286	286	643	6:SP2_SP2_SP2	S[6]	S[6]	C[6,6a]	3:2:	3:2:	3:3:2:	C[6,6a]-3:S[6]-2:	C[5a,6]-3:S[6]-2:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])(S[6]C[5a,6])	S[6](C[5a,6]C[5a,6]S[5a])(S[6]C[6,6a])	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(S[6]S[6])	S[6](C[6,6a]C[6,6a]C[6a])(S[6]C[5a,6]){1|H<1>,1|S<2>,3|C<3>}	S[6](C[5a,6]C[5a,6]S[5a])(S[6]C[6,6a]){1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(S[6]S[6]){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	99.5302	0.000	1	99.5302	0.000	1	99.9936	0.136	5	99.4712	1.746	6	99.4712	1.746	6	99.4712	1.746	6
286	286	643	6:SP2_SP2_SP2	S[6]	S[6]	C[6,6a]	3:2:	3:2:	3:3:2:	C[6,6a]-3:S[6]-2:	C[5a,6]-3:S[6]-2:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])(S[6]C[5a,6])	S[6](C[5a,6]C[5a,6a]C[5a,6])(S[6]C[6,6a])	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(S[6]S[6])	S[6](C[6,6a]C[6,6a]C[6a])(S[6]C[5a,6]){1|H<1>,4|C<3>}	S[6](C[5a,6]C[5a,6a]C[5a,6])(S[6]C[6,6a]){1|S<2>,4|C<3>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(S[6]S[6]){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	100.2678	0.420	2	100.1095	0.092	4	99.9936	0.136	5	99.4712	1.746	6	99.4712	1.746	6	99.4712	1.746	6
286	286	643	6:SP2_SP2_SP2	S[6]	S[6]	C[6,6a]	3:2:	3:2:	3:3:2:	C[6,6a]-3:S[6]-2:	C[5a,6]-3:S[6]-2:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])(S[6]C[5a,6])	S[6](C[5a,6]C[5a,6a]C[5a,6])(S[6]C[6,6a])	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(S[6]S[6])	S[6](C[6,6a]C[6,6a]C[6a])(S[6]C[5a,6]){1|H<1>,4|C<3>}	S[6](C[5a,6]C[5a,6a]C[5a,6])(S[6]C[6,6a]){1|S<2>,4|C<3>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(S[6]S[6]){1|S<2>,2|C<3>,2|H<1>}	99.9511	0.005	2	100.1095	0.092	4	99.9936	0.136	5	99.4712	1.746	6	99.4712	1.746	6	99.4712	1.746	6
286	286	643	6:SP2_SP2_SP2	S[6]	S[6]	C[6,6a]	3:2:	3:2:	3:3:2:	C[6,6a]-3:S[6]-2:	C[6,6a]-3:S[6]-2:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6,6a])	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]N[6a]H)(S[6]S[6])	S[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6,6a]){1|H<1>,1|N<2>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6,6a]){1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]N[6a]H)(S[6]S[6]){1|H<1>,3|C<3>}	96.8594	0.000	1	96.8594	0.000	1	96.8594	0.000	1	99.4712	1.746	6	99.4712	1.746	6	99.4712	1.746	6
286	286	727	6:SP2_SP2_SP2	S[6]	S[6]	C[5a,6]	3:2:	2:3:	3:3:2:	C[5a,6]-3:S[6]-2:	S[6]-2:C[6]-3:	C[5a,6]-3:C[5a]-3:S[6]-2:	S[6](C[5a,6]C[5a,6]C[5a])(S[6]C[6])	S[6](S[6]C[5a,6])(C[6]N[6]C)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]N[5a]C)(S[6]S[6])	S[6](C[5a,6]C[5a,6]C[5a])(S[6]C[6]){1|C<2>,1|C<4>,1|N<3>,2|N<2>}	S[6](S[6]C[5a,6])(C[6]N[6]C){2|C<3>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]N[5a]C)(S[6]S[6]){1|C<3>,1|C<4>}	95.6681	0.000	1	95.6681	0.000	1	95.6681	0.000	1	95.6681	0.000	1	96.8145	0.447	6	96.8145	0.447	6
286	286	727	6:SP2_SP2_SP2	S[6]	S[6]	C[5a,6]	3:2:	3:2:	3:2:2:	C[5a,6]-3:S[6]-2:	C[6,6a]-3:S[6]-2:	C[5a,6]-3:S[5a]-2:S[6]-2:	S[6](C[5a,6]C[5a,6]S[5a])(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])(S[6]C[5a,6])	C[5a,6](C[5a,6]C[6,6a]N[5a])(S[5a]C[5a])(S[6]S[6])	S[6](C[5a,6]C[5a,6]S[5a])(S[6]C[6,6a]){1|N<2>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(S[6]C[5a,6]){1|H<1>,1|S<2>,3|C<3>}	C[5a,6](C[5a,6]C[6,6a]N[5a])(S[5a]C[5a])(S[6]S[6]){3|C<3>}	96.3524	0.000	1	96.3524	0.000	1	96.3524	0.000	1	96.3524	0.000	1	96.8145	0.447	6	96.8145	0.447	6
286	286	727	6:SP2_SP2_SP2	S[6]	S[6]	C[5a,6]	3:2:	3:2:	3:3:2:	C[5a,6]-3:S[6]-2:	C[6,6a]-3:S[6]-2:	C[5a,6a]-3:C[5a,6]-3:S[6]-2:	S[6](C[5a,6]C[5a,6a]C[5a,6])(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])(S[6]C[5a,6])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]S[5a])(S[6]S[6])	S[6](C[5a,6]C[5a,6a]C[5a,6])(S[6]C[6,6a]){1|S<2>,4|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(S[6]C[5a,6]){1|H<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]S[5a])(S[6]S[6]){1|H<1>,4|C<3>}	97.2166	0.140	4	97.2166	0.019	4	97.2166	0.019	4	97.2166	0.019	4	96.8145	0.447	6	96.8145	0.447	6
286	286	762	6:SP2_SP2_SP2	S[6]	S[6]	C[3x6]	3:2:	3:2:	4:3:2:	C[3x6]-3:S[6]-2:	C[3x6]-3:S[6]-2:	C[3x6]-4:C[3x6]-3:S[6]-2:	S[6](C[3x6]C[3x6]2)(S[6]C[3x6])	S[6](C[3x6]C[3x6]2)(S[6]C[3x6])	C[3x6](C[3x6]C[6,6]2H)(C[3x6]C[3x6]2)(S[6]S[6])	S[6](C[3x6]C[3x6]2)(S[6]C[3x6]){1|C<3>,1|H<1>,4|C<4>}	S[6](C[3x6]C[3x6]2)(S[6]C[3x6]){1|C<3>,1|H<1>,4|C<4>}	C[3x6](C[3x6]C[6,6]2H)(C[3x6]C[3x6]2)(S[6]S[6]){1|C<3>,3|C<4>,5|H<1>}	98.8256	0.000	1	98.8256	0.000	1	98.8256	0.000	1	98.8256	0.000	1	98.8256	0.000	1	98.4805	0.238	2
286	286	762	6:SP2_SP2_SP2	S[6]	S[6]	C[6]	2:3:	3:2:	2:2:2:	S[6]-2:C[6]-3:	C[5a,6]-3:S[6]-2:	N[6]-2:S[6]-2:C-2:	S[6](S[6]C[5a,6])(C[6]N[6]C)	S[6](C[5a,6]C[5a,6]C[5a])(S[6]C[6])	C[6](N[6]C[5a,6])(S[6]S[6])(CN)	S[6](S[6]C[5a,6])(C[6]N[6]C){2|C<3>}	S[6](C[5a,6]C[5a,6]C[5a])(S[6]C[6]){1|C<2>,1|C<4>,1|N<3>,2|N<2>}	C[6](N[6]C[5a,6])(S[6]S[6])(CN){1|C<3>,1|N<3>}	98.1354	0.000	1	98.1354	0.000	1	98.1354	0.000	1	98.1354	0.000	1	98.1354	0.000	1	98.4805	0.238	2
286	286	762	6:SP2_SP2_SP3	S[6]	S[6]	C[6]	3:2:	4:2:	3:2:1:	C[6]-3:S[6]-2:	C[6]-4:S[6]-2:	C[6]-3:S[6]-2:H-1:	S[6](C[6]C[6]H)(S[6]C[6])	S[6](C[6]C[6]S[6]H)(S[6]C[6])	C[6](C[6]S[6]H)(S[6]S[6])(H)	S[6](C[6]C[6]H)(S[6]C[6]){1|C<4>,1|S<2>,2|H<1>}	S[6](C[6]C[6]S[6]H)(S[6]C[6]){1|C<3>,2|H<1>,2|S<2>}	C[6](C[6]S[6]H)(S[6]S[6])(H){1|C<4>}	100.4680	0.000	1	100.4680	0.000	1	100.4680	0.000	1	100.4680	0.000	1	100.4680	0.000	1	100.4680	0.000	1
286	286	856	6:SP3_SP2_SP3	S[6]	S[6]	N[6]	3:2:	2:2:	4:2:4:	N[6]-3:S[6]-2:	S[6]-2:S[6]-2:	P[6]-4:S[6]-2:C-4:	S[6](N[6]P[6]C)(S[6]S[6])	S[6](S[6]N[6])2	N[6](P[6]C[6a]N[6]O)(S[6]S[6])(CC3)	S[6](N[6]P[6]C)(S[6]S[6]){1|C<3>,1|N<3>,1|O<1>}	S[6](S[6]N[6])2{1|P<4>,2|C<4>}	N[6](P[6]C[6a]N[6]O)(S[6]S[6])(CC3){1|C<4>,1|S<2>,2|C<3>}	103.6960	0.000	1	103.6960	0.000	1	103.6960	0.000	1	103.6960	0.000	1	103.6960	0.000	1	103.6960	0.000	1
286	286	856	6:SP3_SP3_SP3	S[6]	S[6]	N[6]	3:2:	2:2:	4:2:4:	N[6]-3:S[6]-2:	S[6]-2:S[6]-2:	P[6]-4:S[6]-2:C-4:	S[6](N[6]P[6]C)(S[6]S[6])	S[6](S[6]N[6])2	N[6](P[6]C[6a]N[6]O)(S[6]S[6])(CC3)	S[6](N[6]P[6]C)(S[6]S[6]){1|C<3>,1|N<3>,1|O<1>}	S[6](S[6]N[6])2{1|P<4>,2|C<4>}	N[6](P[6]C[6a]N[6]O)(S[6]S[6])(CC3){1|C<4>,1|S<2>,2|C<3>}	102.9570	0.000	1	102.9570	0.000	1	102.9570	0.000	1	102.9570	0.000	1	102.9570	0.000	1	102.9570	0.000	1
286	362	762	6:SP2_SP2_SPD6	S[6]	C[5x3,5x5,21x6]	C[6]	6:3:	6:6:6:6:6:2:	2:3:1:	C[5x3,5x5,21x6]-6:C[6]-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,21x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:S[6]-2:	S[6]-2:C[6]-3:H-1:	S[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]H)	C[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)2(C[5x3,5x5,21x6]B[5x3,5x5,20x6]4S[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(S[6]C[6])	C[6](S[6]C[5x3,5x5,21x6])(C[6]S[6]C)(H)	S[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]H){1|C<3>,1|S<2>,4|H<1>,5|B<6>}	C[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)2(C[5x3,5x5,21x6]B[5x3,5x5,20x6]4S[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(S[6]C[6]){1|B<6>,1|C<3>,6|H<1>}	C[6](S[6]C[5x3,5x5,21x6])(C[6]S[6]C)(H){1|C<6>,4|B<6>}	103.5110	0.000	2	103.5110	0.000	2	103.5110	0.000	2	103.5110	0.000	2	103.3835	0.022	4	103.3835	0.022	4
286	362	762	6:SP2_SP2_SPD6	S[6]	C[5x3,5x5,21x6]	C[6]	6:3:	6:6:6:6:6:2:	2:3:3:	C[5x3,5x5,21x6]-6:C[6]-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,21x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:S[6]-2:	S[6]-2:C[6]-3:C-3:	S[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]C)	C[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)2(C[5x3,5x5,21x6]B[5x3,5x5,20x6]4S[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(S[6]C[6])	C[6](S[6]C[5x3,5x5,21x6])(C[6]S[6]H)(CC[5]O)	S[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]C){1|S<2>,5|B<6>,5|H<1>}	C[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)2(C[5x3,5x5,21x6]B[5x3,5x5,20x6]4S[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(S[6]C[6]){1|B<6>,2|C<3>,5|H<1>}	C[6](S[6]C[5x3,5x5,21x6])(C[6]S[6]H)(CC[5]O){1|C<6>,4|B<6>}	103.2560	0.000	2	103.2560	0.000	2	103.2560	0.000	2	103.2560	0.000	2	103.3835	0.022	4	103.3835	0.022	4
286	362	818	6:SP2_SP2_SPD6	S[6]	C[3,4,6]	C[5,6]	6:3:	6:2:2:2:2:1:	3:2:2:	C[3,4,6]-6:C[5,6]-3:	C[3,4,6]-6:H[4]-2:S[6]-2:H[3]-2:H[3]-2:H-1:	C[5,6]-3:S[6]-2:S[5]-2:	S[6](C[3,4,6]C[3,4,6]H[3]2H[4]H)(C[5,6]C[5,6]S[5])	C[3,4,6](C[3,4,6]C[3,4]H[3]S[6]HH)(H[4]C[3,4])(S[6]C[5,6])(H[3]H[3])2(H)	C[5,6](C[5,6]S[5]S[6])(S[6]C[3,4,6])(S[5]C[5])	S[6](C[3,4,6]C[3,4,6]H[3]2H[4]H)(C[5,6]C[5,6]S[5]){1|C<3>,1|C<5>,1|H<2>,2|H<1>,2|S<2>}	C[3,4,6](C[3,4,6]C[3,4]H[3]S[6]HH)(H[4]C[3,4])(S[6]C[5,6])(H[3]H[3])2(H){1|C<3>,1|S<2>,2|H<1>}	C[5,6](C[5,6]S[5]S[6])(S[6]C[3,4,6])(S[5]C[5]){1|C<3>,1|C<6>,1|H<1>,3|H<2>}	102.0520	0.000	1	102.0520	0.000	1	102.0520	0.000	1	102.0520	0.000	1	101.3095	1.103	2	101.3095	1.103	2
286	362	818	6:SP2_SP2_SPD6	S[6]	C[3,4,6]	C[5,6]	6:3:	6:5:2:2:1:1:	3:2:2:	C[3,4,6]-6:C[5,6]-3:	C[3,4,6]-6:C[3,4]-5:H[3]-2:S[6]-2:H-1:H-1:	C[5,6]-3:S[6]-2:S[5]-2:	S[6](C[3,4,6]C[3,4,6]C[3,4]H[3]HH)(C[5,6]C[5,6]S[5])	C[3,4,6](C[3,4,6]H[3]2H[4]S[6]H)(C[3,4]H[3]H[4]HH)(H[3]C[3,4])(S[6]C[5,6])(H)2	C[5,6](C[5,6]S[5]S[6])(S[6]C[3,4,6])(S[5]C[5])	S[6](C[3,4,6]C[3,4,6]C[3,4]H[3]HH)(C[5,6]C[5,6]S[5]){1|C<3>,2|S<2>,3|H<1>,3|H<2>}	C[3,4,6](C[3,4,6]H[3]2H[4]S[6]H)(C[3,4]H[3]H[4]HH)(H[3]C[3,4])(S[6]C[5,6])(H)2{1|C<3>,1|S<2>}	C[5,6](C[5,6]S[5]S[6])(S[6]C[3,4,6])(S[5]C[5]){1|C<3>,1|C<5>,1|C<6>,1|H<2>,2|H<1>}	100.5670	0.000	1	100.5670	0.000	1	100.5670	0.000	1	100.5670	0.000	1	101.3095	1.103	2	101.3095	1.103	2
286	466	466	6:SP3_SP3_SP3	S[6,6]	C[3x6]	C[3x6]	4:4:	4:2:2:1:	4:2:2:1:	C[3x6]-4:C[3x6]-4:	C[6,6]-4:S[6,6]-2:S[6,6]-2:H-1:	C[6,6]-4:S[6,6]-2:S[6,6]-2:H-1:	S[6,6](C[3x6]C[6,6]S[6,6]H)2	C[3x6](C[6,6]C[3x6]HH)(S[6,6]C[3x6])2(H)	C[3x6](C[6,6]C[3x6]HH)(S[6,6]C[3x6])2(H)	S[6,6](C[3x6]C[6,6]S[6,6]H)2{2|C<4>,4|H<1>}	C[3x6](C[6,6]C[3x6]HH)(S[6,6]C[3x6])2(H){1|C<3>,1|S<2>,2|C<4>,2|H<1>}	C[3x6](C[6,6]C[3x6]HH)(S[6,6]C[3x6])2(H){1|C<3>,1|S<2>,2|C<4>,2|H<1>}	97.2139	0.258	6	97.2139	0.067	6	97.2139	0.067	6	97.2139	0.067	6	97.2139	0.067	6	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6,6]	C[6,6]	C[6,6]	4:4:	3:4:2:1:	3:4:2:1:	C[6,6]-4:C[6,6]-4:	C[6,6a]-3:C[6]-4:S[6,6]-2:H-1:	C[6,6a]-3:C[6]-4:S[6,6]-2:H-1:	S[6,6](C[6,6]C[6,6a]C[6]H)2	C[6,6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]BrH)(S[6,6]C[6,6])(H)	C[6,6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]BrH)(S[6,6]C[6,6])(H)	S[6,6](C[6,6]C[6,6a]C[6]H)2{2|Br<1>,2|C<3>,2|H<1>,2|N<2>}	C[6,6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]BrH)(S[6,6]C[6,6])(H){1|C<4>,1|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]BrH)(S[6,6]C[6,6])(H){1|C<4>,1|H<1>,4|C<3>}	93.2448	0.573	7	93.2448	0.328	7	93.3359	0.348	8	93.3359	0.348	8	93.3359	0.348	8	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6,6]	C[6,6]	C[6,6]	4:4:	3:4:2:1:	3:4:2:1:	C[6,6]-4:C[6,6]-4:	C[6,6a]-3:C[6]-4:S[6,6]-2:H-1:	C[6,6a]-3:C[6]-4:S[6,6]-2:H-1:	S[6,6](C[6,6]C[6,6a]C[6]H)2	C[6,6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]HH)(S[6,6]C[6,6])(H)	C[6,6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]HH)(S[6,6]C[6,6])(H)	S[6,6](C[6,6]C[6,6a]C[6]H)2{2|C<3>,2|N<2>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]HH)(S[6,6]C[6,6])(H){1|C<4>,1|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]HH)(S[6,6]C[6,6])(H){1|C<4>,1|H<1>,4|C<3>}	93.9733	0.000	1	93.9733	0.000	1	93.3359	0.348	8	93.3359	0.348	8	93.3359	0.348	8	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[3x6]	C[3x6]	4:4:	4:4:2:2:	4:4:2:2:	C[3x6]-4:C[3x6]-4:	C[3x6]-4:C[3x6]-4:S[6]-2:S[6]-2:	C[3x6]-4:C[3x6]-4:S[6]-2:S[6]-2:	S[6](C[3x6]C[3x6]2S[6])2	C[3x6](C[3x6]C[6,6]2H)2(S[6]C[3x6])2	C[3x6](C[3x6]C[6,6]2H)2(S[6]C[3x6])2	S[6](C[3x6]C[3x6]2S[6])2{4|H<1>,9|C<4>}	C[3x6](C[3x6]C[6,6]2H)2(S[6]C[3x6])2{1|S<2>,6|C<4>,8|H<1>}	C[3x6](C[3x6]C[6,6]2H)2(S[6]C[3x6])2{1|S<2>,6|C<4>,8|H<1>}	108.7350	0.160	3	108.7350	0.026	3	108.7350	0.026	3	108.7350	0.026	3	108.7350	0.026	3	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6,6]	C[6]	4:4:	2:4:2:1:	4:2:4:4:	C[6,6]-4:C[6]-4:	O[6,6]-2:C[6]-4:S[6]-2:H-1:	C[6]-4:S[6]-2:C-4:C-4:	S[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]CC)	C[6,6](O[6,6]C[6,6])(C[6]C[6]HH)(S[6]C[6])(H)	C[6](C[6]C[6,6]HH)(S[6]C[6,6])(CF3)2	S[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]CC){2|C<4>,4|H<1>}	C[6,6](O[6,6]C[6,6])(C[6]C[6]HH)(S[6]C[6])(H){1|H<1>,1|S<2>,5|C<4>}	C[6](C[6]C[6,6]HH)(S[6]C[6,6])(CF3)2{1|C<4>,1|O<2>,1|S<2>,2|H<1>}	98.4002	0.135	2	98.4002	0.018	2	98.4002	0.018	2	98.4002	0.018	2	101.2337	4.383	50	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6,6]	C[6]	4:4:	3:3:2:1:	4:2:1:1:	C[6,6]-4:C[6]-4:	N[6,6]-3:C[6]-3:S[6]-2:H-1:	C[6]-4:S[6]-2:H-1:H-1:	S[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)	C[6,6](N[6,6]C[6]2)(C[6]N[6]O)(S[6]C[6])(H)	C[6](C[6]C[6]HH)(S[6]C[6,6])(H)2	S[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6,6](N[6,6]C[6]2)(C[6]N[6]O)(S[6]C[6])(H){1|O<1>,3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(S[6]C[6,6])(H)2{1|C<3>,1|N<3>,3|H<1>}	96.7081	1.110	3	96.7081	1.232	3	96.7081	1.232	3	96.7081	1.232	3	101.2337	4.383	50	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6,6]	C[6]	4:4:	3:4:2:2:	4:2:1:1:	C[6,6]-4:C[6]-4:	C[6,6a]-3:C[6]-4:S[6]-2:S[6]-2:	C[6]-4:S[6]-2:H-1:H-1:	S[6](C[6,6]C[6,6a]C[6]S[6])(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(S[6]C[6])2	C[6](C[6]C[6]HH)(S[6]C[6,6])(H)2	S[6](C[6,6]C[6,6a]C[6]S[6])(C[6]C[6]HH){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(S[6]C[6])2{2|C<3>,2|C<4>,7|H<1>}	C[6](C[6]C[6]HH)(S[6]C[6,6])(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	101.1625	1.166	2	101.1625	1.360	2	101.1625	1.360	2	101.1625	1.360	2	101.2337	4.383	50	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6,6]	C[6]	4:4:	4:2:2:1:	4:2:1:1:	C[6,6]-4:C[6]-4:	C[6,6]-4:O[6]-2:S[6]-2:H-1:	C[6]-4:S[6]-2:H-1:H-1:	S[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)	C[6,6](C[6,6]C[6]S[6]H)(O[6]C[6])(S[6]C[6])(H)	C[6](C[6]S[6]HH)(S[6]C[6,6])(H)2	S[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH){1|S<2>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]S[6]H)(O[6]C[6])(S[6]C[6])(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]S[6]HH)(S[6]C[6,6])(H)2{1|C<4>,1|H<1>,1|O<2>}	99.9402	0.000	1	99.9402	0.000	1	99.9402	0.000	1	99.9402	0.000	1	101.2337	4.383	50	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6,6]	C[6]	4:4:	4:3:2:1:	3:4:2:1:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6]-3:S[6]-2:H-1:	C[6a]-3:C[6]-4:S[6]-2:H-1:	S[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6a]H)(S[6]C[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(S[6]C[6,6])(H)	S[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H){2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6a]H)(S[6]C[6])(H){3|C<3>,3|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(S[6]C[6,6])(H){1|C<4>,3|C<3>,5|H<1>}	103.0945	0.940	2	103.0945	0.883	2	103.0945	0.883	2	103.0945	0.883	2	101.2337	4.383	50	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6,6]	C[6]	4:4:	4:3:3:2:	2:3:1:1:	C[6,6]-4:C[6]-4:	C[6]-4:C[6]-3:C[6]-3:S[6]-2:	S[6]-2:C[6]-3:H-1:H-1:	S[6](C[6,6]C[6]3)(C[6]C[6]HH)	C[6,6](C[6]C[6]CH)(C[6]O[6]O)2(S[6]C[6])	C[6](S[6]C[6,6])(C[6]C[6]H)(H)2	S[6](C[6,6]C[6]3)(C[6]C[6]HH){2|C<3>,2|H<1>,2|O<1>,2|O<2>}	C[6,6](C[6]C[6]CH)(C[6]O[6]O)2(S[6]C[6]){1|C<3>,1|C<4>,3|H<1>}	C[6](S[6]C[6,6])(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,2|C<3>}	99.8611	0.000	1	99.8611	0.000	1	99.5830	0.155	2	99.5830	0.155	2	101.2337	4.383	50	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6,6]	C[6]	4:4:	4:3:3:2:	2:3:1:1:	C[6,6]-4:C[6]-4:	C[6]-4:C[6]-3:C[6]-3:S[6]-2:	S[6]-2:C[6]-3:H-1:H-1:	S[6](C[6,6]C[6]3)(C[6]C[6]HH)	C[6,6](C[6]C[6]HH)(C[6]O[6]O)2(S[6]C[6])	C[6](S[6]C[6,6])(C[6]C[6]C)(H)2	S[6](C[6,6]C[6]3)(C[6]C[6]HH){1|C<3>,1|C<4>,2|H<1>,2|O<1>,2|O<2>}	C[6,6](C[6]C[6]HH)(C[6]O[6]O)2(S[6]C[6]){1|C<3>,1|C<4>,3|H<1>}	C[6](S[6]C[6,6])(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	99.3049	0.000	1	99.3049	0.000	1	99.5830	0.155	2	99.5830	0.155	2	101.2337	4.383	50	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6,6]	C[6]	4:4:	4:4:2:1:	3:4:2:1:	C[6,6]-4:C[6]-4:	C[6]-4:C[6,6]-4:S[6]-2:H-1:	C[6a]-3:C[6]-4:S[6]-2:H-1:	S[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2H)(S[6]C[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(S[6]C[6,6])(H)	S[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H){2|C<4>,3|C<3>,5|H<1>}	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2H)(S[6]C[6])(H){3|C<3>,3|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(S[6]C[6,6])(H){2|C<3>,2|C<4>,5|H<1>}	103.1460	0.000	1	103.1460	0.000	1	103.1460	0.000	1	103.1460	0.000	1	101.2337	4.383	50	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6,6]	C[6]	4:4:	4:4:2:1:	4:2:1:1:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6]-4:S[6]-2:H-1:	C[5,6]-4:S[6]-2:H-1:H-1:	S[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(S[6]C[6])(H)	C[6](C[5,6]C[5,6]N[5]H)(S[6]C[6,6])(H)2	S[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH){1|N<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(S[6]C[6])(H){2|C<4>,2|O<2>,6|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(S[6]C[6,6])(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	95.2916	0.000	1	95.2916	0.000	1	95.2916	0.000	1	98.3188	6.165	4	101.2337	4.383	50	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6,6]	C[6]	4:4:	4:4:2:1:	4:2:1:1:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6]-4:S[6]-2:H-1:	C[6]-4:S[6]-2:H-1:H-1:	S[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CH)(S[6]C[6])(H)	C[6](C[6]C[6,6]CN)(S[6]C[6,6])(H)2	S[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CH)(S[6]C[6])(H){1|O<1>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]CN)(S[6]C[6,6])(H)2{2|H<1>,3|C<4>}	101.1450	0.000	1	101.1450	0.000	1	99.3279	3.138	3	98.3188	6.165	4	101.2337	4.383	50	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6,6]	C[6]	4:4:	4:4:2:1:	4:2:1:1:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6]-4:S[6]-2:H-1:	C[6]-4:S[6]-2:H-1:H-1:	S[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(S[6]C[6])(H)	C[6](C[6]C[6]HH)(S[6]C[6,6])(H)2	S[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(S[6]C[6])(H){1|O<2>,2|C<4>,7|H<1>}	C[6](C[6]C[6]HH)(S[6]C[6,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	97.6062	0.000	1	97.6062	0.000	1	99.3279	3.138	3	98.3188	6.165	4	101.2337	4.383	50	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6,6]	C[6]	4:4:	4:4:2:1:	4:2:1:1:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6]-4:S[6]-2:H-1:	C[6]-4:S[6]-2:H-1:H-1:	S[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)	C[6,6](C[6,6]O[6]S[6]H)(C[6]C[6]HO)(S[6]C[6])(H)	C[6](C[6]S[6]HH)(S[6]C[6,6])(H)2	S[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH){1|C<4>,1|S<2>,2|O<2>,4|H<1>}	C[6,6](C[6,6]O[6]S[6]H)(C[6]C[6]HO)(S[6]C[6])(H){1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]S[6]HH)(S[6]C[6,6])(H)2{1|H<1>,2|C<4>}	99.2325	0.000	1	99.2325	0.000	1	99.3279	3.138	3	98.3188	6.165	4	101.2337	4.383	50	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6,6]	C[6]	4:4:	4:4:2:2:	4:2:1:1:	C[6,6]-4:C[6]-4:	C[5,6]-4:C[6]-4:S[6]-2:S[6]-2:	C[6]-4:S[6]-2:H-1:H-1:	S[6](C[6,6]C[5,6]C[6]S[6])(C[6]C[6]HH)	C[6,6](C[5,6]C[5,6]O[5,6]H)(C[6]C[6]HH)(S[6]C[6])2	C[6](C[6]C[6]HH)(S[6]C[6,6])(H)2	S[6](C[6,6]C[5,6]C[6]S[6])(C[6]C[6]HH){1|O<2>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]O[5,6]H)(C[6]C[6]HH)(S[6]C[6])2{4|C<4>,7|H<1>}	C[6](C[6]C[6]HH)(S[6]C[6,6])(H)2{1|S<2>,2|C<4>,2|H<1>}	101.4504	0.933	7	101.4504	0.871	7	101.4504	0.871	7	102.1833	1.215	29	101.2337	4.383	50	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6,6]	C[6]	4:4:	4:4:2:2:	4:2:1:1:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6]-4:S[6]-2:S[6]-2:	C[6]-4:S[6]-2:H-1:H-1:	S[6](C[6,6]C[6,6]C[6]S[6])(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(S[6]C[6])2	C[6](C[6]C[6]HH)(S[6]C[6,6])(H)2	S[6](C[6,6]C[6,6]C[6]S[6])(C[6]C[6]HH){4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(S[6]C[6])2{2|O<2>,3|C<4>,8|H<1>}	C[6](C[6]C[6]HH)(S[6]C[6,6])(H)2{1|S<2>,2|C<4>,2|H<1>}	101.5390	0.666	2	101.5390	0.444	2	101.4495	0.451	4	102.1833	1.215	29	101.2337	4.383	50	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6,6]	C[6]	4:4:	4:4:2:2:	4:2:1:1:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6]-4:S[6]-2:S[6]-2:	C[6]-4:S[6]-2:H-1:H-1:	S[6](C[6,6]C[6,6]C[6]S[6])(C[6]C[6]HH)	C[6,6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(S[6]C[6])2	C[6](C[6]C[6]HH)(S[6]C[6,6])(H)2	S[6](C[6,6]C[6,6]C[6]S[6])(C[6]C[6]HH){1|N<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(S[6]C[6])2{1|C<2>,4|C<4>,7|H<1>}	C[6](C[6]C[6]HH)(S[6]C[6,6])(H)2{1|S<2>,2|C<4>,2|H<1>}	101.3600	0.936	2	101.3600	0.876	2	101.4495	0.451	4	102.1833	1.215	29	101.2337	4.383	50	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6,6]	C[6]	4:4:	4:4:2:2:	4:2:1:1:	C[6,6]-4:C[6]-4:	C[6]-4:C[6]-4:S[6]-2:S[6]-2:	C[6]-4:S[6]-2:H-1:H-1:	S[6](C[6,6]C[6]2S[6])(C[6]C[6]HH)	C[6,6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(S[6]C[6])2	C[6](C[6]C[6]HH)(S[6]C[6,6])(H)2	S[6](C[6,6]C[6]2S[6])(C[6]C[6]HH){3|C<4>,6|H<1>}	C[6,6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(S[6]C[6])2{1|C<3>,1|N<3>,2|C<4>,6|H<1>}	C[6](C[6]C[6]HH)(S[6]C[6,6])(H)2{1|S<2>,2|C<4>,2|H<1>}	102.3885	0.046	4	102.2923	0.030	6	102.6314	1.053	18	102.1833	1.215	29	101.2337	4.383	50	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6,6]	C[6]	4:4:	4:4:2:2:	4:2:1:1:	C[6,6]-4:C[6]-4:	C[6]-4:C[6]-4:S[6]-2:S[6]-2:	C[6]-4:S[6]-2:H-1:H-1:	S[6](C[6,6]C[6]2S[6])(C[6]C[6]HH)	C[6,6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(S[6]C[6])2	C[6](C[6]C[6]HH)(S[6]C[6,6])(H)2	S[6](C[6,6]C[6]2S[6])(C[6]C[6]HH){3|C<4>,6|H<1>}	C[6,6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(S[6]C[6])2{1|N<3>,3|C<4>,6|H<1>}	C[6](C[6]C[6]HH)(S[6]C[6,6])(H)2{1|S<2>,2|C<4>,2|H<1>}	102.1000	0.175	2	102.2923	0.030	6	102.6314	1.053	18	102.1833	1.215	29	101.2337	4.383	50	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6,6]	C[6]	4:4:	4:4:2:2:	4:2:1:1:	C[6,6]-4:C[6]-4:	C[6]-4:C[6]-4:S[6]-2:S[6]-2:	C[6]-4:S[6]-2:H-1:H-1:	S[6](C[6,6]C[6]2S[6])(C[6]C[6]HH)	C[6,6](C[6]C[6,6]HH)(C[6]C[6]HH)(S[6]C[6])2	C[6](C[6]C[6]HH)(S[6]C[6,6])(H)2	S[6](C[6,6]C[6]2S[6])(C[6]C[6]HH){3|C<4>,6|H<1>}	C[6,6](C[6]C[6,6]HH)(C[6]C[6]HH)(S[6]C[6])2{2|O<2>,3|C<4>,5|H<1>}	C[6](C[6]C[6]HH)(S[6]C[6,6])(H)2{1|S<2>,2|C<4>,2|H<1>}	101.7348	0.702	6	101.7348	0.493	6	102.6314	1.053	18	102.1833	1.215	29	101.2337	4.383	50	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6,6]	C[6]	4:4:	4:4:2:2:	4:2:1:1:	C[6,6]-4:C[6]-4:	C[6]-4:C[6]-4:S[6]-2:S[6]-2:	C[6]-4:S[6]-2:H-1:H-1:	S[6](C[6,6]C[6]2S[6])(C[6]C[6]HH)	C[6,6](C[6]C[6]HH)(C[6]O[6]HO)(S[6]C[6])2	C[6](C[6]C[6]HH)(S[6]C[6,6])(H)2	S[6](C[6,6]C[6]2S[6])(C[6]C[6]HH){2|C<4>,2|O<2>,5|H<1>}	C[6,6](C[6]C[6]HH)(C[6]O[6]HO)(S[6]C[6])2{2|C<4>,6|H<1>}	C[6](C[6]C[6]HH)(S[6]C[6,6])(H)2{1|S<2>,2|C<4>,2|H<1>}	103.8672	0.352	6	103.8672	0.124	6	102.6314	1.053	18	102.1833	1.215	29	101.2337	4.383	50	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6,6]	C[6]	4:4:	4:4:3:2:	4:2:1:1:	C[6,6]-4:C[6]-4:	C[6]-4:C[6]-4:S[6]-3:S[6]-2:	C[6]-4:S[6]-2:H-1:H-1:	S[6](C[6,6]C[6]2S[6])(C[6]C[6]HH)	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)(S[6]C[6]O)(S[6]C[6])	C[6](C[6]C[6]HH)(S[6]C[6,6])(H)2	S[6](C[6,6]C[6]2S[6])(C[6]C[6]HH){1|O<1>,4|C<4>,5|H<1>}	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)(S[6]C[6]O)(S[6]C[6]){3|C<4>,7|H<1>}	C[6](C[6]C[6]HH)(S[6]C[6,6])(H)2{1|S<3>,2|C<4>,2|H<1>}	101.4490	0.000	1	101.8502	0.162	4	101.8502	0.162	4	101.8502	0.162	4	101.2337	4.383	50	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6,6]	C[6]	4:4:	4:4:3:2:	4:2:1:1:	C[6,6]-4:C[6]-4:	C[6]-4:C[6]-4:S[6]-3:S[6]-2:	C[6]-4:S[6]-2:H-1:H-1:	S[6](C[6,6]C[6]2S[6])(C[6]C[6]HH)	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)(S[6]C[6]O)(S[6]C[6])	C[6](C[6]C[6]HH)(S[6]C[6,6])(H)2	S[6](C[6,6]C[6]2S[6])(C[6]C[6]HH){1|O<1>,4|C<4>,5|H<1>}	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)(S[6]C[6]O)(S[6]C[6]){4|C<4>,6|H<1>}	C[6](C[6]C[6]HH)(S[6]C[6,6])(H)2{1|H<1>,1|S<3>,3|C<4>}	101.9840	0.368	3	101.8502	0.162	4	101.8502	0.162	4	101.8502	0.162	4	101.2337	4.383	50	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6]	C[6,6]	4:4:	4:2:1:1:	2:2:2:2:	C[6,6]-4:C[6]-4:	C[6]-4:S[6]-2:H-1:H-1:	O[6]-2:O[6]-2:S[6]-2:S[6]-2:	S[6](C[6,6]O[6]2S[6])(C[6]C[6]HH)	C[6](C[6]C[6]HH)(S[6]C[6,6])(H)2	C[6,6](O[6]C[6])2(S[6]C[6])2	S[6](C[6,6]O[6]2S[6])(C[6]C[6]HH){2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(S[6]C[6,6])(H)2{1|S<2>,2|H<1>,2|O<2>}	C[6,6](O[6]C[6])2(S[6]C[6])2{2|C<4>,8|H<1>}	98.8246	0.327	2	98.8246	0.107	2	98.8246	0.107	2	98.8246	0.107	2	101.5830	3.517	8	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6]	C[6,6]	4:4:	4:2:1:1:	4:4:2:2:	C[6,6]-4:C[6]-4:	C[6,6]-4:S[6]-2:H-1:H-1:	C[6]-4:C[6]-4:S[6]-2:S[6]-2:	S[6](C[6,6]C[6]2S[6])(C[6]C[6,6]HH)	C[6](C[6,6]C[6]3)(S[6]C[6,6])(H)2	C[6,6](C[6]C[6]HH)2(S[6]C[6])2	S[6](C[6,6]C[6]2S[6])(C[6]C[6,6]HH){4|H<1>,5|C<4>}	C[6](C[6,6]C[6]3)(S[6]C[6,6])(H)2{2|C<4>,3|S<2>,6|H<1>}	C[6,6](C[6]C[6]HH)2(S[6]C[6])2{2|C<4>,8|H<1>}	101.8710	0.458	2	101.8710	0.210	2	101.8710	0.210	2	102.5025	0.845	6	101.5830	3.517	8	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6]	C[6,6]	4:4:	4:2:1:1:	4:4:2:2:	C[6,6]-4:C[6]-4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:C[6]-4:S[6]-2:S[6]-2:	S[6](C[6,6]C[6]2S[6])(C[6]C[6]HH)	C[6](C[6]C[6]HH)(S[6]C[6,6])(H)2	C[6,6](C[6]C[6]HH)2(S[6]C[6])2	S[6](C[6,6]C[6]2S[6])(C[6]C[6]HH){3|C<4>,6|H<1>}	C[6](C[6]C[6]HH)(S[6]C[6,6])(H)2{1|S<2>,2|C<4>,2|H<1>}	C[6,6](C[6]C[6]HH)2(S[6]C[6])2{3|C<4>,7|H<1>}	102.5785	1.609	2	102.8183	0.939	4	102.8183	0.939	4	102.5025	0.845	6	101.5830	3.517	8	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6]	C[6,6]	4:4:	4:2:1:1:	4:4:2:2:	C[6,6]-4:C[6]-4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:C[6]-4:S[6]-2:S[6]-2:	S[6](C[6,6]C[6]2S[6])(C[6]C[6]HH)	C[6](C[6]C[6]HH)(S[6]C[6,6])(H)2	C[6,6](C[6]C[6]HH)2(S[6]C[6])2	S[6](C[6,6]C[6]2S[6])(C[6]C[6]HH){3|C<4>,6|H<1>}	C[6](C[6]C[6]HH)(S[6]C[6,6])(H)2{1|S<2>,2|C<4>,2|H<1>}	C[6,6](C[6]C[6]HH)2(S[6]C[6])2{4|C<4>,6|H<1>}	103.0580	0.024	2	102.8183	0.939	4	102.8183	0.939	4	102.5025	0.845	6	101.5830	3.517	8	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6]	C[6]	4:4:	2:2:4:1:	2:2:4:1:	C[6]-4:C[6]-4:	S[6]-2:S[6]-2:C-4:H-1:	S[6]-2:S[6]-2:C-4:H-1:	S[6](C[6]S[6]CH)2	C[6](S[6]C[6])2(CCHH)(H)	C[6](S[6]C[6])2(CCHH)(H)	S[6](C[6]S[6]CH)2{1|C<4>}	C[6](S[6]C[6])2(CCHH)(H){1|S<2>,2|C<4>,2|H<1>}	C[6](S[6]C[6])2(CCHH)(H){1|S<2>,2|C<4>,2|H<1>}	99.9323	1.149	6	99.9323	1.320	6	99.9323	1.320	6	99.9323	1.320	6	99.2505	5.444	298	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6]	C[6]	4:4:	3:2:1:1:	3:2:1:1:	C[6]-4:C[6]-4:	C[6,6]-3:S[6]-2:H-1:H-1:	C[6]-3:S[6]-2:H-1:H-1:	S[6](C[6]C[6,6]HH)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(S[6]C[6])(H)2	C[6](C[6]C[6,6]O)(S[6]C[6])(H)2	S[6](C[6]C[6,6]HH)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6,6]C[6,6]N[6])(S[6]C[6])(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]O)(S[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	95.2962	0.000	1	95.5362	0.115	2	95.5362	0.115	2	95.8137	0.289	3	99.2505	5.444	298	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6]	C[6]	4:4:	3:2:1:1:	3:2:1:1:	C[6]-4:C[6]-4:	C[6,6]-3:S[6]-2:H-1:H-1:	C[6]-3:S[6]-2:H-1:H-1:	S[6](C[6]C[6,6]HH)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(S[6]C[6])(H)2	C[6](C[6]C[6,6]O)(S[6]C[6])(H)2	S[6](C[6]C[6,6]HH)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6,6]C[6,6]N[6])(S[6]C[6])(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]O)(S[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	95.7762	0.000	1	95.5362	0.115	2	95.5362	0.115	2	95.8137	0.289	3	99.2505	5.444	298	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6]	C[6]	4:4:	3:2:1:1:	3:2:1:1:	C[6]-4:C[6]-4:	N[6,6]-3:S[6]-2:H-1:H-1:	N[6,6]-3:S[6]-2:H-1:H-1:	S[6](C[6]N[6,6]HH)2	C[6](N[6,6]C[6,6]C[6])(S[6]C[6])(H)2	C[6](N[6,6]C[6,6]C[6])(S[6]C[6])(H)2	S[6](C[6]N[6,6]HH)2{3|C<4>}	C[6](N[6,6]C[6,6]C[6])(S[6]C[6])(H)2{1|N<3>,1|S<2>,6|H<1>}	C[6](N[6,6]C[6,6]C[6])(S[6]C[6])(H)2{1|N<3>,1|S<2>,6|H<1>}	96.3686	0.000	1	96.3686	0.000	1	96.3686	0.000	1	95.8137	0.289	3	99.2505	5.444	298	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6]	C[6]	4:4:	3:2:1:1:	3:2:2:2:	C[6]-4:C[6]-4:	C[6,6a]-3:S[6]-2:H-1:H-1:	C[6]-3:S[6]-2:O-2:S-2:	S[6](C[6]C[6,6a]HH)(C[6]C[6]OS)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(H)2	C[6](C[6]C[6,6a]N)(S[6]C[6])(OC)(SC)	S[6](C[6]C[6,6a]HH)(C[6]C[6]OS){1|N<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(H)2{1|H<1>,1|O<2>,1|S<2>,3|C<3>}	C[6](C[6]C[6,6a]N)(S[6]C[6])(OC)(SC){2|C<3>,2|H<1>}	101.0020	0.000	1	101.0020	0.000	1	101.0020	0.000	1	101.0020	0.000	1	99.2505	5.444	298	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6]	C[6]	4:4:	3:2:1:1:	4:2:1:1:	C[6]-4:C[6]-4:	C[5a,6]-3:S[6]-2:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	S[6](C[6]C[5a,6]HH)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]S[5a])(S[6]C[6])(H)2	C[6](C[6]C[5a,6]HH)(S[6]C[6])(H)2	S[6](C[6]C[5a,6]HH)(C[6]C[6]HH){1|C<3>,1|S<2>,2|H<1>}	C[6](C[5a,6]C[5a,6]S[5a])(S[6]C[6])(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(S[6]C[6])(H)2{2|C<3>,2|H<1>}	97.6520	1.248	3	97.6520	1.558	3	97.6520	1.558	3	96.7505	2.955	8	99.2505	5.444	298	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6]	C[6]	4:4:	3:2:1:1:	4:2:1:1:	C[6]-4:C[6]-4:	C[6,6a]-3:S[6]-2:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	S[6](C[6]C[6,6a]HH)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(H)2	C[6](C[6]C[6,6a]HH)(S[6]C[6])(H)2	S[6](C[6]C[6,6a]HH)(C[6]C[6]HH){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(S[6]C[6])(H)2{2|C<3>,2|H<1>}	97.0796	3.319	2	97.0796	11.014	2	97.0796	11.014	2	96.7505	2.955	8	99.2505	5.444	298	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6]	C[6]	4:4:	3:2:1:1:	4:2:1:1:	C[6]-4:C[6]-4:	N[6,6]-3:S[6]-2:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	S[6](C[6]N[6,6]HH)(C[6]C[6]HH)	C[6](N[6,6]C[6,6]C[6])(S[6]C[6])(H)2	C[6](C[6]C[6,6]HH)(S[6]C[6])(H)2	S[6](C[6]N[6,6]HH)(C[6]C[6]HH){1|C<3>,1|C<4>,2|H<1>}	C[6](N[6,6]C[6,6]C[6])(S[6]C[6])(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(S[6]C[6])(H)2{1|C<3>,1|N<3>,3|H<1>}	95.6296	0.253	3	95.6296	0.064	3	95.6296	0.064	3	96.7505	2.955	8	99.2505	5.444	298	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6]	C[6]	4:4:	3:2:1:1:	4:2:3:2:	C[6]-4:C[6]-4:	C[6]-3:S[6]-2:H-1:H-1:	C[6]-4:S[6]-2:C-3:S-2:	S[6](C[6]C[6]CS)(C[6]C[6]HH)	C[6](C[6]C[6]C)(S[6]C[6])(H)2	C[6](C[6]C[6]CH)(S[6]C[6])(COO)(SC)	S[6](C[6]C[6]CS)(C[6]C[6]HH){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]C)(S[6]C[6])(H)2{1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[6](C[6]C[6]CH)(S[6]C[6])(COO)(SC){1|C<3>,3|H<1>}	96.7080	0.000	1	96.7080	0.000	1	96.7080	0.000	1	96.7080	0.000	1	99.2505	5.444	298	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6]	C[6]	4:4:	3:2:1:1:	4:3:2:1:	C[6]-4:C[6]-4:	C[6,6a]-3:S[6]-2:H-1:H-1:	Si[6]-4:C[6a]-3:S[6]-2:H-1:	S[6](C[6]C[6a]Si[6]H)(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(H)2	C[6](Si[6]C[6,6a]CC)(C[6a]C[6a]2)(S[6]C[6])(H)	S[6](C[6]C[6a]Si[6]H)(C[6]C[6,6a]HH){2|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(H)2{1|Si<4>,2|H<1>,3|C<3>}	C[6](Si[6]C[6,6a]CC)(C[6a]C[6a]2)(S[6]C[6])(H){4|C<3>,4|H<1>}	97.6453	0.351	2	97.6453	0.123	2	97.6453	0.123	2	97.6453	0.123	2	99.2505	5.444	298	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6]	C[6]	4:4:	3:2:2:1:	3:2:1:1:	C[6]-4:C[6]-4:	C[6a]-3:S[6]-2:S[6]-2:H-1:	C[6,6a]-3:S[6]-2:H-1:H-1:	S[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]HH)	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(S[6]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(H)2	S[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]HH){4|C<3>}	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(S[6]C[6])(H){1|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(H)2{1|S<2>,2|H<1>,3|C<3>}	95.5845	0.000	1	95.5845	0.000	1	95.5845	0.000	1	95.5845	0.000	1	99.2505	5.444	298	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6]	C[6]	4:4:	3:2:2:1:	4:2:1:1:	C[6]-4:C[6]-4:	C[5a]-3:S[6]-2:S[6]-2:H-1:	C[6]-4:S[6]-2:H-1:H-1:	S[6](C[6]C[5a]S[6]H)(C[6]C[6]HH)	C[6](C[5a]C[5a]N[5a])(S[6]C[6])2(H)	C[6](C[6]C[6]CH)(S[6]C[6])(H)2	S[6](C[6]C[5a]S[6]H)(C[6]C[6]HH){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[6](C[5a]C[5a]N[5a])(S[6]C[6])2(H){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[6]C[6]CH)(S[6]C[6])(H)2{1|C<3>,1|S<2>,3|H<1>}	99.4291	1.063	2	99.4291	1.131	2	99.4291	1.131	2	99.0380	0.961	39	99.2505	5.444	298	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6]	C[6]	4:4:	3:2:2:1:	4:2:1:1:	C[6]-4:C[6]-4:	C[6a]-3:O[6]-2:S[6]-2:H-1:	C[6]-4:S[6]-2:H-1:H-1:	S[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)	C[6](C[6a]C[6a]N[6a])(O[6]C[6])(S[6]C[6])(H)	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	S[6](C[6]C[6a]O[6]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(O[6]C[6])(S[6]C[6])(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|C<3>,1|O<2>,3|H<1>}	96.6621	0.000	1	96.6621	0.000	1	96.6621	0.000	1	99.0380	0.961	39	99.2505	5.444	298	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6]	C[6]	4:4:	3:2:2:1:	4:2:1:1:	C[6]-4:C[6]-4:	C[6a]-3:S[6]-2:S[6]-2:H-1:	C[6]-4:S[6]-2:H-1:H-1:	S[6](C[6]C[6a]S[6]H)(C[6]C[6]HH)	C[6](C[6a]C[6a,6a]C[6a])(S[6]C[6])2(H)	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	S[6](C[6]C[6a]S[6]H)(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a,6a]C[6a])(S[6]C[6])2(H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|C<3>,1|S<2>,3|H<1>}	97.8813	0.923	2	97.8813	0.853	2	99.0823	0.839	36	99.0380	0.961	39	99.2505	5.444	298	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6]	C[6]	4:4:	3:2:2:1:	4:2:1:1:	C[6]-4:C[6]-4:	C[6a]-3:S[6]-2:S[6]-2:H-1:	C[6]-4:S[6]-2:H-1:H-1:	S[6](C[6]C[6a]S[6]H)(C[6]C[6]HH)	C[6](C[6a]C[6a]2)(S[6]C[6])2(H)	C[6](C[6]C[6]CH)(S[6]C[6])(H)2	S[6](C[6]C[6a]S[6]H)(C[6]C[6]HH){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6a]C[6a]2)(S[6]C[6])2(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6]CH)(S[6]C[6])(H)2{1|C<3>,1|S<2>,3|H<1>}	100.7335	0.555	2	100.7335	0.308	2	99.0823	0.839	36	99.0380	0.961	39	99.2505	5.444	298	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6]	C[6]	4:4:	3:2:2:1:	4:2:1:1:	C[6]-4:C[6]-4:	C[6a]-3:S[6]-2:S[6]-2:H-1:	C[6]-4:S[6]-2:H-1:H-1:	S[6](C[6]C[6a]S[6]H)(C[6]C[6]HH)	C[6](C[6a]C[6a]2)(S[6]C[6])2(H)	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	S[6](C[6]C[6a]S[6]H)(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(S[6]C[6])2(H){1|C<4>,1|N<2>,2|C<3>,5|H<1>}	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|C<3>,1|S<2>,3|H<1>}	99.3739	0.083	2	99.0541	0.640	32	99.0823	0.839	36	99.0380	0.961	39	99.2505	5.444	298	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6]	C[6]	4:4:	3:2:2:1:	4:2:1:1:	C[6]-4:C[6]-4:	C[6a]-3:S[6]-2:S[6]-2:H-1:	C[6]-4:S[6]-2:H-1:H-1:	S[6](C[6]C[6a]S[6]H)(C[6]C[6]HH)	C[6](C[6a]C[6a]2)(S[6]C[6])2(H)	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	S[6](C[6]C[6a]S[6]H)(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(S[6]C[6])2(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|C<3>,1|S<2>,3|H<1>}	99.1382	0.783	12	99.0541	0.640	32	99.0823	0.839	36	99.0380	0.961	39	99.2505	5.444	298	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6]	C[6]	4:4:	3:2:2:1:	4:2:1:1:	C[6]-4:C[6]-4:	C[6a]-3:S[6]-2:S[6]-2:H-1:	C[6]-4:S[6]-2:H-1:H-1:	S[6](C[6]C[6a]S[6]H)(C[6]C[6]HH)	C[6](C[6a]C[6a]2)(S[6]C[6])2(H)	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	S[6](C[6]C[6a]S[6]H)(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(S[6]C[6])2(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|C<3>,1|S<2>,3|H<1>}	98.7953	0.842	2	99.0541	0.640	32	99.0823	0.839	36	99.0380	0.961	39	99.2505	5.444	298	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6]	C[6]	4:4:	3:2:2:1:	4:2:1:1:	C[6]-4:C[6]-4:	C[6a]-3:S[6]-2:S[6]-2:H-1:	C[6]-4:S[6]-2:H-1:H-1:	S[6](C[6]C[6a]S[6]H)(C[6]C[6]HH)	C[6](C[6a]C[6a]2)(S[6]C[6])2(H)	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	S[6](C[6]C[6a]S[6]H)(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(S[6]C[6])2(H){1|C<4>,2|C<3>,2|F<1>,4|H<1>}	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|C<3>,1|S<2>,3|H<1>}	97.7612	0.109	2	99.0541	0.640	32	99.0823	0.839	36	99.0380	0.961	39	99.2505	5.444	298	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6]	C[6]	4:4:	3:2:2:1:	4:2:1:1:	C[6]-4:C[6]-4:	C[6a]-3:S[6]-2:S[6]-2:H-1:	C[6]-4:S[6]-2:H-1:H-1:	S[6](C[6]C[6a]S[6]H)(C[6]C[6]HH)	C[6](C[6a]C[6a]2)(S[6]C[6])2(H)	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	S[6](C[6]C[6a]S[6]H)(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(S[6]C[6])2(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|C<3>,1|S<2>,3|H<1>}	99.3810	0.622	12	99.0541	0.640	32	99.0823	0.839	36	99.0380	0.961	39	99.2505	5.444	298	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6]	C[6]	4:4:	3:2:2:1:	4:2:1:1:	C[6]-4:C[6]-4:	C[6a]-3:S[6]-2:S[6]-2:H-1:	C[6]-4:S[6]-2:H-1:H-1:	S[6](C[6]C[6a]S[6]H)(C[6]C[6]HH)	C[6](C[6a]C[6a]2)(S[6]C[6])2(H)	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	S[6](C[6]C[6a]S[6]H)(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(S[6]C[6])2(H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|C<3>,1|S<2>,3|H<1>}	97.8208	0.114	2	99.0541	0.640	32	99.0823	0.839	36	99.0380	0.961	39	99.2505	5.444	298	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6]	C[6]	4:4:	3:2:4:1:	2:2:1:1:	C[6]-4:C[6]-4:	S[6]-3:S[6]-2:C-4:H-1:	S[6]-2:S[6]-2:H-1:H-1:	S[6](C[6]S[6]CH)(C[6]S[6]HH)	C[6](S[6]C[6]N)(S[6]C[6])(CH3)(H)	C[6](S[6]C[6])2(H)2	S[6](C[6]S[6]CH)(C[6]S[6]HH){1|C<4>,1|N<2>}	C[6](S[6]C[6]N)(S[6]C[6])(CH3)(H){1|C<4>,1|S<2>,3|H<1>}	C[6](S[6]C[6])2(H)2{1|S<3>,2|C<4>,2|H<1>}	100.6930	0.139	2	100.6930	0.019	2	100.6930	0.019	2	100.6930	0.019	2	99.2505	5.444	298	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6]	C[6]	4:4:	3:3:2:1:	4:2:1:1:	C[6]-4:C[6]-4:	C[6]-3:C[6a]-3:S[6]-2:H-1:	C[6]-4:S[6]-2:H-1:H-1:	S[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)	C[6](C[6]C[5]S[6])(C[6a]C[6a]2)(S[6]C[6])(H)	C[6](C[6]S[6]HH)(S[6]C[6])(H)2	S[6](C[6]C[6a]C[6]H)(C[6]C[6]HH){1|S<2>,2|H<1>,3|C<3>}	C[6](C[6]C[5]S[6])(C[6a]C[6a]2)(S[6]C[6])(H){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]S[6]HH)(S[6]C[6])(H)2{1|H<1>,2|C<3>}	104.9500	0.000	1	104.9500	0.000	1	104.9500	0.000	1	98.1496	14.014	9	99.2505	5.444	298	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6]	C[6]	4:4:	3:3:2:1:	4:2:1:1:	C[6]-4:C[6]-4:	C[6]-3:S[6]-3:S[6]-2:H-1:	C[6]-4:S[6]-2:H-1:H-1:	S[6](C[6]C[6]S[6]H)(C[6]C[6]HH)	C[6](C[6]C[6]2)(S[6]C[6]O)(S[6]C[6])(H)	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	S[6](C[6]C[6]S[6]H)(C[6]C[6]HH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6]2)(S[6]C[6]O)(S[6]C[6])(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|C<3>,1|S<3>,3|H<1>}	100.6000	0.000	1	100.6000	0.000	1	100.6000	0.000	1	98.1496	14.014	9	99.2505	5.444	298	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6]	C[6]	4:4:	3:3:2:1:	4:2:1:1:	C[6]-4:C[6]-4:	C[6a]-3:N[6]-3:S[6]-2:H-1:	C[6]-4:S[6]-2:H-1:H-1:	S[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)	C[6](C[6a]C[6a]2)(N[6]C[6]S)(S[6]C[6])(H)	C[6](C[6]C[6]HO)(S[6]C[6])(H)2	S[6](C[6]C[6a]N[6]H)(C[6]C[6]HH){1|C<4>,1|H<1>,1|O<2>,1|S<4>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]S)(S[6]C[6])(H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[6]HO)(S[6]C[6])(H)2{1|H<1>,1|N<3>,3|C<3>}	99.9780	0.000	1	99.9780	0.000	1	99.9780	0.000	1	98.1496	14.014	9	99.2505	5.444	298	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6]	C[6]	4:4:	3:3:2:1:	4:2:1:1:	C[6]-4:C[6]-4:	C[6a]-3:S[6]-3:S[6]-2:H-1:	C[6]-4:S[6]-2:H-1:H-1:	S[6](C[6]C[6a]S[6]H)(C[6]C[6]HH)	C[6](C[6a]C[6a]2)(S[6]C[6]O)(S[6]C[6])(H)	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	S[6](C[6]C[6a]S[6]H)(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(S[6]C[6]O)(S[6]C[6])(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|C<3>,1|S<3>,3|H<1>}	101.1230	0.000	1	101.1230	0.000	1	101.1230	0.000	1	98.1496	14.014	9	99.2505	5.444	298	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6]	C[6]	4:4:	3:3:2:1:	4:2:1:1:	C[6]-4:C[6]-4:	N[5,6]-3:C[6a]-3:S[6]-2:H-1:	C[6]-4:S[6]-2:H-1:H-1:	S[6](C[6]N[5,6]C[6a]H)(C[6]C[6]HH)	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(S[6]C[6])(H)	C[6](C[6]N[5,6]HO)(S[6]C[6])(H)2	S[6](C[6]N[5,6]C[6a]H)(C[6]C[6]HH){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(S[6]C[6])(H){2|C<4>,4|C<3>,5|H<1>}	C[6](C[6]N[5,6]HO)(S[6]C[6])(H)2{1|H<1>,1|N<3>,2|C<3>}	97.5782	0.000	1	97.5782	0.000	1	97.5782	0.000	1	98.1496	14.014	9	99.2505	5.444	298	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6]	C[6]	4:4:	3:3:2:1:	4:2:1:1:	C[6]-4:C[6]-4:	N[6]-3:C[6a]-3:S[6]-2:H-1:	C[6]-4:S[6]-2:H-1:H-1:	S[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(S[6]C[6])(H)	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	S[6](C[6]C[6a]N[6]H)(C[6]C[6]HH){2|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(S[6]C[6])(H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	94.7793	0.799	4	94.7793	0.638	4	94.7793	0.638	4	98.1496	14.014	9	99.2505	5.444	298	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6]	C[6]	4:4:	3:3:2:1:	4:3:2:1:	C[6]-4:C[6]-4:	C[5a,6]-3:C[6a]-3:S[6]-2:H-1:	C[6]-4:C[6a]-3:S[6]-2:H-1:	S[6](C[6]C[5a,6]C[6a]H)(C[6]C[6a]C[6]H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(S[6]C[6])(H)	C[6](C[6]N[5a,6]HH)(C[6a]C[6a]2)(S[6]C[6])(H)	S[6](C[6]C[5a,6]C[6a]H)(C[6]C[6a]C[6]H){1|N<3>,2|H<1>,5|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(S[6]C[6])(H){2|C<4>,3|H<1>,5|C<3>}	C[6](C[6]N[5a,6]HH)(C[6a]C[6a]2)(S[6]C[6])(H){3|H<1>,5|C<3>}	98.1164	0.000	1	98.1164	0.000	1	98.1164	0.000	1	98.1164	0.000	1	99.2505	5.444	298	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6]	C[6]	4:4:	3:4:2:1:	3:2:1:1:	C[6]-4:C[6]-4:	C[6a]-3:C[6]-4:S[6]-2:H-1:	C[6]-3:S[6]-2:H-1:H-1:	S[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(S[6]C[6])(H)	C[6](C[6]C[6]H)(S[6]C[6])(H)2	S[6](C[6]C[6a]C[6]H)(C[6]C[6]HH){3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(S[6]C[6])(H){4|C<3>,4|H<1>}	C[6](C[6]C[6]H)(S[6]C[6])(H)2{1|C<4>,1|H<1>,2|C<3>}	96.5963	0.000	1	96.5963	0.000	1	94.7653	6.705	2	94.7653	6.705	2	99.2505	5.444	298	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6]	C[6]	4:4:	3:4:2:1:	3:2:1:1:	C[6]-4:C[6]-4:	C[6a]-3:C[6]-4:S[6]-2:H-1:	C[6]-3:S[6]-2:H-1:H-1:	S[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(S[6]C[6])(H)	C[6](C[6]N[6]O)(S[6]C[6])(H)2	S[6](C[6]C[6a]C[6]H)(C[6]C[6]HH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(S[6]C[6])(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]N[6]O)(S[6]C[6])(H)2{1|C<3>,1|H<1>,2|C<4>}	92.9342	0.000	1	92.9342	0.000	1	94.7653	6.705	2	94.7653	6.705	2	99.2505	5.444	298	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6]	C[6]	4:4:	3:4:2:1:	3:4:2:1:	C[6]-4:C[6]-4:	C[6a]-3:C[6]-4:S[6]-2:H-1:	C[6a]-3:C[6]-4:S[6]-2:H-1:	S[6](C[6]C[6a]C[6]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(S[6]C[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(S[6]C[6])(H)	S[6](C[6]C[6a]C[6]H)2{4|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(S[6]C[6])(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(S[6]C[6])(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	98.8504	0.581	2	98.8504	0.338	2	98.8504	0.338	2	98.8504	0.338	2	99.2505	5.444	298	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6]	C[6]	4:4:	3:4:2:1:	4:2:1:1:	C[6]-4:C[6]-4:	C[6a]-3:C[5,6]-4:S[6]-2:H-1:	C[6]-4:S[6]-2:H-1:H-1:	S[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HH)	C[6](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[5]H)(S[6]C[6])(H)	C[6](C[6]C[5,6]HH)(S[6]C[6])(H)2	S[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[5]H)(S[6]C[6])(H){1|S<2>,2|C<4>,3|C<3>,6|H<1>}	C[6](C[6]C[5,6]HH)(S[6]C[6])(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	96.4518	0.636	2	96.4518	0.405	2	96.4518	0.405	2	96.1904	0.407	3	99.2505	5.444	298	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6]	C[6]	4:4:	3:4:2:1:	4:2:1:1:	C[6]-4:C[6]-4:	C[6a]-3:C[6]-4:S[6]-2:H-1:	C[6]-4:S[6]-2:H-1:H-1:	S[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(S[6]C[6])(H)	C[6](C[6]C[6]HO)(S[6]C[6])(H)2	S[6](C[6]C[6a]C[6]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(S[6]C[6])(H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[6]HO)(S[6]C[6])(H)2{1|C<4>,1|H<1>,3|C<3>}	95.6677	0.000	1	95.6677	0.000	1	95.6677	0.000	1	96.1904	0.407	3	99.2505	5.444	298	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6]	C[6]	4:4:	3:4:2:1:	4:2:4:1:	C[6]-4:C[6]-4:	C[6a]-3:C[6]-4:S[6]-2:H-1:	C[6]-4:S[6]-2:C-4:H-1:	S[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(S[6]C[6])(H)	C[6](C[6]C[6]HH)(S[6]C[6])(CH3)(H)	S[6](C[6]C[6a]C[6]H)(C[6]C[6]CH){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(S[6]C[6])(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6]HH)(S[6]C[6])(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	99.0616	0.000	1	99.0616	0.000	1	99.0616	0.000	1	99.0616	0.000	1	99.2505	5.444	298	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6]	C[6]	4:4:	3:4:2:2:	4:2:1:1:	C[6]-4:C[6]-4:	C[6a]-3:C[6]-4:S[6]-2:S[6]-2:	C[6]-4:S[6]-2:H-1:H-1:	S[6](C[6]C[6a]C[6]S[6])(C[6]C[6]HH)	C[6](C[6a]C[6a]2)(C[6]C[6]2H)(S[6]C[6])2	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	S[6](C[6]C[6a]C[6]S[6])(C[6]C[6]HH){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]2H)(S[6]C[6])2{10|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	101.4945	1.035	4	101.4945	1.072	4	101.4945	1.072	4	101.4945	1.072	4	99.2505	5.444	298	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6]	C[6]	4:4:	3:4:2:3:	4:2:1:1:	C[6]-4:C[6]-4:	C[6]-3:C[6]-4:S[6]-2:C-3:	C[6]-4:S[6]-2:H-1:H-1:	S[6](C[6]C[6]2C)(C[6]C[6]HH)	C[6](C[6]C[6]O[6])(C[6]S[6]CH)(S[6]C[6])(COO)	C[6](C[6]S[6]HH)(S[6]C[6])(H)2	S[6](C[6]C[6]2C)(C[6]C[6]HH){1|O<2>,1|S<2>,2|C<2>,3|H<1>}	C[6](C[6]C[6]O[6])(C[6]S[6]CH)(S[6]C[6])(COO){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]S[6]HH)(S[6]C[6])(H)2{1|C<4>,2|C<3>}	101.7930	0.000	1	101.7930	0.000	1	101.7930	0.000	1	101.7930	0.000	1	99.2505	5.444	298	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6]	C[6]	4:4:	4:2:1:1:	2:2:1:1:	C[6]-4:C[6]-4:	N[6]-4:S[6]-2:H-1:H-1:	S[6]-2:S[6]-2:H-1:H-1:	S[6](C[6]N[6]HH)(C[6]S[6]HH)	C[6](N[6]C[6]AlC)(S[6]C[6])(H)2	C[6](S[6]C[6])2(H)2	S[6](C[6]N[6]HH)(C[6]S[6]HH){1|Al<4>,2|C<4>}	C[6](N[6]C[6]AlC)(S[6]C[6])(H)2{1|S<2>,4|H<1>}	C[6](S[6]C[6])2(H)2{1|N<4>,4|H<1>}	97.5013	0.870	8	97.5013	0.758	8	97.5013	0.758	8	98.0802	2.091	10	99.2505	5.444	298	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6]	C[6]	4:4:	4:2:1:1:	2:2:1:1:	C[6]-4:C[6]-4:	Si[6]-4:S[6]-2:H-1:H-1:	S[6]-2:S[6]-2:H-1:H-1:	S[6](C[6]Si[6]HH)(C[6]S[6]HH)	C[6](Si[6]C[6]Si2)(S[6]C[6])(H)2	C[6](S[6]C[6])2(H)2	S[6](C[6]Si[6]HH)(C[6]S[6]HH){2|Si<4>,1|C<4>}	C[6](Si[6]C[6]Si2)(S[6]C[6])(H)2{1|S<2>,4|H<1>}	C[6](S[6]C[6])2(H)2{1|Si<4>,4|H<1>}	100.3960	0.327	2	100.3960	0.107	2	100.3960	0.107	2	98.0802	2.091	10	99.2505	5.444	298	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6]	C[6]	4:4:	4:2:1:1:	2:2:3:1:	C[6]-4:C[6]-4:	C[6]-4:S[6]-2:H-1:H-1:	S[6]-2:S[6]-2:C-3:H-1:	S[6](C[6]C[6]HH)(C[6]S[6]CH)	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	C[6](S[6]C[6])2(CCO)(H)	S[6](C[6]C[6]HH)(C[6]S[6]CH){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|C<3>,1|S<2>,3|H<1>}	C[6](S[6]C[6])2(CCO)(H){1|C<4>,4|H<1>}	102.0012	0.588	4	102.0012	0.345	4	102.0012	0.345	4	102.0012	0.345	4	99.2505	5.444	298	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6]	C[6]	4:4:	4:2:1:1:	2:2:3:4:	C[6]-4:C[6]-4:	C[6]-4:S[6]-2:H-1:H-1:	S[6]-2:S[6]-2:C-3:C-4:	S[6](C[6]C[6]HH)(C[6]S[6]CC)	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	C[6](S[6]C[6])2(CC[6a]O)(CH3)	S[6](C[6]C[6]HH)(C[6]S[6]CC){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[6](S[6]C[6])2(CC[6a]O)(CH3){1|C<4>,4|H<1>}	103.1675	2.454	2	103.1675	6.024	2	103.1675	6.024	2	103.1675	6.024	2	99.2505	5.444	298	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6]	C[6]	4:4:	4:2:1:1:	2:2:4:1:	C[6]-4:C[6]-4:	C[6,6]-4:S[6]-2:H-1:H-1:	S[6]-2:S[6]-2:C-4:H-1:	S[6](C[6]C[6,6]HH)(C[6]S[6]CH)	C[6](C[6,6]C[6]3)(S[6]C[6])(H)2	C[6](S[6]C[6])2(CCCH)(H)	S[6](C[6]C[6,6]HH)(C[6]S[6]CH){3|C<4>}	C[6](C[6,6]C[6]3)(S[6]C[6])(H)2{1|C<4>,3|S<2>,7|H<1>}	C[6](S[6]C[6])2(CCCH)(H){1|C<4>,4|H<1>}	100.2124	0.349	2	100.2124	0.122	2	100.2124	0.122	2	99.3331	1.012	14	99.2505	5.444	298	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6]	C[6]	4:4:	4:2:1:1:	2:2:4:1:	C[6]-4:C[6]-4:	C[6]-4:S[6]-2:H-1:H-1:	S[6]-2:S[6]-2:C-4:H-1:	S[6](C[6]C[6]HH)(C[6]S[6]CH)	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	C[6](S[6]C[6])2(CCCH)(H)	S[6](C[6]C[6]HH)(C[6]S[6]CH){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|C<4>,1|S<2>,3|H<1>}	C[6](S[6]C[6])2(CCCH)(H){1|C<4>,4|H<1>}	98.5273	0.401	6	98.5273	0.161	6	99.1866	1.021	12	99.3331	1.012	14	99.2505	5.444	298	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6]	C[6]	4:4:	4:2:1:1:	2:2:4:1:	C[6]-4:C[6]-4:	C[6]-4:S[6]-2:H-1:H-1:	S[6]-2:S[6]-2:C-4:H-1:	S[6](C[6]C[6]HH)(C[6]S[6]CH)	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	C[6](S[6]C[6])2(CCHH)(H)	S[6](C[6]C[6]HH)(C[6]S[6]CH){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|C<4>,1|S<2>,3|H<1>}	C[6](S[6]C[6])2(CCHH)(H){1|C<4>,4|H<1>}	100.4153	0.661	4	100.4153	0.437	4	99.1866	1.021	12	99.3331	1.012	14	99.2505	5.444	298	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6]	C[6]	4:4:	4:2:1:1:	2:2:4:1:	C[6]-4:C[6]-4:	C[6]-4:S[6]-2:H-1:H-1:	S[6]-2:S[6]-2:C-4:H-1:	S[6](C[6]C[6]HH)(C[6]S[6]CH)	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	C[6](S[6]C[6])2(CC[5]HO)(H)	S[6](C[6]C[6]HH)(C[6]S[6]CH){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|C<4>,1|S<2>,3|H<1>}	C[6](S[6]C[6])2(CC[5]HO)(H){1|C<4>,4|H<1>}	98.7071	0.120	2	98.7071	0.014	2	99.1866	1.021	12	99.3331	1.012	14	99.2505	5.444	298	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6]	C[6]	4:4:	4:2:1:1:	2:2:4:3:	C[6]-4:C[6]-4:	C[6]-4:S[6]-2:H-1:H-1:	S[6]-2:S[6]-2:C-4:C-3:	S[6](C[6]C[6]HH)(C[6]S[6]CC)	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	C[6](S[6]C[6])2(CCCH)(COO)	S[6](C[6]C[6]HH)(C[6]S[6]CC){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[6](S[6]C[6])2(CCCH)(COO){1|C<4>,4|H<1>}	103.3305	1.475	4	103.3305	2.175	4	103.3305	2.175	4	103.3305	2.175	4	99.2505	5.444	298	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6]	C[6]	4:4:	4:2:1:1:	2:2:4:4:	C[6]-4:C[6]-4:	C[6]-4:S[6]-2:H-1:H-1:	S[6]-2:S[6]-2:C-4:C-4:	S[6](C[6]C[6]HH)(C[6]S[6]CC)	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	C[6](S[6]C[6])2(CCCH)(CCHH)	S[6](C[6]C[6]HH)(C[6]S[6]CC){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|S<2>,2|C<4>,2|H<1>}	C[6](S[6]C[6])2(CCCH)(CCHH){1|C<4>,4|H<1>}	102.5980	0.000	1	102.5980	0.000	1	102.5400	0.998	33	102.5412	0.891	37	99.2505	5.444	298	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6]	C[6]	4:4:	4:2:1:1:	2:2:4:4:	C[6]-4:C[6]-4:	C[6]-4:S[6]-2:H-1:H-1:	S[6]-2:S[6]-2:C-4:C-4:	S[6](C[6]C[6]HH)(C[6]S[6]CC)	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	C[6](S[6]C[6])2(CCHH)2	S[6](C[6]C[6]HH)(C[6]S[6]CC){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|S<2>,2|C<4>,2|H<1>}	C[6](S[6]C[6])2(CCHH)2{1|C<4>,4|H<1>}	102.1832	0.796	24	102.1832	0.633	24	102.5400	0.998	33	102.5412	0.891	37	99.2505	5.444	298	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6]	C[6]	4:4:	4:2:1:1:	2:2:4:4:	C[6]-4:C[6]-4:	C[6]-4:S[6]-2:H-1:H-1:	S[6]-2:S[6]-2:C-4:C-4:	S[6](C[6]C[6]HH)(C[6]S[6]CC)	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	C[6](S[6]C[6])2(CCHO)(CH3)	S[6](C[6]C[6]HH)(C[6]S[6]CC){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|S<2>,2|C<4>,2|H<1>}	C[6](S[6]C[6])2(CCHO)(CH3){1|C<4>,4|H<1>}	104.4390	0.231	2	104.4390	0.053	2	102.5400	0.998	33	102.5412	0.891	37	99.2505	5.444	298	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6]	C[6]	4:4:	4:2:1:1:	2:2:4:4:	C[6]-4:C[6]-4:	C[6]-4:S[6]-2:H-1:H-1:	S[6]-2:S[6]-2:C-4:C-4:	S[6](C[6]C[6]HH)(C[6]S[6]CC)	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	C[6](S[6]C[6])2(CC[5]HN)(CCHH)	S[6](C[6]C[6]HH)(C[6]S[6]CC){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|S<2>,2|C<4>,2|H<1>}	C[6](S[6]C[6])2(CC[5]HN)(CCHH){1|C<4>,4|H<1>}	102.8585	0.477	2	102.8585	0.228	2	102.5400	0.998	33	102.5412	0.891	37	99.2505	5.444	298	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6]	C[6]	4:4:	4:2:1:1:	2:2:4:4:	C[6]-4:C[6]-4:	C[6]-4:S[6]-2:H-1:H-1:	S[6]-2:S[6]-2:C-4:C-4:	S[6](C[6]C[6]HH)(C[6]S[6]CC)	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	C[6](S[6]C[6])2(CC[6]HH)(CC3)	S[6](C[6]C[6]HH)(C[6]S[6]CC){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|S<2>,2|C<4>,2|H<1>}	C[6](S[6]C[6])2(CC[6]HH)(CC3){1|C<4>,4|H<1>}	103.5577	0.909	4	103.5577	0.826	4	102.5400	0.998	33	102.5412	0.891	37	99.2505	5.444	298	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6]	C[6]	4:4:	4:2:1:1:	2:2:4:4:	C[6]-4:C[6]-4:	C[6]-4:S[6]-2:H-1:H-1:	S[6]-2:S[6]-2:C-4:Si-4:	S[6](C[6]S[6]SiC)(C[6]C[6]HH)	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	C[6](S[6]C[6])2(CCCH)(SiC3)	S[6](C[6]S[6]SiC)(C[6]C[6]HH){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|Si<4>,1|C<4>,1|S<2>,2|H<1>}	C[6](S[6]C[6])2(CCCH)(SiC3){1|C<4>,4|H<1>}	102.5507	0.215	4	102.5507	0.046	4	102.5507	0.046	4	102.5412	0.891	37	99.2505	5.444	298	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6]	C[6]	4:4:	4:2:1:1:	3:2:1:1:	C[6]-4:C[6]-4:	C[6,6]-4:S[6]-2:H-1:H-1:	C[6]-3:S[6]-2:H-1:H-1:	S[6](C[6]C[6,6]HH)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6]H)(S[6]C[6])(H)2	C[6](C[6]C[6,6]H)(S[6]C[6])(H)2	S[6](C[6]C[6,6]HH)(C[6]C[6]HH){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(S[6]C[6])(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6]H)(S[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	96.2106	0.000	1	96.2106	0.000	1	96.2106	0.000	1	98.6032	5.560	3	99.2505	5.444	298	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6]	C[6]	4:4:	4:2:1:1:	3:2:1:1:	C[6]-4:C[6]-4:	C[6]-4:S[6]-2:H-1:H-1:	S[6]-3:S[6]-2:H-1:H-1:	S[6](C[6]C[6]HH)(C[6]S[6]HH)	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	C[6](S[6]C[6]Rh)(S[6]C[6])(H)2	S[6](C[6]C[6]HH)(C[6]S[6]HH){1|Rh<8>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|S<3>,4|H<1>}	C[6](S[6]C[6]Rh)(S[6]C[6])(H)2{1|C<4>,4|H<1>}	99.7995	1.592	2	99.7995	2.534	2	99.7995	2.534	2	98.6032	5.560	3	99.2505	5.444	298	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6]	C[6]	4:4:	4:2:1:1:	3:2:2:1:	C[6]-4:C[6]-4:	C[6]-4:S[6]-2:H-1:H-1:	S[6]-3:S[6]-2:C-2:H-1:	S[6](C[6]C[6]HH)(C[6]S[6]CH)	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	C[6](S[6]C[6]O)(S[6]C[6])(CC)(H)	S[6](C[6]C[6]HH)(C[6]S[6]CH){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|C<2>,1|S<3>,3|H<1>}	C[6](S[6]C[6]O)(S[6]C[6])(CC)(H){1|C<4>,4|H<1>}	99.2477	0.778	4	99.2477	0.606	4	99.2477	0.606	4	99.2477	0.606	4	99.2505	5.444	298	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6]	C[6]	4:4:	4:2:1:1:	3:2:2:4:	C[6]-4:C[6]-4:	C[6]-4:S[6]-2:H-1:H-1:	C[6a]-3:S[6]-2:S[6]-2:C-4:	S[6](C[6]C[6a]S[6]C)(C[6]C[6]HH)	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	C[6](C[6a]C[6a]2)(S[6]C[6])2(CC[3]CH)	S[6](C[6]C[6a]S[6]C)(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[6](C[6a]C[6a]2)(S[6]C[6])2(CC[3]CH){1|C<4>,2|C<3>,6|H<1>}	99.9139	0.562	2	99.9139	0.315	2	100.9069	1.394	8	100.9069	1.394	8	99.2505	5.444	298	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6]	C[6]	4:4:	4:2:1:1:	3:2:2:4:	C[6]-4:C[6]-4:	C[6]-4:S[6]-2:H-1:H-1:	C[6a]-3:S[6]-2:S[6]-2:C-4:	S[6](C[6]C[6a]S[6]C)(C[6]C[6]HH)	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	C[6](C[6a]C[6a]2)(S[6]C[6])2(CC[5]HO)	S[6](C[6]C[6a]S[6]C)(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[6](C[6a]C[6a]2)(S[6]C[6])2(CC[5]HO){1|C<4>,2|C<3>,6|H<1>}	99.9537	0.942	2	99.9537	0.888	2	100.9069	1.394	8	100.9069	1.394	8	99.2505	5.444	298	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6]	C[6]	4:4:	4:2:1:1:	3:2:2:4:	C[6]-4:C[6]-4:	C[6]-4:S[6]-2:H-1:H-1:	C[6a]-3:S[6]-2:S[6]-2:C-4:	S[6](C[6]C[6a]S[6]C)(C[6]C[6]HH)	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	C[6](C[6a]C[6a]2)(S[6]C[6])2(CH3)	S[6](C[6]C[6a]S[6]C)(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[6](C[6a]C[6a]2)(S[6]C[6])2(CH3){1|C<4>,2|C<3>,6|H<1>}	101.4435	0.455	2	101.4435	0.207	2	100.9069	1.394	8	100.9069	1.394	8	99.2505	5.444	298	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6]	C[6]	4:4:	4:2:1:1:	3:2:2:4:	C[6]-4:C[6]-4:	C[6]-4:S[6]-2:H-1:H-1:	C[6a]-3:S[6]-2:S[6]-2:C-4:	S[6](C[6]C[6a]S[6]C)(C[6]C[6]HH)	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	C[6](C[6a]C[6a]2)(S[6]C[6])2(CHHO)	S[6](C[6]C[6a]S[6]C)(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[6](C[6a]C[6a]2)(S[6]C[6])2(CHHO){1|C<4>,2|C<3>,6|H<1>}	102.3165	0.103	2	102.3165	0.011	2	100.9069	1.394	8	100.9069	1.394	8	99.2505	5.444	298	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6]	C[6]	4:4:	4:2:1:1:	3:2:4:4:	C[6]-4:C[6]-4:	C[6]-4:S[6]-2:H-1:H-1:	S[6]-3:S[6]-2:C-4:C-4:	S[6](C[6]C[6]HH)(C[6]S[6]CC)	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	C[6](S[6]C[6]O)(S[6]C[6])(CH3)2	S[6](C[6]C[6]HH)(C[6]S[6]CC){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|H<1>,1|S<3>,3|C<4>}	C[6](S[6]C[6]O)(S[6]C[6])(CH3)2{2|C<4>,3|H<1>}	101.2020	0.000	1	101.2020	0.000	1	101.2020	0.000	1	101.2020	0.000	1	99.2505	5.444	298	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6]	C[6]	4:4:	4:2:1:1:	4:2:1:1:	C[6]-4:C[6]-4:	C[3x6]-4:S[6]-2:H-1:H-1:	C[3x6]-4:S[6]-2:H-1:H-1:	S[6](C[6]C[3x6]HH)2	C[6](C[3x6]C[3x6]C[4x6]H)(S[6]C[6])(H)2	C[6](C[3x6]C[3x6]C[4x6]H)(S[6]C[6])(H)2	S[6](C[6]C[3x6]HH)2{2|H<1>,3|C<4>}	C[6](C[3x6]C[3x6]C[4x6]H)(S[6]C[6])(H)2{2|C<4>,2|H<1>,4|O<2>}	C[6](C[3x6]C[3x6]C[4x6]H)(S[6]C[6])(H)2{2|C<4>,3|H<1>,3|O<2>}	98.8736	0.000	1	98.8736	0.000	1	98.8736	0.000	1	97.4995	1.358	78	99.2505	5.444	298	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6]	C[6]	4:4:	4:2:1:1:	4:2:1:1:	C[6]-4:C[6]-4:	C[3x6]-4:S[6]-2:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	S[6](C[6]C[3x6]HH)(C[6]C[6]HH)	C[6](C[3x6]C[3x6]C[4x6]H)(S[6]C[6])(H)2	C[6](C[6]C[4x6]HH)(S[6]C[6])(H)2	S[6](C[6]C[3x6]HH)(C[6]C[6]HH){2|C<4>,3|H<1>}	C[6](C[3x6]C[3x6]C[4x6]H)(S[6]C[6])(H)2{2|C<4>,3|H<1>,3|O<2>}	C[6](C[6]C[4x6]HH)(S[6]C[6])(H)2{1|C<4>,2|H<1>,2|O<2>}	97.3800	0.000	1	97.3800	0.000	1	97.3800	0.000	1	97.4995	1.358	78	99.2505	5.444	298	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6]	C[6]	4:4:	4:2:1:1:	4:2:1:1:	C[6]-4:C[6]-4:	C[5,5,6,6]-4:S[6]-2:H-1:H-1:	C[5,5,6,6]-4:S[6]-2:H-1:H-1:	S[6](C[6]C[5,5,6,6]HH)2	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(S[6]C[6])(H)2	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(S[6]C[6])(H)2	S[6](C[6]C[5,5,6,6]HH)2{1|C<4>,2|C<3>,2|O<2>}	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(S[6]C[6])(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(S[6]C[6])(H)2{1|C<3>,3|H<1>,4|C<4>}	98.8483	0.000	1	98.8483	0.000	1	98.8483	0.000	1	97.4995	1.358	78	99.2505	5.444	298	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6]	C[6]	4:4:	4:2:1:1:	4:2:1:1:	C[6]-4:C[6]-4:	C[5,6]-4:S[6]-2:H-1:H-1:	C[5,6]-4:S[6]-2:H-1:H-1:	S[6](C[6]C[5,6]HH)2	C[6](C[5,6]C[5,5,6]C[5]H)(S[6]C[6])(H)2	C[6](C[5,6]C[5,5,6]C[5]H)(S[6]C[6])(H)2	S[6](C[6]C[5,6]HH)2{2|H<1>,3|C<4>}	C[6](C[5,6]C[5,5,6]C[5]H)(S[6]C[6])(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(S[6]C[6])(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	98.3325	0.256	2	98.3325	0.066	2	98.3325	0.066	2	97.4995	1.358	78	99.2505	5.444	298	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6]	C[6]	4:4:	4:2:1:1:	4:2:1:1:	C[6]-4:C[6]-4:	C[5,6]-4:S[6]-2:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	S[6](C[6]C[5,6]HH)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5]C)(S[6]C[6])(H)2	C[6](C[6]C[5,6]HH)(S[6]C[6])(H)2	S[6](C[6]C[5,6]HH)(C[6]C[6]HH){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(S[6]C[6])(H)2{1|N<2>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[5,6]HH)(S[6]C[6])(H)2{1|C<4>,2|H<1>,2|O<2>}	100.1490	0.000	1	100.1490	0.000	1	99.1891	1.843	2	97.4995	1.358	78	99.2505	5.444	298	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6]	C[6]	4:4:	4:2:1:1:	4:2:1:1:	C[6]-4:C[6]-4:	C[5,6]-4:S[6]-2:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	S[6](C[6]C[5,6]HH)(C[6]C[6]HH)	C[6](C[5,6]S[5,6]S[5]H)(S[6]C[6])(H)2	C[6](C[6]S[5,6]HH)(S[6]C[6])(H)2	S[6](C[6]C[5,6]HH)(C[6]C[6]HH){1|S<2>,1|S<3>,3|H<1>}	C[6](C[5,6]S[5,6]S[5]H)(S[6]C[6])(H)2{2|H<1>,3|C<4>}	C[6](C[6]S[5,6]HH)(S[6]C[6])(H)2{2|C<4>,2|H<1>}	98.2291	0.000	1	98.2291	0.000	1	99.1891	1.843	2	97.4995	1.358	78	99.2505	5.444	298	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6]	C[6]	4:4:	4:2:1:1:	4:2:1:1:	C[6]-4:C[6]-4:	C[6,6]-4:S[6]-2:H-1:H-1:	C[6,6]-4:S[6]-2:H-1:H-1:	S[6](C[6]C[6,6]HH)2	C[6](C[6,6]C[6,6]C[6]H)(S[6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6]H)(S[6]C[6])(H)2	S[6](C[6]C[6,6]HH)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(S[6]C[6])(H)2{1|C<2>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(S[6]C[6])(H)2{1|C<2>,1|C<4>,1|N<3>,5|H<1>}	99.9420	0.000	1	99.9420	0.000	1	99.9420	0.000	1	97.4995	1.358	78	99.2505	5.444	298	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6]	C[6]	4:4:	4:2:1:1:	4:2:1:1:	C[6]-4:C[6]-4:	C[6,6]-4:S[6]-2:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	S[6](C[6]C[6,6]HH)(C[6]C[6]HH)	C[6](C[6,6]N[6,6]C[6]H)(S[6]C[6])(H)2	C[6](C[6]N[6,6]HH)(S[6]C[6])(H)2	S[6](C[6]C[6,6]HH)(C[6]C[6]HH){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(S[6]C[6])(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]N[6,6]HH)(S[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	97.4329	0.820	4	97.4329	0.673	4	97.4329	0.673	4	97.4995	1.358	78	99.2505	5.444	298	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6]	C[6]	4:4:	4:2:1:1:	4:2:1:1:	C[6]-4:C[6]-4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	S[6](C[6]C[6]HH)2	C[6](C[6]C[5,6]CH)(S[6]C[6])(H)2	C[6](C[6]C[5,6]CH)(S[6]C[6])(H)2	S[6](C[6]C[6]HH)2{2|H<1>,3|C<4>}	C[6](C[6]C[5,6]CH)(S[6]C[6])(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[5,6]CH)(S[6]C[6])(H)2{1|C<4>,2|H<1>,2|O<2>}	97.4702	0.000	1	97.4702	0.000	1	97.3285	1.254	65	97.4995	1.358	78	99.2505	5.444	298	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6]	C[6]	4:4:	4:2:1:1:	4:2:1:1:	C[6]-4:C[6]-4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	S[6](C[6]C[6]HH)2	C[6](C[6]C[5,6]HH)(S[6]C[6])(H)2	C[6](C[6]C[5,6]HH)(S[6]C[6])(H)2	S[6](C[6]C[6]HH)2{1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(S[6]C[6])(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(S[6]C[6])(H)2{1|O<2>,2|C<4>,2|H<1>}	97.3547	0.000	1	97.3547	0.000	1	97.3285	1.254	65	97.4995	1.358	78	99.2505	5.444	298	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6]	C[6]	4:4:	4:2:1:1:	4:2:1:1:	C[6]-4:C[6]-4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	S[6](C[6]C[6]HH)2	C[6](C[6]C[5]C[6]H)(S[6]C[6])(H)2	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	S[6](C[6]C[6]HH)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5]C[6]H)(S[6]C[6])(H)2{1|C<4>,1|O<1>,2|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|C<4>,1|O<1>,2|H<1>}	95.7013	0.000	1	95.7013	0.000	1	97.3285	1.254	65	97.4995	1.358	78	99.2505	5.444	298	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6]	C[6]	4:4:	4:2:1:1:	4:2:1:1:	C[6]-4:C[6]-4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	S[6](C[6]C[6]HH)2	C[6](C[6]C[6,6]HH)(S[6]C[6])(H)2	C[6](C[6]C[6,6]HH)(S[6]C[6])(H)2	S[6](C[6]C[6]HH)2{1|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(S[6]C[6])(H)2{1|C<4>,2|H<1>,2|N<3>}	C[6](C[6]C[6,6]HH)(S[6]C[6])(H)2{1|C<4>,2|H<1>,2|N<3>}	97.7311	0.000	1	97.7311	0.000	1	97.3285	1.254	65	97.4995	1.358	78	99.2505	5.444	298	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6]	C[6]	4:4:	4:2:1:1:	4:2:1:1:	C[6]-4:C[6]-4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	S[6](C[6]C[6]HH)2	C[6](C[6]C[6]2H)(S[6]C[6])(H)2	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	S[6](C[6]C[6]HH)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]2H)(S[6]C[6])(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|C<4>,1|O<1>,2|H<1>}	98.1060	0.000	1	98.1060	0.000	1	97.3285	1.254	65	97.4995	1.358	78	99.2505	5.444	298	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6]	C[6]	4:4:	4:2:1:1:	4:2:1:1:	C[6]-4:C[6]-4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	S[6](C[6]C[6]HH)2	C[6](C[6]C[6]CH)(S[6]C[6])(H)2	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	S[6](C[6]C[6]HH)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(S[6]C[6])(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|C<4>,1|O<1>,2|H<1>}	97.2405	0.687	4	97.2969	0.370	5	97.3285	1.254	65	97.4995	1.358	78	99.2505	5.444	298	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6]	C[6]	4:4:	4:2:1:1:	4:2:1:1:	C[6]-4:C[6]-4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	S[6](C[6]C[6]HH)2	C[6](C[6]C[6]CH)(S[6]C[6])(H)2	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	S[6](C[6]C[6]HH)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(S[6]C[6])(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|C<4>,1|O<2>,3|H<1>}	97.5225	0.000	1	97.2969	0.370	5	97.3285	1.254	65	97.4995	1.358	78	99.2505	5.444	298	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6]	C[6]	4:4:	4:2:1:1:	4:2:1:1:	C[6]-4:C[6]-4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	S[6](C[6]C[6]HH)2	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	S[6](C[6]C[6]HH)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|C<4>,1|O<2>,3|H<1>}	98.1483	0.000	1	97.2807	0.567	3	97.3285	1.254	65	97.4995	1.358	78	99.2505	5.444	298	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6]	C[6]	4:4:	4:2:1:1:	4:2:1:1:	C[6]-4:C[6]-4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	S[6](C[6]C[6]HH)2	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	S[6](C[6]C[6]HH)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|O<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|O<3>,2|C<4>,2|H<1>}	96.8469	0.070	2	97.2807	0.567	3	97.3285	1.254	65	97.4995	1.358	78	99.2505	5.444	298	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6]	C[6]	4:4:	4:2:1:1:	4:2:1:1:	C[6]-4:C[6]-4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	S[6](C[6]C[6]HH)2	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	C[6](C[6]C[6]NO)(S[6]C[6])(H)2	S[6](C[6]C[6]HH)2{1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]NO)(S[6]C[6])(H)2{1|C<4>,1|O<1>,2|H<1>}	98.3318	0.000	1	98.3318	0.000	1	97.3285	1.254	65	97.4995	1.358	78	99.2505	5.444	298	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6]	C[6]	4:4:	4:2:1:1:	4:2:1:1:	C[6]-4:C[6]-4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	S[6](C[6]C[6]HH)2	C[6](C[6]N[5a]O[6]H)(S[6]C[6])(H)2	C[6](C[6]O[6]CH)(S[6]C[6])(H)2	S[6](C[6]C[6]HH)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]N[5a]O[6]H)(S[6]C[6])(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]O[6]CH)(S[6]C[6])(H)2{1|C<4>,2|H<1>}	96.9079	1.497	4	96.9079	2.240	4	97.3285	1.254	65	97.4995	1.358	78	99.2505	5.444	298	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6]	C[6]	4:4:	4:2:1:1:	4:2:1:1:	C[6]-4:C[6]-4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	S[6](C[6]C[6]HH)2	C[6](C[6]N[6]CH)(S[6]C[6])(H)2	C[6](C[6]N[6]CH)(S[6]C[6])(H)2	S[6](C[6]C[6]HH)2{1|N<4>,2|C<3>,2|H<1>}	C[6](C[6]N[6]CH)(S[6]C[6])(H)2{1|C<4>,4|H<1>}	C[6](C[6]N[6]CH)(S[6]C[6])(H)2{1|C<4>,4|H<1>}	96.4604	0.000	1	96.4604	0.000	1	97.3285	1.254	65	97.4995	1.358	78	99.2505	5.444	298	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6]	C[6]	4:4:	4:2:1:1:	4:2:1:1:	C[6]-4:C[6]-4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	S[6](C[6]C[6]HH)2	C[6](C[6]N[6]HH)(S[6]C[6])(H)2	C[6](C[6]N[6]HH)(S[6]C[6])(H)2	S[6](C[6]C[6]HH)2{1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(S[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(S[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	97.0063	0.681	18	96.8799	0.400	35	97.3285	1.254	65	97.4995	1.358	78	99.2505	5.444	298	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6]	C[6]	4:4:	4:2:1:1:	4:2:1:1:	C[6]-4:C[6]-4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	S[6](C[6]C[6]HH)2	C[6](C[6]N[6]HH)(S[6]C[6])(H)2	C[6](C[6]N[6]HH)(S[6]C[6])(H)2	S[6](C[6]C[6]HH)2{1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(S[6]C[6])(H)2{1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]N[6]HH)(S[6]C[6])(H)2{1|C<4>,1|S<4>,2|H<1>}	97.7541	0.000	1	96.8799	0.400	35	97.3285	1.254	65	97.4995	1.358	78	99.2505	5.444	298	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6]	C[6]	4:4:	4:2:1:1:	4:2:1:1:	C[6]-4:C[6]-4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	S[6](C[6]C[6]HH)2	C[6](C[6]N[6]HH)(S[6]C[6])(H)2	C[6](C[6]N[6]HH)(S[6]C[6])(H)2	S[6](C[6]C[6]HH)2{1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(S[6]C[6])(H)2{1|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(S[6]C[6])(H)2{1|C<4>,3|H<1>}	97.4320	0.000	1	96.8799	0.400	35	97.3285	1.254	65	97.4995	1.358	78	99.2505	5.444	298	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6]	C[6]	4:4:	4:2:1:1:	4:2:1:1:	C[6]-4:C[6]-4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	S[6](C[6]C[6]HH)2	C[6](C[6]N[6]HH)(S[6]C[6])(H)2	C[6](C[6]N[6]HH)(S[6]C[6])(H)2	S[6](C[6]C[6]HH)2{1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(S[6]C[6])(H)2{2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(S[6]C[6])(H)2{2|C<4>,2|H<1>}	96.5885	0.469	6	96.8799	0.400	35	97.3285	1.254	65	97.4995	1.358	78	99.2505	5.444	298	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6]	C[6]	4:4:	4:2:1:1:	4:2:1:1:	C[6]-4:C[6]-4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	S[6](C[6]C[6]HH)2	C[6](C[6]N[6]HH)(S[6]C[6])(H)2	C[6](C[6]N[6]HH)(S[6]C[6])(H)2	S[6](C[6]C[6]HH)2{1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(S[6]C[6])(H)2{1|C<4>,4|H<1>}	C[6](C[6]N[6]HH)(S[6]C[6])(H)2{1|C<4>,4|H<1>}	96.4900	0.459	7	96.8799	0.400	35	97.3285	1.254	65	97.4995	1.358	78	99.2505	5.444	298	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6]	C[6]	4:4:	4:2:1:1:	4:2:1:1:	C[6]-4:C[6]-4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	S[6](C[6]C[6]HH)2	C[6](C[6]N[6]HH)(S[6]C[6])(H)2	C[6](C[6]N[6]HH)(S[6]C[6])(H)2	S[6](C[6]C[6]HH)2{1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(S[6]C[6])(H)2{1|Co<6>,1|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(S[6]C[6])(H)2{1|Co<6>,1|C<4>,3|H<1>}	97.5179	0.000	1	96.8799	0.400	35	97.3285	1.254	65	97.4995	1.358	78	99.2505	5.444	298	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6]	C[6]	4:4:	4:2:1:1:	4:2:1:1:	C[6]-4:C[6]-4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	S[6](C[6]C[6]HH)2	C[6](C[6]N[6]HH)(S[6]C[6])(H)2	C[6](C[6]N[6]HH)(S[6]C[6])(H)2	S[6](C[6]C[6]HH)2{1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(S[6]C[6])(H)2{1|Zn<5>,2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(S[6]C[6])(H)2{1|Zn<5>,2|C<4>,2|H<1>}	97.0184	0.000	1	96.8799	0.400	35	97.3285	1.254	65	97.4995	1.358	78	99.2505	5.444	298	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6]	C[6]	4:4:	4:2:1:1:	4:2:1:1:	C[6]-4:C[6]-4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	S[6](C[6]C[6]HH)2	C[6](C[6]S[6]HH)(S[6]C[6])(H)2	C[6](C[6]S[6]HH)(S[6]C[6])(H)2	S[6](C[6]C[6]HH)2{1|S<2>,4|H<1>}	C[6](C[6]S[6]HH)(S[6]C[6])(H)2{1|C<4>,2|H<1>}	C[6](C[6]S[6]HH)(S[6]C[6])(H)2{1|C<4>,2|H<1>}	100.0029	0.530	4	98.9493	1.547	11	97.3285	1.254	65	97.4995	1.358	78	99.2505	5.444	298	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6]	C[6]	4:4:	4:2:1:1:	4:2:1:1:	C[6]-4:C[6]-4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	S[6](C[6]C[6]HH)2	C[6](C[6]S[6]HH)(S[6]C[6])(H)2	C[6](C[6]S[6]HH)(S[6]C[6])(H)2	S[6](C[6]C[6]HH)2{1|S<3>,4|H<1>}	C[6](C[6]S[6]HH)(S[6]C[6])(H)2{1|B<6>,1|C<4>,2|H<1>}	C[6](C[6]S[6]HH)(S[6]C[6])(H)2{1|B<6>,1|C<4>,2|H<1>}	98.8561	1.096	2	98.9493	1.547	11	97.3285	1.254	65	97.4995	1.358	78	99.2505	5.444	298	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6]	C[6]	4:4:	4:2:1:1:	4:2:1:1:	C[6]-4:C[6]-4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	S[6](C[6]C[6]HH)2	C[6](C[6]S[6]HH)(S[6]C[6])(H)2	C[6](C[6]S[6]HH)(S[6]C[6])(H)2	S[6](C[6]C[6]HH)2{1|S<4>,4|H<1>}	C[6](C[6]S[6]HH)(S[6]C[6])(H)2{1|C<4>,2|H<1>,2|W<6>}	C[6](C[6]S[6]HH)(S[6]C[6])(H)2{1|C<4>,2|H<1>,2|W<6>}	98.1437	1.196	5	98.9493	1.547	11	97.3285	1.254	65	97.4995	1.358	78	99.2505	5.444	298	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6]	C[6]	4:4:	4:2:1:1:	4:2:1:1:	C[6]-4:C[6]-4:	P[6]-4:S[6]-2:H-1:H-1:	P[6]-4:S[6]-2:H-1:H-1:	S[6](C[6]P[6]HH)2	C[6](P[6]C[6a]O[6]O)(S[6]C[6])(H)2	C[6](P[6]C[6a]O[6]O)(S[6]C[6])(H)2	S[6](C[6]P[6]HH)2{1|O<2>,2|C<3>,2|O<1>}	C[6](P[6]C[6a]O[6]O)(S[6]C[6])(H)2{1|P<4>,2|C<3>,2|H<1>}	C[6](P[6]C[6a]O[6]O)(S[6]C[6])(H)2{1|P<4>,2|C<3>,2|H<1>}	98.7925	0.000	1	98.7925	0.000	1	98.7925	0.000	1	97.4995	1.358	78	99.2505	5.444	298	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6]	C[6]	4:4:	4:2:1:1:	4:2:2:1:	C[6]-4:C[6]-4:	C[6]-4:S[6]-2:H-1:H-1:	C-4:S[6]-2:S[6]-2:H-1:	S[6](C[6]C[6]HH)(C[6]S[6]CH)	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	C[6](CC[5]N[4]H)(S[6]C[6])2(H)	S[6](C[6]C[6]HH)(C[6]S[6]CH){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|C<4>,1|S<2>,3|H<1>}	C[6](CC[5]N[4]H)(S[6]C[6])2(H){1|C<4>,4|H<1>}	100.6560	0.529	4	100.6560	0.280	4	100.4862	0.352	6	99.4810	2.446	16	99.2505	5.444	298	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6]	C[6]	4:4:	4:2:1:1:	4:2:2:1:	C[6]-4:C[6]-4:	C[6]-4:S[6]-2:H-1:H-1:	C-4:S[6]-2:S[6]-2:H-1:	S[6](C[6]C[6]HH)(C[6]S[6]CH)	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	C[6](CC[6a]HN)(S[6]C[6])2(H)	S[6](C[6]C[6]HH)(C[6]S[6]CH){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|C<4>,1|S<2>,3|H<1>}	C[6](CC[6a]HN)(S[6]C[6])2(H){1|C<4>,4|H<1>}	100.1466	0.759	2	100.1466	0.575	2	100.4862	0.352	6	99.4810	2.446	16	99.2505	5.444	298	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6]	C[6]	4:4:	4:2:1:1:	4:2:2:1:	C[6]-4:C[6]-4:	C[6]-4:S[6]-2:H-1:H-1:	C[3]-4:S[6]-2:S[6]-2:H-1:	S[6](C[6]C[3]S[6]H)(C[6]C[6]HH)	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	C[6](C[3]C[3]2H)(S[6]C[6])2(H)	S[6](C[6]C[3]S[6]H)(C[6]C[6]HH){3|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|C<4>,1|S<2>,3|H<1>}	C[6](C[3]C[3]2H)(S[6]C[6])2(H){4|C<4>,5|H<1>}	100.6950	1.031	2	100.6950	1.063	2	100.6950	1.063	2	99.4810	2.446	16	99.2505	5.444	298	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6]	C[6]	4:4:	4:2:1:1:	4:2:2:1:	C[6]-4:C[6]-4:	C[6]-4:S[6]-2:H-1:H-1:	C[5]-4:S[6]-2:S[6]-2:H-1:	S[6](C[6]C[5]S[6]H)(C[6]C[6]HH)	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	C[6](C[5]C[5]2Fe)(S[6]C[6])2(H)	S[6](C[6]C[5]S[6]H)(C[6]C[6]HH){1|Fe<10>,2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|C<4>,1|S<2>,3|H<1>}	C[6](C[5]C[5]2Fe)(S[6]C[6])2(H){3|C<4>,6|H<1>}	99.7498	0.657	4	99.7498	0.432	4	99.7498	0.432	4	99.4810	2.446	16	99.2505	5.444	298	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6]	C[6]	4:4:	4:2:1:1:	4:2:2:1:	C[6]-4:C[6]-4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:S[6]-2:S[6]-2:H-1:	S[6](C[6]C[6]S[6]H)(C[6]C[6]HH)	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	C[6](C[6]S[6]2C)(S[6]C[6])2(H)	S[6](C[6]C[6]S[6]H)(C[6]C[6]HH){1|C<3>,1|C<4>,2|H<1>,2|S<2>}	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|C<4>,1|S<2>,3|H<1>}	C[6](C[6]S[6]2C)(S[6]C[6])2(H){3|C<4>,4|H<1>}	97.0974	0.426	4	97.0974	0.181	4	97.0974	0.181	4	99.4810	2.446	16	99.2505	5.444	298	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6]	C[6]	4:4:	4:2:1:1:	4:2:2:3:	C[6]-4:C[6]-4:	C[6]-4:S[6]-2:H-1:H-1:	C-4:S[6]-2:S[6]-2:C-3:	S[6](C[6]C[6]HH)(C[6]S[6]CC)	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	C[6](CC[6a]CH)(S[6]C[6])2(CCO)	S[6](C[6]C[6]HH)(C[6]S[6]CC){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[6](CC[6a]CH)(S[6]C[6])2(CCO){1|C<4>,4|H<1>}	102.2375	0.459	2	102.2375	0.211	2	102.2375	0.211	2	101.4738	1.757	6	99.2505	5.444	298	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6]	C[6]	4:4:	4:2:1:1:	4:2:2:3:	C[6]-4:C[6]-4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:S[6]-2:S[6]-2:C-3:	S[6](C[6]C[6]S[6]C)(C[6]C[6]HH)	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	C[6](C[6]S[6]2H)(S[6]C[6])2(CHO)	S[6](C[6]C[6]S[6]C)(C[6]C[6]HH){1|C<4>,2|S<2>,3|H<1>}	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[6](C[6]S[6]2H)(S[6]C[6])2(CHO){3|C<4>,4|H<1>}	101.0920	1.509	4	101.0920	2.276	4	101.0920	2.276	4	101.4738	1.757	6	99.2505	5.444	298	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6]	C[6]	4:4:	4:2:1:1:	4:2:2:4:	C[6]-4:C[6]-4:	C[6]-4:S[6]-2:H-1:H-1:	C-4:S[6]-2:S[6]-2:C-4:	S[6](C[6]C[6]HH)(C[6]S[6]CC)	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	C[6](CC[6a]HH)(S[6]C[6])2(CHHN)	S[6](C[6]C[6]HH)(C[6]S[6]CC){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|S<2>,2|C<4>,2|H<1>}	C[6](CC[6a]HH)(S[6]C[6])2(CHHN){1|C<4>,4|H<1>}	101.8755	0.360	2	101.8755	0.130	2	101.8755	0.130	2	101.8755	0.130	2	99.2505	5.444	298	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6]	C[6]	4:4:	4:2:1:1:	4:2:3:1:	C[6]-4:C[6]-4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:S[6]-2:C-3:H-1:	S[6](C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	C[6](C[6]C[6]HO)(S[6]C[6])(COO)(H)	S[6](C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HO)(S[6]C[6])(COO)(H){1|C<4>,4|H<1>}	100.8100	0.000	1	100.8100	0.000	1	100.8100	0.000	1	100.8100	0.000	1	99.2505	5.444	298	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6]	C[6]	4:4:	4:2:2:1:	4:2:1:1:	C[6]-4:C[6]-4:	C[6,6]-4:S[6]-2:S[6]-2:H-1:	C[6]-4:S[6]-2:H-1:H-1:	S[6](C[6]C[6,6]S[6]H)(C[6]C[6]HH)	C[6](C[6,6]C[4,6,6]O[6,6]H)(S[6]C[6])2(H)	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	S[6](C[6]C[6,6]S[6]H)(C[6]C[6]HH){1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6]C[4,6,6]O[6,6]H)(S[6]C[6])2(H){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|C<4>,1|S<2>,3|H<1>}	97.6908	0.854	2	97.6908	0.729	2	97.6908	0.729	2	98.1606	1.026	3	99.2505	5.444	298	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6]	C[6]	4:4:	4:2:2:1:	4:2:1:1:	C[6]-4:C[6]-4:	C[6]-4:S[6]-2:C-2:H-1:	C[6]-4:S[6]-2:H-1:H-1:	S[6](C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[6]C[6]S[6]C)(S[6]C[6])(CC)(H)	C[6](C[6]S[6]HH)(S[6]C[6])(H)2	S[6](C[6]C[6]CH)(C[6]C[6]HH){1|S<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]S[6]C)(S[6]C[6])(CC)(H){1|C<2>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]S[6]HH)(S[6]C[6])(H)2{1|C<2>,1|C<4>,1|H<1>}	99.1001	0.000	1	99.1001	0.000	1	99.1001	0.000	1	98.1606	1.026	3	99.2505	5.444	298	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6]	C[6]	4:4:	4:2:2:4:	4:2:1:1:	C[6]-4:C[6]-4:	C[3]-4:S[6]-2:S[6]-2:C-4:	C[6]-4:S[6]-2:H-1:H-1:	S[6](C[6]C[3]S[6]C)(C[6]C[6]HH)	C[6](C[3]C[3]2H)(S[6]C[6])2(CCHH)	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	S[6](C[6]C[3]S[6]C)(C[6]C[6]HH){3|C<4>,3|H<1>}	C[6](C[3]C[3]2H)(S[6]C[6])2(CCHH){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|S<2>,2|C<4>,2|H<1>}	101.7910	0.412	2	101.7910	0.169	2	101.7910	0.169	2	101.7910	0.169	2	99.2505	5.444	298	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6]	C[6]	4:4:	4:2:3:1:	4:2:1:1:	C[6]-4:C[6]-4:	C[6]-4:S[6]-2:C-3:H-1:	C[6]-4:S[6]-2:H-1:H-1:	S[6](C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[6]C[6a]C[6]H)(S[6]C[6])(CC[6a]O)(H)	C[6](C[6]C[6]CH)(S[6]C[6])(H)2	S[6](C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(S[6]C[6])(CC[6a]O)(H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(S[6]C[6])(H)2{1|C<4>,2|C<3>,2|H<1>}	97.7942	0.000	1	97.7942	0.000	1	97.7942	0.000	1	97.7942	0.000	1	99.2505	5.444	298	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6]	C[6]	4:4:	4:2:3:1:	4:2:3:1:	C[6]-4:C[6]-4:	C[6]-4:S[6]-2:C-3:H-1:	C[6]-4:S[6]-2:C-3:Cl-1:	S[6](C[6]C[6]ClC)(C[6]C[6]CH)	C[6](C[6]C[6a]C[6]H)(S[6]C[6])(CC[6a]O)(H)	C[6](C[6]C[6]BrH)(S[6]C[6])(CC[6a]O)(Cl)	S[6](C[6]C[6]ClC)(C[6]C[6]CH){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(S[6]C[6])(CC[6a]O)(H){1|Cl<1>,1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]BrH)(S[6]C[6])(CC[6a]O)(Cl){1|C<3>,1|C<4>,3|H<1>}	99.2035	0.000	1	99.2035	0.000	1	99.2035	0.000	1	99.2035	0.000	1	99.2505	5.444	298	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6]	C[6]	4:4:	4:2:4:1:	4:2:1:1:	C[6]-4:C[6]-4:	C[6]-4:S[6]-2:C-4:H-1:	C[6]-4:S[6]-2:H-1:H-1:	S[6](C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[6]C[6]HO)(S[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(S[6]C[6])(H)2	S[6](C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(S[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(S[6]C[6])(H)2{1|O<2>,2|C<4>,2|H<1>}	98.2323	2.327	2	98.2323	5.416	2	98.2323	5.416	2	98.2323	5.416	2	99.2505	5.444	298	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6]	C[6]	4:4:	4:2:4:1:	4:2:4:1:	C[6]-4:C[6]-4:	C[6]-4:S[6]-2:C-4:H-1:	C[6]-4:S[6]-2:C-4:H-1:	S[6](C[6]C[6]CH)2	C[6](C[6]C[6]HH)(S[6]C[6])(CCHH)(H)	C[6](C[6]C[6]HH)(S[6]C[6])(CCHH)(H)	S[6](C[6]C[6]CH)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(S[6]C[6])(CCHH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(S[6]C[6])(CCHH)(H){2|C<4>,3|H<1>}	101.0320	0.000	1	101.0320	0.000	1	101.0320	0.000	1	101.0320	0.000	1	99.2505	5.444	298	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6]	C[6]	4:4:	4:2:4:4:	4:2:4:4:	C[6]-4:C[6]-4:	C[5,6]-4:S[6]-2:C-4:C-4:	C[5,6]-4:S[6]-2:C-4:C-4:	S[6](C[6]C[5,6]CC)2	C[6](C[5,6]O[5,6]C[6a]O[5])(S[6]C[6])(CH3)2	C[6](C[5,6]O[5,6]C[6a]O[5])(S[6]C[6])(CH3)2	S[6](C[6]C[5,6]CC)2{2|C<3>,3|O<2>}	C[6](C[5,6]O[5,6]C[6a]O[5])(S[6]C[6])(CH3)2{1|O<2>,2|C<3>,3|C<4>}	C[6](C[5,6]O[5,6]C[6a]O[5])(S[6]C[6])(CH3)2{1|O<2>,2|C<3>,3|C<4>}	104.2140	0.000	1	104.2140	0.000	1	104.2140	0.000	1	104.2140	0.000	1	99.2505	5.444	298	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6]	C[6]	4:4:	4:3:2:1:	4:2:1:1:	C[6]-4:C[6]-4:	C[6,6]-4:C[6a]-3:S[6]-2:H-1:	C[6]-4:S[6]-2:H-1:H-1:	S[6](C[6]C[6,6]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(S[6]C[6])(H)	C[6](C[6]C[6,6]HH)(S[6]C[6])(H)2	S[6](C[6]C[6,6]C[6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(S[6]C[6])(H){1|F<1>,2|C<4>,3|C<3>,6|H<1>}	C[6](C[6]C[6,6]HH)(S[6]C[6])(H)2{1|C<4>,2|C<3>,2|H<1>}	97.9179	0.000	1	97.9179	0.000	1	97.9179	0.000	1	97.9179	0.000	1	99.2505	5.444	298	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6]	C[6]	4:4:	4:3:2:1:	4:3:2:1:	C[6]-4:C[6]-4:	C[6,6]-4:C[6a]-3:S[6]-2:H-1:	C[6,6]-4:C[6a]-3:S[6]-2:H-1:	S[6](C[6]C[6,6]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(S[6]C[6])(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(S[6]C[6])(H)	S[6](C[6]C[6,6]C[6a]H)2{2|H<1>,3|C<4>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(S[6]C[6])(H){1|C<4>,1|N<3>,4|C<3>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(S[6]C[6])(H){1|C<4>,1|N<3>,4|C<3>,6|H<1>}	98.5798	0.292	2	98.5798	0.085	2	98.5798	0.085	2	98.5049	0.060	3	99.2505	5.444	298	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6]	C[6]	4:4:	4:3:2:1:	4:3:2:1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:S[6]-2:H-1:	C[6]-4:C[6a]-3:S[6]-2:H-1:	S[6](C[6]C[6a]C[6]H)2	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(S[6]C[6])(H)	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(S[6]C[6])(H)	S[6](C[6]C[6a]C[6]H)2{1|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(S[6]C[6])(H){1|C<4>,1|N<3>,1|S<2>,3|C<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(S[6]C[6])(H){1|C<4>,1|N<3>,1|S<2>,3|C<3>,3|H<1>}	98.3551	0.000	1	98.3551	0.000	1	98.3551	0.000	1	98.5049	0.060	3	99.2505	5.444	298	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6]	C[6]	4:4:	4:3:2:2:	4:2:1:1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:S[6]-2:S[6]-2:	C[6]-4:S[6]-2:H-1:H-1:	S[6](C[6]C[6a]C[6]S[6])(C[6]C[6]HH)	C[6](C[6]C[6a]S[6]2)(C[6a]C[6a]2)(S[6]C[6])2	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	S[6](C[6]C[6a]C[6]S[6])(C[6]C[6]HH){1|C<4>,2|H<1>,2|S<2>,3|C<3>}	C[6](C[6]C[6a]S[6]2)(C[6a]C[6a]2)(S[6]C[6])2{3|C<4>,4|C<3>,6|H<1>}	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	100.3843	0.282	4	100.3843	0.080	4	100.3843	0.080	4	100.3843	0.080	4	99.2505	5.444	298	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6]	C[6]	4:4:	4:3:2:4:	4:2:1:1:	C[6]-4:C[6]-4:	C[6]-4:S[6]-3:S[6]-2:C-4:	C[6]-4:S[6]-2:H-1:H-1:	S[6](C[6]C[6]S[6]C)(C[6]C[6]HH)	C[6](C[6]C[6]O[6]H)(S[6]C[6]O)(S[6]C[6])(CH3)	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	S[6](C[6]C[6]S[6]C)(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6]O[6]H)(S[6]C[6]O)(S[6]C[6])(CH3){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|S<3>,2|C<4>,2|H<1>}	102.7730	0.458	2	102.7730	0.210	2	102.7730	0.210	2	102.7730	0.210	2	99.2505	5.444	298	99.4830	7.133	373
286	466	466	6:SP3_SP3_SP3	S[6]	C[6]	C[6]	4:4:	4:4:4:2:	3:2:1:1:	C[6]-4:C[6]-4:	C[5]-4:C[5]-4:C[6]-4:S[6]-2:	C[6]-3:S[6]-2:H-1:H-1:	S[6](C[6]C[5]2C[6])(C[6]C[6]HH)	C[6](C[5]C[5]2Fe)2(C[6]C[6]HH)(S[6]C[6])	C[6](C[6]C[6]C)(S[6]C[6])(H)2	S[6](C[6]C[5]2C[6])(C[6]C[6]HH){2|Fe<10>,1|C<3>,2|H<1>,5|C<4>}	C[6](C[5]C[5]2Fe)2(C[6]C[6]HH)(S[6]C[6]){1|C<3>,5|C<4>,6|H<1>}	C[6](C[6]C[6]C)(S[6]C[6])(H)2{4|C<4>}	97.3011	0.000	1	97.3011	0.000	1	97.3011	0.000	1	97.3011	0.000	1	99.2505	5.444	298	99.4830	7.133	373
286	466	474	6:SP3_SP3_SP3	S[6,6]	C[3x6]	C[5,6,6]	4:4:	2:3:3:4:	4:3:2:3:	C[5,6,6]-4:C[3x6]-4:	S[6,6]-2:C[6,6]-3:N[6,6]-3:C-4:	C[3x6]-4:C[5,6a]-3:S[6,6]-2:C[5]-3:	S[6,6](C[5,6,6]C[5,6a]C[3x6]C[5])(C[3x6]C[6,6]N[6,6]C)	C[3x6](S[6,6]C[5,6,6])(C[6,6]N[6,6]O)(N[6,6]C[6,6]C)(CH3)	C[5,6,6](C[3x6]C[6,6]N[6,6]H)(C[5,6a]C[5,6a]C[6a])(S[6,6]C[3x6])(C[5]N[5]O)	S[6,6](C[5,6,6]C[5,6a]C[3x6]C[5])(C[3x6]C[6,6]N[6,6]C){1|C<4>,1|H<1>,2|N<3>,2|O<1>,3|C<3>}	C[3x6](S[6,6]C[5,6,6])(C[6,6]N[6,6]O)(N[6,6]C[6,6]C)(CH3){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6,6](C[3x6]C[6,6]N[6,6]H)(C[5,6a]C[5,6a]C[6a])(S[6,6]C[3x6])(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	96.6693	0.000	1	96.6693	0.000	1	96.6693	0.000	1	96.6693	0.000	1	96.6693	0.000	1	100.4448	5.661	40
286	466	474	6:SP3_SP3_SP3	S[6]	C[6,6]	C[5,6,6]	4:4:	3:2:4:1:	4:3:3:2:	C[5,6,6]-4:C[6,6]-4:	C[6,6]-3:S[6]-2:C[6]-4:H-1:	C[5,6]-4:N[5,6]-3:C[6]-3:S[6]-2:	S[6](C[5,6,6]C[5,6]N[5,6]C[6])(C[6,6]C[6,6]C[6]H)	C[6,6](C[6,6]C[5,6,6]O)(S[6]C[5,6,6])(C[6]C[6]HO)(H)	C[5,6,6](C[5,6]C[5,6,6]HH)(N[5,6]C[5,6]C[6])(C[6]N[5,6,6]O)(S[6]C[6,6])	S[6](C[5,6,6]C[5,6]N[5,6]C[6])(C[6,6]C[6,6]C[6]H){1|C<3>,1|N<3>,1|O<2>,2|O<1>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[5,6,6]O)(S[6]C[5,6,6])(C[6]C[6]HO)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6,6](C[5,6]C[5,6,6]HH)(N[5,6]C[5,6]C[6])(C[6]N[5,6,6]O)(S[6]C[6,6]){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	97.9629	0.000	1	97.9629	0.000	1	98.5508	0.691	2	98.5508	0.691	2	99.4131	0.613	7	100.4448	5.661	40
286	466	474	6:SP3_SP3_SP3	S[6]	C[6,6]	C[5,6,6]	4:4:	3:2:4:1:	4:3:3:2:	C[5,6,6]-4:C[6,6]-4:	C[6,6]-3:S[6]-2:C[6]-4:H-1:	C[5,6]-4:N[5,6]-3:C[6]-3:S[6]-2:	S[6](C[5,6,6]C[5,6]N[5,6]C[6])(C[6,6]C[6,6]C[6]H)	C[6,6](C[6,6]C[5,6,6]O)(S[6]C[5,6,6])(C[6]C[6]HO)(H)	C[5,6,6](C[5,6]C[5,6,6]HH)(N[5,6]C[5,6]C[6])(C[6]N[5,6]O)(S[6]C[6,6])	S[6](C[5,6,6]C[5,6]N[5,6]C[6])(C[6,6]C[6,6]C[6]H){1|C<3>,1|N<3>,1|O<2>,2|O<1>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[5,6,6]O)(S[6]C[5,6,6])(C[6]C[6]HO)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6,6](C[5,6]C[5,6,6]HH)(N[5,6]C[5,6]C[6])(C[6]N[5,6]O)(S[6]C[6,6]){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	99.1388	0.000	1	99.1388	0.000	1	98.5508	0.691	2	98.5508	0.691	2	99.4131	0.613	7	100.4448	5.661	40
286	466	474	6:SP3_SP3_SP3	S[6]	C[6,6]	C[5,6,6]	4:4:	4:2:4:1:	3:4:3:2:	C[5,6,6]-4:C[6,6]-4:	C[6,6]-4:S[6]-2:C[6]-4:H-1:	N[5,6,6]-3:C[5]-4:C[6]-3:S[6]-2:	S[6](C[5,6,6]N[5,6,6]C[5]C[6])(C[6,6]C[6,6]C[6]H)	C[6,6](C[6,6]C[5,6,6]HO)(S[6]C[5,6,6])(C[6]C[6]HH)(H)	C[5,6,6](N[5,6,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(S[6]C[6,6])	S[6](C[5,6,6]N[5,6,6]C[5]C[6])(C[6,6]C[6,6]C[6]H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6,6]HO)(S[6]C[5,6,6])(C[6]C[6]HH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[5,6,6](N[5,6,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(S[6]C[6,6]){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	99.7581	0.476	5	99.7581	0.226	5	99.7581	0.226	5	99.7581	0.226	5	99.4131	0.613	7	100.4448	5.661	40
286	466	474	6:SP3_SP3_SP3	S[6]	C[6]	C[5,6]	4:4:	3:2:1:1:	4:2:2:1:	C[5,6]-4:C[6]-4:	C[6]-3:S[6]-2:Cl-1:Cl-1:	C[5,6]-4:S[5]-2:S[6]-2:Cl-1:	S[6](C[5,6]C[5,6]S[5]Cl)(C[6]C[6]Cl2)	C[6](C[6]S[6]Cl)(S[6]C[5,6])(Cl)2	C[5,6](C[5,6]S[5]S[6]Cl)(S[5]C[5])(S[6]C[6])(Cl)	S[6](C[5,6]C[5,6]S[5]Cl)(C[6]C[6]Cl2){2|Cl<1>,1|C<3>,2|S<2>}	C[6](C[6]S[6]Cl)(S[6]C[5,6])(Cl)2{1|Cl<1>,1|C<4>,1|S<2>}	C[5,6](C[5,6]S[5]S[6]Cl)(S[5]C[5])(S[6]C[6])(Cl){2|Cl<1>,1|C<3>,1|O<1>}	105.1830	0.000	1	105.1830	0.000	1	105.1830	0.000	1	105.1830	0.000	1	100.7884	6.181	32	100.4448	5.661	40
286	466	474	6:SP3_SP3_SP3	S[6]	C[6]	C[5,6]	4:4:	3:2:1:1:	4:3:2:2:	C[5,6]-4:C[6]-4:	C[6,6a]-3:S[6]-2:H-1:H-1:	C[5]-4:C[6]-3:O[5]-2:S[6]-2:	S[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[5,6])(H)2	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(O[5]N[5])(S[6]C[6])	S[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6a]HH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[5,6])(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(O[5]N[5])(S[6]C[6]){3|H<1>,6|C<3>}	95.1460	0.000	1	96.6806	4.710	2	96.6806	4.710	2	96.6806	4.710	2	100.7884	6.181	32	100.4448	5.661	40
286	466	474	6:SP3_SP3_SP3	S[6]	C[6]	C[5,6]	4:4:	3:2:1:1:	4:3:2:2:	C[5,6]-4:C[6]-4:	C[6,6a]-3:S[6]-2:H-1:H-1:	C[5]-4:C[6]-3:O[5]-2:S[6]-2:	S[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[5,6])(H)2	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(O[5]N[5])(S[6]C[6])	S[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6a]HH){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[5,6])(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(O[5]N[5])(S[6]C[6]){2|H<1>,5|C<3>}	98.2151	0.000	1	96.6806	4.710	2	96.6806	4.710	2	96.6806	4.710	2	100.7884	6.181	32	100.4448	5.661	40
286	466	474	6:SP3_SP3_SP3	S[6]	C[6]	C[5,6]	4:4:	4:2:1:1:	3:2:2:2:	C[5,6]-4:C[6]-4:	C[6]-4:S[6]-2:H-1:H-1:	C[5]-3:O[5]-2:S[6]-2:S[6]-2:	S[6](C[5,6]C[5]O[5]S[6])(C[6]C[6]HH)	C[6](C[6]C[6]HH)(S[6]C[5,6])(H)2	C[5,6](C[5]C[5,6]O)(O[5]C[5,6])(S[6]C[6])2	S[6](C[5,6]C[5]O[5]S[6])(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(S[6]C[5,6])(H)2{1|C<3>,1|O<2>,1|S<2>,2|H<1>}	C[5,6](C[5]C[5,6]O)(O[5]C[5,6])(S[6]C[6])2{3|C<4>,4|H<1>}	100.1411	1.191	2	100.1411	1.418	2	99.9013	0.637	6	99.9013	0.637	6	100.7884	6.181	32	100.4448	5.661	40
286	466	474	6:SP3_SP3_SP3	S[6]	C[6]	C[5,6]	4:4:	4:2:1:1:	3:2:2:2:	C[5,6]-4:C[6]-4:	C[6]-4:S[6]-2:H-1:H-1:	C[5]-3:O[5]-2:S[6]-2:S[6]-2:	S[6](C[5,6]C[5]O[5]S[6])(C[6]C[6]HH)	C[6](C[6]C[6]HH)(S[6]C[5,6])(H)2	C[5,6](C[5]C[5,6a]O)(O[5]C[5,6a])(S[6]C[6])2	S[6](C[5,6]C[5]O[5]S[6])(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(S[6]C[5,6])(H)2{1|C<3>,1|O<2>,1|S<2>,2|H<1>}	C[5,6](C[5]C[5,6a]O)(O[5]C[5,6a])(S[6]C[6])2{1|C<4>,2|C<3>,4|H<1>}	99.8361	0.840	2	99.8361	0.705	2	99.9013	0.637	6	99.9013	0.637	6	100.7884	6.181	32	100.4448	5.661	40
286	466	474	6:SP3_SP3_SP3	S[6]	C[6]	C[5,6]	4:4:	4:2:1:1:	3:2:2:2:	C[5,6]-4:C[6]-4:	C[6]-4:S[6]-2:H-1:H-1:	C[5]-3:O[5]-2:S[6]-2:S[6]-2:	S[6](C[5,6]C[5]O[5]S[6])(C[6]C[6]HH)	C[6](C[6]C[6]HH)(S[6]C[5,6])(H)2	C[5,6](C[5]C[5]H)(O[5]C[5])(S[6]C[6])2	S[6](C[5,6]C[5]O[5]S[6])(C[6]C[6]HH){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(S[6]C[5,6])(H)2{1|C<3>,1|O<2>,1|S<2>,2|H<1>}	C[5,6](C[5]C[5]H)(O[5]C[5])(S[6]C[6])2{1|C<4>,2|C<3>,5|H<1>}	99.7268	0.938	2	99.7268	0.880	2	99.9013	0.637	6	99.9013	0.637	6	100.7884	6.181	32	100.4448	5.661	40
286	466	474	6:SP3_SP3_SP3	S[6]	C[6]	C[5,6]	4:4:	4:2:1:1:	3:3:2:2:	C[5,6]-4:C[6]-4:	C[6]-4:S[6]-2:H-1:H-1:	C[5]-3:N[5]-3:S[6]-2:S[6]-2:	S[6](C[5,6]C[5]N[5]S[6])(C[6]C[6]HH)	C[6](C[6]C[6]HH)(S[6]C[5,6])(H)2	C[5,6](C[5]C[5]H)(N[5]C[5]H)(S[6]C[6])2	S[6](C[5,6]C[5]N[5]S[6])(C[6]C[6]HH){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(S[6]C[5,6])(H)2{1|C<3>,1|N<3>,1|S<2>,2|H<1>}	C[5,6](C[5]C[5]H)(N[5]C[5]H)(S[6]C[6])2{1|C<4>,2|C<3>,5|H<1>}	99.2666	0.475	2	99.2666	0.225	2	99.2666	0.225	2	99.2666	0.225	2	100.7884	6.181	32	100.4448	5.661	40
286	466	474	6:SP3_SP3_SP3	S[6]	C[6]	C[5,6]	4:4:	4:2:1:1:	4:3:2:1:	C[5,6]-4:C[6]-4:	C[6]-4:S[6]-2:H-1:H-1:	C[5,6]-4:C[5]-3:S[6]-2:H-1:	S[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)	C[6](C[6]C[5,6]HO)(S[6]C[5,6])(H)2	C[5,6](C[5,6]C[5,6]HO)(C[5]O[5]O)(S[6]C[6])(H)	S[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH){1|C<4>,1|O<1>,2|H<1>,3|O<2>}	C[6](C[6]C[5,6]HO)(S[6]C[5,6])(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[5]O[5]O)(S[6]C[6])(H){1|C<4>,3|H<1>}	98.4214	0.333	3	98.4214	0.111	3	98.4214	0.111	3	98.4214	0.111	3	100.7884	6.181	32	100.4448	5.661	40
286	466	474	6:SP3_SP3_SP3	S[6]	C[6]	C[5,6]	4:4:	4:2:1:1:	4:3:2:2:	C[5,6]-4:C[6]-4:	C[6]-4:S[6]-2:H-1:H-1:	C[5]-4:C[5]-3:S[6]-2:S[6]-2:	S[6](C[5,6]C[5]2S[6])(C[6]C[6]HH)	C[6](C[6]C[6]HH)(S[6]C[5,6])(H)2	C[5,6](C[5]C[5]CH)(C[5]C[5]H)(S[6]C[6])2	S[6](C[5,6]C[5]2S[6])(C[6]C[6]HH){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(S[6]C[5,6])(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[5,6](C[5]C[5]CH)(C[5]C[5]H)(S[6]C[6])2{1|C<4>,2|C<3>,5|H<1>}	105.0625	1.496	2	105.0625	2.237	2	104.8197	1.418	4	104.8197	1.418	4	100.7884	6.181	32	100.4448	5.661	40
286	466	474	6:SP3_SP3_SP3	S[6]	C[6]	C[5,6]	4:4:	4:2:1:1:	4:3:2:2:	C[5,6]-4:C[6]-4:	C[6]-4:S[6]-2:H-1:H-1:	C[5]-4:C[5]-3:S[6]-2:S[6]-2:	S[6](C[5,6]C[5]2S[6])(C[6]C[6]HH)	C[6](C[6]C[6]HH)(S[6]C[5,6])(H)2	C[5,6](C[5]C[6a]C[5]O)(C[5]C[5]H)(S[6]C[6])2	S[6](C[5,6]C[5]2S[6])(C[6]C[6]HH){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(S[6]C[5,6])(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[5,6](C[5]C[6a]C[5]O)(C[5]C[5]H)(S[6]C[6])2{1|C<4>,4|C<3>,4|H<1>}	104.5770	1.335	2	104.5770	1.782	2	104.8197	1.418	4	104.8197	1.418	4	100.7884	6.181	32	100.4448	5.661	40
286	466	474	6:SP3_SP3_SP3	S[6]	C[6]	C[5,6]	4:4:	4:2:1:1:	4:4:2:2:	C[5,6]-4:C[6]-4:	C[6]-4:S[6]-2:H-1:H-1:	C[5,5]-4:C[5]-4:S[6]-2:S[6]-2:	S[6](C[5,6]C[5,5]C[5]S[6])(C[6]C[6]HH)	C[6](C[6]C[6]HH)(S[6]C[5,6])(H)2	C[5,6](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(S[6]C[6])2	S[6](C[5,6]C[5,5]C[5]S[6])(C[6]C[6]HH){1|N<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(S[6]C[5,6])(H)2{1|S<2>,2|C<4>,2|H<1>}	C[5,6](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(S[6]C[6])2{1|O<2>,4|C<4>,6|H<1>}	101.7963	1.016	4	101.7963	1.032	4	101.7963	1.032	4	101.5726	2.258	10	100.7884	6.181	32	100.4448	5.661	40
286	466	474	6:SP3_SP3_SP3	S[6]	C[6]	C[5,6]	4:4:	4:2:1:1:	4:4:2:2:	C[5,6]-4:C[6]-4:	C[6]-4:S[6]-2:H-1:H-1:	C[5,6]-4:C[5]-4:S[6]-2:S[6]-2:	S[6](C[5,6]C[5,6]C[5]S[6])(C[6]C[6]HH)	C[6](C[6]C[6]HH)(S[6]C[5,6])(H)2	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(S[6]C[6])2	S[6](C[5,6]C[5,6]C[5]S[6])(C[6]C[6]HH){4|C<4>,5|H<1>}	C[6](C[6]C[6]HH)(S[6]C[5,6])(H)2{1|S<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(S[6]C[6])2{1|C<3>,1|O<2>,1|S<4>,3|C<4>,6|H<1>}	100.0049	0.700	2	100.0049	0.490	2	100.8632	2.284	4	101.5726	2.258	10	100.7884	6.181	32	100.4448	5.661	40
286	466	474	6:SP3_SP3_SP3	S[6]	C[6]	C[5,6]	4:4:	4:2:1:1:	4:4:2:2:	C[5,6]-4:C[6]-4:	C[6]-4:S[6]-2:H-1:H-1:	C[5,6]-4:C[5]-4:S[6]-2:S[6]-2:	S[6](C[5,6]C[5,6]C[5]S[6])(C[6]C[6]HH)	C[6](C[6]C[6]HH)(S[6]C[5,6])(H)2	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(S[6]C[6])2	S[6](C[5,6]C[5,6]C[5]S[6])(C[6]C[6]HH){1|N<3>,3|C<4>,5|H<1>}	C[6](C[6]C[6]HH)(S[6]C[5,6])(H)2{1|S<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(S[6]C[6])2{1|C<2>,3|C<4>,7|H<1>}	101.7215	1.848	2	101.7215	3.414	2	100.8632	2.284	4	101.5726	2.258	10	100.7884	6.181	32	100.4448	5.661	40
286	466	474	6:SP3_SP3_SP3	S[6]	C[6]	C[5,6]	4:4:	4:2:1:1:	4:4:2:2:	C[5,6]-4:C[6]-4:	C[6]-4:S[6]-2:H-1:H-1:	C[5]-4:C[5]-4:S[6]-2:S[6]-2:	S[6](C[5,6]C[5]2S[6])(C[6]C[6]HH)	C[6](C[6]C[6]HH)(S[6]C[5,6])(H)2	C[5,6](C[5]C[5]CH)(C[5]C[5]HH)(S[6]C[6])2	S[6](C[5,6]C[5]2S[6])(C[6]C[6]HH){4|C<4>,5|H<1>}	C[6](C[6]C[6]HH)(S[6]C[5,6])(H)2{1|S<2>,2|C<4>,2|H<1>}	C[5,6](C[5]C[5]CH)(C[5]C[5]HH)(S[6]C[6])2{1|C<4>,2|O<2>,6|H<1>}	102.5440	2.505	2	102.5440	6.273	2	102.5440	6.273	2	101.5726	2.258	10	100.7884	6.181	32	100.4448	5.661	40
286	466	474	6:SP3_SP3_SP3	S[6]	C[6]	C[5,6]	4:4:	4:2:3:1:	3:4:3:2:	C[5,6]-4:C[6]-4:	C[6]-4:S[6]-2:C-3:H-1:	C[5,6a]-3:C[6]-4:C[5]-3:S[6]-2:	S[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]CH)	C[6](C[6]C[6]HO)(S[6]C[5,6])(CC[6a]O)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[5]N[5]O)(S[6]C[6])	S[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]CH){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]HO)(S[6]C[5,6])(CC[6a]O)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[5]N[5]O)(S[6]C[6]){1|Br<1>,1|C<4>,4|H<1>,5|C<3>}	99.0906	0.943	2	99.0906	0.889	2	99.0906	0.889	2	99.0906	0.889	2	100.7884	6.181	32	100.4448	5.661	40
286	466	474	6:SP3_SP3_SP3	S[6]	C[6]	C[5,6]	4:4:	4:2:4:1:	3:3:2:2:	C[5,6]-4:C[6]-4:	C[6]-4:S[6]-2:C-4:H-1:	C[5a]-3:N[5,6]-3:S[5]-2:S[6]-2:	S[6](C[5,6]N[5,6]C[5a]S[5])(C[6]C[6]CH)	C[6](C[6]C[6]HH)(S[6]C[5,6])(CH3)(H)	C[5,6](C[5a]C[5a,6a]C[5a])(N[5,6]C[5]C[6])(S[5]C[5])(S[6]C[6])	S[6](C[5,6]N[5,6]C[5a]S[5])(C[6]C[6]CH){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]HH)(S[6]C[5,6])(CH3)(H){1|C<3>,1|N<3>,1|O<1>,1|S<2>}	C[5,6](C[5a]C[5a,6a]C[5a])(N[5,6]C[5]C[6])(S[5]C[5])(S[6]C[6]){1|N<3>,1|O<1>,2|C<3>,2|C<4>,6|H<1>}	100.1470	0.918	2	100.1470	0.843	2	100.1470	0.843	2	100.1470	0.843	2	100.7884	6.181	32	100.4448	5.661	40
286	466	478	6:SP3_SP3_SP3	S[6]	C[6]	C[4,6]	4:4:	2:3:1:1:	3:4:2:1:	C[4,6]-4:C[6]-4:	S[6]-2:C[6]-3:H-1:H-1:	N[4,6]-3:C[4]-4:S[6]-2:H-1:	S[6](C[4,6]N[4,6]C[4]H)(C[6]C[6]HH)	C[6](S[6]C[4,6])(C[6]C[6]C)(H)2	C[4,6](N[4,6]C[4]C[6])(C[4]C[4]HN)(S[6]C[6])(H)	S[6](C[4,6]N[4,6]C[4]H)(C[6]C[6]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](S[6]C[4,6])(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[4,6](N[4,6]C[4]C[6])(C[4]C[4]HN)(S[6]C[6])(H){1|O<1>,2|C<3>,2|H<1>}	94.4103	1.923	8	94.2525	3.458	9	94.2525	3.458	9	94.2525	3.458	9	94.7559	4.117	11	94.7559	4.117	11
286	466	478	6:SP3_SP3_SP3	S[6]	C[6]	C[4,6]	4:4:	2:3:1:1:	3:4:2:1:	C[4,6]-4:C[6]-4:	S[6]-2:C[6]-3:H-1:H-1:	N[4,6]-3:C[4]-4:S[6]-2:H-1:	S[6](C[4,6]N[4,6]C[4]H)(C[6]C[6]HH)	C[6](S[6]C[4,6])(C[6]C[6]C)(H)2	C[4,6](N[4,6]C[4]C[6])(C[4]C[4]HN)(S[6]C[6])(H)	S[6](C[4,6]N[4,6]C[4]H)(C[6]C[6]HH){1|H<1>,1|N<3>,3|C<3>}	C[6](S[6]C[4,6])(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[4,6](N[4,6]C[4]C[6])(C[4]C[4]HN)(S[6]C[6])(H){1|O<1>,2|C<3>,2|H<1>}	92.9901	0.000	1	94.2525	3.458	9	94.2525	3.458	9	94.2525	3.458	9	94.7559	4.117	11	94.7559	4.117	11
286	466	478	6:SP3_SP3_SP3	S[6]	C[6]	C[4,6]	4:4:	3:2:1:1:	3:4:2:1:	C[4,6]-4:C[6]-4:	C[5,6]-3:S[6]-2:H-1:H-1:	N[4,6]-3:C[4]-4:S[6]-2:H-1:	S[6](C[4,6]N[4,6]C[4]H)(C[6]C[5,6]HH)	C[6](C[5,6]C[5,6]C[5])(S[6]C[4,6])(H)2	C[4,6](N[4,6]C[5,6]C[4])(C[4]C[4]HN)(S[6]C[6])(H)	S[6](C[4,6]N[4,6]C[4]H)(C[6]C[5,6]HH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[5,6]C[5,6]C[5])(S[6]C[4,6])(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C[4,6](N[4,6]C[5,6]C[4])(C[4]C[4]HN)(S[6]C[6])(H){1|O<1>,2|C<3>,2|H<1>}	96.3254	0.000	1	96.3254	0.000	1	96.3254	0.000	1	96.3254	0.000	1	94.7559	4.117	11	94.7559	4.117	11
286	466	478	6:SP3_SP3_SP3	S[6]	C[6]	C[4,6]	4:4:	4:2:1:1:	3:3:4:2:	C[4,6]-4:C[6]-4:	C[6]-4:S[6]-2:H-1:H-1:	N[4,6]-3:C[6a]-3:C[4]-4:S[6]-2:	S[6](C[4,6]N[4,6]C[6a]C[4])(C[6]C[6]HH)	C[6](C[6]C[6]HH)(S[6]C[4,6])(H)2	C[4,6](N[4,6]C[4]C[6])(C[6a]C[6a]2)(C[4]C[4]CH)(S[6]C[6])	S[6](C[4,6]N[4,6]C[6a]C[4])(C[6]C[6]HH){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(S[6]C[4,6])(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[4,6](N[4,6]C[4]C[6])(C[6a]C[6a]2)(C[4]C[4]CH)(S[6]C[6]){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	97.7166	0.000	1	97.7166	0.000	1	97.7166	0.000	1	97.7166	0.000	1	94.7559	4.117	11	94.7559	4.117	11
286	466	643	6:SP2_SP2_SP3	S[6]	C[6,6]	C[6,6a]	3:4:	2:4:3:3:	3:3:2:	C[6,6a]-3:C[6,6]-4:	S[6]-2:C[6]-4:C[6]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)	C[6,6](S[6]C[6,6a])(C[6]O[6]CC)(C[6]C[6]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(S[6]C[6,6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3){1|O<1>,1|O<2>,2|H<1>,6|C<3>}	C[6,6](S[6]C[6,6a])(C[6]O[6]CC)(C[6]C[6]H)(C[6]C[6]O){1|C<4>,1|S<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(S[6]C[6,6]){1|S<2>,2|C<4>,3|C<3>}	100.3780	0.000	1	100.3780	0.000	1	100.3780	0.000	1	100.3780	0.000	1	99.6045	6.753	21	99.8290	8.852	159
286	466	643	6:SP2_SP2_SP3	S[6]	C[6,6]	C[6,6a]	3:4:	3:2:4:4:	3:2:2:	C[6,6a]-3:C[6,6]-4:	C[6,6]-3:S[6]-2:C[6]-4:C-4:	C[6,6a]-3:N[6a]-2:S[6]-2:	S[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]C[6]C)	C[6,6](C[6,6]C[6,6]C[6])(S[6]C[6,6a])(C[6]C[6]HH)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(S[6]C[6,6])	S[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]C[6]C){2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6]C[6])(S[6]C[6,6a])(C[6]C[6]HH)(CH3){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(S[6]C[6,6]){2|C<4>,2|H<1>,3|C<3>}	103.0110	0.000	1	103.0110	0.000	1	103.0110	0.000	1	103.0110	0.000	1	99.6045	6.753	21	99.8290	8.852	159
286	466	643	6:SP2_SP2_SP3	S[6]	C[6,6]	C[6,6a]	3:4:	3:4:2:1:	3:3:2:	C[6,6a]-3:C[6,6]-4:	C[6,6]-3:C[6]-4:S[6]-2:H-1:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6a]C[6]H)(S[6]C[6,6a])(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H){1|N<3>,2|H<1>,5|C<3>}	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6a]C[6]H)(S[6]C[6,6a])(H){1|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6]){1|C<4>,2|C<3>,4|H<1>}	96.4522	0.000	1	96.4522	0.000	1	96.4522	0.000	1	96.4522	0.000	1	99.6045	6.753	21	99.8290	8.852	159
286	466	643	6:SP2_SP2_SP3	S[6]	C[6,6]	C[6,6a]	3:4:	4:2:4:1:	3:3:2:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:S[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)	C[6,6](C[6,6]C[6]N[6]H)(S[6]C[6,6a])(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(S[6]C[6,6a])(C[6]C[6]HH)(H){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6]){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	94.7282	0.000	1	94.7282	0.000	1	94.7282	0.000	1	94.7282	0.000	1	99.6045	6.753	21	99.8290	8.852	159
286	466	643	6:SP2_SP2_SP3	S[6]	C[6,6]	C[6,6a]	3:4:	4:2:4:4:	3:3:2:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:S[6]-2:C[6]-4:C[6]-4:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]N[6,6]O[6]H)(S[6]C[6,6a])(C[6]C[6]HH)2	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(S[6]C[6,6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]2){1|N<3>,1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]N[6,6]O[6]H)(S[6]C[6,6a])(C[6]C[6]HH)2{1|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(S[6]C[6,6]){2|C<3>,2|H<1>,3|C<4>}	96.3443	0.261	2	96.3443	0.068	2	96.3443	0.068	2	96.3443	0.068	2	99.6045	6.753	21	99.8290	8.852	159
286	466	643	6:SP2_SP2_SP3	S[6]	C[6,6]	C[6,6a]	3:4:	4:3:2:1:	3:3:2:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6,6]-3:S[6]-2:H-1:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2H)	C[6,6](C[6,6]N[6,6]C[6a]H)(C[6,6]C[6,6]C[6])(S[6]C[6,6a])(H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(S[6]C[6,6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2H){1|N<3>,2|H<1>,5|C<3>}	C[6,6](C[6,6]N[6,6]C[6a]H)(C[6,6]C[6,6]C[6])(S[6]C[6,6a])(H){1|C<4>,7|C<3>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(S[6]C[6,6]){1|C<4>,3|C<3>,3|H<1>}	104.1120	0.000	1	104.1120	0.000	1	104.1120	0.000	1	101.2980	10.223	3	99.6045	6.753	21	99.8290	8.852	159
286	466	643	6:SP2_SP2_SP3	S[6]	C[6,6]	C[6,6a]	3:4:	4:3:2:1:	3:3:2:	C[6,6a]-3:C[6,6]-4:	C[6]-4:C[6,6]-3:S[6]-2:H-1:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]N[6])(S[6]C[6,6a])(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H){1|N<3>,2|H<1>,5|C<3>}	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]N[6])(S[6]C[6,6a])(H){1|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6]){1|C<4>,2|C<3>,4|H<1>}	101.9610	0.000	1	101.9610	0.000	1	99.8911	8.569	2	101.2980	10.223	3	99.6045	6.753	21	99.8290	8.852	159
286	466	643	6:SP2_SP2_SP3	S[6]	C[6,6]	C[6,6a]	3:4:	4:3:2:1:	3:3:2:	C[6,6a]-3:C[6,6]-4:	C[6]-4:C[6,6]-3:S[6]-2:H-1:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)	C[6,6](C[6]C[6,6a]HH)(C[6,6]N[6]2)(S[6]C[6,6a])(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	C[6,6](C[6]C[6,6a]HH)(C[6,6]N[6]2)(S[6]C[6,6a])(H){1|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6]){2|C<3>,2|C<4>,3|H<1>}	97.8211	0.000	1	97.8211	0.000	1	99.8911	8.569	2	101.2980	10.223	3	99.6045	6.753	21	99.8290	8.852	159
286	466	643	6:SP2_SP2_SP3	S[6]	C[6,6]	C[6,6a]	4:3:	3:3:2:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:	C[5a,6]-3:C[6,6]-3:S[6]-2:H-1:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6]C[5a,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6]N[6])(S[6]C[6,6a])(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6])	S[6](C[6,6]C[5a,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a]){1|H<1>,2|N<3>,4|C<3>}	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6]N[6])(S[6]C[6,6a])(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6]){3|C<3>,4|H<1>}	95.0732	0.000	1	95.0732	0.000	1	95.0732	0.000	1	99.7141	9.770	4	99.6045	6.753	21	99.8290	8.852	159
286	466	643	6:SP2_SP2_SP3	S[6]	C[6,6]	C[6,6a]	4:3:	3:3:2:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:N[6,6]-3:S[6]-2:H-1:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(S[6]C[6,6a])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6])	S[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a]){1|H<1>,2|C<4>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(S[6]C[6,6a])(H){1|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6]){1|N<3>,2|C<3>,5|H<1>}	101.2610	0.545	3	101.2610	0.297	3	101.2610	0.297	3	99.7141	9.770	4	99.6045	6.753	21	99.8290	8.852	159
286	466	643	6:SP2_SP2_SP3	S[6]	C[6,6]	C[6,6a]	4:3:	4:3:2:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:	C[5,6]-4:C[6,6]-3:S[6]-2:H-1:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6]C[5,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])	C[6,6](C[5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6]N[6])(S[6]C[6,6a])(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6])	S[6](C[6,6]C[5,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a]){1|H<1>,1|N<3>,6|C<3>}	C[6,6](C[5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6]N[6])(S[6]C[6,6a])(H){1|H<1>,1|N<3>,1|O<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6]){1|C<4>,2|C<3>,4|H<1>}	99.3685	1.019	2	99.3685	1.038	2	99.3685	1.038	2	99.3685	1.038	2	99.6045	6.753	21	99.8290	8.852	159
286	466	643	6:SP2_SP2_SP3	S[6]	C[6,6]	C[6,6a]	4:3:	4:4:2:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:	C[5,6]-4:C[6,6]-4:S[6]-2:H-1:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6]C[5,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])	C[6,6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6,6]N[6]O[6]C)(S[6]C[6,6a])(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6])	S[6](C[6,6]C[5,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,1|O<2>,5|C<3>}	C[6,6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6,6]N[6]O[6]C)(S[6]C[6,6a])(H){1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6]){1|C<3>,2|C<4>,4|H<1>}	100.4914	0.840	6	100.4914	0.706	6	100.4914	0.706	6	100.4914	0.706	6	99.6045	6.753	21	99.8290	8.852	159
286	466	643	6:SP2_SP2_SP3	S[6]	C[6]	C[6,6a]	3:4:	2:3:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:	S[6]-2:C[6]-3:F-1:F-1:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]FF)	C[6](S[6]C[6,6a])(C[6]N[6]O)(F)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]FF){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](S[6]C[6,6a])(C[6]N[6]O)(F)2{1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6]){2|C<3>,2|F<1>,3|H<1>}	98.2254	0.000	1	98.2254	0.000	1	98.2254	0.000	1	96.6398	1.872	25	99.8631	9.214	138	99.8290	8.852	159
286	466	643	6:SP2_SP2_SP3	S[6]	C[6]	C[6,6a]	3:4:	2:3:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:	S[6]-2:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6](S[6]C[6,6a])(C[6]C[6]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|H<1>,4|C<3>}	C[6](S[6]C[6,6a])(C[6]C[6]C)(H)2{1|C<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	97.3328	0.000	1	97.9593	1.044	5	96.5738	1.839	24	96.6398	1.872	25	99.8631	9.214	138	99.8290	8.852	159
286	466	643	6:SP2_SP2_SP3	S[6]	C[6]	C[6,6a]	3:4:	2:3:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:	S[6]-2:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6](S[6]C[6,6a])(C[6]C[6]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|H<1>,4|C<3>}	C[6](S[6]C[6,6a])(C[6]C[6]C)(H)2{1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){2|C<3>,5|H<1>}	99.6957	0.000	1	97.9593	1.044	5	96.5738	1.839	24	96.6398	1.872	25	99.8631	9.214	138	99.8290	8.852	159
286	466	643	6:SP2_SP2_SP3	S[6]	C[6]	C[6,6a]	3:4:	2:3:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:	S[6]-2:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6](S[6]C[6,6a])(C[6]C[6]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|H<1>,4|C<3>}	C[6](S[6]C[6,6a])(C[6]C[6]C)(H)2{1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){1|O<1>,2|C<3>,4|H<1>}	97.5893	0.423	3	97.9593	1.044	5	96.5738	1.839	24	96.6398	1.872	25	99.8631	9.214	138	99.8290	8.852	159
286	466	643	6:SP2_SP2_SP3	S[6]	C[6]	C[6,6a]	3:4:	2:3:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:	S[6]-2:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6](S[6]C[6,6a])(C[6]N[6]C)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|H<1>,1|N<3>,3|C<3>}	C[6](S[6]C[6,6a])(C[6]N[6]C)(H)2{1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6]){2|C<3>,5|H<1>}	96.3034	0.000	1	96.3034	0.000	1	96.5738	1.839	24	96.6398	1.872	25	99.8631	9.214	138	99.8290	8.852	159
286	466	643	6:SP2_SP2_SP3	S[6]	C[6]	C[6,6a]	3:4:	2:3:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:	S[6]-2:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6](S[6]C[6,6a])(C[6]N[6]H)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](S[6]C[6,6a])(C[6]N[6]H)(H)2{1|Cu<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(S[6]C[6]){1|Cu<4>,1|O<2>,2|C<3>,3|H<1>}	98.7202	0.000	1	98.7364	0.001	2	96.5738	1.839	24	96.6398	1.872	25	99.8631	9.214	138	99.8290	8.852	159
286	466	643	6:SP2_SP2_SP3	S[6]	C[6]	C[6,6a]	3:4:	2:3:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:	S[6]-2:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6](S[6]C[6,6a])(C[6]N[6]H)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](S[6]C[6,6a])(C[6]N[6]H)(H)2{1|Ni<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(S[6]C[6]){1|Ni<4>,1|O<2>,2|C<3>,3|H<1>}	98.7526	0.000	1	98.7364	0.001	2	96.5738	1.839	24	96.6398	1.872	25	99.8631	9.214	138	99.8290	8.852	159
286	466	643	6:SP2_SP2_SP3	S[6]	C[6]	C[6,6a]	3:4:	2:3:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:	S[6]-2:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6](S[6]C[6,6a])(C[6]N[6]O)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](S[6]C[6,6a])(C[6]N[6]O)(H)2{1|C<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<2>,1|C<4>,2|C<3>,3|H<1>}	96.0847	1.119	2	95.6307	0.238	14	96.5738	1.839	24	96.6398	1.872	25	99.8631	9.214	138	99.8290	8.852	159
286	466	643	6:SP2_SP2_SP3	S[6]	C[6]	C[6,6a]	3:4:	2:3:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:	S[6]-2:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6](S[6]C[6,6a])(C[6]N[6]O)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](S[6]C[6,6a])(C[6]N[6]O)(H)2{1|C<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	95.5550	0.352	12	95.6307	0.238	14	96.5738	1.839	24	96.6398	1.872	25	99.8631	9.214	138	99.8290	8.852	159
286	466	643	6:SP2_SP2_SP3	S[6]	C[6]	C[6,6a]	3:4:	2:3:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:	S[6]-2:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6](S[6]C[6,6a])(C[6]N[6]O)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]S)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|N<3>,1|O<1>,1|S<2>,2|C<3>}	C[6](S[6]C[6,6a])(C[6]N[6]O)(H)2{1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]S)(S[6]C[6]){1|O<2>,1|S<2>,2|C<3>,3|H<1>}	97.6842	1.040	2	97.6842	1.081	2	96.5738	1.839	24	96.6398	1.872	25	99.8631	9.214	138	99.8290	8.852	159
286	466	643	6:SP2_SP2_SP3	S[6]	C[6]	C[6,6a]	3:4:	2:3:3:1:	3:3:2:	C[6,6a]-3:C[6]-4:	S[6]-2:C[6]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6](S[6]C[6,6a])(C[6]N[6]O)(CC[6a]O)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](S[6]C[6,6a])(C[6]N[6]O)(CC[6a]O)(H){1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6]){3|C<3>,4|H<1>}	98.8678	0.000	1	98.8678	0.000	1	98.8678	0.000	1	98.8678	0.000	1	99.8631	9.214	138	99.8290	8.852	159
286	466	643	6:SP2_SP2_SP3	S[6]	C[6]	C[6,6a]	3:4:	2:3:4:1:	3:3:2:	C[6,6a]-3:C[6]-4:	S[6]-2:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6](S[6]C[6,6a])(C[6]C[6]N)(CCHO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|H<1>,1|N<3>,3|C<3>}	C[6](S[6]C[6,6a])(C[6]C[6]N)(CCHO)(H){1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	101.7070	0.000	1	101.7070	0.000	1	98.9648	5.654	3	98.9648	5.654	3	99.8631	9.214	138	99.8290	8.852	159
286	466	643	6:SP2_SP2_SP3	S[6]	C[6]	C[6,6a]	3:4:	2:3:4:1:	3:3:2:	C[6,6a]-3:C[6]-4:	S[6]-2:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6](S[6]C[6,6a])(C[6]N[6]O)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](S[6]C[6,6a])(C[6]N[6]O)(CCHH)(H){1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	97.4749	0.000	1	97.4749	0.000	1	98.9648	5.654	3	98.9648	5.654	3	99.8631	9.214	138	99.8290	8.852	159
286	466	643	6:SP2_SP2_SP3	S[6]	C[6]	C[6,6a]	3:4:	2:3:4:1:	3:3:2:	C[6,6a]-3:C[6]-4:	S[6]-2:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6](S[6]C[6,6a])(C[6]N[6]O)(CC[6a]HO)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](S[6]C[6,6a])(C[6]N[6]O)(CC[6a]HO)(H){1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	97.7126	0.000	1	97.7126	0.000	1	98.9648	5.654	3	98.9648	5.654	3	99.8631	9.214	138	99.8290	8.852	159
286	466	643	6:SP2_SP2_SP3	S[6]	C[6]	C[6,6a]	3:4:	2:3:4:4:	3:2:2:	C[6,6a]-3:C[6]-4:	S[6]-2:C[6]-3:C-4:C-4:	N[6,6a]-3:N[6a]-2:S[6]-2:	S[6](C[6,6a]N[6,6a]N[6a])(C[6]C[6]CC)	C[6](S[6]C[6,6a])(C[6]C[6]H)(CH3)2	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a])(S[6]C[6])	S[6](C[6,6a]N[6,6a]N[6a])(C[6]C[6]CC){1|H<1>,3|C<3>}	C[6](S[6]C[6,6a])(C[6]C[6]H)(CH3)2{1|C<4>,1|N<2>,1|N<3>}	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a])(S[6]C[6]){1|O<1>,2|C<3>,4|C<4>}	101.4470	0.000	1	101.4470	0.000	1	101.4470	0.000	1	101.4470	0.000	1	99.8631	9.214	138	99.8290	8.852	159
286	466	643	6:SP2_SP2_SP3	S[6]	C[6]	C[6,6a]	3:4:	2:4:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:	S[6]-2:C[6]-4:H-1:H-1:	C[6,6a]-3:C[5,6a]-3:S[6]-2:	S[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH)	C[6](S[6]C[6,6a])(C[6]S[6]HH)(H)2	C[6,6a](C[6,6a]C[6a,6a]S[6])(C[5,6a]C[5,6a]2)(S[6]C[6])	S[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH){1|S<2>,2|H<1>,3|C<3>}	C[6](S[6]C[6,6a])(C[6]S[6]HH)(H)2{2|C<3>}	C[6,6a](C[6,6a]C[6a,6a]S[6])(C[5,6a]C[5,6a]2)(S[6]C[6]){2|C<4>,2|H<1>,4|C<3>}	106.5885	1.179	2	106.5885	1.389	2	106.5885	1.389	2	102.1726	8.765	15	99.8631	9.214	138	99.8290	8.852	159
286	466	643	6:SP2_SP2_SP3	S[6]	C[6]	C[6,6a]	3:4:	2:4:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:	S[6]-2:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6](S[6]C[6,6a])(C[6]C[6]2H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){2|H<1>,4|C<3>}	C[6](S[6]C[6,6a])(C[6]C[6]2H)(H)2{1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	100.9380	0.000	1	100.9380	0.000	1	101.8585	6.136	11	102.1726	8.765	15	99.8631	9.214	138	99.8290	8.852	159
286	466	643	6:SP2_SP2_SP3	S[6]	C[6]	C[6,6a]	3:4:	2:4:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:	S[6]-2:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6](S[6]C[6,6a])(C[6]C[6]CH)(H)2	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	C[6](S[6]C[6,6a])(C[6]C[6]CH)(H)2{3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,3|C<3>,3|H<1>}	104.4085	0.745	2	104.4085	0.554	2	101.8585	6.136	11	102.1726	8.765	15	99.8631	9.214	138	99.8290	8.852	159
286	466	643	6:SP2_SP2_SP3	S[6]	C[6]	C[6,6a]	3:4:	2:4:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:	S[6]-2:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6](S[6]C[6,6a])(C[6]C[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	C[6](S[6]C[6,6a])(C[6]C[6]CH)(H)2{3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	100.8077	3.309	4	100.8077	10.953	4	101.8585	6.136	11	102.1726	8.765	15	99.8631	9.214	138	99.8290	8.852	159
286	466	643	6:SP2_SP2_SP3	S[6]	C[6]	C[6,6a]	3:4:	2:4:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:	S[6]-2:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6](S[6]C[6,6a])(C[6]C[6]HN)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<4>,1|N<4>,2|C<3>,2|H<1>}	C[6](S[6]C[6,6a])(C[6]C[6]HN)(H)2{2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<3>,1|C<4>,6|H<1>}	101.5030	0.081	2	101.5030	0.006	2	101.8585	6.136	11	102.1726	8.765	15	99.8631	9.214	138	99.8290	8.852	159
286	466	643	6:SP2_SP2_SP3	S[6]	C[6]	C[6,6a]	3:4:	2:4:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:	S[6]-2:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6](S[6]C[6,6a])(C[6]N[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<2>,1|H<1>,1|N<3>,3|C<3>}	C[6](S[6]C[6,6a])(C[6]N[6]CH)(H)2{1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(S[6]C[6]){1|C<2>,1|C<3>,1|C<4>,1|F<1>,3|H<1>}	100.0870	0.000	1	100.0870	0.000	1	101.8585	6.136	11	102.1726	8.765	15	99.8631	9.214	138	99.8290	8.852	159
286	466	643	6:SP2_SP2_SP3	S[6]	C[6]	C[6,6a]	3:4:	2:4:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:	S[6]-2:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6](S[6]C[6,6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|N<3>,2|C<3>,3|H<1>}	C[6](S[6]C[6,6a])(C[6]N[6]HH)(H)2{1|S<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	104.3650	0.000	1	104.3650	0.000	1	101.8585	6.136	11	102.1726	8.765	15	99.8631	9.214	138	99.8290	8.852	159
286	466	643	6:SP2_SP2_SP3	S[6]	C[6]	C[6,6a]	3:4:	2:4:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:	S[6]-2:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:S[6]-2:	S[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)	C[6](S[6]C[6,6a])(C[6]S[6]HH)(H)2	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6a]S[6])(S[6]C[6])	S[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH){1|S<2>,2|H<1>,3|C<3>}	C[6](S[6]C[6,6a])(C[6]S[6]HH)(H)2{2|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6a]S[6])(S[6]C[6]){1|C<4>,3|H<1>,4|C<3>}	99.4844	2.329	2	99.4844	5.423	2	99.4844	5.423	2	102.1726	8.765	15	99.8631	9.214	138	99.8290	8.852	159
286	466	643	6:SP2_SP2_SP3	S[6]	C[6]	C[6,6a]	3:4:	2:4:4:1:	3:3:2:	C[6,6a]-3:C[6]-4:	S[6]-2:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6](S[6]C[6,6a])(C[6]C[6]HH)(CH3)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){3|C<3>,3|H<1>}	C[6](S[6]C[6,6a])(C[6]C[6]HH)(CH3)(H){3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){2|C<4>,2|H<1>,3|C<3>}	105.3470	0.000	1	105.3470	0.000	1	100.0788	5.976	8	100.0788	5.976	8	99.8631	9.214	138	99.8290	8.852	159
286	466	643	6:SP2_SP2_SP3	S[6]	C[6]	C[6,6a]	3:4:	2:4:4:1:	3:3:2:	C[6,6a]-3:C[6]-4:	S[6]-2:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6](S[6]C[6,6a])(C[6]C[6]HH)(CH3)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){3|C<3>,3|H<1>}	C[6](S[6]C[6,6a])(C[6]C[6]HH)(CH3)(H){1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	100.4570	0.000	1	100.4570	0.000	1	100.0788	5.976	8	100.0788	5.976	8	99.8631	9.214	138	99.8290	8.852	159
286	466	643	6:SP2_SP2_SP3	S[6]	C[6]	C[6,6a]	3:4:	2:4:4:1:	3:3:2:	C[6,6a]-3:C[6]-4:	S[6]-2:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6](S[6]C[6,6a])(C[6]N[6]CH)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](S[6]C[6,6a])(C[6]N[6]CH)(CCHH)(H){1|S<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	97.8097	1.695	2	97.8097	2.874	2	100.0788	5.976	8	100.0788	5.976	8	99.8631	9.214	138	99.8290	8.852	159
286	466	643	6:SP2_SP2_SP3	S[6]	C[6]	C[6,6a]	3:4:	2:4:4:1:	3:3:2:	C[6,6a]-3:C[6]-4:	S[6]-2:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6](S[6]C[6,6a])(C[6]O[6]HH)(CN[5a]HH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|O<2>,2|C<3>,3|H<1>}	C[6](S[6]C[6,6a])(C[6]O[6]HH)(CN[5a]HH)(H){2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<3>,2|C<4>,3|H<1>}	99.8620	0.456	3	99.8620	0.208	3	100.0788	5.976	8	100.0788	5.976	8	99.8631	9.214	138	99.8290	8.852	159
286	466	643	6:SP2_SP2_SP3	S[6]	C[6]	C[6,6a]	3:4:	2:4:4:1:	3:3:2:	C[6,6a]-3:C[6]-4:	S[6]-2:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6](S[6]C[6,6a])(C[6]O[6]HH)(CN[6a]HH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|O<2>,2|C<3>,3|H<1>}	C[6](S[6]C[6,6a])(C[6]O[6]HH)(CN[6a]HH)(H){2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<3>,2|C<4>,3|H<1>}	99.6209	0.000	1	99.6209	0.000	1	100.0788	5.976	8	100.0788	5.976	8	99.8631	9.214	138	99.8290	8.852	159
286	466	643	6:SP2_SP2_SP3	S[6]	C[6]	C[6,6a]	3:4:	2:4:4:4:	3:3:2:	C[6,6a]-3:C[6]-4:	S[6]-2:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6](S[6]C[6,6a])(C[6]C[6]HH)(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|C<4>,2|C<3>,3|H<1>}	C[6](S[6]C[6,6a])(C[6]C[6]HH)(CH3)2{1|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){2|C<3>,2|H<1>,4|C<4>}	101.7370	1.196	4	101.7370	1.430	4	101.6714	1.094	5	101.9616	1.020	7	99.8631	9.214	138	99.8290	8.852	159
286	466	643	6:SP2_SP2_SP3	S[6]	C[6]	C[6,6a]	3:4:	2:4:4:4:	3:3:2:	C[6,6a]-3:C[6]-4:	S[6]-2:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6](S[6]C[6,6a])(C[6]N[6]CH)(CH3)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|C<2>,1|N<3>,2|C<3>,2|H<1>}	C[6](S[6]C[6,6a])(C[6]N[6]CH)(CH3)2{1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<3>,3|C<4>,3|H<1>}	101.4090	0.000	1	101.4090	0.000	1	101.6714	1.094	5	101.9616	1.020	7	99.8631	9.214	138	99.8290	8.852	159
286	466	643	6:SP2_SP2_SP3	S[6]	C[6]	C[6,6a]	3:4:	2:4:4:4:	3:3:2:	C[6,6a]-3:C[6]-4:	S[6]-2:C[6]-4:C-4:C-4:	C[6a,6a]-3:C[6,6a]-3:S[6]-2:	S[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CC)	C[6](S[6]C[6,6a])(C[6]C[6]HH)(CH3)2	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(S[6]C[6])	S[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CC){1|C<4>,2|H<1>,3|C<3>}	C[6](S[6]C[6,6a])(C[6]C[6]HH)(CH3)2{1|C<4>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(S[6]C[6]){2|H<1>,4|C<3>,4|C<4>}	102.6870	0.516	2	102.6870	0.266	2	102.6870	0.266	2	101.9616	1.020	7	99.8631	9.214	138	99.8290	8.852	159
286	466	643	6:SP2_SP2_SP3	S[6]	C[6]	C[6,6a]	3:4:	3:2:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:	C[5,6]-3:S[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	C[6](C[5,6]C[5,6]C[5])(S[6]C[6,6a])(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){1|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5])(S[6]C[6,6a])(H)2{1|C<4>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	100.1760	0.000	1	100.1760	0.000	1	97.8128	4.375	3	97.9817	4.932	18	99.8631	9.214	138	99.8290	8.852	159
286	466	643	6:SP2_SP2_SP3	S[6]	C[6]	C[6,6a]	3:4:	3:2:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:	C[5,6]-3:S[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	C[6](C[5,6]N[5,6]C[5])(S[6]C[6,6a])(H)2	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){1|H<1>,1|N<3>,3|C<3>}	C[6](C[5,6]N[5,6]C[5])(S[6]C[6,6a])(H)2{2|C<4>,3|C<3>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	96.6311	0.610	2	96.6311	0.372	2	97.8128	4.375	3	97.9817	4.932	18	99.8631	9.214	138	99.8290	8.852	159
286	466	643	6:SP2_SP2_SP3	S[6]	C[6]	C[6,6a]	3:4:	3:2:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:	C[5a,6]-3:S[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)	C[6](C[5a,6]C[5a,6]C[5a])(S[6]C[6,6a])(H)2	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH){1|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(S[6]C[6,6a])(H)2{1|N<2>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(S[6]C[6]){1|N<3>,2|C<3>,4|H<1>}	101.4040	0.236	2	101.4040	0.056	2	99.3092	6.121	7	97.9817	4.932	18	99.8631	9.214	138	99.8290	8.852	159
286	466	643	6:SP2_SP2_SP3	S[6]	C[6]	C[6,6a]	3:4:	3:2:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:	C[5a,6]-3:S[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)	C[6](C[5a,6]C[5a,6]N[5a])(S[6]C[6,6a])(H)2	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH){1|H<1>,1|N<2>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(S[6]C[6,6a])(H)2{1|N<2>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(S[6]C[6]){1|N<3>,2|C<3>,4|H<1>}	102.2290	0.000	1	102.2290	0.000	1	99.3092	6.121	7	97.9817	4.932	18	99.8631	9.214	138	99.8290	8.852	159
286	466	643	6:SP2_SP2_SP3	S[6]	C[6]	C[6,6a]	3:4:	3:2:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:	C[5a,6]-3:S[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)	C[6](C[5a,6]N[5a,6]C[5a])(S[6]C[6,6a])(H)2	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH){1|H<1>,1|N<3>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(S[6]C[6,6a])(H)2{5|C<3>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(S[6]C[6]){3|C<3>,4|H<1>}	95.6320	0.000	1	95.6320	0.000	1	99.3092	6.121	7	97.9817	4.932	18	99.8631	9.214	138	99.8290	8.852	159
286	466	643	6:SP2_SP2_SP3	S[6]	C[6]	C[6,6a]	3:4:	3:2:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:	C[5a,6]-3:S[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)	C[6](C[5a,6]N[5a,6]N[5a])(S[6]C[6,6a])(H)2	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[5a,6]N[5a,6]N[5a])(S[6]C[6,6a])(H)2{1|N<3>,3|C<3>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(S[6]C[6]){3|C<3>,4|H<1>}	98.1650	0.979	3	98.1650	0.959	3	99.3092	6.121	7	97.9817	4.932	18	99.8631	9.214	138	99.8290	8.852	159
286	466	643	6:SP2_SP2_SP3	S[6]	C[6]	C[6,6a]	3:4:	3:2:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:	C[6,6]-3:S[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)	C[6](C[6,6]C[6,6]2)(S[6]C[6,6a])(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH){1|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]2)(S[6]C[6,6a])(H)2{1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(S[6]C[6]){1|O<2>,2|C<3>,4|H<1>}	100.4570	0.000	1	100.4570	0.000	1	97.0112	3.973	5	97.9817	4.932	18	99.8631	9.214	138	99.8290	8.852	159
286	466	643	6:SP2_SP2_SP3	S[6]	C[6]	C[6,6a]	3:4:	3:2:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:	C[6,6]-3:S[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)	C[6](C[6,6]C[6,6]C[6])(S[6]C[6,6a])(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH){1|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(S[6]C[6,6a])(H)2{1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(S[6]C[6]){3|C<3>,4|H<1>}	96.1497	0.591	4	96.1497	0.350	4	97.0112	3.973	5	97.9817	4.932	18	99.8631	9.214	138	99.8290	8.852	159
286	466	643	6:SP2_SP2_SP3	S[6]	C[6]	C[6,6a]	3:4:	3:2:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:S[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6,6a])(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6,6a])(H)2{1|N<3>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(S[6]C[6]){1|O<2>,2|C<3>,4|H<1>}	96.6707	0.315	3	96.6707	0.099	3	96.6707	0.099	3	97.9817	4.932	18	99.8631	9.214	138	99.8290	8.852	159
286	466	643	6:SP2_SP2_SP3	S[6]	C[6]	C[6,6a]	3:4:	3:2:2:1:	3:3:2:	C[6,6a]-3:C[6]-4:	C[6a]-3:S[6]-2:S[6]-2:H-1:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]S[6]H)	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(S[6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]S[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(S[6]C[6])(H){1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){1|S<2>,2|C<3>,5|H<1>}	103.6990	0.000	1	103.6990	0.000	1	103.6990	0.000	1	103.6990	0.000	1	99.8631	9.214	138	99.8290	8.852	159
286	466	643	6:SP2_SP2_SP3	S[6]	C[6]	C[6,6a]	3:4:	3:2:2:3:	3:3:2:	C[6,6a]-3:C[6]-4:	C[6a]-3:S[6]-2:O[6]-2:C-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]C)	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(O[6]C[6])(CCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]C){1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(O[6]C[6])(CCH){1|O<1>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	96.4343	0.000	1	96.4343	0.000	1	96.4343	0.000	1	96.4343	0.000	1	99.8631	9.214	138	99.8290	8.852	159
286	466	643	6:SP2_SP2_SP3	S[6]	C[6]	C[6,6a]	3:4:	3:2:3:1:	3:2:2:	C[6,6a]-3:C[6]-4:	C[6a]-3:S[6]-2:C[6]-3:H-1:	C[6,6a]-3:N[6a]-2:S[6]-2:	S[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]C[6]H)	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(S[6]C[6])	S[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]C[6]H){1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]H)(H){1|N<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(S[6]C[6]){3|H<1>,4|C<3>}	105.7310	0.000	1	105.7310	0.000	1	104.5610	2.738	2	102.4031	7.615	4	99.8631	9.214	138	99.8290	8.852	159
286	466	643	6:SP2_SP2_SP3	S[6]	C[6]	C[6,6a]	3:4:	3:2:3:1:	3:2:2:	C[6,6a]-3:C[6]-4:	C[6a]-3:S[6]-2:C[6]-3:H-1:	C[6,6a]-3:N[6a]-2:S[6]-2:	S[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]C[6]H)	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]N)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(S[6]C[6])	S[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]C[6]H){1|N<3>,5|C<3>}	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]N)(H){1|N<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(S[6]C[6]){3|H<1>,4|C<3>}	103.3910	0.000	1	103.3910	0.000	1	104.5610	2.738	2	102.4031	7.615	4	99.8631	9.214	138	99.8290	8.852	159
286	466	643	6:SP2_SP2_SP3	S[6]	C[6]	C[6,6a]	3:4:	3:2:3:1:	3:2:2:	C[6,6a]-3:C[6]-4:	C[6a]-3:S[6]-2:N[6]-3:H-1:	C[6,6a]-3:S[6a]-2:S[6]-2:	S[6](C[6,6a]C[6,6a]S[6a])(C[6]C[6a]N[6]H)	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(N[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(S[6a]C[6a,6a])(S[6]C[6])	S[6](C[6,6a]C[6,6a]S[6a])(C[6]C[6a]N[6]H){2|C<4>,4|C<3>}	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(N[6]C[6]C)(H){1|S<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(S[6a]C[6a,6a])(S[6]C[6]){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	99.3846	0.000	1	99.3846	0.000	1	100.2453	1.482	2	102.4031	7.615	4	99.8631	9.214	138	99.8290	8.852	159
286	466	643	6:SP2_SP2_SP3	S[6]	C[6]	C[6,6a]	3:4:	3:2:3:1:	3:2:2:	C[6,6a]-3:C[6]-4:	C[6a]-3:S[6]-2:N[6]-3:H-1:	C[6,6a]-3:S[6a]-2:S[6]-2:	S[6](C[6,6a]C[6,6a]S[6a])(C[6]C[6a]N[6]H)	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(N[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(S[6a]C[6a,6a])(S[6]C[6])	S[6](C[6,6a]C[6,6a]S[6a])(C[6]C[6a]N[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(N[6]C[6]H)(H){1|Cl<1>,1|S<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(S[6a]C[6a,6a])(S[6]C[6]){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	101.1060	0.000	1	101.1060	0.000	1	100.2453	1.482	2	102.4031	7.615	4	99.8631	9.214	138	99.8290	8.852	159
286	466	643	6:SP2_SP2_SP3	S[6]	C[6]	C[6,6a]	3:4:	3:2:3:1:	3:3:2:	C[6,6a]-3:C[6]-4:	C[6a]-3:S[6]-2:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|H<1>,6|C<3>}	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]C)(H){3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){3|C<3>,4|H<1>}	101.8000	0.000	1	101.8000	0.000	1	101.9721	1.272	8	101.9721	1.272	8	99.8631	9.214	138	99.8290	8.852	159
286	466	643	6:SP2_SP2_SP3	S[6]	C[6]	C[6,6a]	3:4:	3:2:3:1:	3:3:2:	C[6,6a]-3:C[6]-4:	C[6a]-3:S[6]-2:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]H)(H){3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){3|C<3>,4|H<1>}	101.8715	1.139	4	101.8715	1.297	4	101.9721	1.272	8	101.9721	1.272	8	99.8631	9.214	138	99.8290	8.852	159
286	466	643	6:SP2_SP2_SP3	S[6]	C[6]	C[6,6a]	3:4:	3:2:3:1:	3:3:2:	C[6,6a]-3:C[6]-4:	C[6a]-3:S[6]-2:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]N)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|H<1>,1|N<3>,5|C<3>}	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]N)(H){1|Br<1>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){1|O<2>,3|C<3>,3|H<1>}	100.4720	0.000	1	102.0005	4.673	2	101.9721	1.272	8	101.9721	1.272	8	99.8631	9.214	138	99.8290	8.852	159
286	466	643	6:SP2_SP2_SP3	S[6]	C[6]	C[6,6a]	3:4:	3:2:3:1:	3:3:2:	C[6,6a]-3:C[6]-4:	C[6a]-3:S[6]-2:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]N)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|H<1>,1|N<3>,5|C<3>}	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]N)(H){3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){3|C<3>,4|H<1>}	103.5290	0.000	1	102.0005	4.673	2	101.9721	1.272	8	101.9721	1.272	8	99.8631	9.214	138	99.8290	8.852	159
286	466	643	6:SP2_SP2_SP3	S[6]	C[6]	C[6,6a]	3:4:	3:2:3:1:	3:3:2:	C[6,6a]-3:C[6]-4:	C[6a]-3:S[6]-2:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]N)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|N<3>,1|O<2>,5|C<3>}	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]N)(H){1|Br<1>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(S[6]C[6]){3|C<3>,4|H<1>}	102.4900	0.000	1	102.4900	0.000	1	101.9721	1.272	8	101.9721	1.272	8	99.8631	9.214	138	99.8290	8.852	159
286	466	643	6:SP2_SP2_SP3	S[6]	C[6]	C[6,6a]	3:4:	3:2:4:1:	3:2:2:	C[6,6a]-3:C[6]-4:	C[6a]-3:S[6]-2:C[6]-4:H-1:	C[6,6a]-3:N[6a]-2:S[6]-2:	S[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]C[6]H)	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]HN)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(S[6]C[6])	S[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]C[6]H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]HN)(H){1|N<2>,1|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(S[6]C[6]){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	104.9795	3.084	2	104.9795	9.509	2	104.9795	9.509	2	104.9795	9.509	2	99.8631	9.214	138	99.8290	8.852	159
286	466	643	6:SP2_SP2_SP3	S[6]	C[6]	C[6,6a]	3:4:	3:2:4:1:	3:3:2:	C[6,6a]-3:C[6]-4:	C[6a]-3:S[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]CH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]CH)(H){1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	103.6680	0.246	2	103.6680	0.061	2	103.5532	1.648	6	102.6040	7.679	7	99.8631	9.214	138	99.8290	8.852	159
286	466	643	6:SP2_SP2_SP3	S[6]	C[6]	C[6,6a]	3:4:	3:2:4:1:	3:3:2:	C[6,6a]-3:C[6]-4:	C[6a]-3:S[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]HH)(H){3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,3|C<3>,4|H<1>}	103.9080	0.000	1	103.9080	0.000	1	103.5532	1.648	6	102.6040	7.679	7	99.8631	9.214	138	99.8290	8.852	159
286	466	643	6:SP2_SP2_SP3	S[6]	C[6]	C[6,6a]	3:4:	3:2:4:1:	3:3:2:	C[6,6a]-3:C[6]-4:	C[6a]-3:S[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]HN)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]HN)(H){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){2|C<3>,2|C<4>,4|H<1>}	105.6000	0.000	1	103.3583	3.956	3	103.5532	1.648	6	102.6040	7.679	7	99.8631	9.214	138	99.8290	8.852	159
286	466	643	6:SP2_SP2_SP3	S[6]	C[6]	C[6,6a]	3:4:	3:2:4:1:	3:3:2:	C[6,6a]-3:C[6]-4:	C[6a]-3:S[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]HN)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]HN)(H){1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	102.2375	0.612	2	103.3583	3.956	3	103.5532	1.648	6	102.6040	7.679	7	99.8631	9.214	138	99.8290	8.852	159
286	466	643	6:SP2_SP2_SP3	S[6]	C[6]	C[6,6a]	3:4:	3:2:4:1:	3:3:2:	C[6,6a]-3:C[6]-4:	N[6]-3:S[6]-2:C-4:H-1:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)	C[6](N[6]C[6a]C[6])(S[6]C[6,6a])(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH){1|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(S[6]C[6,6a])(CCHH)(H){1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	96.9093	0.000	1	96.9093	0.000	1	96.9093	0.000	1	102.6040	7.679	7	99.8631	9.214	138	99.8290	8.852	159
286	466	643	6:SP2_SP2_SP3	S[6]	C[6]	C[6,6a]	3:4:	3:2:4:4:	3:3:2:	C[6,6a]-3:C[6]-4:	C[5a]-3:S[6]-2:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]C)	C[6](C[5a]C[5a,6a]C[5a])(S[6]C[6,6a])(C[6]C[6]CH)(CF3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]C){1|C<4>,2|H<1>,5|C<3>}	C[6](C[5a]C[5a,6a]C[5a])(S[6]C[6,6a])(C[6]C[6]CH)(CF3){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	101.7800	0.240	2	101.7800	0.058	2	101.7800	0.058	2	101.7800	0.058	2	99.8631	9.214	138	99.8290	8.852	159
286	466	643	6:SP2_SP2_SP3	S[6]	C[6]	C[6,6a]	3:4:	3:3:2:1:	3:2:2:	C[6,6a]-3:C[6]-4:	N[6]-3:C[6a]-3:S[6]-2:H-1:	C[6,6a]-3:N[6a]-2:S[6]-2:	S[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]N[6]H)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(S[6]C[6,6a])(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(S[6]C[6])	S[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]N[6]H){6|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(S[6]C[6,6a])(H){1|N<2>,1|O<1>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(S[6]C[6]){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	96.4782	0.000	1	96.4782	0.000	1	96.4782	0.000	1	96.4782	0.000	1	99.8631	9.214	138	99.8290	8.852	159
286	466	643	6:SP2_SP2_SP3	S[6]	C[6]	C[6,6a]	3:4:	3:3:2:1:	3:3:2:	C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:S[6]-2:H-1:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(S[6]C[6,6a])(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H){1|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(S[6]C[6,6a])(H){1|O<1>,1|S<2>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(S[6]C[6]){1|S<2>,3|C<3>,3|H<1>}	99.4699	0.043	2	99.4699	0.002	2	99.4699	0.002	2	97.4049	1.911	9	99.8631	9.214	138	99.8290	8.852	159
286	466	643	6:SP2_SP2_SP3	S[6]	C[6]	C[6,6a]	3:4:	3:3:2:1:	3:3:2:	C[6,6a]-3:C[6]-4:	N[6]-3:C[6a]-3:S[6]-2:H-1:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(S[6]C[6,6a])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H){1|H<1>,6|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(S[6]C[6,6a])(H){1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	96.7453	0.000	1	96.8148	0.719	7	96.8148	0.719	7	97.4049	1.911	9	99.8631	9.214	138	99.8290	8.852	159
286	466	643	6:SP2_SP2_SP3	S[6]	C[6]	C[6,6a]	3:4:	3:3:2:1:	3:3:2:	C[6,6a]-3:C[6]-4:	N[6]-3:C[6a]-3:S[6]-2:H-1:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(S[6]C[6,6a])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H){1|H<1>,6|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(S[6]C[6,6a])(H){1|O<1>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	96.8264	0.929	6	96.8148	0.719	7	96.8148	0.719	7	97.4049	1.911	9	99.8631	9.214	138	99.8290	8.852	159
286	466	643	6:SP2_SP2_SP3	S[6]	C[6]	C[6,6a]	3:4:	4:2:1:1:	3:2:2:	C[6,6a]-3:C[6]-4:	C[6]-4:S[6]-2:H-1:H-1:	C[5a,6,6a]-3:N[6a]-2:S[6]-2:	S[6](C[6,6a]C[5a,6,6a]N[6a])(C[6]C[6]HH)	C[6](C[6]C[5a,6]HH)(S[6]C[6,6a])(H)2	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(N[6a]C[6a])(S[6]C[6])	S[6](C[6,6a]C[5a,6,6a]N[6a])(C[6]C[6]HH){2|H<1>,3|C<3>}	C[6](C[6]C[5a,6]HH)(S[6]C[6,6a])(H)2{1|N<2>,2|C<3>}	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(N[6a]C[6a])(S[6]C[6]){1|C<3>,1|C<4>,1|N<2>,2|H<1>,2|N<3>}	99.2868	0.000	1	99.2868	0.000	1	99.2868	0.000	1	99.2868	0.000	1	99.8631	9.214	138	99.8290	8.852	159
286	466	643	6:SP2_SP2_SP3	S[6]	C[6]	C[6,6a]	3:4:	4:2:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:	C[5,6]-4:S[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	C[6](C[5,6]C[5,6]C[5]C)(S[6]C[6,6a])(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){1|H<1>,2|C<4>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(S[6]C[6,6a])(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(S[6]C[6]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	102.7950	0.000	1	102.2590	0.696	3	101.7015	1.457	5	101.5914	6.086	11	99.8631	9.214	138	99.8290	8.852	159
286	466	643	6:SP2_SP2_SP3	S[6]	C[6]	C[6,6a]	3:4:	4:2:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:	C[5,6]-4:S[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	C[6](C[5,6]C[5,6]C[5]C)(S[6]C[6,6a])(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){1|H<1>,2|C<4>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(S[6]C[6,6a])(H)2{1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(S[6]C[6]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	101.9910	0.980	2	102.2590	0.696	3	101.7015	1.457	5	101.5914	6.086	11	99.8631	9.214	138	99.8290	8.852	159
286	466	643	6:SP2_SP2_SP3	S[6]	C[6]	C[6,6a]	3:4:	4:2:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:	C[5,6]-4:S[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	C[6](C[5,6]C[5,6]C[5]H)(S[6]C[6,6a])(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){1|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(S[6]C[6,6a])(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	101.8910	0.000	1	101.8910	0.000	1	101.7015	1.457	5	101.5914	6.086	11	99.8631	9.214	138	99.8290	8.852	159
286	466	643	6:SP2_SP2_SP3	S[6]	C[6]	C[6,6a]	3:4:	4:2:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:	C[5,6]-4:S[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	C[6](C[5,6]C[5]2C[6])(S[6]C[6,6a])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){1|H<1>,2|C<4>,3|C<3>}	C[6](C[5,6]C[5]2C[6])(S[6]C[6,6a])(H)2{1|N<2>,1|O<1>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	99.8394	0.000	1	99.8394	0.000	1	101.7015	1.457	5	101.5914	6.086	11	99.8631	9.214	138	99.8290	8.852	159
286	466	643	6:SP2_SP2_SP3	S[6]	C[6]	C[6,6a]	3:4:	4:2:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:	C[6,6]-4:S[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)	C[6](C[6,6]C[6,6]C[6]H)(S[6]C[6,6a])(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(S[6]C[6,6a])(H)2{1|C<2>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(S[6]C[6]){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	103.9010	0.000	1	104.1575	0.132	2	104.1575	0.132	2	101.5914	6.086	11	99.8631	9.214	138	99.8290	8.852	159
286	466	643	6:SP2_SP2_SP3	S[6]	C[6]	C[6,6a]	3:4:	4:2:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:	C[6,6]-4:S[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)	C[6](C[6,6]C[6,6]C[6]H)(S[6]C[6,6a])(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(S[6]C[6,6a])(H)2{1|H<1>,2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(S[6]C[6]){1|C<3>,3|C<4>,4|H<1>}	104.4140	0.000	1	104.1575	0.132	2	104.1575	0.132	2	101.5914	6.086	11	99.8631	9.214	138	99.8290	8.852	159
286	466	643	6:SP2_SP2_SP3	S[6]	C[6]	C[6,6a]	3:4:	4:2:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:	C[6]-4:S[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6](C[6]C[5]C[6]H)(S[6]C[6,6a])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5]C[6]H)(S[6]C[6,6a])(H)2{6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	95.3730	0.000	1	95.3730	0.000	1	100.1707	11.200	4	101.5914	6.086	11	99.8631	9.214	138	99.8290	8.852	159
286	466	643	6:SP2_SP2_SP3	S[6]	C[6]	C[6,6a]	3:4:	4:2:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:	C[6]-4:S[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6](C[6]C[6,6]HH)(S[6]C[6,6a])(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]HH)(S[6]C[6,6a])(H)2{2|C<3>,2|N<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(S[6]C[6]){1|C<3>,1|C<4>,2|N<3>,4|H<1>}	100.4310	0.000	1	100.4310	0.000	1	100.1707	11.200	4	101.5914	6.086	11	99.8631	9.214	138	99.8290	8.852	159
286	466	643	6:SP2_SP2_SP3	S[6]	C[6]	C[6,6a]	3:4:	4:2:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:	C[6]-4:S[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6](C[6]C[6a]N[6]H)(S[6]C[6,6a])(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6]H)(S[6]C[6,6a])(H)2{5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	102.4395	0.469	2	102.4395	0.220	2	100.1707	11.200	4	101.5914	6.086	11	99.8631	9.214	138	99.8290	8.852	159
286	466	643	6:SP2_SP2_SP3	S[6]	C[6]	C[6,6a]	3:4:	4:2:3:1:	3:3:2:	C[6,6a]-3:C[6]-4:	C[5]-4:S[6]-2:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)	C[6](C[5]C[5,6a]C[5]2)(S[6]C[6,6a])(C[6]N[6]C)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[6](C[5]C[5,6a]C[5]2)(S[6]C[6,6a])(C[6]N[6]C)(H){1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	101.0520	0.000	1	101.0520	0.000	1	100.8999	1.563	6	100.7270	1.690	9	99.8631	9.214	138	99.8290	8.852	159
286	466	643	6:SP2_SP2_SP3	S[6]	C[6]	C[6,6a]	3:4:	4:2:3:1:	3:3:2:	C[6,6a]-3:C[6]-4:	C[5]-4:S[6]-2:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)	C[6](C[5]C[5,6a]C[5a]C[5])(S[6]C[6,6a])(C[6]N[6]C)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H){1|H<1>,1|N<3>,6|C<3>}	C[6](C[5]C[5,6a]C[5a]C[5])(S[6]C[6,6a])(C[6]N[6]C)(H){1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	100.8695	1.395	5	100.8695	1.947	5	100.8999	1.563	6	100.7270	1.690	9	99.8631	9.214	138	99.8290	8.852	159
286	466	643	6:SP2_SP2_SP3	S[6]	C[6]	C[6,6a]	3:4:	4:2:3:1:	3:3:2:	C[6,6a]-3:C[6]-4:	C[6]-4:S[6]-2:C-3:H-1:	C[5a,6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]CH)	C[6](C[6]C[5a,6]CH)(S[6]C[6,6a])(COO)(H)	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]CH){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5a,6]CH)(S[6]C[6,6a])(COO)(H){3|C<3>}	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	101.0080	0.000	1	101.0080	0.000	1	101.0080	0.000	1	100.7270	1.690	9	99.8631	9.214	138	99.8290	8.852	159
286	466	643	6:SP2_SP2_SP3	S[6]	C[6]	C[6,6a]	3:4:	4:2:3:1:	3:3:2:	C[6,6a]-3:C[6]-4:	C[6]-4:S[6]-2:C-3:H-1:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6](C[6]C[6a]N[6]H)(S[6]C[6,6a])(CC[6a]O)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6]H)(S[6]C[6,6a])(CC[6a]O)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	100.0679	2.140	2	100.0679	4.579	2	100.0679	4.579	2	100.7270	1.690	9	99.8631	9.214	138	99.8290	8.852	159
286	466	643	6:SP2_SP2_SP3	S[6]	C[6]	C[6,6a]	3:4:	4:3:2:1:	3:3:2:	C[6,6a]-3:C[6]-4:	C[5,6]-4:C[6a]-3:S[6]-2:H-1:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(S[6]C[6,6a])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H){1|H<1>,2|C<4>,5|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(S[6]C[6,6a])(H){1|O<1>,1|O<2>,2|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	103.1175	0.944	2	103.1175	0.891	2	103.1175	0.891	2	101.2211	11.235	3	99.8631	9.214	138	99.8290	8.852	159
286	466	643	6:SP2_SP2_SP3	S[6]	C[6]	C[6,6a]	3:4:	4:3:2:1:	3:3:2:	C[6,6a]-3:C[6]-4:	C[6,6]-4:C[6a]-3:S[6]-2:H-1:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(S[6]C[6,6a])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(S[6]C[6,6a])(H){1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,3|C<3>,4|H<1>}	97.4282	0.000	1	97.4282	0.000	1	97.4282	0.000	1	101.2211	11.235	3	99.8631	9.214	138	99.8290	8.852	159
286	466	643	6:SP2_SP2_SP3	S[6]	C[6]	C[6,6a]	3:4:	4:3:2:2:	3:3:2:	C[6,6a]-3:C[6]-4:	C[5,6]-4:C[6a]-3:S[6]-2:O-2:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]O)	C[6](C[5,6]N[5,6]C[5]H)(C[6a]C[6a]2)(S[6]C[6,6a])(OH)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[5,6]N[5,6]C[5]H)(C[6a]C[6a]2)(S[6]C[6,6a])(OH){3|H<1>,7|C<3>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	99.8945	0.000	1	99.8945	0.000	1	99.8945	0.000	1	99.8945	0.000	1	99.8631	9.214	138	99.8290	8.852	159
286	466	727	6:SP2_SP2_SP3	S[6]	C[6,6]	C[5a,6]	3:4:	2:4:4:4:	3:3:2:	C[5a,6]-3:C[6,6]-4:	S[6]-2:C[6]-4:C[6]-4:C[6]-4:	C[5a,6]-3:N[5a]-3:S[6]-2:	S[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6]3)	C[6,6](S[6]C[5a,6])(C[6]C[6]HH)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(S[6]C[6,6])	S[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6]3){2|C<4>,4|C<3>,6|H<1>}	C[6,6](S[6]C[5a,6])(C[6]C[6]HH)3{1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(S[6]C[6,6]){1|H<1>,3|C<3>,3|C<4>}	98.3637	0.138	4	98.3637	0.019	4	98.1071	0.178	6	98.1071	0.178	6	98.1071	0.178	6	97.4572	10.397	77
286	466	727	6:SP2_SP2_SP3	S[6]	C[6,6]	C[5a,6]	3:4:	2:4:4:4:	3:3:2:	C[5a,6]-3:C[6,6]-4:	S[6]-2:C[6]-4:C[6]-4:C[6]-4:	C[5a,6]-3:N[5a]-3:S[6]-2:	S[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6]3)	C[6,6](S[6]C[5a,6])(C[6]C[6]HH)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(S[6]C[6,6])	S[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6]3){2|C<4>,3|C<3>,7|H<1>}	C[6,6](S[6]C[5a,6])(C[6]C[6]HH)3{1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(S[6]C[6,6]){1|H<1>,3|C<3>,3|C<4>}	97.5939	0.206	2	97.5939	0.043	2	98.1071	0.178	6	98.1071	0.178	6	98.1071	0.178	6	97.4572	10.397	77
286	466	727	6:SP2_SP2_SP3	S[6]	C[6]	C[5a,6]	3:4:	2:3:1:1:	3:2:2:	C[5a,6]-3:C[6]-4:	S[6]-2:C[6]-3:H-1:H-1:	N[5a,6]-3:N[5a]-2:S[6]-2:	S[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)	C[6](S[6]C[5a,6])(C[6]C[6]Se)(H)2	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(S[6]C[6])	S[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH){1|Se<2>,3|C<3>}	C[6](S[6]C[5a,6])(C[6]C[6]Se)(H)2{1|C<3>,1|N<2>,1|N<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(S[6]C[6]){2|H<1>,4|C<3>}	97.5174	0.238	3	97.5174	0.057	3	97.5174	0.057	3	97.5174	0.057	3	97.4022	11.236	71	97.4572	10.397	77
286	466	727	6:SP2_SP2_SP3	S[6]	C[6]	C[5a,6]	3:4:	2:4:1:1:	3:2:2:	C[5a,6]-3:C[6]-4:	S[6]-2:C[6]-4:H-1:H-1:	C[5a,6]-3:S[5a]-2:S[6]-2:	S[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]HH)	C[6](S[6]C[5a,6])(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(S[5a]C[5a,6a])(S[6]C[6])	S[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>}	C[6](S[6]C[5a,6])(C[6]C[6]HH)(H)2{1|C<3>,1|S<2>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(S[5a]C[5a,6a])(S[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	98.7954	0.000	1	98.7954	0.000	1	100.5103	6.881	3	100.9684	2.679	7	97.4022	11.236	71	97.4572	10.397	77
286	466	727	6:SP2_SP2_SP3	S[6]	C[6]	C[5a,6]	3:4:	2:4:1:1:	3:2:2:	C[5a,6]-3:C[6]-4:	S[6]-2:C[6]-4:H-1:H-1:	C[5a,6]-3:S[5a]-2:S[6]-2:	S[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]HH)	C[6](S[6]C[5a,6])(C[6]S[6]HH)(H)2	C[5a,6](C[5a,6]C[5a,6a]S[6])(S[5a]C[5a,6a])(S[6]C[6])	S[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]HH){1|S<2>,2|C<3>,2|H<1>}	C[6](S[6]C[5a,6])(C[6]S[6]HH)(H)2{1|C<3>,1|S<2>}	C[5a,6](C[5a,6]C[5a,6a]S[6])(S[5a]C[5a,6a])(S[6]C[6]){1|C<4>,2|C<3>,2|H<1>}	101.3677	3.058	2	101.3677	9.351	2	100.5103	6.881	3	100.9684	2.679	7	97.4022	11.236	71	97.4572	10.397	77
286	466	727	6:SP2_SP2_SP3	S[6]	C[6]	C[5a,6]	3:4:	2:4:1:1:	3:2:2:	C[5a,6]-3:C[6]-4:	S[6]-2:C[6]-4:H-1:H-1:	N[5a,6]-3:N[5a]-2:S[6]-2:	S[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)	C[6](S[6]C[5a,6])(C[6]C[6]HO)(H)2	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(S[6]C[6])	S[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](S[6]C[5a,6])(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(S[6]C[6]){1|C<4>,3|C<3>,3|H<1>}	100.8475	0.496	2	101.3120	0.403	4	101.3120	0.403	4	100.9684	2.679	7	97.4022	11.236	71	97.4572	10.397	77
286	466	727	6:SP2_SP2_SP3	S[6]	C[6]	C[5a,6]	3:4:	2:4:1:1:	3:2:2:	C[5a,6]-3:C[6]-4:	S[6]-2:C[6]-4:H-1:H-1:	N[5a,6]-3:N[5a]-2:S[6]-2:	S[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)	C[6](S[6]C[5a,6])(C[6]C[6]HO)(H)2	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(S[6]C[6])	S[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](S[6]C[5a,6])(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(S[6]C[6]){2|C<3>,2|C<4>,3|H<1>}	101.9990	0.000	1	101.3120	0.403	4	101.3120	0.403	4	100.9684	2.679	7	97.4022	11.236	71	97.4572	10.397	77
286	466	727	6:SP2_SP2_SP3	S[6]	C[6]	C[5a,6]	3:4:	2:4:1:1:	3:2:2:	C[5a,6]-3:C[6]-4:	S[6]-2:C[6]-4:H-1:H-1:	N[5a,6]-3:N[5a]-2:S[6]-2:	S[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)	C[6](S[6]C[5a,6])(C[6]C[6]HO)(H)2	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(S[6]C[6])	S[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](S[6]C[5a,6])(C[6]C[6]HO)(H)2{1|N<2>,1|N<3>,2|H<1>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(S[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	101.5540	0.000	1	101.3120	0.403	4	101.3120	0.403	4	100.9684	2.679	7	97.4022	11.236	71	97.4572	10.397	77
286	466	727	6:SP2_SP2_SP3	S[6]	C[6]	C[5a,6]	3:4:	2:4:1:1:	3:3:2:	C[5a,6]-3:C[6]-4:	S[6]-2:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:S[6]-2:	S[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[6](S[6]C[5a,6])(C[6]S[6]HH)(H)2	C[5a,6](C[5a,6]C[5a]S[6])(C[5a]C[5a]S[5a])(S[6]C[6])	S[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){2|C<3>,2|H<1>,2|S<2>}	C[6](S[6]C[5a,6])(C[6]S[6]HH)(H)2{2|C<3>}	C[5a,6](C[5a,6]C[5a]S[6])(C[5a]C[5a]S[5a])(S[6]C[6]){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	101.8140	1.793	2	102.2257	3.998	6	102.1793	3.012	12	101.0879	5.355	18	97.4022	11.236	71	97.4572	10.397	77
286	466	727	6:SP2_SP2_SP3	S[6]	C[6]	C[5a,6]	3:4:	2:4:1:1:	3:3:2:	C[5a,6]-3:C[6]-4:	S[6]-2:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:S[6]-2:	S[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[6](S[6]C[5a,6])(C[6]S[6]HH)(H)2	C[5a,6](C[5a,6]C[5a]S[6])(C[5a]C[5a]S[5a])(S[6]C[6])	S[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){2|C<3>,2|H<1>,2|S<2>}	C[6](S[6]C[5a,6])(C[6]S[6]HH)(H)2{2|C<3>}	C[5a,6](C[5a,6]C[5a]S[6])(C[5a]C[5a]S[5a])(S[6]C[6]){1|C<4>,1|N<2>,1|S<2>,3|H<1>}	103.0090	0.495	2	102.2257	3.998	6	102.1793	3.012	12	101.0879	5.355	18	97.4022	11.236	71	97.4572	10.397	77
286	466	727	6:SP2_SP2_SP3	S[6]	C[6]	C[5a,6]	3:4:	2:4:1:1:	3:3:2:	C[5a,6]-3:C[6]-4:	S[6]-2:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:S[6]-2:	S[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[6](S[6]C[5a,6])(C[6]S[6]HH)(H)2	C[5a,6](C[5a,6]C[5a]S[6])(C[5a]C[5a]S[5a])(S[6]C[6])	S[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){2|C<3>,2|H<1>,2|S<2>}	C[6](S[6]C[5a,6])(C[6]S[6]HH)(H)2{2|C<3>}	C[5a,6](C[5a,6]C[5a]S[6])(C[5a]C[5a]S[5a])(S[6]C[6]){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	101.8540	3.833	2	102.2257	3.998	6	102.1793	3.012	12	101.0879	5.355	18	97.4022	11.236	71	97.4572	10.397	77
286	466	727	6:SP2_SP2_SP3	S[6]	C[6]	C[5a,6]	3:4:	2:4:1:1:	3:3:2:	C[5a,6]-3:C[6]-4:	S[6]-2:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:S[6]-2:	S[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[6](S[6]C[5a,6])(C[6]S[6]HH)(H)2	C[5a,6](C[5a,6]C[5a]S[6])(C[5a]S[5a]Br)(S[6]C[6])	S[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|Br<1>,1|C<3>,2|H<1>,2|S<2>}	C[6](S[6]C[5a,6])(C[6]S[6]HH)(H)2{2|C<3>}	C[5a,6](C[5a,6]C[5a]S[6])(C[5a]S[5a]Br)(S[6]C[6]){1|Br<1>,1|C<4>,2|H<1>}	101.4205	0.999	2	101.4205	0.998	2	102.1793	3.012	12	101.0879	5.355	18	97.4022	11.236	71	97.4572	10.397	77
286	466	727	6:SP2_SP2_SP3	S[6]	C[6]	C[5a,6]	3:4:	2:4:1:1:	3:3:2:	C[5a,6]-3:C[6]-4:	S[6]-2:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:S[6]-2:	S[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[6](S[6]C[5a,6])(C[6]S[6]HH)(H)2	C[5a,6](C[5a,6]C[5a]S[6])(C[5a]S[5a]H)(S[6]C[6])	S[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|C<3>,2|S<2>,3|H<1>}	C[6](S[6]C[5a,6])(C[6]S[6]HH)(H)2{2|C<3>}	C[5a,6](C[5a,6]C[5a]S[6])(C[5a]S[5a]H)(S[6]C[6]){1|C<3>,1|C<4>,2|H<1>}	102.4890	1.880	4	102.4890	3.533	4	102.1793	3.012	12	101.0879	5.355	18	97.4022	11.236	71	97.4572	10.397	77
286	466	727	6:SP2_SP2_SP3	S[6]	C[6]	C[5a,6]	3:4:	2:4:1:1:	3:3:2:	C[5a,6]-3:C[6]-4:	S[6]-2:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:S[6]-2:	S[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)	C[6](S[6]C[5a,6])(C[6]C[6]CC)(H)2	C[5a,6](C[5a,6]S[5a]C[6])(N[5a]C[5a]H)(S[6]C[6])	S[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH){1|H<1>,1|S<2>,2|C<3>,2|C<4>}	C[6](S[6]C[5a,6])(C[6]C[6]CC)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6]S[5a]C[6])(N[5a]C[5a]H)(S[6]C[6]){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	97.5168	0.000	1	97.5168	0.000	1	97.1763	0.232	2	101.0879	5.355	18	97.4022	11.236	71	97.4572	10.397	77
286	466	727	6:SP2_SP2_SP3	S[6]	C[6]	C[5a,6]	3:4:	2:4:1:1:	3:3:2:	C[5a,6]-3:C[6]-4:	S[6]-2:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:S[6]-2:	S[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)	C[6](S[6]C[5a,6])(C[6]C[6]HN)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(S[6]C[6])	S[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](S[6]C[5a,6])(C[6]C[6]HN)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(S[6]C[6]){1|C<4>,3|C<3>,3|H<1>}	96.8358	0.000	1	96.8358	0.000	1	97.1763	0.232	2	101.0879	5.355	18	97.4022	11.236	71	97.4572	10.397	77
286	466	727	6:SP2_SP2_SP3	S[6]	C[6]	C[5a,6]	3:4:	2:4:1:1:	3:3:2:	C[5a,6]-3:C[6]-4:	S[6]-2:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:S[6]-2:	S[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)	C[6](S[6]C[5a,6])(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(S[6]C[6])	S[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[6](S[6]C[5a,6])(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(S[6]C[6]){1|C<4>,2|C<3>,5|H<1>}	99.3391	0.000	1	99.3391	0.000	1	100.3330	1.004	3	101.0879	5.355	18	97.4022	11.236	71	97.4572	10.397	77
286	466	727	6:SP2_SP2_SP3	S[6]	C[6]	C[5a,6]	3:4:	2:4:1:1:	3:3:2:	C[5a,6]-3:C[6]-4:	S[6]-2:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:S[6]-2:	S[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)	C[6](S[6]C[5a,6])(C[6]S[6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]S[6])(S[6]C[6])	S[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH){2|C<3>,2|H<1>,2|S<2>}	C[6](S[6]C[5a,6])(C[6]S[6]HH)(H)2{2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]S[6])(S[6]C[6]){1|C<4>,2|C<3>,3|H<1>}	100.8300	0.725	2	100.8300	0.526	2	100.3330	1.004	3	101.0879	5.355	18	97.4022	11.236	71	97.4572	10.397	77
286	466	727	6:SP2_SP2_SP3	S[6]	C[6]	C[5a,6]	3:4:	2:4:1:1:	3:3:2:	C[5a,6]-3:C[6]-4:	S[6]-2:C[6]-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:S[6]-2:	S[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)	C[6](S[6]C[5a,6])(C[6]C[6]HH)(H)2	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[6a]N[5a])(S[6]C[6])	S[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH){1|N<2>,2|H<1>,3|C<3>}	C[6](S[6]C[5a,6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>}	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[6a]N[5a])(S[6]C[6]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	98.0802	0.000	1	98.0802	0.000	1	98.0802	0.000	1	101.0879	5.355	18	97.4022	11.236	71	97.4572	10.397	77
286	466	727	6:SP2_SP2_SP3	S[6]	C[6]	C[5a,6]	3:4:	2:4:2:1:	3:3:2:	C[5a,6]-3:C[6]-4:	S[6]-2:C[6]-4:O-2:H-1:	C[5a,6]-3:N[5a]-3:S[6]-2:	S[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HO)	C[6](S[6]C[5a,6])(C[6]C[6]HH)(OH)(H)	C[5a,6](C[5a,6]S[5a]C[6])(N[5a]C[5a]H)(S[6]C[6])	S[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HO){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	C[6](S[6]C[5a,6])(C[6]C[6]HH)(OH)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6]S[5a]C[6])(N[5a]C[5a]H)(S[6]C[6]){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	96.8203	0.664	2	96.8203	0.441	2	96.8203	0.441	2	96.8203	0.441	2	97.4022	11.236	71	97.4572	10.397	77
286	466	727	6:SP2_SP2_SP3	S[6]	C[6]	C[5a,6]	3:4:	2:4:3:1:	3:3:2:	C[5a,6]-3:C[6]-4:	S[6]-2:C[6]-4:C-3:H-1:	N[5a,6]-3:C[5a]-3:S[6]-2:	S[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]CH)	C[6](S[6]C[5a,6])(C[6]N[6]CC)(CC[6a]O)(H)	C[5a,6](N[5a,6]N[5a]N[6])(C[5a]N[5a]C)(S[6]C[6])	S[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]CH){1|C<3>,1|N<3>,2|C<4>,2|N<2>}	C[6](S[6]C[5a,6])(C[6]N[6]CC)(CC[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[5a,6](N[5a,6]N[5a]N[6])(C[5a]N[5a]C)(S[6]C[6]){1|C<3>,1|C<4>,2|H<1>}	99.4421	0.000	1	99.4421	0.000	1	99.4421	0.000	1	99.4421	0.000	1	97.4022	11.236	71	97.4572	10.397	77
286	466	727	6:SP2_SP2_SP3	S[6]	C[6]	C[5a,6]	3:4:	3:2:1:1:	3:2:2:	C[5a,6]-3:C[6]-4:	C[6]-3:S[6]-2:H-1:H-1:	N[5a,6]-3:N[5a]-2:S[6]-2:	S[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)	C[6](C[6]C[5a]N[6])(S[6]C[5a,6])(H)2	C[5a,6](N[5a,6]C[5a]N[6])(N[5a]N[5a])(S[6]C[6])	S[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH){2|C<3>,2|N<2>}	C[6](C[6]C[5a]N[6])(S[6]C[5a,6])(H)2{1|C<3>,1|N<2>,2|N<3>}	C[5a,6](N[5a,6]C[5a]N[6])(N[5a]N[5a])(S[6]C[6]){1|C<3>,1|C<4>,2|H<1>}	93.7741	1.137	4	93.7741	1.294	4	94.1782	0.520	30	94.1782	0.520	30	97.4022	11.236	71	97.4572	10.397	77
286	466	727	6:SP2_SP2_SP3	S[6]	C[6]	C[5a,6]	3:4:	3:2:1:1:	3:2:2:	C[5a,6]-3:C[6]-4:	C[6]-3:S[6]-2:H-1:H-1:	N[5a,6]-3:N[5a]-2:S[6]-2:	S[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)	C[6](C[6]C[6a]N[6])(S[6]C[5a,6])(H)2	C[5a,6](N[5a,6]C[5a]N[6])(N[5a]N[5a])(S[6]C[6])	S[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH){2|C<3>,2|N<2>}	C[6](C[6]C[6a]N[6])(S[6]C[5a,6])(H)2{1|N<2>,1|N<3>,2|C<3>}	C[5a,6](N[5a,6]C[5a]N[6])(N[5a]N[5a])(S[6]C[6]){1|C<3>,1|C<4>,2|H<1>}	94.1148	0.618	14	94.2403	0.418	26	94.1782	0.520	30	94.1782	0.520	30	97.4022	11.236	71	97.4572	10.397	77
286	466	727	6:SP2_SP2_SP3	S[6]	C[6]	C[5a,6]	3:4:	3:2:1:1:	3:2:2:	C[5a,6]-3:C[6]-4:	C[6]-3:S[6]-2:H-1:H-1:	N[5a,6]-3:N[5a]-2:S[6]-2:	S[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)	C[6](C[6]C[6a]N[6])(S[6]C[5a,6])(H)2	C[5a,6](N[5a,6]C[5a]N[6])(N[5a]N[5a])(S[6]C[6])	S[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH){2|C<3>,2|N<2>}	C[6](C[6]C[6a]N[6])(S[6]C[5a,6])(H)2{1|N<2>,1|N<3>,2|C<3>}	C[5a,6](N[5a,6]C[5a]N[6])(N[5a]N[5a])(S[6]C[6]){2|C<3>,2|H<1>}	94.3868	0.675	12	94.2403	0.418	26	94.1782	0.520	30	94.1782	0.520	30	97.4022	11.236	71	97.4572	10.397	77
286	466	727	6:SP2_SP2_SP3	S[6]	C[6]	C[5a,6]	3:4:	3:2:2:2:	3:3:2:	C[5a,6]-3:C[6]-4:	C[6a]-3:S[6]-2:S[6]-2:O-2:	C[5a,5a]-3:C[5a,6]-3:S[6]-2:	S[6](C[5a,6]C[5a,5a]C[5a,6])(C[6]C[6a]S[6]O)	C[6](C[6a]C[6a]2)(S[6]C[5a,6])(S[6]C[6])(OC)	C[5a,6](C[5a,5a]C[5a,5a]S[5a])(C[5a,6]N[5a]C[6])(S[6]C[6])	S[6](C[5a,6]C[5a,5a]C[5a,6])(C[6]C[6a]S[6]O){1|N<3>,1|S<2>,4|C<3>}	C[6](C[6a]C[6a]2)(S[6]C[5a,6])(S[6]C[6])(OC){1|S<1>,2|H<1>,4|C<3>}	C[5a,6](C[5a,5a]C[5a,5a]S[5a])(C[5a,6]N[5a]C[6])(S[6]C[6]){1|C<4>,1|O<2>,1|S<1>,2|C<3>,2|S<2>}	98.0992	0.134	2	98.0992	0.018	2	98.0992	0.018	2	98.0992	0.018	2	97.4022	11.236	71	97.4572	10.397	77
286	466	727	6:SP2_SP2_SP3	S[6]	C[6]	C[5a,6]	3:4:	3:2:3:1:	3:3:2:	C[5a,6]-3:C[6]-4:	C[6a]-3:S[6]-2:C[6]-3:H-1:	C[5a,6]-3:N[5a]-3:S[6]-2:	S[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]H)	C[6](C[6a]C[6a]2)(S[6]C[5a,6])(C[6]C[6]C)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(S[6]C[6])	S[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]H){1|C<4>,6|C<3>}	C[6](C[6a]C[6a]2)(S[6]C[5a,6])(C[6]C[6]C)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(S[6]C[6]){1|C<4>,1|H<1>,4|C<3>}	96.6983	0.000	1	96.6983	0.000	1	96.6983	0.000	1	96.6983	0.000	1	97.4022	11.236	71	97.4572	10.397	77
286	466	727	6:SP2_SP2_SP3	S[6]	C[6]	C[5a,6]	3:4:	4:2:1:1:	3:3:2:	C[5a,6]-3:C[6]-4:	C[6,6]-4:S[6]-2:H-1:H-1:	C[5a,6]-3:N[5a]-3:S[6]-2:	S[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)	C[6](C[6,6]C[6,6]C[6]H)(S[6]C[5a,6])(H)2	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(S[6]C[6])	S[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(S[6]C[5a,6])(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(S[6]C[6]){2|C<4>,3|C<3>,3|H<1>}	98.3622	0.000	1	98.3622	0.000	1	98.3622	0.000	1	96.8684	4.463	2	97.4022	11.236	71	97.4572	10.397	77
286	466	727	6:SP2_SP2_SP3	S[6]	C[6]	C[5a,6]	3:4:	4:2:1:1:	3:3:2:	C[5a,6]-3:C[6]-4:	C[6]-4:S[6]-2:H-1:H-1:	C[5a,6]-3:N[5a]-3:S[6]-2:	S[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)	C[6](C[6]C[5,6]HH)(S[6]C[5a,6])(H)2	C[5a,6](C[5a,6]C[5a,6a]C[5,6])(N[5a]C[5a,6a]C)(S[6]C[6])	S[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(S[6]C[5a,6])(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>}	C[5a,6](C[5a,6]C[5a,6a]C[5,6])(N[5a]C[5a,6a]C)(S[6]C[6]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	95.3746	0.000	1	95.3746	0.000	1	95.3746	0.000	1	96.8684	4.463	2	97.4022	11.236	71	97.4572	10.397	77
286	466	727	6:SP2_SP2_SP3	S[6]	C[6]	C[5a,6]	3:4:	4:2:3:1:	3:3:2:	C[5a,6]-3:C[6]-4:	C[5,6]-4:S[6]-2:C-3:H-1:	N[5a,6]-3:C[5a]-3:S[6]-2:	S[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]CH)	C[6](C[5,6]C[5]2N[6])(S[6]C[5a,6])(CC[6a]O)(H)	C[5a,6](N[5a,6]N[5a]N[6])(C[5a]N[5a]C)(S[6]C[6])	S[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]CH){1|C<3>,1|N<3>,2|C<4>,2|N<2>}	C[6](C[5,6]C[5]2N[6])(S[6]C[5a,6])(CC[6a]O)(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[5a,6](N[5a,6]N[5a]N[6])(C[5a]N[5a]C)(S[6]C[6]){1|C<3>,1|C<4>,2|H<1>}	99.0927	0.000	1	99.0927	0.000	1	99.0927	0.000	1	98.3147	0.933	4	97.4022	11.236	71	97.4572	10.397	77
286	466	727	6:SP2_SP2_SP3	S[6]	C[6]	C[5a,6]	3:4:	4:2:3:1:	3:3:2:	C[5a,6]-3:C[6]-4:	C[6,6]-4:S[6]-2:C-3:H-1:	N[5a,6]-3:C[5a]-3:S[6]-2:	S[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6,6]CH)	C[6](C[6,6]C[6]2N[6])(S[6]C[5a,6])(CC[6a]O)(H)	C[5a,6](N[5a,6]N[5a]N[6])(C[5a]N[5a]C)(S[6]C[6])	S[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6,6]CH){1|C<3>,1|N<3>,2|C<4>,2|N<2>}	C[6](C[6,6]C[6]2N[6])(S[6]C[5a,6])(CC[6a]O)(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[5a,6](N[5a,6]N[5a]N[6])(C[5a]N[5a]C)(S[6]C[6]){1|C<3>,1|C<4>,2|H<1>}	98.6037	0.434	2	98.6037	0.189	2	98.6037	0.189	2	98.3147	0.933	4	97.4022	11.236	71	97.4572	10.397	77
286	466	727	6:SP2_SP2_SP3	S[6]	C[6]	C[5a,6]	3:4:	4:2:3:1:	3:3:2:	C[5a,6]-3:C[6]-4:	C[6]-4:S[6]-2:C-3:H-1:	N[5a,6]-3:C[5a]-3:S[6]-2:	S[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]CH)	C[6](C[6]C[6a]N[6]C)(S[6]C[5a,6])(CC[6a]O)(H)	C[5a,6](N[5a,6]N[5a]N[6])(C[5a]N[5a]C)(S[6]C[6])	S[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]CH){1|C<4>,1|N<3>,2|C<3>,2|N<2>}	C[6](C[6]C[6a]N[6]C)(S[6]C[5a,6])(CC[6a]O)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6](N[5a,6]N[5a]N[6])(C[5a]N[5a]C)(S[6]C[6]){1|C<3>,1|C<4>,2|H<1>}	96.9584	0.000	1	96.9584	0.000	1	96.9584	0.000	1	98.3147	0.933	4	97.4022	11.236	71	97.4572	10.397	77
286	466	727	6:SP2_SP2_SP3	S[6]	C[6]	C[5a,6]	3:4:	4:3:2:1:	3:3:2:	C[5a,6]-3:C[6]-4:	C[5,6]-4:C[6a]-3:S[6]-2:H-1:	C[5a,6]-3:N[5a]-3:S[6]-2:	S[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]C[6a]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(S[6]C[5a,6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(S[6]C[6])	S[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]C[6a]H){2|C<4>,6|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(S[6]C[5a,6])(H){1|S<1>,2|N<3>,3|H<1>,6|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(S[6]C[6]){1|C<4>,2|H<1>,4|C<3>}	98.3241	0.000	1	98.3241	0.000	1	98.3241	0.000	1	98.3241	0.000	1	97.4022	11.236	71	97.4572	10.397	77
286	466	762	6:SP2_SP2_SP3	S[6]	C[6,6]	C[6]	4:3:	3:4:4:2:	2:2:3:	C[6,6]-4:C[6]-3:	C[6,6a]-3:C[6]-4:C[6]-4:S[6]-2:	S[6]-2:N[6]-2:N-3:	S[6](C[6,6]C[6,6a]C[6]2)(C[6]N[6]N)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]HH)(S[6]C[6])	C[6](S[6]C[6,6])(N[6]C[6])(NC[6a]S)	S[6](C[6,6]C[6,6a]C[6]2)(C[6]N[6]N){2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]HH)(S[6]C[6]){1|C<4>,1|N<2>,1|N<3>,2|C<3>,5|H<1>}	C[6](S[6]C[6,6])(N[6]C[6])(NC[6a]S){1|C<3>,2|C<4>,2|H<1>}	100.9980	0.000	1	100.9980	0.000	1	100.9980	0.000	1	100.9980	0.000	1	102.6470	7.063	11	102.0448	11.241	236
286	466	762	6:SP2_SP2_SP3	S[6]	C[6,6]	C[6]	4:3:	4:4:2:1:	2:3:2:	C[6,6]-4:C[6]-3:	C[6,6]-4:C[6]-4:S[6]-2:H-1:	S[6]-2:C[6]-3:S-2:	S[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]S)	C[6,6](C[6,6]C[6]S[6]H)(C[6]C[6]HH)(S[6]C[6])(H)	C[6](S[6]C[6,6])(C[6]S[6]S)(SNi)	S[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]S){2|C<4>,2|S<2>,3|H<1>}	C[6,6](C[6,6]C[6]S[6]H)(C[6]C[6]HH)(S[6]C[6])(H){1|C<3>,1|C<4>,1|S<2>,4|H<1>}	C[6](S[6]C[6,6])(C[6]S[6]S)(SNi){1|H<1>,2|C<4>}	104.4045	2.840	2	104.4045	8.068	2	104.4045	8.068	2	104.4045	8.068	2	102.6470	7.063	11	102.0448	11.241	236
286	466	762	6:SP2_SP2_SP3	S[6]	C[6,6]	C[6]	4:3:	4:4:4:2:	2:2:3:	C[6,6]-4:C[6]-3:	C[6]-4:C[6]-4:C[6]-4:S[6]-2:	S[6]-2:N[6]-2:N-3:	S[6](C[6,6]C[6]3)(C[6]N[6]N)	C[6,6](C[6]C[6]HH)3(S[6]C[6])	C[6](S[6]C[6,6])(N[6]C[6])(NC[6a]H)	S[6](C[6,6]C[6]3)(C[6]N[6]N){3|C<4>,6|H<1>}	C[6,6](C[6]C[6]HH)3(S[6]C[6]){1|C<4>,1|N<2>,1|N<3>,6|H<1>}	C[6](S[6]C[6,6])(N[6]C[6])(NC[6a]H){2|H<1>,3|C<4>}	100.1097	0.241	4	100.1097	0.058	4	100.1097	0.058	4	100.1097	0.058	4	102.6470	7.063	11	102.0448	11.241	236
286	466	762	6:SP2_SP2_SP3	S[6]	C[6,6]	C[6]	4:3:	4:4:4:2:	2:3:2:	C[6,6]-4:C[6]-3:	C[6]-4:C[6]-4:C[6]-4:S[6]-2:	S[6]-2:N[6]-3:N-2:	S[6](C[6,6]C[6]3)(C[6]N[6]N)	C[6,6](C[6]C[6]HH)3(S[6]C[6])	C[6](S[6]C[6,6])(N[6]C[6]H)(NC)	S[6](C[6,6]C[6]3)(C[6]N[6]N){3|C<4>,7|H<1>}	C[6,6](C[6]C[6]HH)3(S[6]C[6]){1|C<4>,1|N<2>,1|N<3>,6|H<1>}	C[6](S[6]C[6,6])(N[6]C[6]H)(NC){2|H<1>,3|C<4>}	105.5750	0.000	1	105.5750	0.000	1	104.7177	3.530	4	104.7177	3.530	4	102.6470	7.063	11	102.0448	11.241	236
286	466	762	6:SP2_SP2_SP3	S[6]	C[6,6]	C[6]	4:3:	4:4:4:2:	2:3:2:	C[6,6]-4:C[6]-3:	C[6]-4:C[6]-4:C[6]-4:S[6]-2:	S[6]-2:N[6]-3:N-2:	S[6](C[6,6]C[6]3)(C[6]N[6]N)	C[6,6](C[6]C[6]HH)3(S[6]C[6])	C[6](S[6]C[6,6])(N[6]C[6]H)(NC[6a])	S[6](C[6,6]C[6]3)(C[6]N[6]N){3|C<4>,7|H<1>}	C[6,6](C[6]C[6]HH)3(S[6]C[6]){1|C<4>,1|N<2>,1|N<3>,6|H<1>}	C[6](S[6]C[6,6])(N[6]C[6]H)(NC[6a]){2|H<1>,3|C<4>}	104.4320	2.192	3	104.4320	4.805	3	104.7177	3.530	4	104.7177	3.530	4	102.6470	7.063	11	102.0448	11.241	236
286	466	762	6:SP2_SP2_SP3	S[6]	C[6]	C[6,6]	3:4:	3:4:2:1:	4:3:2:	C[6,6]-3:C[6]-4:	C[6a]-3:C[6]-4:S[6]-2:H-1:	C[6,6]-4:C[6]-3:S[6]-2:	S[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(S[6]C[6,6])(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(S[6]C[6])	S[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(S[6]C[6,6])(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(S[6]C[6]){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	98.7783	0.000	1	98.7783	0.000	1	98.7783	0.000	1	98.7783	0.000	1	100.3761	4.144	4	102.0448	11.241	236
286	466	762	6:SP2_SP2_SP3	S[6]	C[6]	C[6,6]	3:4:	4:2:1:1:	3:3:2:	C[6,6]-3:C[6]-4:	C[6]-4:S[6]-2:H-1:H-1:	C[6,6]-3:C[6]-3:S[6]-2:	S[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)	C[6](C[6]S[6]HH)(S[6]C[6,6])(H)2	C[6,6](C[6,6]C[6]S[6])(C[6]C[6,6]O)(S[6]C[6])	S[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[6](C[6]S[6]HH)(S[6]C[6,6])(H)2{2|C<3>}	C[6,6](C[6,6]C[6]S[6])(C[6]C[6,6]O)(S[6]C[6]){1|C<3>,1|C<4>,1|O<1>,1|S<2>,2|H<1>}	101.9945	1.398	2	101.9945	1.954	2	101.9945	1.954	2	100.9087	4.514	3	100.3761	4.144	4	102.0448	11.241	236
286	466	762	6:SP2_SP2_SP3	S[6]	C[6]	C[6,6]	3:4:	4:2:1:1:	3:3:2:	C[6,6]-3:C[6]-4:	C[6]-4:S[6]-2:H-1:H-1:	N[6,6]-3:C[6]-3:S[6]-2:	S[6](C[6,6]N[6,6]C[6])(C[6]C[6]HH)	C[6](C[6]C[6]HH)(S[6]C[6,6])(H)2	C[6,6](N[6,6]C[6]2)(C[6]C[6]N)(S[6]C[6])	S[6](C[6,6]N[6,6]C[6])(C[6]C[6]HH){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(S[6]C[6,6])(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6,6](N[6,6]C[6]2)(C[6]C[6]N)(S[6]C[6]){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	98.7371	0.000	1	98.7371	0.000	1	98.7371	0.000	1	100.9087	4.514	3	100.3761	4.144	4	102.0448	11.241	236
286	466	762	6:SP2_SP2_SP3	S[6]	C[6]	C[6]	3:4:	3:2:4:4:	3:3:2:	C[6]-3:C[6]-4:	N[4,6]-3:S[6]-2:C-4:C-4:	C[6]-3:C[6a]-3:S[6]-2:	S[6](C[6]C[6a]C[6])(C[6]N[4,6]CC)	C[6](N[4,6]C[4,6]C[4])(S[6]C[6])(CH3)2	C[6](C[6]C[4,6]C[6a])(C[6a]C[6a]2)(S[6]C[6])	S[6](C[6]C[6a]C[6])(C[6]N[4,6]CC){1|C<4>,4|C<3>}	C[6](N[4,6]C[4,6]C[4])(S[6]C[6])(CH3)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6]C[4,6]C[6a])(C[6a]C[6a]2)(S[6]C[6]){1|N<3>,3|C<4>,3|H<1>,4|C<3>}	100.9470	0.000	1	100.9470	0.000	1	100.9470	0.000	1	100.9470	0.000	1	102.0451	11.561	221	102.0448	11.241	236
286	466	762	6:SP2_SP2_SP3	S[6]	C[6]	C[6]	3:4:	4:2:1:1:	3:2:2:	C[6]-3:C[6]-4:	C[6]-4:S[6]-2:H-1:H-1:	C[5]-3:S[6]-2:S[6]-2:	S[6](C[6]C[5]S[6])(C[6]C[6]HH)	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	C[6](C[5]S[5]2)(S[6]C[6])2	S[6](C[6]C[5]S[6])(C[6]C[6]HH){1|C<4>,2|H<1>,2|S<2>}	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|C<3>,1|S<2>,2|H<1>}	C[6](C[5]S[5]2)(S[6]C[6])2{1|C<4>,2|C<3>,4|H<1>}	102.6185	2.841	24	102.6185	8.069	24	102.6185	8.069	24	102.1412	5.733	48	102.0451	11.561	221	102.0448	11.241	236
286	466	762	6:SP2_SP2_SP3	S[6]	C[6]	C[6]	3:4:	4:2:1:1:	3:2:2:	C[6]-3:C[6]-4:	C[6]-4:S[6]-2:H-1:H-1:	C[5a]-3:S[6]-2:S[6]-2:	S[6](C[6]C[5a]S[6])(C[6]C[6]HH)	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	C[6](C[5a]S[5a]2)(S[6]C[6])2	S[6](C[6]C[5a]S[6])(C[6]C[6]HH){1|C<2>,2|H<1>,2|S<2>}	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|C<3>,1|S<2>}	C[6](C[5a]S[5a]2)(S[6]C[6])2{1|C<4>,2|C<3>,2|H<1>}	101.5150	0.000	1	101.6958	3.290	23	101.6958	3.290	23	102.1412	5.733	48	102.0451	11.561	221	102.0448	11.241	236
286	466	762	6:SP2_SP2_SP3	S[6]	C[6]	C[6]	3:4:	4:2:1:1:	3:2:2:	C[6]-3:C[6]-4:	C[6]-4:S[6]-2:H-1:H-1:	C[5a]-3:S[6]-2:S[6]-2:	S[6](C[6]C[5a]S[6])(C[6]C[6]HH)	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	C[6](C[5a]S[5a]2)(S[6]C[6])2	S[6](C[6]C[5a]S[6])(C[6]C[6]HH){1|C<4>,2|H<1>,2|S<2>}	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|C<3>,1|S<2>,2|H<1>}	C[6](C[5a]S[5a]2)(S[6]C[6])2{1|C<4>,2|C<3>,4|H<1>}	101.7040	1.856	22	101.6958	3.290	23	101.6958	3.290	23	102.1412	5.733	48	102.0451	11.561	221	102.0448	11.241	236
286	466	762	6:SP2_SP2_SP3	S[6]	C[6]	C[6]	3:4:	4:2:1:1:	3:2:2:	C[6]-3:C[6]-4:	C[6]-4:S[6]-2:H-1:H-1:	C[6a]-3:N[6]-2:S[6]-2:	S[6](C[6]C[6a]N[6])(C[6]C[6]HH)	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	C[6](C[6a]C[6a]2)(N[6]C[6])(S[6]C[6])	S[6](C[6]C[6a]N[6])(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|C<3>,1|C<4>,1|N<2>,1|O<2>}	C[6](C[6a]C[6a]2)(N[6]C[6])(S[6]C[6]){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	100.9280	0.000	1	100.9280	0.000	1	100.9280	0.000	1	102.1412	5.733	48	102.0451	11.561	221	102.0448	11.241	236
286	466	762	6:SP2_SP2_SP3	S[6]	C[6]	C[6]	3:4:	4:2:1:1:	3:3:2:	C[6]-3:C[6]-4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-3:C[6a]-3:S[6]-2:	S[6](C[6]C[6a]C[6])(C[6]C[6]HH)	C[6](C[6]O[6]HH)(S[6]C[6])(H)2	C[6](C[6]C[6a]O[6])(C[6a]C[6a]2)(S[6]C[6])	S[6](C[6]C[6a]C[6])(C[6]C[6]HH){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]O[6]HH)(S[6]C[6])(H)2{2|C<3>}	C[6](C[6]C[6a]O[6])(C[6a]C[6a]2)(S[6]C[6]){1|C<4>,4|C<3>,4|H<1>}	99.6231	0.466	3	99.6231	0.217	3	99.6231	0.217	3	100.3978	1.311	5	102.0451	11.561	221	102.0448	11.241	236
286	466	762	6:SP2_SP2_SP3	S[6]	C[6]	C[6]	3:4:	4:2:1:1:	3:3:2:	C[6]-3:C[6]-4:	C[6]-4:S[6]-2:H-1:H-1:	C[6a]-3:C[6]-3:S[6]-2:	S[6](C[6]C[6a]C[6])(C[6]C[6]HH)	C[6](C[6]C[6]CC)(S[6]C[6])(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]H)(S[6]C[6])	S[6](C[6]C[6a]C[6])(C[6]C[6]HH){1|H<1>,2|C<3>,3|C<4>}	C[6](C[6]C[6]CC)(S[6]C[6])(H)2{1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(S[6]C[6]){1|C<4>,3|C<3>,5|H<1>}	101.5600	0.554	2	101.5600	0.307	2	101.5600	0.307	2	100.3978	1.311	5	102.0451	11.561	221	102.0448	11.241	236
286	466	762	6:SP2_SP2_SP3	S[6]	C[6]	C[6]	3:4:	4:2:1:1:	4:3:2:	C[6]-3:C[6]-4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:C[5]-3:S[6]-2:	S[6](C[6]C[5]C[6])(C[6]C[6]HH)	C[6](C[6]S[6]HH)(S[6]C[6])(H)2	C[6](C[6]C[6a]S[6]H)(C[5]C[5]2)(S[6]C[6])	S[6](C[6]C[5]C[6])(C[6]C[6]HH){1|C<4>,1|S<2>,2|C<3>,3|H<1>}	C[6](C[6]S[6]HH)(S[6]C[6])(H)2{1|C<3>,1|C<4>}	C[6](C[6]C[6a]S[6]H)(C[5]C[5]2)(S[6]C[6]){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	102.9290	0.000	1	102.9290	0.000	1	102.9290	0.000	1	102.9290	0.000	1	102.0451	11.561	221	102.0448	11.241	236
286	466	762	6:SP2_SP2_SP3	S[6]	C[6]	C[6]	3:4:	4:2:4:4:	3:3:2:	C[6]-3:C[6]-4:	C[6]-4:S[6]-2:C-4:C-4:	C[6a]-3:C[6]-3:S[6]-2:	S[6](C[6]C[6a]C[6])(C[6]C[6]CC)	C[6](C[6]C[6]HH)(S[6]C[6])(CH3)2	C[6](C[6a]C[6a]2)(C[6]C[6]C)(S[6]C[6])	S[6](C[6]C[6a]C[6])(C[6]C[6]CC){2|H<1>,4|C<3>}	C[6](C[6]C[6]HH)(S[6]C[6])(CH3)2{1|O<1>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(S[6]C[6]){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	102.0190	0.000	1	102.0190	0.000	1	102.0190	0.000	1	102.0190	0.000	1	102.0451	11.561	221	102.0448	11.241	236
286	466	762	6:SP2_SP2_SP3	S[6]	C[6]	C[6]	4:3:	2:2:1:1:	2:2:2:	C[6]-4:C[6]-3:	S[6]-2:S[6]-2:H-1:H-1:	N[6]-2:S[6]-2:N-2:	S[6](C[6]S[6]HH)(C[6]N[6]N)	C[6](S[6]C[6])2(H)2	C[6](N[6]C[6])(S[6]C[6])(NH)	S[6](C[6]S[6]HH)(C[6]N[6]N){1|C<3>}	C[6](S[6]C[6])2(H)2{1|N<3>,2|N<2>}	C[6](N[6]C[6])(S[6]C[6])(NH){1|N<3>,1|S<2>,2|H<1>}	98.5445	0.000	1	98.5445	0.000	1	98.5445	0.000	1	98.5445	0.000	1	102.0451	11.561	221	102.0448	11.241	236
286	466	762	6:SP2_SP2_SP3	S[6]	C[6]	C[6]	4:3:	2:2:1:1:	2:2:3:	C[6]-4:C[6]-3:	S[6]-2:S[6]-2:H-1:H-1:	N[6]-2:S[6]-2:N-3:	S[6](C[6]S[6]HH)(C[6]N[6]N)	C[6](S[6]C[6])2(H)2	C[6](N[6]C[6])(S[6]C[6])(NHH)	S[6](C[6]S[6]HH)(C[6]N[6]N){1|C<3>}	C[6](S[6]C[6])2(H)2{1|N<3>,2|N<2>}	C[6](N[6]C[6])(S[6]C[6])(NHH){1|N<2>,1|S<2>,2|H<1>}	97.9683	0.000	1	97.9683	0.000	1	97.9683	0.000	1	97.9683	0.000	1	102.0451	11.561	221	102.0448	11.241	236
286	466	762	6:SP2_SP2_SP3	S[6]	C[6]	C[6]	4:3:	3:2:1:1:	2:2:3:	C[6]-4:C[6]-3:	C[6,6a]-3:S[6]-2:H-1:H-1:	N[6]-2:S[6]-2:N-3:	S[6](C[6]C[6,6a]HH)(C[6]N[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(H)2	C[6](N[6]C[6,6a])(S[6]C[6])(NCH)	S[6](C[6]C[6,6a]HH)(C[6]N[6]N){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(H)2{1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a])(S[6]C[6])(NCH){2|C<3>,2|H<1>}	95.2878	0.013	2	95.2878	0.000	2	95.2878	0.000	2	95.0974	6.822	6	102.0451	11.561	221	102.0448	11.241	236
286	466	762	6:SP2_SP2_SP3	S[6]	C[6]	C[6]	4:3:	3:2:1:1:	2:2:3:	C[6]-4:C[6]-3:	C[6]-3:S[6]-2:H-1:H-1:	N[6]-2:S[6]-2:N-3:	S[6](C[6]C[6]HH)(C[6]N[6]N)	C[6](C[6]C[5a]N[6])(S[6]C[6])(H)2	C[6](N[6]N[6])(S[6]C[6])(NCH)	S[6](C[6]C[6]HH)(C[6]N[6]N){1|C<3>,1|N<2>}	C[6](C[6]C[5a]N[6])(S[6]C[6])(H)2{1|C<3>,1|N<2>,1|N<3>,1|S<2>}	C[6](N[6]N[6])(S[6]C[6])(NCH){1|C<3>,2|H<1>}	93.3714	0.108	2	93.3714	0.012	2	93.3196	0.014	3	95.0974	6.822	6	102.0451	11.561	221	102.0448	11.241	236
286	466	762	6:SP2_SP2_SP3	S[6]	C[6]	C[6]	4:3:	3:2:1:1:	2:2:3:	C[6]-4:C[6]-3:	C[6]-3:S[6]-2:H-1:H-1:	N[6]-2:S[6]-2:N-3:	S[6](C[6]C[6]HH)(C[6]N[6]N)	C[6](C[6]C[6a]N[6])(S[6]C[6])(H)2	C[6](N[6]N[6])(S[6]C[6])(NCH)	S[6](C[6]C[6]HH)(C[6]N[6]N){1|C<3>,1|N<2>}	C[6](C[6]C[6a]N[6])(S[6]C[6])(H)2{1|N<2>,1|N<3>,2|C<3>}	C[6](N[6]N[6])(S[6]C[6])(NCH){1|C<3>,2|H<1>}	93.2161	0.000	1	93.2161	0.000	1	93.3196	0.014	3	95.0974	6.822	6	102.0451	11.561	221	102.0448	11.241	236
286	466	762	6:SP2_SP2_SP3	S[6]	C[6]	C[6]	4:3:	3:2:1:1:	2:2:3:	C[6]-4:C[6]-3:	N[5,6]-3:S[6]-2:H-1:H-1:	N[6]-2:S[6]-2:N-3:	S[6](C[6]N[5,6]HH)(C[6]N[6]N)	C[6](N[5,6]C[5,6a]C[5,6])(S[6]C[6])(H)2	C[6](N[6]C[5,6])(S[6]C[6])(NC[6]H)	S[6](C[6]N[5,6]HH)(C[6]N[6]N){2|C<3>}	C[6](N[5,6]C[5,6a]C[5,6])(S[6]C[6])(H)2{1|N<2>,2|C<3>,2|N<3>}	C[6](N[6]C[5,6])(S[6]C[6])(NC[6]H){2|H<1>,2|N<3>}	100.0500	0.000	1	100.0500	0.000	1	100.0500	0.000	1	95.0974	6.822	6	102.0451	11.561	221	102.0448	11.241	236
286	466	762	6:SP2_SP2_SP3	S[6]	C[6]	C[6]	4:3:	3:2:1:1:	3:2:1:	C[6]-4:C[6]-3:	C[5a,6]-3:S[6]-2:H-1:H-1:	C[6]-3:S[6]-2:H-1:	S[6](C[6]C[5a,6]HH)(C[6]C[6]H)	C[6](C[5a,6]N[5a,6]N[5a])(S[6]C[6])(H)2	C[6](C[6]N[5a,6]C[6a])(S[6]C[6])(H)	S[6](C[6]C[5a,6]HH)(C[6]C[6]H){1|C<3>,1|N<2>,1|N<3>}	C[6](C[5a,6]N[5a,6]N[5a])(S[6]C[6])(H)2{1|H<1>,3|C<3>}	C[6](C[6]N[5a,6]C[6a])(S[6]C[6])(H){2|H<1>,4|C<3>}	97.0919	0.000	1	97.0919	0.000	1	97.0919	0.000	1	101.0563	11.792	3	102.0451	11.561	221	102.0448	11.241	236
286	466	762	6:SP2_SP2_SP3	S[6]	C[6]	C[6]	4:3:	3:2:1:1:	3:2:1:	C[6]-4:C[6]-3:	N[6]-3:S[6]-2:H-1:H-1:	N[6]-3:S[6]-2:S-1:	S[6](C[6]N[6]HH)(C[6]N[6]S)	C[6](N[6]C[6]C)(S[6]C[6])(H)2	C[6](N[6]C[6]C)(S[6]C[6])(S)	S[6](C[6]N[6]HH)(C[6]N[6]S){3|C<4>}	C[6](N[6]C[6]C)(S[6]C[6])(H)2{1|N<3>,1|S<1>,2|H<1>}	C[6](N[6]C[6]C)(S[6]C[6])(S){1|N<3>,4|H<1>}	103.1050	0.000	1	103.1050	0.000	1	103.0385	0.009	2	101.0563	11.792	3	102.0451	11.561	221	102.0448	11.241	236
286	466	762	6:SP2_SP2_SP3	S[6]	C[6]	C[6]	4:3:	3:2:1:1:	3:2:1:	C[6]-4:C[6]-3:	N[6]-3:S[6]-2:H-1:H-1:	N[6]-3:S[6]-2:S-1:	S[6](C[6]N[6]HH)(C[6]N[6]S)	C[6](N[6]C[6]C)(S[6]C[6])(H)2	C[6](N[6]C[6a]C[6])(S[6]C[6])(S)	S[6](C[6]N[6]HH)(C[6]N[6]S){1|C<3>,2|C<4>}	C[6](N[6]C[6]C)(S[6]C[6])(H)2{1|N<3>,1|S<1>,2|H<1>}	C[6](N[6]C[6a]C[6])(S[6]C[6])(S){1|N<3>,2|C<3>,4|H<1>}	102.9720	0.000	1	102.9720	0.000	1	103.0385	0.009	2	101.0563	11.792	3	102.0451	11.561	221	102.0448	11.241	236
286	466	762	6:SP2_SP2_SP3	S[6]	C[6]	C[6]	4:3:	3:2:1:1:	3:2:2:	C[6]-4:C[6]-3:	C[6]-3:S[6]-2:H-1:H-1:	C[6]-3:S[6]-2:S-2:	S[6](C[6]C[6]HH)(C[6]C[6]S)	C[6](C[6]O[6]C)(S[6]C[6])(H)2	C[6](C[6]C[5a]O[6])(S[6]C[6])(SC)	S[6](C[6]C[6]HH)(C[6]C[6]S){1|O<2>,2|C<3>}	C[6](C[6]O[6]C)(S[6]C[6])(H)2{1|C<3>,1|S<2>}	C[6](C[6]C[5a]O[6])(S[6]C[6])(SC){1|S<2>,2|C<3>,2|H<1>}	96.6769	0.000	1	96.6769	0.000	1	96.6769	0.000	1	96.9996	0.495	8	102.0451	11.561	221	102.0448	11.241	236
286	466	762	6:SP2_SP2_SP3	S[6]	C[6]	C[6]	4:3:	3:2:1:1:	3:2:2:	C[6]-4:C[6]-3:	C[6]-3:S[6]-2:H-1:H-1:	N[6]-3:S[6]-2:N-2:	S[6](C[6]C[6]HH)(C[6]N[6]N)	C[6](C[6]C[5a]N[6])(S[6]C[6])(H)2	C[6](N[6]N[6]H)(S[6]C[6])(NN)	S[6](C[6]C[6]HH)(C[6]N[6]N){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[5a]N[6])(S[6]C[6])(H)2{1|C<3>,1|N<2>,2|N<3>}	C[6](N[6]N[6]H)(S[6]C[6])(NN){1|C<3>,2|H<1>}	96.9923	0.496	4	96.9923	0.246	4	96.9150	0.525	6	96.9996	0.495	8	102.0451	11.561	221	102.0448	11.241	236
286	466	762	6:SP2_SP2_SP3	S[6]	C[6]	C[6]	4:3:	3:2:1:1:	3:2:2:	C[6]-4:C[6]-3:	C[6]-3:S[6]-2:H-1:H-1:	N[6]-3:S[6]-2:N-2:	S[6](C[6]C[6]HH)(C[6]N[6]N)	C[6](C[6]C[6a]N[6])(S[6]C[6])(H)2	C[6](N[6]N[6]H)(S[6]C[6])(NC)	S[6](C[6]C[6]HH)(C[6]N[6]N){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6a]N[6])(S[6]C[6])(H)2{1|N<2>,1|N<3>,2|C<3>}	C[6](N[6]N[6]H)(S[6]C[6])(NC){1|C<3>,2|H<1>}	97.7138	0.000	1	97.7138	0.000	1	96.9150	0.525	6	96.9996	0.495	8	102.0451	11.561	221	102.0448	11.241	236
286	466	762	6:SP2_SP2_SP3	S[6]	C[6]	C[6]	4:3:	3:2:1:1:	3:2:2:	C[6]-4:C[6]-3:	C[6]-3:S[6]-2:H-1:H-1:	N[6]-3:S[6]-2:N-2:	S[6](C[6]C[6]HH)(C[6]N[6]N)	C[6](C[6]C[6a]N[6])(S[6]C[6])(H)2	C[6](N[6]N[6]H)(S[6]C[6])(NC[6a])	S[6](C[6]C[6]HH)(C[6]N[6]N){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6a]N[6])(S[6]C[6])(H)2{1|N<2>,1|N<3>,2|C<3>}	C[6](N[6]N[6]H)(S[6]C[6])(NC[6a]){1|C<3>,2|H<1>}	95.8069	0.000	1	95.8069	0.000	1	96.9150	0.525	6	96.9996	0.495	8	102.0451	11.561	221	102.0448	11.241	236
286	466	762	6:SP2_SP2_SP3	S[6]	C[6]	C[6]	4:3:	3:2:1:1:	3:2:2:	C[6]-4:C[6]-3:	N[6]-3:S[6]-2:H-1:H-1:	C[6]-3:S[6]-2:S-2:	S[6](C[6]N[6]HH)(C[6]C[6]S)	C[6](N[6]C[6a]C[6])(S[6]C[6])(H)2	C[6](C[6]C[6]C)(S[6]C[6])(SC)	S[6](C[6]N[6]HH)(C[6]C[6]S){1|C<4>,2|C<3>}	C[6](N[6]C[6a]C[6])(S[6]C[6])(H)2{1|S<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]C)(S[6]C[6])(SC){1|N<3>,4|H<1>}	97.8303	0.000	1	97.8303	0.000	1	97.8303	0.000	1	96.9996	0.495	8	102.0451	11.561	221	102.0448	11.241	236
286	466	762	6:SP2_SP2_SP3	S[6]	C[6]	C[6]	4:3:	3:2:1:1:	3:3:2:	C[6]-4:C[6]-3:	C[5a,6]-3:S[6]-2:H-1:H-1:	C[6]-3:C[6a]-3:S[6]-2:	S[6](C[6]C[5a,6]HH)(C[6]C[6a]C[6])	C[6](C[5a,6]C[5a,6]N[5a])(S[6]C[6])(H)2	C[6](C[6]C[5a,6]I)(C[6a]C[6a]2)(S[6]C[6])	S[6](C[6]C[5a,6]HH)(C[6]C[6a]C[6]){1|I<1>,1|N<2>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(S[6]C[6])(H)2{1|N<2>,1|N<3>,2|C<3>}	C[6](C[6]C[5a,6]I)(C[6a]C[6a]2)(S[6]C[6]){1|N<3>,3|C<3>,4|H<1>}	102.0580	0.000	1	102.0580	0.000	1	102.0580	0.000	1	102.0580	0.000	1	102.0451	11.561	221	102.0448	11.241	236
286	466	762	6:SP2_SP2_SP3	S[6]	C[6]	C[6]	4:3:	3:2:2:2:	3:2:1:	C[6]-4:C[6]-3:	C[6a]-3:S[6]-2:S[6]-2:O-2:	C[5a,6]-3:S[6]-2:S-1:	S[6](C[6]C[6a]S[6]O)(C[6]C[5a,6]S)	C[6](C[6a]C[6a]2)(S[6]C[5a,6])(S[6]C[6])(OC)	C[6](C[5a,6]C[5a,6]N[5a])(S[6]C[6])(S)	S[6](C[6]C[6a]S[6]O)(C[6]C[5a,6]S){1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(S[6]C[5a,6])(S[6]C[6])(OC){1|S<1>,2|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(S[6]C[6])(S){1|C<4>,1|O<2>,1|S<2>,3|C<3>}	107.2965	0.381	2	107.2965	0.145	2	107.2965	0.145	2	107.2965	0.145	2	102.0451	11.561	221	102.0448	11.241	236
286	466	762	6:SP2_SP2_SP3	S[6]	C[6]	C[6]	4:3:	3:2:2:2:	3:2:2:	C[6]-4:C[6]-3:	C[6a]-3:S[6]-2:S[6]-2:O-2:	C[6]-3:S[6]-2:S-2:	S[6](C[6]C[6a]S[6]O)(C[6]C[6]S)	C[6](C[6a]C[6a]2)(S[6]C[6])2(OC)	C[6](C[6]C[6]H)(S[6]C[6])(SC)	S[6](C[6]C[6a]S[6]O)(C[6]C[6]S){1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(S[6]C[6])2(OC){2|H<1>,2|S<2>,3|C<3>}	C[6](C[6]C[6]H)(S[6]C[6])(SC){1|C<3>,1|O<2>,2|S<2>}	100.5710	0.000	1	100.5710	0.000	1	102.2745	5.804	2	102.2745	5.804	2	102.0451	11.561	221	102.0448	11.241	236
286	466	762	6:SP2_SP2_SP3	S[6]	C[6]	C[6]	4:3:	3:2:2:2:	3:2:2:	C[6]-4:C[6]-3:	C[6a]-3:S[6]-2:S[6]-2:O-2:	C[6]-3:S[6]-2:S-2:	S[6](C[6]C[6a]S[6]O)(C[6]C[6]S)	C[6](C[6a]C[6a]2)(S[6]C[6])2(OC)	C[6](C[6]C[6]H)(S[6]C[6])(SCr)	S[6](C[6]C[6a]S[6]O)(C[6]C[6]S){1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(S[6]C[6])2(OC){2|H<1>,2|S<2>,3|C<3>}	C[6](C[6]C[6]H)(S[6]C[6])(SCr){1|C<3>,1|O<2>,2|S<2>}	103.9780	0.000	1	103.9780	0.000	1	102.2745	5.804	2	102.2745	5.804	2	102.0451	11.561	221	102.0448	11.241	236
286	466	762	6:SP2_SP2_SP3	S[6]	C[6]	C[6]	4:3:	3:2:4:1:	3:2:4:	C[6]-4:C[6]-3:	C[6,6a]-3:S[6]-2:C-4:H-1:	C[6]-3:S[6]-2:C-4:	S[6](C[6]C[6,6a]CH)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(CC3)(H)	C[6](C[6]C[6,6a]C)(S[6]C[6])(CCHH)	S[6](C[6]C[6,6a]CH)(C[6]C[6]C){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(CC3)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C)(S[6]C[6])(CCHH){1|C<4>,1|H<1>,2|C<3>}	101.8780	0.000	1	101.8780	0.000	1	101.8780	0.000	1	101.8780	0.000	1	102.0451	11.561	221	102.0448	11.241	236
286	466	762	6:SP2_SP2_SP3	S[6]	C[6]	C[6]	4:3:	3:2:4:4:	2:2:3:	C[6]-4:C[6]-3:	N[6]-3:S[6]-2:C-4:C-4:	N[6]-2:S[6]-2:N-3:	S[6](C[6]N[6]CC)(C[6]N[6]N)	C[6](N[6]C[6]H)(S[6]C[6])(CH3)2	C[6](N[6]C[6])(S[6]C[6])(NC[6a]C)	S[6](C[6]N[6]CC)(C[6]N[6]N){1|C<3>,1|H<1>}	C[6](N[6]C[6]H)(S[6]C[6])(CH3)2{1|N<2>,1|N<3>,1|S<1>}	C[6](N[6]C[6])(S[6]C[6])(NC[6a]C){1|N<3>,1|S<1>,2|C<4>}	96.1782	0.696	2	96.1782	0.485	2	96.1782	0.485	2	96.1782	0.485	2	102.0451	11.561	221	102.0448	11.241	236
286	466	762	6:SP2_SP2_SP3	S[6]	C[6]	C[6]	4:3:	3:2:4:4:	3:2:3:	C[6]-4:C[6]-3:	N[6]-3:S[6]-2:C-4:C-4:	C[6]-3:S[6]-2:N-3:	S[6](C[6]N[6]CC)(C[6]C[6]N)	C[6](N[6]C[6]H)(S[6]C[6])(CH3)2	C[6](C[6]C[6]C)(S[6]C[6])(NCH)	S[6](C[6]N[6]CC)(C[6]C[6]N){1|C<2>,1|C<3>,1|H<1>}	C[6](N[6]C[6]H)(S[6]C[6])(CH3)2{1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6]C)(S[6]C[6])(NCH){1|N<3>,1|O<1>,2|C<4>}	100.4150	0.000	1	100.4150	0.000	1	100.4150	0.000	1	100.4150	0.000	1	102.0451	11.561	221	102.0448	11.241	236
286	466	762	6:SP2_SP2_SP3	S[6]	C[6]	C[6]	4:3:	3:3:2:1:	2:2:3:	C[6]-4:C[6]-3:	C[6a]-3:C[6]-3:S[6]-2:H-1:	N[6]-2:S[6]-2:N-3:	S[6](C[6]C[6a]C[6]H)(C[6]N[6]N)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(S[6]C[6])(H)	C[6](N[6]C[6])(S[6]C[6])(NHH)	S[6](C[6]C[6a]C[6]H)(C[6]N[6]N){4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(S[6]C[6])(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6])(S[6]C[6])(NHH){1|C<4>,1|H<1>,2|C<3>}	96.6811	0.000	1	96.6811	0.000	1	96.6811	0.000	1	96.6811	0.000	1	102.0451	11.561	221	102.0448	11.241	236
286	466	762	6:SP2_SP2_SP3	S[6]	C[6]	C[6]	4:3:	3:3:2:1:	3:2:1:	C[6]-4:C[6]-3:	C[6a]-3:C[6]-3:S[6]-2:H-1:	C[6]-3:S[6]-2:H-1:	S[6](C[6]C[6a]C[6]H)(C[6]C[6]H)	C[6](C[6a]C[6a]2)(C[6]N[6]O)(S[6]C[6])(H)	C[6](C[6]N[6]C)(S[6]C[6])(H)	S[6](C[6]C[6a]C[6]H)(C[6]C[6]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]O)(S[6]C[6])(H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]N[6]C)(S[6]C[6])(H){1|C<4>,1|H<1>,2|C<3>}	97.1007	0.000	1	97.1007	0.000	1	97.1007	0.000	1	97.1007	0.000	1	102.0451	11.561	221	102.0448	11.241	236
286	466	762	6:SP2_SP2_SP3	S[6]	C[6]	C[6]	4:3:	3:3:2:4:	3:3:2:	C[6]-4:C[6]-3:	C[6a]-3:C[6]-3:S[6]-2:C-4:	C[6a]-3:C[6]-3:S[6]-2:	S[6](C[6]C[6a]C[6]C)(C[6]C[6a]C[6])	C[6](C[6a]C[6a]2)(C[6]C[6]H)(S[6]C[6])(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(S[6]C[6])	S[6](C[6]C[6a]C[6]C)(C[6]C[6a]C[6]){2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(S[6]C[6])(CH3){2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(S[6]C[6]){1|C<4>,2|H<1>,5|C<3>}	100.8920	0.000	1	100.8920	0.000	1	100.8920	0.000	1	100.8920	0.000	1	102.0451	11.561	221	102.0448	11.241	236
286	466	762	6:SP2_SP2_SP3	S[6]	C[6]	C[6]	4:3:	3:4:2:1:	3:2:2:	C[6]-4:C[6]-3:	C[6a]-3:C[6]-4:S[6]-2:H-1:	C[6a]-3:N[6]-2:S[6]-2:	S[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(S[6]C[6])(H)	C[6](C[6a]C[6a]2)(N[6]C[6])(S[6]C[6])	S[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6]){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(S[6]C[6])(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6])(S[6]C[6]){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	102.8420	0.000	1	102.8420	0.000	1	102.8420	0.000	1	102.0205	0.784	4	102.0451	11.561	221	102.0448	11.241	236
286	466	762	6:SP2_SP2_SP3	S[6]	C[6]	C[6]	4:3:	3:4:2:1:	3:2:2:	C[6]-4:C[6]-3:	C[6a]-3:C[6]-4:S[6]-2:H-1:	N[6]-3:S[6]-2:N-2:	S[6](C[6]C[6a]C[6]H)(C[6]N[6]N)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(S[6]C[6])(H)	C[6](N[6]C[6a]C[6])(S[6]C[6])(NC)	S[6](C[6]C[6a]C[6]H)(C[6]N[6]N){2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(S[6]C[6])(H){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](N[6]C[6a]C[6])(S[6]C[6])(NC){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	101.7467	0.852	3	101.7467	0.726	3	101.7467	0.726	3	102.0205	0.784	4	102.0451	11.561	221	102.0448	11.241	236
286	466	762	6:SP2_SP2_SP3	S[6]	C[6]	C[6]	4:3:	3:4:2:1:	3:2:3:	C[6]-4:C[6]-3:	C[6a]-3:C[6]-4:S[6]-2:H-1:	N[6]-3:S[6]-2:N-3:	S[6](C[6]C[6a]C[6]H)(C[6]N[6]N)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(S[6]C[6])(H)	C[6](N[6]C[6]H)(S[6]C[6])(NHH)	S[6](C[6]C[6a]C[6]H)(C[6]N[6]N){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(S[6]C[6])(H){2|N<3>,3|C<3>,3|H<1>}	C[6](N[6]C[6]H)(S[6]C[6])(NHH){1|C<4>,2|C<3>,2|H<1>}	101.5347	0.203	3	101.5347	0.041	3	101.5347	0.041	3	101.5347	0.041	3	102.0451	11.561	221	102.0448	11.241	236
286	466	762	6:SP2_SP2_SP3	S[6]	C[6]	C[6]	4:3:	4:2:1:1:	2:2:1:	C[6]-4:C[6]-3:	C[5,6]-4:S[6]-2:H-1:H-1:	O[6]-2:S[6]-2:S-1:	S[6](C[6]C[5,6]HH)(C[6]O[6]S)	C[6](C[5,6]C[5,6]O[5]H)(S[6]C[6])(H)2	C[6](O[6]C[5,6])(S[6]C[6])(S)	S[6](C[6]C[5,6]HH)(C[6]O[6]S){1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(S[6]C[6])(H)2{1|H<1>,1|O<2>,1|S<1>,2|C<4>}	C[6](O[6]C[5,6])(S[6]C[6])(S){2|C<4>,3|H<1>}	106.7353	1.802	3	106.7353	3.247	3	106.7353	3.247	3	107.5294	1.499	11	102.0451	11.561	221	102.0448	11.241	236
286	466	762	6:SP2_SP2_SP3	S[6]	C[6]	C[6]	4:3:	4:2:1:1:	2:2:1:	C[6]-4:C[6]-3:	C[6]-4:S[6]-2:H-1:H-1:	S[6]-2:S[6]-2:S-1:	S[6](C[6]C[6]HH)(C[6]S[6]S)	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	C[6](S[6]C[6])2(S)	S[6](C[6]C[6]HH)(C[6]S[6]S){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|S<1>,1|S<2>,2|H<1>}	C[6](S[6]C[6])2(S){1|C<4>,4|H<1>}	107.3718	0.955	4	107.3718	0.911	4	107.8271	0.841	8	107.5294	1.499	11	102.0451	11.561	221	102.0448	11.241	236
286	466	762	6:SP2_SP2_SP3	S[6]	C[6]	C[6]	4:3:	4:2:1:1:	2:2:1:	C[6]-4:C[6]-3:	C[6]-4:S[6]-2:H-1:H-1:	S[6]-2:S[6]-2:S-1:	S[6](C[6]C[6]HH)(C[6]S[6]S)	C[6](C[6]C[6a]C[6]H)(S[6]C[6])(H)2	C[6](S[6]C[6])2(S)	S[6](C[6]C[6]HH)(C[6]S[6]S){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6a]C[6]H)(S[6]C[6])(H)2{1|C<3>,1|N<2>,1|S<1>,1|S<2>,2|H<1>}	C[6](S[6]C[6])2(S){1|C<4>,4|H<1>}	108.2825	0.706	4	108.2825	0.499	4	107.8271	0.841	8	107.5294	1.499	11	102.0451	11.561	221	102.0448	11.241	236
286	466	762	6:SP2_SP2_SP3	S[6]	C[6]	C[6]	4:3:	4:2:1:1:	2:2:2:	C[6]-4:C[6]-3:	C[6]-4:S[6]-2:H-1:H-1:	N[6]-2:S[6]-2:S-2:	S[6](C[6]C[6]HH)(C[6]N[6]S)	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	C[6](N[6]C[6])(S[6]C[6])(SC)	S[6](C[6]C[6]HH)(C[6]N[6]S){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|N<2>,1|S<2>,2|H<1>}	C[6](N[6]C[6])(S[6]C[6])(SC){1|C<4>,4|H<1>}	100.7665	0.252	2	100.7665	0.064	2	100.7665	0.064	2	100.7665	0.064	2	102.0451	11.561	221	102.0448	11.241	236
286	466	762	6:SP2_SP2_SP3	S[6]	C[6]	C[6]	4:3:	4:2:1:1:	2:2:3:	C[6]-4:C[6]-3:	C[5,6]-4:S[6]-2:H-1:H-1:	N[6]-2:S[6]-2:N-3:	S[6](C[6]C[5,6]HH)(C[6]N[6]N)	C[6](C[5,6]C[5,6]C[5]H)(S[6]C[6])(H)2	C[6](N[6]C[5,6])(S[6]C[6])(NCH)	S[6](C[6]C[5,6]HH)(C[6]N[6]N){1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(S[6]C[6])(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	C[6](N[6]C[5,6])(S[6]C[6])(NCH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	97.2123	0.004	2	97.2123	0.000	2	97.2123	0.000	2	101.8078	11.475	28	102.0451	11.561	221	102.0448	11.241	236
286	466	762	6:SP2_SP2_SP3	S[6]	C[6]	C[6]	4:3:	4:2:1:1:	2:2:3:	C[6]-4:C[6]-3:	C[6,6]-4:S[6]-2:H-1:H-1:	S[6]-2:S[6]-2:C-3:	S[6](C[6]C[6,6]HH)(C[6]S[6]C)	C[6](C[6,6]C[6]3)(S[6]C[6])(H)2	C[6](S[6]C[6])2(CCC)	S[6](C[6]C[6,6]HH)(C[6]S[6]C){3|C<4>}	C[6](C[6,6]C[6]3)(S[6]C[6])(H)2{1|C<3>,3|S<2>,6|H<1>}	C[6](S[6]C[6])2(CCC){1|C<4>,4|H<1>}	99.4256	1.057	2	99.4256	1.117	2	99.4256	1.117	2	101.8078	11.475	28	102.0451	11.561	221	102.0448	11.241	236
286	466	762	6:SP2_SP2_SP3	S[6]	C[6]	C[6]	4:3:	4:2:1:1:	2:2:3:	C[6]-4:C[6]-3:	C[6]-4:S[6]-2:H-1:H-1:	S[6]-2:S[6]-2:C-3:	S[6](C[6]C[6]HH)(C[6]S[6]C)	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	C[6](S[6]C[6])2(CCC)	S[6](C[6]C[6]HH)(C[6]S[6]C){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|C<3>,1|S<2>,2|H<1>}	C[6](S[6]C[6])2(CCC){1|C<4>,4|H<1>}	102.9317	3.042	6	102.9317	9.255	6	102.5526	7.104	8	101.8078	11.475	28	102.0451	11.561	221	102.0448	11.241	236
286	466	762	6:SP2_SP2_SP3	S[6]	C[6]	C[6]	4:3:	4:2:1:1:	2:2:3:	C[6]-4:C[6]-3:	C[6]-4:S[6]-2:H-1:H-1:	S[6]-2:S[6]-2:C-3:	S[6](C[6]C[6]HH)(C[6]S[6]C)	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	C[6](S[6]C[6])2(CC[6a]C)	S[6](C[6]C[6]HH)(C[6]S[6]C){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|C<3>,1|S<2>,2|H<1>}	C[6](S[6]C[6])2(CC[6a]C){1|C<4>,4|H<1>}	101.4155	0.054	2	101.4155	0.003	2	102.5526	7.104	8	101.8078	11.475	28	102.0451	11.561	221	102.0448	11.241	236
286	466	762	6:SP2_SP2_SP3	S[6]	C[6]	C[6]	4:3:	4:2:1:1:	2:2:3:	C[6]-4:C[6]-3:	C[6]-4:S[6]-2:H-1:H-1:	S[6]-2:S[6]-2:N-3:	S[6](C[6]C[6]HH)(C[6]S[6]N)	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	C[6](S[6]C[6])2(NFeN)	S[6](C[6]C[6]HH)(C[6]S[6]N){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|N<3>,1|S<2>,2|H<1>}	C[6](S[6]C[6])2(NFeN){1|C<4>,4|H<1>}	102.3076	3.624	16	102.3076	13.131	16	102.3076	13.131	16	101.8078	11.475	28	102.0451	11.561	221	102.0448	11.241	236
286	466	762	6:SP2_SP2_SP3	S[6]	C[6]	C[6]	4:3:	4:2:1:1:	3:2:1:	C[6]-4:C[6]-3:	C[6]-4:S[6]-2:H-1:H-1:	N[6]-3:S[6]-2:S-1:	S[6](C[6]C[6]HH)(C[6]N[6]S)	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	C[6](N[6]C[6]C)(S[6]C[6])(S)	S[6](C[6]C[6]HH)(C[6]N[6]S){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|N<3>,1|S<1>,2|H<1>}	C[6](N[6]C[6]C)(S[6]C[6])(S){1|C<4>,4|H<1>}	106.1253	0.280	3	106.1253	0.078	3	106.1495	0.055	4	106.1495	0.055	4	102.0451	11.561	221	102.0448	11.241	236
286	466	762	6:SP2_SP2_SP3	S[6]	C[6]	C[6]	4:3:	4:2:1:1:	3:2:1:	C[6]-4:C[6]-3:	C[6]-4:S[6]-2:H-1:H-1:	N[6]-3:S[6]-2:S-1:	S[6](C[6]C[6]HH)(C[6]N[6]S)	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	C[6](N[6]C[6]N)(S[6]C[6])(S)	S[6](C[6]C[6]HH)(C[6]N[6]S){1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|N<3>,1|S<1>,2|H<1>}	C[6](N[6]C[6]N)(S[6]C[6])(S){1|C<4>,4|H<1>}	106.2220	0.000	1	106.2220	0.000	1	106.1495	0.055	4	106.1495	0.055	4	102.0451	11.561	221	102.0448	11.241	236
286	466	762	6:SP2_SP2_SP3	S[6]	C[6]	C[6]	4:3:	4:2:1:1:	3:2:2:	C[6]-4:C[6]-3:	C[6,6]-4:S[6]-2:H-1:H-1:	N[6,6]-3:S[6]-2:N-2:	S[6](C[6]C[6,6]HH)(C[6]N[6,6]N)	C[6](C[6,6]C[6,6]C[6]H)(S[6]C[6])(H)2	C[6](N[6,6]C[6,6]C[6])(S[6]C[6])(NC[6a])	S[6](C[6]C[6,6]HH)(C[6]N[6,6]N){1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(S[6]C[6])(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(S[6]C[6])(NC[6a]){2|C<4>,6|H<1>}	99.7219	1.020	2	99.7219	1.040	2	99.7219	1.040	2	102.4339	8.300	35	102.0451	11.561	221	102.0448	11.241	236
286	466	762	6:SP2_SP2_SP3	S[6]	C[6]	C[6]	4:3:	4:2:1:1:	3:2:2:	C[6]-4:C[6]-3:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-3:S[6]-2:N-2:	S[6](C[6]C[6]HH)(C[6]C[6]N)	C[6](C[6]S[6]HH)(S[6]C[6])(H)2	C[6](C[6]S[6]N)(S[6]C[6])(NC[6a])	S[6](C[6]C[6]HH)(C[6]C[6]N){1|N<2>,1|S<2>,2|H<1>}	C[6](C[6]S[6]HH)(S[6]C[6])(H)2{1|C<3>,1|N<2>}	C[6](C[6]S[6]N)(S[6]C[6])(NC[6a]){1|C<4>,2|H<1>}	101.7290	0.000	1	101.7290	0.000	1	101.7290	0.000	1	102.4339	8.300	35	102.0451	11.561	221	102.0448	11.241	236
286	466	762	6:SP2_SP2_SP3	S[6]	C[6]	C[6]	4:3:	4:2:1:1:	3:2:2:	C[6]-4:C[6]-3:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-3:S[6]-2:S-2:	S[6](C[6]C[6]HH)(C[6]C[6]S)	C[6](C[6]S[6]HH)(S[6]C[6])(H)2	C[6](C[6]S[6]S)(S[6]C[6])(SC)	S[6](C[6]C[6]HH)(C[6]C[6]S){2|H<1>,2|S<2>}	C[6](C[6]S[6]HH)(S[6]C[6])(H)2{1|C<3>,1|S<2>}	C[6](C[6]S[6]S)(S[6]C[6])(SC){1|C<4>,2|H<1>}	102.0250	1.188	2	102.0250	1.411	2	102.7902	8.737	22	102.4339	8.300	35	102.0451	11.561	221	102.0448	11.241	236
286	466	762	6:SP2_SP2_SP3	S[6]	C[6]	C[6]	4:3:	4:2:1:1:	3:2:2:	C[6]-4:C[6]-3:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-3:S[6]-2:S-2:	S[6](C[6]C[6]HH)(C[6]C[6]S)	C[6](C[6]S[6]HH)(S[6]C[6])(H)2	C[6](C[6]S[6]S)(S[6]C[6])(SNi)	S[6](C[6]C[6]HH)(C[6]C[6]S){2|H<1>,2|S<2>}	C[6](C[6]S[6]HH)(S[6]C[6])(H)2{1|C<3>,1|S<2>}	C[6](C[6]S[6]S)(S[6]C[6])(SNi){1|C<4>,2|H<1>}	102.7880	3.659	10	102.7880	13.389	10	102.7902	8.737	22	102.4339	8.300	35	102.0451	11.561	221	102.0448	11.241	236
286	466	762	6:SP2_SP2_SP3	S[6]	C[6]	C[6]	4:3:	4:2:1:1:	3:2:2:	C[6]-4:C[6]-3:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-3:S[6]-2:S-2:	S[6](C[6]C[6]HH)(C[6]C[6]S)	C[6](C[6]S[6]HH)(S[6]C[6])(H)2	C[6](C[6]S[6]S)(S[6]C[6])(SPd)	S[6](C[6]C[6]HH)(C[6]C[6]S){2|H<1>,2|S<2>}	C[6](C[6]S[6]HH)(S[6]C[6])(H)2{1|C<3>,1|S<2>}	C[6](C[6]S[6]S)(S[6]C[6])(SPd){1|C<4>,2|H<1>}	103.6018	2.150	4	103.6018	4.622	4	102.7902	8.737	22	102.4339	8.300	35	102.0451	11.561	221	102.0448	11.241	236
286	466	762	6:SP2_SP2_SP3	S[6]	C[6]	C[6]	4:3:	4:2:1:1:	3:2:2:	C[6]-4:C[6]-3:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-3:S[6]-2:S-2:	S[6](C[6]C[6]HH)(C[6]C[6]S)	C[6](C[6]S[6]HH)(S[6]C[6])(H)2	C[6](C[6]S[6]S)(S[6]C[6])(SPt)	S[6](C[6]C[6]HH)(C[6]C[6]S){2|H<1>,2|S<2>}	C[6](C[6]S[6]HH)(S[6]C[6])(H)2{1|C<3>,1|S<2>}	C[6](C[6]S[6]S)(S[6]C[6])(SPt){1|C<4>,2|H<1>}	102.1569	3.728	4	102.1569	13.895	4	102.7902	8.737	22	102.4339	8.300	35	102.0451	11.561	221	102.0448	11.241	236
286	466	762	6:SP2_SP2_SP3	S[6]	C[6]	C[6]	4:3:	4:2:1:1:	3:2:2:	C[6]-4:C[6]-3:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-3:S[6]-2:S-2:	S[6](C[6]C[6]HH)(C[6]C[6]S)	C[6](C[6]S[6]HH)(S[6]C[6])(H)2	C[6](C[6]S[6]S)(S[6]C[6])(SSn)	S[6](C[6]C[6]HH)(C[6]C[6]S){2|H<1>,2|S<2>}	C[6](C[6]S[6]HH)(S[6]C[6])(H)2{1|C<3>,1|S<2>}	C[6](C[6]S[6]S)(S[6]C[6])(SSn){1|C<4>,2|H<1>}	103.2100	0.505	2	103.2100	0.255	2	102.7902	8.737	22	102.4339	8.300	35	102.0451	11.561	221	102.0448	11.241	236
286	466	762	6:SP2_SP2_SP3	S[6]	C[6]	C[6]	4:3:	4:2:1:1:	3:2:2:	C[6]-4:C[6]-3:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-3:S[6]-2:Se-2:	S[6](C[6]C[6]HH)(C[6]C[6]Se)	C[6](C[6]S[6]HH)(S[6]C[6])(H)2	C[6](C[6]S[6]Se)(S[6]C[6])(SeNi)	S[6](C[6]C[6]HH)(C[6]C[6]Se){1|Se<2>,1|S<2>,2|H<1>}	C[6](C[6]S[6]HH)(S[6]C[6])(H)2{1|Se<2>,1|C<3>}	C[6](C[6]S[6]Se)(S[6]C[6])(SeNi){1|C<4>,2|H<1>}	102.1892	3.322	8	102.1892	11.035	8	102.1892	11.035	8	102.4339	8.300	35	102.0451	11.561	221	102.0448	11.241	236
286	466	762	6:SP2_SP2_SP3	S[6]	C[6]	C[6]	4:3:	4:2:1:1:	3:2:2:	C[6]-4:C[6]-3:	C[6]-4:S[6]-2:H-1:H-1:	N[6]-3:S[6]-2:N-2:	S[6](C[6]C[6]HH)(C[6]N[6]N)	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	C[6](N[6]C[6]H)(S[6]C[6])(NC)	S[6](C[6]C[6]HH)(C[6]N[6]N){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|N<2>,1|N<3>,2|H<1>}	C[6](N[6]C[6]H)(S[6]C[6])(NC){1|C<4>,4|H<1>}	103.5360	0.000	1	103.5360	0.000	1	102.5575	1.915	2	102.4339	8.300	35	102.0451	11.561	221	102.0448	11.241	236
286	466	762	6:SP2_SP2_SP3	S[6]	C[6]	C[6]	4:3:	4:2:1:1:	3:2:2:	C[6]-4:C[6]-3:	C[6]-4:S[6]-2:H-1:H-1:	N[6]-3:S[6]-2:N-2:	S[6](C[6]C[6]HH)(C[6]N[6]N)	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	C[6](N[6]C[6]H)(S[6]C[6])(NC[6a])	S[6](C[6]C[6]HH)(C[6]N[6]N){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|N<2>,1|N<3>,1|O<1>}	C[6](N[6]C[6]H)(S[6]C[6])(NC[6a]){1|C<4>,1|O<1>,2|H<1>}	101.5790	0.000	1	101.5790	0.000	1	102.5575	1.915	2	102.4339	8.300	35	102.0451	11.561	221	102.0448	11.241	236
286	466	762	6:SP2_SP2_SP3	S[6]	C[6]	C[6]	4:3:	4:2:1:1:	3:2:3:	C[6]-4:C[6]-3:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-3:S[6]-2:C-3:	S[6](C[6]C[6]HH)(C[6]C[6]C)	C[6](C[6]C[6]CH)(S[6]C[6])(H)2	C[6](C[6]C[6]C)(S[6]C[6])(COO)	S[6](C[6]C[6]HH)(C[6]C[6]C){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]CH)(S[6]C[6])(H)2{1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(S[6]C[6])(COO){1|C<4>,1|N<3>,3|H<1>}	99.5168	0.000	1	99.5168	0.000	1	98.4285	0.632	4	100.1626	3.566	12	102.0451	11.561	221	102.0448	11.241	236
286	466	762	6:SP2_SP2_SP3	S[6]	C[6]	C[6]	4:3:	4:2:1:1:	3:2:3:	C[6]-4:C[6]-3:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-3:S[6]-2:C-3:	S[6](C[6]C[6]HH)(C[6]C[6]C)	C[6](C[6]O[6]HH)(S[6]C[6])(H)2	C[6](C[6]O[6]C)(S[6]C[6])(CNO)	S[6](C[6]C[6]HH)(C[6]C[6]C){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]O[6]HH)(S[6]C[6])(H)2{2|C<3>}	C[6](C[6]O[6]C)(S[6]C[6])(CNO){1|C<4>,2|H<1>}	98.0658	0.399	3	98.0658	0.159	3	98.4285	0.632	4	100.1626	3.566	12	102.0451	11.561	221	102.0448	11.241	236
286	466	762	6:SP2_SP2_SP3	S[6]	C[6]	C[6]	4:3:	4:2:1:1:	3:2:3:	C[6]-4:C[6]-3:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-3:S[6]-2:N-3:	S[6](C[6]C[6]HH)(C[6]C[6]N)	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	C[6](C[6]C[6]C)(S[6]C[6])(NHH)	S[6](C[6]C[6]HH)(C[6]C[6]N){1|C<2>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(S[6]C[6])(NHH){1|C<4>,4|H<1>}	101.4370	0.000	1	101.4370	0.000	1	101.4370	0.000	1	100.1626	3.566	12	102.0451	11.561	221	102.0448	11.241	236
286	466	762	6:SP2_SP2_SP3	S[6]	C[6]	C[6]	4:3:	4:2:1:1:	3:2:3:	C[6]-4:C[6]-3:	C[6]-4:S[6]-2:H-1:H-1:	N[6]-3:S[6]-2:C-3:	S[6](C[6]C[6]HH)(C[6]N[6]C)	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	C[6](N[6]C[6]H)(S[6]C[6])(CCH)	S[6](C[6]C[6]HH)(C[6]N[6]C){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|C<3>,1|N<3>,1|O<1>}	C[6](N[6]C[6]H)(S[6]C[6])(CCH){1|C<4>,1|O<1>,2|H<1>}	99.5691	0.253	2	99.5691	0.064	2	99.5691	0.064	2	100.1626	3.566	12	102.0451	11.561	221	102.0448	11.241	236
286	466	762	6:SP2_SP2_SP3	S[6]	C[6]	C[6]	4:3:	4:2:1:1:	3:2:3:	C[6]-4:C[6]-3:	C[6]-4:S[6]-2:H-1:H-1:	N[6]-3:S[6]-2:N-3:	S[6](C[6]C[6]HH)(C[6]N[6]N)	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	C[6](N[6]C[6]H)(S[6]C[6])(NC[6a]H)	S[6](C[6]C[6]HH)(C[6]N[6]N){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{2|H<1>,2|N<3>}	C[6](N[6]C[6]H)(S[6]C[6])(NC[6a]H){1|C<4>,4|H<1>}	102.8460	0.460	3	102.8460	0.211	3	102.8460	0.211	3	100.1626	3.566	12	102.0451	11.561	221	102.0448	11.241	236
286	466	762	6:SP2_SP2_SP3	S[6]	C[6]	C[6]	4:3:	4:2:1:1:	3:2:3:	C[6]-4:C[6]-3:	C[6]-4:S[6]-2:H-1:H-1:	S[6]-3:S[6]-2:C-3:	S[6](C[6]C[6]HH)(C[6]S[6]C)	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	C[6](S[6]C[6]Pd)(S[6]C[6])(CC[5]H)	S[6](C[6]C[6]HH)(C[6]S[6]C){1|Pd<4>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|C<3>,1|S<3>,2|H<1>}	C[6](S[6]C[6]Pd)(S[6]C[6])(CC[5]H){1|C<4>,4|H<1>}	99.5622	0.409	2	99.5622	0.168	2	99.5622	0.168	2	100.1626	3.566	12	102.0451	11.561	221	102.0448	11.241	236
286	466	762	6:SP2_SP2_SP3	S[6]	C[6]	C[6]	4:3:	4:2:1:1:	3:2:4:	C[6]-4:C[6]-3:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-3:S[6]-2:C-4:	S[6](C[6]C[6]HH)(C[6]C[6]C)	C[6](C[6]C[6]CH)(S[6]C[6])(H)2	C[6](C[6]C[6]H)(S[6]C[6])(CCCO)	S[6](C[6]C[6]HH)(C[6]C[6]C){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(S[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]H)(S[6]C[6])(CCCO){1|C<4>,1|O<1>,2|H<1>}	99.9264	0.000	1	99.9264	0.000	1	102.0024	16.232	3	102.0024	16.232	3	102.0451	11.561	221	102.0448	11.241	236
286	466	762	6:SP2_SP2_SP3	S[6]	C[6]	C[6]	4:3:	4:2:1:1:	3:2:4:	C[6]-4:C[6]-3:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-3:S[6]-2:C-4:	S[6](C[6]C[6]HH)(C[6]C[6]C)	C[6](C[6]S[6]HH)(S[6]C[6])(H)2	C[6](C[6]S[6]C)(S[6]C[6])(CC[5]HO)	S[6](C[6]C[6]HH)(C[6]C[6]C){1|C<4>,1|S<2>,2|H<1>}	C[6](C[6]S[6]HH)(S[6]C[6])(H)2{1|C<3>,1|C<4>}	C[6](C[6]S[6]C)(S[6]C[6])(CC[5]HO){1|C<4>,2|H<1>}	99.4349	0.000	1	99.4349	0.000	1	102.0024	16.232	3	102.0024	16.232	3	102.0451	11.561	221	102.0448	11.241	236
286	466	762	6:SP2_SP2_SP3	S[6]	C[6]	C[6]	4:3:	4:2:1:1:	3:2:4:	C[6]-4:C[6]-3:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-3:S[6]-2:C-4:	S[6](C[6]C[6]HH)(C[6]C[6]C)	C[6](C[6]S[6]HH)(S[6]C[6])(H)2	C[6](C[6]S[6]C)(S[6]C[6])(CHHO)	S[6](C[6]C[6]HH)(C[6]C[6]C){1|C<4>,1|S<2>,2|H<1>}	C[6](C[6]S[6]HH)(S[6]C[6])(H)2{1|C<3>,1|C<4>}	C[6](C[6]S[6]C)(S[6]C[6])(CHHO){1|C<4>,2|H<1>}	106.6460	0.000	1	106.6460	0.000	1	102.0024	16.232	3	102.0024	16.232	3	102.0451	11.561	221	102.0448	11.241	236
286	466	762	6:SP2_SP2_SP3	S[6]	C[6]	C[6]	4:3:	4:2:2:1:	2:2:3:	C[6]-4:C[6]-3:	C[6]-4:S[6]-2:S-2:H-1:	O[6]-2:S[6]-2:C-3:	S[6](C[6]C[6]HS)(C[6]O[6]C)	C[6](C[6]C[6a]C[6]C)(S[6]C[6])(SC)(H)	C[6](O[6]C[6])(S[6]C[6])(CC[6a]C)	S[6](C[6]C[6]HS)(C[6]O[6]C){1|C<4>,2|C<3>}	C[6](C[6]C[6a]C[6]C)(S[6]C[6])(SC)(H){1|O<1>,1|O<2>,3|C<3>}	C[6](O[6]C[6])(S[6]C[6])(CC[6a]C){1|C<4>,1|H<1>,1|O<1>,1|S<2>}	98.1352	0.000	1	98.1352	0.000	1	98.1352	0.000	1	98.1352	0.000	1	102.0451	11.561	221	102.0448	11.241	236
286	466	762	6:SP2_SP2_SP3	S[6]	C[6]	C[6]	4:3:	4:2:2:1:	3:2:1:	C[6]-4:C[6]-3:	C[6]-4:S[6]-2:S[6]-2:H-1:	C[6]-3:S[6]-2:H-1:	S[6](C[6]C[6]S[6]H)(C[6]C[6]H)	C[6](C[6]S[6]2H)(S[6]C[6])(S[6]S[6])(H)	C[6](C[6]S[6]H)(S[6]C[6])(H)	S[6](C[6]C[6]S[6]H)(C[6]C[6]H){2|H<1>,3|S<2>}	C[6](C[6]S[6]2H)(S[6]C[6])(S[6]S[6])(H){1|H<1>,1|S<2>,2|C<3>}	C[6](C[6]S[6]H)(S[6]C[6])(H){1|C<4>,1|H<1>,1|S<2>}	106.7530	0.000	1	106.7530	0.000	1	106.7530	0.000	1	106.7530	0.000	1	102.0451	11.561	221	102.0448	11.241	236
286	466	762	6:SP2_SP2_SP3	S[6]	C[6]	C[6]	4:3:	4:2:4:1:	2:2:3:	C[6]-4:C[6]-3:	C[6]-4:S[6]-2:C-4:H-1:	N[6]-2:S[6]-2:N-3:	S[6](C[6]C[6]CH)(C[6]N[6]N)	C[6](C[6]C[6]HH)(S[6]C[6])(CF3)(H)	C[6](N[6]C[6])(S[6]C[6])(NHH)	S[6](C[6]C[6]CH)(C[6]N[6]N){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(S[6]C[6])(CF3)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C[6](N[6]C[6])(S[6]C[6])(NHH){1|C<3>,1|H<1>,3|C<4>}	99.7228	2.245	2	99.7228	5.038	2	99.7228	5.038	2	99.7228	5.038	2	102.0451	11.561	221	102.0448	11.241	236
286	466	762	6:SP2_SP2_SP3	S[6]	C[6]	C[6]	4:3:	4:2:4:1:	3:2:1:	C[6]-4:C[6]-3:	C[6]-4:S[6]-2:C-4:H-1:	N[6]-3:S[6]-2:O-1:	S[6](C[6]C[6]CH)(C[6]N[6]O)	C[6](C[6]C[6]HH)(S[6]C[6])(CH3)(H)	C[6](N[6]C[6]C)(S[6]C[6])(O)	S[6](C[6]C[6]CH)(C[6]N[6]O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(S[6]C[6])(CH3)(H){1|N<3>,2|O<1>}	C[6](N[6]C[6]C)(S[6]C[6])(O){1|H<1>,1|O<1>,2|C<4>}	102.8340	0.000	1	102.8340	0.000	1	102.8340	0.000	1	102.8340	0.000	1	102.0451	11.561	221	102.0448	11.241	236
286	466	762	6:SP2_SP2_SP3	S[6]	C[6]	C[6]	4:3:	4:2:4:1:	3:2:2:	C[6]-4:C[6]-3:	C[6]-4:S[6]-2:C-4:H-1:	C[6]-3:S[6]-2:S-2:	S[6](C[6]C[6]CH)(C[6]C[6]S)	C[6](C[6]S[6]CH)(S[6]C[6])(CH3)(H)	C[6](C[6]S[6]S)(S[6]C[6])(SAu)	S[6](C[6]C[6]CH)(C[6]C[6]S){1|C<4>,1|H<1>,2|S<2>}	C[6](C[6]S[6]CH)(S[6]C[6])(CH3)(H){1|C<3>,1|S<2>}	C[6](C[6]S[6]S)(S[6]C[6])(SAu){1|H<1>,2|C<4>}	104.5784	2.727	12	104.5784	7.438	12	104.4453	6.647	24	104.4453	6.647	24	102.0451	11.561	221	102.0448	11.241	236
286	466	762	6:SP2_SP2_SP3	S[6]	C[6]	C[6]	4:3:	4:2:4:1:	3:2:2:	C[6]-4:C[6]-3:	C[6]-4:S[6]-2:C-4:H-1:	C[6]-3:S[6]-2:S-2:	S[6](C[6]C[6]CH)(C[6]C[6]S)	C[6](C[6]S[6]CH)(S[6]C[6])(CH3)(H)	C[6](C[6]S[6]S)(S[6]C[6])(SNi)	S[6](C[6]C[6]CH)(C[6]C[6]S){1|C<4>,1|H<1>,2|S<2>}	C[6](C[6]S[6]CH)(S[6]C[6])(CH3)(H){1|C<3>,1|S<2>}	C[6](C[6]S[6]S)(S[6]C[6])(SNi){1|H<1>,2|C<4>}	104.3121	2.534	12	104.3121	6.422	12	104.4453	6.647	24	104.4453	6.647	24	102.0451	11.561	221	102.0448	11.241	236
286	466	762	6:SP2_SP2_SP3	S[6]	C[6]	C[6]	4:3:	4:2:4:1:	3:2:3:	C[6]-4:C[6]-3:	C[6]-4:S[6]-2:C-4:H-1:	S[6]-3:S[6]-2:C-3:	S[6](C[6]C[6]CH)(C[6]S[6]C)	C[6](C[6]C[6]HH)(S[6]C[6])(CH3)(H)	C[6](S[6]C[6]O)(S[6]C[6])(CCC)	S[6](C[6]C[6]CH)(C[6]S[6]C){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(S[6]C[6])(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|S<3>}	C[6](S[6]C[6]O)(S[6]C[6])(CCC){2|H<1>,3|C<4>}	102.2760	0.000	1	102.2760	0.000	1	101.9280	0.242	2	101.9280	0.242	2	102.0451	11.561	221	102.0448	11.241	236
286	466	762	6:SP2_SP2_SP3	S[6]	C[6]	C[6]	4:3:	4:2:4:1:	3:2:3:	C[6]-4:C[6]-3:	C[6]-4:S[6]-2:C-4:H-1:	S[6]-3:S[6]-2:C-3:	S[6](C[6]C[6]CH)(C[6]S[6]C)	C[6](C[6]C[6]HH)(S[6]C[6])(CH3)(H)	C[6](S[6]C[6]O)(S[6]C[6])(CHH)	S[6](C[6]C[6]CH)(C[6]S[6]C){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(S[6]C[6])(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|S<3>}	C[6](S[6]C[6]O)(S[6]C[6])(CHH){2|H<1>,3|C<4>}	101.5800	0.000	1	101.5800	0.000	1	101.9280	0.242	2	101.9280	0.242	2	102.0451	11.561	221	102.0448	11.241	236
286	466	762	6:SP2_SP2_SP3	S[6]	C[6]	C[6]	4:3:	4:2:4:4:	3:2:2:	C[6]-4:C[6]-3:	C[6]-4:S[6]-2:C-4:C-4:	C[6]-3:S[6]-2:S-2:	S[6](C[6]C[6]CC)(C[6]C[6]S)	C[6](C[6]C[6]HH)(S[6]C[6])(CH3)2	C[6](C[6]C[6]C)(S[6]C[6])(SC)	S[6](C[6]C[6]CC)(C[6]C[6]S){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(S[6]C[6])(CH3)2{1|C<3>,1|S<2>,2|H<1>}	C[6](C[6]C[6]C)(S[6]C[6])(SC){2|H<1>,3|C<4>}	101.3970	0.000	1	101.3970	0.000	1	101.3970	0.000	1	101.3970	0.000	1	102.0451	11.561	221	102.0448	11.241	236
286	466	818	6:SP2_SP2_SP3	S[6]	C[3x6]	C[5,6]	3:4:	4:4:2:1:	3:2:2:	C[5,6]-3:C[3x6]-4:	C[3x6]-4:C[3x6]-4:S[6]-2:H-1:	C[5,6]-3:S[6]-2:S[5]-2:	S[6](C[5,6]C[5,6]S[5])(C[3x6]C[3x6]2H)	C[3x6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[3x6]S[6]H)(S[6]C[5,6])(H)	C[5,6](C[5,6]S[5]S[6])(S[6]C[3x6])(S[5]C[5])	S[6](C[5,6]C[5,6]S[5])(C[3x6]C[3x6]2H){2|C<3>,2|C<4>,2|H<1>,2|S<2>}	C[3x6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[3x6]S[6]H)(S[6]C[5,6])(H){1|C<4>,1|S<2>,3|C<3>,3|H<1>}	C[5,6](C[5,6]S[5]S[6])(S[6]C[3x6])(S[5]C[5]){1|C<3>,1|H<1>,2|C<4>}	100.9805	0.880	2	100.9805	0.775	2	100.9805	0.775	2	100.9805	0.775	2	101.5624	3.817	6	101.1709	4.271	997
286	466	818	6:SP2_SP2_SP3	S[6]	C[3x6]	C[5,6]	4:3:	4:4:2:1:	3:2:2:	C[3x6]-4:C[5,6]-3:	C[3x6]-4:C[6,6]-4:S[6]-2:H-1:	C[5,6]-3:S[6]-2:S[5]-2:	S[6](C[3x6]C[3x6]C[6,6]H)(C[5,6]C[5,6]S[5])	C[3x6](C[3x6]C[4,6,6]S[6]C)(C[6,6]C[4,6,6]HH)(S[6]C[5,6])(H)	C[5,6](C[5,6]S[5]S[6])(S[6]C[3x6])(S[5]C[5])	S[6](C[3x6]C[3x6]C[6,6]H)(C[5,6]C[5,6]S[5]){1|C<3>,2|H<1>,2|S<2>,3|C<4>}	C[3x6](C[3x6]C[4,6,6]S[6]C)(C[6,6]C[4,6,6]HH)(S[6]C[5,6])(H){1|C<3>,1|S<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]S[5]S[6])(S[6]C[3x6])(S[5]C[5]){1|H<1>,1|S<1>,2|C<4>}	98.7133	0.000	1	98.7133	0.000	1	98.7133	0.000	1	98.7133	0.000	1	101.5624	3.817	6	101.1709	4.271	997
286	466	818	6:SP2_SP2_SP3	S[6]	C[3x6]	C[5,6]	4:3:	4:4:2:4:	3:2:2:	C[3x6]-4:C[5,6]-3:	C[3x6]-4:C[4,6,6]-4:S[6]-2:C-4:	C[5,6]-3:S[6]-2:S[5]-2:	S[6](C[3x6]C[4,6,6]C[3x6]C)(C[5,6]C[5,6]S[5])	C[3x6](C[3x6]C[6,6]S[6]H)(C[4,6,6]C[4,6]2H)(S[6]C[5,6])(CH3)	C[5,6](C[5,6]S[5]S[6])(S[6]C[3x6])(S[5]C[5])	S[6](C[3x6]C[4,6,6]C[3x6]C)(C[5,6]C[5,6]S[5]){1|C<3>,2|H<1>,2|S<2>,3|C<4>}	C[3x6](C[3x6]C[6,6]S[6]H)(C[4,6,6]C[4,6]2H)(S[6]C[5,6])(CH3){1|C<3>,1|S<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]S[5]S[6])(S[6]C[3x6])(S[5]C[5]){1|S<1>,3|C<4>}	104.4120	0.000	1	104.4120	0.000	1	104.4120	0.000	1	104.4120	0.000	1	101.5624	3.817	6	101.1709	4.271	997
286	466	818	6:SP2_SP2_SP3	S[6]	C[3x6]	C[5,6]	4:3:	4:4:4:2:	3:2:2:	C[3x6]-4:C[5,6]-3:	C[4,6,6]-4:C[6,6]-4:C[6]-4:S[6]-2:	C[5,6]-3:S[6]-2:S[5]-2:	S[6](C[3x6]C[4,6,6]C[6,6]C[6])(C[5,6]C[5,6]S[5])	C[3x6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(C[6]S[6]HH)(S[6]C[5,6])	C[5,6](C[5,6]S[5]S[6])(S[6]C[3x6])(S[5]C[5])	S[6](C[3x6]C[4,6,6]C[6,6]C[6])(C[5,6]C[5,6]S[5]){1|C<3>,2|S<2>,3|C<4>,5|H<1>}	C[3x6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(C[6]S[6]HH)(S[6]C[5,6]){1|C<3>,1|S<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]S[5]S[6])(S[6]C[3x6])(S[5]C[5]){1|S<1>,3|C<4>}	102.1440	0.847	2	102.1440	0.718	2	102.1440	0.718	2	102.1440	0.718	2	101.5624	3.817	6	101.1709	4.271	997
286	466	818	6:SP2_SP2_SP3	S[6]	C[6,6]	C[5,6]	4:3:	4:2:2:1:	3:2:2:	C[6,6]-4:C[5,6]-3:	C[6,6]-4:S[6]-2:O[6]-2:H-1:	C[5,6]-3:S[6]-2:S[5]-2:	S[6](C[6,6]C[6,6]O[6]H)(C[5,6]C[5,6]S[5])	C[6,6](C[6,6]O[6]S[6]H)(S[6]C[5,6])(O[6]C[6])(H)	C[5,6](C[5,6]S[5]S[6])(S[6]C[6,6])(S[5]C[5])	S[6](C[6,6]C[6,6]O[6]H)(C[5,6]C[5,6]S[5]){1|C<3>,1|C<4>,1|H<1>,1|O<2>,2|S<2>}	C[6,6](C[6,6]O[6]S[6]H)(S[6]C[5,6])(O[6]C[6])(H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[5,6](C[5,6]S[5]S[6])(S[6]C[6,6])(S[5]C[5]){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	102.1533	4.450	2	101.7277	14.851	4	101.7277	14.851	4	101.7277	14.851	4	101.3583	9.248	6	101.1709	4.271	997
286	466	818	6:SP2_SP2_SP3	S[6]	C[6,6]	C[5,6]	4:3:	4:2:2:1:	3:2:2:	C[6,6]-4:C[5,6]-3:	C[6,6]-4:S[6]-2:O[6]-2:H-1:	C[5,6]-3:S[6]-2:S[5]-2:	S[6](C[6,6]C[6,6]O[6]H)(C[5,6]C[5,6]S[5])	C[6,6](C[6,6]O[6]S[6]H)(S[6]C[5,6])(O[6]C[6])(H)	C[5,6](C[5,6]S[5]S[6])(S[6]C[6,6])(S[5]C[5])	S[6](C[6,6]C[6,6]O[6]H)(C[5,6]C[5,6]S[5]){1|C<3>,1|C<4>,1|H<1>,1|O<2>,2|S<2>}	C[6,6](C[6,6]O[6]S[6]H)(S[6]C[5,6])(O[6]C[6])(H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[5,6](C[5,6]S[5]S[6])(S[6]C[6,6])(S[5]C[5]){1|C<4>,1|H<1>,1|O<2>,1|S<1>}	101.3021	4.902	2	101.7277	14.851	4	101.7277	14.851	4	101.7277	14.851	4	101.3583	9.248	6	101.1709	4.271	997
286	466	818	6:SP2_SP2_SP3	S[6]	C[6,6]	C[5,6]	4:3:	4:4:2:1:	3:2:2:	C[6,6]-4:C[5,6]-3:	C[3,6]-4:C[6,6]-4:S[6]-2:H-1:	C[5,6]-3:S[6]-2:S[5]-2:	S[6](C[6,6]C[3,6]C[6,6]H)(C[5,6]C[5,6]S[5])	C[6,6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6]S[6]C)(S[6]C[5,6])(H)	C[5,6](C[5,6]S[5]S[6])(S[6]C[6,6])(S[5]C[5])	S[6](C[6,6]C[3,6]C[6,6]H)(C[5,6]C[5,6]S[5]){1|C<3>,1|H<1>,2|S<2>,4|C<4>}	C[6,6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6]S[6]C)(S[6]C[5,6])(H){1|C<3>,1|S<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]S[5]S[6])(S[6]C[6,6])(S[5]C[5]){1|H<1>,1|S<1>,2|C<4>}	100.7810	0.000	1	100.7810	0.000	1	100.7810	0.000	1	100.7810	0.000	1	101.3583	9.248	6	101.1709	4.271	997
286	466	818	6:SP2_SP2_SP3	S[6]	C[6,6]	C[5,6]	4:3:	4:4:2:4:	3:2:2:	C[6,6]-4:C[5,6]-3:	C[6,6]-4:C[6]-4:S[6]-2:C-4:	C[5,6]-3:S[6]-2:S[5]-2:	S[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]S[5])	C[6,6](C[6,6]C[3,6]S[6]H)(C[6]C[6]HH)(S[6]C[5,6])(CH3)	C[5,6](C[5,6]S[5]S[6])(S[6]C[6,6])(S[5]C[5])	S[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]S[5]){1|C<3>,2|C<4>,2|S<2>,3|H<1>}	C[6,6](C[6,6]C[3,6]S[6]H)(C[6]C[6]HH)(S[6]C[5,6])(CH3){1|C<3>,1|S<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]S[5]S[6])(S[6]C[6,6])(S[5]C[5]){1|S<1>,3|C<4>}	100.4580	0.000	1	100.4580	0.000	1	100.4580	0.000	1	100.4580	0.000	1	101.3583	9.248	6	101.1709	4.271	997
286	466	818	6:SP2_SP2_SP3	S[6]	C[6]	C[5,6]	3:4:	2:3:1:1:	3:2:2:	C[5,6]-3:C[6]-4:	S[6]-2:C[6]-3:H-1:H-1:	C[5,6]-3:S[5]-2:S[6]-2:	S[6](C[5,6]C[5,6]S[5])(C[6]C[6]HH)	C[6](S[6]C[5,6])(C[6]S[6]C)(H)2	C[5,6](C[5,6]S[5]S[6])(S[5]C[5])(S[6]C[6])	S[6](C[5,6]C[5,6]S[5])(C[6]C[6]HH){2|C<3>,2|S<2>}	C[6](S[6]C[5,6])(C[6]S[6]C)(H)2{1|C<3>,1|S<2>}	C[5,6](C[5,6]S[5]S[6])(S[5]C[5])(S[6]C[6]){2|C<3>,2|H<1>}	96.4072	0.000	1	96.4072	0.000	1	100.5681	22.205	3	100.0876	15.727	4	101.1674	4.255	985	101.1709	4.271	997
286	466	818	6:SP2_SP2_SP3	S[6]	C[6]	C[5,6]	3:4:	2:3:1:1:	3:2:2:	C[5,6]-3:C[6]-4:	S[6]-2:C[6]-3:H-1:H-1:	C[5,6]-3:S[5]-2:S[6]-2:	S[6](C[5,6]C[5,6]S[5])(C[6]C[6]HH)	C[6](S[6]C[5,6])(C[6]S[6]H)(H)2	C[5,6](C[5,6]S[5]S[6])(S[5]C[5])(S[6]C[6])	S[6](C[5,6]C[5,6]S[5])(C[6]C[6]HH){1|C<3>,1|H<1>,2|S<2>}	C[6](S[6]C[5,6])(C[6]S[6]H)(H)2{1|C<3>,1|S<2>}	C[5,6](C[5,6]S[5]S[6])(S[5]C[5])(S[6]C[6]){2|C<3>,2|H<1>}	102.6486	4.294	2	102.6486	18.439	2	100.5681	22.205	3	100.0876	15.727	4	101.1674	4.255	985	101.1709	4.271	997
286	466	818	6:SP2_SP2_SP3	S[6]	C[6]	C[5,6]	3:4:	2:3:1:1:	3:2:2:	C[5,6]-3:C[6]-4:	S[6]-2:C[6]-3:H-1:H-1:	N[5,6]-3:N[5]-2:S[6]-2:	S[6](C[5,6]N[5,6]N[5])(C[6]C[6]HH)	C[6](S[6]C[5,6])(C[6]N[6]C)(H)2	C[5,6](N[5,6]C[5]N[6])(N[5]N[5])(S[6]C[6])	S[6](C[5,6]N[5,6]N[5])(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C[6](S[6]C[5,6])(C[6]N[6]C)(H)2{1|N<2>,1|N<3>}	C[5,6](N[5,6]C[5]N[6])(N[5]N[5])(S[6]C[6]){1|Ru<6>,1|C<3>,3|H<1>}	98.6460	0.000	1	98.6460	0.000	1	98.6460	0.000	1	100.0876	15.727	4	101.1674	4.255	985	101.1709	4.271	997
286	466	818	6:SP2_SP2_SP3	S[6]	C[6]	C[5,6]	3:4:	2:3:1:1:	3:3:2:	C[5,6]-3:C[6]-4:	S[6]-2:C[6]-3:H-1:H-1:	N[5,6]-3:N[5]-3:S[6]-2:	S[6](C[5,6]N[5,6]N[5])(C[6]C[6]HH)	C[6](S[6]C[5,6])(C[6]N[6]C)(H)2	C[5,6](N[5,6]C[5]N[6])(N[5]N[5]Ru)(S[6]C[6])	S[6](C[5,6]N[5,6]N[5])(C[6]C[6]HH){1|Ru<6>,1|C<3>,1|C<4>,2|N<2>}	C[6](S[6]C[5,6])(C[6]N[6]C)(H)2{2|N<3>}	C[5,6](N[5,6]C[5]N[6])(N[5]N[5]Ru)(S[6]C[6]){1|C<3>,1|C<4>,2|H<1>}	92.8904	0.000	1	92.8904	0.000	1	92.8904	0.000	1	92.8904	0.000	1	101.1674	4.255	985	101.1709	4.271	997
286	466	818	6:SP2_SP2_SP3	S[6]	C[6]	C[5,6]	3:4:	2:3:4:1:	3:2:2:	C[5,6]-3:C[6]-4:	S[6]-2:C[6]-3:C-4:H-1:	C[5,6]-3:S[5]-2:S[6]-2:	S[6](C[5,6]C[5,6]S[5])(C[6]C[6]CH)	C[6](S[6]C[5,6])(C[6]S[6]H)(CH3)(H)	C[5,6](C[5,6]S[5]S[6])(S[5]C[5])(S[6]C[6])	S[6](C[5,6]C[5,6]S[5])(C[6]C[6]CH){1|C<3>,1|H<1>,2|S<2>}	C[6](S[6]C[5,6])(C[6]S[6]H)(CH3)(H){1|C<3>,1|S<2>}	C[5,6](C[5,6]S[5]S[6])(S[5]C[5])(S[6]C[6]){1|C<4>,1|H<1>,2|C<3>}	100.3650	0.000	1	100.3650	0.000	1	100.3650	0.000	1	100.3650	0.000	1	101.1674	4.255	985	101.1709	4.271	997
286	466	818	6:SP2_SP2_SP3	S[6]	C[6]	C[5,6]	3:4:	3:4:2:1:	3:2:2:	C[5,6]-3:C[6]-4:	C[6a]-3:C[6]-4:S[6]-2:H-1:	C[5,6]-3:S[5]-2:S[6]-2:	S[6](C[5,6]C[5,6]S[5])(C[6]C[6a]C[6]H)	C[6](C[6a]C[6a]2)(C[6]S[6]HH)(S[6]C[5,6])(H)	C[5,6](C[5,6]S[5]S[6])(S[5]C[5])(S[6]C[6])	S[6](C[5,6]C[5,6]S[5])(C[6]C[6a]C[6]H){2|H<1>,2|S<2>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]S[6]HH)(S[6]C[5,6])(H){1|S<2>,2|H<1>,3|C<3>}	C[5,6](C[5,6]S[5]S[6])(S[5]C[5])(S[6]C[6]){1|C<4>,1|H<1>,2|C<3>}	98.2267	0.000	1	98.2267	0.000	1	98.2267	0.000	1	98.2267	0.000	1	101.1674	4.255	985	101.1709	4.271	997
286	466	818	6:SP2_SP2_SP3	S[6]	C[6]	C[5,6]	3:4:	4:2:1:1:	3:2:2:	C[5,6]-3:C[6]-4:	C[3x6]-4:S[6]-2:H-1:H-1:	C[5,6]-3:S[5]-2:S[6]-2:	S[6](C[5,6]C[5,6]S[5])(C[6]C[3x6]HH)	C[6](C[3x6]C[4,6,6]C[6,6]S[6])(S[6]C[5,6])(H)2	C[5,6](C[5,6]S[5]S[6])(S[5]C[5])(S[6]C[6])	S[6](C[5,6]C[5,6]S[5])(C[6]C[3x6]HH){1|C<3>,2|C<4>,2|S<2>}	C[6](C[3x6]C[4,6,6]C[6,6]S[6])(S[6]C[5,6])(H)2{1|C<3>,1|S<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]S[5]S[6])(S[5]C[5])(S[6]C[6]){1|C<4>,1|S<1>,2|H<1>}	99.4941	0.620	2	99.4941	0.384	2	99.4941	0.384	2	100.9210	3.750	771	101.1674	4.255	985	101.1709	4.271	997
286	466	818	6:SP2_SP2_SP3	S[6]	C[6]	C[5,6]	3:4:	4:2:1:1:	3:2:2:	C[5,6]-3:C[6]-4:	C[6]-4:S[6]-2:H-1:H-1:	C[5,6]-3:S[5]-2:S[6]-2:	S[6](C[5,6]C[5,6]S[5])(C[6]C[6]HH)	C[6](C[6]C[5]S[6]H)(S[6]C[5,6])(H)2	C[5,6](C[5,6]S[5]S[6])(S[5]C[5])(S[6]C[6])	S[6](C[5,6]C[5,6]S[5])(C[6]C[6]HH){1|H<1>,2|C<3>,2|S<2>}	C[6](C[6]C[5]S[6]H)(S[6]C[5,6])(H)2{1|C<4>,1|S<2>,2|C<3>}	C[5,6](C[5,6]S[5]S[6])(S[5]C[5])(S[6]C[6]){1|C<3>,1|C<4>,2|H<1>}	104.6650	0.000	1	104.6650	0.000	1	100.9011	3.580	725	100.9210	3.750	771	101.1674	4.255	985	101.1709	4.271	997
286	466	818	6:SP2_SP2_SP3	S[6]	C[6]	C[5,6]	3:4:	4:2:1:1:	3:2:2:	C[5,6]-3:C[6]-4:	C[6]-4:S[6]-2:H-1:H-1:	C[5,6]-3:S[5]-2:S[6]-2:	S[6](C[5,6]C[5,6]S[5])(C[6]C[6]HH)	C[6](C[6]C[6a]S[6]H)(S[6]C[5,6])(H)2	C[5,6](C[5,6]S[5]S[6])(S[5]C[5])(S[6]C[6])	S[6](C[5,6]C[5,6]S[5])(C[6]C[6]HH){1|H<1>,2|C<3>,2|S<2>}	C[6](C[6]C[6a]S[6]H)(S[6]C[5,6])(H)2{1|S<2>,3|C<3>}	C[5,6](C[5,6]S[5]S[6])(S[5]C[5])(S[6]C[6]){1|C<3>,1|C<4>,2|H<1>}	102.8580	0.000	1	102.8580	0.000	1	100.9011	3.580	725	100.9210	3.750	771	101.1674	4.255	985	101.1709	4.271	997
286	466	818	6:SP2_SP2_SP3	S[6]	C[6]	C[5,6]	3:4:	4:2:1:1:	3:2:2:	C[5,6]-3:C[6]-4:	C[6]-4:S[6]-2:H-1:H-1:	C[5,6]-3:S[5]-2:S[6]-2:	S[6](C[5,6]C[5,6]S[5])(C[6]C[6]HH)	C[6](C[6]S[6]CH)(S[6]C[5,6])(H)2	C[5,6](C[5,6]S[5]S[6])(S[5]C[5])(S[6]C[6])	S[6](C[5,6]C[5,6]S[5])(C[6]C[6]HH){1|C<3>,1|C<4>,1|H<1>,2|S<2>}	C[6](C[6]S[6]CH)(S[6]C[5,6])(H)2{1|C<3>,1|S<2>}	C[5,6](C[5,6]S[5]S[6])(S[5]C[5])(S[6]C[6]){1|C<3>,1|C<4>,2|H<1>}	100.2792	2.329	11	100.2792	5.423	11	100.9011	3.580	725	100.9210	3.750	771	101.1674	4.255	985	101.1709	4.271	997
286	466	818	6:SP2_SP2_SP3	S[6]	C[6]	C[5,6]	3:4:	4:2:1:1:	3:2:2:	C[5,6]-3:C[6]-4:	C[6]-4:S[6]-2:H-1:H-1:	C[5,6]-3:S[5]-2:S[6]-2:	S[6](C[5,6]C[5,6]S[5])(C[6]C[6]HH)	C[6](C[6]S[6]HH)(S[6]C[5,6])(H)2	C[5,6](C[5,6]S[5]S[6])(S[5]C[5])(S[6]C[6])	S[6](C[5,6]C[5,6]S[5])(C[6]C[6]HH){1|C<3>,1|S<2>,1|S<3>,2|H<1>}	C[6](C[6]S[6]HH)(S[6]C[5,6])(H)2{1|Cu<4>,1|C<3>,1|S<2>}	C[5,6](C[5,6]S[5]S[6])(S[5]C[5])(S[6]C[6]){1|Cu<4>,1|C<3>,1|C<4>,2|H<1>}	101.6660	0.000	1	100.9027	3.538	712	100.9011	3.580	725	100.9210	3.750	771	101.1674	4.255	985	101.1709	4.271	997
286	466	818	6:SP2_SP2_SP3	S[6]	C[6]	C[5,6]	3:4:	4:2:1:1:	3:2:2:	C[5,6]-3:C[6]-4:	C[6]-4:S[6]-2:H-1:H-1:	C[5,6]-3:S[5]-2:S[6]-2:	S[6](C[5,6]C[5,6]S[5])(C[6]C[6]HH)	C[6](C[6]S[6]HH)(S[6]C[5,6])(H)2	C[5,6](C[5,6]S[5]S[6])(S[5]C[5])(S[6]C[6])	S[6](C[5,6]C[5,6]S[5])(C[6]C[6]HH){1|C<3>,2|H<1>,2|S<2>}	C[6](C[6]S[6]HH)(S[6]C[5,6])(H)2{1|C<3>,1|S<2>}	C[5,6](C[5,6]S[5]S[6])(S[5]C[5])(S[6]C[6]){1|C<3>,1|C<4>,2|H<1>}	100.9046	1.872	705	100.9027	3.538	712	100.9011	3.580	725	100.9210	3.750	771	101.1674	4.255	985	101.1709	4.271	997
286	466	818	6:SP2_SP2_SP3	S[6]	C[6]	C[5,6]	3:4:	4:2:1:1:	3:2:2:	C[5,6]-3:C[6]-4:	C[6]-4:S[6]-2:H-1:H-1:	C[5,6]-3:S[5]-2:S[6]-2:	S[6](C[5,6]C[5,6]S[5])(C[6]C[6]HH)	C[6](C[6]S[6]HH)(S[6]C[5,6])(H)2	C[5,6](C[5,6]S[5]S[6])(S[5]C[5])(S[6]C[6])	S[6](C[5,6]C[5,6]S[5])(C[6]C[6]HH){1|C<4>,2|H<1>,2|S<2>}	C[6](C[6]S[6]HH)(S[6]C[5,6])(H)2{1|C<3>,1|S<2>}	C[5,6](C[5,6]S[5]S[6])(S[5]C[5])(S[6]C[6]){1|C<4>,1|P<4>,3|H<1>}	100.5466	3.094	6	100.9027	3.538	712	100.9011	3.580	725	100.9210	3.750	771	101.1674	4.255	985	101.1709	4.271	997
286	466	818	6:SP2_SP2_SP3	S[6]	C[6]	C[5,6]	3:4:	4:2:1:1:	3:2:2:	C[5,6]-3:C[6]-4:	C[6]-4:S[6]-2:H-1:H-1:	C[5,6]-3:Se[5]-2:S[6]-2:	S[6](C[5,6]C[5,6]Se[5])(C[6]C[6]HH)	C[6](C[6]S[6]HH)(S[6]C[5,6])(H)2	C[5,6](C[5,6]Se[5]S[6])(Se[5]C[5])(S[6]C[6])	S[6](C[5,6]C[5,6]Se[5])(C[6]C[6]HH){1|Se<2>,1|C<3>,1|S<2>,2|H<1>}	C[6](C[6]S[6]HH)(S[6]C[5,6])(H)2{1|Se<2>,1|C<3>}	C[5,6](C[5,6]Se[5]S[6])(Se[5]C[5])(S[6]C[6]){1|C<3>,1|C<4>,2|H<1>}	101.3140	2.570	44	101.3140	6.605	44	101.3140	6.605	44	100.9210	3.750	771	101.1674	4.255	985	101.1709	4.271	997
286	466	818	6:SP2_SP2_SP3	S[6]	C[6]	C[5,6]	3:4:	4:2:1:1:	3:3:2:	C[5,6]-3:C[6]-4:	C[6]-4:S[6]-2:H-1:H-1:	C[5,6]-3:C[5]-3:S[6]-2:	S[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)	C[6](C[6]S[6]HH)(S[6]C[5,6])(H)2	C[5,6](C[5,6]C[5]S[6])(C[5]S[5]O)(S[6]C[6])	S[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH){1|C<3>,1|O<1>,2|H<1>,2|S<2>}	C[6](C[6]S[6]HH)(S[6]C[5,6])(H)2{2|C<3>}	C[5,6](C[5,6]C[5]S[6])(C[5]S[5]O)(S[6]C[6]){1|C<4>,1|O<1>,2|H<1>}	100.2355	0.317	2	100.2355	0.101	2	100.2355	0.101	2	98.8077	0.894	8	101.1674	4.255	985	101.1709	4.271	997
286	466	818	6:SP2_SP2_SP3	S[6]	C[6]	C[5,6]	3:4:	4:2:1:1:	3:3:2:	C[5,6]-3:C[6]-4:	C[6]-4:S[6]-2:H-1:H-1:	N[5,6]-3:N[5]-3:S[6]-2:	S[6](C[5,6]N[5,6]N[5])(C[6]C[6]HH)	C[6](C[6]C[6]HH)(S[6]C[5,6])(H)2	C[5,6](N[5,6]C[5]C[6])(N[5]N[5]C)(S[6]C[6])	S[6](C[5,6]N[5,6]N[5])(C[6]C[6]HH){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(S[6]C[5,6])(H)2{2|H<1>,2|N<3>}	C[5,6](N[5,6]C[5]C[6])(N[5]N[5]C)(S[6]C[6]){1|C<4>,5|H<1>}	98.8698	0.000	1	98.8698	0.000	1	98.3318	0.144	6	98.8077	0.894	8	101.1674	4.255	985	101.1709	4.271	997
286	466	818	6:SP2_SP2_SP3	S[6]	C[6]	C[5,6]	3:4:	4:2:1:1:	3:3:2:	C[5,6]-3:C[6]-4:	C[6]-4:S[6]-2:H-1:H-1:	N[5,6]-3:N[5]-3:S[6]-2:	S[6](C[5,6]N[5,6]N[5])(C[6]C[6]HH)	C[6](C[6]C[6]HO)(S[6]C[5,6])(H)2	C[5,6](N[5,6]C[5]C[6])(N[5]C[5]C)(S[6]C[6])	S[6](C[5,6]N[5,6]N[5])(C[6]C[6]HH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6]HO)(S[6]C[5,6])(H)2{2|H<1>,2|N<3>}	C[5,6](N[5,6]C[5]C[6])(N[5]C[5]C)(S[6]C[6]){1|C<4>,6|H<1>}	98.3554	0.202	3	98.3554	0.041	3	98.3318	0.144	6	98.8077	0.894	8	101.1674	4.255	985	101.1709	4.271	997
286	466	818	6:SP2_SP2_SP3	S[6]	C[6]	C[5,6]	3:4:	4:2:1:1:	3:3:2:	C[5,6]-3:C[6]-4:	C[6]-4:S[6]-2:H-1:H-1:	N[5,6]-3:N[5]-3:S[6]-2:	S[6](C[5,6]N[5,6]N[5])(C[6]C[6]HH)	C[6](C[6]C[6]HO)(S[6]C[5,6])(H)2	C[5,6](N[5,6]C[6]N[5])(N[5]C[5]C)(S[6]C[6])	S[6](C[5,6]N[5,6]N[5])(C[6]C[6]HH){1|C<3>,1|H<1>,1|N<2>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HO)(S[6]C[5,6])(H)2{2|H<1>,2|N<3>}	C[5,6](N[5,6]C[6]N[5])(N[5]C[5]C)(S[6]C[6]){1|C<4>,5|H<1>}	97.7408	0.000	1	97.7408	0.000	1	98.3318	0.144	6	98.8077	0.894	8	101.1674	4.255	985	101.1709	4.271	997
286	466	818	6:SP2_SP2_SP3	S[6]	C[6]	C[5,6]	3:4:	4:2:1:1:	3:3:2:	C[5,6]-3:C[6]-4:	C[6]-4:S[6]-2:H-1:H-1:	N[5,6]-3:N[5]-3:S[6]-2:	S[6](C[5,6]N[5,6]N[5])(C[6]C[6]HH)	C[6](C[6]C[6]HO)(S[6]C[5,6])(H)2	C[5,6](N[5,6]C[6]N[5])(N[5]N[5]C)(S[6]C[6])	S[6](C[5,6]N[5,6]N[5])(C[6]C[6]HH){1|H<1>,1|O<2>,2|C<4>,2|N<2>}	C[6](C[6]C[6]HO)(S[6]C[5,6])(H)2{2|H<1>,2|N<3>}	C[5,6](N[5,6]C[6]N[5])(N[5]N[5]C)(S[6]C[6]){1|C<4>,4|H<1>}	98.3140	0.000	1	98.3140	0.000	1	98.3318	0.144	6	98.8077	0.894	8	101.1674	4.255	985	101.1709	4.271	997
286	466	818	6:SP2_SP2_SP3	S[6]	C[6]	C[5,6]	3:4:	4:2:3:1:	3:2:2:	C[5,6]-3:C[6]-4:	C[6]-4:S[6]-2:C[5]-3:H-1:	C[5,6]-3:S[5]-2:S[6]-2:	S[6](C[5,6]C[5,6]S[5])(C[6]C[5]C[6]H)	C[6](C[6]S[6]HH)(S[6]C[5,6])(C[5]C[5]2)(H)	C[5,6](C[5,6]S[5]S[6])(S[5]C[5])(S[6]C[6])	S[6](C[5,6]C[5,6]S[5])(C[6]C[5]C[6]H){1|C<4>,2|C<3>,2|H<1>,2|S<2>}	C[6](C[6]S[6]HH)(S[6]C[5,6])(C[5]C[5]2)(H){1|C<3>,1|H<1>,1|N<3>,1|S<2>,3|C<4>}	C[5,6](C[5,6]S[5]S[6])(S[5]C[5])(S[6]C[6]){1|C<4>,1|H<1>,2|C<3>}	98.4728	0.000	1	98.4728	0.000	1	98.4728	0.000	1	98.4728	0.000	1	101.1674	4.255	985	101.1709	4.271	997
286	466	818	6:SP2_SP2_SP3	S[6]	C[6]	C[5,6]	3:4:	4:2:4:1:	3:2:2:	C[5,6]-3:C[6]-4:	C[6]-4:S[6]-2:C-4:H-1:	C[5,6]-3:S[5]-2:S[6]-2:	S[6](C[5,6]C[5,6]S[5])(C[6]C[6]CH)	C[6](C[6]S[6]CH)(S[6]C[5,6])(CCHH)(H)	C[5,6](C[5,6]S[5]S[6])(S[5]C[5])(S[6]C[6])	S[6](C[5,6]C[5,6]S[5])(C[6]C[6]CH){1|C<3>,1|C<4>,1|H<1>,2|S<2>}	C[6](C[6]S[6]CH)(S[6]C[5,6])(CCHH)(H){1|C<3>,1|S<2>}	C[5,6](C[5,6]S[5]S[6])(S[5]C[5])(S[6]C[6]){1|C<3>,1|H<1>,2|C<4>}	101.0265	0.646	4	101.0265	0.417	4	102.3288	4.075	197	102.3288	4.075	197	101.1674	4.255	985	101.1709	4.271	997
286	466	818	6:SP2_SP2_SP3	S[6]	C[6]	C[5,6]	3:4:	4:2:4:1:	3:2:2:	C[5,6]-3:C[6]-4:	C[6]-4:S[6]-2:C-4:H-1:	C[5,6]-3:S[5]-2:S[6]-2:	S[6](C[5,6]C[5,6]S[5])(C[6]C[6]CH)	C[6](C[6]S[6]CH)(S[6]C[5,6])(CH3)(H)	C[5,6](C[5,6]S[5]S[6])(S[5]C[5])(S[6]C[6])	S[6](C[5,6]C[5,6]S[5])(C[6]C[6]CH){1|C<3>,1|C<4>,1|H<1>,2|S<2>}	C[6](C[6]S[6]CH)(S[6]C[5,6])(CH3)(H){1|C<3>,1|S<2>}	C[5,6](C[5,6]S[5]S[6])(S[5]C[5])(S[6]C[6]){1|C<3>,1|H<1>,2|C<4>}	102.4195	2.018	178	102.4195	4.074	178	102.3288	4.075	197	102.3288	4.075	197	101.1674	4.255	985	101.1709	4.271	997
286	466	818	6:SP2_SP2_SP3	S[6]	C[6]	C[5,6]	3:4:	4:2:4:1:	3:2:2:	C[5,6]-3:C[6]-4:	C[6]-4:S[6]-2:C-4:H-1:	C[5,6]-3:S[5]-2:S[6]-2:	S[6](C[5,6]C[5,6]S[5])(C[6]C[6]CH)	C[6](C[6]S[6]CH)(S[6]C[5,6])(CHHO)(H)	C[5,6](C[5,6]S[5]S[6])(S[5]C[5])(S[6]C[6])	S[6](C[5,6]C[5,6]S[5])(C[6]C[6]CH){1|C<3>,1|C<4>,1|H<1>,2|S<2>}	C[6](C[6]S[6]CH)(S[6]C[5,6])(CHHO)(H){1|C<3>,1|S<2>}	C[5,6](C[5,6]S[5]S[6])(S[5]C[5])(S[6]C[6]){1|C<3>,1|H<1>,2|C<4>}	100.1889	0.180	4	100.1889	0.033	4	102.3288	4.075	197	102.3288	4.075	197	101.1674	4.255	985	101.1709	4.271	997
286	466	818	6:SP2_SP2_SP3	S[6]	C[6]	C[5,6]	3:4:	4:2:4:1:	3:2:2:	C[5,6]-3:C[6]-4:	C[6]-4:S[6]-2:C-4:H-1:	C[5,6]-3:S[5]-2:S[6]-2:	S[6](C[5,6]C[5,6]S[5])(C[6]C[6]CH)	C[6](C[6]S[6]HH)(S[6]C[5,6])(CCHH)(H)	C[5,6](C[5,6]S[5]S[6])(S[5]C[5])(S[6]C[6])	S[6](C[5,6]C[5,6]S[5])(C[6]C[6]CH){1|C<3>,2|H<1>,2|S<2>}	C[6](C[6]S[6]HH)(S[6]C[5,6])(CCHH)(H){1|C<3>,1|S<2>}	C[5,6](C[5,6]S[5]S[6])(S[5]C[5])(S[6]C[6]){1|C<3>,1|H<1>,2|C<4>}	102.0376	2.218	8	102.0376	4.921	8	102.3288	4.075	197	102.3288	4.075	197	101.1674	4.255	985	101.1709	4.271	997
286	466	818	6:SP2_SP2_SP3	S[6]	C[6]	C[5,6]	3:4:	4:2:4:1:	3:2:2:	C[5,6]-3:C[6]-4:	C[6]-4:S[6]-2:C-4:H-1:	C[5,6]-3:S[5]-2:S[6]-2:	S[6](C[5,6]C[5,6]S[5])(C[6]C[6]CH)	C[6](C[6]S[6]HH)(S[6]C[5,6])(CH3)(H)	C[5,6](C[5,6]S[5]S[6])(S[5]C[5])(S[6]C[6])	S[6](C[5,6]C[5,6]S[5])(C[6]C[6]CH){1|C<3>,2|H<1>,2|S<2>}	C[6](C[6]S[6]HH)(S[6]C[5,6])(CH3)(H){1|C<3>,1|S<2>}	C[5,6](C[5,6]S[5]S[6])(S[5]C[5])(S[6]C[6]){1|C<3>,1|H<1>,2|C<4>}	99.1950	0.000	1	99.1950	0.000	1	102.3288	4.075	197	102.3288	4.075	197	101.1674	4.255	985	101.1709	4.271	997
286	466	818	6:SP2_SP2_SP3	S[6]	C[6]	C[5,6]	3:4:	4:2:4:1:	3:2:2:	C[5,6]-3:C[6]-4:	C[6]-4:S[6]-2:C-4:H-1:	C[5,6]-3:S[5]-2:S[6]-2:	S[6](C[5,6]C[5,6]S[5])(C[6]C[6]CH)	C[6](C[6]S[6]HH)(S[6]C[5,6])(CHHO)(H)	C[5,6](C[5,6]S[5]S[6])(S[5]C[5])(S[6]C[6])	S[6](C[5,6]C[5,6]S[5])(C[6]C[6]CH){1|C<3>,2|H<1>,2|S<2>}	C[6](C[6]S[6]HH)(S[6]C[5,6])(CHHO)(H){1|C<3>,1|S<2>}	C[5,6](C[5,6]S[5]S[6])(S[5]C[5])(S[6]C[6]){1|C<3>,1|H<1>,2|C<4>}	103.8360	0.000	1	103.8360	0.000	1	102.3288	4.075	197	102.3288	4.075	197	101.1674	4.255	985	101.1709	4.271	997
286	466	818	6:SP2_SP2_SP3	S[6]	C[6]	C[5,6]	3:4:	4:2:4:1:	3:2:2:	C[5,6]-3:C[6]-4:	C[6]-4:S[6]-2:C-4:H-1:	C[5,6]-3:S[5]-2:S[6]-2:	S[6](C[5,6]C[5,6]S[5])(C[6]C[6]CH)	C[6](C[6]S[6]HH)(S[6]C[5,6])(CHHS)(H)	C[5,6](C[5,6]S[5]S[6])(S[5]C[5])(S[6]C[6])	S[6](C[5,6]C[5,6]S[5])(C[6]C[6]CH){1|C<3>,2|H<1>,2|S<2>}	C[6](C[6]S[6]HH)(S[6]C[5,6])(CHHS)(H){1|C<3>,1|S<2>}	C[5,6](C[5,6]S[5]S[6])(S[5]C[5])(S[6]C[6]){1|C<3>,1|H<1>,2|C<4>}	103.9030	0.000	1	103.9030	0.000	1	102.3288	4.075	197	102.3288	4.075	197	101.1674	4.255	985	101.1709	4.271	997
286	466	818	6:SP2_SP2_SP3	S[6]	C[6]	C[5,6]	3:4:	4:4:2:1:	3:2:2:	C[5,6]-3:C[6]-4:	C[6]-4:C[5]-4:S[6]-2:H-1:	C[5,6]-3:S[5]-2:S[6]-2:	S[6](C[5,6]C[5,6]S[5])(C[6]C[5]C[6]H)	C[6](C[6]C[5]S[6]H)(C[5]C[5]2Fe)(S[6]C[5,6])(H)	C[5,6](C[5,6]S[5]S[6])(S[5]C[5])(S[6]C[6])	S[6](C[5,6]C[5,6]S[5])(C[6]C[5]C[6]H){1|Fe<10>,1|C<3>,1|H<1>,2|S<2>,3|C<4>}	C[6](C[6]C[5]S[6]H)(C[5]C[5]2Fe)(S[6]C[5,6])(H){1|Fe<10>,1|C<3>,1|S<2>,2|H<1>,4|C<4>}	C[5,6](C[5,6]S[5]S[6])(S[5]C[5])(S[6]C[6]){1|H<1>,1|S<1>,2|C<4>}	100.2550	0.000	1	100.2550	0.000	1	100.2550	0.000	1	100.2550	0.000	1	101.1674	4.255	985	101.1709	4.271	997
286	466	849	6:SP3_SP3_SP3	S[6]	C[6]	P[6]	4:4:	3:2:1:1:	3:2:2:1:	P[6]-4:C[6]-4:	C[6,6a]-3:S[6]-2:H-1:H-1:	C[6a]-3:O[6]-2:S[6]-2:S-1:	S[6](P[6]C[6a]O[6]S)(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]P[6])(H)2	P[6](C[6a]C[6a]2)(O[6]C[6,6a])(S[6]C[6])(S)	S[6](P[6]C[6a]O[6]S)(C[6]C[6,6a]HH){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(S[6]P[6])(H)2{1|H<1>,1|O<2>,1|S<1>,3|C<3>}	P[6](C[6a]C[6a]2)(O[6]C[6,6a])(S[6]C[6])(S){4|C<3>,4|H<1>}	96.9588	1.643	2	96.9588	2.699	2	96.9588	2.699	2	96.9588	2.699	2	99.7693	5.326	6	99.7693	5.326	6
286	466	849	6:SP3_SP3_SP3	S[6]	C[6]	P[6]	4:4:	4:2:1:1:	2:2:2:1:	P[6]-4:C[6]-4:	C[6]-4:S[6]-2:H-1:H-1:	S[6]-2:S[6]-2:Se-2:O-1:	S[6](P[6]S[6]SeO)(C[6]C[6]HH)	C[6](C[6]C[6]HH)(S[6]P[6])(H)2	P[6](S[6]C[6])2(SeC[6a])(O)	S[6](P[6]S[6]SeO)(C[6]C[6]HH){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(S[6]P[6])(H)2{1|Se<2>,1|O<1>,1|S<2>,2|H<1>}	P[6](S[6]C[6])2(SeC[6a])(O){1|C<4>,4|H<1>}	101.1865	0.244	2	101.1865	0.060	2	101.1865	0.060	2	101.1745	0.078	4	99.7693	5.326	6	99.7693	5.326	6
286	466	849	6:SP3_SP3_SP3	S[6]	C[6]	P[6]	4:4:	4:2:1:1:	2:2:2:1:	P[6]-4:C[6]-4:	C[6]-4:S[6]-2:H-1:H-1:	S[6]-2:S[6]-2:Se-2:S-1:	S[6](P[6]S[6]SeS)(C[6]C[6]HH)	C[6](C[6]C[6]HH)(S[6]P[6])(H)2	P[6](S[6]C[6])2(SeC[6a])(S)	S[6](P[6]S[6]SeS)(C[6]C[6]HH){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(S[6]P[6])(H)2{1|Se<2>,1|S<1>,1|S<2>,2|H<1>}	P[6](S[6]C[6])2(SeC[6a])(S){1|C<4>,4|H<1>}	101.1625	0.418	2	101.1625	0.175	2	101.1625	0.175	2	101.1745	0.078	4	99.7693	5.326	6	99.7693	5.326	6
286	466	874	6:SP3_SP3_SP3	S[6]	C[6]	B[6]	4:4:	3:2:1:1:	3:2:3:1:	B[6]-4:C[6]-4:	S[6]-3:S[6]-2:H-1:H-1:	S[6]-3:S[6]-2:S-3:H-1:	S[6](B[6]S[6]HS)(C[6]S[6]HH)	C[6](S[6]C[6]Ru)(S[6]B[6])(H)2	B[6](S[6]C[6]Ru)(S[6]C[6])(SRu2)(H)	S[6](B[6]S[6]HS)(C[6]S[6]HH){2|Ru<8>,1|C<4>}	C[6](S[6]C[6]Ru)(S[6]B[6])(H)2{2|S<3>,3|H<1>}	B[6](S[6]C[6]Ru)(S[6]C[6])(SRu2)(H){1|S<3>,4|H<1>}	103.3510	0.000	1	103.3510	0.000	1	103.3510	0.000	1	103.3510	0.000	1	103.7970	0.398	2	103.7970	0.398	2
286	466	874	6:SP3_SP3_SP3	S[6]	C[6]	B[6]	4:4:	3:2:1:1:	3:2:3:2:	B[6]-4:C[6]-4:	S[6]-3:S[6]-2:H-1:H-1:	S[6]-3:S[6]-2:S-3:S-2:	S[6](B[6]S[6]SS)(C[6]S[6]HH)	C[6](S[6]C[6]Ru)(S[6]B[6])(H)2	B[6](S[6]C[6]Ru)(S[6]C[6])(SRu2)(SC)	S[6](B[6]S[6]SS)(C[6]S[6]HH){2|Ru<8>,1|C<4>}	C[6](S[6]C[6]Ru)(S[6]B[6])(H)2{1|S<2>,2|H<1>,2|S<3>}	B[6](S[6]C[6]Ru)(S[6]C[6])(SRu2)(SC){1|S<3>,4|H<1>}	104.2430	0.000	1	104.2430	0.000	1	104.2430	0.000	1	104.2430	0.000	1	103.7970	0.398	2	103.7970	0.398	2
286	466	922	6:SP3_SP3_SP3	S[6]	C[6]	S[6]	4:3:	3:2:1:1:	4:2:1:	C[6]-4:S[6]-3:	C[6,6a]-3:S[6]-2:H-1:H-1:	C[6]-4:S[6]-2:O-1:	S[6](C[6]C[6,6a]HH)(S[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]S[6])(H)2	S[6](C[6]C[6,6a]HH)(S[6]C[6])(O)	S[6](C[6]C[6,6a]HH)(S[6]C[6]O){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(S[6]S[6])(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	S[6](C[6]C[6,6a]HH)(S[6]C[6])(O){2|C<3>,2|H<1>}	105.0110	0.000	1	105.0110	0.000	1	105.0110	0.000	1	105.0110	0.000	1	105.0110	0.000	1	105.0110	0.000	1
286	474	474	6:SP3_SP3_SP3	S[6]	C[5,6,6]	C[5,6]	4:4:	4:4:2:1:	2:3:2:2:	C[5,6,6]-4:C[5,6]-4:	C[5,5,6]-4:C[5,6,6]-4:S[6]-2:H-1:	S[6]-2:C[6]-3:S[5]-2:S[5]-2:	S[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[6]S[5]2)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]S[6]H)(S[6]C[5,6])(H)	C[5,6](S[6]C[5,6,6])(C[6]S[6]O)(S[5]C[5])2	S[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[6]S[5]2){1|O<1>,1|S<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]S[6]H)(S[6]C[5,6])(H){1|C<3>,1|C<4>,2|S<2>,5|H<1>}	C[5,6](S[6]C[5,6,6])(C[6]S[6]O)(S[5]C[5])2{1|H<1>,2|C<3>,2|C<4>}	99.7697	0.000	1	99.7697	0.000	1	99.7697	0.000	1	99.7697	0.000	1	99.7697	0.000	1	99.1489	0.771	2
286	474	474	6:SP3_SP3_SP3	S[6]	C[5,6]	C[5,6]	4:4:	3:3:2:4:	3:3:2:4:	C[5,6]-4:C[5,6]-4:	C[5,6a]-3:C[5,6]-3:S[6]-2:C-4:	C[5,6a]-3:C[5,6]-3:S[6]-2:C-4:	S[6](C[5,6]C[5,6a]C[5,6]C)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6])(S[6]C[5,6])(CH3)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6])(S[6]C[5,6])(CH3)	S[6](C[5,6]C[5,6a]C[5,6]C)2{1|N<3>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6])(S[6]C[5,6])(CH3){1|Ni<4>,1|C<4>,1|H<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6])(S[6]C[5,6])(CH3){1|Ni<4>,1|C<4>,1|H<1>,5|C<3>}	98.5282	0.000	1	98.5282	0.000	1	98.5282	0.000	1	98.5282	0.000	1	98.5282	0.000	1	99.1489	0.771	2
286	474	643	6:SP2_SP2_SP3	S[6]	C[5,6]	C[6,6a]	3:4:	2:2:4:3:	3:2:2:	C[6,6a]-3:C[5,6]-4:	O[5,6]-2:S[6]-2:C[5]-4:C-3:	C[6,6a]-3:O[6a]-2:S[6]-2:	S[6](C[6,6a]C[6,6a]O[6a])(C[5,6]O[5,6]C[5]C)	C[5,6](O[5,6]C[5,6])(S[6]C[6,6a])(C[5]C[5]HO)(COO)	C[6,6a](C[6,6a]C[5,6]C[6a])(O[6a]C[6a,6a])(S[6]C[5,6])	S[6](C[6,6a]C[6,6a]O[6a])(C[5,6]O[5,6]C[5]C){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6](O[5,6]C[5,6])(S[6]C[6,6a])(C[5]C[5]HO)(COO){1|C<3>,1|O<2>,3|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(O[6a]C[6a,6a])(S[6]C[5,6]){1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	95.9370	0.585	2	95.9370	0.343	2	95.9370	0.343	2	95.9370	0.343	2	96.3791	2.642	6	96.3791	2.642	6
286	474	643	6:SP2_SP2_SP3	S[6]	C[5,6]	C[6,6a]	3:4:	3:2:4:1:	3:3:2:	C[6,6a]-3:C[5,6]-4:	N[5,6]-3:S[6]-2:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)	C[5,6](N[5,6]C[5]C[6])(S[6]C[6,6a])(C[5]N[5]CC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[5,6])	S[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H){1|H<1>,1|N<3>,3|C<3>,3|C<4>}	C[5,6](N[5,6]C[5]C[6])(S[6]C[6,6a])(C[5]N[5]CC)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[5,6]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	96.1870	0.000	1	97.6677	4.385	2	97.6677	4.385	2	97.6677	4.385	2	96.3791	2.642	6	96.3791	2.642	6
286	474	643	6:SP2_SP2_SP3	S[6]	C[5,6]	C[6,6a]	3:4:	3:2:4:1:	3:3:2:	C[6,6a]-3:C[5,6]-4:	N[5,6]-3:S[6]-2:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)	C[5,6](N[5,6]C[5]C[6])(S[6]C[6,6a])(C[5]N[5]CC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[5,6])	S[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H){1|H<1>,1|N<3>,3|C<3>,3|C<4>}	C[5,6](N[5,6]C[5]C[6])(S[6]C[6,6a])(C[5]N[5]CC)(H){1|O<1>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[5,6]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	99.1483	0.000	1	97.6677	4.385	2	97.6677	4.385	2	97.6677	4.385	2	96.3791	2.642	6	96.3791	2.642	6
286	474	643	6:SP2_SP2_SP3	S[6]	C[5,6]	C[6,6a]	3:4:	4:2:4:1:	3:3:2:	C[6,6a]-3:C[5,6]-4:	C[5,6]-4:S[6]-2:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)	C[5,6](C[5,6]C[5]N[6]H)(S[6]C[6,6a])(C[5]C[5]HH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[5,6])	S[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H){1|N<3>,2|C<3>,2|C<4>,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>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[5,6]){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	94.2407	0.000	1	94.2407	0.000	1	94.2407	0.000	1	94.2407	0.000	1	96.3791	2.642	6	96.3791	2.642	6
286	474	643	6:SP2_SP2_SP3	S[6]	C[5,6]	C[6,6a]	4:3:	3:4:2:1:	3:3:2:	C[5,6]-4:C[6,6a]-3:	C[5,6a]-3:C[5,6]-4:S[6]-2:H-1:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5]H)(S[6]C[6,6a])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[5,6])	S[6](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5]H)(S[6]C[6,6a])(H){1|O<2>,2|H<1>,2|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[5,6]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	96.8245	0.000	1	96.8245	0.000	1	96.8245	0.000	1	96.8245	0.000	1	96.3791	2.642	6	96.3791	2.642	6
286	474	727	6:SP2_SP2_SP3	S[6]	C[5,6]	C[5a,6]	4:3:	3:2:4:2:	3:3:2:	C[5,6]-4:C[5a,6]-3:	C[5,6a]-3:S[6]-2:C[6]-4:N[5]-2:	C[5a,6]-3:N[5a]-3:S[6]-2:	S[6](C[5,6]C[5,6a]C[6]N[5])(C[5a,6]C[5a,6]N[5a])	C[5,6](C[5,6a]C[5,6a]C[6a])(S[6]C[5a,6])(C[6]C[6]HH)(N[5]S[5])	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(S[6]C[5,6])	S[6](C[5,6]C[5,6a]C[6]N[5])(C[5a,6]C[5a,6]N[5a]){1|S<4>,2|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(S[6]C[5a,6])(C[6]C[6]HH)(N[5]S[5]){1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(S[6]C[5,6]){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	97.6231	0.000	1	97.6231	0.000	1	97.6231	0.000	1	97.6231	0.000	1	98.7972	2.757	2	98.7972	2.757	2
286	474	727	6:SP2_SP2_SP3	S[6]	C[5,6]	C[5a,6]	4:3:	3:4:2:1:	3:3:2:	C[5,6]-4:C[5a,6]-3:	C[5,6a]-3:C[5,6]-4:S[6]-2:H-1:	C[5a,6]-3:N[5a]-3:S[6]-2:	S[6](C[5,6]C[5,6a]C[5,6]H)(C[5a,6]C[5a,6]N[5a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5]H)(S[6]C[5a,6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(S[6]C[5,6])	S[6](C[5,6]C[5,6a]C[5,6]H)(C[5a,6]C[5a,6]N[5a]){1|C<4>,1|H<1>,1|S<4>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5]H)(S[6]C[5a,6])(H){1|N<3>,1|O<2>,2|H<1>,2|O<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(S[6]C[5,6]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	99.9714	0.000	1	99.9714	0.000	1	99.9714	0.000	1	99.9714	0.000	1	98.7972	2.757	2	98.7972	2.757	2
286	474	762	6:SP2_SP2_SP3	S[6]	C[5,6,6]	C[6]	4:3:	4:4:2:1:	4:2:1:	C[5,6,6]-4:C[6]-3:	C[5,5,6]-4:C[5,6,6]-4:S[6]-2:H-1:	C[5,6]-4:S[6]-2:O-1:	S[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[5,6]O)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]S[6]H)(S[6]C[6])(H)	C[6](C[5,6]S[5]2S[6])(S[6]C[5,6,6])(O)	S[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[5,6]O){2|H<1>,3|C<4>,3|S<2>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]S[6]H)(S[6]C[6])(H){1|O<1>,2|C<4>,5|H<1>}	C[6](C[5,6]S[5]2S[6])(S[6]C[5,6,6])(O){1|H<1>,2|C<3>,2|C<4>}	108.6500	0.000	1	108.6500	0.000	1	108.6500	0.000	1	108.6500	0.000	1	108.6500	0.000	1	104.4033	13.627	3
286	474	762	6:SP2_SP2_SP3	S[6]	C[5,6]	C[6]	4:3:	4:2:2:1:	4:2:1:	C[5,6]-4:C[6]-3:	C[5,6]-4:S[5]-2:S[6]-2:Cl-1:	C[6]-4:S[6]-2:Cl-1:	S[6](C[5,6]C[5,6]S[5]Cl)(C[6]C[6]Cl)	C[5,6](C[5,6]S[5]S[6]Cl)(S[5]C[5])(S[6]C[6])(Cl)	C[6](C[6]S[6]Cl2)(S[6]C[5,6])(Cl)	S[6](C[5,6]C[5,6]S[5]Cl)(C[6]C[6]Cl){3|Cl<1>,1|C<3>,2|S<2>}	C[5,6](C[5,6]S[5]S[6]Cl)(S[5]C[5])(S[6]C[6])(Cl){1|Cl<1>,1|C<4>,1|O<1>}	C[6](C[6]S[6]Cl2)(S[6]C[5,6])(Cl){1|Cl<1>,1|C<4>,1|S<2>}	102.5990	0.000	1	102.5990	0.000	1	102.5990	0.000	1	102.5990	0.000	1	102.2800	0.204	2	104.4033	13.627	3
286	474	762	6:SP2_SP2_SP3	S[6]	C[5,6]	C[6]	4:3:	4:4:2:1:	4:2:1:	C[5,6]-4:C[6]-3:	C[5,6]-4:C[5]-4:S[6]-2:H-1:	C[6]-4:S[6]-2:O-1:	S[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(S[6]C[6])(H)	C[6](C[6]C[6]HH)(S[6]C[5,6])(O)	S[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O){1|O<2>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(S[6]C[6])(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6](C[6]C[6]HH)(S[6]C[5,6])(O){2|C<4>,3|H<1>}	101.9610	0.000	1	101.9610	0.000	1	101.9610	0.000	1	101.9610	0.000	1	102.2800	0.204	2	104.4033	13.627	3
286	474	818	6:SP2_SP2_SP3	S[6]	C[5,3x6]	C[5,6]	4:3:	4:4:2:3:	3:2:3:	C[5,3x6]-4:C[5,6]-3:	C[5,3x6]-4:C[3x6]-4:S[6]-2:C[5]-3:	C[5,6]-3:S[6]-2:C[5]-3:	S[6](C[5,3x6]C[5,3x6]C[3x6]C[5])(C[5,6]C[5,6]C[5])	C[5,3x6](C[5,3x6]C[3x6]C[5]S[6])(C[3x6]C[6,6,6a]2Br)(S[6]C[5,6])(C[5]N[5]O)	C[5,6](C[5,6]C[5]S[6])(S[6]C[5,3x6])(C[5]N[5]O)	S[6](C[5,3x6]C[5,3x6]C[3x6]C[5])(C[5,6]C[5,6]C[5]){1|Br<1>,1|C<4>,1|S<2>,2|N<3>,2|O<1>,4|C<3>}	C[5,3x6](C[5,3x6]C[3x6]C[5]S[6])(C[3x6]C[6,6,6a]2Br)(S[6]C[5,6])(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,6|C<3>}	C[5,6](C[5,6]C[5]S[6])(S[6]C[5,3x6])(C[5]N[5]O){1|C<3>,1|O<1>,3|C<4>}	102.7550	0.209	2	102.7550	0.044	2	102.4085	0.282	6	102.4085	0.282	6	102.4085	0.282	6	101.8662	4.483	8
286	474	818	6:SP2_SP2_SP3	S[6]	C[5,3x6]	C[5,6]	4:3:	4:4:2:3:	3:2:3:	C[5,3x6]-4:C[5,6]-3:	C[5,3x6]-4:C[3x6]-4:S[6]-2:C[5]-3:	C[5,6]-3:S[6]-2:C[5]-3:	S[6](C[5,3x6]C[5,3x6]C[3x6]C[5])(C[5,6]C[5,6]C[5])	C[5,3x6](C[5,3x6]C[3x6]C[5]S[6])(C[3x6]C[6,6,6a]2C)(S[6]C[5,6])(C[5]N[5]O)	C[5,6](C[5,6]C[5]S[6])(S[6]C[5,3x6])(C[5]N[5]O)	S[6](C[5,3x6]C[5,3x6]C[3x6]C[5])(C[5,6]C[5,6]C[5]){1|C<4>,1|S<2>,2|N<3>,2|O<1>,5|C<3>}	C[5,3x6](C[5,3x6]C[3x6]C[5]S[6])(C[3x6]C[6,6,6a]2C)(S[6]C[5,6])(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,6|C<3>}	C[5,6](C[5,6]C[5]S[6])(S[6]C[5,3x6])(C[5]N[5]O){1|C<3>,1|O<1>,3|C<4>}	101.8990	0.000	1	101.8990	0.000	1	102.4085	0.282	6	102.4085	0.282	6	102.4085	0.282	6	101.8662	4.483	8
286	474	818	6:SP2_SP2_SP3	S[6]	C[5,3x6]	C[5,6]	4:3:	4:4:2:3:	3:2:3:	C[5,3x6]-4:C[5,6]-3:	C[5,3x6]-4:C[3x6]-4:S[6]-2:C[5]-3:	C[5,6]-3:S[6]-2:C[5]-3:	S[6](C[5,3x6]C[5,3x6]C[3x6]C[5])(C[5,6]C[5,6]C[5])	C[5,3x6](C[5,3x6]C[3x6]C[5]S[6])(C[3x6]C[6,6,6a]2H)(S[6]C[5,6])(C[5]N[5]O)	C[5,6](C[5,6]C[5]S[6])(S[6]C[5,3x6])(C[5]N[5]O)	S[6](C[5,3x6]C[5,3x6]C[3x6]C[5])(C[5,6]C[5,6]C[5]){1|C<4>,1|H<1>,1|S<2>,2|N<3>,2|O<1>,4|C<3>}	C[5,3x6](C[5,3x6]C[3x6]C[5]S[6])(C[3x6]C[6,6,6a]2H)(S[6]C[5,6])(C[5]N[5]O){1|Br<1>,1|C<4>,1|O<1>,6|C<3>}	C[5,6](C[5,6]C[5]S[6])(S[6]C[5,3x6])(C[5]N[5]O){1|C<3>,1|O<1>,3|C<4>}	102.4425	0.894	2	102.3473	0.427	3	102.4085	0.282	6	102.4085	0.282	6	102.4085	0.282	6	101.8662	4.483	8
286	474	818	6:SP2_SP2_SP3	S[6]	C[5,3x6]	C[5,6]	4:3:	4:4:2:3:	3:2:3:	C[5,3x6]-4:C[5,6]-3:	C[5,3x6]-4:C[3x6]-4:S[6]-2:C[5]-3:	C[5,6]-3:S[6]-2:C[5]-3:	S[6](C[5,3x6]C[5,3x6]C[3x6]C[5])(C[5,6]C[5,6]C[5])	C[5,3x6](C[5,3x6]C[3x6]C[5]S[6])(C[3x6]C[6,6,6a]2H)(S[6]C[5,6])(C[5]N[5]O)	C[5,6](C[5,6]C[5]S[6])(S[6]C[5,3x6])(C[5]N[5]O)	S[6](C[5,3x6]C[5,3x6]C[3x6]C[5])(C[5,6]C[5,6]C[5]){1|C<4>,1|H<1>,1|S<2>,2|N<3>,2|O<1>,4|C<3>}	C[5,3x6](C[5,3x6]C[3x6]C[5]S[6])(C[3x6]C[6,6,6a]2H)(S[6]C[5,6])(C[5]N[5]O){1|C<4>,1|O<1>,7|C<3>}	C[5,6](C[5,6]C[5]S[6])(S[6]C[5,3x6])(C[5]N[5]O){1|C<3>,1|O<1>,3|C<4>}	102.1570	0.000	1	102.3473	0.427	3	102.4085	0.282	6	102.4085	0.282	6	102.4085	0.282	6	101.8662	4.483	8
286	474	818	6:SP2_SP2_SP3	S[6]	C[5,6]	C[5,6]	4:3:	4:4:2:1:	3:2:2:	C[5,6]-4:C[5,6]-3:	C[5,6]-4:C[5]-4:S[6]-2:H-1:	C[5,6]-3:S[6]-2:S[5]-2:	S[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]S[5])	C[5,6](C[5,6]C[5]S[6]H)(C[5]C[5]HH)(S[6]C[5,6])(H)	C[5,6](C[5,6]S[5]S[6])(S[6]C[5,6])(S[5]C[5])	S[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]S[5]){1|C<3>,2|C<4>,2|S<2>,3|H<1>}	C[5,6](C[5,6]C[5]S[6]H)(C[5]C[5]HH)(S[6]C[5,6])(H){1|C<3>,1|S<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]S[5]S[6])(S[6]C[5,6])(S[5]C[5]){1|C<3>,1|H<1>,2|C<4>}	100.2392	4.787	2	100.2392	22.914	2	100.2392	22.914	2	100.2392	22.914	2	100.2392	22.914	2	101.8662	4.483	8
286	478	762	6:SP2_SP2_SP3	S[6]	C[4,6]	C[6]	4:3:	4:4:3:2:	2:3:3:	C[4,6]-4:C[6]-3:	C[4]-4:C[4]-4:N[6]-3:S[6]-2:	S[6]-2:C[6]-3:N-3:	S[6](C[4,6]C[4]2N[6])(C[6]C[6]N)	C[4,6](C[4]C[4]HH)2(N[6]C[6]H)(S[6]C[6])	C[6](S[6]C[4,6])(C[6]C[6]C)(NC[6a]H)	S[6](C[4,6]C[4]2N[6])(C[6]C[6]N){1|C<2>,1|C<3>,1|C<4>,5|H<1>}	C[4,6](C[4]C[4]HH)2(N[6]C[6]H)(S[6]C[6]){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	C[6](S[6]C[4,6])(C[6]C[6]C)(NC[6a]H){1|N<3>,1|O<1>,2|C<4>}	98.4159	0.000	1	98.4159	0.000	1	98.4159	0.000	1	98.4159	0.000	1	98.4159	0.000	1	98.4159	0.000	1
286	486	643	6:SP2_SP2_SP3	S[6]	C[3,6]	C[6,6a]	3:4:	4:4:2:3:	3:3:2:	C[6,6a]-3:C[3,6]-4:	C[3,6]-4:C[3]-4:S[6]-2:N-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]N)	C[3,6](C[3,6]C[3]P[6]C)(C[3]C[3,6]CH)(S[6]C[6,6a])(NCC)	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(S[6]C[3,6])	S[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]N){1|P<4>,2|C<3>,2|C<4>,2|H<1>}	C[3,6](C[3,6]C[3]P[6]C)(C[3]C[3,6]CH)(S[6]C[6,6a])(NCC){4|C<3>}	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(S[6]C[3,6]){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	106.5570	0.000	1	106.5570	0.000	1	106.5570	0.000	1	106.5570	0.000	1	106.5570	0.000	1	106.5570	0.000	1
286	622	643	6:SP2_SP2_SP2	S[6]	O[6]	C[6,6a]	3:2:	4:2:	3:3:2:	C[6,6a]-3:O[6]-2:	C[5,6]-4:S[6]-2:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])	O[6](C[5,6]C[5,5]N[5,6]H)(S[6]C[6,6a])	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[6]O[6])	S[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	O[6](C[5,6]C[5,5]N[5,6]H)(S[6]C[6,6a]){2|C<4>,4|C<3>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[6]O[6]){1|C<3>,2|C<4>,2|H<1>}	99.2899	0.000	1	99.2899	0.000	1	99.2899	0.000	1	99.2899	0.000	1	99.2899	0.000	1	99.2899	0.000	1
286	643	643	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[6,6a]	3:3:	3:2:2:	3:2:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:S[6]-2:N[6a]-2:	C[6,6a]-3:S[6]-2:N[6a]-2:	S[6](C[6,6a]C[6,6a]N[6a])2	C[6,6a](C[6,6a]N[6a]S[6])(S[6]C[6,6a])(N[6a]C[6a])	C[6,6a](C[6,6a]N[6a]S[6])(S[6]C[6,6a])(N[6a]C[6a])	S[6](C[6,6a]C[6,6a]N[6a])2{1|S<2>,2|C<3>,2|N<2>}	C[6,6a](C[6,6a]N[6a]S[6])(S[6]C[6,6a])(N[6a]C[6a]){1|H<1>,1|N<2>,2|C<3>}	C[6,6a](C[6,6a]N[6a]S[6])(S[6]C[6,6a])(N[6a]C[6a]){1|H<1>,1|N<2>,2|C<3>}	105.7480	0.000	1	105.7480	0.000	1	105.7480	0.000	1	105.7480	0.000	1	100.2963	5.061	320	100.2963	5.061	320
286	643	643	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[6,6a]	3:3:	3:2:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:S[6]-2:N[6a]-2:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])	C[6,6a](C[6,6a]C[6a]N[6])(S[6]C[6,6a])(N[6a]C[6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a]){1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(S[6]C[6,6a])(N[6a]C[6a]){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|N<2>,2|C<3>,3|H<1>}	101.9120	0.000	1	101.9120	0.000	1	101.9120	0.000	1	101.9120	0.000	1	100.2963	5.061	320	100.2963	5.061	320
286	643	643	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[5a,6a]-3:C[6,6a]-3:S[6]-2:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]N[6])(S[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a]){1|H<1>,2|N<3>,4|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]N[6])(S[6]C[6,6a]){2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){3|C<3>,3|H<1>}	99.3045	0.805	3	99.3045	0.647	3	99.3045	0.647	3	100.2740	4.991	318	100.2963	5.061	320	100.2963	5.061	320
286	643	643	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6,6a]-3:C[6a]-3:S[6]-2:	C[6,6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6,6a]C[6a])2	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(S[6]C[6,6a])	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6,6a]C[6a])2{1|P<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|H<1>,1|O<2>,4|C<3>}	102.3720	0.000	1	103.2128	3.897	12	103.2128	3.897	12	100.2740	4.991	318	100.2963	5.061	320	100.2963	5.061	320
286	643	643	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6,6a]-3:C[6a]-3:S[6]-2:	C[6,6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6,6a]C[6a])2	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(S[6]C[6,6a])	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6,6a]C[6a])2{1|P<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|H<1>,1|S<2>,4|C<3>}	101.8907	0.468	4	103.2128	3.897	12	103.2128	3.897	12	100.2740	4.991	318	100.2963	5.061	320	100.2963	5.061	320
286	643	643	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6,6a]-3:C[6a]-3:S[6]-2:	C[6,6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6,6a]C[6a])2	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(S[6]C[6,6a])	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6,6a]C[6a])2{1|P<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|H<1>,1|S<2>,4|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|H<1>,1|S<2>,4|C<3>}	101.8797	0.122	3	103.2128	3.897	12	103.2128	3.897	12	100.2740	4.991	318	100.2963	5.061	320	100.2963	5.061	320
286	643	643	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6,6a]-3:C[6a]-3:S[6]-2:	C[6,6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6,6a]C[6a])2	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(S[6]C[6,6a])	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6,6a]C[6a])2{1|P<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	104.8690	0.000	1	103.2128	3.897	12	103.2128	3.897	12	100.2740	4.991	318	100.2963	5.061	320	100.2963	5.061	320
286	643	643	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6,6a]-3:C[6a]-3:S[6]-2:	C[6,6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6,6a]C[6a])2	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(S[6]C[6,6a])	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6,6a]C[6a])2{1|P<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|H<1>,1|O<1>,1|S<2>,4|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|H<1>,1|O<1>,1|S<2>,4|C<3>}	106.0367	1.114	3	103.2128	3.897	12	103.2128	3.897	12	100.2740	4.991	318	100.2963	5.061	320	100.2963	5.061	320
286	643	643	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(S[6]C[6,6a])	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,4|C<3>}	99.4752	0.000	1	99.4626	2.457	4	99.4017	1.861	5	100.2740	4.991	318	100.2963	5.061	320	100.2963	5.061	320
286	643	643	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(S[6]C[6,6a])	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<4>,1|S<2>,4|C<3>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<4>,1|H<1>,4|C<3>}	100.0687	2.266	2	99.4626	2.457	4	99.4017	1.861	5	100.2740	4.991	318	100.2963	5.061	320	100.2963	5.061	320
286	643	643	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(S[6]C[6,6a])	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|H<1>,1|S<2>,4|C<3>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,4|C<3>}	98.2378	0.000	1	99.4626	2.457	4	99.4017	1.861	5	100.2740	4.991	318	100.2963	5.061	320	100.2963	5.061	320
286	643	643	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(S[6]C[6,6a])	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]O)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|H<1>,1|S<2>,4|C<3>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]O)(S[6]C[6,6a]){1|H<1>,1|O<2>,4|C<3>}	99.1583	0.000	1	99.1583	0.000	1	99.4017	1.861	5	100.2740	4.991	318	100.2963	5.061	320	100.2963	5.061	320
286	643	643	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a,6a]-3:C[5,6a]-3:S[6]-2:	C[6,6a,6a]-3:C[6,6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a,6a]C[5,6a])(C[6,6a]C[6,6a,6a]C[6,6a])	C[6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a]C[5,6a,6a]C[5,6])(S[6]C[6,6a])	C[6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a]C[6,6a,6a]C[6])(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a,6a]C[5,6a])(C[6,6a]C[6,6a,6a]C[6,6a]){1|C<4>,6|C<3>}	C[6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a]C[5,6a,6a]C[5,6])(S[6]C[6,6a]){1|H<1>,1|O<2>,7|C<3>}	C[6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a]C[6,6a,6a]C[6])(S[6]C[6,6a]){1|C<4>,1|O<1>,6|C<3>}	92.2733	0.000	1	92.2733	0.000	1	92.2733	0.000	1	100.2740	4.991	318	100.2963	5.061	320	100.2963	5.061	320
286	643	643	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a,6a]-3:C[6a]-3:S[6]-2:	C[6,6a,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a,6a]C[6a])2	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(S[6]C[6,6a])	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a,6a]C[6a])2{2|H<1>,5|C<3>}	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(S[6]C[6,6a]){1|H<1>,5|C<3>}	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[6a]C[6a]H)(S[6]C[6,6a]){1|H<1>,5|C<3>}	104.2700	0.132	3	104.2700	0.017	3	104.3363	0.029	4	100.2740	4.991	318	100.2963	5.061	320	100.2963	5.061	320
286	643	643	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a,6a]-3:C[6a]-3:S[6]-2:	C[6,6a,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a,6a]C[6a])2	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(S[6]C[6,6a])	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a,6a]C[6a])2{2|H<1>,5|C<3>}	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(S[6]C[6,6a]){1|H<1>,5|C<3>}	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(S[6]C[6,6a]){1|H<1>,5|C<3>}	104.5350	0.000	1	104.5350	0.000	1	104.3363	0.029	4	100.2740	4.991	318	100.2963	5.061	320	100.2963	5.061	320
286	643	643	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a,6a]H)(S[6]C[6,6a])	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){2|H<1>,5|C<3>}	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a,6a]H)(S[6]C[6,6a]){6|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,4|C<3>}	105.1560	0.000	1	105.1560	0.000	1	103.1069	2.635	8	100.2740	4.991	318	100.2963	5.061	320	100.2963	5.061	320
286	643	643	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(S[6]C[6,6a])	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){2|H<1>,5|C<3>}	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(S[6]C[6,6a]){1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,4|C<3>}	101.3753	0.205	3	101.3753	0.042	3	103.1069	2.635	8	100.2740	4.991	318	100.2963	5.061	320	100.2963	5.061	320
286	643	643	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]C)(S[6]C[6,6a])	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]C)(S[6]C[6,6a]){1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,4|C<3>}	104.7130	0.086	2	104.7130	0.007	2	103.1069	2.635	8	100.2740	4.991	318	100.2963	5.061	320	100.2963	5.061	320
286	643	643	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]N)(S[6]C[6,6a])	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]N)(S[6]C[6,6a]){1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,4|C<3>}	103.0735	0.035	2	103.0735	0.001	2	103.1069	2.635	8	100.2740	4.991	318	100.2963	5.061	320	100.2963	5.061	320
286	643	643	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(S[6]C[6,6a])	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,5|C<3>}	101.9453	1.000	4	101.9453	0.999	4	99.9941	3.827	279	100.2740	4.991	318	100.2963	5.061	320	100.2963	5.061	320
286	643	643	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]C)(S[6]C[6,6a])	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2{1|H<1>,2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]C)(S[6]C[6,6a]){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,5|C<3>}	103.3845	0.203	2	103.3845	0.041	2	99.9941	3.827	279	100.2740	4.991	318	100.2963	5.061	320	100.2963	5.061	320
286	643	643	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(S[6]C[6,6a])	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,5|C<3>}	103.1966	0.365	5	103.1966	0.133	5	99.9941	3.827	279	100.2740	4.991	318	100.2963	5.061	320	100.2963	5.061	320
286	643	643	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]N[6a]H)(S[6]C[6,6a])	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]N[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|C<3>,2|H<1>,2|N<2>}	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]N[6a]H)(S[6]C[6,6a]){1|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]N[6a]H)(S[6]C[6,6a]){1|C<4>,4|C<3>}	97.7902	0.000	1	97.7902	0.000	1	99.9941	3.827	279	100.2740	4.991	318	100.2963	5.061	320	100.2963	5.061	320
286	643	643	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a,6a]S[6])(C[6a]N[6a]H)(S[6]C[6,6a])	C[6,6a](C[6,6a]C[6a,6a]S[6])(C[6a]N[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2{1|S<2>,2|C<3>,2|H<1>,2|N<2>}	C[6,6a](C[6,6a]C[6a,6a]S[6])(C[6a]N[6a]H)(S[6]C[6,6a]){4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]S[6])(C[6a]N[6a]H)(S[6]C[6,6a]){4|C<3>}	100.5280	0.000	1	100.5280	0.000	1	99.9941	3.827	279	100.2740	4.991	318	100.2963	5.061	320	100.2963	5.061	320
286	643	643	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(S[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2{2|Br<1>,1|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(S[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(S[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	99.5263	0.000	1	99.5263	0.000	1	99.9941	3.827	279	100.2740	4.991	318	100.2963	5.061	320	100.2963	5.061	320
286	643	643	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<4>,3|C<3>,3|H<1>}	101.1970	0.000	1	100.2318	2.680	22	99.9941	3.827	279	100.2740	4.991	318	100.2963	5.061	320	100.2963	5.061	320
286	643	643	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|N<3>,2|H<1>,4|C<3>}	101.1269	0.328	8	100.2318	2.680	22	99.9941	3.827	279	100.2740	4.991	318	100.2963	5.061	320	100.2963	5.061	320
286	643	643	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2{2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<2>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<2>,1|H<1>,1|O<2>,3|C<3>}	102.5670	0.014	2	100.2318	2.680	22	99.9941	3.827	279	100.2740	4.991	318	100.2963	5.061	320	100.2963	5.061	320
286	643	643	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2{2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|H<1>,1|O<2>,4|C<3>}	99.8700	0.000	1	100.2318	2.680	22	99.9941	3.827	279	100.2740	4.991	318	100.2963	5.061	320	100.2963	5.061	320
286	643	643	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2{2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,4|C<3>}	97.8537	0.000	1	100.2318	2.680	22	99.9941	3.827	279	100.2740	4.991	318	100.2963	5.061	320	100.2963	5.061	320
286	643	643	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2{2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|N<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|N<2>,2|H<1>,3|C<3>}	101.4730	0.000	1	100.2318	2.680	22	99.9941	3.827	279	100.2740	4.991	318	100.2963	5.061	320	100.2963	5.061	320
286	643	643	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2{2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,4|C<3>}	98.8195	1.414	8	100.2318	2.680	22	99.9941	3.827	279	100.2740	4.991	318	100.2963	5.061	320	100.2963	5.061	320
286	643	643	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6a]C)(S[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2{1|C<2>,1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6a]C)(S[6]C[6,6a]){1|C<2>,1|C<4>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<4>,2|H<1>,3|C<3>}	98.5646	0.000	1	98.4760	0.016	2	99.9941	3.827	279	100.2740	4.991	318	100.2963	5.061	320	100.2963	5.061	320
286	643	643	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6a]C)(S[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2{1|C<2>,1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6a]C)(S[6]C[6,6a]){1|C<2>,1|C<4>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<4>,2|H<1>,3|C<3>}	98.3874	0.000	1	98.4760	0.016	2	99.9941	3.827	279	100.2740	4.991	318	100.2963	5.061	320	100.2963	5.061	320
286	643	643	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]F)(S[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]F)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|F<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]F)(S[6]C[6,6a]){1|C<4>,2|F<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]F)(S[6]C[6,6a]){1|C<4>,2|F<1>,3|C<3>}	98.3668	0.000	1	98.6547	0.166	2	99.9941	3.827	279	100.2740	4.991	318	100.2963	5.061	320	100.2963	5.061	320
286	643	643	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]F)(S[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]F)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|F<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]F)(S[6]C[6,6a]){1|H<1>,2|F<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]F)(S[6]C[6,6a]){1|H<1>,2|F<1>,3|C<3>}	98.9425	0.000	1	98.6547	0.166	2	99.9941	3.827	279	100.2740	4.991	318	100.2963	5.061	320	100.2963	5.061	320
286	643	643	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]F)(S[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2{1|F<1>,1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]F)(S[6]C[6,6a]){1|C<4>,2|F<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<4>,2|H<1>,3|C<3>}	98.3084	0.000	1	98.3084	0.000	1	99.9941	3.827	279	100.2740	4.991	318	100.2963	5.061	320	100.2963	5.061	320
286	643	643	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(S[6]C[6,6a]){1|C<4>,5|C<3>}	99.3417	0.000	1	99.3417	0.000	1	99.9941	3.827	279	100.2740	4.991	318	100.2963	5.061	320	100.2963	5.061	320
286	643	643	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2{1|N<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|H<1>,1|N<3>,3|C<3>}	103.7588	0.634	5	99.7254	3.839	193	99.9941	3.827	279	100.2740	4.991	318	100.2963	5.061	320	100.2963	5.061	320
286	643	643	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2{1|N<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,3|C<3>}	100.9710	0.274	2	99.7254	3.839	193	99.9941	3.827	279	100.2740	4.991	318	100.2963	5.061	320	100.2963	5.061	320
286	643	643	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|Ag<3>,1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|Ag<3>,1|H<1>,1|N<3>,3|C<3>}	102.8810	0.000	1	99.7254	3.839	193	99.9941	3.827	279	100.2740	4.991	318	100.2963	5.061	320	100.2963	5.061	320
286	643	643	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|B<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|B<3>,2|H<1>,3|C<3>}	97.4459	0.725	2	99.7254	3.839	193	99.9941	3.827	279	100.2740	4.991	318	100.2963	5.061	320	100.2963	5.061	320
286	643	643	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|Br<1>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|H<1>,5|C<3>}	98.8726	0.000	1	99.7254	3.839	193	99.9941	3.827	279	100.2740	4.991	318	100.2963	5.061	320	100.2963	5.061	320
286	643	643	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	99.1122	0.000	1	99.7254	3.839	193	99.9941	3.827	279	100.2740	4.991	318	100.2963	5.061	320	100.2963	5.061	320
286	643	643	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<4>,2|H<1>,3|C<3>}	99.0760	0.000	1	99.7254	3.839	193	99.9941	3.827	279	100.2740	4.991	318	100.2963	5.061	320	100.2963	5.061	320
286	643	643	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<2>,2|H<1>,3|C<3>}	99.8339	0.000	1	99.7254	3.839	193	99.9941	3.827	279	100.2740	4.991	318	100.2963	5.061	320	100.2963	5.061	320
286	643	643	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	99.1081	2.393	7	99.7254	3.839	193	99.9941	3.827	279	100.2740	4.991	318	100.2963	5.061	320	100.2963	5.061	320
286	643	643	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<4>,2|H<1>,3|C<3>}	100.1480	0.000	1	99.7254	3.839	193	99.9941	3.827	279	100.2740	4.991	318	100.2963	5.061	320	100.2963	5.061	320
286	643	643	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	100.2077	3.914	2	99.7254	3.839	193	99.9941	3.827	279	100.2740	4.991	318	100.2963	5.061	320	100.2963	5.061	320
286	643	643	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<4>,1|H<1>,1|P<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<4>,2|H<1>,3|C<3>}	98.9093	0.000	1	99.7254	3.839	193	99.9941	3.827	279	100.2740	4.991	318	100.2963	5.061	320	100.2963	5.061	320
286	643	643	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<4>,1|H<1>,1|S<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<4>,2|H<1>,3|C<3>}	98.4244	0.019	2	99.7254	3.839	193	99.9941	3.827	279	100.2740	4.991	318	100.2963	5.061	320	100.2963	5.061	320
286	643	643	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<4>,1|H<1>,4|C<3>}	100.4547	1.670	9	99.7254	3.839	193	99.9941	3.827	279	100.2740	4.991	318	100.2963	5.061	320	100.2963	5.061	320
286	643	643	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<4>,2|H<1>,3|C<3>}	98.8022	1.672	27	99.7254	3.839	193	99.9941	3.827	279	100.2740	4.991	318	100.2963	5.061	320	100.2963	5.061	320
286	643	643	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,4|C<3>}	98.2500	0.117	3	99.7254	3.839	193	99.9941	3.827	279	100.2740	4.991	318	100.2963	5.061	320	100.2963	5.061	320
286	643	643	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<4>,2|H<1>,3|C<3>}	100.0919	2.241	36	99.7254	3.839	193	99.9941	3.827	279	100.2740	4.991	318	100.2963	5.061	320	100.2963	5.061	320
286	643	643	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|Cu<3>,1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|Cu<3>,1|H<1>,1|N<3>,3|C<3>}	102.5190	0.000	1	99.7254	3.839	193	99.9941	3.827	279	100.2740	4.991	318	100.2963	5.061	320	100.2963	5.061	320
286	643	643	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|H<1>,1|N<3>,4|C<3>}	98.7839	0.642	5	99.7254	3.839	193	99.9941	3.827	279	100.2740	4.991	318	100.2963	5.061	320	100.2963	5.061	320
286	643	643	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|H<1>,2|C<4>,3|C<3>}	99.2765	1.816	4	99.7254	3.839	193	99.9941	3.827	279	100.2740	4.991	318	100.2963	5.061	320	100.2963	5.061	320
286	643	643	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,4|C<3>}	100.5392	1.829	4	99.7254	3.839	193	99.9941	3.827	279	100.2740	4.991	318	100.2963	5.061	320	100.2963	5.061	320
286	643	643	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,4|C<3>}	99.3758	1.589	65	99.7254	3.839	193	99.9941	3.827	279	100.2740	4.991	318	100.2963	5.061	320	100.2963	5.061	320
286	643	643	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){3|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){3|C<3>,3|C<4>}	102.8560	0.000	1	99.7254	3.839	193	99.9941	3.827	279	100.2740	4.991	318	100.2963	5.061	320	100.2963	5.061	320
286	643	643	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){3|C<3>,3|H<1>}	101.5168	1.130	10	99.7254	3.839	193	99.9941	3.827	279	100.2740	4.991	318	100.2963	5.061	320	100.2963	5.061	320
286	643	643	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2{1|N<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|Al<4>,1|Cr<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|Al<4>,1|Cr<4>,2|H<1>,3|C<3>}	98.5505	0.000	1	99.7254	3.839	193	99.9941	3.827	279	100.2740	4.991	318	100.2963	5.061	320	100.2963	5.061	320
286	643	643	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]N[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]N[6a]H)(S[6]C[6,6a]){1|C<4>,1|H<1>,3|C<3>}	98.0146	0.000	1	98.0146	0.000	1	99.9941	3.827	279	100.2740	4.991	318	100.2963	5.061	320	100.2963	5.061	320
286	643	643	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<4>,1|H<1>,3|C<3>}	99.0624	0.000	1	99.0624	0.000	1	99.9941	3.827	279	100.2740	4.991	318	100.2963	5.061	320	100.2963	5.061	320
286	643	643	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(S[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2{1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|B<3>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,3|C<3>}	99.3495	0.349	3	98.7676	1.209	12	99.9941	3.827	279	100.2740	4.991	318	100.2963	5.061	320	100.2963	5.061	320
286	643	643	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(S[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2{1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<4>,1|P<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<4>,1|P<3>,3|C<3>}	98.2752	0.000	1	98.7676	1.209	12	99.9941	3.827	279	100.2740	4.991	318	100.2963	5.061	320	100.2963	5.061	320
286	643	643	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(S[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2{1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<4>,1|S<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<4>,1|S<2>,3|C<3>}	97.4374	0.225	2	98.7676	1.209	12	99.9941	3.827	279	100.2740	4.991	318	100.2963	5.061	320	100.2963	5.061	320
286	643	643	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(S[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2{1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|H<1>,1|S<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|H<1>,1|S<2>,3|C<3>}	99.4360	1.362	4	98.7676	1.209	12	99.9941	3.827	279	100.2740	4.991	318	100.2963	5.061	320	100.2963	5.061	320
286	643	643	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(S[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2{1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,3|C<3>}	98.1345	0.236	2	98.7676	1.209	12	99.9941	3.827	279	100.2740	4.991	318	100.2963	5.061	320	100.2963	5.061	320
286	643	643	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]2)(S[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2{1|H<1>,1|S<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]2)(S[6]C[6,6a]){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,3|C<3>}	101.8448	0.131	6	101.8448	0.017	6	99.9941	3.827	279	100.2740	4.991	318	100.2963	5.061	320	100.2963	5.061	320
286	643	643	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2{1|S<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|B<3>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,3|C<3>}	100.3660	0.000	1	101.1713	1.881	21	99.9941	3.827	279	100.2740	4.991	318	100.2963	5.061	320	100.2963	5.061	320
286	643	643	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2{1|S<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|Cl<1>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,3|C<3>}	101.1790	0.178	2	101.1713	1.881	21	99.9941	3.827	279	100.2740	4.991	318	100.2963	5.061	320	100.2963	5.061	320
286	643	643	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2{1|S<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,3|C<3>}	101.1754	0.888	9	101.1713	1.881	21	99.9941	3.827	279	100.2740	4.991	318	100.2963	5.061	320	100.2963	5.061	320
286	643	643	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2{1|S<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,3|C<3>}	101.4973	1.940	8	101.1713	1.881	21	99.9941	3.827	279	100.2740	4.991	318	100.2963	5.061	320	100.2963	5.061	320
286	643	643	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2{1|S<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|O<1>,2|H<1>,3|C<3>}	99.3152	0.000	1	101.1713	1.881	21	99.9941	3.827	279	100.2740	4.991	318	100.2963	5.061	320	100.2963	5.061	320
286	643	643	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[5,6a]H)(S[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[5,6a]H)(S[6]C[6,6a]){1|C<4>,1|S<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|Cl<1>,1|H<1>,3|C<3>}	102.7245	0.401	2	102.7245	0.161	2	99.9941	3.827	279	100.2740	4.991	318	100.2963	5.061	320	100.2963	5.061	320
286	643	643	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a,6a]H)(S[6]C[6,6a])	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a,6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|C<3>,2|H<1>,2|N<2>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a,6a]H)(S[6]C[6,6a]){1|C<4>,4|C<3>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a,6a]H)(S[6]C[6,6a]){1|C<4>,4|C<3>}	102.5730	0.000	1	102.5730	0.000	1	99.9941	3.827	279	100.2740	4.991	318	100.2963	5.061	320	100.2963	5.061	320
286	643	643	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6,6a]-3:S[6]-2:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6a,6a]C[3x6a]C[6a])(C[6,6a]C[6a,6a]S[6])(S[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a]){1|H<1>,1|S<2>,5|C<3>}	C[6,6a](C[6a,6a]C[3x6a]C[6a])(C[6,6a]C[6a,6a]S[6])(S[6]C[6,6a]){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,3|C<3>}	107.8630	0.307	2	107.8630	0.094	2	107.8630	0.094	2	100.2740	4.991	318	100.2963	5.061	320	100.2963	5.061	320
286	643	643	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6,6a]-3:S[6]-2:	C[6a,6a]-3:C[6,6a]-3:S[6]-2:	S[6](C[6,6a]C[6a,6a]C[6,6a])2	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]S[6])(S[6]C[6,6a])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]S[6])(S[6]C[6,6a])	S[6](C[6,6a]C[6a,6a]C[6,6a])2{1|S<2>,6|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]S[6])(S[6]C[6,6a]){1|N<2>,2|H<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]S[6])(S[6]C[6,6a]){1|N<2>,2|H<1>,4|C<3>}	100.3340	0.000	1	100.3340	0.000	1	100.3340	0.000	1	100.2740	4.991	318	100.2963	5.061	320	100.2963	5.061	320
286	643	643	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6a]-3:C[6,6a]-3:S[6]-2:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6a]C[5,6a]C[6a])(C[6,6a]C[6a]N[6])(S[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2{1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[6a]C[5,6a]C[6a])(C[6,6a]C[6a]N[6])(S[6]C[6,6a]){1|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){3|C<3>,3|H<1>}	101.3610	0.000	1	101.3610	0.000	1	101.5927	0.590	3	100.2740	4.991	318	100.2963	5.061	320	100.2963	5.061	320
286	643	643	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6a]-3:C[6,6a]-3:S[6]-2:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6a]C[6,6a]C[5a])(C[6,6a]C[6a]N[6])(S[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2{1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[6a]C[6,6a]C[5a])(C[6,6a]C[6a]N[6])(S[6]C[6,6a]){1|H<1>,1|S<2>,6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){3|C<3>,3|H<1>}	102.4500	0.000	1	102.4500	0.000	1	101.5927	0.590	3	100.2740	4.991	318	100.2963	5.061	320	100.2963	5.061	320
286	643	643	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6a]-3:C[6,6a]-3:S[6]-2:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(S[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])2{1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(S[6]C[6,6a]){1|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){3|C<3>,3|H<1>}	100.9670	0.000	1	100.9670	0.000	1	101.5927	0.590	3	100.2740	4.991	318	100.2963	5.061	320	100.2963	5.061	320
286	643	727	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[5a,6]	3:3:	3:2:2:	3:3:2:	C[5a,6]-3:C[6,6a]-3:	C[6,6a]-3:N[6a]-2:S[6]-2:	C[5a,6]-3:C[5a]-3:S[6]-2:	S[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]N[6a])	C[6,6a](C[6,6a]N[6a]S[6])(N[6a]C[6a,6a])(S[6]C[5a,6])	C[5a,6](C[5a,6]C[5a]S[6])(C[5a]S[5a]H)(S[6]C[6,6a])	S[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]N[6a]){1|H<1>,1|N<2>,2|C<3>,2|S<2>}	C[6,6a](C[6,6a]N[6a]S[6])(N[6a]C[6a,6a])(S[6]C[5a,6]){4|C<3>}	C[5a,6](C[5a,6]C[5a]S[6])(C[5a]S[5a]H)(S[6]C[6,6a]){1|C<3>,1|H<1>,1|N<2>}	103.4949	2.770	6	103.4949	7.674	6	103.4949	7.674	6	103.4949	7.674	6	102.2580	6.106	14	102.2580	6.106	14
286	643	727	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[5a,6]	3:3:	3:3:2:	3:2:2:	C[5a,6]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	N[5a,6]-3:N[5a]-2:S[6]-2:	S[6](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[5a,6])	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(S[6]C[6,6a])	S[6](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a]){1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[5a,6]){1|C<3>,1|F<1>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(S[6]C[6,6a]){1|O<1>,4|C<3>}	101.8380	0.000	1	101.8755	0.003	2	101.8755	0.003	2	100.4126	6.421	3	102.2580	6.106	14	102.2580	6.106	14
286	643	727	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[5a,6]	3:3:	3:3:2:	3:2:2:	C[5a,6]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	N[5a,6]-3:N[5a]-2:S[6]-2:	S[6](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[5a,6])	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(S[6]C[6,6a])	S[6](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a]){1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[5a,6]){1|C<3>,1|N<3>,2|H<1>,2|N<2>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(S[6]C[6,6a]){1|N<2>,4|C<3>}	101.9130	0.000	1	101.8755	0.003	2	101.8755	0.003	2	100.4126	6.421	3	102.2580	6.106	14	102.2580	6.106	14
286	643	727	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[5a,6]	3:3:	3:3:2:	3:2:2:	C[5a,6]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	N[5a,6]-3:S[6]-2:N[5a]-2:	S[6](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[5a,6])	C[5a,6](N[5a,6]C[5a]C[6])(S[6]C[6,6a])(N[5a]N[5a])	S[6](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[5a,6]){1|C<3>,1|N<2>,1|N<3>,4|H<1>}	C[5a,6](N[5a,6]C[5a]C[6])(S[6]C[6,6a])(N[5a]N[5a]){2|H<1>,3|C<3>}	97.4869	0.000	1	97.4869	0.000	1	97.4869	0.000	1	100.4126	6.421	3	102.2580	6.106	14	102.2580	6.106	14
286	643	727	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[5a,6]	3:3:	3:3:2:	3:3:2:	C[5a,6]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[5a,6a]-3:C[5a,6]-3:S[6]-2:	S[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[5a,6])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(S[6]C[6,6a])	S[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a]){1|H<1>,1|S<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[5a,6]){3|C<3>,3|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(S[6]C[6,6a]){2|H<1>,4|C<3>}	103.8960	0.000	1	103.8960	0.000	1	103.8960	0.000	1	101.8810	2.014	5	102.2580	6.106	14	102.2580	6.106	14
286	643	727	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[5a,6]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[5a,6]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[5a,6]-3:C[5a,6]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a,6]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[5a,6])	C[5a,6](C[5a,6]C[5a,6]S[6])(C[5a,6]S[5a]C[6])(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a,6]2){1|H<1>,2|S<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[5a,6]){1|C<2>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6]S[6])(C[5a,6]S[5a]C[6])(S[6]C[6,6a]){1|C<2>,4|C<3>}	102.2035	0.496	2	102.2035	0.246	2	101.3773	0.993	4	101.8810	2.014	5	102.2580	6.106	14	102.2580	6.106	14
286	643	727	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[5a,6]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[5a,6]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[5a,6]-3:C[5a,6]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a,6]2)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[5a,6])	C[5a,6](C[5a,6]C[5a,6]S[6])(C[5a,6]N[5a]N[6])(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a,6]2){1|H<1>,1|N<2>,1|N<3>,1|S<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[5a,6]){2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6]S[6])(C[5a,6]N[5a]N[6])(S[6]C[6,6a]){1|H<1>,1|N<2>,3|C<3>}	100.5510	0.062	2	100.5510	0.004	2	101.3773	0.993	4	101.8810	2.014	5	102.2580	6.106	14	102.2580	6.106	14
286	643	762	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[6,6]	3:3:	3:2:2:	3:3:2:	C[6,6a]-3:C[6,6]-3:	C[6,6a]-3:N[6a]-2:S[6]-2:	C[6]-3:C[6,6]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]C[6])	C[6,6a](C[6,6a]N[6a]N[6])(N[6a]C[6a])(S[6]C[6,6])	C[6,6](C[6]C[5a,6]H)(C[6,6]N[6]2)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]C[6]){1|H<1>,1|N<3>,2|C<3>,2|N<2>}	C[6,6a](C[6,6a]N[6a]N[6])(N[6a]C[6a])(S[6]C[6,6]){1|Cl<1>,3|C<3>}	C[6,6](C[6]C[5a,6]H)(C[6,6]N[6]2)(S[6]C[6,6a]){1|C<4>,1|N<2>,1|S<2>,2|C<3>}	102.0210	0.000	1	102.0210	0.000	1	102.0210	0.000	1	102.0210	0.000	1	102.8497	1.891	6	102.5189	5.825	77
286	643	762	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[6,6]	3:3:	3:3:2:	3:2:2:	C[6,6a]-3:C[6,6]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	N[6,6]-3:S[6]-2:N[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]N[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6])	C[6,6](N[6,6]C[6]2)(S[6]C[6,6a])(N[6]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]N[6]){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6]){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	C[6,6](N[6,6]C[6]2)(S[6]C[6,6a])(N[6]C[6]){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	104.3835	0.207	2	104.3835	0.043	2	104.3835	0.043	2	104.3835	0.043	2	102.8497	1.891	6	102.5189	5.825	77
286	643	762	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[6,6]	3:3:	3:3:2:	3:2:3:	C[6,6a]-3:C[6,6]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6]-3:S[6]-2:C[6]-3:	S[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6])	C[6,6](C[6,6]C[6]N[6])(S[6]C[6,6a])(C[6]C[6]O)	S[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6]){3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]N[6])(S[6]C[6,6a])(C[6]C[6]O){1|C<4>,2|C<3>,5|H<1>}	100.9000	0.000	1	100.9000	0.000	1	100.9000	0.000	1	100.9000	0.000	1	102.8497	1.891	6	102.5189	5.825	77
286	643	762	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[6,6]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6]-3:C[6]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6])	C[6,6](C[6,6]C[6]N[6])(C[6]C[5,6]H)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6]){2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[5,6]H)(S[6]C[6,6a]){1|H<1>,1|N<3>,4|C<3>}	102.4080	0.000	1	102.4080	0.000	1	102.4080	0.000	1	102.7050	0.176	2	102.8497	1.891	6	102.5189	5.825	77
286	643	762	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[6,6]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6]-3:C[6,6]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6])	C[6,6](C[6]C[5a,6]H)(C[6,6]N[6]2)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6]){1|Cl<1>,1|H<1>,3|C<3>}	C[6,6](C[6]C[5a,6]H)(C[6,6]N[6]2)(S[6]C[6,6a]){1|C<4>,1|S<2>,3|C<3>}	103.0020	0.000	1	103.0020	0.000	1	103.0020	0.000	1	102.7050	0.176	2	102.8497	1.891	6	102.5189	5.825	77
286	643	762	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[6]	3:3:	3:2:2:	2:3:2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:N[6a]-2:S[6]-2:	S[6]-2:C[6]-3:S-2:	S[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]S)	C[6,6a](C[6,6a]N[6a]S[6])(N[6a]C[6a,6a])(S[6]C[6])	C[6](S[6]C[6,6a])(C[6]S[6]S)(SC)	S[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]S){1|C<3>,1|N<2>,2|S<2>}	C[6,6a](C[6,6a]N[6a]S[6])(N[6a]C[6a,6a])(S[6]C[6]){1|S<2>,3|C<3>}	C[6](S[6]C[6,6a])(C[6]S[6]S)(SC){1|C<3>,1|N<2>}	103.3330	0.000	1	103.3330	0.000	1	101.2424	2.001	5	101.2424	2.001	5	102.4909	6.180	71	102.5189	5.825	77
286	643	762	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[6]	3:3:	3:2:2:	2:3:2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:N[6a]-2:S[6]-2:	S[6]-2:C[6]-3:S-2:	S[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]S)	C[6,6a](C[6,6a]N[6a]S[6])(N[6a]C[6a,6a])(S[6]C[6])	C[6](S[6]C[6,6a])(C[6]S[6]S)(SPt)	S[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]S){1|C<3>,1|N<2>,2|S<2>}	C[6,6a](C[6,6a]N[6a]S[6])(N[6a]C[6a,6a])(S[6]C[6]){1|S<2>,3|C<3>}	C[6](S[6]C[6,6a])(C[6]S[6]S)(SPt){1|C<3>,1|N<2>}	100.7198	0.921	4	100.7198	0.848	4	101.2424	2.001	5	101.2424	2.001	5	102.4909	6.180	71	102.5189	5.825	77
286	643	762	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:2:2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6]-2:N[6]-2:N-2:	S[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6])	C[6](S[6]C[6,6a])(N[6]S[6])(NC)	S[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N){1|H<1>,1|S<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<3>,2|H<1>,2|N<2>,2|O<1>}	C[6](S[6]C[6,6a])(N[6]S[6])(NC){2|C<3>,2|O<1>}	102.6900	0.000	1	102.6900	0.000	1	102.6900	0.000	1	99.0146	27.016	2	102.4909	6.180	71	102.5189	5.825	77
286	643	762	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:2:2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6]-2:N[6]-2:S-2:	S[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]S)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]C)(S[6]C[6])	C[6](S[6]C[6,6a])(N[6]N[6])(SC)	S[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]S){1|C<4>,1|N<3>,2|N<2>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]C)(S[6]C[6]){1|N<2>,1|S<2>,2|C<3>}	C[6](S[6]C[6,6a])(N[6]N[6])(SC){3|C<3>}	95.3393	0.000	1	95.3393	0.000	1	95.3393	0.000	1	99.0146	27.016	2	102.4909	6.180	71	102.5189	5.825	77
286	643	762	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:2:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6]-2:Se[6]-2:C-3:	S[6](C[6,6a]C[6,6a]C[6a])(C[6]Se[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	C[6](S[6]C[6,6a])(Se[6]C[6])(CSiC)	S[6](C[6,6a]C[6,6a]C[6a])(C[6]Se[6]C){1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){1|Se<2>,2|C<3>,4|H<1>}	C[6](S[6]C[6,6a])(Se[6]C[6])(CSiC){2|C<3>,2|H<1>}	105.1470	0.000	1	105.1470	0.000	1	105.1470	0.000	1	105.1470	0.000	1	102.4909	6.180	71	102.5189	5.825	77
286	643	762	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6]-2:C[6]-3:S-1:	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	C[6](S[6]C[6,6a])(C[6]C[6]H)(S)	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){1|S<1>,2|C<3>,3|H<1>}	C[6](S[6]C[6,6a])(C[6]C[6]H)(S){1|H<1>,2|C<3>}	106.1410	0.000	1	106.1410	0.000	1	106.1410	0.000	1	104.6115	4.679	2	102.4909	6.180	71	102.5189	5.825	77
286	643	762	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6]-2:N[6]-3:S-1:	S[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]S)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	C[6](S[6]C[6,6a])(N[6]C[6]C)(S)	S[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]S){1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<3>,1|N<3>,1|S<1>,4|H<1>}	C[6](S[6]C[6,6a])(N[6]C[6]C)(S){2|C<3>,2|H<1>}	103.0820	0.000	1	103.0820	0.000	1	103.0820	0.000	1	104.6115	4.679	2	102.4909	6.180	71	102.5189	5.825	77
286	643	762	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6]-2:C[6]-3:N-2:	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6])	C[6](S[6]C[6,6a])(C[6]N[6]N)(NO)	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6]){1|N<2>,2|C<3>,3|H<1>}	C[6](S[6]C[6,6a])(C[6]N[6]N)(NO){1|H<1>,2|C<3>}	102.0990	0.000	1	102.0990	0.000	1	102.0990	0.000	1	101.6100	3.100	14	102.4909	6.180	71	102.5189	5.825	77
286	643	762	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6]-2:C[6]-3:S-2:	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6])	C[6](S[6]C[6,6a])(C[6]S[6]S)(SNi)	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S){1|H<1>,2|C<3>,2|S<2>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[6](S[6]C[6,6a])(C[6]S[6]S)(SNi){2|C<3>}	101.0473	0.626	4	100.7181	0.821	10	100.7181	0.821	10	101.6100	3.100	14	102.4909	6.180	71	102.5189	5.825	77
286	643	762	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6]-2:C[6]-3:S-2:	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6])	C[6](S[6]C[6,6a])(C[6]S[6]S)(SNi)	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S){1|H<1>,2|C<3>,2|S<2>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6]){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[6](S[6]C[6,6a])(C[6]S[6]S)(SNi){2|C<3>}	99.9624	0.792	4	100.7181	0.821	10	100.7181	0.821	10	101.6100	3.100	14	102.4909	6.180	71	102.5189	5.825	77
286	643	762	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6]-2:C[6]-3:S-2:	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6])	C[6](S[6]C[6,6a])(C[6]S[6]S)(SNi)	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S){1|H<1>,2|C<3>,2|S<2>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6]){1|S<2>,2|C<3>,2|H<1>}	C[6](S[6]C[6,6a])(C[6]S[6]S)(SNi){2|C<3>}	101.5715	0.397	2	100.7181	0.821	10	100.7181	0.821	10	101.6100	3.100	14	102.4909	6.180	71	102.5189	5.825	77
286	643	762	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6]-2:N[6]-3:N-2:	S[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a,6a]H)(S[6]C[6])	C[6](S[6]C[6,6a])(N[6]S[6]C)(NC[6a])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a,6a]H)(S[6]C[6]){1|H<1>,1|N<2>,1|N<3>,2|C<3>,2|O<1>}	C[6](S[6]C[6,6a])(N[6]S[6]C)(NC[6a]){2|C<3>,2|O<1>}	105.2370	0.000	1	105.2370	0.000	1	104.4200	0.516	3	101.6100	3.100	14	102.4909	6.180	71	102.5189	5.825	77
286	643	762	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6]-2:N[6]-3:N-2:	S[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6])	C[6](S[6]C[6,6a])(N[6]S[6]C)(NC[6a])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|O<1>}	C[6](S[6]C[6,6a])(N[6]S[6]C)(NC[6a]){2|C<3>,2|O<1>}	104.0115	0.177	2	104.0115	0.032	2	104.4200	0.516	3	101.6100	3.100	14	102.4909	6.180	71	102.5189	5.825	77
286	643	762	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6]-2:C[6]-3:C-3:	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6])	C[6](S[6]C[6,6a])(C[6]N[6]C)(CCO)	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6]){3|C<3>,3|H<1>}	C[6](S[6]C[6,6a])(C[6]N[6]C)(CCO){1|H<1>,2|C<3>}	102.1800	0.000	1	102.1800	0.000	1	100.9670	3.394	18	101.8902	5.152	25	102.4909	6.180	71	102.5189	5.825	77
286	643	762	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6]-2:C[6]-3:C-3:	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6])	C[6](S[6]C[6,6a])(C[6]N[6]H)(CC[6a]O)	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,2|H<1>,3|C<3>}	C[6](S[6]C[6,6a])(C[6]N[6]H)(CC[6a]O){1|C<4>,2|C<3>}	99.9763	0.000	1	99.9763	0.000	1	100.9670	3.394	18	101.8902	5.152	25	102.4909	6.180	71	102.5189	5.825	77
286	643	762	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6]-2:C[6]-3:C-3:	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6])	C[6](S[6]C[6,6a])(C[6]N[6]O)(CC[6a]H)	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6]){2|H<1>,3|C<3>}	C[6](S[6]C[6,6a])(C[6]N[6]O)(CC[6a]H){2|C<3>}	103.2860	0.000	1	100.9531	3.682	16	100.9670	3.394	18	101.8902	5.152	25	102.4909	6.180	71	102.5189	5.825	77
286	643	762	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6]-2:C[6]-3:C-3:	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6])	C[6](S[6]C[6,6a])(C[6]N[6]O)(CC[6a]H)	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,2|H<1>,3|C<3>}	C[6](S[6]C[6,6a])(C[6]N[6]O)(CC[6a]H){1|C<4>,2|C<3>}	100.7976	1.879	15	100.9531	3.682	16	100.9670	3.394	18	101.8902	5.152	25	102.4909	6.180	71	102.5189	5.825	77
286	643	762	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6]-2:N[6]-3:C-3:	S[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	C[6](S[6]C[6,6a])(N[6]C[6]S)(CCH)	S[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){1|N<3>,3|C<3>,3|H<1>}	C[6](S[6]C[6,6a])(N[6]C[6]S)(CCH){1|H<1>,3|C<3>}	102.3110	0.000	1	102.3110	0.000	1	104.2640	1.862	7	101.8902	5.152	25	102.4909	6.180	71	102.5189	5.825	77
286	643	762	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6]-2:N[6]-3:C-3:	S[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	C[6](S[6]C[6,6a])(N[6]C[6]S)(CHS)	S[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](S[6]C[6,6a])(N[6]C[6]S)(CHS){1|C<4>,1|H<1>,2|C<3>}	102.6810	0.000	1	102.6810	0.000	1	104.2640	1.862	7	101.8902	5.152	25	102.4909	6.180	71	102.5189	5.825	77
286	643	762	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6]-2:N[6]-3:C-3:	S[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6])	C[6](S[6]C[6,6a])(N[6]S[6]C)(CC[6a]H)	S[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[6](S[6]C[6,6a])(N[6]S[6]C)(CC[6a]H){2|C<3>,2|O<1>}	105.2830	0.873	3	104.9712	0.588	5	104.2640	1.862	7	101.8902	5.152	25	102.4909	6.180	71	102.5189	5.825	77
286	643	762	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6]-2:N[6]-3:C-3:	S[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6])	C[6](S[6]C[6,6a])(N[6]S[6]C)(CC[6a]H)	S[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[6]){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|O<1>}	C[6](S[6]C[6,6a])(N[6]S[6]C)(CC[6a]H){2|C<3>,2|O<1>}	104.5035	0.319	2	104.9712	0.588	5	104.2640	1.862	7	101.8902	5.152	25	102.4909	6.180	71	102.5189	5.825	77
286	643	762	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:4:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6]-2:N[6]-3:C-4:	S[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]Si[6])(C[6a]C[6a]H)(S[6]C[6])	C[6](S[6]C[6,6a])(N[6]Si[6]V)(CH3)	S[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C){1|Si<5>,1|H<1>,1|V<8>,2|C<3>}	C[6,6a](C[6,6a]C[6a]Si[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,1|N<3>,1|V<8>,2|H<1>,3|C<3>}	C[6](S[6]C[6,6a])(N[6]Si[6]V)(CH3){4|C<3>}	107.8860	0.000	1	107.8860	0.000	1	107.8860	0.000	1	107.8860	0.000	1	102.4909	6.180	71	102.5189	5.825	77
286	643	762	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:4:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6]-2:C[6]-4:C-3:	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	C[6](S[6]C[6,6a])(C[6]C[6]HH)(CC[6a]P[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](S[6]C[6,6a])(C[6]C[6]HH)(CC[6a]P[6]){1|H<1>,1|O<2>,2|C<3>}	104.6057	0.547	3	104.6057	0.299	3	103.5763	2.096	6	103.4836	1.999	8	102.4909	6.180	71	102.5189	5.825	77
286	643	762	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:4:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6]-2:C[6]-4:C-3:	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	C[6](S[6]C[6,6a])(C[6]C[6]HH)(CP[6]C)	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](S[6]C[6,6a])(C[6]C[6]HH)(CP[6]C){1|H<1>,1|O<2>,2|C<3>}	104.0660	0.000	1	104.0660	0.000	1	103.5763	2.096	6	103.4836	1.999	8	102.4909	6.180	71	102.5189	5.825	77
286	643	762	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:4:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6]-2:C[6]-4:C-3:	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(S[6]C[6])	C[6](S[6]C[6,6a])(C[6]O[6]HH)(CCC)	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,2|C<3>,2|H<1>}	C[6](S[6]C[6,6a])(C[6]O[6]HH)(CCC){2|C<3>}	101.9630	0.000	1	101.9630	0.000	1	103.5763	2.096	6	103.4836	1.999	8	102.4909	6.180	71	102.5189	5.825	77
286	643	762	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:4:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6]-2:C[6]-4:C-3:	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(S[6]C[6])	C[6](S[6]C[6,6a])(C[6]O[6]HH)(CC[6a]C)	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,2|C<3>,2|H<1>}	C[6](S[6]C[6,6a])(C[6]O[6]HH)(CC[6a]C){2|C<3>}	101.6120	0.000	1	101.6120	0.000	1	103.5763	2.096	6	103.4836	1.999	8	102.4909	6.180	71	102.5189	5.825	77
286	643	762	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:4:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	S[6]-2:C[6]-4:C[5]-3:	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	C[6](S[6]C[6,6a])(C[6]C[6]HH)(C[5]C[5]2)	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]){2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	C[6](S[6]C[6,6a])(C[6]C[6]HH)(C[5]C[5]2){2|C<4>,3|C<3>,4|H<1>}	103.2055	1.818	2	103.2055	3.305	2	103.2055	3.305	2	103.4836	1.999	8	102.4909	6.180	71	102.5189	5.825	77
286	643	762	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6]-3:S[6]-2:H-1:	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6])	C[6](C[6]C[6a]N[6])(S[6]C[6,6a])(H)	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<2>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6])(S[6]C[6,6a])(H){1|C<2>,4|C<3>}	99.7425	0.000	1	99.5122	0.106	2	99.5122	0.106	2	99.5122	0.106	2	102.4909	6.180	71	102.5189	5.825	77
286	643	762	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6]-3:S[6]-2:H-1:	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6])	C[6](C[6]C[6a]N[6])(S[6]C[6,6a])(H)	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6])(S[6]C[6,6a])(H){1|C<2>,4|C<3>}	99.2819	0.000	1	99.5122	0.106	2	99.5122	0.106	2	99.5122	0.106	2	102.4909	6.180	71	102.5189	5.825	77
286	643	762	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6]-3:S[6]-2:N-2:	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6])	C[6](C[6]C[6a]N[6])(S[6]C[6,6a])(NC[6a])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[6a]N[6])(S[6]C[6,6a])(NC[6a]){4|C<3>}	101.8440	0.000	1	101.8440	0.000	1	101.8440	0.000	1	103.9185	8.607	2	102.4909	6.180	71	102.5189	5.825	77
286	643	762	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	N[5a,6]-3:S[6]-2:N-2:	S[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]N)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(S[6]C[6])	C[6](N[5a,6]C[5a,6a]C[5a,6])(S[6]C[6,6a])(NC)	S[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]N){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(S[6]C[6]){1|C<3>,1|N<3>,2|H<1>,2|N<2>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(S[6]C[6,6a])(NC){1|N<2>,4|C<3>}	105.9930	0.000	1	105.9930	0.000	1	105.9930	0.000	1	103.9185	8.607	2	102.4909	6.180	71	102.5189	5.825	77
286	643	762	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6a]-3:S[6]-2:C[6]-3:	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]H)	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]H){1|N<2>,2|H<1>,4|C<3>}	102.9000	0.000	1	102.9000	0.000	1	102.9000	0.000	1	103.8273	0.652	3	102.4909	6.180	71	102.5189	5.825	77
286	643	762	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	N[5a,6]-3:S[6]-2:C-3:	S[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(S[6]C[6])	C[6](N[5a,6]C[5a,6]N[5a])(S[6]C[6,6a])(CCH)	S[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C){1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(S[6]C[6]){1|N<3>,2|H<1>,3|C<3>}	C[6](N[5a,6]C[5a,6]N[5a])(S[6]C[6,6a])(CCH){4|C<3>}	104.2910	0.119	2	104.2910	0.014	2	104.2910	0.014	2	103.8273	0.652	3	102.4909	6.180	71	102.5189	5.825	77
286	643	762	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[5,6]-3:C[6a]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a])	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[6]C[6])	C[6](C[5,6]C[5,6a]N[5,6])(C[6a]C[6a]2)(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]){1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[6]C[6]){1|H<1>,1|O<2>,4|C<3>}	C[6](C[5,6]C[5,6a]N[5,6])(C[6a]C[6a]2)(S[6]C[6,6a]){1|C<4>,1|H<1>,7|C<3>}	103.0090	0.000	1	103.0090	0.000	1	103.0090	0.000	1	103.0090	0.000	1	102.4909	6.180	71	102.5189	5.825	77
286	643	762	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[6]	3:3:	3:3:2:	4:2:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[4,6]-4:S[6]-2:O-1:	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(S[6]C[6])	C[6](C[4,6]C[4,6]2H)(S[6]C[6,6a])(O)	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(S[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[4,6]C[4,6]2H)(S[6]C[6,6a])(O){1|C<4>,2|H<1>,3|C<3>}	106.2885	0.639	4	106.2885	0.408	4	106.2885	0.408	4	106.2885	0.408	4	102.4909	6.180	71	102.5189	5.825	77
286	643	762	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[6]	3:3:	3:3:2:	4:2:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6]-4:S[6]-2:C-3:	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	C[6](C[6]C[6a]C[6]P[6])(S[6]C[6,6a])(CHH)	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|C<4>,1|H<1>,1|P<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]P[6])(S[6]C[6,6a])(CHH){1|H<1>,1|O<1>,3|O<2>,4|C<3>}	106.1870	0.000	1	106.1870	0.000	1	106.1870	0.000	1	106.1870	0.000	1	102.4909	6.180	71	102.5189	5.825	77
286	643	818	6:SP2_SP2_SP2	S[6]	C[6,6a]	C[5,6]	3:3:	3:3:2:	3:2:2:	C[6,6a]-3:C[5,6]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[5,6]-3:S[6]-2:S[5]-2:	S[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]S[5])	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[5,6])	C[5,6](C[5,6]S[5]S[6])(S[6]C[6,6a])(S[5]C[5])	S[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]S[5]){1|H<1>,2|S<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(S[6]C[5,6]){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[5,6](C[5,6]S[5]S[6])(S[6]C[6,6a])(S[5]C[5]){3|C<3>}	100.4307	0.619	6	100.4307	0.383	6	100.4307	0.383	6	100.4307	0.383	6	100.4307	0.383	6	100.4307	0.383	6
286	643	849	6:SP2_SP2_SP3	S[6]	C[6,6a]	P[6]	3:4:	3:3:2:	3:2:2:1:	C[6,6a]-3:P[6]-4:	C[6,6a,6a]-3:C[6a]-3:S[6]-2:	C[6a]-3:S[6]-2:S[6]-2:Se-1:	S[6](C[6,6a]C[6,6a,6a]C[6a])(P[6]C[6a]S[6]Se)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(S[6]P[6])	P[6](C[6a]C[6a]2)(S[6]C[6,6a])2(Se)	S[6](C[6,6a]C[6,6a,6a]C[6a])(P[6]C[6a]S[6]Se){1|H<1>,5|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(S[6]P[6]){1|Se<1>,1|H<1>,1|S<2>,4|C<3>}	P[6](C[6a]C[6a]2)(S[6]C[6,6a])2(Se){2|H<1>,5|C<3>}	101.3200	0.386	2	101.3200	0.149	2	101.3200	0.149	2	101.3200	0.149	2	101.3200	0.149	2	101.3200	0.149	2
286	643	914	6:SP2_SP2_SP2	S[6]	C[6,6a]	N[6]	3:2:	3:3:2:	3:2:	C[6,6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6])	N[6](C[6]C[5a]N[6])(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]){2|C<3>,3|H<1>}	N[6](C[6]C[5a]N[6])(S[6]C[6,6a]){1|H<1>,1|S<2>,3|C<3>}	101.0770	0.000	1	101.0770	0.000	1	103.8041	2.230	21	103.8041	2.230	21	103.8041	2.230	21	103.8041	2.230	21
286	643	914	6:SP2_SP2_SP2	S[6]	C[6,6a]	N[6]	3:2:	3:3:2:	3:2:	C[6,6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6])	N[6](C[6]C[6a]N[6])(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]){1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]){2|C<3>,2|H<1>}	N[6](C[6]C[6a]N[6])(S[6]C[6,6a]){4|C<3>}	105.1860	0.000	1	103.6515	1.280	18	103.8041	2.230	21	103.8041	2.230	21	103.8041	2.230	21	103.8041	2.230	21
286	643	914	6:SP2_SP2_SP2	S[6]	C[6,6a]	N[6]	3:2:	3:3:2:	3:2:	C[6,6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6])	N[6](C[6]C[6a]N[6])(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]){2|C<3>,3|H<1>}	N[6](C[6]C[6a]N[6])(S[6]C[6,6a]){1|H<1>,1|N<2>,3|C<3>}	104.0779	0.486	7	103.6515	1.280	18	103.8041	2.230	21	103.8041	2.230	21	103.8041	2.230	21	103.8041	2.230	21
286	643	914	6:SP2_SP2_SP2	S[6]	C[6,6a]	N[6]	3:2:	3:3:2:	3:2:	C[6,6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6])	N[6](C[6]C[6a]N[6])(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]){2|C<3>,3|H<1>}	N[6](C[6]C[6a]N[6])(S[6]C[6,6a]){1|H<1>,4|C<3>}	103.1996	1.277	10	103.6515	1.280	18	103.8041	2.230	21	103.8041	2.230	21	103.8041	2.230	21	103.8041	2.230	21
286	643	914	6:SP2_SP2_SP2	S[6]	C[6,6a]	N[6]	3:2:	3:3:2:	3:2:	C[6,6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6]-3:S[6]-2:	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[5,6a]H)(S[6]N[6])	N[6](C[6]C[6a]N[6])(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[5,6a]H)(S[6]N[6]){1|C<4>,1|S<2>,2|C<3>}	N[6](C[6]C[6a]N[6])(S[6]C[6,6a]){4|C<3>}	106.5410	0.000	2	106.5410	0.000	2	103.8041	2.230	21	103.8041	2.230	21	103.8041	2.230	21	103.8041	2.230	21
286	643	922	6:SP2_SP2_SP3	S[6]	C[6,6a]	S[6]	3:3:	3:3:2:	2:2:1:	C[6,6a]-3:S[6]-3:	C[6,6a,6a]-3:C[6a]-3:S[6]-2:	S[6]-2:S[6]-2:O-1:	S[6](C[6,6a]C[6,6a,6a]C[6a])(S[6]S[6]O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]C)(S[6]S[6])	S[6](S[6]C[6,6a])2(O)	S[6](C[6,6a]C[6,6a,6a]C[6a])(S[6]S[6]O){1|C<4>,3|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]C)(S[6]S[6]){1|H<1>,1|O<1>,1|S<2>,3|C<3>}	S[6](S[6]C[6,6a])2(O){3|C<3>}	104.1446	8.589	2	104.1446	73.772	2	102.5749	17.654	6	102.5749	17.654	6	102.5749	17.654	6	102.5749	17.654	6
286	643	922	6:SP2_SP2_SP3	S[6]	C[6,6a]	S[6]	3:3:	3:3:2:	2:2:1:	C[6,6a]-3:S[6]-3:	C[6,6a,6a]-3:C[6a]-3:S[6]-2:	S[6]-2:S[6]-2:O-1:	S[6](C[6,6a]C[6,6a,6a]C[6a])(S[6]S[6]O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(S[6]S[6])	S[6](S[6]C[6,6a])2(O)	S[6](C[6,6a]C[6,6a,6a]C[6a])(S[6]S[6]O){1|H<1>,3|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(S[6]S[6]){1|H<1>,1|O<1>,1|S<2>,3|C<3>}	S[6](S[6]C[6,6a])2(O){3|C<3>}	101.7900	1.539	4	101.7900	2.369	4	102.5749	17.654	6	102.5749	17.654	6	102.5749	17.654	6	102.5749	17.654	6
286	658	658	6:SP3_SP3_SP3	S[6,6]	Si[3x6]	Si[3x6]	4:4:	2:2:2:3:	2:2:2:3:	Si[3x6]-4:Si[3x6]-4:	S[6,6]-2:S[6,6]-2:S[6,6]-2:C[6a]-3:	S[6,6]-2:S[6,6]-2:S[6,6]-2:C[6a]-3:	S[6,6](Si[3x6]S[6,6]2C[6a])2	Si[3x6](S[6,6]Si[3x6])3(C[6a]C[6a]2)	Si[3x6](S[6,6]Si[3x6])3(C[6a]C[6a]2)	S[6,6](Si[3x6]S[6,6]2C[6a])2{2|Si<4>,4|C<3>}	Si[3x6](S[6,6]Si[3x6])3(C[6a]C[6a]2){2|H<1>,3|S<2>,5|C<3>}	Si[3x6](S[6,6]Si[3x6])3(C[6a]C[6a]2){2|H<1>,3|S<2>,5|C<3>}	103.3858	0.574	5	103.3858	0.329	5	103.3858	0.329	5	103.3858	0.329	5	103.3858	0.329	5	103.3858	0.329	5
286	727	727	6:SP2_SP2_SP2	S[6]	C[5a,6]	C[5a,6]	3:3:	3:2:2:	3:2:2:	C[5a,6]-3:C[5a,6]-3:	C[5a,6]-3:S[5a]-2:S[6]-2:	C[5a,6]-3:S[5a]-2:S[6]-2:	S[6](C[5a,6]C[5a,6]S[5a])2	C[5a,6](C[5a,6]C[5a,6a]N[6])(S[5a]C[5a,6a])(S[6]C[5a,6])	C[5a,6](C[5a,6]C[5a,6a]N[6])(S[5a]C[5a,6a])(S[6]C[5a,6])	S[6](C[5a,6]C[5a,6]S[5a])2{1|N<3>,4|C<3>}	C[5a,6](C[5a,6]C[5a,6a]N[6])(S[5a]C[5a,6a])(S[6]C[5a,6]){1|S<2>,4|C<3>}	C[5a,6](C[5a,6]C[5a,6a]N[6])(S[5a]C[5a,6a])(S[6]C[5a,6]){1|S<2>,4|C<3>}	94.7723	0.000	1	94.7723	0.000	1	94.7723	0.000	1	94.5289	0.055	4	96.6234	18.885	6	96.6234	18.885	6
286	727	727	6:SP2_SP2_SP2	S[6]	C[5a,6]	C[5a,6]	3:3:	3:2:2:	3:2:2:	C[5a,6]-3:C[5a,6]-3:	C[5a,6]-3:S[6]-2:S[5a]-2:	C[5a,6]-3:S[6]-2:S[5a]-2:	S[6](C[5a,6]C[5a,6]S[5a])2	C[5a,6](C[5a,6]C[5a]N[6])(S[6]C[5a,6])(S[5a]C[5a])	C[5a,6](C[5a,6]C[5a]N[6])(S[6]C[5a,6])(S[5a]C[5a])	S[6](C[5a,6]C[5a,6]S[5a])2{1|N<3>,4|C<3>}	C[5a,6](C[5a,6]C[5a]N[6])(S[6]C[5a,6])(S[5a]C[5a]){1|S<2>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a]N[6])(S[6]C[5a,6])(S[5a]C[5a]){1|S<2>,2|C<3>,2|H<1>}	94.4477	0.206	3	94.4477	0.042	3	94.4477	0.042	3	94.5289	0.055	4	96.6234	18.885	6	96.6234	18.885	6
286	727	727	6:SP2_SP2_SP2	S[6]	C[5a,6]	C[5a,6]	3:3:	3:3:2:	3:2:2:	C[5a,6]-3:C[5a,6]-3:	C[5a,6a]-3:C[5a,6]-3:S[6]-2:	C[5a,6]-3:S[5a]-2:S[6]-2:	S[6](C[5a,6]C[5a,6a]C[5a,6])(C[5a,6]C[5a,6]S[5a])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]N[6])(S[6]C[5a,6])	C[5a,6](C[5a,6]C[5a,6a]N[6])(S[5a]C[5a,6a])(S[6]C[5a,6])	S[6](C[5a,6]C[5a,6a]C[5a,6])(C[5a,6]C[5a,6]S[5a]){1|N<3>,1|S<2>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]N[6])(S[6]C[5a,6]){1|H<1>,1|S<2>,4|C<3>}	C[5a,6](C[5a,6]C[5a,6a]N[6])(S[5a]C[5a,6a])(S[6]C[5a,6]){5|C<3>}	96.2508	0.000	1	96.2508	0.000	1	96.2508	0.000	1	96.2508	0.000	1	96.6234	18.885	6	96.6234	18.885	6
286	727	727	6:SP2_SP2_SP2	S[6]	C[5a,6]	C[5a,6]	3:3:	3:3:2:	3:3:2:	C[5a,6]-3:C[5a,6]-3:	C[5a,6]-3:C[5a,5a]-3:S[6]-2:	C[5a,6]-3:C[5a,5a]-3:S[6]-2:	S[6](C[5a,6]C[5a,5a]C[5a,6])2	C[5a,6](C[5a,6]Si[6,6]S[5a])(C[5a,5a]C[5a,5a]2)(S[6]C[5a,6])	C[5a,6](C[5a,6]Si[6,6]S[5a])(C[5a,5a]C[5a,5a]2)(S[6]C[5a,6])	S[6](C[5a,6]C[5a,5a]C[5a,6])2{1|Si<4>,2|S<2>,4|C<3>}	C[5a,6](C[5a,6]Si[6,6]S[5a])(C[5a,5a]C[5a,5a]2)(S[6]C[5a,6]){1|S<2>,6|C<3>}	C[5a,6](C[5a,6]Si[6,6]S[5a])(C[5a,5a]C[5a,5a]2)(S[6]C[5a,6]){1|S<2>,6|C<3>}	105.3740	0.000	1	105.3740	0.000	1	105.3740	0.000	1	105.3740	0.000	1	96.6234	18.885	6	96.6234	18.885	6
286	727	762	6:SP2_SP2_SP2	S[6]	C[5a,6]	C[6]	3:3:	3:2:2:	2:3:2:	C[5a,6]-3:C[6]-3:	N[5a,6]-3:N[5a]-2:S[6]-2:	S[6]-2:C[6]-3:N-2:	S[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]N)	C[5a,6](N[5a,6]C[5a]N[6])(N[5a]N[5a])(S[6]C[6])	C[6](S[6]C[5a,6])(C[6]N[6]C)(NN)	S[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]N){1|C<3>,1|C<4>,2|N<2>}	C[5a,6](N[5a,6]C[5a]N[6])(N[5a]N[5a])(S[6]C[6]){1|N<2>,2|C<3>}	C[6](S[6]C[5a,6])(C[6]N[6]C)(NN){1|N<2>,1|N<3>}	98.0707	0.142	2	98.0707	0.020	2	98.0707	0.020	2	98.0707	0.020	2	98.8675	5.047	12	98.8675	5.047	12
286	727	762	6:SP2_SP2_SP2	S[6]	C[5a,6]	C[6]	3:3:	3:2:2:	3:2:3:	C[5a,6]-3:C[6]-3:	N[5a,6]-3:N[5a]-2:S[6]-2:	C[6,6a]-3:S[6]-2:C-3:	S[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6,6a]C)	C[5a,6](N[5a,6]C[6,6a]N[5a])(N[5a]N[5a])(S[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[5a,6])(CC[6a]H)	S[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6,6a]C){2|C<3>,2|N<2>}	C[5a,6](N[5a,6]C[6,6a]N[5a])(N[5a]N[5a])(S[6]C[6]){3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[5a,6])(CC[6a]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	98.5646	0.000	1	98.5646	0.000	1	98.5646	0.000	1	97.6415	3.047	3	98.8675	5.047	12	98.8675	5.047	12
286	727	762	6:SP2_SP2_SP2	S[6]	C[5a,6]	C[6]	3:3:	3:2:2:	3:2:3:	C[5a,6]-3:C[6]-3:	N[5a,6]-3:N[5a]-2:S[6]-2:	C[6]-3:S[6]-2:C-3:	S[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]C)	C[5a,6](N[5a,6]C[5a]N[6])(N[5a]N[5a])(S[6]C[6])	C[6](C[6]C[5a]N[6])(S[6]C[5a,6])(CC[6a]H)	S[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]C){2|C<3>,2|N<2>}	C[5a,6](N[5a,6]C[5a]N[6])(N[5a]N[5a])(S[6]C[6]){1|C<4>,2|C<3>}	C[6](C[6]C[5a]N[6])(S[6]C[5a,6])(CC[6a]H){1|C<3>,1|N<2>,1|N<3>,1|S<2>}	95.6281	0.000	1	95.6281	0.000	1	97.1800	4.816	2	97.6415	3.047	3	98.8675	5.047	12	98.8675	5.047	12
286	727	762	6:SP2_SP2_SP2	S[6]	C[5a,6]	C[6]	3:3:	3:2:2:	3:2:3:	C[5a,6]-3:C[6]-3:	N[5a,6]-3:N[5a]-2:S[6]-2:	C[6]-3:S[6]-2:C-3:	S[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]C)	C[5a,6](N[5a,6]C[5a]N[6])(N[5a]N[5a])(S[6]C[6])	C[6](C[6]C[6a]N[6])(S[6]C[5a,6])(CCH)	S[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]C){2|C<3>,2|N<2>}	C[5a,6](N[5a,6]C[5a]N[6])(N[5a]N[5a])(S[6]C[6]){3|C<3>}	C[6](C[6]C[6a]N[6])(S[6]C[5a,6])(CCH){1|N<2>,1|N<3>,2|C<3>}	98.7318	0.000	1	98.7318	0.000	1	97.1800	4.816	2	97.6415	3.047	3	98.8675	5.047	12	98.8675	5.047	12
286	727	762	6:SP2_SP2_SP2	S[6]	C[5a,6]	C[6]	3:3:	3:2:2:	3:3:2:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:S[5a]-2:S[6]-2:	C[6]-3:C[6a]-3:S[6]-2:	S[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6a]C[6])	C[5a,6](C[5a,6]S[5a]S[6])(S[5a]C[5a])(S[6]C[6])	C[6](C[6]C[6a]S[6])(C[6a]C[6a]2)(S[6]C[5a,6])	S[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6a]C[6]){2|S<2>,4|C<3>}	C[5a,6](C[5a,6]S[5a]S[6])(S[5a]C[5a])(S[6]C[6]){1|O<1>,2|C<3>}	C[6](C[6]C[6a]S[6])(C[6a]C[6a]2)(S[6]C[5a,6]){1|S<2>,2|H<1>,5|C<3>}	100.3415	0.391	2	100.3415	0.153	2	100.3415	0.153	2	100.3415	0.153	2	98.8675	5.047	12	98.8675	5.047	12
286	727	762	6:SP2_SP2_SP2	S[6]	C[5a,6]	C[6]	3:3:	3:3:2:	2:3:1:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:S[6]-2:	S[6]-2:C[6]-3:H-1:	S[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)	C[5a,6](C[5a,6]C[5a]S[6])(C[5a]S[5a]Br)(S[6]C[6])	C[6](S[6]C[5a,6])(C[6]S[6]C)(H)	S[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H){1|Br<1>,1|C<3>,1|C<4>,2|S<2>}	C[5a,6](C[5a,6]C[5a]S[6])(C[5a]S[5a]Br)(S[6]C[6]){1|Br<1>,1|C<3>,1|H<1>}	C[6](S[6]C[5a,6])(C[6]S[6]C)(H){2|C<3>}	101.0830	0.000	1	101.0830	0.000	1	101.0830	0.000	1	98.3879	14.527	2	98.8675	5.047	12	98.8675	5.047	12
286	727	762	6:SP2_SP2_SP2	S[6]	C[5a,6]	C[6]	3:3:	3:3:2:	2:3:1:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:S[6]-2:	S[6]-2:C[6]-3:H-1:	S[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C[6a])(S[6]C[6])	C[6](S[6]C[5a,6])(C[6]C[6]H)(H)	S[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C[6a])(S[6]C[6]){1|C<4>,1|H<1>,6|C<3>}	C[6](S[6]C[5a,6])(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|C<3>}	95.6929	0.000	1	95.6929	0.000	1	95.6929	0.000	1	98.3879	14.527	2	98.8675	5.047	12	98.8675	5.047	12
286	727	762	6:SP2_SP2_SP2	S[6]	C[5a,6]	C[6]	3:3:	3:3:2:	2:3:4:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:S[6]-2:	S[6]-2:C[6]-3:C-4:	S[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]C)	C[5a,6](C[5a,6]C[5a]S[6])(C[5a]S[5a]Br)(S[6]C[6])	C[6](S[6]C[5a,6])(C[6]S[6]H)(CCHH)	S[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]C){1|Br<1>,1|C<3>,1|H<1>,2|S<2>}	C[5a,6](C[5a,6]C[5a]S[6])(C[5a]S[5a]Br)(S[6]C[6]){1|Br<1>,1|C<3>,1|C<4>}	C[6](S[6]C[5a,6])(C[6]S[6]H)(CCHH){2|C<3>}	103.6210	0.000	1	103.6210	0.000	1	103.6210	0.000	1	103.6210	0.000	1	98.8675	5.047	12	98.8675	5.047	12
286	727	762	6:SP2_SP2_SP2	S[6]	C[5a,6]	C[6]	3:3:	3:3:2:	2:4:1:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:S[6]-2:	S[6]-2:C[6]-4:O-1:	S[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(S[6]C[6])	C[6](S[6]C[5a,6])(C[6]C[6]HN)(O)	S[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(S[6]C[6]){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](S[6]C[5a,6])(C[6]C[6]HN)(O){1|H<1>,1|N<3>,2|C<3>}	98.6136	0.000	1	98.6136	0.000	1	98.6136	0.000	1	98.6136	0.000	1	98.8675	5.047	12	98.8675	5.047	12
286	727	762	6:SP2_SP2_SP2	S[6]	C[5a,6]	C[6]	3:3:	3:3:2:	3:2:3:	C[5a,6]-3:C[6]-3:	N[5a,6]-3:C[5a]-3:S[6]-2:	C[6,6a]-3:S[6]-2:C-3:	S[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6,6a]C)	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5a]N[5a]C)(S[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[5a,6])(CC[6a]H)	S[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6,6a]C){1|N<2>,4|C<3>}	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5a]N[5a]C)(S[6]C[6]){1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[5a,6])(CC[6a]H){1|H<1>,1|N<3>,3|C<3>}	97.6510	0.000	1	97.6510	0.000	1	97.6510	0.000	1	97.6510	0.000	1	98.8675	5.047	12	98.8675	5.047	12
286	727	818	6:SP2_SP2_SP2	S[6]	C[5a,6]	C[5,6]	3:3:	3:2:2:	3:2:2:	C[5a,6]-3:C[5,6]-3:	N[5a,6]-3:S[5a]-2:S[6]-2:	N[5,6]-3:S[5]-2:S[6]-2:	S[6](C[5a,6]N[5a,6]S[5a])(C[5,6]N[5,6]S[5])	C[5a,6](N[5a,6]C[5a,6a]B[6])(S[5a]C[5a,6a])(S[6]C[5,6])	C[5,6](N[5,6]C[5,6a]B[6])(S[5]C[5,6a])(S[6]C[5a,6])	S[6](C[5a,6]N[5a,6]S[5a])(C[5,6]N[5,6]S[5]){1|B<3>,4|C<3>}	C[5a,6](N[5a,6]C[5a,6a]B[6])(S[5a]C[5a,6a])(S[6]C[5,6]){1|S<2>,2|C<3>,2|N<3>}	C[5,6](N[5,6]C[5,6a]B[6])(S[5]C[5,6a])(S[6]C[5a,6]){1|S<2>,2|C<3>,2|N<3>}	100.7205	0.422	2	100.7205	0.178	2	100.7205	0.178	2	100.7205	0.178	2	99.5418	1.973	4	99.5418	1.973	4
286	727	818	6:SP2_SP2_SP2	S[6]	C[5a,6]	C[5,6]	3:3:	3:3:2:	3:2:2:	C[5a,6]-3:C[5,6]-3:	C[5a,6]-3:C[5a]-3:S[6]-2:	C[5,6]-3:S[6]-2:S[5]-2:	S[6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]S[5])	C[5a,6](C[5a,6]C[5a]S[6])(C[5a]S[5a]C)(S[6]C[5,6])	C[5,6](C[5,6]S[5]S[6])(S[6]C[5a,6])(S[5]C[5])	S[6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]S[5]){1|C<4>,2|C<3>,3|S<2>}	C[5a,6](C[5a,6]C[5a]S[6])(C[5a]S[5a]C)(S[6]C[5,6]){1|C<3>,1|C<4>,1|S<2>}	C[5,6](C[5,6]S[5]S[6])(S[6]C[5a,6])(S[5]C[5]){1|S<1>,2|C<3>}	98.3630	0.428	2	98.3630	0.183	2	98.3630	0.183	2	98.3630	0.183	2	99.5418	1.973	4	99.5418	1.973	4
286	762	762	6:SP2_SP2_SP2	S[6]	C[6]	C[6,6]	3:3:	3:3:2:	3:3:2:	C[6,6]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:S[6]-2:	N[6,6]-3:C[6]-3:S[6]-2:	S[6](C[6,6]N[6,6]C[6])(C[6]C[5a,6]C[5a])	C[6](C[5a,6]C[5a,6]N[5a])(C[5a]C[5a]N[5a])(S[6]C[6,6])	C[6,6](N[6,6]C[5a,6]C[6])(C[6]C[6]H)(S[6]C[6])	S[6](C[6,6]N[6,6]C[6])(C[6]C[5a,6]C[5a]){1|H<1>,2|N<3>,4|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[5a]C[5a]N[5a])(S[6]C[6,6]){1|Ni<4>,1|H<1>,1|N<3>,5|C<3>}	C[6,6](N[6,6]C[5a,6]C[6])(C[6]C[6]H)(S[6]C[6]){2|H<1>,4|C<3>}	105.3510	0.000	1	105.3510	0.000	1	105.3510	0.000	1	105.3510	0.000	1	105.3510	0.000	1	103.3912	5.146	53
286	762	762	6:SP2_SP2_SP2	S[6]	C[6]	C[6]	3:3:	3:2:1:	2:2:1:	C[6]-3:C[6]-3:	N[5,6]-3:S[6]-2:S-1:	N[6]-2:S[6]-2:S-1:	S[6](C[6]N[5,6]S)(C[6]N[6]S)	C[6](N[5,6]C[5,6]C[5])(S[6]C[6])(S)	C[6](N[6]C[5,6])(S[6]C[6])(S)	S[6](C[6]N[5,6]S)(C[6]N[6]S){1|C<3>,1|C<4>}	C[6](N[5,6]C[5,6]C[5])(S[6]C[6])(S){1|C<4>,1|N<2>,1|N<3>,1|S<1>,2|H<1>}	C[6](N[6]C[5,6])(S[6]C[6])(S){1|S<1>,2|N<3>}	105.2200	0.000	2	105.0513	0.085	3	105.0513	0.085	3	105.0513	0.085	3	103.3535	5.170	52	103.3912	5.146	53
286	762	762	6:SP2_SP2_SP2	S[6]	C[6]	C[6]	3:3:	3:2:1:	2:2:1:	C[6]-3:C[6]-3:	N[5,6]-3:S[6]-2:S-1:	N[6]-2:S[6]-2:S-1:	S[6](C[6]N[5,6]S)(C[6]N[6]S)	C[6](N[5,6]C[5,6]C[5])(S[6]C[6])(S)	C[6](N[6]C[5,6])(S[6]C[6])(S)	S[6](C[6]N[5,6]S)(C[6]N[6]S){1|C<3>,1|C<4>}	C[6](N[5,6]C[5,6]C[5])(S[6]C[6])(S){1|C<4>,1|S<1>,2|H<1>,2|N<2>}	C[6](N[6]C[5,6])(S[6]C[6])(S){1|N<2>,1|N<3>,1|S<1>}	104.7140	0.000	1	105.0513	0.085	3	105.0513	0.085	3	105.0513	0.085	3	103.3535	5.170	52	103.3912	5.146	53
286	762	762	6:SP2_SP2_SP2	S[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[5a,6]-3:S[6]-2:H-1:	C[6]-3:S[6]-2:S-1:	S[6](C[6]C[5a,6]H)(C[6]C[6]S)	C[6](C[5a,6]C[5a,6]N[5a])(S[6]C[6])(H)	C[6](C[6]C[5a,6]C)(S[6]C[6])(S)	S[6](C[6]C[5a,6]H)(C[6]C[6]S){1|C<3>,1|C<4>,1|N<3>}	C[6](C[5a,6]C[5a,6]N[5a])(S[6]C[6])(H){1|S<1>,1|S<4>,3|C<3>}	C[6](C[6]C[5a,6]C)(S[6]C[6])(S){1|H<1>,2|C<3>}	107.0720	0.000	1	107.0720	0.000	1	107.0720	0.000	1	103.9573	13.551	4	103.3535	5.170	52	103.3912	5.146	53
286	762	762	6:SP2_SP2_SP2	S[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6,6a]-3:S[6]-2:S-1:	N[6]-3:S[6]-2:S-1:	S[6](C[6]C[6,6a]S)(C[6]N[6]S)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(S)	C[6](N[6]C[6,6a]H)(S[6]C[6])(S)	S[6](C[6]C[6,6a]S)(C[6]N[6]S){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(S){1|H<1>,1|N<3>,1|S<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(S[6]C[6])(S){1|S<1>,2|C<3>}	107.2090	0.000	1	107.2090	0.000	1	107.2090	0.000	1	103.9573	13.551	4	103.3535	5.170	52	103.3912	5.146	53
286	762	762	6:SP2_SP2_SP2	S[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:S[6]-2:H-1:	C[6]-3:S[6]-2:H-1:	S[6](C[6]C[6]H)2	C[6](C[6]C[6]H)(S[6]C[6])(H)	C[6](C[6]C[6]H)(S[6]C[6])(H)	S[6](C[6]C[6]H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(S[6]C[6])(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(S[6]C[6])(H){1|H<1>,2|C<3>}	101.0090	0.000	1	101.0090	0.000	1	100.7740	0.110	2	103.9573	13.551	4	103.3535	5.170	52	103.3912	5.146	53
286	762	762	6:SP2_SP2_SP2	S[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:S[6]-2:H-1:	C[6]-3:S[6]-2:H-1:	S[6](C[6]C[6]H)2	C[6](C[6]C[6a]S[6])(S[6]C[6])(H)	C[6](C[6]C[6a]S[6])(S[6]C[6])(H)	S[6](C[6]C[6]H)2{1|S<2>,2|C<3>}	C[6](C[6]C[6a]S[6])(S[6]C[6])(H){1|H<1>,3|C<3>}	C[6](C[6]C[6a]S[6])(S[6]C[6])(H){1|H<1>,3|C<3>}	100.5390	0.000	1	100.5390	0.000	1	100.7740	0.110	2	103.9573	13.551	4	103.3535	5.170	52	103.3912	5.146	53
286	762	762	6:SP2_SP2_SP2	S[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:2:	C[6]-3:C[6]-3:	C[5,6]-3:S[6]-2:H-1:	C[6]-3:S[6]-2:N-2:	S[6](C[6]C[5,6]H)(C[6]C[6]N)	C[6](C[5,6]C[5,6]C[5])(S[6]C[6])(H)	C[6](C[6]C[5,6]H)(S[6]C[6])(NC[6a])	S[6](C[6]C[5,6]H)(C[6]C[6]N){1|C<3>,1|C<4>,1|H<1>}	C[6](C[5,6]C[5,6]C[5])(S[6]C[6])(H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(S[6]C[6])(NC[6a]){1|C<3>,1|C<4>,1|H<1>}	104.2385	0.127	2	104.2385	0.016	2	104.2385	0.016	2	104.2385	0.016	2	103.3535	5.170	52	103.3912	5.146	53
286	762	762	6:SP2_SP2_SP2	S[6]	C[6]	C[6]	3:3:	3:2:2:	2:2:3:	C[6]-3:C[6]-3:	C[6,6a]-3:S[6]-2:N-2:	N[6]-2:S[6]-2:N-3:	S[6](C[6]C[6,6a]N)(C[6]N[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(NC)	C[6](N[6]C[6,6a])(S[6]C[6])(NCC)	S[6](C[6]C[6,6a]N)(C[6]N[6]N){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(NC){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a])(S[6]C[6])(NCC){1|N<2>,2|C<3>}	102.4460	0.000	1	102.4460	0.000	1	102.4460	0.000	1	102.4460	0.000	1	103.3535	5.170	52	103.3912	5.146	53
286	762	762	6:SP2_SP2_SP2	S[6]	C[6]	C[6]	3:3:	3:2:3:	2:2:3:	C[6]-3:C[6]-3:	C[6,6a]-3:S[6]-2:C-3:	N[6]-2:S[6]-2:N-3:	S[6](C[6]C[6,6a]C)(C[6]N[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(CCH)	C[6](N[6]C[6,6a])(S[6]C[6])(NCH)	S[6](C[6]C[6,6a]C)(C[6]N[6]N){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(CCH){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a])(S[6]C[6])(NCH){3|C<3>}	101.3790	0.000	1	101.3790	0.000	1	101.3790	0.000	1	101.3790	0.000	1	103.3535	5.170	52	103.3912	5.146	53
286	762	762	6:SP2_SP2_SP2	S[6]	C[6]	C[6]	3:3:	3:2:3:	2:2:4:	C[6]-3:C[6]-3:	C[6,6a]-3:S[6]-2:C-3:	N[6]-2:S[6]-2:C-4:	S[6](C[6]C[6,6a]C)(C[6]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(CC[6a]H)	C[6](N[6]C[6,6a])(S[6]C[6])(CH3)	S[6](C[6]C[6,6a]C)(C[6]N[6]C){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(CC[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](N[6]C[6,6a])(S[6]C[6])(CH3){3|C<3>}	101.2660	0.000	1	101.2660	0.000	1	101.2660	0.000	1	101.2660	0.000	1	103.3535	5.170	52	103.3912	5.146	53
286	762	762	6:SP2_SP2_SP2	S[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:S[6]-2:C-3:	C[6]-3:S[6]-2:H-1:	S[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]O)(S[6]C[6])(CHO)	C[6](C[6]C[6]H)(S[6]C[6])(H)	S[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]O)(S[6]C[6])(CHO){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)(S[6]C[6])(H){1|S<2>,2|C<3>}	102.5410	0.000	1	102.5410	0.000	1	102.5410	0.000	1	102.5410	0.000	1	103.3535	5.170	52	103.3912	5.146	53
286	762	762	6:SP2_SP2_SP2	S[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:2:	C[6]-3:C[6]-3:	C[6,6a]-3:S[6]-2:C-3:	N[6]-3:S[6]-2:N-2:	S[6](C[6]C[6,6a]C)(C[6]N[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(CC[6a]H)	C[6](N[6]C[6,6a]H)(S[6]C[6])(NC)	S[6](C[6]C[6,6a]C)(C[6]N[6]N){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(CC[6a]H){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	C[6](N[6]C[6,6a]H)(S[6]C[6])(NC){1|N<2>,2|C<3>}	101.6310	0.000	1	101.6310	0.000	1	101.6310	0.000	1	101.1300	0.283	4	103.3535	5.170	52	103.3912	5.146	53
286	762	762	6:SP2_SP2_SP2	S[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:2:	C[6]-3:C[6]-3:	C[6]-3:S[6]-2:C-3:	C[6]-3:S[6]-2:S-2:	S[6](C[6]C[6]C)(C[6]C[6]S)	C[6](C[6]S[6]C)(S[6]C[6])(COO)	C[6](C[6]S[6]S)(S[6]C[6])(SNi)	S[6](C[6]C[6]C)(C[6]C[6]S){1|C<3>,2|S<2>}	C[6](C[6]S[6]C)(S[6]C[6])(COO){1|C<3>,1|S<2>}	C[6](C[6]S[6]S)(S[6]C[6])(SNi){2|C<3>}	100.7570	0.511	2	100.7570	0.261	2	100.7570	0.261	2	101.1300	0.283	4	103.3535	5.170	52	103.3912	5.146	53
286	762	762	6:SP2_SP2_SP2	S[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:2:	C[6]-3:C[6]-3:	C[6]-3:S[6]-2:N-3:	C[6]-3:S[6]-2:S-2:	S[6](C[6]C[6]N)(C[6]C[6]S)	C[6](C[6]C[6]C)(S[6]C[6])(NHH)	C[6](C[6]C[6]C)(S[6]C[6])(SC)	S[6](C[6]C[6]N)(C[6]C[6]S){1|C<2>,1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(S[6]C[6])(NHH){1|H<1>,1|S<2>,2|C<3>}	C[6](C[6]C[6]C)(S[6]C[6])(SC){1|H<1>,1|N<3>,2|C<3>}	101.3750	0.000	1	101.3750	0.000	1	101.3750	0.000	1	101.1300	0.283	4	103.3535	5.170	52	103.3912	5.146	53
286	762	762	6:SP2_SP2_SP2	S[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:3:	C[6]-3:C[6]-3:	C[6]-3:S[6]-2:C-3:	C[6]-3:S[6]-2:C-3:	S[6](C[6]C[6]C)2	C[6](C[6]S[6]C)(S[6]C[6])(CNO)	C[6](C[6]S[6]C)(S[6]C[6])(CNO)	S[6](C[6]C[6]C)2{1|S<2>,2|C<4>}	C[6](C[6]S[6]C)(S[6]C[6])(CNO){2|C<3>}	C[6](C[6]S[6]C)(S[6]C[6])(CNO){2|C<3>}	103.3867	0.761	3	103.3867	0.579	3	103.3867	0.579	3	103.4805	0.421	4	103.3535	5.170	52	103.3912	5.146	53
286	762	762	6:SP2_SP2_SP2	S[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:3:	C[6]-3:C[6]-3:	C[6]-3:S[6]-2:C-3:	C[6]-3:S[6]-2:N-3:	S[6](C[6]C[6]C)(C[6]C[6]N)	C[6](C[6]C[6]O)(S[6]C[6])(COO)	C[6](C[6]C[6]N)(S[6]C[6])(NC[6a]H)	S[6](C[6]C[6]C)(C[6]C[6]N){1|C<3>,1|N<3>,1|O<2>}	C[6](C[6]C[6]O)(S[6]C[6])(COO){1|C<3>,1|N<3>,1|S<1>}	C[6](C[6]C[6]N)(S[6]C[6])(NC[6a]H){1|S<1>,2|C<3>}	103.7620	0.000	1	103.7620	0.000	1	103.7620	0.000	1	103.4805	0.421	4	103.3535	5.170	52	103.3912	5.146	53
286	762	762	6:SP2_SP2_SP2	S[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:4:	C[6]-3:C[6]-3:	C[6]-3:S[6]-2:C-3:	C[6]-3:S[6]-2:C-4:	S[6](C[6]C[6]C)2	C[6](C[6]S[6]P)(S[6]C[6])(CC[5]P)	C[6](C[6]S[6]C)(S[6]C[6])(CH3)	S[6](C[6]C[6]C)2{1|C<4>,1|P<4>,1|S<2>}	C[6](C[6]S[6]P)(S[6]C[6])(CC[5]P){1|C<3>,1|C<4>}	C[6](C[6]S[6]C)(S[6]C[6])(CH3){2|C<3>}	100.9635	1.059	2	100.9635	1.121	2	100.9635	1.121	2	100.9635	1.121	2	103.3535	5.170	52	103.3912	5.146	53
286	762	762	6:SP2_SP2_SP2	S[6]	C[6]	C[6]	3:3:	3:2:4:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:S[6]-2:C-4:	C[6]-3:S[6]-2:H-1:	S[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]O)(S[6]C[6])(CH3)	C[6](C[6]C[6]H)(S[6]C[6])(H)	S[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]O)(S[6]C[6])(CH3){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)(S[6]C[6])(H){1|C<3>,1|C<4>,1|S<2>}	104.6360	0.386	3	104.6360	0.149	3	104.6360	0.149	3	105.1066	0.500	5	103.3535	5.170	52	103.3912	5.146	53
286	762	762	6:SP2_SP2_SP2	S[6]	C[6]	C[6]	3:3:	3:2:4:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:S[6]-2:Si-4:	C[6]-3:S[6]-2:H-1:	S[6](C[6]C[6]Si)(C[6]C[6]H)	C[6](C[6]S[6]H)(S[6]C[6])(SiC3)	C[6](C[6]S[6]H)(S[6]C[6])(H)	S[6](C[6]C[6]Si)(C[6]C[6]H){1|S<4>,2|H<1>}	C[6](C[6]S[6]H)(S[6]C[6])(SiC3){1|C<3>,1|H<1>,2|O<1>}	C[6](C[6]S[6]H)(S[6]C[6])(H){1|Si<4>,1|C<3>,2|O<1>}	105.8125	0.204	2	105.8125	0.042	2	105.8125	0.042	2	105.1066	0.500	5	103.3535	5.170	52	103.3912	5.146	53
286	762	762	6:SP2_SP2_SP2	S[6]	C[6]	C[6]	3:3:	3:2:4:	3:2:2:	C[6]-3:C[6]-3:	C[5,6]-3:S[6]-2:C-4:	C[6]-3:S[6]-2:N-2:	S[6](C[6]C[5,6]C)(C[6]C[6]N)	C[6](C[5,6]C[5,6]C[5])(S[6]C[6])(CH3)	C[6](C[6]C[5,6]H)(S[6]C[6])(NC[6a])	S[6](C[6]C[5,6]C)(C[6]C[6]N){1|C<3>,1|C<4>,1|H<1>}	C[6](C[5,6]C[5,6]C[5])(S[6]C[6])(CH3){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(S[6]C[6])(NC[6a]){1|C<3>,2|C<4>}	105.9735	0.190	2	105.9735	0.036	2	105.9735	0.036	2	105.9735	0.036	2	103.3535	5.170	52	103.3912	5.146	53
286	762	762	6:SP2_SP2_SP2	S[6]	C[6]	C[6]	3:3:	3:2:4:	3:2:4:	C[6]-3:C[6]-3:	C[6]-3:S[6]-2:C-4:	C[6]-3:S[6]-2:C-4:	S[6](C[6]C[6]C)2	C[6](C[6]S[6]C)(S[6]C[6])(CH3)	C[6](C[6]S[6]C)(S[6]C[6])(CH3)	S[6](C[6]C[6]C)2{1|S<2>,2|C<3>}	C[6](C[6]S[6]C)(S[6]C[6])(CH3){1|C<3>,1|C<4>}	C[6](C[6]S[6]C)(S[6]C[6])(CH3){1|C<3>,1|C<4>}	105.0737	0.791	3	105.0737	0.626	3	105.0737	0.626	3	105.0737	0.626	3	103.3535	5.170	52	103.3912	5.146	53
286	762	762	6:SP2_SP2_SP2	S[6]	C[6]	C[6]	3:3:	3:3:2:	2:2:1:	C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:S[6]-2:	N[6]-2:S[6]-2:S-1:	S[6](C[6]C[6a]C[6])(C[6]N[6]S)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(S[6]C[6])	C[6](N[6]C[6])(S[6]C[6])(S)	S[6](C[6]C[6a]C[6])(C[6]N[6]S){1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(S[6]C[6]){1|N<2>,1|S<1>,2|H<1>,3|C<3>}	C[6](N[6]C[6])(S[6]C[6])(S){3|C<3>}	104.1250	0.000	1	104.1250	0.000	1	104.1250	0.000	1	104.1250	0.000	1	103.3535	5.170	52	103.3912	5.146	53
286	762	762	6:SP2_SP2_SP2	S[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:S[6]-2:S-1:	S[6](C[6]C[6a]C[6])(C[6]C[6,6a]S)	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(S[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(S)	S[6](C[6]C[6a]C[6])(C[6]C[6,6a]S){1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(S[6]C[6]){1|S<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(S){1|H<1>,4|C<3>}	107.6090	0.000	1	107.6090	0.000	1	107.6090	0.000	1	106.3905	2.969	2	103.3535	5.170	52	103.3912	5.146	53
286	762	762	6:SP2_SP2_SP2	S[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6a]-3:S[6]-2:	N[6,6]-3:S[6]-2:S-1:	S[6](C[6]C[6a]C[6])(C[6]N[6,6]S)	C[6](C[6]C[6,6]C[6a])(C[6a]C[6a]2)(S[6]C[6])	C[6](N[6,6]C[6,6]C[6])(S[6]C[6])(S)	S[6](C[6]C[6a]C[6])(C[6]N[6,6]S){2|C<4>,3|C<3>}	C[6](C[6]C[6,6]C[6a])(C[6a]C[6a]2)(S[6]C[6]){1|C<4>,1|N<3>,1|S<1>,3|H<1>,4|C<3>}	C[6](N[6,6]C[6,6]C[6])(S[6]C[6])(S){1|C<4>,3|C<3>,3|H<1>}	105.1720	0.000	1	105.1720	0.000	1	105.1720	0.000	1	106.3905	2.969	2	103.3535	5.170	52	103.3912	5.146	53
286	762	762	6:SP2_SP2_SP2	S[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:3:	C[6]-3:C[6]-3:	C[6]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:S[6]-2:C-3:	S[6](C[6]C[6a]C[6])(C[6]C[6,6a]C)	C[6](C[6]C[6,6a]C[6a])(C[6a]C[6a]2)(S[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(CCH)	S[6](C[6]C[6a]C[6])(C[6]C[6,6a]C){5|C<3>}	C[6](C[6]C[6,6a]C[6a])(C[6a]C[6a]2)(S[6]C[6]){2|H<1>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(CCH){1|H<1>,4|C<3>}	105.6160	0.000	1	105.6160	0.000	1	102.1163	9.263	3	102.1163	9.263	3	103.3535	5.170	52	103.3912	5.146	53
286	762	762	6:SP2_SP2_SP2	S[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:3:	C[6]-3:C[6]-3:	C[6]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:S[6]-2:C-3:	S[6](C[6]C[6a]C[6])(C[6]C[6,6a]C)	C[6](C[6]C[6,6a]C[6a])(C[6a]C[6a]2)(S[6]C[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(S[6]C[6])(CCH)	S[6](C[6]C[6a]C[6])(C[6]C[6,6a]C){5|C<3>}	C[6](C[6]C[6,6a]C[6a])(C[6a]C[6a]2)(S[6]C[6]){2|H<1>,7|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(S[6]C[6])(CCH){5|C<3>}	100.3665	0.394	2	100.3665	0.155	2	102.1163	9.263	3	102.1163	9.263	3	103.3535	5.170	52	103.3912	5.146	53
286	762	762	6:SP2_SP2_SP2	S[6]	C[6]	C[6]	3:3:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:S[6]-2:	C[6a]-3:C[6]-3:S[6]-2:	S[6](C[6]C[6a]C[6])2	C[6](C[6a]C[6a]2)(C[6]C[6]C)(S[6]C[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(S[6]C[6])	S[6](C[6]C[6a]C[6])2{3|C<4>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(S[6]C[6]){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(S[6]C[6]){1|C<4>,2|H<1>,5|C<3>}	101.2020	0.000	1	101.2020	0.000	1	101.3249	0.614	6	101.3249	0.614	6	103.3535	5.170	52	103.3912	5.146	53
286	762	762	6:SP2_SP2_SP2	S[6]	C[6]	C[6]	3:3:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:S[6]-2:	C[6a]-3:C[6]-3:S[6]-2:	S[6](C[6]C[6a]C[6])2	C[6](C[6a]C[6a]2)(C[6]C[6]H)(S[6]C[6])	C[6](C[6a]C[6a]2)(C[6]C[6]H)(S[6]C[6])	S[6](C[6]C[6a]C[6])2{1|C<4>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(S[6]C[6]){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(S[6]C[6]){1|C<4>,2|H<1>,5|C<3>}	101.4640	0.192	3	101.6925	0.233	4	101.3249	0.614	6	101.3249	0.614	6	103.3535	5.170	52	103.3912	5.146	53
286	762	762	6:SP2_SP2_SP2	S[6]	C[6]	C[6]	3:3:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:S[6]-2:	C[6a]-3:C[6]-3:S[6]-2:	S[6](C[6]C[6a]C[6])2	C[6](C[6a]C[6a]2)(C[6]C[6]H)(S[6]C[6])	C[6](C[6a]C[6a]2)(C[6]C[6]H)(S[6]C[6])	S[6](C[6]C[6a]C[6])2{2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(S[6]C[6]){2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(S[6]C[6]){2|H<1>,5|C<3>}	102.3780	0.000	1	101.6925	0.233	4	101.3249	0.614	6	101.3249	0.614	6	103.3535	5.170	52	103.3912	5.146	53
286	762	762	6:SP2_SP2_SP2	S[6]	C[6]	C[6]	3:3:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:S[6]-2:	C[6a]-3:C[6]-3:S[6]-2:	S[6](C[6]C[6a]C[6])2	C[6](C[6a]C[6a]2)(C[6]S[6]H)(S[6]C[6])	C[6](C[6a]C[6a]2)(C[6]S[6]H)(S[6]C[6])	S[6](C[6]C[6a]C[6])2{1|S<2>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]S[6]H)(S[6]C[6]){2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]S[6]H)(S[6]C[6]){2|H<1>,4|C<3>}	99.9776	0.000	1	99.9776	0.000	1	101.3249	0.614	6	101.3249	0.614	6	103.3535	5.170	52	103.3912	5.146	53
286	762	762	6:SP2_SP2_SP2	S[6]	C[6]	C[6]	3:3:	4:2:1:	2:2:3:	C[6]-3:C[6]-3:	C[6]-4:S[6]-2:S-1:	O[6]-2:S[6]-2:C-3:	S[6](C[6]C[6]S)(C[6]O[6]C)	C[6](C[6]C[6a]C[6]C)(S[6]C[6])(S)	C[6](O[6]C[6])(S[6]C[6])(CC[6a]C)	S[6](C[6]C[6]S)(C[6]O[6]C){1|C<4>,2|C<3>}	C[6](C[6]C[6a]C[6]C)(S[6]C[6])(S){1|O<1>,1|O<2>,3|C<3>}	C[6](O[6]C[6])(S[6]C[6])(CC[6a]C){1|C<4>,1|O<1>,1|S<1>}	102.4490	0.000	1	102.4490	0.000	1	102.4490	0.000	1	102.4490	0.000	1	103.3535	5.170	52	103.3912	5.146	53
286	762	762	6:SP2_SP2_SP2	S[6]	C[6]	C[6]	3:3:	4:2:2:	2:2:3:	C[6]-3:C[6]-3:	C[6]-4:S[6]-2:N-2:	O[6]-2:S[6]-2:C-3:	S[6](C[6]C[6]N)(C[6]O[6]C)	C[6](C[6]C[6a]C[6]C)(S[6]C[6])(NC[6a])	C[6](O[6]C[6])(S[6]C[6])(CC[6a]C)	S[6](C[6]C[6]N)(C[6]O[6]C){1|C<4>,2|C<3>}	C[6](C[6]C[6a]C[6]C)(S[6]C[6])(NC[6a]){1|O<1>,1|O<2>,3|C<3>}	C[6](O[6]C[6])(S[6]C[6])(CC[6a]C){1|C<4>,1|N<2>,1|O<1>}	99.7050	0.000	1	99.7050	0.000	1	99.7050	0.000	1	99.7050	0.000	1	103.3535	5.170	52	103.3912	5.146	53
286	762	762	6:SP2_SP2_SP2	S[6]	C[6]	C[6]	3:3:	4:2:2:	3:2:1:	C[6]-3:C[6]-3:	C[5]-4:N[6]-2:S[6]-2:	C[6,6a]-3:S[6]-2:S-1:	S[6](C[6]C[5]N[6])(C[6]C[6,6a]S)	C[6](C[5]C[5]2Fe)(N[6]C[6,6a])(S[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(S)	S[6](C[6]C[5]N[6])(C[6]C[6,6a]S){1|Fe<10>,2|C<3>,2|C<4>}	C[6](C[5]C[5]2Fe)(N[6]C[6,6a])(S[6]C[6]){1|S<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(S){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	104.8520	0.000	1	104.8520	0.000	1	104.8520	0.000	1	104.8520	0.000	1	103.3535	5.170	52	103.3912	5.146	53
286	762	762	6:SP2_SP2_SP2	S[6]	C[6]	C[6]	3:3:	4:2:3:	3:2:2:	C[6]-3:C[6]-3:	C[6]-4:S[6]-2:C-3:	N[6]-3:S[6]-2:N-2:	S[6](C[6]C[6]C)(C[6]N[6]N)	C[6](C[6]C[6]HH)(S[6]C[6])(CHI)	C[6](N[6]C[6a]C[6])(S[6]C[6])(NC)	S[6](C[6]C[6]C)(C[6]N[6]N){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(S[6]C[6])(CHI){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[6a]C[6])(S[6]C[6])(NC){1|C<4>,1|H<1>,4|C<3>}	103.0660	0.000	1	103.0660	0.000	1	103.0660	0.000	1	103.0660	0.000	1	103.3535	5.170	52	103.3912	5.146	53
286	762	762	6:SP2_SP2_SP2	S[6]	C[6]	C[6]	3:3:	4:3:2:	3:2:4:	C[6]-3:C[6]-3:	P-4:C[6]-3:S[6]-2:	C[6]-3:S[6]-2:C-4:	S[6](C[6]C[6]C)(C[6]C[6]P)	C[6](PC[6a]2Mo)(C[6]S[6]C)(S[6]C[6])	C[6](C[6]S[6]C)(S[6]C[6])(CH3)	S[6](C[6]C[6]C)(C[6]C[6]P){1|C<3>,1|C<4>,1|S<2>}	C[6](PC[6a]2Mo)(C[6]S[6]C)(S[6]C[6]){1|C<3>,1|C<4>}	C[6](C[6]S[6]C)(S[6]C[6])(CH3){1|C<3>,1|P<4>}	101.9510	0.049	2	101.9510	0.002	2	101.9510	0.002	2	101.9510	0.002	2	103.3535	5.170	52	103.3912	5.146	53
286	762	762	6:SP2_SP2_SP2	S[6]	C[6]	C[6]	3:3:	4:4:2:	4:4:2:	C[6]-3:C[6]-3:	P[6]-4:P-4:S[6]-2:	P[6]-4:P-4:S[6]-2:	S[6](C[6]P[6]P)2	C[6](P[6]C[6a]2S[6])(PC[6a]2S)(S[6]C[6])	C[6](P[6]C[6a]2S[6])(PC[6a]2S)(S[6]C[6])	S[6](C[6]P[6]P)2{1|S<2>,4|C<3>}	C[6](P[6]C[6a]2S[6])(PC[6a]2S)(S[6]C[6]){2|P<4>,4|C<3>}	C[6](P[6]C[6a]2S[6])(PC[6a]2S)(S[6]C[6]){2|P<4>,4|C<3>}	109.0420	0.000	1	109.0420	0.000	1	109.0420	0.000	1	109.0420	0.000	1	103.3535	5.170	52	103.3912	5.146	53
286	762	818	6:SP2_SP2_SP2	S[6]	C[6,6]	C[5,6]	3:3:	3:3:2:	3:2:2:	C[5,6]-3:C[6,6]-3:	C[6,6]-3:C[6]-3:S[6]-2:	C[5,6]-3:S[6]-2:S[5]-2:	S[6](C[5,6]C[5,6]S[5])(C[6,6]C[6,6]C[6])	C[6,6](C[6,6]C[6]S[6])(C[6]C[6,6a]O)(S[6]C[5,6])	C[5,6](C[5,6]S[5]S[6])(S[6]C[6,6])(S[5]C[5])	S[6](C[5,6]C[5,6]S[5])(C[6,6]C[6,6]C[6]){1|O<1>,2|S<2>,3|C<3>}	C[6,6](C[6,6]C[6]S[6])(C[6]C[6,6a]O)(S[6]C[5,6]){1|O<1>,1|S<2>,3|C<3>}	C[5,6](C[5,6]S[5]S[6])(S[6]C[6,6])(S[5]C[5]){1|S<1>,2|C<3>}	98.5533	0.267	2	98.5533	0.071	2	98.5533	0.071	2	98.5533	0.071	2	98.5533	0.071	2	100.0548	2.867	31
286	762	818	6:SP2_SP2_SP2	S[6]	C[6]	C[5,6]	3:3:	2:3:1:	3:2:2:	C[5,6]-3:C[6]-3:	S[6]-2:C[6]-3:H-1:	C[5,6]-3:S[5]-2:S[6]-2:	S[6](C[5,6]C[5,6]S[5])(C[6]C[6]H)	C[6](S[6]C[5,6])(C[6]S[6]H)(H)	C[5,6](C[5,6]S[5]S[6])(S[5]C[5])(S[6]C[6])	S[6](C[5,6]C[5,6]S[5])(C[6]C[6]H){1|C<3>,1|H<1>,2|S<2>}	C[6](S[6]C[5,6])(C[6]S[6]H)(H){1|C<3>,1|S<2>}	C[5,6](C[5,6]S[5]S[6])(S[5]C[5])(S[6]C[6]){1|H<1>,2|C<3>}	99.1367	0.341	10	99.1367	0.116	10	99.1367	0.116	10	99.1367	0.116	10	100.1583	2.897	29	100.0548	2.867	31
286	762	818	6:SP2_SP2_SP2	S[6]	C[6]	C[5,6]	3:3:	2:3:1:	3:3:2:	C[5,6]-3:C[6]-3:	S[6]-2:C[6]-3:H-1:	C[5,6]-3:C[5]-3:S[6]-2:	S[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)	C[6](S[6]C[5,6])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]C)(S[6]C[6])	S[6](C[5,6]C[5,6]C[5])(C[6]C[6]H){1|C<4>,1|H<1>,3|C<3>}	C[6](S[6]C[5,6])(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]C)(S[6]C[6]){2|H<1>,3|C<3>}	100.3504	2.224	2	100.3504	4.946	2	100.3504	4.946	2	100.3504	4.946	2	100.1583	2.897	29	100.0548	2.867	31
286	762	818	6:SP2_SP2_SP2	S[6]	C[6]	C[5,6]	3:3:	2:3:2:	3:3:2:	C[5,6]-3:C[6]-3:	S[6]-2:C[6]-3:S-2:	C[5,6a]-3:C[5,6]-3:S[6]-2:	S[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]S)	C[6](S[6]C[5,6])(C[6]S[6]S)(SC)	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]S[6])(S[6]C[6])	S[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]S){2|S<2>,3|C<3>}	C[6](S[6]C[5,6])(C[6]S[6]S)(SC){2|C<3>}	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]S[6])(S[6]C[6]){1|H<1>,1|S<2>,4|C<3>}	99.7836	1.041	2	99.7836	1.085	2	99.7836	1.085	2	99.7836	1.085	2	100.1583	2.897	29	100.0548	2.867	31
286	762	818	6:SP2_SP2_SP2	S[6]	C[6]	C[5,6]	3:3:	3:2:1:	3:2:2:	C[5,6]-3:C[6]-3:	C[6]-3:S[6]-2:H-1:	C[5,6]-3:S[5]-2:S[6]-2:	S[6](C[5,6]C[5,6]S[5])(C[6]C[6]H)	C[6](C[6]C[6a]S[6])(S[6]C[5,6])(H)	C[5,6](C[5,6]S[5]S[6])(S[5]C[5])(S[6]C[6])	S[6](C[5,6]C[5,6]S[5])(C[6]C[6]H){2|C<3>,2|S<2>}	C[6](C[6]C[6a]S[6])(S[6]C[5,6])(H){1|N<2>,1|S<2>,2|C<3>}	C[5,6](C[5,6]S[5]S[6])(S[5]C[5])(S[6]C[6]){1|H<1>,2|C<3>}	99.9366	0.000	1	99.9366	0.000	1	99.9366	0.000	1	99.9366	0.000	1	100.1583	2.897	29	100.0548	2.867	31
286	762	818	6:SP2_SP2_SP2	S[6]	C[6]	C[5,6]	3:3:	3:2:3:	3:2:2:	C[5,6]-3:C[6]-3:	C[6a]-3:S[6]-2:C[6]-3:	C[5,6]-3:S[5]-2:S[6]-2:	S[6](C[5,6]C[5,6]S[5])(C[6]C[6a]C[6])	C[6](C[6a]C[6a]N[6a])(S[6]C[5,6])(C[6]S[6]H)	C[5,6](C[5,6]S[5]S[6])(S[5]C[5])(S[6]C[6])	S[6](C[5,6]C[5,6]S[5])(C[6]C[6a]C[6]){1|H<1>,1|N<2>,2|C<3>,2|S<2>}	C[6](C[6a]C[6a]N[6a])(S[6]C[5,6])(C[6]S[6]H){1|H<1>,1|S<2>,3|C<3>}	C[5,6](C[5,6]S[5]S[6])(S[5]C[5])(S[6]C[6]){3|C<3>}	98.5017	0.000	1	98.5017	0.000	1	98.5017	0.000	1	98.5017	0.000	1	100.1583	2.897	29	100.0548	2.867	31
286	762	818	6:SP2_SP2_SP2	S[6]	C[6]	C[5,6]	3:3:	3:3:2:	3:2:2:	C[5,6]-3:C[6]-3:	C[6]-3:C[6a]-3:S[6]-2:	C[5,6]-3:S[5]-2:S[6]-2:	S[6](C[5,6]C[5,6]S[5])(C[6]C[6a]C[6])	C[6](C[6]C[6a]S[6])(C[6a]C[6a]2)(S[6]C[5,6])	C[5,6](C[5,6]S[5]S[6])(S[5]C[5])(S[6]C[6])	S[6](C[5,6]C[5,6]S[5])(C[6]C[6a]C[6]){2|S<2>,4|C<3>}	C[6](C[6]C[6a]S[6])(C[6a]C[6a]2)(S[6]C[5,6]){1|S<2>,2|H<1>,5|C<3>}	C[5,6](C[5,6]S[5]S[6])(S[5]C[5])(S[6]C[6]){1|S<1>,2|C<3>}	101.1779	1.976	4	101.1779	3.905	4	101.1779	3.905	4	101.1779	3.905	4	100.1583	2.897	29	100.0548	2.867	31
286	762	818	6:SP2_SP2_SP2	S[6]	C[6]	C[5,6]	3:3:	3:4:2:	3:2:2:	C[5,6]-3:C[6]-3:	C[6]-3:C[5]-4:S[6]-2:	C[5,6]-3:S[5]-2:S[6]-2:	S[6](C[5,6]C[5,6]S[5])(C[6]C[5]C[6])	C[6](C[6]C[5]S[6])(C[5]C[5]2Fe)(S[6]C[5,6])	C[5,6](C[5,6]S[5]S[6])(S[5]C[5])(S[6]C[6])	S[6](C[5,6]C[5,6]S[5])(C[6]C[5]C[6]){1|Fe<10>,1|C<3>,2|S<2>,3|C<4>}	C[6](C[6]C[5]S[6])(C[5]C[5]2Fe)(S[6]C[5,6]){1|Fe<10>,1|C<3>,1|S<2>,2|H<1>,4|C<4>}	C[5,6](C[5,6]S[5]S[6])(S[5]C[5])(S[6]C[6]){1|C<3>,1|C<4>,1|S<1>}	100.4665	1.768	2	100.4665	3.127	2	100.4665	3.127	2	100.4665	3.127	2	100.1583	2.897	29	100.0548	2.867	31
286	762	818	6:SP2_SP2_SP2	S[6]	C[6]	C[5,6]	3:3:	4:2:1:	3:2:2:	C[5,6]-3:C[6]-3:	C[6]-4:S[6]-2:H-1:	C[5,6]-3:S[5]-2:S[6]-2:	S[6](C[5,6]C[5,6]S[5])(C[6]C[6]H)	C[6](C[6]S[6]CH)(S[6]C[5,6])(H)	C[5,6](C[5,6]S[5]S[6])(S[5]C[5])(S[6]C[6])	S[6](C[5,6]C[5,6]S[5])(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>,2|S<2>}	C[6](C[6]S[6]CH)(S[6]C[5,6])(H){1|C<3>,1|S<2>}	C[5,6](C[5,6]S[5]S[6])(S[5]C[5])(S[6]C[6]){1|C<3>,1|C<4>,1|H<1>}	101.7730	0.000	1	101.7730	0.000	1	101.3089	12.218	3	101.3089	12.218	3	100.1583	2.897	29	100.0548	2.867	31
286	762	818	6:SP2_SP2_SP2	S[6]	C[6]	C[5,6]	3:3:	4:2:1:	3:2:2:	C[5,6]-3:C[6]-3:	C[6]-4:S[6]-2:H-1:	C[5,6]-3:S[5]-2:S[6]-2:	S[6](C[5,6]C[5,6]S[5])(C[6]C[6]H)	C[6](C[6]S[6]HH)(S[6]C[5,6])(H)	C[5,6](C[5,6]S[5]S[6])(S[5]C[5])(S[6]C[6])	S[6](C[5,6]C[5,6]S[5])(C[6]C[6]H){1|C<3>,2|H<1>,2|S<2>}	C[6](C[6]S[6]HH)(S[6]C[5,6])(H){1|C<3>,1|S<2>}	C[5,6](C[5,6]S[5]S[6])(S[5]C[5])(S[6]C[6]){1|C<3>,1|C<4>,1|H<1>}	101.0768	4.910	2	101.0768	24.112	2	101.3089	12.218	3	101.3089	12.218	3	100.1583	2.897	29	100.0548	2.867	31
286	762	818	6:SP2_SP2_SP2	S[6]	C[6]	C[5,6]	3:3:	4:2:3:	3:2:2:	C[5,6]-3:C[6]-3:	C[6]-4:S[6]-2:C-3:	C[5,6]-3:N[5]-2:S[6]-2:	S[6](C[5,6]C[5,6]N[5])(C[6]C[6]C)	C[6](C[6]C[6]HH)(S[6]C[5,6])(CCH)	C[5,6](C[5,6]C[5]C[6])(N[5]C[5,5])(S[6]C[6])	S[6](C[5,6]C[5,6]N[5])(C[6]C[6]C){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(S[6]C[5,6])(CCH){1|N<2>,1|O<2>,2|C<3>}	C[5,6](C[5,6]C[5]C[6])(N[5]C[5,5])(S[6]C[6]){1|O<2>,2|C<4>,4|C<3>}	100.4190	0.306	3	100.4190	0.093	3	100.4190	0.093	3	101.2365	2.735	4	100.1583	2.897	29	100.0548	2.867	31
286	762	818	6:SP2_SP2_SP2	S[6]	C[6]	C[5,6]	3:3:	4:2:3:	3:2:2:	C[5,6]-3:C[6]-3:	C[6]-4:S[6]-2:C-3:	C[5,6]-3:S[5]-2:S[6]-2:	S[6](C[5,6]C[5,6]S[5])(C[6]C[6]C)	C[6](C[6]S[6]HH)(S[6]C[5,6])(CHH)	C[5,6](C[5,6]S[5]S[6])(S[5]C[5])(S[6]C[6])	S[6](C[5,6]C[5,6]S[5])(C[6]C[6]C){1|C<3>,2|H<1>,2|S<2>}	C[6](C[6]S[6]HH)(S[6]C[5,6])(CHH){1|C<3>,1|S<2>}	C[5,6](C[5,6]S[5]S[6])(S[5]C[5])(S[6]C[6]){1|C<4>,2|C<3>}	103.6890	0.000	1	103.6890	0.000	1	103.6890	0.000	1	101.2365	2.735	4	100.1583	2.897	29	100.0548	2.867	31
286	762	874	6:SP2_SP2_SP3	S[6]	C[6,6]	B[6]	3:4:	4:3:2:	3:3:4:2:	C[6,6]-3:B[6]-4:	P[6,6]-4:N[6]-3:S[6]-2:	C[6a]-3:C[6a]-3:C[6]-4:S[6]-2:	S[6](C[6,6]P[6,6]N[6])(B[6]C[6a]2C[6])	C[6,6](P[6,6]C[6a]C[6]2)(N[6]C[6a]B[6])(S[6]B[6])	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(S[6]C[6,6])	S[6](C[6,6]P[6,6]N[6])(B[6]C[6a]2C[6]){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	C[6,6](P[6,6]C[6a]C[6]2)(N[6]C[6a]B[6])(S[6]B[6]){2|C<4>,4|H<1>,8|C<3>}	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(S[6]C[6,6]){1|N<3>,1|P<4>,2|H<1>,4|C<3>,4|F<1>}	103.5210	0.000	1	103.5210	0.000	1	103.5210	0.000	1	103.5210	0.000	1	103.5210	0.000	1	103.5210	0.000	1
286	762	914	6:SP2_SP2_SP2	S[6]	C[6,6]	N[6]	3:2:	3:3:2:	3:2:	C[6,6]-3:N[6]-2:	C[6]-3:C[6,6]-3:S[6]-2:	C[6]-3:S[6]-2:	S[6](C[6,6]C[6,6]C[6])(N[6]C[6])	C[6,6](C[6]C[5a,6]H)(C[6,6]N[6]2)(S[6]N[6])	N[6](C[6]C[5a]N[6])(S[6]C[6,6])	S[6](C[6,6]C[6,6]C[6])(N[6]C[6]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6,6](C[6]C[5a,6]H)(C[6,6]N[6]2)(S[6]N[6]){1|C<4>,1|S<2>,2|C<3>}	N[6](C[6]C[5a]N[6])(S[6]C[6,6]){1|S<2>,3|C<3>}	106.7460	0.000	2	106.7460	0.000	2	106.7460	0.000	2	106.7460	0.000	2	106.7460	0.000	2	106.7460	0.000	2
286	762	943	6:SP2_SP-NON_SP2	S[6]	C[6]	Ga[6]	4:3:	3:2:3:	3:2:4:4:	Ga[6]-4:C[6]-3:	N[6]-3:S[6]-2:N-3:	C[6]-3:S[6]-2:C-4:C-4:	S[6](Ga[6]C[6]CC)(C[6]N[6]N)	C[6](N[6]C[6a]Ge[6])(S[6]Ga[6])(NCC)	Ga[6](C[6]Ge[6]C)(S[6]C[6])(CC3)2	S[6](Ga[6]C[6]CC)(C[6]N[6]N){1|Ge<4>,2|C<3>}	C[6](N[6]C[6a]Ge[6])(S[6]Ga[6])(NCC){1|C<2>,1|N<3>,2|C<4>,3|C<3>}	Ga[6](C[6]Ge[6]C)(S[6]C[6])(CC3)2{1|C<2>,3|N<3>}	110.5650	0.000	1	110.5650	0.000	1	110.5650	0.000	1	110.5650	0.000	1	110.5650	0.000	1	110.5650	0.000	1
286	818	818	6:SP2_SP2_SP2	S[6]	C[5,6]	C[5,6]	3:3:	3:2:2:	3:2:2:	C[5,6]-3:C[5,6]-3:	N[5,6]-3:S[5]-2:S[6]-2:	N[5,6]-3:S[5]-2:S[6]-2:	S[6](C[5,6]N[5,6]S[5])2	C[5,6](N[5,6]C[5,6a]B[6])(S[5]C[5,6a])(S[6]C[5,6])	C[5,6](N[5,6]C[5,6a]B[6])(S[5]C[5,6a])(S[6]C[5,6])	S[6](C[5,6]N[5,6]S[5])2{1|B<4>,4|C<3>}	C[5,6](N[5,6]C[5,6a]B[6])(S[5]C[5,6a])(S[6]C[5,6]){1|H<1>,1|S<2>,2|C<3>,2|N<3>}	C[5,6](N[5,6]C[5,6a]B[6])(S[5]C[5,6a])(S[6]C[5,6]){1|H<1>,1|S<2>,2|C<3>,2|N<3>}	100.0650	0.000	1	100.0650	0.000	1	100.0650	0.000	1	100.0650	0.000	1	96.2838	1.337	14	96.2838	1.337	14
286	818	818	6:SP2_SP2_SP2	S[6]	C[5,6]	C[5,6]	3:3:	3:2:3:	3:2:3:	C[5,6]-3:C[5,6]-3:	C[5,6]-3:S[6]-2:C[5]-3:	C[5,6]-3:S[6]-2:C[5]-3:	S[6](C[5,6]C[5,6]C[5])2	C[5,6](C[5,6]C[5]S[6])(S[6]C[5,6])(C[5]N[5]O)	C[5,6](C[5,6]C[5]S[6])(S[6]C[5,6])(C[5]N[5]O)	S[6](C[5,6]C[5,6]C[5])2{1|S<2>,2|C<3>,2|N<3>,2|O<1>}	C[5,6](C[5,6]C[5]S[6])(S[6]C[5,6])(C[5]N[5]O){1|C<4>,1|O<1>,2|C<3>}	C[5,6](C[5,6]C[5]S[6])(S[6]C[5,6])(C[5]N[5]O){1|C<4>,1|O<1>,2|C<3>}	95.9929	0.407	13	95.9929	0.165	13	95.9929	0.165	13	95.9929	0.165	13	96.2838	1.337	14	96.2838	1.337	14
286	849	849	6:SP3_SP3_SP3	S[6,6]	P[6,6]	P[6,6]	4:4:	3:2:3:1:	3:2:2:1:	P[6,6]-4:P[6,6]-4:	C[6,6a]-3:S[6,6]-2:N[6]-3:S-1:	C[6,6a]-3:S[6,6]-2:N[6]-2:S-1:	S[6,6](P[6,6]C[6,6a]N[6]S)2	P[6,6](C[6,6a]C[6,6a,6a]C[6a])(S[6,6]P[6,6])(N[6]C[6]C)(S)	P[6,6](C[6,6a]C[6,6a,6a]C[6a])(S[6,6]P[6,6])(N[6]C[6])(S)	S[6,6](P[6,6]C[6,6a]N[6]S)2{1|C<4>,4|C<3>}	P[6,6](C[6,6a]C[6,6a,6a]C[6a])(S[6,6]P[6,6])(N[6]C[6]C)(S){1|C<4>,1|H<1>,1|N<2>,1|S<1>,3|C<3>}	P[6,6](C[6,6a]C[6,6a,6a]C[6a])(S[6,6]P[6,6])(N[6]C[6])(S){1|C<4>,1|H<1>,1|N<3>,1|S<1>,3|C<3>}	93.0267	0.000	1	93.0267	0.000	1	93.0267	0.000	1	93.0267	0.000	1	93.0267	0.000	1	102.8198	35.515	7
286	849	849	6:SP3_SP3_SP3	S[6]	P[6]	P[6]	4:4:	2:2:2:1:	2:2:2:1:	P[6]-4:P[6]-4:	S[6]-2:S[6]-2:S-2:S-1:	S[6]-2:S[6]-2:S-2:S-1:	S[6](P[6]S[6]SS)2	P[6](S[6]P[6])(S[6]S[6])(SNi)(S)	P[6](S[6]P[6])(S[6]S[6])(SNi)(S)	S[6](P[6]S[6]SS)2{1|S<3>}	P[6](S[6]P[6])(S[6]S[6])(SNi)(S){1|S<1>,2|S<2>}	P[6](S[6]P[6])(S[6]S[6])(SNi)(S){1|S<1>,2|S<2>}	110.0670	0.156	2	110.0670	0.024	2	110.0670	0.024	2	110.0670	0.024	2	104.4519	20.240	6	102.8198	35.515	7
286	849	849	6:SP3_SP3_SP3	S[6]	P[6]	P[6]	4:4:	3:2:3:1:	3:2:2:1:	P[6]-4:P[6]-4:	C[6,6a]-3:S[6]-2:N-3:S-1:	C[6,6]-3:S[6]-2:S-2:S-1:	S[6](P[6]C[6,6a]NS)(P[6]C[6,6]SS)	P[6](C[6,6a]C[6,6,6a]C[6a])(S[6]P[6])(NSiC)(S)	P[6](C[6,6]C[6,6,6a]C[6])(S[6]P[6])(SSi)(S)	S[6](P[6]C[6,6a]NS)(P[6]C[6,6]SS){1|C<2>,2|C<3>}	P[6](C[6,6a]C[6,6,6a]C[6a])(S[6]P[6])(NSiC)(S){1|H<1>,1|S<1>,1|S<2>,3|C<3>}	P[6](C[6,6]C[6,6,6a]C[6])(S[6]P[6])(SSi)(S){1|N<3>,1|S<1>,3|C<3>}	102.7290	0.000	1	102.7290	0.000	1	102.7290	0.000	1	102.7290	0.000	1	104.4519	20.240	6	102.8198	35.515	7
286	849	849	6:SP3_SP3_SP3	S[6]	P[6]	P[6]	4:4:	3:2:4:4:	3:2:1:1:	P[6]-4:P[6]-4:	C[6,6a]-3:S[6]-2:C-4:C-4:	C[6,6a]-3:S[6]-2:S-1:S-1:	S[6](P[6]C[6,6a]CC)(P[6]C[6,6a]SS)	P[6](C[6,6a]C[6,6a,6a]C[6a])(S[6]P[6])(CCCH)2	P[6](C[6,6a]C[6,6a,6a]C[6a])(S[6]P[6])(S)2	S[6](P[6]C[6,6a]CC)(P[6]C[6,6a]SS){3|C<3>}	P[6](C[6,6a]C[6,6a,6a]C[6a])(S[6]P[6])(CCCH)2{1|H<1>,2|S<1>,3|C<3>}	P[6](C[6,6a]C[6,6a,6a]C[6a])(S[6]P[6])(S)2{1|H<1>,2|C<4>,3|C<3>}	100.5523	1.349	2	100.5523	1.819	2	100.5523	1.819	2	100.5523	1.819	2	104.4519	20.240	6	102.8198	35.515	7
286	849	849	6:SP3_SP3_SP3	S[6]	P[6]	P[6]	4:4:	3:3:3:2:	3:3:3:2:	P[6]-4:P[6]-4:	C[6a]-3:C[6a]-3:C[6]-3:S[6]-2:	C[6a]-3:C[6a]-3:C[6]-3:S[6]-2:	S[6](P[6]C[6a]2C[6])2	P[6](C[6a]C[6a]2)2(C[6]S[6]P)(S[6]P[6])	P[6](C[6a]C[6a]2)2(C[6]S[6]P)(S[6]P[6])	S[6](P[6]C[6a]2C[6])2{1|S<2>,2|P<4>,8|C<3>}	P[6](C[6a]C[6a]2)2(C[6]S[6]P)(S[6]P[6]){4|H<1>,7|C<3>}	P[6](C[6a]C[6a]2)2(C[6]S[6]P)(S[6]P[6]){4|H<1>,7|C<3>}	102.7440	0.000	1	102.7440	0.000	1	102.7440	0.000	1	102.7440	0.000	1	104.4519	20.240	6	102.8198	35.515	7
286	849	943	6:SP3_SP-NON_SP3	S[6]	P[6]	Ga[6]	4:4:	2:2:4:4:	2:2:1:1:	Ga[6]-4:P[6]-4:	S[6]-2:N[6]-2:C-4:C-4:	S[6]-2:S[6]-2:Cl-1:Cl-1:	S[6](Ga[6]S[6]Cl2)(P[6]N[6]CC)	P[6](S[6]Ga[6])(N[6]P[6])(CH3)2	Ga[6](S[6]P[6])2(Cl)2	S[6](Ga[6]S[6]Cl2)(P[6]N[6]CC){1|P<4>}	P[6](S[6]Ga[6])(N[6]P[6])(CH3)2{2|Cl<1>,1|S<2>,2|C<3>}	Ga[6](S[6]P[6])2(Cl)2{1|N<2>,2|C<3>,2|C<4>}	98.9267	0.000	1	98.9267	0.000	1	98.9267	0.000	1	98.9267	0.000	1	99.9475	2.579	8	99.9475	2.579	8
286	849	943	6:SP3_SP-NON_SP3	S[6]	P[6]	Ga[6]	4:4:	3:3:2:2:	2:2:1:1:	P[6]-4:Ga[6]-4:	C[6a]-3:C[6a]-3:S[6]-2:N[6]-2:	S[6]-2:S[6]-2:Cl-1:Cl-1:	S[6](P[6]C[6a]2N[6])(Ga[6]S[6]Cl2)	P[6](C[6a]C[6a]2)2(S[6]Ga[6])(N[6]P[6])	Ga[6](S[6]P[6])2(Cl)2	S[6](P[6]C[6a]2N[6])(Ga[6]S[6]Cl2){1|P<4>,4|C<3>}	P[6](C[6a]C[6a]2)2(S[6]Ga[6])(N[6]P[6]){2|Cl<1>,1|S<2>,2|C<4>,4|C<3>,4|H<1>}	Ga[6](S[6]P[6])2(Cl)2{1|N<2>,2|C<3>,2|C<4>}	101.4080	0.000	1	99.3342	3.227	3	99.3342	3.227	3	99.3342	3.227	3	99.9475	2.579	8	99.9475	2.579	8
286	849	943	6:SP3_SP-NON_SP3	S[6]	P[6]	Ga[6]	4:4:	3:3:2:2:	2:2:1:1:	P[6]-4:Ga[6]-4:	C[6a]-3:C[6a]-3:S[6]-2:N[6]-2:	S[6]-2:S[6]-2:Cl-1:Cl-1:	S[6](P[6]C[6a]2N[6])(Ga[6]S[6]Cl2)	P[6](C[6a]C[6a]2)2(S[6]Ga[6])(N[6]P[6])	Ga[6](S[6]P[6])2(Cl)2	S[6](P[6]C[6a]2N[6])(Ga[6]S[6]Cl2){1|P<4>,4|C<3>}	P[6](C[6a]C[6a]2)2(S[6]Ga[6])(N[6]P[6]){2|Cl<1>,1|S<2>,4|H<1>,6|C<3>}	Ga[6](S[6]P[6])2(Cl)2{1|N<2>,4|C<3>}	98.2973	0.060	2	99.3342	3.227	3	99.3342	3.227	3	99.3342	3.227	3	99.9475	2.579	8	99.9475	2.579	8
286	849	943	6:SP3_SP-NON_SP3	S[6]	P[6]	Ga[6]	4:4:	3:3:2:2:	2:2:4:1:	P[6]-4:Ga[6]-4:	C[6a]-3:C[6a]-3:S[6]-2:N[6]-2:	S[6]-2:S[6]-2:C-4:Cl-1:	S[6](P[6]C[6a]2N[6])(Ga[6]S[6]ClC)	P[6](C[6a]C[6a]2)2(S[6]Ga[6])(N[6]P[6])	Ga[6](S[6]P[6])2(CH3)(Cl)	S[6](P[6]C[6a]2N[6])(Ga[6]S[6]ClC){1|P<4>,4|C<3>}	P[6](C[6a]C[6a]2)2(S[6]Ga[6])(N[6]P[6]){1|Cl<1>,1|C<4>,1|S<2>,4|H<1>,6|C<3>}	Ga[6](S[6]P[6])2(CH3)(Cl){1|N<2>,4|C<3>}	99.9284	2.234	2	99.9284	4.990	2	99.9284	4.990	2	99.9284	4.990	2	99.9475	2.579	8	99.9475	2.579	8
286	849	943	6:SP3_SP-NON_SP3	S[6]	P[6]	Ga[6]	4:4:	3:3:3:2:	3:2:2:1:	Ga[6]-4:P[6]-4:	C[6]-3:C[6a]-3:C[6a]-3:S[6]-2:	C[6]-3:S[6]-2:S[6]-2:Cl-1:	S[6](Ga[6]C[6]S[6]Cl)(P[6]C[6a]2C[6])	P[6](C[6]Ga[6]P[6])(C[6a]C[6a]2)2(S[6]Ga[6])	Ga[6](C[6]P[6]2)(S[6]P[6])2(Cl)	S[6](Ga[6]C[6]S[6]Cl)(P[6]C[6a]2C[6]){1|Ga<4>,3|P<4>,4|C<3>}	P[6](C[6]Ga[6]P[6])(C[6a]C[6a]2)2(S[6]Ga[6]){2|Cl<1>,3|S<2>,4|H<1>,7|C<3>}	Ga[6](C[6]P[6]2)(S[6]P[6])2(Cl){2|S<2>,9|C<3>}	101.3970	0.482	2	101.3970	0.233	2	101.3970	0.233	2	101.3970	0.233	2	99.9475	2.579	8	99.9475	2.579	8
286	914	914	6:SP2_SP2_SP2	S[6]	N[6]	N[6]	2:2:	2:2:	2:2:	N[6]-2:N[6]-2:	S[6]-2:S[6]-2:	S[6]-2:S[6]-2:	S[6](N[6]S[6])2	N[6](S[6]N[6])2	N[6](S[6]N[6])2	S[6](N[6]S[6])2{1|N<2>}	N[6](S[6]N[6])2{1|S<2>}	N[6](S[6]N[6])2{1|S<2>}	116.1320	1.184	3	116.1320	1.403	3	116.1320	1.403	3	116.1320	1.403	3	112.5527	21.006	29	112.5527	21.006	29
286	914	914	6:SP2_SP2_SP2	S[6]	N[6]	N[6]	2:2:	3:2:	2:2:	N[6]-2:N[6]-2:	C[6,6a]-3:S[6]-2:	Se[6]-2:S[6]-2:	S[6](N[6]C[6,6a])(N[6]Se[6])	N[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6])	N[6](Se[6]C[6,6a])(S[6]N[6])	S[6](N[6]C[6,6a])(N[6]Se[6]){2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6]){1|Se<2>,1|F<1>,2|C<3>}	N[6](Se[6]C[6,6a])(S[6]N[6]){2|C<3>}	120.6463	0.602	4	120.6463	0.363	4	120.6463	0.363	4	118.7468	8.876	6	112.5527	21.006	29	112.5527	21.006	29
286	914	914	6:SP2_SP2_SP2	S[6]	N[6]	N[6]	2:2:	3:2:	2:2:	N[6]-2:N[6]-2:	S[6]-3:S[6]-2:	S[6]-2:S[6]-2:	S[6](N[6]S[6])2	N[6](S[6]N[6]N)(S[6]N[6])	N[6](S[6]N[6])2	S[6](N[6]S[6])2{2|N<2>}	N[6](S[6]N[6]N)(S[6]N[6]){1|S<2>}	N[6](S[6]N[6])2{1|S<3>}	114.9480	0.017	2	114.9480	0.000	2	114.9480	0.000	2	118.7468	8.876	6	112.5527	21.006	29	112.5527	21.006	29
286	914	914	6:SP2_SP2_SP2	S[6]	N[6]	N[6]	2:2:	3:2:	3:2:	N[6]-2:N[6]-2:	C[6]-3:S[6]-2:	C[6]-3:S[6]-2:	S[6](N[6]C[6])2	N[6](C[6]C[5,6]C[6a])(S[6]N[6])	N[6](C[6]C[5,6]C[6a])(S[6]N[6])	S[6](N[6]C[6])2{1|C<4>,2|C<3>}	N[6](C[6]C[5,6]C[6a])(S[6]N[6]){2|O<2>,3|C<3>}	N[6](C[6]C[5,6]C[6a])(S[6]N[6]){2|O<2>,3|C<3>}	108.4070	0.000	1	108.4070	0.000	1	109.6219	2.699	19	110.1575	8.295	20	112.5527	21.006	29	112.5527	21.006	29
286	914	914	6:SP2_SP2_SP2	S[6]	N[6]	N[6]	2:2:	3:2:	3:2:	N[6]-2:N[6]-2:	C[6]-3:S[6]-2:	C[6]-3:S[6]-2:	S[6](N[6]C[6])2	N[6](C[6]C[6]Cl)(S[6]N[6])	N[6](C[6]C[6]Cl)(S[6]N[6])	S[6](N[6]C[6])2{2|Cl<1>,1|C<3>}	N[6](C[6]C[6]Cl)(S[6]N[6]){1|C<3>,1|N<2>}	N[6](C[6]C[6]Cl)(S[6]N[6]){1|C<3>,1|N<2>}	108.0960	0.000	1	108.0960	0.000	1	109.6219	2.699	19	110.1575	8.295	20	112.5527	21.006	29	112.5527	21.006	29
286	914	914	6:SP2_SP2_SP2	S[6]	N[6]	N[6]	2:2:	3:2:	3:2:	N[6]-2:N[6]-2:	C[6]-3:S[6]-2:	C[6]-3:S[6]-2:	S[6](N[6]C[6])2	N[6](C[6]C[6]N[6])(S[6]N[6])	N[6](C[6]C[6]N[6])(S[6]N[6])	S[6](N[6]C[6])2{1|N<3>,2|C<3>}	N[6](C[6]C[6]N[6])(S[6]N[6]){1|Fe<5>,1|N<3>,2|C<3>}	N[6](C[6]C[6]N[6])(S[6]N[6]){1|Fe<5>,1|N<3>,2|C<3>}	108.1480	0.000	1	108.1480	0.000	1	109.6219	2.699	19	110.1575	8.295	20	112.5527	21.006	29	112.5527	21.006	29
286	914	914	6:SP2_SP2_SP2	S[6]	N[6]	N[6]	2:2:	3:2:	3:2:	N[6]-2:N[6]-2:	C[6]-3:S[6]-2:	C[6]-3:S[6]-2:	S[6](N[6]C[6])2	N[6](C[6]C[6a]N[6])(S[6]N[6])	N[6](C[6]C[6a]N[6])(S[6]N[6])	S[6](N[6]C[6])2{1|N<2>,2|C<3>}	N[6](C[6]C[6a]N[6])(S[6]N[6]){1|N<2>,2|C<3>}	N[6](C[6]C[6a]N[6])(S[6]N[6]){1|N<2>,2|C<3>}	109.7195	0.837	4	110.5892	4.694	8	109.6219	2.699	19	110.1575	8.295	20	112.5527	21.006	29	112.5527	21.006	29
286	914	914	6:SP2_SP2_SP2	S[6]	N[6]	N[6]	2:2:	3:2:	3:2:	N[6]-2:N[6]-2:	C[6]-3:S[6]-2:	C[6]-3:S[6]-2:	S[6](N[6]C[6])2	N[6](C[6]C[6a]N[6])(S[6]N[6])	N[6](C[6]C[6a]N[6])(S[6]N[6])	S[6](N[6]C[6])2{1|N<2>,2|C<3>}	N[6](C[6]C[6a]N[6])(S[6]N[6]){3|C<3>}	N[6](C[6]C[6a]N[6])(S[6]N[6]){3|C<3>}	112.8910	0.216	3	110.5892	4.694	8	109.6219	2.699	19	110.1575	8.295	20	112.5527	21.006	29	112.5527	21.006	29
286	914	914	6:SP2_SP2_SP2	S[6]	N[6]	N[6]	2:2:	3:2:	3:2:	N[6]-2:N[6]-2:	C[6]-3:S[6]-2:	C[6]-3:S[6]-2:	S[6](N[6]C[6])2	N[6](C[6]C[6a]N[6])(S[6]N[6])	N[6](C[6]C[6a]N[6])(S[6]N[6])	S[6](N[6]C[6])2{1|N<3>,2|C<3>}	N[6](C[6]C[6a]N[6])(S[6]N[6]){1|H<1>,1|N<2>,2|C<3>}	N[6](C[6]C[6a]N[6])(S[6]N[6]){1|H<1>,1|N<2>,2|C<3>}	107.1630	0.000	1	110.5892	4.694	8	109.6219	2.699	19	110.1575	8.295	20	112.5527	21.006	29	112.5527	21.006	29
286	914	914	6:SP2_SP2_SP2	S[6]	N[6]	N[6]	2:2:	3:2:	3:2:	N[6]-2:N[6]-2:	C[6]-3:S[6]-2:	C[6]-3:S[6]-2:	S[6](N[6]C[6])2	N[6](C[6]C[6a]N[6])(S[6]N[6])	N[6](C[6]N[6]C)(S[6]N[6])	S[6](N[6]C[6])2{1|C<3>,1|C<4>,1|N<2>}	N[6](C[6]C[6a]N[6])(S[6]N[6]){3|C<3>}	N[6](C[6]N[6]C)(S[6]N[6]){1|C<3>}	109.1814	0.317	8	109.1814	0.101	8	109.6219	2.699	19	110.1575	8.295	20	112.5527	21.006	29	112.5527	21.006	29
286	914	914	6:SP2_SP2_SP2	S[6]	N[6]	N[6]	2:2:	3:2:	3:2:	N[6]-2:N[6]-2:	S[6,6]-3:S[6]-2:	S[6,6]-3:S[6]-2:	S[6](N[6]S[6,6])2	N[6](S[6,6]N[6,6]N[6])(S[6]N[6])	N[6](S[6,6]N[6,6]N[6])(S[6]N[6])	S[6](N[6]S[6,6])2{3|N<2>}	N[6](S[6,6]N[6,6]N[6])(S[6]N[6]){1|C<3>,1|S<3>}	N[6](S[6,6]N[6,6]N[6])(S[6]N[6]){1|C<3>,1|S<3>}	120.3350	0.000	1	120.3350	0.000	1	120.3350	0.000	1	110.1575	8.295	20	112.5527	21.006	29	112.5527	21.006	29
286	943	943	6:SP3_SP-NON_SP-NON	S[6,6]	Ga[3x6]	Ga[6x6]	4:4:	2:2:2:3:	3:3:2:2:	Ga[6x6]-4:Ga[3x6]-4:	S[6,6]-2:S[6,6]-2:S[6,6]-2:N[6]-3:	S[6x6]-3:S[6x6]-3:S[6,6]-2:S[6,6]-2:	S[6,6](Ga[6x6]S[6,6]S[6x6]2)(Ga[3x6]S[6,6]2N[6])	Ga[3x6](S[6,6]Ga[6x6])3(N[6]C[6]2)	Ga[6x6](S[6x6]Ga[6x6]2)2(S[6,6]Ga[3x6])2	S[6,6](Ga[6x6]S[6,6]S[6x6]2)(Ga[3x6]S[6,6]2N[6]){5|Ga<4>,2|C<3>}	Ga[3x6](S[6,6]Ga[6x6])3(N[6]C[6]2){2|C<3>,2|H<1>,3|S<2>,3|S<3>}	Ga[6x6](S[6x6]Ga[6x6]2)2(S[6,6]Ga[3x6])2{2|N<3>,2|S<3>,8|S<2>}	101.0204	0.759	19	101.0204	0.575	19	101.0204	0.575	19	101.0204	0.575	19	101.0204	0.575	19	101.2306	2.861	43
286	943	943	6:SP3_SP-NON_SP-NON	S[6,6]	Ga[6,6]	Ga[6,6]	4:4:	2:3:2:2:	2:3:2:2:	Ga[6,6]-4:Ga[6,6]-4:	S[6,6]-2:N[6]-3:S[6]-2:S[6]-2:	S[6,6]-2:N[6]-3:S[6]-2:S[6]-2:	S[6,6](Ga[6,6]N[6]S[6]2)2	Ga[6,6](S[6,6]Ga[6,6])(N[6]C[6]2)(S[6]Ga[6])2	Ga[6,6](S[6,6]Ga[6,6])(N[6]C[6]2)(S[6]Ga[6])2	S[6,6](Ga[6,6]N[6]S[6]2)2{2|Ga<4>,4|C<3>}	Ga[6,6](S[6,6]Ga[6,6])(N[6]C[6]2)(S[6]Ga[6])2{2|C<3>,2|H<1>,2|S<2>,5|N<3>}	Ga[6,6](S[6,6]Ga[6,6])(N[6]C[6]2)(S[6]Ga[6])2{2|C<3>,2|H<1>,2|S<2>,5|N<3>}	100.1950	0.000	1	100.1950	0.000	1	100.1950	0.000	1	100.1950	0.000	1	100.1950	0.000	1	101.2306	2.861	43
286	943	943	6:SP3_SP-NON_SP-NON	S[6,6]	Ga[6x6]	Ga[3x6]	4:4:	3:3:2:2:	2:2:2:1:	Ga[6x6]-4:Ga[3x6]-4:	S[6x6]-3:S[6x6]-3:S[6,6]-2:S[6,6]-2:	S[6,6]-2:S[6,6]-2:S[6,6]-2:S-1:	S[6,6](Ga[6x6]S[6,6]S[6x6]2)(Ga[3x6]S[6,6]2S)	Ga[6x6](S[6x6]Ga[6x6]2)2(S[6,6]Ga[3x6])2	Ga[3x6](S[6,6]Ga[6x6])3(S)	S[6,6](Ga[6x6]S[6,6]S[6x6]2)(Ga[3x6]S[6,6]2S){5|Ga<4>}	Ga[6x6](S[6x6]Ga[6x6]2)2(S[6,6]Ga[3x6])2{1|N<3>,1|S<1>,2|S<3>,8|S<2>}	Ga[3x6](S[6,6]Ga[6x6])3(S){3|S<2>,3|S<3>}	103.4120	0.526	3	103.4120	0.276	3	103.4120	0.276	3	103.4120	0.276	3	101.3196	2.483	12	101.2306	2.861	43
286	943	943	6:SP3_SP-NON_SP-NON	S[6,6]	Ga[6x6]	Ga[3x6]	4:4:	3:3:2:2:	2:2:2:3:	Ga[6x6]-4:Ga[3x6]-4:	S[6x6]-3:S[6x6]-3:S[6,6]-2:S[6,6]-2:	S[6,6]-2:S[6,6]-2:S[6,6]-2:N[6]-3:	S[6,6](Ga[6x6]S[6,6]S[6x6]2)(Ga[3x6]S[6,6]2N[6])	Ga[6x6](S[6x6]Ga[6x6]2)2(S[6,6]Ga[3x6])2	Ga[3x6](S[6,6]Ga[6x6])3(N[6]C[6]2)	S[6,6](Ga[6x6]S[6,6]S[6x6]2)(Ga[3x6]S[6,6]2N[6]){5|Ga<4>,2|C<3>}	Ga[6x6](S[6x6]Ga[6x6]2)2(S[6,6]Ga[3x6])2{1|N<3>,1|N<4>,2|S<3>,8|S<2>}	Ga[3x6](S[6,6]Ga[6x6])3(N[6]C[6]2){2|C<3>,2|H<1>,3|S<2>,3|S<3>}	100.2225	0.628	3	100.4959	1.771	6	100.4959	1.771	6	100.4959	1.771	6	101.3196	2.483	12	101.2306	2.861	43
286	943	943	6:SP3_SP-NON_SP-NON	S[6,6]	Ga[6x6]	Ga[3x6]	4:4:	3:3:2:2:	2:2:2:3:	Ga[6x6]-4:Ga[3x6]-4:	S[6x6]-3:S[6x6]-3:S[6,6]-2:S[6,6]-2:	S[6,6]-2:S[6,6]-2:S[6,6]-2:N[6]-3:	S[6,6](Ga[6x6]S[6,6]S[6x6]2)(Ga[3x6]S[6,6]2N[6])	Ga[6x6](S[6x6]Ga[6x6]2)2(S[6,6]Ga[3x6])2	Ga[3x6](S[6,6]Ga[6x6])3(N[6]C[6]2)	S[6,6](Ga[6x6]S[6,6]S[6x6]2)(Ga[3x6]S[6,6]2N[6]){5|Ga<4>,2|C<3>}	Ga[6x6](S[6x6]Ga[6x6]2)2(S[6,6]Ga[3x6])2{1|N<3>,1|S<1>,2|S<3>,8|S<2>}	Ga[3x6](S[6,6]Ga[6x6])3(N[6]C[6]2){2|C<3>,2|H<1>,3|S<2>,3|S<3>}	100.7693	1.952	3	100.4959	1.771	6	100.4959	1.771	6	100.4959	1.771	6	101.3196	2.483	12	101.2306	2.861	43
286	943	943	6:SP3_SP-NON_SP-NON	S[6,6]	Ga[6x6]	Ga[3x6]	4:4:	3:3:2:2:	2:2:2:4:	Ga[6x6]-4:Ga[3x6]-4:	S[6x6]-3:S[6x6]-3:S[6,6]-2:S[6,6]-2:	S[6,6]-2:S[6,6]-2:S[6,6]-2:N-4:	S[6,6](Ga[6x6]S[6,6]S[6x6]2)(Ga[3x6]S[6,6]2N)	Ga[6x6](S[6x6]Ga[6x6]2)2(S[6,6]Ga[3x6])2	Ga[3x6](S[6,6]Ga[6x6])3(NH3)	S[6,6](Ga[6x6]S[6,6]S[6x6]2)(Ga[3x6]S[6,6]2N){5|Ga<4>}	Ga[6x6](S[6x6]Ga[6x6]2)2(S[6,6]Ga[3x6])2{1|N<3>,1|N<4>,2|S<3>,8|S<2>}	Ga[3x6](S[6,6]Ga[6x6])3(NH3){3|S<2>,3|S<3>}	100.8747	0.225	3	100.8747	0.050	3	100.8747	0.050	3	100.8747	0.050	3	101.3196	2.483	12	101.2306	2.861	43
286	943	943	6:SP3_SP-NON_SP-NON	S[6]	Ga[6,6]	Ga[6]	4:4:	2:3:2:2:	2:2:3:3:	Ga[6,6]-4:Ga[6]-4:	S[6,6]-2:N[6]-3:S[6]-2:S[6]-2:	S[6]-2:S[6]-2:N[6]-3:N[6]-3:	S[6](Ga[6,6]S[6,6]N[6]S[6])(Ga[6]N[6]2S[6])	Ga[6,6](S[6,6]Ga[6,6])(N[6]C[6]2)(S[6]Ga[6])2	Ga[6](S[6]Ga[6,6])2(N[6]C[6]2)2	S[6](Ga[6,6]S[6,6]N[6]S[6])(Ga[6]N[6]2S[6]){2|Ga<4>,6|C<3>}	Ga[6,6](S[6,6]Ga[6,6])(N[6]C[6]2)(S[6]Ga[6])2{2|C<3>,2|H<1>,2|S<2>,5|N<3>}	Ga[6](S[6]Ga[6,6])2(N[6]C[6]2)2{2|N<3>,3|S<2>,4|C<3>,4|H<1>}	100.5620	0.767	2	100.5620	0.588	2	100.5620	0.588	2	100.5620	0.588	2	100.5620	0.588	2	101.2306	2.861	43
286	943	943	6:SP3_SP-NON_SP-NON	S[6]	Ga[6]	Ga[6]	4:4:	3:2:2:1:	3:2:2:1:	Ga[6]-4:Ga[6]-4:	N[6]-3:S[6]-2:S[6]-2:Br-1:	N[6]-3:S[6]-2:S[6]-2:Br-1:	S[6](Ga[6]N[6]S[6]Br)2	Ga[6](N[6]C[6]2)(S[6]Ga[6])2(Br)	Ga[6](N[6]C[6]2)(S[6]Ga[6])2(Br)	S[6](Ga[6]N[6]S[6]Br)2{1|Ga<4>,4|C<3>}	Ga[6](N[6]C[6]2)(S[6]Ga[6])2(Br){2|Br<1>,1|S<2>,2|C<3>,2|H<1>,2|N<3>}	Ga[6](N[6]C[6]2)(S[6]Ga[6])2(Br){2|Br<1>,1|S<2>,2|C<3>,2|H<1>,2|N<3>}	100.6157	2.790	6	100.6157	7.784	6	100.6157	7.784	6	101.8193	9.483	9	101.8193	9.483	9	101.2306	2.861	43
286	943	943	6:SP3_SP-NON_SP-NON	S[6]	Ga[6]	Ga[6]	4:4:	3:2:2:1:	3:2:2:1:	Ga[6]-4:Ga[6]-4:	N[6]-3:S[6]-2:S[6]-2:Cl-1:	N[6]-3:S[6]-2:S[6]-2:Cl-1:	S[6](Ga[6]N[6]S[6]Cl)2	Ga[6](N[6]C[6]2)(S[6]Ga[6])2(Cl)	Ga[6](N[6]C[6]2)(S[6]Ga[6])2(Cl)	S[6](Ga[6]N[6]S[6]Cl)2{1|Ga<4>,4|C<3>}	Ga[6](N[6]C[6]2)(S[6]Ga[6])2(Cl){2|Cl<1>,1|S<2>,2|C<3>,2|H<1>,2|N<3>}	Ga[6](N[6]C[6]2)(S[6]Ga[6])2(Cl){2|Cl<1>,1|S<2>,2|C<3>,2|H<1>,2|N<3>}	104.2263	2.332	3	104.2263	5.437	3	104.2263	5.437	3	101.8193	9.483	9	101.8193	9.483	9	101.2306	2.861	43
290	790	790	0:SPD9_SP-NON_SP-NON	C	Cl	Cl	1:1:1:1:1:1:1:1:1:	9:	9:	Cl-1:Cl-1:Cl-1:Cl-1:Cl-1:Cl-1:Cl-1:Cl-1:Cl-1:	C-9:	C-9:	C(Cl)9	Cl(CCl8)	Cl(CCl8)	C(Cl)9	Cl(CCl8)	Cl(CCl8)	86.0662	40.482	36	86.0662	1638.831	36	86.0662	1638.831	36	86.0662	1638.831	36	86.0662	1638.831	36	86.0662	1638.831	36
294	622	622	6:SP-NON_SP3_SP3	Cl[6]	O[6]	O[6]	2:2:1:1:	4:2:	4:2:	O[6]-2:O[6]-2:O-1:O-1:	Cl[6]-4:O[6]-2:	Cl[6]-4:O[6]-2:	Cl[6](O[6]O[6])2(O)2	O[6](Cl[6]O[6]OO)(O[6]Cl[6])	O[6](Cl[6]O[6]OO)(O[6]Cl[6])	Cl[6](O[6]O[6])2(O)2{1|Cl<4>}	O[6](Cl[6]O[6]OO)(O[6]Cl[6]){1|O<2>,2|O<1>}	O[6](Cl[6]O[6]OO)(O[6]Cl[6]){1|O<2>,2|O<1>}	110.6860	0.000	1	110.6860	0.000	1	110.6860	0.000	1	110.6860	0.000	1	110.6860	0.000	1	110.6860	0.000	1
294	622	863	0:SP-NON_SP2_SP3	Cl[6]	O[6]	O	2:2:1:1:	4:2:	4:	O[6]-2:O[6]-2:O-1:O-1:	Cl[6]-4:O[6]-2:	Cl[6]-4:	Cl[6](O[6]O[6])2(O)2	O[6](Cl[6]O[6]OO)(O[6]Cl[6])	O(Cl[6]O[6]2O)	Cl[6](O[6]O[6])2(O)2{1|Cl<4>}	O[6](Cl[6]O[6]OO)(O[6]Cl[6]){1|O<2>,2|O<1>}	O(Cl[6]O[6]2O)	109.2472	2.842	4	109.2472	8.076	4	109.2472	8.076	4	109.2472	8.076	4	109.2472	8.076	4	109.2472	8.076	4
294	863	863	0:SP-NON_SP2_SP2	Cl[6]	O	O	2:2:1:1:	4:	4:	O[6]-2:O[6]-2:O-1:O-1:	Cl[6]-4:	Cl[6]-4:	Cl[6](O[6]O[6])2(O)2	O(Cl[6]O[6]2O)	O(Cl[6]O[6]2O)	Cl[6](O[6]O[6])2(O)2{1|Cl<4>}	O(Cl[6]O[6]2O)	O(Cl[6]O[6]2O)	108.9070	0.000	1	108.9070	0.000	1	108.9070	0.000	1	108.9070	0.000	1	108.9070	0.000	1	108.9070	0.000	1
302	863	863	0:SPD5_SP2_SP2	Cl[3]	O	O	2:2:1:1:1:	5:	5:	O[3]-2:O[3]-2:O-1:O-1:O-1:	Cl[3]-5:	Cl[3]-5:	Cl[3](O[3]O[3])2(O)3	O(Cl[3]O[3]2OO)	O(Cl[3]O[3]2OO)	Cl[3](O[3]O[3])2(O)3	O(Cl[3]O[3]2OO)	O(Cl[3]O[3]2OO)	108.6720	2.835	3	108.6720	8.036	3	108.6720	8.036	3	108.6720	8.036	3	108.6720	8.036	3	108.6720	8.036	3
302	863	962	0:SPD5_SP2_SP3	Cl[3]	O	O[3]	2:2:1:1:1:	5:	5:2:	O[3]-2:O[3]-2:O-1:O-1:O-1:	Cl[3]-5:	Cl[3]-5:O[3]-2:	Cl[3](O[3]O[3])2(O)3	O(Cl[3]O[3]2OO)	O[3](Cl[3]O[3]O3)(O[3]Cl[3])	Cl[3](O[3]O[3])2(O)3	O(Cl[3]O[3]2OO)	O[3](Cl[3]O[3]O3)(O[3]Cl[3])	108.7712	31.357	6	108.7712	983.256	6	108.7712	983.256	6	108.7712	983.256	6	108.7712	983.256	6	108.7712	983.256	6
302	962	962	3:SPD5_SP3_SP3	Cl[3]	O[3]	O[3]	2:2:1:1:1:	5:2:	5:2:	O[3]-2:O[3]-2:O-1:O-1:O-1:	Cl[3]-5:O[3]-2:	Cl[3]-5:O[3]-2:	Cl[3](O[3]O[3])2(O)3	O[3](Cl[3]O[3]O3)(O[3]Cl[3])	O[3](Cl[3]O[3]O3)(O[3]Cl[3])	Cl[3](O[3]O[3])2(O)3	O[3](Cl[3]O[3]O3)(O[3]Cl[3])	O[3](Cl[3]O[3]O3)(O[3]Cl[3])	68.7941	0.000	1	68.7941	0.000	1	68.7941	0.000	1	68.7941	0.000	1	68.7941	0.000	1	68.7941	0.000	1
307	307	769	4:SP2_SP2_SP2	S[4a]	S[4a]	C[4a]	3:2:	3:2:	3:2:1:	C[4a]-3:S[4a]-2:	C[4a]-3:S[4a]-2:	C[4a]-3:S[4a]-2:N-1:	S[4a](C[4a]C[4a]N)(S[4a]C[4a])	S[4a](C[4a]C[4a]N)(S[4a]C[4a])	C[4a](C[4a]S[4a]N)(S[4a]S[4a])(N)	S[4a](C[4a]C[4a]N)(S[4a]C[4a]){1|N<1>}	S[4a](C[4a]C[4a]N)(S[4a]C[4a]){1|N<1>}	C[4a](C[4a]S[4a]N)(S[4a]S[4a])(N)	13.1198	0.000	1	13.1198	0.000	1	13.1198	0.000	1	13.1198	0.000	1	65.2841	850.361	5	65.2841	850.361	5
307	307	769	4:SP2_SP2_SP2	S[4a]	S[4a]	C[4a]	3:2:	3:2:	3:4:2:	C[4a]-3:S[4a]-2:	C[4a]-3:S[4a]-2:	C[4a]-3:C[3x6]-4:S[4a]-2:	S[4a](C[4a]C[3x6]C[4a])(S[4a]C[4a])	S[4a](C[4a]C[3x6]C[4a])(S[4a]C[4a])	C[4a](C[4a]C[3x6]S[4a])(C[3x6]C[6,6]3)(S[4a]S[4a])	S[4a](C[4a]C[3x6]C[4a])(S[4a]C[4a]){4|C<4>}	S[4a](C[4a]C[3x6]C[4a])(S[4a]C[4a]){4|C<4>}	C[4a](C[4a]C[3x6]S[4a])(C[3x6]C[6,6]3)(S[4a]S[4a]){6|C<4>,6|H<1>}	78.3252	0.126	4	78.3252	0.016	4	78.3252	0.016	4	78.3252	0.016	4	65.2841	850.361	5	65.2841	850.361	5
307	769	769	4:SP2_SP2_SP2	S[4a]	C[4a]	C[4a]	3:3:	3:2:3:	3:2:2:	C[4a]-3:C[4a]-3:	N[4a]-3:S[4a]-2:C-3:	N[4a]-3:S[4a]-2:N-2:	S[4a](C[4a]N[4a]C)(C[4a]N[4a]N)	C[4a](N[4a]C[4a]C[6a])(S[4a]C[4a])(CHN)	C[4a](N[4a]C[4a]C[6a])(S[4a]C[4a])(NC[6a])	S[4a](C[4a]N[4a]C)(C[4a]N[4a]N){1|C<3>}	C[4a](N[4a]C[4a]C[6a])(S[4a]C[4a])(CHN){1|N<2>,2|C<3>}	C[4a](N[4a]C[4a]C[6a])(S[4a]C[4a])(NC[6a]){3|C<3>}	72.6249	0.069	3	72.6249	0.005	3	72.6249	0.005	3	72.6249	0.005	3	72.6249	0.005	3	72.6249	0.005	3
310	2	643	0:SP3_SP2_SP2	Ge	B[5]	C[6a]	3:3:3:3:	4:2:2:	4:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:B[5]-3:	Ge-4:O[5]-2:O[5]-2:	Ge-4:C[6a]-3:C[6a]-3:	Ge(C[6a]C[6a]2)3(B[5]O[5]2)	B[5](GeC[6a]3)(O[5]C[5])2	C[6a](GeC[6a]2B[5])(C[6a]C[6a]H)2	Ge(C[6a]C[6a]2)3(B[5]O[5]2)	B[5](GeC[6a]3)(O[5]C[5])2{4|C<4>}	C[6a](GeC[6a]2B[5])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	110.8235	2.477	6	110.8235	6.137	6	110.8235	6.137	6	110.8235	6.137	6	110.8235	6.137	6	110.8235	6.137	6
310	3	310	0:SP3_SP2_SP3	Ge	B[5a]	Ge	3:4:1:1:	3:3:4:	3:4:1:1:	B[5a]-3:Ge-4:H-1:H-1:	N[5a]-3:N[5a]-3:Ge-4:	B[5a]-3:Ge-4:H-1:H-1:	Ge(B[5a]N[5a]2)(GeB[5a]HH)(H)2	B[5a](N[5a]C[5a]C[6a])2(GeGeHH)	Ge(B[5a]N[5a]2)(GeB[5a]HH)(H)2	Ge(B[5a]N[5a]2)(GeB[5a]HH)(H)2	B[5a](N[5a]C[5a]C[6a])2(GeGeHH){2|H<1>,4|C<3>}	Ge(B[5a]N[5a]2)(GeB[5a]HH)(H)2	114.2040	0.000	1	114.2040	0.000	1	114.2040	0.000	1	114.2040	0.000	1	114.2040	0.000	1	114.2040	0.000	1
310	3	951	0:SP3_SP-NON_SP2	Ge	B[5a]	H	3:4:1:1:	3:3:4:	4:	B[5a]-3:Ge-4:H-1:H-1:	N[5a]-3:N[5a]-3:Ge-4:	Ge-4:	Ge(B[5a]N[5a]2)(GeB[5a]HH)(H)2	B[5a](N[5a]C[5a]C[6a])2(GeGeHH)	H(GeB[5a]GeH)	Ge(B[5a]N[5a]2)(GeB[5a]HH)(H)2	B[5a](N[5a]C[5a]C[6a])2(GeGeHH){2|H<1>,4|C<3>}	H(GeB[5a]GeH)	111.6475	3.596	2	111.6475	12.929	2	111.6475	12.929	2	111.6475	12.929	2	111.6475	12.929	2	111.6475	12.929	2
310	210	490	0:SP3_SP1_SP3	Ge	Ge	C	4:2:1:1:	4:4:	3:4:4:1:	C-4:Ge-2:Cl-1:Cl-1:	Ge-4:Ge-4:	C[6a]-3:Ge-4:P-4:H-1:	Ge(CC[6a]HP)(GeGe)(Cl)2	Ge(GeCl2C)2	C(C[6a]C[6a]N[6a])(GeCl2Ge)(PCCS)(H)	Ge(CC[6a]HP)(GeGe)(Cl)2	Ge(GeCl2C)2	C(C[6a]C[6a]N[6a])(GeCl2Ge)(PCCS)(H)	117.1875	2.535	2	117.1875	6.426	2	117.1875	6.426	2	117.1875	6.426	2	117.1875	6.426	2	117.1875	6.426	2
310	210	790	0:SP3_SP-NON_SP1	Ge	Ge	Cl	4:2:1:1:	4:4:	4:	C-4:Ge-2:Cl-1:Cl-1:	Ge-4:Ge-4:	Ge-4:	Ge(CC[6a]HP)(GeGe)(Cl)2	Ge(GeCl2C)2	Cl(GeClGeC)	Ge(CC[6a]HP)(GeGe)(Cl)2	Ge(GeCl2C)2	Cl(GeClGeC)	115.2518	6.347	4	115.2518	40.280	4	115.2518	40.280	4	115.2518	40.280	4	115.2518	40.280	4	115.2518	40.280	4
310	310	310	0:SP3_SP3_SP3	Ge	Ge	Ge	3:3:4:4:	3:3:3:4:	3:3:3:4:	C[6a]-3:C[6a]-3:Ge-4:Ge-4:	C[6a]-3:C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:C[6a]-3:Ge-4:	Ge(C[6a]C[6a]2)2(GeC[6a]3)2	Ge(C[6a]C[6a]2)3(GeC[6a]2Ge)	Ge(C[6a]C[6a]2)3(GeC[6a]2Ge)	Ge(C[6a]C[6a]2)2(GeC[6a]3)2	Ge(C[6a]C[6a]2)3(GeC[6a]2Ge)	Ge(C[6a]C[6a]2)3(GeC[6a]2Ge)	124.0980	0.000	1	124.0980	0.000	1	124.0980	0.000	1	124.0980	0.000	1	112.3339	28.086	47	112.3339	28.086	47
310	310	310	0:SP3_SP3_SP3	Ge	Ge	Ge	3:3:4:4:	3:3:4:1:	3:3:4:1:	C[6a]-3:C[6a]-3:Ge-4:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:H-1:	C[6a]-3:C[6a]-3:Ge-4:H-1:	Ge(C[6a]C[6a]2)2(GeC[6a]2H)2	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)(H)	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)(H)	Ge(C[6a]C[6a]2)2(GeC[6a]2H)2	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)(H)	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)(H)	118.9440	0.000	1	118.9440	0.000	1	118.9440	0.000	1	118.9440	0.000	1	112.3339	28.086	47	112.3339	28.086	47
310	310	310	0:SP3_SP3_SP3	Ge	Ge	Ge	3:3:4:4:	3:3:4:4:	3:3:3:4:	C[6a]-3:C[6a]-3:Ge-4:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:Ge-4:	C[6a]-3:C[6a]-3:C[6a]-3:Ge-4:	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)(GeC[6a]3)	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)(GeC[6a]2H)	Ge(C[6a]C[6a]2)3(GeC[6a]2Ge)	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)(GeC[6a]3)	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)(GeC[6a]2H)	Ge(C[6a]C[6a]2)3(GeC[6a]2Ge)	119.5310	0.000	1	119.5310	0.000	1	117.2807	4.097	3	117.2807	4.097	3	112.3339	28.086	47	112.3339	28.086	47
310	310	310	0:SP3_SP3_SP3	Ge	Ge	Ge	3:3:4:4:	3:3:4:4:	3:3:3:4:	C[6a]-3:C[6a]-3:Ge-4:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:Ge-4:	C[6a]-3:C[6a]-3:C[6a]-3:Ge-4:	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)(GeC[6a]3)	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)2	Ge(C[6a]C[6a]2)3(GeC[6a]2Ge)	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)(GeC[6a]3)	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)2	Ge(C[6a]C[6a]2)3(GeC[6a]2Ge)	116.1555	0.773	2	116.1555	0.597	2	117.2807	4.097	3	117.2807	4.097	3	112.3339	28.086	47	112.3339	28.086	47
310	310	310	0:SP3_SP3_SP3	Ge	Ge	Ge	3:3:4:4:	3:3:4:4:	3:3:4:1:	C[6a]-3:C[6a]-3:Ge-4:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:H-1:	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)(GeC[6a]2H)	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)(GeC[6a]3)	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)(H)	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)(GeC[6a]2H)	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)(GeC[6a]3)	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)(H)	110.2240	0.000	1	110.2240	0.000	1	110.2240	0.000	1	110.2240	0.000	1	112.3339	28.086	47	112.3339	28.086	47
310	310	310	0:SP3_SP3_SP3	Ge	Ge	Ge	3:3:4:4:	3:3:4:4:	3:3:4:4:	C[6a]-3:C[6a]-3:Ge-4:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:Ge-4:	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)2	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)(GeC3)	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)(GeC3)	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)2	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)(GeC3)	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)(GeC3)	114.3470	0.000	1	114.3470	0.000	1	114.2507	0.009	3	114.2507	0.009	3	112.3339	28.086	47	112.3339	28.086	47
310	310	310	0:SP3_SP3_SP3	Ge	Ge	Ge	3:3:4:4:	3:3:4:4:	3:3:4:4:	C[6a]-3:C[6a]-3:Ge-4:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:Ge-4:	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)2	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)(GeC3)	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)2	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)2	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)(GeC3)	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)2	114.1530	0.000	1	114.1530	0.000	1	114.2507	0.009	3	114.2507	0.009	3	112.3339	28.086	47	112.3339	28.086	47
310	310	310	0:SP3_SP3_SP3	Ge	Ge	Ge	3:3:4:4:	3:3:4:4:	3:3:4:4:	C[6a]-3:C[6a]-3:Ge-4:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:Ge-4:	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)2	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)(GeC[6a]3)	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)(GeC[6a]3)	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)2	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)(GeC[6a]3)	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)(GeC[6a]3)	114.2520	0.000	1	114.2520	0.000	1	114.2507	0.009	3	114.2507	0.009	3	112.3339	28.086	47	112.3339	28.086	47
310	310	310	0:SP3_SP3_SP3	Ge	Ge	Ge	3:3:4:4:	3:3:4:4:	4:4:4:4:	C[6a]-3:C[6a]-3:Ge-4:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:Ge-4:	Ge-4:C-4:C-4:C-4:	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)(GeC3)	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)(GeC3)	Ge(GeC[6a]2Ge)(CCCH)3	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)(GeC3)	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)(GeC3)	Ge(GeC[6a]2Ge)(CCCH)3	116.5110	0.000	1	116.5110	0.000	1	117.6328	1.012	4	117.6328	1.012	4	112.3339	28.086	47	112.3339	28.086	47
310	310	310	0:SP3_SP3_SP3	Ge	Ge	Ge	3:3:4:4:	3:3:4:4:	4:4:4:4:	C[6a]-3:C[6a]-3:Ge-4:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:Ge-4:	Ge-4:C-4:C-4:C-4:	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)(GeC3)	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)2	Ge(GeC[6a]2Ge)(CCCH)3	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)(GeC3)	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)2	Ge(GeC[6a]2Ge)(CCCH)3	118.0067	0.825	3	118.0067	0.680	3	117.6328	1.012	4	117.6328	1.012	4	112.3339	28.086	47	112.3339	28.086	47
310	310	310	0:SP3_SP3_SP3	Ge	Ge	Ge	3:4:4:4:	3:3:3:4:	3:3:3:4:	C[6a]-3:Ge-4:Ge-4:Ge-4:	C[6a]-3:C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:C[6a]-3:Ge-4:	Ge(C[6a]C[6a]2)(GeC[6a]3)3	Ge(C[6a]C[6a]2)3(GeC[6a]Ge2)	Ge(C[6a]C[6a]2)3(GeC[6a]Ge2)	Ge(C[6a]C[6a]2)(GeC[6a]3)3	Ge(C[6a]C[6a]2)3(GeC[6a]Ge2)	Ge(C[6a]C[6a]2)3(GeC[6a]Ge2)	112.7193	4.613	3	112.7193	21.284	3	112.7193	21.284	3	112.7193	21.284	3	112.3339	28.086	47	112.3339	28.086	47
310	310	310	0:SP3_SP3_SP3	Ge	Ge	Ge	4:4:4:1:	3:3:3:4:	3:3:3:4:	Ge-4:Ge-4:Ge-4:Cl-1:	C[6a]-3:C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:C[6a]-3:Ge-4:	Ge(GeC[6a]3)3(Cl)	Ge(C[6a]C[6a]2)3(GeClGe2)	Ge(C[6a]C[6a]2)3(GeClGe2)	Ge(GeC[6a]3)3(Cl)	Ge(C[6a]C[6a]2)3(GeClGe2)	Ge(C[6a]C[6a]2)3(GeClGe2)	116.0972	2.176	6	116.0972	4.736	6	116.0972	4.736	6	116.2452	6.503	9	112.3339	28.086	47	112.3339	28.086	47
310	310	310	0:SP3_SP3_SP3	Ge	Ge	Ge	4:4:4:1:	3:3:3:4:	3:3:3:4:	Ge-4:Ge-4:Ge-4:I-1:	C[6a]-3:C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:C[6a]-3:Ge-4:	Ge(GeC[6a]3)3(I)	Ge(C[6a]C[6a]2)3(GeGe2I)	Ge(C[6a]C[6a]2)3(GeGe2I)	Ge(GeC[6a]3)3(I)	Ge(C[6a]C[6a]2)3(GeGe2I)	Ge(C[6a]C[6a]2)3(GeGe2I)	116.5413	3.738	3	116.5413	13.976	3	116.5413	13.976	3	116.2452	6.503	9	112.3339	28.086	47	112.3339	28.086	47
310	310	310	0:SP3_SP3_SP3	Ge	Ge	Ge	4:4:4:4:	3:3:3:4:	3:3:3:4:	Ge-4:Ge-4:Si-4:Si-4:	C[6a]-3:C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:C[6a]-3:Ge-4:	Ge(GeC[6a]3)2(SiC3)2	Ge(C[6a]C[6a]2)3(GeGeSi2)	Ge(C[6a]C[6a]2)3(GeGeSi2)	Ge(GeC[6a]3)2(SiC3)2	Ge(C[6a]C[6a]2)3(GeGeSi2)	Ge(C[6a]C[6a]2)3(GeGeSi2)	111.9490	0.000	1	111.9490	0.000	1	111.9490	0.000	1	111.9490	0.000	1	112.3339	28.086	47	112.3339	28.086	47
310	310	310	0:SP3_SP3_SP3	Ge	Ge	Ge	4:4:4:4:	4:4:4:4:	3:3:3:4:	Ge-4:Ge-4:C-4:C-4:	Ge-4:Ge-4:C-4:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:Ge-4:	Ge(GeC[6a]3)(GeGeCC)(CH3)2	Ge(GeC[6a]3)(GeGeCC)(CH3)2	Ge(C[6a]C[6a]2)3(GeGeCC)	Ge(GeC[6a]3)(GeGeCC)(CH3)2	Ge(GeC[6a]3)(GeGeCC)(CH3)2	Ge(C[6a]C[6a]2)3(GeGeCC)	111.7150	0.000	1	111.7150	0.000	1	111.7150	0.000	1	111.7150	0.000	1	112.3339	28.086	47	112.3339	28.086	47
310	310	310	0:SP3_SP3_SP3	Ge	Ge	Ge	4:4:4:4:	4:4:4:4:	4:4:4:4:	Ge-4:Ge-4:C-4:C-4:	Ge-4:Ge-4:C-4:C-4:	Ge-4:Si-4:Si-4:Si-4:	Ge(GeGeCC)(GeSi3)(CH3)2	Ge(GeGeCC)(GeSi3)(CH3)2	Ge(GeGeCC)(SiC3)3	Ge(GeGeCC)(GeSi3)(CH3)2	Ge(GeGeCC)(GeSi3)(CH3)2	Ge(GeGeCC)(SiC3)3	117.3330	0.000	1	117.3330	0.000	1	117.3330	0.000	1	107.6636	11.995	20	112.3339	28.086	47	112.3339	28.086	47
310	310	310	0:SP3_SP3_SP3	Ge	Ge	Ge	4:4:4:4:	4:4:4:4:	4:4:4:4:	Ge-4:Ge-4:Ge-4:Ge-4:	Ge-4:C-4:C-4:C-4:	Ge-4:C-4:C-4:C-4:	Ge(GeC3)4	Ge(GeGe3)(CCCH)3	Ge(GeGe3)(CH3)3	Ge(GeC3)4	Ge(GeGe3)(CCCH)3	Ge(GeGe3)(CH3)3	113.0440	0.000	1	113.0440	0.000	1	107.9487	19.546	3	107.6636	11.995	20	112.3339	28.086	47	112.3339	28.086	47
310	310	310	0:SP3_SP3_SP3	Ge	Ge	Ge	4:4:4:4:	4:4:4:4:	4:4:4:4:	Ge-4:Ge-4:Ge-4:Ge-4:	Ge-4:C-4:C-4:C-4:	Ge-4:C-4:C-4:C-4:	Ge(GeC3)4	Ge(GeGe3)(CH3)3	Ge(GeGe3)(CH3)3	Ge(GeC3)4	Ge(GeGe3)(CH3)3	Ge(GeGe3)(CH3)3	105.6740	0.000	1	105.6740	0.000	1	107.9487	19.546	3	107.6636	11.995	20	112.3339	28.086	47	112.3339	28.086	47
310	310	310	0:SP3_SP3_SP3	Ge	Ge	Ge	4:4:4:4:	4:4:4:4:	4:4:4:4:	Ge-4:Ge-4:Ge-4:Ge-4:	Ge-4:C-4:C-4:C-4:	Ge-4:C-4:C-4:C-4:	Ge(GeGe3)(GeC3)3	Ge(GeGe3)(CH3)3	Ge(GeGe3)(CH3)3	Ge(GeGe3)(GeC3)3	Ge(GeGe3)(CH3)3	Ge(GeGe3)(CH3)3	105.1280	0.000	1	105.1280	0.000	1	107.9487	19.546	3	107.6636	11.995	20	112.3339	28.086	47	112.3339	28.086	47
310	310	310	0:SP3_SP3_SP3	Ge	Ge	Ge	4:4:4:4:	4:4:4:4:	4:4:4:4:	Ge-4:Ge-4:Ge-4:Ge-4:	Ge-4:Ge-4:Ge-4:Ge-4:	Ge-4:C-4:C-4:C-4:	Ge(GeGe3)(GeC3)3	Ge(GeGe3)(GeC3)3	Ge(GeGe3)(CH3)3	Ge(GeGe3)(GeC3)3	Ge(GeGe3)(GeC3)3	Ge(GeGe3)(CH3)3	113.5280	0.000	1	113.5280	0.000	1	113.5280	0.000	1	107.6636	11.995	20	112.3339	28.086	47	112.3339	28.086	47
310	310	310	0:SP3_SP3_SP3	Ge	Ge	Ge	4:4:4:4:	4:4:4:4:	4:4:4:4:	Ge-4:Ge-4:Ge-4:Si-4:	Ge-4:C-4:C-4:C-4:	Ge-4:C-4:C-4:C-4:	Ge(GeC3)3(SiC3)	Ge(GeGe2Si)(CH3)3	Ge(GeGe2Si)(CH3)3	Ge(GeC3)3(SiC3)	Ge(GeGe2Si)(CH3)3	Ge(GeGe2Si)(CH3)3	105.1427	0.021	3	105.1427	0.000	3	105.1427	0.000	3	107.6636	11.995	20	112.3339	28.086	47	112.3339	28.086	47
310	310	310	0:SP3_SP3_SP3	Ge	Ge	Ge	4:4:4:4:	4:4:4:4:	4:4:4:4:	Si-4:Ge-4:Ge-4:Ge-4:	Ge-4:C-4:C-4:C-4:	Ge-4:C-4:C-4:C-4:	Ge(SiSiCC)(GeC3)3	Ge(GeGe2Si)(CH3)3	Ge(GeGe2Si)(CH3)3	Ge(SiSiCC)(GeC3)3	Ge(GeGe2Si)(CH3)3	Ge(GeGe2Si)(CH3)3	106.9281	1.787	12	106.9281	3.193	12	106.9281	3.193	12	107.6636	11.995	20	112.3339	28.086	47	112.3339	28.086	47
310	310	490	0:SP3_SP3_SP3	Ge	Ge	C	3:4:4:4:	3:3:3:4:	4:1:1:1:	C[6a]-3:Ge-4:C-4:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:Ge-4:	Ge-4:H-1:H-1:H-1:	Ge(C[6a]C[6a]2)(GeC[6a]3)(CH3)2	Ge(C[6a]C[6a]2)3(GeC[6a]CC)	C(GeC[6a]GeC)(H)3	Ge(C[6a]C[6a]2)(GeC[6a]3)(CH3)2	Ge(C[6a]C[6a]2)3(GeC[6a]CC)	C(GeC[6a]GeC)(H)3	111.0795	2.945	2	111.0795	8.674	2	111.0795	8.674	2	111.0795	8.674	2	110.5937	6.448	93	110.5937	6.448	93
310	310	490	0:SP3_SP3_SP3	Ge	Ge	C	3:4:4:4:	3:4:4:4:	4:1:1:1:	C[5a]-3:Ge-4:C-4:C-4:	C[5a]-3:Ge-4:C-4:C-4:	Ge-4:H-1:H-1:H-1:	Ge(C[5a]C[5a]S[5a])(GeC[5a]CC)(CH3)2	Ge(C[5a]C[5a]S[5a])(GeC[5a]CC)(CH3)2	C(GeC[5a]GeC)(H)3	Ge(C[5a]C[5a]S[5a])(GeC[5a]CC)(CH3)2	Ge(C[5a]C[5a]S[5a])(GeC[5a]CC)(CH3)2	C(GeC[5a]GeC)(H)3	110.3315	1.609	2	110.3315	2.588	2	110.3315	2.588	2	110.3315	2.588	2	110.5937	6.448	93	110.5937	6.448	93
310	310	490	0:SP3_SP3_SP3	Ge	Ge	C	3:4:4:4:	4:4:4:4:	4:1:1:1:	C[5a]-3:Ge-4:C-4:C-4:	Ge-4:C-4:C-4:C-4:	Ge-4:H-1:H-1:H-1:	Ge(C[5a]C[5a]S[5a])(GeC3)(CH3)2	Ge(GeC[5a]CC)(CH3)3	C(GeC[5a]GeC)(H)3	Ge(C[5a]C[5a]S[5a])(GeC3)(CH3)2	Ge(GeC[5a]CC)(CH3)3	C(GeC[5a]GeC)(H)3	113.3015	0.548	2	113.3015	0.300	2	113.3015	0.300	2	113.3015	0.300	2	110.5937	6.448	93	110.5937	6.448	93
310	310	490	0:SP3_SP3_SP3	Ge	Ge	C	4:4:4:4:	3:3:3:4:	4:1:1:1:	Ge-4:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:Ge-4:	Ge-4:H-1:H-1:H-1:	Ge(GeC[6a]3)(CC3)(CH3)2	Ge(C[6a]C[6a]2)3(GeC3)	C(GeGeCC)(H)3	Ge(GeC[6a]3)(CC3)(CH3)2	Ge(C[6a]C[6a]2)3(GeC3)	C(GeGeCC)(H)3	107.7700	0.561	2	107.7700	0.315	2	110.0428	8.827	5	109.4339	9.432	7	110.5937	6.448	93	110.5937	6.448	93
310	310	490	0:SP3_SP3_SP3	Ge	Ge	C	4:4:4:4:	3:3:3:4:	4:1:1:1:	Ge-4:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:Ge-4:	Ge-4:H-1:H-1:H-1:	Ge(GeC[6a]3)(CH3)3	Ge(C[6a]C[6a]2)3(GeC3)	C(GeGeCC)(H)3	Ge(GeC[6a]3)(CH3)3	Ge(C[6a]C[6a]2)3(GeC3)	C(GeGeCC)(H)3	111.5580	2.981	3	111.5580	8.888	3	110.0428	8.827	5	109.4339	9.432	7	110.5937	6.448	93	110.5937	6.448	93
310	310	490	0:SP3_SP3_SP3	Ge	Ge	C	4:4:4:4:	3:3:3:4:	4:1:1:1:	Ge-4:Ge-4:C-4:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:Ge-4:	Ge-4:H-1:H-1:H-1:	Ge(GeC[6a]3)(GeGeCC)(CH3)2	Ge(C[6a]C[6a]2)3(GeGeCC)	C(GeGe2C)(H)3	Ge(GeC[6a]3)(GeGeCC)(CH3)2	Ge(C[6a]C[6a]2)3(GeGeCC)	C(GeGe2C)(H)3	107.9115	3.846	2	107.9115	14.791	2	107.9115	14.791	2	109.4339	9.432	7	110.5937	6.448	93	110.5937	6.448	93
310	310	490	0:SP3_SP3_SP3	Ge	Ge	C	4:4:4:4:	3:3:3:4:	4:4:1:1:	Ge-4:C-4:C-4:C-4:	C[6]-3:C[6]-3:C[6]-3:Ge-4:	Ge-4:C-4:H-1:H-1:	Ge(GeC[6]3)(CCHH)3	Ge(C[6]C[6]2)3(GeC3)	C(GeGeCC)(CH3)(H)2	Ge(GeC[6]3)(CCHH)3	Ge(C[6]C[6]2)3(GeC3)	C(GeGeCC)(CH3)(H)2	109.1870	0.000	1	109.1870	0.000	1	109.1870	0.000	1	107.4759	12.780	7	110.5937	6.448	93	110.5937	6.448	93
310	310	490	0:SP3_SP3_SP3	Ge	Ge	C	4:4:4:4:	3:3:3:4:	4:4:1:1:	Ge-4:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:Ge-4:	Ge-4:C-4:H-1:H-1:	Ge(GeC[6a]3)(CCHH)3	Ge(C[6a]C[6a]2)3(GeC3)	C(GeGeCC)(CCCH)(H)2	Ge(GeC[6a]3)(CCHH)3	Ge(C[6a]C[6a]2)3(GeC3)	C(GeGeCC)(CCCH)(H)2	107.1907	3.828	6	107.1907	14.653	6	107.1907	14.653	6	107.4759	12.780	7	110.5937	6.448	93	110.5937	6.448	93
310	310	490	0:SP3_SP3_SP3	Ge	Ge	C	4:4:4:4:	3:3:3:4:	4:4:4:4:	Ge-4:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:Ge-4:	Ge-4:C-4:C-4:C-4:	Ge(GeC[6a]3)(CC3)(CH3)2	Ge(C[6a]C[6a]2)3(GeC3)	C(GeGeCC)(CH3)3	Ge(GeC[6a]3)(CC3)(CH3)2	Ge(C[6a]C[6a]2)3(GeC3)	C(GeGeCC)(CH3)3	115.2720	0.000	1	115.2720	0.000	1	115.2720	0.000	1	115.2720	0.000	1	110.5937	6.448	93	110.5937	6.448	93
310	310	490	0:SP3_SP3_SP3	Ge	Ge	C	4:4:4:4:	3:3:4:4:	4:4:4:1:	Ge-4:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:Ge-4:Ge-4:	Ge-4:C-4:C-4:H-1:	Ge(GeC[6a]2Ge)(CCCH)3	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)(GeC3)	C(GeGeCC)(CH3)2(H)	Ge(GeC[6a]2Ge)(CCCH)3	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)(GeC3)	C(GeGeCC)(CH3)2(H)	109.0772	2.569	12	109.0772	6.600	12	109.0772	6.600	12	109.0772	6.600	12	110.5937	6.448	93	110.5937	6.448	93
310	310	490	0:SP3_SP3_SP3	Ge	Ge	C	4:4:4:4:	3:4:4:4:	4:1:1:1:	Ge-4:C-4:C-4:C-4:	C[5a]-3:Ge-4:C-4:C-4:	Ge-4:H-1:H-1:H-1:	Ge(GeC[5a]CC)(CH3)3	Ge(C[5a]C[5a]S[5a])(GeC3)(CH3)2	C(GeGeCC)(H)3	Ge(GeC[5a]CC)(CH3)3	Ge(C[5a]C[5a]S[5a])(GeC3)(CH3)2	C(GeGeCC)(H)3	109.5340	2.414	3	109.5340	5.828	3	109.5340	5.828	3	109.5340	5.828	3	110.5937	6.448	93	110.5937	6.448	93
310	310	490	0:SP3_SP3_SP3	Ge	Ge	C	4:4:4:4:	4:4:4:4:	4:1:1:1:	Ge-4:C-4:C-4:C-4:	Ge-4:Ge-4:Ge-4:Ge-4:	Ge-4:H-1:H-1:H-1:	Ge(GeGe3)(CH3)3	Ge(GeC3)4	C(GeGeCC)(H)3	Ge(GeGe3)(CH3)3	Ge(GeC3)4	C(GeGeCC)(H)3	112.0110	1.942	3	112.0110	3.771	3	111.9455	4.224	6	111.3733	3.204	56	110.5937	6.448	93	110.5937	6.448	93
310	310	490	0:SP3_SP3_SP3	Ge	Ge	C	4:4:4:4:	4:4:4:4:	4:1:1:1:	Ge-4:C-4:C-4:C-4:	Ge-4:Ge-4:Ge-4:Ge-4:	Ge-4:H-1:H-1:H-1:	Ge(GeGe3)(CH3)3	Ge(GeGe3)(GeC3)3	C(GeGeCC)(H)3	Ge(GeGe3)(CH3)3	Ge(GeGe3)(GeC3)3	C(GeGeCC)(H)3	111.8800	2.603	3	111.8800	6.776	3	111.9455	4.224	6	111.3733	3.204	56	110.5937	6.448	93	110.5937	6.448	93
310	310	490	0:SP3_SP3_SP3	Ge	Ge	C	4:4:4:4:	4:4:4:4:	4:1:1:1:	Ge-4:C-4:C-4:C-4:	Ge-4:Ge-4:Ge-4:Si-4:	Ge-4:H-1:H-1:H-1:	Ge(GeGe2Si)(CH3)3	Ge(GeC3)3(SiC3)	C(GeGeCC)(H)3	Ge(GeGe2Si)(CH3)3	Ge(GeC3)3(SiC3)	C(GeGeCC)(H)3	112.5424	1.719	8	112.5424	2.954	8	112.5424	2.954	8	111.3733	3.204	56	110.5937	6.448	93	110.5937	6.448	93
310	310	490	0:SP3_SP3_SP3	Ge	Ge	C	4:4:4:4:	4:4:4:4:	4:1:1:1:	Ge-4:C-4:C-4:C-4:	Si-4:Ge-4:Ge-4:Ge-4:	Ge-4:H-1:H-1:H-1:	Ge(GeGe2Si)(CH3)3	Ge(SiSiCC)(GeC3)3	C(GeGeCC)(H)3	Ge(GeGe2Si)(CH3)3	Ge(SiSiCC)(GeC3)3	C(GeGeCC)(H)3	111.4449	1.341	36	111.4449	1.798	36	111.4449	1.798	36	111.3733	3.204	56	110.5937	6.448	93	110.5937	6.448	93
310	310	490	0:SP3_SP3_SP3	Ge	Ge	C	4:4:4:4:	4:4:4:4:	4:1:1:1:	Ge-4:Ge-4:C-4:C-4:	Ge-4:Ge-4:C-4:C-4:	Ge-4:H-1:H-1:H-1:	Ge(GeC[6a]3)(GeGeCC)(CH3)2	Ge(GeC[6a]3)(GeGeCC)(CH3)2	C(GeGe2C)(H)3	Ge(GeC[6a]3)(GeGeCC)(CH3)2	Ge(GeC[6a]3)(GeGeCC)(CH3)2	C(GeGe2C)(H)3	110.3190	0.844	2	110.3190	0.713	2	109.8255	0.774	4	111.3733	3.204	56	110.5937	6.448	93	110.5937	6.448	93
310	310	490	0:SP3_SP3_SP3	Ge	Ge	C	4:4:4:4:	4:4:4:4:	4:1:1:1:	Ge-4:Ge-4:C-4:C-4:	Ge-4:Ge-4:C-4:C-4:	Ge-4:H-1:H-1:H-1:	Ge(GeGeCC)(GeSi3)(CH3)2	Ge(GeGeCC)(GeSi3)(CH3)2	C(GeGe2C)(H)3	Ge(GeGeCC)(GeSi3)(CH3)2	Ge(GeGeCC)(GeSi3)(CH3)2	C(GeGe2C)(H)3	109.3320	0.796	2	109.3320	0.634	2	109.8255	0.774	4	111.3733	3.204	56	110.5937	6.448	93	110.5937	6.448	93
310	310	490	0:SP3_SP3_SP3	Ge	Ge	C	4:4:4:4:	4:4:4:4:	4:1:1:1:	Ge-4:Ge-4:C-4:C-4:	Ge-4:Si-4:Si-4:Si-4:	Ge-4:H-1:H-1:H-1:	Ge(GeGeCC)(GeSi3)(CH3)2	Ge(GeGeCC)(SiC3)3	C(GeGe2C)(H)3	Ge(GeGeCC)(GeSi3)(CH3)2	Ge(GeGeCC)(SiC3)3	C(GeGe2C)(H)3	106.7875	2.099	2	106.7875	4.407	2	106.7875	4.407	2	111.3733	3.204	56	110.5937	6.448	93	110.5937	6.448	93
310	310	490	0:SP3_SP3_SP3	Ge	Ge	C	4:4:4:4:	4:4:4:4:	4:4:4:1:	Ge-4:C-4:C-4:C-4:	Ge-4:Ge-4:Ge-4:Ge-4:	Ge-4:C-4:C-4:H-1:	Ge(GeGe3)(CCCH)3	Ge(GeC3)4	C(GeGeCC)(CH3)2(H)	Ge(GeGe3)(CCCH)3	Ge(GeC3)4	C(GeGeCC)(CH3)2(H)	107.7180	0.000	1	107.7180	0.000	1	107.7180	0.000	1	107.7180	0.000	1	110.5937	6.448	93	110.5937	6.448	93
310	310	643	0:SP3_SP2_SP3	Ge	Ge	C[6a]	3:3:3:4:	3:3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:	Ge(C[6a]C[6a]2)3(GeC[6a]3)	Ge(C[6a]C[6a]2)3(GeC[6a]3)	C[6a](C[6a]C[6a]F)2(GeC[6a]2Ge)	Ge(C[6a]C[6a]2)3(GeC[6a]3)	Ge(C[6a]C[6a]2)3(GeC[6a]3)	C[6a](C[6a]C[6a]F)2(GeC[6a]2Ge){1|C<3>,2|F<1>}	108.8667	0.327	3	108.8667	0.107	3	107.6022	1.970	6	107.6022	1.970	6	110.0578	13.066	155	110.0578	13.066	155
310	310	643	0:SP3_SP2_SP3	Ge	Ge	C[6a]	3:3:3:4:	3:3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:	Ge(C[6a]C[6a]2)3(GeC[6a]3)	Ge(C[6a]C[6a]2)3(GeC[6a]3)	C[6a](C[6a]C[6a]H)2(GeC[6a]2Ge)	Ge(C[6a]C[6a]2)3(GeC[6a]3)	Ge(C[6a]C[6a]2)3(GeC[6a]3)	C[6a](C[6a]C[6a]H)2(GeC[6a]2Ge){1|C<3>,2|H<1>}	106.3377	0.149	3	106.3377	0.022	3	107.6022	1.970	6	107.6022	1.970	6	110.0578	13.066	155	110.0578	13.066	155
310	310	643	0:SP3_SP2_SP3	Ge	Ge	C[6a]	3:3:3:4:	3:3:4:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:	Ge(C[6a]C[6a]2)3(GeC[6a]2Ge)	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)(GeC[6a]3)	C[6a](C[6a]C[6a]H)2(GeC[6a]2Ge)	Ge(C[6a]C[6a]2)3(GeC[6a]2Ge)	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)(GeC[6a]3)	C[6a](C[6a]C[6a]H)2(GeC[6a]2Ge){1|C<3>,2|H<1>}	110.9334	3.729	9	110.9334	13.909	9	110.9220	10.893	12	110.9220	10.893	12	110.0578	13.066	155	110.0578	13.066	155
310	310	643	0:SP3_SP2_SP3	Ge	Ge	C[6a]	3:3:3:4:	3:3:4:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:	Ge(C[6a]C[6a]2)3(GeC[6a]2Ge)	Ge(C[6a]C[6a]2)2(GeC[6a]3)2	C[6a](C[6a]C[6a]H)2(GeC[6a]2Ge)	Ge(C[6a]C[6a]2)3(GeC[6a]2Ge)	Ge(C[6a]C[6a]2)2(GeC[6a]3)2	C[6a](C[6a]C[6a]H)2(GeC[6a]2Ge){1|C<3>,2|H<1>}	110.8877	2.067	3	110.8877	4.272	3	110.9220	10.893	12	110.9220	10.893	12	110.0578	13.066	155	110.0578	13.066	155
310	310	643	0:SP3_SP2_SP3	Ge	Ge	C[6a]	3:3:3:4:	3:4:4:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:Ge-4:C-4:C-4:	C[6a]-3:C[6a]-3:Ge-4:	Ge(C[6a]C[6a]2)3(GeC[6a]CC)	Ge(C[6a]C[6a]2)(GeC[6a]3)(CH3)2	C[6a](C[6a]C[6a]H)2(GeC[6a]2Ge)	Ge(C[6a]C[6a]2)3(GeC[6a]CC)	Ge(C[6a]C[6a]2)(GeC[6a]3)(CH3)2	C[6a](C[6a]C[6a]H)2(GeC[6a]2Ge){1|C<3>,2|H<1>}	110.2580	2.879	3	110.2580	8.288	3	110.2580	8.288	3	111.1322	9.862	12	110.0578	13.066	155	110.0578	13.066	155
310	310	643	0:SP3_SP2_SP3	Ge	Ge	C[6a]	3:3:3:4:	3:4:4:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:Ge-4:Ge-4:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:	Ge(C[6a]C[6a]2)3(GeC[6a]Ge2)	Ge(C[6a]C[6a]2)(GeC[6a]3)3	C[6a](C[6a]C[6a]H)2(GeC[6a]2Ge)	Ge(C[6a]C[6a]2)3(GeC[6a]Ge2)	Ge(C[6a]C[6a]2)(GeC[6a]3)3	C[6a](C[6a]C[6a]H)2(GeC[6a]2Ge){1|C<3>,2|H<1>}	111.4237	3.333	9	111.4237	11.107	9	111.4237	11.107	9	111.1322	9.862	12	110.0578	13.066	155	110.0578	13.066	155
310	310	643	0:SP3_SP2_SP3	Ge	Ge	C[6a]	3:3:3:4:	4:4:4:1:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:Ge-4:	Ge-4:Ge-4:Ge-4:Cl-1:	C[6a]-3:C[6a]-3:Ge-4:	Ge(C[6a]C[6a]2)3(GeClGe2)	Ge(GeC[6a]3)3(Cl)	C[6a](C[6a]C[6a]H)2(GeC[6a]2Ge)	Ge(C[6a]C[6a]2)3(GeClGe2)	Ge(GeC[6a]3)3(Cl)	C[6a](C[6a]C[6a]H)2(GeC[6a]2Ge){1|C<3>,2|H<1>}	111.2121	2.754	17	111.2121	7.583	17	111.2121	7.583	17	111.1875	6.326	26	110.0578	13.066	155	110.0578	13.066	155
310	310	643	0:SP3_SP2_SP3	Ge	Ge	C[6a]	3:3:3:4:	4:4:4:1:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:Ge-4:	Ge-4:Ge-4:Ge-4:I-1:	C[6a]-3:C[6a]-3:Ge-4:	Ge(C[6a]C[6a]2)3(GeGe2I)	Ge(GeC[6a]3)3(I)	C[6a](C[6a]C[6a]H)2(GeC[6a]2Ge)	Ge(C[6a]C[6a]2)3(GeGe2I)	Ge(GeC[6a]3)3(I)	C[6a](C[6a]C[6a]H)2(GeC[6a]2Ge){1|C<3>,2|H<1>}	111.1411	2.145	9	111.1411	4.600	9	111.1411	4.600	9	111.1875	6.326	26	110.0578	13.066	155	110.0578	13.066	155
310	310	643	0:SP3_SP2_SP3	Ge	Ge	C[6a]	3:3:3:4:	4:4:4:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:Ge-4:	Ge-4:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:Ge-4:	Ge(C[6a]C[6a]2)3(GeC3)	Ge(GeC[6a]3)(CC3)(CH3)2	C[6a](C[6a]C[6a]H)2(GeC[6a]2Ge)	Ge(C[6a]C[6a]2)3(GeC3)	Ge(GeC[6a]3)(CC3)(CH3)2	C[6a](C[6a]C[6a]H)2(GeC[6a]2Ge){1|C<3>,2|H<1>}	110.8257	1.955	3	110.8257	3.823	3	111.2811	7.832	12	111.3710	6.565	21	110.0578	13.066	155	110.0578	13.066	155
310	310	643	0:SP3_SP2_SP3	Ge	Ge	C[6a]	3:3:3:4:	4:4:4:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:Ge-4:	Ge-4:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:Ge-4:	Ge(C[6a]C[6a]2)3(GeC3)	Ge(GeC[6a]3)(CCHH)3	C[6a](C[6a]C[6a]H)2(GeC[6a]2Ge)	Ge(C[6a]C[6a]2)3(GeC3)	Ge(GeC[6a]3)(CCHH)3	C[6a](C[6a]C[6a]H)2(GeC[6a]2Ge){1|C<3>,2|H<1>}	111.6982	3.462	6	111.6982	11.985	6	111.2811	7.832	12	111.3710	6.565	21	110.0578	13.066	155	110.0578	13.066	155
310	310	643	0:SP3_SP2_SP3	Ge	Ge	C[6a]	3:3:3:4:	4:4:4:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:Ge-4:	Ge-4:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:Ge-4:	Ge(C[6a]C[6a]2)3(GeC3)	Ge(GeC[6a]3)(CH3)3	C[6a](C[6a]C[6a]H)2(GeC[6a]2Ge)	Ge(C[6a]C[6a]2)3(GeC3)	Ge(GeC[6a]3)(CH3)3	C[6a](C[6a]C[6a]H)2(GeC[6a]2Ge){1|C<3>,2|H<1>}	110.9023	2.871	3	110.9023	8.243	3	111.2811	7.832	12	111.3710	6.565	21	110.0578	13.066	155	110.0578	13.066	155
310	310	643	0:SP3_SP2_SP3	Ge	Ge	C[6a]	3:3:3:4:	4:4:4:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:Ge-4:	Ge-4:Ge-4:C-4:C-4:	C[6a]-3:C[6a]-3:Ge-4:	Ge(C[6a]C[6a]2)3(GeGeCC)	Ge(GeC[6a]3)(GeGeCC)(CH3)2	C[6a](C[6a]C[6a]H)2(GeC[6a]2Ge)	Ge(C[6a]C[6a]2)3(GeGeCC)	Ge(GeC[6a]3)(GeGeCC)(CH3)2	C[6a](C[6a]C[6a]H)2(GeC[6a]2Ge){1|C<3>,2|H<1>}	110.3710	1.748	3	110.3710	3.057	3	110.3710	3.057	3	111.3710	6.565	21	110.0578	13.066	155	110.0578	13.066	155
310	310	643	0:SP3_SP2_SP3	Ge	Ge	C[6a]	3:3:3:4:	4:4:4:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:Ge-4:	Ge-4:Ge-4:Si-4:Si-4:	C[6a]-3:C[6a]-3:Ge-4:	Ge(C[6a]C[6a]2)3(GeGeSi2)	Ge(GeC[6a]3)2(SiC3)2	C[6a](C[6a]C[6a]H)2(GeC[6a]2Ge)	Ge(C[6a]C[6a]2)3(GeGeSi2)	Ge(GeC[6a]3)2(SiC3)2	C[6a](C[6a]C[6a]H)2(GeC[6a]2Ge){1|C<3>,2|H<1>}	112.0507	2.575	6	112.0507	6.632	6	112.0507	6.632	6	111.3710	6.565	21	110.0578	13.066	155	110.0578	13.066	155
310	310	643	0:SP3_SP2_SP3	Ge	Ge	C[6a]	3:3:4:1:	3:3:4:1:	4:3:3:	C[6a]-3:C[6a]-3:Ge-4:Br-1:	C[6a]-3:C[6a]-3:Ge-4:Br-1:	Ge-4:C[6a]-3:C[6a]-3:	Ge(C[6a]C[6a]2)2(GeC[6a]2Br)(Br)	Ge(C[6a]C[6a]2)2(GeC[6a]2Br)(Br)	C[6a](GeC[6a]BrGe)(C[6a]C[6a]C)(C[6a]C[6a]H)	Ge(C[6a]C[6a]2)2(GeC[6a]2Br)(Br)	Ge(C[6a]C[6a]2)2(GeC[6a]2Br)(Br)	C[6a](GeC[6a]BrGe)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	114.3365	5.749	2	114.3365	33.057	2	114.3365	33.057	2	114.3365	33.057	2	110.0578	13.066	155	110.0578	13.066	155
310	310	643	0:SP3_SP2_SP3	Ge	Ge	C[6a]	3:3:4:1:	3:3:4:4:	3:3:4:	C[6a]-3:C[6a]-3:Ge-4:H-1:	C[6a]-3:C[6a]-3:Ge-4:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)(H)	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)(GeC[6a]2H)	C[6a](C[6a]C[6a]H)2(GeC[6a]GeH)	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)(H)	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)(GeC[6a]2H)	C[6a](C[6a]C[6a]H)2(GeC[6a]GeH){1|C<3>,2|H<1>}	115.3690	2.954	2	115.3690	8.728	2	113.1570	6.507	6	113.1570	6.507	6	110.0578	13.066	155	110.0578	13.066	155
310	310	643	0:SP3_SP2_SP3	Ge	Ge	C[6a]	3:3:4:1:	3:3:4:4:	3:3:4:	C[6a]-3:C[6a]-3:Ge-4:H-1:	C[6a]-3:C[6a]-3:Ge-4:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)(H)	Ge(C[6a]C[6a]2)2(GeC[6a]2H)2	C[6a](C[6a]C[6a]H)2(GeC[6a]GeH)	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)(H)	Ge(C[6a]C[6a]2)2(GeC[6a]2H)2	C[6a](C[6a]C[6a]H)2(GeC[6a]GeH){1|C<3>,2|H<1>}	112.0510	1.744	4	112.0510	3.042	4	113.1570	6.507	6	113.1570	6.507	6	110.0578	13.066	155	110.0578	13.066	155
310	310	643	0:SP3_SP2_SP3	Ge	Ge	C[6a]	3:3:4:4:	3:3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:Ge-4:Ge-4:	C[6a]-3:C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)(GeC[6a]3)	Ge(C[6a]C[6a]2)3(GeC[6a]2Ge)	C[6a](C[6a]C[6a]H)2(GeC[6a]Ge2)	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)(GeC[6a]3)	Ge(C[6a]C[6a]2)3(GeC[6a]2Ge)	C[6a](C[6a]C[6a]H)2(GeC[6a]Ge2){1|C<3>,2|H<1>}	107.4090	3.008	6	107.4090	9.051	6	107.0883	21.690	8	107.0883	21.690	8	110.0578	13.066	155	110.0578	13.066	155
310	310	643	0:SP3_SP2_SP3	Ge	Ge	C[6a]	3:3:4:4:	3:3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:Ge-4:Ge-4:	C[6a]-3:C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:	Ge(C[6a]C[6a]2)2(GeC[6a]3)2	Ge(C[6a]C[6a]2)3(GeC[6a]2Ge)	C[6a](C[6a]C[6a]F)2(GeC[6a]Ge2)	Ge(C[6a]C[6a]2)2(GeC[6a]3)2	Ge(C[6a]C[6a]2)3(GeC[6a]2Ge)	C[6a](C[6a]C[6a]F)2(GeC[6a]Ge2){1|C<3>,2|F<1>}	106.1262	10.203	2	106.1262	104.107	2	107.0883	21.690	8	107.0883	21.690	8	110.0578	13.066	155	110.0578	13.066	155
310	310	643	0:SP3_SP2_SP3	Ge	Ge	C[6a]	3:3:4:4:	3:3:4:1:	3:3:4:	C[6a]-3:C[6a]-3:Ge-4:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:H-1:	C[6a]-3:C[6a]-3:Ge-4:	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)(GeC[6a]2H)	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)(H)	C[6a](C[6a]C[6a]H)2(GeC[6a]Ge2)	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)(GeC[6a]2H)	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)(H)	C[6a](C[6a]C[6a]H)2(GeC[6a]Ge2){1|C<3>,2|H<1>}	109.0590	7.229	2	109.0590	52.265	2	107.5838	15.135	6	107.5838	15.135	6	110.0578	13.066	155	110.0578	13.066	155
310	310	643	0:SP3_SP2_SP3	Ge	Ge	C[6a]	3:3:4:4:	3:3:4:1:	3:3:4:	C[6a]-3:C[6a]-3:Ge-4:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:H-1:	C[6a]-3:C[6a]-3:Ge-4:	Ge(C[6a]C[6a]2)2(GeC[6a]2H)2	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)(H)	C[6a](C[6a]C[6a]H)2(GeC[6a]Ge2)	Ge(C[6a]C[6a]2)2(GeC[6a]2H)2	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)(H)	C[6a](C[6a]C[6a]H)2(GeC[6a]Ge2){1|C<3>,2|H<1>}	106.8462	2.372	4	106.8462	5.627	4	107.5838	15.135	6	107.5838	15.135	6	110.0578	13.066	155	110.0578	13.066	155
310	310	643	0:SP3_SP2_SP3	Ge	Ge	C[6a]	3:3:4:4:	3:3:4:4:	3:3:4:	C[6a]-3:C[6a]-3:Ge-4:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)(GeC3)	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)(GeC3)	C[6a](C[6a]C[6a]H)2(GeC[6a]Ge2)	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)(GeC3)	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)(GeC3)	C[6a](C[6a]C[6a]H)2(GeC[6a]Ge2){1|C<3>,2|H<1>}	109.1930	0.434	2	109.1930	0.188	2	109.4575	16.249	44	109.4575	16.249	44	110.0578	13.066	155	110.0578	13.066	155
310	310	643	0:SP3_SP2_SP3	Ge	Ge	C[6a]	3:3:4:4:	3:3:4:4:	3:3:4:	C[6a]-3:C[6a]-3:Ge-4:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)(GeC3)	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)2	C[6a](C[6a]C[6a]H)2(GeC[6a]Ge2)	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)(GeC3)	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)2	C[6a](C[6a]C[6a]H)2(GeC[6a]Ge2){1|C<3>,2|H<1>}	107.0393	4.120	6	107.0393	16.975	6	109.4575	16.249	44	109.4575	16.249	44	110.0578	13.066	155	110.0578	13.066	155
310	310	643	0:SP3_SP2_SP3	Ge	Ge	C[6a]	3:3:4:4:	3:3:4:4:	3:3:4:	C[6a]-3:C[6a]-3:Ge-4:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)(GeC[6a]2H)	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)(GeC[6a]3)	C[6a](C[6a]C[6a]H)2(GeC[6a]Ge2)	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)(GeC[6a]2H)	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)(GeC[6a]3)	C[6a](C[6a]C[6a]H)2(GeC[6a]Ge2){1|C<3>,2|H<1>}	110.2445	5.839	2	110.2445	34.089	2	109.4575	16.249	44	109.4575	16.249	44	110.0578	13.066	155	110.0578	13.066	155
310	310	643	0:SP3_SP2_SP3	Ge	Ge	C[6a]	3:3:4:4:	3:3:4:4:	3:3:4:	C[6a]-3:C[6a]-3:Ge-4:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)(GeC[6a]2Pd)	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)(GeC[6a]2Pd)	C[6a](C[6a]C[6a]H)2(GeC[6a]Ge2)	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)(GeC[6a]2Pd)	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)(GeC[6a]2Pd)	C[6a](C[6a]C[6a]H)2(GeC[6a]Ge2){1|C<3>,2|H<1>}	111.2145	4.363	12	111.2145	19.035	12	109.4575	16.249	44	109.4575	16.249	44	110.0578	13.066	155	110.0578	13.066	155
310	310	643	0:SP3_SP2_SP3	Ge	Ge	C[6a]	3:3:4:4:	3:3:4:4:	3:3:4:	C[6a]-3:C[6a]-3:Ge-4:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)(GeC[6a]2Pt)	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)(GeC[6a]2Pt)	C[6a](C[6a]C[6a]H)2(GeC[6a]Ge2)	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)(GeC[6a]2Pt)	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)(GeC[6a]2Pt)	C[6a](C[6a]C[6a]H)2(GeC[6a]Ge2){1|C<3>,2|H<1>}	110.8897	3.161	4	110.8897	9.991	4	109.4575	16.249	44	109.4575	16.249	44	110.0578	13.066	155	110.0578	13.066	155
310	310	643	0:SP3_SP2_SP3	Ge	Ge	C[6a]	3:3:4:4:	3:3:4:4:	3:3:4:	C[6a]-3:C[6a]-3:Ge-4:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)(GeC[6a]3)	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)(GeC[6a]2H)	C[6a](C[6a]C[6a]H)2(GeC[6a]Ge2)	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)(GeC[6a]3)	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)(GeC[6a]2H)	C[6a](C[6a]C[6a]H)2(GeC[6a]Ge2){1|C<3>,2|H<1>}	105.5570	2.263	2	105.5570	5.120	2	109.4575	16.249	44	109.4575	16.249	44	110.0578	13.066	155	110.0578	13.066	155
310	310	643	0:SP3_SP2_SP3	Ge	Ge	C[6a]	3:3:4:4:	3:3:4:4:	3:3:4:	C[6a]-3:C[6a]-3:Ge-4:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)(GeC[6a]3)	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)2	C[6a](C[6a]C[6a]H)2(GeC[6a]Ge2)	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)(GeC[6a]3)	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)2	C[6a](C[6a]C[6a]H)2(GeC[6a]Ge2){1|C<3>,2|H<1>}	109.5602	2.350	4	109.5602	5.524	4	109.4575	16.249	44	109.4575	16.249	44	110.0578	13.066	155	110.0578	13.066	155
310	310	643	0:SP3_SP2_SP3	Ge	Ge	C[6a]	3:3:4:4:	3:3:4:4:	3:3:4:	C[6a]-3:C[6a]-3:Ge-4:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)2	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)(GeC3)	C[6a](C[6a]C[6a]H)2(GeC[6a]Ge2)	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)2	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)(GeC3)	C[6a](C[6a]C[6a]H)2(GeC[6a]Ge2){1|C<3>,2|H<1>}	108.5602	5.952	6	108.5602	35.431	6	109.4575	16.249	44	109.4575	16.249	44	110.0578	13.066	155	110.0578	13.066	155
310	310	643	0:SP3_SP2_SP3	Ge	Ge	C[6a]	3:3:4:4:	3:3:4:4:	3:3:4:	C[6a]-3:C[6a]-3:Ge-4:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)2	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)(GeC[6a]3)	C[6a](C[6a]C[6a]H)2(GeC[6a]Ge2)	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)2	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)(GeC[6a]3)	C[6a](C[6a]C[6a]H)2(GeC[6a]Ge2){1|C<3>,2|H<1>}	108.8177	2.075	4	108.8177	4.305	4	109.4575	16.249	44	109.4575	16.249	44	110.0578	13.066	155	110.0578	13.066	155
310	310	643	0:SP3_SP2_SP3	Ge	Ge	C[6a]	3:3:4:4:	3:3:4:4:	3:3:4:	C[6a]-3:C[6a]-3:Ge-4:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)2	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)2	C[6a](C[6a]C[6a]H)2(GeC[6a]Ge2)	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)2	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)2	C[6a](C[6a]C[6a]H)2(GeC[6a]Ge2){1|C<3>,2|H<1>}	110.4495	2.795	2	110.4495	7.813	2	109.4575	16.249	44	109.4575	16.249	44	110.0578	13.066	155	110.0578	13.066	155
310	310	643	0:SP3_SP2_SP3	Ge	Ge	C[6a]	3:3:4:4:	4:4:4:4:	3:3:4:	C[6a]-3:C[6a]-3:Ge-4:Ge-4:	Ge-4:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:Ge-4:	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)(GeC3)	Ge(GeC[6a]2Ge)(CCCH)3	C[6a](C[6a]C[6a]H)2(GeC[6a]Ge2)	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)(GeC3)	Ge(GeC[6a]2Ge)(CCCH)3	C[6a](C[6a]C[6a]H)2(GeC[6a]Ge2){1|C<3>,2|H<1>}	108.5414	2.818	8	108.5414	7.941	8	108.5414	7.941	8	108.5414	7.941	8	110.0578	13.066	155	110.0578	13.066	155
310	310	643	0:SP3_SP2_SP3	Ge	Ge	C[6a]	3:4:4:4:	3:3:3:4:	3:3:4:	C[6a]-3:Ge-4:C-4:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:	Ge(C[6a]C[6a]2)(GeC[6a]3)(CH3)2	Ge(C[6a]C[6a]2)3(GeC[6a]CC)	C[6a](C[6a]C[6a]H)2(GeGeCC)	Ge(C[6a]C[6a]2)(GeC[6a]3)(CH3)2	Ge(C[6a]C[6a]2)3(GeC[6a]CC)	C[6a](C[6a]C[6a]H)2(GeGeCC){1|C<3>,2|H<1>}	107.0490	0.000	1	107.0490	0.000	1	107.0490	0.000	1	106.1870	4.353	4	110.0578	13.066	155	110.0578	13.066	155
310	310	643	0:SP3_SP2_SP3	Ge	Ge	C[6a]	3:4:4:4:	3:3:3:4:	3:3:4:	C[6a]-3:Ge-4:Ge-4:Ge-4:	C[6a]-3:C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:	Ge(C[6a]C[6a]2)(GeC[6a]3)3	Ge(C[6a]C[6a]2)3(GeC[6a]Ge2)	C[6a](C[6a]C[6a]H)2(GeGe3)	Ge(C[6a]C[6a]2)(GeC[6a]3)3	Ge(C[6a]C[6a]2)3(GeC[6a]Ge2)	C[6a](C[6a]C[6a]H)2(GeGe3){1|C<3>,2|H<1>}	105.8997	2.457	3	105.8997	6.035	3	105.8997	6.035	3	106.1870	4.353	4	110.0578	13.066	155	110.0578	13.066	155
310	310	727	0:SP3_SP2_SP3	Ge	Ge	C[5a]	3:4:4:4:	3:4:4:4:	3:2:4:	C[5a]-3:Ge-4:C-4:C-4:	C[5a]-3:Ge-4:C-4:C-4:	C[5a]-3:S[5a]-2:Ge-4:	Ge(C[5a]C[5a]S[5a])(GeC[5a]CC)(CH3)2	Ge(C[5a]C[5a]S[5a])(GeC[5a]CC)(CH3)2	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(GeGeCC)	Ge(C[5a]C[5a]S[5a])(GeC[5a]CC)(CH3)2	Ge(C[5a]C[5a]S[5a])(GeC[5a]CC)(CH3)2	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(GeGeCC){1|C<3>,1|H<1>}	108.2730	0.000	1	108.2730	0.000	1	108.2730	0.000	1	108.2730	0.000	1	106.7515	4.630	2	106.7515	4.630	2
310	310	727	0:SP3_SP2_SP3	Ge	Ge	C[5a]	3:4:4:4:	4:4:4:4:	3:2:4:	C[5a]-3:Ge-4:C-4:C-4:	Ge-4:C-4:C-4:C-4:	C[5a]-3:S[5a]-2:Ge-4:	Ge(C[5a]C[5a]S[5a])(GeC3)(CH3)2	Ge(GeC[5a]CC)(CH3)3	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(GeGeCC)	Ge(C[5a]C[5a]S[5a])(GeC3)(CH3)2	Ge(GeC[5a]CC)(CH3)3	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(GeGeCC){1|C<3>,1|H<1>}	105.2300	0.000	1	105.2300	0.000	1	105.2300	0.000	1	105.2300	0.000	1	106.7515	4.630	2	106.7515	4.630	2
310	310	762	0:SP3_SP2_SP3	Ge	Ge	C[6]	3:3:3:4:	4:4:4:4:	4:3:3:	C[6]-3:C[6]-3:C[6]-3:Ge-4:	Ge-4:C-4:C-4:C-4:	Ge-4:C[6]-3:C[6]-3:	Ge(C[6]C[6]2)3(GeC3)	Ge(GeC[6]3)(CCHH)3	C[6](GeC[6]2Ge)(C[6]C[6]H)2	Ge(C[6]C[6]2)3(GeC3)	Ge(GeC[6]3)(CCHH)3	C[6](GeC[6]2Ge)(C[6]C[6]H)2{1|C<3>,1|H<1>}	111.1120	0.000	1	111.1120	0.000	1	111.1120	0.000	1	111.1120	0.000	1	111.1120	0.000	1	111.1120	0.000	1
310	310	790	0:SP3_SP-NON_SP3	Ge	Ge	Cl	4:1:1:1:	4:4:4:4:	4:	Ge-4:Cl-1:Cl-1:Cl-1:	Ge-4:Si-4:Si-4:Si-4:	Ge-4:	Ge(GeSi3)(Cl)3	Ge(GeCl3)(SiC3)3	Cl(GeCl2Ge)	Ge(GeSi3)(Cl)3	Ge(GeCl3)(SiC3)3	Cl(GeCl2Ge)	115.4317	0.297	3	115.4317	0.088	3	115.4317	0.088	3	115.4317	0.088	3	106.7229	52.173	8	106.7229	52.173	8
310	310	790	0:SP3_SP-NON_SP3	Ge	Ge	Cl	4:4:4:1:	3:3:3:4:	4:	Ge-4:Ge-4:Ge-4:Cl-1:	C[6a]-3:C[6a]-3:C[6a]-3:Ge-4:	Ge-4:	Ge(GeC[6a]3)3(Cl)	Ge(C[6a]C[6a]2)3(GeClGe2)	Cl(GeGe3)	Ge(GeC[6a]3)3(Cl)	Ge(C[6a]C[6a]2)3(GeClGe2)	Cl(GeGe3)	101.4976	0.496	5	101.4976	0.246	5	101.4976	0.246	5	101.4976	0.246	5	106.7229	52.173	8	106.7229	52.173	8
310	310	880	0:SP3_SP3_SP3	Ge	Ge	Si	3:3:4:4:	3:3:4:4:	4:4:4:4:	C-3:C-3:Ge-4:Si-4:	C-3:C-3:Ge-4:Si-4:	Ge-4:C-4:C-4:C-4:	Ge(CC[6a]N)2(GeSiCC)(SiC3)	Ge(CC[6a]N)2(GeSiCC)(SiC3)	Si(GeGeCC)(CH3)3	Ge(CC[6a]N)2(GeSiCC)(SiC3)	Ge(CC[6a]N)2(GeSiCC)(SiC3)	Si(GeGeCC)(CH3)3	110.9140	0.000	1	110.9140	0.000	1	110.9140	0.000	1	110.9140	0.000	1	110.5513	16.434	26	110.5513	16.434	26
310	310	880	0:SP3_SP3_SP3	Ge	Ge	Si	4:4:4:4:	3:3:3:4:	4:4:4:4:	Ge-4:Ge-4:Si-4:Si-4:	C[6a]-3:C[6a]-3:C[6a]-3:Ge-4:	Ge-4:C-4:C-4:C-4:	Ge(GeC[6a]3)2(SiC3)2	Ge(C[6a]C[6a]2)3(GeGeSi2)	Si(GeGe2Si)(CH3)3	Ge(GeC[6a]3)2(SiC3)2	Ge(C[6a]C[6a]2)3(GeGeSi2)	Si(GeGe2Si)(CH3)3	109.9400	2.342	4	109.9400	5.485	4	109.9400	5.485	4	109.9400	5.485	4	110.5513	16.434	26	110.5513	16.434	26
310	310	880	0:SP3_SP3_SP3	Ge	Ge	Si	4:4:4:4:	4:1:1:1:	4:4:4:4:	Ge-4:Si-4:Si-4:Si-4:	Ge-4:Cl-1:Cl-1:Cl-1:	Ge-4:C-4:C-4:C-4:	Ge(GeCl3)(SiC3)3	Ge(GeSi3)(Cl)3	Si(GeGeSi2)(CH3)3	Ge(GeCl3)(SiC3)3	Ge(GeSi3)(Cl)3	Si(GeGeSi2)(CH3)3	103.6733	0.647	3	103.6733	0.418	3	103.6733	0.418	3	103.6733	0.418	3	110.5513	16.434	26	110.5513	16.434	26
310	310	880	0:SP3_SP3_SP3	Ge	Ge	Si	4:4:4:4:	4:4:4:4:	4:4:4:4:	Ge-4:Ge-4:Ge-4:Si-4:	Ge-4:C-4:C-4:C-4:	Ge-4:C-4:C-4:C-4:	Ge(GeC3)3(SiC3)	Ge(GeGe2Si)(CH3)3	Si(GeGe3)(CCCH)3	Ge(GeC3)3(SiC3)	Ge(GeGe2Si)(CH3)3	Si(GeGe3)(CCCH)3	113.5155	0.009	2	113.5155	0.000	2	113.5155	0.000	2	111.8134	13.020	18	110.5513	16.434	26	110.5513	16.434	26
310	310	880	0:SP3_SP3_SP3	Ge	Ge	Si	4:4:4:4:	4:4:4:4:	4:4:4:4:	Ge-4:Si-4:Si-4:Si-4:	Ge-4:Ge-4:C-4:C-4:	Ge-4:C-4:C-4:C-4:	Ge(GeGeCC)(SiC3)3	Ge(GeGeCC)(GeSi3)(CH3)2	Si(GeGeSi2)(CH3)3	Ge(GeGeCC)(SiC3)3	Ge(GeGeCC)(GeSi3)(CH3)2	Si(GeGeSi2)(CH3)3	110.4400	3.349	3	110.4400	11.217	3	110.4400	11.217	3	111.8134	13.020	18	110.5513	16.434	26	110.5513	16.434	26
310	310	880	0:SP3_SP3_SP3	Ge	Ge	Si	4:4:4:4:	4:4:4:4:	4:4:4:4:	Ge-4:Si-4:Si-4:Si-4:	Ge-4:Si-4:Si-4:Si-4:	Ge-4:C-4:C-4:C-4:	Ge(GeSi3)(SiC3)3	Ge(GeSi3)(SiC3)3	Si(GeGeSi2)(CH3)3	Ge(GeSi3)(SiC3)3	Ge(GeSi3)(SiC3)3	Si(GeGeSi2)(CH3)3	113.0660	0.000	1	113.0660	0.000	1	113.0660	0.000	1	111.8134	13.020	18	110.5513	16.434	26	110.5513	16.434	26
310	310	880	0:SP3_SP3_SP3	Ge	Ge	Si	4:4:4:4:	4:4:4:4:	4:4:4:4:	Si-4:Ge-4:Ge-4:Ge-4:	Ge-4:C-4:C-4:C-4:	Si-4:Ge-4:C-4:C-4:	Ge(SiSiCC)(GeC3)3	Ge(GeGe2Si)(CH3)3	Si(SiGeCC)(GeGe3)(CH3)2	Ge(SiSiCC)(GeC3)3	Ge(GeGe2Si)(CH3)3	Si(SiGeCC)(GeGe3)(CH3)2	111.8353	5.211	3	111.8353	27.153	3	111.7687	16.896	12	111.8134	13.020	18	110.5513	16.434	26	110.5513	16.434	26
310	310	880	0:SP3_SP3_SP3	Ge	Ge	Si	4:4:4:4:	4:4:4:4:	4:4:4:4:	Si-4:Ge-4:Ge-4:Ge-4:	Ge-4:C-4:C-4:C-4:	Si-4:Ge-4:C-4:C-4:	Ge(SiSiCC)(GeC3)3	Ge(GeGe2Si)(CH3)3	Si(SiSiCC)(GeGe3)(CH3)2	Ge(SiSiCC)(GeC3)3	Ge(GeGe2Si)(CH3)3	Si(SiSiCC)(GeGe3)(CH3)2	111.7464	4.055	9	111.7464	16.442	9	111.7687	16.896	12	111.8134	13.020	18	110.5513	16.434	26	110.5513	16.434	26
310	310	924	0:SP3_SP-NON_SP3	Ge	Ge	Br	3:3:4:1:	3:3:4:1:	4:	C[6a]-3:C[6a]-3:Ge-4:Br-1:	C[6a]-3:C[6a]-3:Ge-4:Br-1:	Ge-4:	Ge(C[6a]C[6a]2)2(GeC[6a]2Br)(Br)	Ge(C[6a]C[6a]2)2(GeC[6a]2Br)(Br)	Br(GeC[6a]2Ge)	Ge(C[6a]C[6a]2)2(GeC[6a]2Br)(Br)	Ge(C[6a]C[6a]2)2(GeC[6a]2Br)(Br)	Br(GeC[6a]2Ge)	97.9919	0.000	1	97.9919	0.000	1	97.9919	0.000	1	97.9919	0.000	1	97.9919	0.000	1	97.9919	0.000	1
310	310	930	0:SP3_SP2_SP3	Ge	Ge	C	3:3:4:4:	3:3:4:4:	3:4:2:	C-3:C-3:Ge-4:Si-4:	C-3:C-3:Ge-4:Si-4:	C[6a]-3:Ge-4:N-2:	Ge(CC[6a]N)2(GeSiCC)(SiC3)	Ge(CC[6a]N)2(GeSiCC)(SiC3)	C(C[6a]C[6a]2)(GeGeSiC)(NSi)	Ge(CC[6a]N)2(GeSiCC)(SiC3)	Ge(CC[6a]N)2(GeSiCC)(SiC3)	C(C[6a]C[6a]2)(GeGeSiC)(NSi)	109.1860	4.096	2	109.1860	16.774	2	109.1860	16.774	2	109.1860	16.774	2	109.1860	16.774	2	109.1860	16.774	2
310	310	944	0:SP3_SP-NON_SP3	Ge	Ge	I	4:4:4:1:	3:3:3:4:	4:	Ge-4:Ge-4:Ge-4:I-1:	C[6a]-3:C[6a]-3:C[6a]-3:Ge-4:	Ge-4:	Ge(GeC[6a]3)3(I)	Ge(C[6a]C[6a]2)3(GeGe2I)	I(GeGe3)	Ge(GeC[6a]3)3(I)	Ge(C[6a]C[6a]2)3(GeGe2I)	I(GeGe3)	100.8036	1.176	3	100.8036	1.383	3	100.8036	1.383	3	100.8036	1.383	3	100.8036	1.383	3	100.8036	1.383	3
310	310	951	0:SP3_SP-NON_SP3	Ge	Ge	H	3:3:4:1:	3:3:4:4:	4:	C[6a]-3:C[6a]-3:Ge-4:H-1:	C[6a]-3:C[6a]-3:Ge-4:Ge-4:	Ge-4:	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)(H)	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)(GeC[6a]2H)	H(GeC[6a]2Ge)	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)(H)	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)(GeC[6a]2H)	H(GeC[6a]2Ge)	106.6160	0.000	1	106.6160	0.000	1	107.2017	9.200	3	107.2017	9.200	3	107.2358	4.766	5	107.2358	4.766	5
310	310	951	0:SP3_SP-NON_SP3	Ge	Ge	H	3:3:4:1:	3:3:4:4:	4:	C[6a]-3:C[6a]-3:Ge-4:H-1:	C[6a]-3:C[6a]-3:Ge-4:Ge-4:	Ge-4:	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)(H)	Ge(C[6a]C[6a]2)2(GeC[6a]2H)2	H(GeC[6a]2Ge)	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)(H)	Ge(C[6a]C[6a]2)2(GeC[6a]2H)2	H(GeC[6a]2Ge)	107.4945	4.229	2	107.4945	17.886	2	107.2017	9.200	3	107.2017	9.200	3	107.2358	4.766	5	107.2358	4.766	5
310	310	951	0:SP3_SP-NON_SP3	Ge	Ge	H	3:4:1:1:	3:4:1:1:	4:	B[5a]-3:Ge-4:H-1:H-1:	B[5a]-3:Ge-4:H-1:H-1:	Ge-4:	Ge(B[5a]N[5a]2)(GeB[5a]HH)(H)2	Ge(B[5a]N[5a]2)(GeB[5a]HH)(H)2	H(GeB[5a]GeH)	Ge(B[5a]N[5a]2)(GeB[5a]HH)(H)2	Ge(B[5a]N[5a]2)(GeB[5a]HH)(H)2	H(GeB[5a]GeH)	107.2870	0.809	2	107.2870	0.654	2	107.2870	0.654	2	107.2870	0.654	2	107.2358	4.766	5	107.2358	4.766	5
310	466	466	0:SP3_SP3_SP3	Ge	C[3x6]	C[3x6]	4:4:1:1:	3:3:3:4:	3:3:3:4:	C[3x6]-4:C[3x6]-4:F-1:F-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:Ge-4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:Ge-4:	Ge(C[3x6]C[6,6,6a]3)2(F)2	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(GeC[3x6]FF)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(GeC[3x6]FF)	Ge(C[3x6]C[6,6,6a]3)2(F)2	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(GeC[3x6]FF){1|C<4>,3|H<1>,6|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(GeC[3x6]FF){1|C<4>,3|H<1>,6|C<3>}	134.5370	0.000	1	134.5370	0.000	1	134.5370	0.000	1	134.5370	0.000	1	134.5370	0.000	1	134.5370	0.000	1
310	466	830	0:SP3_SP-NON_SP3	Ge	C[3x6]	F	4:4:1:1:	3:3:3:4:	4:	C[3x6]-4:C[3x6]-4:F-1:F-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:Ge-4:	Ge-4:	Ge(C[3x6]C[6,6,6a]3)2(F)2	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(GeC[3x6]FF)	F(GeC[3x6]2F)	Ge(C[3x6]C[6,6,6a]3)2(F)2	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(GeC[3x6]FF){1|C<4>,3|H<1>,6|C<3>}	F(GeC[3x6]2F)	104.2403	6.116	2	104.2403	37.407	2	104.2403	37.407	2	104.2403	37.407	2	104.2403	37.407	2	104.2403	37.407	2
310	466	893	0:SP3_SP3_SP3	Ge	C[3x6]	O	4:2:2:2:	4:4:4:4:	4:4:	C[3x6]-4:O-2:O-2:O-2:	C[6,6]-4:C[6,6]-4:C[6,6]-4:Ge-4:	Ge-4:C-4:	Ge(C[3x6]C[6,6]3)(OC)3	C[3x6](C[6,6]C[3x6]HH)3(GeO3)	O(GeC[3x6]OO)(CCHH)	Ge(C[3x6]C[6,6]3)(OC)3	C[3x6](C[6,6]C[3x6]HH)3(GeO3){3|C<4>,3|H<1>}	O(GeC[3x6]OO)(CCHH)	98.9106	1.244	3	98.9106	1.547	3	98.9106	1.547	3	98.9106	1.547	3	98.9106	1.547	3	98.9106	1.547	3
310	474	474	0:SP3_SP3_SP3	Ge	C[5]	C[5]	4:4:4:4:	3:3:4:4:	3:3:4:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5,6a]-3:C[5,6a]-3:Ge-4:Si-4:	C[5,6a]-3:C[5,6a]-3:Ge-4:H-1:	Ge(C[5]C[5,6a]2Si)(C[5]C[5,6a]2H)(CH3)2	C[5](C[5,6a]C[5,6a]C[6a])2(GeC[5]CC)(SiC3)	C[5](C[5,6a]C[5,6a]C[6a])2(GeC[5]CC)(H)	Ge(C[5]C[5,6a]2Si)(C[5]C[5,6a]2H)(CH3)2	C[5](C[5,6a]C[5,6a]C[6a])2(GeC[5]CC)(SiC3){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(GeC[5]CC)(H){2|H<1>,4|C<3>}	103.4940	0.000	1	103.4940	0.000	1	103.4940	0.000	1	103.4940	0.000	1	109.7900	79.279	2	109.7900	79.279	2
310	474	474	0:SP3_SP3_SP3	Ge	C[5]	C[5]	4:4:4:4:	3:3:4:4:	3:3:4:4:	C[5]-4:C[5]-4:C-4:C-4:	C[5,6a]-3:C[5,6a]-3:Ge-4:C-4:	C[5,6a]-3:C[5,6a]-3:Ge-4:C-4:	Ge(C[5]C[5,6a]2C)2(CH3)2	C[5](C[5,6a]C[5,6a]C[6a])2(GeC[5]CC)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])2(GeC[5]CC)(CH3)	Ge(C[5]C[5,6a]2C)2(CH3)2	C[5](C[5,6a]C[5,6a]C[6a])2(GeC[5]CC)(CH3){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(GeC[5]CC)(CH3){2|H<1>,4|C<3>}	116.0860	0.000	1	116.0860	0.000	1	116.0860	0.000	1	116.0860	0.000	1	109.7900	79.279	2	109.7900	79.279	2
310	474	490	0:SP3_SP3_SP3	Ge	C[5]	C	4:4:4:4:	3:3:4:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5,6a]-3:C[5,6a]-3:Ge-4:H-1:	Ge-4:H-1:H-1:H-1:	Ge(C[5]C[5,6a]2Si)(C[5]C[5,6a]2H)(CH3)2	C[5](C[5,6a]C[5,6a]C[6a])2(GeC[5]CC)(H)	C(GeC[5]2C)(H)3	Ge(C[5]C[5,6a]2Si)(C[5]C[5,6a]2H)(CH3)2	C[5](C[5,6a]C[5,6a]C[6a])2(GeC[5]CC)(H){2|H<1>,4|C<3>}	C(GeC[5]2C)(H)3	111.9955	0.067	2	111.9955	0.005	2	111.9955	0.005	2	111.9955	0.005	2	109.8570	6.127	8	109.8570	6.127	8
310	474	490	0:SP3_SP3_SP3	Ge	C[5]	C	4:4:4:4:	3:3:4:4:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5,6a]-3:C[5,6a]-3:Ge-4:C-4:	Ge-4:H-1:H-1:H-1:	Ge(C[5]C[5,6a]2C)2(CH3)2	C[5](C[5,6a]C[5,6a]C[6a])2(GeC[5]CC)(CH3)	C(GeC[5]2C)(H)3	Ge(C[5]C[5,6a]2C)2(CH3)2	C[5](C[5,6a]C[5,6a]C[6a])2(GeC[5]CC)(CH3){2|H<1>,4|C<3>}	C(GeC[5]2C)(H)3	107.7895	1.696	4	107.7895	2.875	4	107.7895	2.875	4	109.1442	6.138	6	109.8570	6.127	8	109.8570	6.127	8
310	474	490	0:SP3_SP3_SP3	Ge	C[5]	C	4:4:4:4:	3:3:4:4:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5,6a]-3:C[5,6a]-3:Ge-4:Si-4:	Ge-4:H-1:H-1:H-1:	Ge(C[5]C[5,6a]2Si)(C[5]C[5,6a]2H)(CH3)2	C[5](C[5,6a]C[5,6a]C[6a])2(GeC[5]CC)(SiC3)	C(GeC[5]2C)(H)3	Ge(C[5]C[5,6a]2Si)(C[5]C[5,6a]2H)(CH3)2	C[5](C[5,6a]C[5,6a]C[6a])2(GeC[5]CC)(SiC3){2|H<1>,4|C<3>}	C(GeC[5]2C)(H)3	111.8535	0.206	2	111.8535	0.042	2	111.8535	0.042	2	109.1442	6.138	6	109.8570	6.127	8	109.8570	6.127	8
310	474	643	0:SP3_SP2_SP3	Ge	C[5]	C[6a]	4:3:3:1:	3:3:4:1:	4:3:3:	C[5]-4:C[6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[5,6a]-3:Ge-4:H-1:	Ge-4:C[6a]-3:C[6a]-3:	Ge(C[5]C[5,6a]2H)(C[6a]C[6a]2)2(F)	C[5](C[5,6a]C[5,6a]C[6a])2(GeC[6a]2F)(H)	C[6a](GeC[6a]C[5]F)(C[6a]C[6a]C)2	Ge(C[5]C[5,6a]2H)(C[6a]C[6a]2)2(F)	C[5](C[5,6a]C[5,6a]C[6a])2(GeC[6a]2F)(H){2|H<1>,4|C<3>}	C[6a](GeC[6a]C[5]F)(C[6a]C[6a]C)2{1|C<3>,2|H<1>}	117.5725	11.105	2	117.5725	123.324	2	117.5725	123.324	2	117.5725	123.324	2	117.5725	123.324	2	117.5725	123.324	2
310	474	790	0:SP3_SP-NON_SP3	Ge	C[5]	Cl	4:3:1:1:	4:4:4:1:	4:	C[5]-4:N-3:Cl-1:H-1:	C[5]-4:C[5]-4:Ge-4:H-1:	Ge-4:	Ge(C[5]C[5]2H)(NC[6a]Si)(Cl)(H)	C[5](C[5]C[5]HH)2(GeClHN)(H)	Cl(GeC[5]HN)	Ge(C[5]C[5]2H)(NC[6a]Si)(Cl)(H)	C[5](C[5]C[5]HH)2(GeClHN)(H){4|H<1>}	Cl(GeC[5]HN)	103.1410	0.000	1	103.1410	0.000	1	103.1410	0.000	1	103.1410	0.000	1	103.1410	0.000	1	103.1410	0.000	1
310	474	830	0:SP3_SP-NON_SP3	Ge	C[5]	F	4:3:3:1:	3:3:4:1:	4:	C[5]-4:C[6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[5,6a]-3:Ge-4:H-1:	Ge-4:	Ge(C[5]C[5,6a]2H)(C[6a]C[6a]2)2(F)	C[5](C[5,6a]C[5,6a]C[6a])2(GeC[6a]2F)(H)	F(GeC[6a]2C[5])	Ge(C[5]C[5,6a]2H)(C[6a]C[6a]2)2(F)	C[5](C[5,6a]C[5,6a]C[6a])2(GeC[6a]2F)(H){2|H<1>,4|C<3>}	F(GeC[6a]2C[5])	97.7774	0.000	1	97.7774	0.000	1	97.7774	0.000	1	97.7774	0.000	1	97.7774	0.000	1	97.7774	0.000	1
310	474	951	0:SP3_SP-NON_SP3	Ge	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:N-3:Cl-1:H-1:	C[5]-4:C[5]-4:Ge-4:H-1:	Ge-4:	Ge(C[5]C[5]2H)(NC[6a]Si)(Cl)(H)	C[5](C[5]C[5]HH)2(GeClHN)(H)	H(GeC[5]ClN)	Ge(C[5]C[5]2H)(NC[6a]Si)(Cl)(H)	C[5](C[5]C[5]HH)2(GeClHN)(H){4|H<1>}	H(GeC[5]ClN)	112.3440	0.000	1	112.3440	0.000	1	112.3440	0.000	1	112.3440	0.000	1	112.3440	0.000	1	112.3440	0.000	1
310	474	956	0:SP3_SP2_SP3	Ge	C[5]	N	4:3:1:1:	4:4:4:1:	3:4:4:	C[5]-4:N-3:Cl-1:H-1:	C[5]-4:C[5]-4:Ge-4:H-1:	C[6a]-3:Ge-4:Si-4:	Ge(C[5]C[5]2H)(NC[6a]Si)(Cl)(H)	C[5](C[5]C[5]HH)2(GeClHN)(H)	N(C[6a]C[6a]2)(GeC[5]ClH)(SiC3)	Ge(C[5]C[5]2H)(NC[6a]Si)(Cl)(H)	C[5](C[5]C[5]HH)2(GeClHN)(H){4|H<1>}	N(C[6a]C[6a]2)(GeC[5]ClH)(SiC3)	122.9030	0.000	1	122.9030	0.000	1	122.9030	0.000	1	122.9030	0.000	1	122.9030	0.000	1	122.9030	0.000	1
310	486	490	0:SP3_SP3_SP3	Ge	C[3,3,5,5x6]	C	4:4:4:1:	6:5:6:4:	4:1:1:1:	C[3,3,5,5x6]-4:C-4:C-4:Cl-1:	B[5x3,5,5,7x6]-6:B[3x3,5,5,9x6]-5:B[4x3,3x5,12x6]-6:Ge-4:	Ge-4:H-1:H-1:H-1:	Ge(C[3,3,5,5x6]B[4x3,3x5,12x6]B[3x3,5,5,9x6]B[5x3,5,5,7x6])(CH3)2(Cl)	C[3,3,5,5x6](B[5x3,5,5,7x6]B[4x3,3x5,12x6]B[3x3,5,5,9x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]H)(B[3x3,5,5,9x6]B[3x3,5,5,11x6]B[5x3,3x5,5x6]B[5x3,5,5,7x6]S)(B[4x3,3x5,12x6]B[5x3,4x5,3x6]B[5x3,5,5,7x6]2C[3,3,5,5x6]H)(GeClCC)	C(GeC[3,3,5,5x6]ClC)(H)3	Ge(C[3,3,5,5x6]B[4x3,3x5,12x6]B[3x3,5,5,9x6]B[5x3,5,5,7x6])(CH3)2(Cl)	C[3,3,5,5x6](B[5x3,5,5,7x6]B[4x3,3x5,12x6]B[3x3,5,5,9x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]H)(B[3x3,5,5,9x6]B[3x3,5,5,11x6]B[5x3,3x5,5x6]B[5x3,5,5,7x6]S)(B[4x3,3x5,12x6]B[5x3,4x5,3x6]B[5x3,5,5,7x6]2C[3,3,5,5x6]H)(GeClCC){1|B<5>,1|B<6>,5|H<1>}	C(GeC[3,3,5,5x6]ClC)(H)3	120.2525	6.901	2	120.2525	47.619	2	120.2525	47.619	2	120.2525	47.619	2	120.2525	47.619	2	120.2525	47.619	2
310	486	790	0:SP3_SP-NON_SP3	Ge	C[3,3,5,5x6]	Cl	4:4:4:1:	6:5:6:4:	4:	C[3,3,5,5x6]-4:C-4:C-4:Cl-1:	B[5x3,5,5,7x6]-6:B[3x3,5,5,9x6]-5:B[4x3,3x5,12x6]-6:Ge-4:	Ge-4:	Ge(C[3,3,5,5x6]B[4x3,3x5,12x6]B[3x3,5,5,9x6]B[5x3,5,5,7x6])(CH3)2(Cl)	C[3,3,5,5x6](B[5x3,5,5,7x6]B[4x3,3x5,12x6]B[3x3,5,5,9x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]H)(B[3x3,5,5,9x6]B[3x3,5,5,11x6]B[5x3,3x5,5x6]B[5x3,5,5,7x6]S)(B[4x3,3x5,12x6]B[5x3,4x5,3x6]B[5x3,5,5,7x6]2C[3,3,5,5x6]H)(GeClCC)	Cl(GeC[3,3,5,5x6]CC)	Ge(C[3,3,5,5x6]B[4x3,3x5,12x6]B[3x3,5,5,9x6]B[5x3,5,5,7x6])(CH3)2(Cl)	C[3,3,5,5x6](B[5x3,5,5,7x6]B[4x3,3x5,12x6]B[3x3,5,5,9x6]B[5x3,3x5,5x6]B[5x3,4x5,3x6]H)(B[3x3,5,5,9x6]B[3x3,5,5,11x6]B[5x3,3x5,5x6]B[5x3,5,5,7x6]S)(B[4x3,3x5,12x6]B[5x3,4x5,3x6]B[5x3,5,5,7x6]2C[3,3,5,5x6]H)(GeClCC){1|B<5>,1|B<6>,5|H<1>}	Cl(GeC[3,3,5,5x6]CC)	97.9673	0.000	1	97.9673	0.000	1	97.9673	0.000	1	97.9673	0.000	1	97.9673	0.000	1	97.9673	0.000	1
310	490	490	0:SP3_SP3_SP3	Ge	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5a]-3:C[5a]-3:C-4:C-4:	Ge-4:H-1:H-1:H-1:	Ge-4:H-1:H-1:H-1:	Ge(C[5a]C[5a]S[5a])2(CH3)2	C(GeC[5a]2C)(H)3	C(GeC[5a]2C)(H)3	Ge(C[5a]C[5a]S[5a])2(CH3)2	C(GeC[5a]2C)(H)3	C(GeC[5a]2C)(H)3	112.1155	0.313	2	112.1155	0.098	2	112.1155	0.098	2	112.1155	0.098	2	109.3900	11.256	173	109.3900	11.256	173
310	490	490	0:SP3_SP3_SP3	Ge	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C-3:C-4:C-4:C-4:	Ge-4:H-1:H-1:H-1:	Ge-4:H-1:H-1:H-1:	Ge(CSeN)(CH3)3	C(GeC3)(H)3	C(GeC3)(H)3	Ge(CSeN)(CH3)3	C(GeC3)(H)3	C(GeC3)(H)3	109.5543	2.886	3	109.5543	8.330	3	109.5543	8.330	3	107.7033	10.416	21	109.3900	11.256	173	109.3900	11.256	173
310	490	490	0:SP3_SP3_SP3	Ge	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5a]-3:Ge-4:C-4:C-4:	Ge-4:H-1:H-1:H-1:	Ge-4:H-1:H-1:H-1:	Ge(C[5a]C[5a]S[5a])(GeC3)(CH3)2	C(GeC[5a]GeC)(H)3	C(GeC[5a]GeC)(H)3	Ge(C[5a]C[5a]S[5a])(GeC3)(CH3)2	C(GeC[5a]GeC)(H)3	C(GeC[5a]GeC)(H)3	111.1210	0.000	1	111.1210	0.000	1	111.8840	1.164	2	107.7033	10.416	21	109.3900	11.256	173	109.3900	11.256	173
310	490	490	0:SP3_SP3_SP3	Ge	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5a]-3:Ge-4:C-4:C-4:	Ge-4:H-1:H-1:H-1:	Ge-4:H-1:H-1:H-1:	Ge(C[5a]C[5a]S[5a])(GeC[5a]CC)(CH3)2	C(GeC[5a]GeC)(H)3	C(GeC[5a]GeC)(H)3	Ge(C[5a]C[5a]S[5a])(GeC[5a]CC)(CH3)2	C(GeC[5a]GeC)(H)3	C(GeC[5a]GeC)(H)3	112.6470	0.000	1	112.6470	0.000	1	111.8840	1.164	2	107.7033	10.416	21	109.3900	11.256	173	109.3900	11.256	173
310	490	490	0:SP3_SP3_SP3	Ge	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:C-4:	Ge-4:H-1:H-1:H-1:	Ge-4:H-1:H-1:H-1:	Ge(C[6a]C[6a]2)(CH3)3	C(GeC[6a]CC)(H)3	C(GeC[6a]CC)(H)3	Ge(C[6a]C[6a]2)(CH3)3	C(GeC[6a]CC)(H)3	C(GeC[6a]CC)(H)3	110.1930	0.862	6	110.1930	0.743	6	110.1930	0.743	6	107.7033	10.416	21	109.3900	11.256	173	109.3900	11.256	173
310	490	490	0:SP3_SP3_SP3	Ge	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6a]-3:Ge-4:C-4:C-4:	Ge-4:H-1:H-1:H-1:	Ge-4:H-1:H-1:H-1:	Ge(C[6a]C[6a]2)(GeC[6a]3)(CH3)2	C(GeC[6a]GeC)(H)3	C(GeC[6a]GeC)(H)3	Ge(C[6a]C[6a]2)(GeC[6a]3)(CH3)2	C(GeC[6a]GeC)(H)3	C(GeC[6a]GeC)(H)3	108.6150	0.000	1	108.6150	0.000	1	108.6150	0.000	1	107.7033	10.416	21	109.3900	11.256	173	109.3900	11.256	173
310	490	490	0:SP3_SP3_SP3	Ge	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	Ge-3:C-4:C-4:C-4:	Ge-4:H-1:H-1:H-1:	Ge-4:H-1:H-1:H-1:	Ge(GeGe2)(CH3)3	C(GeGeCC)(H)3	C(GeGeCC)(H)3	Ge(GeGe2)(CH3)3	C(GeGeCC)(H)3	C(GeGeCC)(H)3	104.3961	0.796	9	104.3961	0.634	9	104.3961	0.634	9	107.7033	10.416	21	109.3900	11.256	173	109.3900	11.256	173
310	490	490	0:SP3_SP3_SP3	Ge	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:Cl-1:Cl-1:	C-4:Ge-4:H-1:H-1:	C-4:Ge-4:H-1:H-1:	Ge(CCHH)2(Cl)2	C(CC[6a]HH)(GeCl2C)(H)2	C(CC[6a]HH)(GeCl2C)(H)2	Ge(CCHH)2(Cl)2	C(CC[6a]HH)(GeCl2C)(H)2	C(CC[6a]HH)(GeCl2C)(H)2	121.1830	0.000	1	121.1830	0.000	1	121.1830	0.000	1	121.1830	0.000	1	109.3900	11.256	173	109.3900	11.256	173
310	490	490	0:SP3_SP3_SP3	Ge	C	C	4:4:1:1:	4:4:4:1:	4:4:4:1:	C-4:C-4:H-1:I-1:	Ge-4:Si-4:Si-4:H-1:	Ge-4:Si-4:Si-4:H-1:	Ge(CSi2H)2(H)(I)	C(GeCHI)(SiC3)2(H)	C(GeCHI)(SiC3)2(H)	Ge(CSi2H)2(H)(I)	C(GeCHI)(SiC3)2(H)	C(GeCHI)(SiC3)2(H)	116.0880	0.000	1	116.0880	0.000	1	116.0880	0.000	1	116.0880	0.000	1	109.3900	11.256	173	109.3900	11.256	173
310	490	490	0:SP3_SP3_SP3	Ge	C	C	4:4:2:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-2:C-2:	Ge-4:H-1:H-1:H-1:	Ge-4:H-1:H-1:H-1:	Ge(CH3)2(CC)2	C(GeC3)(H)3	C(GeC3)(H)3	Ge(CH3)2(CC)2	C(GeC3)(H)3	C(GeC3)(H)3	113.8060	0.798	2	113.8060	0.636	2	113.8060	0.636	2	113.8060	0.636	2	109.3900	11.256	173	109.3900	11.256	173
310	490	490	0:SP3_SP3_SP3	Ge	C	C	4:4:2:2:	4:4:4:1:	4:4:4:1:	C-4:C-4:C-2:C-2:	Ge-4:C-4:C-4:H-1:	Ge-4:C-4:C-4:H-1:	Ge(CCCH)2(CC)2	C(GeC3)(CH3)2(H)	C(GeC3)(CH3)2(H)	Ge(CCCH)2(CC)2	C(GeC3)(CH3)2(H)	C(GeC3)(CH3)2(H)	114.8903	1.889	15	114.8903	3.569	15	114.8903	3.569	15	114.8903	3.569	15	109.3900	11.256	173	109.3900	11.256	173
310	490	490	0:SP3_SP3_SP3	Ge	C	C	4:4:4:1:	3:4:1:1:	4:4:4:1:	C-4:C-4:C-4:I-1:	N-3:Ge-4:H-1:H-1:	Ge-4:Si-4:Si-4:H-1:	Ge(CSi2H)2(CHHN)(I)	C(NC[6a]C)(GeCCI)(H)2	C(GeCCI)(SiC3)2(H)	Ge(CSi2H)2(CHHN)(I)	C(NC[6a]C)(GeCCI)(H)2	C(GeCCI)(SiC3)2(H)	115.5155	3.030	2	115.5155	9.181	2	115.5155	9.181	2	115.5155	9.181	2	109.3900	11.256	173	109.3900	11.256	173
310	490	490	0:SP3_SP3_SP3	Ge	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[3,3,5,5x6]-4:C-4:C-4:Cl-1:	Ge-4:H-1:H-1:H-1:	Ge-4:H-1:H-1:H-1:	Ge(C[3,3,5,5x6]B[4x3,3x5,12x6]B[3x3,5,5,9x6]B[5x3,5,5,7x6])(CH3)2(Cl)	C(GeC[3,3,5,5x6]ClC)(H)3	C(GeC[3,3,5,5x6]ClC)(H)3	Ge(C[3,3,5,5x6]B[4x3,3x5,12x6]B[3x3,5,5,9x6]B[5x3,5,5,7x6])(CH3)2(Cl)	C(GeC[3,3,5,5x6]ClC)(H)3	C(GeC[3,3,5,5x6]ClC)(H)3	110.8350	0.000	1	110.8350	0.000	1	110.8350	0.000	1	110.8350	0.000	1	109.3900	11.256	173	109.3900	11.256	173
310	490	490	0:SP3_SP3_SP3	Ge	C	C	4:4:4:1:	4:4:4:1:	4:4:4:1:	C-4:C-4:C-4:I-1:	Ge-4:Si-4:Si-4:H-1:	Ge-4:Si-4:Si-4:H-1:	Ge(CSi2H)2(CHHN)(I)	C(GeCCI)(SiC3)2(H)	C(GeCCI)(SiC3)2(H)	Ge(CSi2H)2(CHHN)(I)	C(GeCCI)(SiC3)2(H)	C(GeCCI)(SiC3)2(H)	108.5480	0.000	1	108.5480	0.000	1	108.5480	0.000	1	108.5480	0.000	1	109.3900	11.256	173	109.3900	11.256	173
310	490	490	0:SP3_SP3_SP3	Ge	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	Ge-4:H-1:H-1:H-1:	Ge-4:H-1:H-1:H-1:	Ge(CH3)3(CCC)	C(GeC3)(H)3	C(GeC3)(H)3	Ge(CH3)3(CCC)	C(GeC3)(H)3	C(GeC3)(H)3	110.5567	2.592	3	110.5567	6.717	3	110.5567	6.717	3	110.5567	6.717	3	109.3900	11.256	173	109.3900	11.256	173
310	490	490	0:SP3_SP3_SP3	Ge	C	C	4:4:4:3:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:O-3:	Ge-4:C-4:H-1:H-1:	Ge-4:C-4:H-1:H-1:	Ge(CCHH)3(OHH)	C(GeCCO)(CH3)(H)2	C(GeCCO)(CH3)(H)2	Ge(CCHH)3(OHH)	C(GeCCO)(CH3)(H)2	C(GeCCO)(CH3)(H)2	115.7633	1.570	3	115.7633	2.466	3	115.7633	2.466	3	115.7633	2.466	3	109.3900	11.256	173	109.3900	11.256	173
310	490	490	0:SP3_SP3_SP3	Ge	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C[6]-3:Ge-4:H-1:H-1:	Ge-4:H-1:H-1:H-1:	Ge(CC[6]HH)(CC3)(CH3)2	C(C[6]C[6]2)(GeC3)(H)2	C(GeC3)(H)3	Ge(CC[6]HH)(CC3)(CH3)2	C(C[6]C[6]2)(GeC3)(H)2	C(GeC3)(H)3	107.6425	1.470	2	107.6425	2.161	2	107.9075	1.160	4	107.9075	1.160	4	109.3900	11.256	173	109.3900	11.256	173
310	490	490	0:SP3_SP3_SP3	Ge	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C[6]-3:Ge-4:H-1:H-1:	Ge-4:H-1:H-1:H-1:	Ge(CC[6]HH)(CC3)(CH3)2	C(C[6]C[6]N[6])(GeC3)(H)2	C(GeC3)(H)3	Ge(CC[6]HH)(CC3)(CH3)2	C(C[6]C[6]N[6])(GeC3)(H)2	C(GeC3)(H)3	108.1725	1.019	2	108.1725	1.038	2	107.9075	1.160	4	107.9075	1.160	4	109.3900	11.256	173	109.3900	11.256	173
310	490	490	0:SP3_SP3_SP3	Ge	C	C	4:4:4:4:	3:4:1:1:	4:4:4:4:	C-4:C-4:C-4:C-4:	C[6]-3:Ge-4:H-1:H-1:	Ge-4:C-4:C-4:C-4:	Ge(CC[6]HH)(CC3)(CH3)2	C(C[6]C[6]2)(GeC3)(H)2	C(GeC3)(CH3)3	Ge(CC[6]HH)(CC3)(CH3)2	C(C[6]C[6]2)(GeC3)(H)2	C(GeC3)(CH3)3	108.6240	0.000	1	108.6240	0.000	1	109.1165	0.485	2	109.1165	0.485	2	109.3900	11.256	173	109.3900	11.256	173
310	490	490	0:SP3_SP3_SP3	Ge	C	C	4:4:4:4:	3:4:1:1:	4:4:4:4:	C-4:C-4:C-4:C-4:	C[6]-3:Ge-4:H-1:H-1:	Ge-4:C-4:C-4:C-4:	Ge(CC[6]HH)(CC3)(CH3)2	C(C[6]C[6]N[6])(GeC3)(H)2	C(GeC3)(CH3)3	Ge(CC[6]HH)(CC3)(CH3)2	C(C[6]C[6]N[6])(GeC3)(H)2	C(GeC3)(CH3)3	109.6090	0.000	1	109.6090	0.000	1	109.1165	0.485	2	109.1165	0.485	2	109.3900	11.256	173	109.3900	11.256	173
310	490	490	0:SP3_SP3_SP3	Ge	C	C	4:4:4:4:	3:4:4:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	C[6a]-3:Ge-4:C-4:H-1:	C-4:Ge-4:H-1:H-1:	Ge(CC[6a]CH)(CCHH)3	C(C[6a]C[6a]2)(GeC3)(CH3)(H)	C(CCHH)(GeC3)(H)2	Ge(CC[6a]CH)(CCHH)3	C(C[6a]C[6a]2)(GeC3)(CH3)(H)	C(CCHH)(GeC3)(H)2	103.6207	2.097	3	103.6207	4.397	3	103.6207	4.397	3	103.6207	4.397	3	109.3900	11.256	173	109.3900	11.256	173
310	490	490	0:SP3_SP3_SP3	Ge	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	Ge-4:H-1:H-1:H-1:	Ge-4:H-1:H-1:H-1:	Ge(CC[6]HH)(CC3)(CH3)2	C(GeC3)(H)3	C(GeC3)(H)3	Ge(CC[6]HH)(CC3)(CH3)2	C(GeC3)(H)3	C(GeC3)(H)3	109.8475	1.361	2	109.8475	1.853	2	109.8475	1.853	2	107.7159	1.983	79	109.3900	11.256	173	109.3900	11.256	173
310	490	490	0:SP3_SP3_SP3	Ge	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	Ge-4:H-1:H-1:H-1:	Ge-4:H-1:H-1:H-1:	Ge(C[5]C[5,6a]2C)2(CH3)2	C(GeC[5]2C)(H)3	C(GeC[5]2C)(H)3	Ge(C[5]C[5,6a]2C)2(CH3)2	C(GeC[5]2C)(H)3	C(GeC[5]2C)(H)3	109.4610	0.000	1	109.4610	0.000	1	109.5377	14.119	3	107.7159	1.983	79	109.3900	11.256	173	109.3900	11.256	173
310	490	490	0:SP3_SP3_SP3	Ge	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	Ge-4:H-1:H-1:H-1:	Ge-4:H-1:H-1:H-1:	Ge(C[5]C[5,6a]2Si)(C[5]C[5,6a]2H)(CH3)2	C(GeC[5]2C)(H)3	C(GeC[5]2C)(H)3	Ge(C[5]C[5,6a]2Si)(C[5]C[5,6a]2H)(CH3)2	C(GeC[5]2C)(H)3	C(GeC[5]2C)(H)3	105.8190	0.000	1	105.8190	0.000	1	109.5377	14.119	3	107.7159	1.983	79	109.3900	11.256	173	109.3900	11.256	173
310	490	490	0:SP3_SP3_SP3	Ge	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	Ge-4:H-1:H-1:H-1:	Ge-4:H-1:H-1:H-1:	Ge(C[5]C[5]2Fe)2(CH3)2	C(GeC[5]2C)(H)3	C(GeC[5]2C)(H)3	Ge(C[5]C[5]2Fe)2(CH3)2	C(GeC[5]2C)(H)3	C(GeC[5]2C)(H)3	113.3330	0.000	1	113.3330	0.000	1	109.5377	14.119	3	107.7159	1.983	79	109.3900	11.256	173	109.3900	11.256	173
310	490	490	0:SP3_SP3_SP3	Ge	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Ge-4:C-4:C-4:C-4:	Ge-4:H-1:H-1:H-1:	Ge-4:H-1:H-1:H-1:	Ge(GeC[5a]CC)(CH3)3	C(GeGeCC)(H)3	C(GeGeCC)(H)3	Ge(GeC[5a]CC)(CH3)3	C(GeGeCC)(H)3	C(GeGeCC)(H)3	109.3907	0.810	3	109.3907	0.656	3	107.3774	0.977	54	107.7159	1.983	79	109.3900	11.256	173	109.3900	11.256	173
310	490	490	0:SP3_SP3_SP3	Ge	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Ge-4:C-4:C-4:C-4:	Ge-4:H-1:H-1:H-1:	Ge-4:H-1:H-1:H-1:	Ge(GeC[6a]2Pt)(CH3)3	C(GeGeCC)(H)3	C(GeGeCC)(H)3	Ge(GeC[6a]2Pt)(CH3)3	C(GeGeCC)(H)3	C(GeGeCC)(H)3	107.1537	1.048	3	107.1537	1.099	3	107.3774	0.977	54	107.7159	1.983	79	109.3900	11.256	173	109.3900	11.256	173
310	490	490	0:SP3_SP3_SP3	Ge	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Ge-4:C-4:C-4:C-4:	Ge-4:H-1:H-1:H-1:	Ge-4:H-1:H-1:H-1:	Ge(GeC[6a]3)(CC3)(CH3)2	C(GeGeCC)(H)3	C(GeGeCC)(H)3	Ge(GeC[6a]3)(CC3)(CH3)2	C(GeGeCC)(H)3	C(GeGeCC)(H)3	107.7930	0.000	1	107.7930	0.000	1	107.3774	0.977	54	107.7159	1.983	79	109.3900	11.256	173	109.3900	11.256	173
310	490	490	0:SP3_SP3_SP3	Ge	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Ge-4:C-4:C-4:C-4:	Ge-4:H-1:H-1:H-1:	Ge-4:H-1:H-1:H-1:	Ge(GeC[6a]3)(CH3)3	C(GeGeCC)(H)3	C(GeGeCC)(H)3	Ge(GeC[6a]3)(CH3)3	C(GeGeCC)(H)3	C(GeGeCC)(H)3	107.2503	1.257	3	107.2503	1.580	3	107.3774	0.977	54	107.7159	1.983	79	109.3900	11.256	173	109.3900	11.256	173
310	490	490	0:SP3_SP3_SP3	Ge	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Ge-4:C-4:C-4:C-4:	Ge-4:H-1:H-1:H-1:	Ge-4:H-1:H-1:H-1:	Ge(GeGe2Si)(CH3)3	C(GeGeCC)(H)3	C(GeGeCC)(H)3	Ge(GeGe2Si)(CH3)3	C(GeGeCC)(H)3	C(GeGeCC)(H)3	107.3147	0.872	38	107.3147	0.761	38	107.3774	0.977	54	107.7159	1.983	79	109.3900	11.256	173	109.3900	11.256	173
310	490	490	0:SP3_SP3_SP3	Ge	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Ge-4:C-4:C-4:C-4:	Ge-4:H-1:H-1:H-1:	Ge-4:H-1:H-1:H-1:	Ge(GeGe3)(CH3)3	C(GeGeCC)(H)3	C(GeGeCC)(H)3	Ge(GeGe3)(CH3)3	C(GeGeCC)(H)3	C(GeGeCC)(H)3	106.8742	0.745	6	106.8742	0.555	6	107.3774	0.977	54	107.7159	1.983	79	109.3900	11.256	173	109.3900	11.256	173
310	490	490	0:SP3_SP3_SP3	Ge	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Ge-4:Ge-4:C-4:C-4:	Ge-4:H-1:H-1:H-1:	Ge-4:H-1:H-1:H-1:	Ge(GeC[6a]3)(GeGeCC)(CH3)2	C(GeGe2C)(H)3	C(GeGe2C)(H)3	Ge(GeC[6a]3)(GeGeCC)(CH3)2	C(GeGe2C)(H)3	C(GeGe2C)(H)3	108.4600	0.000	1	108.4600	0.000	1	107.6095	1.447	2	107.7159	1.983	79	109.3900	11.256	173	109.3900	11.256	173
310	490	490	0:SP3_SP3_SP3	Ge	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Ge-4:Ge-4:C-4:C-4:	Ge-4:H-1:H-1:H-1:	Ge-4:H-1:H-1:H-1:	Ge(GeGeCC)(GeSi3)(CH3)2	C(GeGe2C)(H)3	C(GeGe2C)(H)3	Ge(GeGeCC)(GeSi3)(CH3)2	C(GeGe2C)(H)3	C(GeGe2C)(H)3	106.7590	0.000	1	106.7590	0.000	1	107.6095	1.447	2	107.7159	1.983	79	109.3900	11.256	173	109.3900	11.256	173
310	490	490	0:SP3_SP3_SP3	Ge	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Si-4:C-4:C-4:C-4:	Ge-4:H-1:H-1:H-1:	Ge-4:H-1:H-1:H-1:	Ge(SiC[6a]CC)(CH3)3	C(GeSiCC)(H)3	C(GeSiCC)(H)3	Ge(SiC[6a]CC)(CH3)3	C(GeSiCC)(H)3	C(GeSiCC)(H)3	108.8908	1.214	12	108.8908	1.474	12	108.8908	1.474	12	107.7159	1.983	79	109.3900	11.256	173	109.3900	11.256	173
310	490	490	0:SP3_SP3_SP3	Ge	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Si[6]-4:C-4:C-4:C-4:	Ge-4:H-1:H-1:H-1:	Ge-4:H-1:H-1:H-1:	Ge(Si[6]C[6]2Ge)(CH3)3	C(GeSi[6]CC)(H)3	C(GeSi[6]CC)(H)3	Ge(Si[6]C[6]2Ge)(CH3)3	C(GeSi[6]CC)(H)3	C(GeSi[6]CC)(H)3	106.8263	1.310	6	106.8263	1.715	6	106.8263	1.715	6	107.7159	1.983	79	109.3900	11.256	173	109.3900	11.256	173
310	490	490	0:SP3_SP3_SP3	Ge	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	C-4:Ge-4:H-1:H-1:	C-4:Ge-4:H-1:H-1:	Ge(CC[6a]CH)(CCHH)3	C(CCHH)(GeC3)(H)2	C(CCHH)(GeC3)(H)2	Ge(CC[6a]CH)(CCHH)3	C(CCHH)(GeC3)(H)2	C(CCHH)(GeC3)(H)2	114.6300	0.951	3	114.6300	0.905	3	114.6300	0.905	3	111.4827	7.609	13	109.3900	11.256	173	109.3900	11.256	173
310	490	490	0:SP3_SP3_SP3	Ge	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	Ge-4:C-4:C-4:C-4:	Ge-4:C-4:H-1:H-1:	Ge-4:C-4:H-1:H-1:	Ge(GeC[6]3)(CCHH)3	C(GeGeCC)(CH3)(H)2	C(GeGeCC)(CH3)(H)2	Ge(GeC[6]3)(CCHH)3	C(GeGeCC)(CH3)(H)2	C(GeGeCC)(CH3)(H)2	109.7540	0.000	1	109.7540	0.000	1	110.5385	5.651	10	111.4827	7.609	13	109.3900	11.256	173	109.3900	11.256	173
310	490	490	0:SP3_SP3_SP3	Ge	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	Ge-4:C-4:C-4:C-4:	Ge-4:C-4:H-1:H-1:	Ge-4:C-4:H-1:H-1:	Ge(GeC[6a]3)(CCHH)3	C(GeGeCC)(CCCH)(H)2	C(GeGeCC)(CCCH)(H)2	Ge(GeC[6a]3)(CCHH)3	C(GeGeCC)(CCCH)(H)2	C(GeGeCC)(CCCH)(H)2	111.5967	2.556	6	111.5967	6.531	6	110.5385	5.651	10	111.4827	7.609	13	109.3900	11.256	173	109.3900	11.256	173
310	490	490	0:SP3_SP3_SP3	Ge	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	Ge-4:C-4:C-4:C-4:	Ge-4:C-4:H-1:H-1:	Ge-4:C-4:H-1:H-1:	Ge(GePt3)(CCHH)3	C(GeGeCC)(CH3)(H)2	C(GeGeCC)(CH3)(H)2	Ge(GePt3)(CCHH)3	C(GeGeCC)(CH3)(H)2	C(GeGeCC)(CH3)(H)2	108.6837	0.526	3	108.6837	0.277	3	110.5385	5.651	10	111.4827	7.609	13	109.3900	11.256	173	109.3900	11.256	173
310	490	490	0:SP3_SP3_SP3	Ge	C	C	4:4:4:4:	4:4:4:1:	4:4:4:1:	Ge-4:C-4:C-4:C-4:	Ge-4:C-4:C-4:H-1:	Ge-4:C-4:C-4:H-1:	Ge(GeC[6a]2Ge)(CCCH)3	C(GeGeCC)(CH3)2(H)	C(GeGeCC)(CH3)2(H)	Ge(GeC[6a]2Ge)(CCCH)3	C(GeGeCC)(CH3)2(H)	C(GeGeCC)(CH3)2(H)	109.8323	1.643	12	109.8323	2.698	12	109.9348	2.610	13	109.9592	2.418	14	109.3900	11.256	173	109.3900	11.256	173
310	490	490	0:SP3_SP3_SP3	Ge	C	C	4:4:4:4:	4:4:4:1:	4:4:4:1:	Ge-4:C-4:C-4:C-4:	Ge-4:C-4:C-4:H-1:	Ge-4:C-4:C-4:H-1:	Ge(GeGe3)(CCCH)3	C(GeGeCC)(CH3)2(H)	C(GeGeCC)(CH3)2(H)	Ge(GeGe3)(CCCH)3	C(GeGeCC)(CH3)2(H)	C(GeGeCC)(CH3)2(H)	111.1660	0.000	1	111.1660	0.000	1	109.9348	2.610	13	109.9592	2.418	14	109.3900	11.256	173	109.3900	11.256	173
310	490	490	0:SP3_SP3_SP3	Ge	C	C	4:4:4:4:	4:4:4:1:	4:4:4:1:	Si-4:C-4:C-4:C-4:	Ge-4:C-4:C-4:H-1:	Ge-4:C-4:C-4:H-1:	Ge(SiSi3)(CCCH)3	C(GeSiCC)(CH3)2(H)	C(GeSiCC)(CH3)2(H)	Ge(SiSi3)(CCCH)3	C(GeSiCC)(CH3)2(H)	C(GeSiCC)(CH3)2(H)	110.2760	0.000	1	110.2760	0.000	1	110.2760	0.000	1	109.9592	2.418	14	109.3900	11.256	173	109.3900	11.256	173
310	490	490	0:SP3_SP3_SP3	Ge	C	C	4:4:4:4:	4:4:4:4:	4:1:1:1:	C-4:C-4:C-4:C-4:	Ge-4:C-4:C-4:C-4:	Ge-4:H-1:H-1:H-1:	Ge(CC[6]HH)(CC3)(CH3)2	C(GeC3)(CH3)3	C(GeC3)(H)3	Ge(CC[6]HH)(CC3)(CH3)2	C(GeC3)(CH3)3	C(GeC3)(H)3	110.9740	0.333	4	110.9740	0.111	4	110.9740	0.111	4	110.3117	1.487	6	109.3900	11.256	173	109.3900	11.256	173
310	490	490	0:SP3_SP3_SP3	Ge	C	C	4:4:4:4:	4:4:4:4:	4:1:1:1:	Ge-4:C-4:C-4:C-4:	Ge-4:C-4:C-4:C-4:	Ge-4:H-1:H-1:H-1:	Ge(GeC[6a]3)(CC3)(CH3)2	C(GeGeCC)(CH3)3	C(GeGeCC)(H)3	Ge(GeC[6a]3)(CC3)(CH3)2	C(GeGeCC)(CH3)3	C(GeGeCC)(H)3	108.9870	1.355	2	108.9870	1.836	2	108.9870	1.836	2	110.3117	1.487	6	109.3900	11.256	173	109.3900	11.256	173
310	490	610	0:SP3_SP3_SP3	Ge	C	B	4:4:1:1:	4:4:4:4:	4:1:1:1:	C-4:B-4:H-1:H-1:	P-4:Ge-4:C-4:C-4:	Ge-4:H-1:H-1:H-1:	Ge(CCCP)(BH3)(H)2	C(PC[6a]3)(GeBHH)(CH3)2	B(GeCHH)(H)3	Ge(CCCP)(BH3)(H)2	C(PC[6a]3)(GeBHH)(CH3)2	B(GeCHH)(H)3	111.2620	0.000	1	111.2620	0.000	1	111.2620	0.000	1	111.2620	0.000	1	111.2620	0.000	1	111.2620	0.000	1
310	490	643	0:SP3_SP2_SP3	Ge	C	C[6a]	3:3:3:4:	3:4:4:1:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Ge-4:C-4:H-1:	C[6a]-3:C[6a]-3:Ge-4:	Ge(C[6a]C[6a]2)3(CC[6a]CH)	C(C[6a]C[6a]2)(GeC[6a]3)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(GeC[6a]2C)	Ge(C[6a]C[6a]2)3(CC[6a]CH)	C(C[6a]C[6a]2)(GeC[6a]3)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(GeC[6a]2C){1|C<3>,2|H<1>}	109.1190	4.024	6	109.1190	16.191	6	109.1190	16.191	6	109.1190	16.191	6	109.3058	5.888	45	109.3058	5.888	45
310	490	643	0:SP3_SP2_SP3	Ge	C	C[6a]	3:3:3:4:	4:1:1:1:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	Ge-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:Ge-4:	Ge(C[6a]C[6a]2)3(CH3)	C(GeC[6a]3)(H)3	C[6a](C[6a]C[6a]H)2(GeC[6a]2C)	Ge(C[6a]C[6a]2)3(CH3)	C(GeC[6a]3)(H)3	C[6a](C[6a]C[6a]H)2(GeC[6a]2C){1|C<3>,2|H<1>}	109.5082	1.003	6	109.5082	1.005	6	109.5082	1.005	6	109.5082	1.005	6	109.3058	5.888	45	109.3058	5.888	45
310	490	643	0:SP3_SP2_SP3	Ge	C	C[6a]	3:3:3:4:	4:1:1:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:C-4:	Ge-4:H-1:H-1:H-1:	Ge-4:C[6a]-3:C[6a]-3:	Ge(C[6a]C[6a]2)2(C[5]N[5]2)(CH3)	C(GeC[6a]2C[5])(H)3	C[6a](GeC[6a]C[5]C)(C[6a]C[6a]C)2	Ge(C[6a]C[6a]2)2(C[5]N[5]2)(CH3)	C(GeC[6a]2C[5])(H)3	C[6a](GeC[6a]C[5]C)(C[6a]C[6a]C)2{1|C<3>,2|H<1>}	108.1805	1.022	4	108.1805	1.044	4	108.1805	1.044	4	108.1805	1.044	4	109.3058	5.888	45	109.3058	5.888	45
310	490	643	0:SP3_SP2_SP3	Ge	C	C[6a]	3:3:3:4:	4:2:1:1:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	Ge-4:C-2:H-1:H-1:	C[6a]-3:C[6a]-3:Ge-4:	Ge(C[6a]C[6a]2)3(CCHH)	C(GeC[6a]3)(CN)(H)2	C[6a](C[6a]C[6a]H)2(GeC[6a]2C)	Ge(C[6a]C[6a]2)3(CCHH)	C(GeC[6a]3)(CN)(H)2	C[6a](C[6a]C[6a]H)2(GeC[6a]2C){1|C<3>,2|H<1>}	107.5243	4.608	3	107.5243	21.230	3	107.5243	21.230	3	107.5243	21.230	3	109.3058	5.888	45	109.3058	5.888	45
310	490	643	0:SP3_SP2_SP3	Ge	C	C[6a]	3:3:3:4:	4:3:1:1:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	Ge-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:Ge-4:	Ge(C[6a]C[6a]2)3(CCHH)	C(GeC[6a]3)(CCH)(H)2	C[6a](C[6a]C[6a]H)2(GeC[6a]2C)	Ge(C[6a]C[6a]2)3(CCHH)	C(GeC[6a]3)(CCH)(H)2	C[6a](C[6a]C[6a]H)2(GeC[6a]2C){1|C<3>,2|H<1>}	108.9013	2.037	3	108.9013	4.149	3	108.9013	4.149	3	108.9013	4.149	3	109.3058	5.888	45	109.3058	5.888	45
310	490	643	0:SP3_SP2_SP3	Ge	C	C[6a]	3:3:3:4:	4:4:1:1:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	Ge-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:Ge-4:	Ge(C[6a]C[6a]2)3(CCHH)	C(GeC[6a]3)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(GeC[6a]2C)	Ge(C[6a]C[6a]2)3(CCHH)	C(GeC[6a]3)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(GeC[6a]2C){1|C<3>,2|H<1>}	109.4313	0.720	3	109.4313	0.518	3	109.4313	0.518	3	109.4313	0.518	3	109.3058	5.888	45	109.3058	5.888	45
310	490	643	0:SP3_SP2_SP3	Ge	C	C[6a]	3:3:3:4:	4:4:4:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	Ge-4:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:Ge-4:	Ge(C[6a]C[6a]2)3(CC3)	C(GeC[6a]3)(CCHH)(CH3)2	C[6a](C[6a]C[6a]H)2(GeC[6a]2C)	Ge(C[6a]C[6a]2)3(CC3)	C(GeC[6a]3)(CCHH)(CH3)2	C[6a](C[6a]C[6a]H)2(GeC[6a]2C){1|C<3>,2|H<1>}	109.7128	1.660	9	109.7128	2.755	9	109.7128	2.755	9	109.7128	2.755	9	109.3058	5.888	45	109.3058	5.888	45
310	490	643	0:SP3_SP2_SP3	Ge	C	C[6a]	3:3:4:1:	4:4:4:4:	3:3:4:	C[6a]-3:C-3:C-4:F-1:	Ge-4:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:Ge-4:	Ge(C[6a]C[6a]2)(CClP)(CC3)(F)	C(GeC[6a]CF)(CH3)3	C[6a](C[6a]C[6a]C)2(GeCCF)	Ge(C[6a]C[6a]2)(CClP)(CC3)(F)	C(GeC[6a]CF)(CH3)3	C[6a](C[6a]C[6a]C)2(GeCCF){1|C<3>,2|H<1>}	116.5730	0.000	1	116.5730	0.000	1	116.5730	0.000	1	116.5730	0.000	1	109.3058	5.888	45	109.3058	5.888	45
310	490	643	0:SP3_SP2_SP3	Ge	C	C[6a]	3:3:4:2:	4:4:2:1:	3:3:4:	C[6a]-3:C[6a]-3:C-4:O-2:	Ge-4:C-4:C-2:H-1:	C[6a]-3:C[6a]-3:Ge-4:	Ge(C[6a]C[6a]2)2(CCCH)(OC)	C(GeC[6a]2O)(CC3)(CW)(H)	C[6a](C[6a]C[6a]H)2(GeC[6a]CO)	Ge(C[6a]C[6a]2)2(CCCH)(OC)	C(GeC[6a]2O)(CC3)(CW)(H)	C[6a](C[6a]C[6a]H)2(GeC[6a]CO){1|C<3>,2|H<1>}	110.7240	3.182	2	110.7240	10.125	2	110.7240	10.125	2	110.7240	10.125	2	109.3058	5.888	45	109.3058	5.888	45
310	490	643	0:SP3_SP2_SP3	Ge	C	C[6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6a]-3:C-4:C-4:C-4:	Ge-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:Ge-4:	Ge(C[6a]C[6a]2)(CH3)3	C(GeC[6a]CC)(H)3	C[6a](C[6a]C[6a]H)2(GeC3)	Ge(C[6a]C[6a]2)(CH3)3	C(GeC[6a]CC)(H)3	C[6a](C[6a]C[6a]H)2(GeC3){1|C<3>,2|H<1>}	108.7352	0.846	6	108.7352	0.716	6	108.7352	0.716	6	108.9084	1.548	8	109.3058	5.888	45	109.3058	5.888	45
310	490	643	0:SP3_SP2_SP3	Ge	C	C[6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6a]-3:Ge-4:C-4:C-4:	Ge-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:Ge-4:	Ge(C[6a]C[6a]2)(GeC[6a]3)(CH3)2	C(GeC[6a]GeC)(H)3	C[6a](C[6a]C[6a]H)2(GeGeCC)	Ge(C[6a]C[6a]2)(GeC[6a]3)(CH3)2	C(GeC[6a]GeC)(H)3	C[6a](C[6a]C[6a]H)2(GeGeCC){1|C<3>,2|H<1>}	109.4280	2.557	2	109.4280	6.538	2	109.4280	6.538	2	108.9084	1.548	8	109.3058	5.888	45	109.3058	5.888	45
310	490	658	0:SP3_SP3_SP3	Ge	C	Si[6]	4:4:4:4:	4:1:1:1:	3:3:4:4:	Si[6]-4:C-4:C-4:C-4:	Ge-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:Ge-4:Ge-4:	Ge(Si[6]C[6]2Ge)(CH3)3	C(GeSi[6]CC)(H)3	Si[6](C[6]C[6]C)2(GeC3)2	Ge(Si[6]C[6]2Ge)(CH3)3	C(GeSi[6]CC)(H)3	Si[6](C[6]C[6]C)2(GeC3)2{1|Si<4>,2|C<4>}	111.9672	3.302	6	111.9672	10.904	6	111.9672	10.904	6	111.9672	10.904	6	111.9672	10.904	6	111.9672	10.904	6
310	490	670	0:SP3_SP2_SP3	Ge	C	Ge	3:4:4:4:	4:1:1:1:	4:4:4:	Ge-3:C-4:C-4:C-4:	Ge-4:H-1:H-1:H-1:	Ge-4:Ge-4:Ge-4:	Ge(GeGe2)(CH3)3	C(GeGeCC)(H)3	Ge(GeC3)3	Ge(GeGe2)(CH3)3	C(GeGeCC)(H)3	Ge(GeC3)3	114.0812	5.017	9	114.0812	25.175	9	114.0812	25.175	9	114.0812	25.175	9	114.0812	25.175	9	114.0812	25.175	9
310	490	727	0:SP3_SP2_SP3	Ge	C	C[5a]	3:3:4:4:	4:1:1:1:	3:2:4:	C[5a]-3:C[5a]-3:C-4:C-4:	Ge-4:H-1:H-1:H-1:	C[5a]-3:S[5a]-2:Ge-4:	Ge(C[5a]C[5a]S[5a])2(CH3)2	C(GeC[5a]2C)(H)3	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(GeC[5a]CC)	Ge(C[5a]C[5a]S[5a])2(CH3)2	C(GeC[5a]2C)(H)3	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(GeC[5a]CC){1|Ge<4>,1|H<1>}	109.1706	0.766	8	109.1706	0.587	8	109.1706	0.587	8	109.1706	0.587	8	108.4707	2.356	12	108.4707	2.356	12
310	490	727	0:SP3_SP2_SP3	Ge	C	C[5a]	3:4:4:4:	4:1:1:1:	3:2:4:	C[5a]-3:Ge-4:C-4:C-4:	Ge-4:H-1:H-1:H-1:	C[5a]-3:S[5a]-2:Ge-4:	Ge(C[5a]C[5a]S[5a])(GeC3)(CH3)2	C(GeC[5a]GeC)(H)3	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(GeGeCC)	Ge(C[5a]C[5a]S[5a])(GeC3)(CH3)2	C(GeC[5a]GeC)(H)3	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(GeGeCC){1|C<3>,1|H<1>}	106.6010	3.021	2	106.6010	9.125	2	107.0710	3.351	4	107.0710	3.351	4	108.4707	2.356	12	108.4707	2.356	12
310	490	727	0:SP3_SP2_SP3	Ge	C	C[5a]	3:4:4:4:	4:1:1:1:	3:2:4:	C[5a]-3:Ge-4:C-4:C-4:	Ge-4:H-1:H-1:H-1:	C[5a]-3:S[5a]-2:Ge-4:	Ge(C[5a]C[5a]S[5a])(GeC[5a]CC)(CH3)2	C(GeC[5a]GeC)(H)3	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(GeGeCC)	Ge(C[5a]C[5a]S[5a])(GeC[5a]CC)(CH3)2	C(GeC[5a]GeC)(H)3	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(GeGeCC){1|C<3>,1|H<1>}	107.5410	0.214	2	107.5410	0.046	2	107.0710	3.351	4	107.0710	3.351	4	108.4707	2.356	12	108.4707	2.356	12
310	490	790	0:SP3_SP-NON_SP3	Ge	C	Cl	4:1:1:1:	4:4:4:4:	4:	C-4:Cl-1:Cl-1:Cl-1:	Ge-4:C-4:C-4:C-4:	Ge-4:	Ge(CC3)(Cl)3	C(GeCl3)(CCHH)(CH3)2	Cl(GeCl2C)	Ge(CC3)(Cl)3	C(GeCl3)(CCHH)(CH3)2	Cl(GeCl2C)	113.9437	3.741	6	113.9437	13.997	6	113.9437	13.997	6	113.9437	13.997	6	107.6775	31.051	20	107.6775	31.051	20
310	490	790	0:SP3_SP-NON_SP3	Ge	C	Cl	4:2:1:1:	3:4:4:1:	4:	C-4:Ge-2:Cl-1:Cl-1:	C[6a]-3:Ge-4:P-4:H-1:	Ge-4:	Ge(CC[6a]HP)(GeGe)(Cl)2	C(C[6a]C[6a]N[6a])(GeCl2Ge)(PCCS)(H)	Cl(GeClGeC)	Ge(CC[6a]HP)(GeGe)(Cl)2	C(C[6a]C[6a]N[6a])(GeCl2Ge)(PCCS)(H)	Cl(GeClGeC)	103.6071	5.040	4	103.6071	25.400	4	103.6071	25.400	4	103.6071	25.400	4	107.6775	31.051	20	107.6775	31.051	20
310	490	790	0:SP3_SP-NON_SP3	Ge	C	Cl	4:4:1:1:	3:4:1:1:	4:	C-4:Ge-4:Cl-1:Cl-1:	C[5]-3:Ge-4:H-1:H-1:	Ge-4:	Ge(CC[5]HH)(GeCl2W)(Cl)2	C(C[5]N[5]2)(GeCl2Ge)(H)2	Cl(GeClGeC)	Ge(CC[5]HH)(GeCl2W)(Cl)2	C(C[5]N[5]2)(GeCl2Ge)(H)2	Cl(GeClGeC)	105.7108	3.124	4	105.7108	9.761	4	105.7108	9.761	4	105.7108	9.761	4	107.6775	31.051	20	107.6775	31.051	20
310	490	790	0:SP3_SP-NON_SP3	Ge	C	Cl	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:Cl-1:Cl-1:	C-4:Ge-4:H-1:H-1:	Ge-4:	Ge(CCHH)2(Cl)2	C(CC[6a]HH)(GeCl2C)(H)2	Cl(GeClCC)	Ge(CCHH)2(Cl)2	C(CC[6a]HH)(GeCl2C)(H)2	Cl(GeClCC)	107.7497	0.706	4	107.7497	0.499	4	107.7497	0.499	4	107.7497	0.499	4	107.6775	31.051	20	107.6775	31.051	20
310	490	790	0:SP3_SP-NON_SP3	Ge	C	Cl	4:4:4:1:	4:1:1:1:	4:	C[3,3,5,5x6]-4:C-4:C-4:Cl-1:	Ge-4:H-1:H-1:H-1:	Ge-4:	Ge(C[3,3,5,5x6]B[4x3,3x5,12x6]B[3x3,5,5,9x6]B[5x3,5,5,7x6])(CH3)2(Cl)	C(GeC[3,3,5,5x6]ClC)(H)3	Cl(GeC[3,3,5,5x6]CC)	Ge(C[3,3,5,5x6]B[4x3,3x5,12x6]B[3x3,5,5,9x6]B[5x3,5,5,7x6])(CH3)2(Cl)	C(GeC[3,3,5,5x6]ClC)(H)3	Cl(GeC[3,3,5,5x6]CC)	100.8090	1.136	2	100.8090	1.290	2	100.8090	1.290	2	100.8090	1.290	2	107.6775	31.051	20	107.6775	31.051	20
310	490	818	0:SP3_SP2_SP3	Ge	C	C[5]	3:3:3:4:	4:1:1:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:C-4:	Ge-4:H-1:H-1:H-1:	Ge-4:N[5]-3:N[5]-3:	Ge(C[6a]C[6a]2)2(C[5]N[5]2)(CH3)	C(GeC[6a]2C[5])(H)3	C[5](GeC[6a]2C)(N[5]C[5]C)2	Ge(C[6a]C[6a]2)2(C[5]N[5]2)(CH3)	C(GeC[6a]2C[5])(H)3	C[5](GeC[6a]2C)(N[5]C[5]C)2{2|C<4>}	104.9990	0.445	2	104.9990	0.198	2	104.9990	0.198	2	104.9990	0.198	2	107.7747	13.773	4	107.7747	13.773	4
310	490	818	0:SP3_SP2_SP3	Ge	C	C[5]	3:4:1:1:	4:1:1:1:	3:3:4:	C[5]-3:C-4:I-1:I-1:	Ge-4:H-1:H-1:H-1:	N[5]-3:N[5]-3:Ge-4:	Ge(C[5]N[5]2)(CH3)(I)2	C(GeC[5]II)(H)3	C[5](N[5]C[5]C)2(GeCII)	Ge(C[5]N[5]2)(CH3)(I)2	C(GeC[5]II)(H)3	C[5](N[5]C[5]C)2(GeCII){2|C<4>}	112.8200	0.000	1	112.8200	0.000	1	112.8200	0.000	1	112.8200	0.000	1	107.7747	13.773	4	107.7747	13.773	4
310	490	818	0:SP3_SP2_SP3	Ge	C	C[5]	3:4:2:2:	4:1:1:1:	3:3:4:	C[5]-3:C-4:O-2:O-2:	Ge-4:H-1:H-1:H-1:	N[5]-3:N[5]-3:Ge-4:	Ge(C[5]N[5]2)(CH3)(OC)2	C(GeC[5]OO)(H)3	C[5](N[5]C[5]C)2(GeCOO)	Ge(C[5]N[5]2)(CH3)(OC)2	C(GeC[5]OO)(H)3	C[5](N[5]C[5]C)2(GeCOO){2|C<4>}	108.2810	0.000	1	108.2810	0.000	1	108.2810	0.000	1	108.2810	0.000	1	107.7747	13.773	4	107.7747	13.773	4
310	490	830	0:SP3_SP-NON_SP3	Ge	C	F	3:3:4:1:	4:4:4:4:	4:	C[6a]-3:C-3:C-4:F-1:	Ge-4:C-4:C-4:C-4:	Ge-4:	Ge(C[6a]C[6a]2)(CClP)(CC3)(F)	C(GeC[6a]CF)(CH3)3	F(GeC[6a]CC)	Ge(C[6a]C[6a]2)(CClP)(CC3)(F)	C(GeC[6a]CF)(CH3)3	F(GeC[6a]CC)	103.6290	0.000	1	103.6290	0.000	1	103.6290	0.000	1	103.6290	0.000	1	103.6290	0.000	1	103.6290	0.000	1
310	490	871	0:SP3_SP3_SP3	Ge	C	O	4:4:4:3:	4:4:1:1:	4:1:1:	C-4:C-4:C-4:O-3:	Ge-4:C-4:H-1:H-1:	Ge-4:H-1:H-1:	Ge(CCHH)3(OHH)	C(GeCCO)(CH3)(H)2	O(GeC3)(H)2	Ge(CCHH)3(OHH)	C(GeCCO)(CH3)(H)2	O(GeC3)(H)2	102.0293	1.216	3	102.0293	1.479	3	102.0293	1.479	3	102.0293	1.479	3	102.0293	1.479	3	102.0293	1.479	3
310	490	880	0:SP3_SP3_SP3	Ge	C	Si	4:4:4:4:	4:1:1:1:	3:4:4:4:	Si-4:C-4:C-4:C-4:	Ge-4:H-1:H-1:H-1:	C[6a]-3:C-4:Ge-4:C-4:	Ge(SiC[6a]CC)(CH3)3	C(GeSiCC)(H)3	Si(C[6a]C[6a]2)(CN[6]HH)(GeC3)(CH3)	Ge(SiC[6a]CC)(CH3)3	C(GeSiCC)(H)3	Si(C[6a]C[6a]2)(CN[6]HH)(GeC3)(CH3)	109.9918	3.049	12	109.9918	9.298	12	109.9918	9.298	12	109.9918	9.298	12	109.8889	8.661	13	109.8889	8.661	13
310	490	880	0:SP3_SP3_SP3	Ge	C	Si	4:4:4:4:	4:4:4:1:	4:4:4:4:	Si-4:C-4:C-4:C-4:	Ge-4:C-4:C-4:H-1:	Ge-4:Si-4:Si-4:Si-4:	Ge(SiSi3)(CCCH)3	C(GeSiCC)(CH3)2(H)	Si(GeC3)(SiC3)3	Ge(SiSi3)(CCCH)3	C(GeSiCC)(CH3)2(H)	Si(GeC3)(SiC3)3	108.6540	0.000	1	108.6540	0.000	1	108.6540	0.000	1	108.6540	0.000	1	109.8889	8.661	13	109.8889	8.661	13
310	490	893	0:SP3_SP3_SP3	Ge	C	O	3:3:4:2:	4:4:2:1:	4:4:	C[6a]-3:C[6a]-3:C-4:O-2:	Ge-4:C-4:C-2:H-1:	Ge-4:C-4:	Ge(C[6a]C[6a]2)2(CCCH)(OC)	C(GeC[6a]2O)(CC3)(CW)(H)	O(GeC[6a]2C)(CC3)	Ge(C[6a]C[6a]2)2(CCCH)(OC)	C(GeC[6a]2O)(CC3)(CW)(H)	O(GeC[6a]2C)(CC3)	111.2120	0.000	1	111.2120	0.000	1	111.2120	0.000	1	111.2120	0.000	1	108.6338	58.173	12	108.6338	58.173	12
310	490	893	0:SP3_SP3_SP3	Ge	C	O	3:4:2:2:	4:1:1:1:	4:4:	C[5]-3:C-4:O-2:O-2:	Ge-4:H-1:H-1:H-1:	Ge-4:C-4:	Ge(C[5]N[5]2)(CH3)(OC)2	C(GeC[5]OO)(H)3	O(GeC[5]CO)(CC3)	Ge(C[5]N[5]2)(CH3)(OC)2	C(GeC[5]OO)(H)3	O(GeC[5]CO)(CC3)	113.2875	9.161	2	113.2875	83.916	2	113.2875	83.916	2	113.2875	83.916	2	108.6338	58.173	12	108.6338	58.173	12
310	490	893	0:SP3_SP3_SP3	Ge	C	O	4:2:2:2:	4:2:1:1:	4:4:	C-4:O-2:O-2:O-2:	Ge-4:O-2:H-1:H-1:	Ge-4:C-4:	Ge(CHHO)(OC)3	C(GeO3)(OC)(H)2	O(GeCOO)(CCHH)	Ge(CHHO)(OC)3	C(GeO3)(OC)(H)2	O(GeCOO)(CCHH)	97.6876	5.133	3	97.6876	26.350	3	97.6876	26.350	3	97.6876	26.350	3	108.6338	58.173	12	108.6338	58.173	12
310	490	893	0:SP3_SP3_SP3	Ge	C	O	4:2:2:2:	4:4:4:4:	4:4:	C-4:O-2:O-2:O-2:	Ge-4:C-4:C-4:C-4:	Si-4:Ge-4:	Ge(CC3)(OSi)3	C(GeO3)(CH3)3	O(SiC[6a]2O)(GeCOO)	Ge(CC3)(OSi)3	C(GeO3)(CH3)3	O(SiC[6a]2O)(GeCOO)	112.1260	2.034	6	112.1260	4.138	6	112.1260	4.138	6	112.1260	4.138	6	108.6338	58.173	12	108.6338	58.173	12
310	490	924	0:SP3_SP-NON_SP3	Ge	C	Br	4:1:1:1:	3:3:3:4:	4:	C-4:Br-1:Br-1:Br-1:	C[6a]-3:C[6a]-3:C[6a]-3:Ge-4:	Ge-4:	Ge(CC[6a]3)(Br)3	C(C[6a]C[6a]2)3(GeBr3)	Br(GeBr2C)	Ge(CC[6a]3)(Br)3	C(C[6a]C[6a]2)3(GeBr3)	Br(GeBr2C)	116.3670	0.000	1	116.3670	0.000	1	116.3670	0.000	1	116.3670	0.000	1	116.3670	0.000	1	116.3670	0.000	1
310	490	930	0:SP3_SP2_SP3	Ge	C	C	3:3:3:4:	4:4:1:1:	3:4:1:	C-3:C-3:C-3:C-4:	Ge-4:C-4:H-1:H-1:	C[6a]-3:Ge-4:O-1:	Ge(CC[6a]O)3(CCHH)	C(GeC3)(CH3)(H)2	C(C[6a]C[6a]2)(GeC3)(O)	Ge(CC[6a]O)3(CCHH)	C(GeC3)(CH3)(H)2	C(C[6a]C[6a]2)(GeC3)(O)	107.3110	2.862	9	107.3110	8.191	9	107.3110	8.191	9	107.3110	8.191	9	108.4381	17.120	16	108.4381	17.120	16
310	490	930	0:SP3_SP2_SP3	Ge	C	C	3:3:4:1:	4:4:4:4:	4:2:1:	C[6a]-3:C-3:C-4:F-1:	Ge-4:C-4:C-4:C-4:	Ge-4:P-2:Cl-1:	Ge(C[6a]C[6a]2)(CClP)(CC3)(F)	C(GeC[6a]CF)(CH3)3	C(GeC[6a]CF)(PC[6a])(Cl)	Ge(C[6a]C[6a]2)(CClP)(CC3)(F)	C(GeC[6a]CF)(CH3)3	C(GeC[6a]CF)(PC[6a])(Cl)	116.5330	0.000	1	116.5330	0.000	1	116.5330	0.000	1	116.5330	0.000	1	108.4381	17.120	16	108.4381	17.120	16
310	490	930	0:SP3_SP2_SP3	Ge	C	C	3:4:4:4:	4:1:1:1:	4:3:1:	C-3:C-4:C-4:C-4:	Ge-4:H-1:H-1:H-1:	Ge-4:N-3:Se-1:	Ge(CSeN)(CH3)3	C(GeC3)(H)3	C(GeC3)(NCC)(Se)	Ge(CSeN)(CH3)3	C(GeC3)(H)3	C(GeC3)(NCC)(Se)	109.3750	3.587	3	109.3750	12.867	3	109.3750	12.867	3	109.3750	12.867	3	108.4381	17.120	16	108.4381	17.120	16
310	490	930	0:SP3_SP2_SP3	Ge	C	C	4:4:4:3:	4:1:1:1:	4:3:3:	C-4:C-4:C-4:C-3:	Ge-4:H-1:H-1:H-1:	Ge-4:C-3:C-3:	Ge(CH3)3(CCC)	C(GeC3)(H)3	C(GeC3)(CCP)(COO)	Ge(CH3)3(CCC)	C(GeC3)(H)3	C(GeC3)(CCP)(COO)	108.1843	6.548	3	108.1843	42.870	3	108.1843	42.870	3	108.1843	42.870	3	108.4381	17.120	16	108.4381	17.120	16
310	490	944	0:SP3_SP-NON_SP3	Ge	C	I	3:4:1:1:	4:1:1:1:	4:	C[5]-3:C-4:I-1:I-1:	Ge-4:H-1:H-1:H-1:	Ge-4:	Ge(C[5]N[5]2)(CH3)(I)2	C(GeC[5]II)(H)3	I(GeC[5]CI)	Ge(C[5]N[5]2)(CH3)(I)2	C(GeC[5]II)(H)3	I(GeC[5]CI)	109.7995	2.166	2	109.7995	4.691	2	109.7995	4.691	2	109.7995	4.691	2	109.0394	23.069	8	109.0394	23.069	8
310	490	944	0:SP3_SP-NON_SP3	Ge	C	I	4:1:1:1:	3:3:3:4:	4:	C-4:I-1:I-1:I-1:	C[6a]-3:C[6a]-3:C[6a]-3:Ge-4:	Ge-4:	Ge(CC[6a]3)(I)3	C(C[6a]C[6a]2)3(GeI3)	I(GeCII)	Ge(CC[6a]3)(I)3	C(C[6a]C[6a]2)3(GeI3)	I(GeCII)	115.7300	0.000	1	115.7300	0.000	1	115.7300	0.000	1	115.7300	0.000	1	109.0394	23.069	8	109.0394	23.069	8
310	490	944	0:SP3_SP-NON_SP3	Ge	C	I	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:I-1:	Ge-4:Si-4:Si-4:H-1:	Ge-4:	Ge(CSi2H)2(H)(I)	C(GeCHI)(SiC3)2(H)	I(GeCCH)	Ge(CSi2H)2(H)(I)	C(GeCHI)(SiC3)2(H)	I(GeCCH)	110.3900	4.958	2	110.3900	24.584	2	110.3900	24.584	2	110.3900	24.584	2	109.0394	23.069	8	109.0394	23.069	8
310	490	944	0:SP3_SP-NON_SP3	Ge	C	I	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:I-1:	N-3:Ge-4:H-1:H-1:	Ge-4:	Ge(CSi2H)2(CHHN)(I)	C(NC[6a]C)(GeCCI)(H)2	I(GeC3)	Ge(CSi2H)2(CHHN)(I)	C(NC[6a]C)(GeCCI)(H)2	I(GeC3)	101.6880	0.000	1	101.6880	0.000	1	101.6880	0.000	1	101.6880	0.000	1	109.0394	23.069	8	109.0394	23.069	8
310	490	944	0:SP3_SP-NON_SP3	Ge	C	I	4:4:4:1:	4:4:4:1:	4:	C-4:C-4:C-4:I-1:	Ge-4:Si-4:Si-4:H-1:	Ge-4:	Ge(CSi2H)2(CHHN)(I)	C(GeCCI)(SiC3)2(H)	I(GeC3)	Ge(CSi2H)2(CHHN)(I)	C(GeCCI)(SiC3)2(H)	I(GeC3)	107.2590	4.718	2	107.2590	22.258	2	107.2590	22.258	2	107.2590	22.258	2	109.0394	23.069	8	109.0394	23.069	8
310	490	951	0:SP3_SP-NON_SP3	Ge	C	H	4:2:1:1:	4:4:4:4:	4:	C-4:S-2:H-1:H-1:	Ge-4:Si-4:Si-4:Si-4:	Ge-4:	Ge(CSi3)(SFe)(H)2	C(GeHHS)(SiC3)3	H(GeCHS)	Ge(CSi3)(SFe)(H)2	C(GeHHS)(SiC3)3	H(GeCHS)	107.9220	0.269	2	107.9220	0.072	2	107.9220	0.072	2	107.9220	0.072	2	106.2749	12.566	8	106.2749	12.566	8
310	490	951	0:SP3_SP-NON_SP3	Ge	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:Ge-4:H-1:H-1:	C[5]-3:Ge-4:H-1:H-1:	Ge-4:	Ge(CC[5]HH)(GeHHW)(H)2	C(C[5]N[5]2)(GeGeHH)(H)2	H(GeGeCH)	Ge(CC[5]HH)(GeHHW)(H)2	C(C[5]N[5]2)(GeGeHH)(H)2	H(GeGeCH)	105.2920	4.197	2	105.2920	17.618	2	105.2920	17.618	2	105.2920	17.618	2	106.2749	12.566	8	106.2749	12.566	8
310	490	951	0:SP3_SP-NON_SP3	Ge	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:I-1:	Ge-4:Si-4:Si-4:H-1:	Ge-4:	Ge(CSi2H)2(H)(I)	C(GeCHI)(SiC3)2(H)	H(GeCCI)	Ge(CSi2H)2(H)(I)	C(GeCHI)(SiC3)2(H)	H(GeCCI)	109.6915	1.538	2	109.6915	2.365	2	109.6915	2.365	2	109.6915	2.365	2	106.2749	12.566	8	106.2749	12.566	8
310	490	951	0:SP3_SP-NON_SP3	Ge	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:B-4:H-1:H-1:	P-4:Ge-4:C-4:C-4:	Ge-4:	Ge(CCCP)(BH3)(H)2	C(PC[6a]3)(GeBHH)(CH3)2	H(GeBCH)	Ge(CCCP)(BH3)(H)2	C(PC[6a]3)(GeBHH)(CH3)2	H(GeBCH)	102.1940	1.974	2	102.1940	3.898	2	102.1940	3.898	2	102.1940	3.898	2	106.2749	12.566	8	106.2749	12.566	8
310	490	983	0:SP3_SP1_SP3	Ge	C	C	4:4:2:2:	4:1:1:1:	2:4:	C-4:C-4:C-2:C-2:	Ge-4:H-1:H-1:H-1:	C-2:Ge-4:	Ge(CH3)2(CC)2	C(GeC3)(H)3	C(CC[6a])(GeC3)	Ge(CH3)2(CC)2	C(GeC3)(H)3	C(CC[6a])(GeC3)	109.2402	1.141	6	109.2402	1.302	6	109.2402	1.302	6	109.2402	1.302	6	108.7525	3.490	66	108.7525	3.490	66
310	490	983	0:SP3_SP1_SP3	Ge	C	C	4:4:2:2:	4:4:4:1:	4:2:	C-4:C-4:C-2:C-2:	Ge-4:C-4:C-4:H-1:	Ge-4:C-2:	Ge(CCCH)2(CC)2	C(GeC3)(CH3)2(H)	C(GeC3)(CGe)	Ge(CCCH)2(CC)2	C(GeC3)(CH3)2(H)	C(GeC3)(CGe)	108.7038	1.926	60	108.7038	3.708	60	108.7038	3.708	60	108.7038	3.708	60	108.7525	3.490	66	108.7525	3.490	66
310	610	818	0:SP3_SP2_SP3	Ge	B	C[5]	3:4:1:1:	4:1:1:1:	3:3:4:	C[5]-3:B-4:H-1:H-1:	Ge-4:H-1:H-1:H-1:	N[5]-3:N[5]-3:Ge-4:	Ge(C[5]N[5]2)(BH3)(H)2	B(GeC[5]HH)(H)3	C[5](N[5]C[6a]C[5])2(GeBHH)	Ge(C[5]N[5]2)(BH3)(H)2	B(GeC[5]HH)(H)3	C[5](N[5]C[6a]C[5])2(GeBHH){2|H<1>,4|C<3>}	118.5465	0.395	2	118.5465	0.156	2	118.5465	0.156	2	118.5465	0.156	2	118.5465	0.156	2	118.5465	0.156	2
310	610	951	0:SP3_SP-NON_SP3	Ge	B	H	3:4:1:1:	4:1:1:1:	4:	C[5]-3:B-4:H-1:H-1:	Ge-4:H-1:H-1:H-1:	Ge-4:	Ge(C[5]N[5]2)(BH3)(H)2	B(GeC[5]HH)(H)3	H(GeC[5]BH)	Ge(C[5]N[5]2)(BH3)(H)2	B(GeC[5]HH)(H)3	H(GeC[5]BH)	118.3748	0.369	4	118.3748	0.136	4	118.3748	0.136	4	118.3748	0.136	4	118.1772	0.655	6	118.1772	0.655	6
310	610	951	0:SP3_SP-NON_SP3	Ge	B	H	4:4:1:1:	4:1:1:1:	4:	C-4:B-4:H-1:H-1:	Ge-4:H-1:H-1:H-1:	Ge-4:	Ge(CCCP)(BH3)(H)2	B(GeCHH)(H)3	H(GeBCH)	Ge(CCCP)(BH3)(H)2	B(GeCHH)(H)3	H(GeBCH)	117.7820	1.549	2	117.7820	2.398	2	117.7820	2.398	2	117.7820	2.398	2	118.1772	0.655	6	118.1772	0.655	6
310	643	643	0:SP3_SP2_SP2	Ge	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:Cl-1:Cl-1:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:	Ge(C[6a]C[6a]2)2(Cl)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(GeC[6a]Cl2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(GeC[6a]Cl2)	Ge(C[6a]C[6a]2)2(Cl)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(GeC[6a]Cl2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(GeC[6a]Cl2){1|C<3>,2|H<1>}	119.9650	0.000	1	119.9650	0.000	1	119.9650	0.000	1	123.9220	31.316	2	109.8598	11.205	356	109.8598	11.205	356
310	643	643	0:SP3_SP2_SP2	Ge	C[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:	Ge(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]2)2(GeC[6a]HH)	C[6a](C[6a]C[6a]2)2(GeC[6a]HH)	Ge(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]2)2(GeC[6a]HH){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)2(GeC[6a]HH){2|H<1>,5|C<3>}	127.8790	0.000	1	127.8790	0.000	1	127.8790	0.000	1	123.9220	31.316	2	109.8598	11.205	356	109.8598	11.205	356
310	643	643	0:SP3_SP2_SP2	Ge	C[6a]	C[6a]	3:3:2:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-2:Cl-1:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:	Ge(C[6a]C[6a]2)2(CC)(Cl)	C[6a](C[6a]C[6a]H)2(GeC[6a]ClC)	C[6a](C[6a]C[6a]H)2(GeC[6a]ClC)	Ge(C[6a]C[6a]2)2(CC)(Cl)	C[6a](C[6a]C[6a]H)2(GeC[6a]ClC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(GeC[6a]ClC){1|C<3>,2|H<1>}	112.6590	0.000	1	112.6590	0.000	1	112.6590	0.000	1	118.7730	74.762	2	109.8598	11.205	356	109.8598	11.205	356
310	643	643	0:SP3_SP2_SP2	Ge	C[6a]	C[6a]	3:3:2:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-2:H-1:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:	Ge(C[6a]C[6a]2)2(CN)(H)	C[6a](C[6a]C[6a]2)2(GeC[6a]CH)	C[6a](C[6a]C[6a]2)2(GeC[6a]CH)	Ge(C[6a]C[6a]2)2(CN)(H)	C[6a](C[6a]C[6a]2)2(GeC[6a]CH){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)2(GeC[6a]CH){2|H<1>,5|C<3>}	124.8870	0.000	1	124.8870	0.000	1	124.8870	0.000	1	118.7730	74.762	2	109.8598	11.205	356	109.8598	11.205	356
310	643	643	0:SP3_SP2_SP2	Ge	C[6a]	C[6a]	3:3:2:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-2:C-2:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:	Ge(C[6a]C[6a]2)2(CC)2	C[6a](C[6a]C[6a]H)2(GeC[6a]CC)	C[6a](C[6a]C[6a]H)2(GeC[6a]CC)	Ge(C[6a]C[6a]2)2(CC)2	C[6a](C[6a]C[6a]H)2(GeC[6a]CC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(GeC[6a]CC){1|C<3>,2|H<1>}	112.3186	1.994	15	112.3186	3.976	15	112.3186	3.976	15	113.0214	11.615	16	109.8598	11.205	356	109.8598	11.205	356
310	643	643	0:SP3_SP2_SP2	Ge	C[6a]	C[6a]	3:3:2:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:O-2:O-2:	C[5,6a]-3:C[5,6a]-3:Ge-4:	C[5,6a]-3:C[5,6a]-3:Ge-4:	Ge(C[6a]C[5,6a]2)2(OH)2	C[6a](C[5,6a]C[5,6a]C[5])2(GeC[6a]OO)	C[6a](C[5,6a]C[5,6a]C[5])2(GeC[6a]OO)	Ge(C[6a]C[5,6a]2)2(OH)2	C[6a](C[5,6a]C[5,6a]C[5])2(GeC[6a]OO){1|C<3>,8|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])2(GeC[6a]OO){1|C<3>,8|C<4>}	123.5640	0.000	1	123.5640	0.000	1	123.5640	0.000	1	113.0214	11.615	16	109.8598	11.205	356	109.8598	11.205	356
310	643	643	0:SP3_SP2_SP2	Ge	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:	Ge(C[6a]C[6a]2)3(Br)	C[6a](C[6a]C[6a]H)2(GeC[6a]2Br)	C[6a](C[6a]C[6a]H)2(GeC[6a]2Br)	Ge(C[6a]C[6a]2)3(Br)	C[6a](C[6a]C[6a]H)2(GeC[6a]2Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(GeC[6a]2Br){1|C<3>,2|H<1>}	112.6903	2.172	3	112.6903	4.717	3	114.1217	8.288	6	112.8183	8.779	56	109.8598	11.205	356	109.8598	11.205	356
310	643	643	0:SP3_SP2_SP2	Ge	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:	Ge(C[6a]C[6a]2)3(Br)	C[6a](C[6a]C[6a]O)2(GeC[6a]2Br)	C[6a](C[6a]C[6a]O)2(GeC[6a]2Br)	Ge(C[6a]C[6a]2)3(Br)	C[6a](C[6a]C[6a]O)2(GeC[6a]2Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]O)2(GeC[6a]2Br){1|C<3>,2|H<1>}	115.5530	3.140	3	115.5530	9.858	3	114.1217	8.288	6	112.8183	8.779	56	109.8598	11.205	356	109.8598	11.205	356
310	643	643	0:SP3_SP2_SP2	Ge	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:	Ge(C[6a]C[6a]2)3(Cl)	C[6a](C[6a]C[6a]F)2(GeC[6a]2Cl)	C[6a](C[6a]C[6a]F)2(GeC[6a]2Cl)	Ge(C[6a]C[6a]2)3(Cl)	C[6a](C[6a]C[6a]F)2(GeC[6a]2Cl){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(GeC[6a]2Cl){1|C<3>,2|F<1>}	112.8493	0.024	3	112.8493	0.001	3	112.7241	2.490	27	112.8183	8.779	56	109.8598	11.205	356	109.8598	11.205	356
310	643	643	0:SP3_SP2_SP2	Ge	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:	Ge(C[6a]C[6a]2)3(Cl)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(GeC[6a]2Cl)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(GeC[6a]2Cl)	Ge(C[6a]C[6a]2)3(Cl)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(GeC[6a]2Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(GeC[6a]2Cl){1|C<3>,2|H<1>}	112.6207	1.453	6	112.6207	2.111	6	112.7241	2.490	27	112.8183	8.779	56	109.8598	11.205	356	109.8598	11.205	356
310	643	643	0:SP3_SP2_SP2	Ge	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:	Ge(C[6a]C[6a]2)3(Cl)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(GeC[6a]2Cl)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(GeC[6a]2Cl)	Ge(C[6a]C[6a]2)3(Cl)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(GeC[6a]2Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(GeC[6a]2Cl){1|C<3>,2|H<1>}	112.6907	3.965	3	112.6907	15.722	3	112.7241	2.490	27	112.8183	8.779	56	109.8598	11.205	356	109.8598	11.205	356
310	643	643	0:SP3_SP2_SP2	Ge	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:	Ge(C[6a]C[6a]2)3(Cl)	C[6a](C[6a]C[6a]H)2(GeC[6a]2Cl)	C[6a](C[6a]C[6a]H)2(GeC[6a]2Cl)	Ge(C[6a]C[6a]2)3(Cl)	C[6a](C[6a]C[6a]H)2(GeC[6a]2Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(GeC[6a]2Cl){1|C<3>,2|H<1>}	112.7471	1.271	15	112.7471	1.616	15	112.7241	2.490	27	112.8183	8.779	56	109.8598	11.205	356	109.8598	11.205	356
310	643	643	0:SP3_SP2_SP2	Ge	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:	Ge(C[6a]C[6a]2)3(F)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(GeC[6a]2F)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(GeC[6a]2F)	Ge(C[6a]C[6a]2)3(F)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(GeC[6a]2F){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(GeC[6a]2F){1|C<3>,2|H<1>}	118.5380	4.202	3	118.5380	17.660	3	116.1398	15.355	6	112.8183	8.779	56	109.8598	11.205	356	109.8598	11.205	356
310	643	643	0:SP3_SP2_SP2	Ge	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:	Ge(C[6a]C[6a]2)3(F)	C[6a](C[6a]C[6a]H)2(GeC[6a]2F)	C[6a](C[6a]C[6a]H)2(GeC[6a]2F)	Ge(C[6a]C[6a]2)3(F)	C[6a](C[6a]C[6a]H)2(GeC[6a]2F){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(GeC[6a]2F){1|C<3>,2|H<1>}	113.7417	1.864	3	113.7417	3.473	3	116.1398	15.355	6	112.8183	8.779	56	109.8598	11.205	356	109.8598	11.205	356
310	643	643	0:SP3_SP2_SP2	Ge	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:	Ge(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]F)2(GeC[6a]2H)	C[6a](C[6a]C[6a]F)2(GeC[6a]2H)	Ge(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]F)2(GeC[6a]2H){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(GeC[6a]2H){1|C<3>,2|F<1>}	110.9133	0.530	3	110.9133	0.281	3	109.3072	6.316	9	112.8183	8.779	56	109.8598	11.205	356	109.8598	11.205	356
310	643	643	0:SP3_SP2_SP2	Ge	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:	Ge(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(GeC[6a]2H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(GeC[6a]2H)	Ge(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(GeC[6a]2H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(GeC[6a]2H){1|C<3>,2|H<1>}	110.4060	1.297	3	110.4060	1.682	3	109.3072	6.316	9	112.8183	8.779	56	109.8598	11.205	356	109.8598	11.205	356
310	643	643	0:SP3_SP2_SP2	Ge	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:	Ge(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(GeC[6a]2H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(GeC[6a]2H)	Ge(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(GeC[6a]2H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(GeC[6a]2H){1|C<3>,2|H<1>}	106.6023	2.578	3	106.6023	6.648	3	109.3072	6.316	9	112.8183	8.779	56	109.8598	11.205	356	109.8598	11.205	356
310	643	643	0:SP3_SP2_SP2	Ge	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:	Ge(C[6a]C[6a]2)3(I)	C[6a](C[6a]C[6a]H)2(GeC[6a]2I)	C[6a](C[6a]C[6a]H)2(GeC[6a]2I)	Ge(C[6a]C[6a]2)3(I)	C[6a](C[6a]C[6a]H)2(GeC[6a]2I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(GeC[6a]2I){1|C<3>,2|H<1>}	112.5950	0.881	6	112.5950	0.777	6	112.5950	0.777	6	112.8183	8.779	56	109.8598	11.205	356	109.8598	11.205	356
310	643	643	0:SP3_SP2_SP2	Ge	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:	Ge(C[6a]C[6a]2)2(NHH)(H)	C[6a](C[6a]C[6a]2)2(GeC[6a]HN)	C[6a](C[6a]C[6a]2)2(GeC[6a]HN)	Ge(C[6a]C[6a]2)2(NHH)(H)	C[6a](C[6a]C[6a]2)2(GeC[6a]HN){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)2(GeC[6a]HN){2|H<1>,5|C<3>}	120.4060	0.000	1	120.4060	0.000	1	116.6855	27.684	2	112.8183	8.779	56	109.8598	11.205	356	109.8598	11.205	356
310	643	643	0:SP3_SP2_SP2	Ge	C[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:	Ge(C[6a]C[6a]2)2(NHN)(H)	C[6a](C[6a]C[6a]2)2(GeC[6a]HN)	C[6a](C[6a]C[6a]2)2(GeC[6a]HN)	Ge(C[6a]C[6a]2)2(NHN)(H)	C[6a](C[6a]C[6a]2)2(GeC[6a]HN){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)2(GeC[6a]HN){2|H<1>,5|C<3>}	112.9650	0.000	1	112.9650	0.000	1	116.6855	27.684	2	112.8183	8.779	56	109.8598	11.205	356	109.8598	11.205	356
310	643	643	0:SP3_SP2_SP2	Ge	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:	Ge(C[6a]C[6a]2)3(CC)	C[6a](C[6a]C[6a]H)2(GeC[6a]2C)	C[6a](C[6a]C[6a]H)2(GeC[6a]2C)	Ge(C[6a]C[6a]2)3(CC)	C[6a](C[6a]C[6a]H)2(GeC[6a]2C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(GeC[6a]2C){1|C<3>,2|H<1>}	110.6133	0.581	3	110.6133	0.338	3	109.8838	2.562	6	109.3519	10.432	39	109.8598	11.205	356	109.8598	11.205	356
310	643	643	0:SP3_SP2_SP2	Ge	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:	Ge(C[6a]C[6a]2)3(CMo)	C[6a](C[6a]C[6a]H)2(GeC[6a]2C)	C[6a](C[6a]C[6a]H)2(GeC[6a]2C)	Ge(C[6a]C[6a]2)3(CMo)	C[6a](C[6a]C[6a]H)2(GeC[6a]2C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(GeC[6a]2C){1|C<3>,2|H<1>}	109.1543	2.114	3	109.1543	4.469	3	109.8838	2.562	6	109.3519	10.432	39	109.8598	11.205	356	109.8598	11.205	356
310	643	643	0:SP3_SP2_SP2	Ge	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:	Ge(C[6a]C[6a]2)3(OO)	C[6a](C[6a]C[6a]H)2(GeC[6a]2O)	C[6a](C[6a]C[6a]H)2(GeC[6a]2O)	Ge(C[6a]C[6a]2)3(OO)	C[6a](C[6a]C[6a]H)2(GeC[6a]2O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(GeC[6a]2O){1|C<3>,2|H<1>}	112.9846	0.894	9	112.9846	0.798	9	112.9846	0.798	9	109.3519	10.432	39	109.8598	11.205	356	109.8598	11.205	356
310	643	643	0:SP3_SP2_SP2	Ge	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:P-2:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:	Ge(C[6a]C[6a]2)3(PC)	C[6a](C[6a]C[6a]H)2(GeC[6a]2P)	C[6a](C[6a]C[6a]H)2(GeC[6a]2P)	Ge(C[6a]C[6a]2)3(PC)	C[6a](C[6a]C[6a]H)2(GeC[6a]2P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(GeC[6a]2P){1|C<3>,2|H<1>}	107.9851	2.637	12	107.9851	6.955	12	107.2508	8.439	18	109.3519	10.432	39	109.8598	11.205	356	109.8598	11.205	356
310	643	643	0:SP3_SP2_SP2	Ge	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:P-2:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:	Ge(C[6a]C[6a]2)3(PC[5])	C[6a](C[6a]C[6a]H)2(GeC[6a]2P)	C[6a](C[6a]C[6a]H)2(GeC[6a]2P)	Ge(C[6a]C[6a]2)3(PC[5])	C[6a](C[6a]C[6a]H)2(GeC[6a]2P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(GeC[6a]2P){1|C<3>,2|H<1>}	105.7823	3.084	6	105.7823	9.509	6	107.2508	8.439	18	109.3519	10.432	39	109.8598	11.205	356	109.8598	11.205	356
310	643	643	0:SP3_SP2_SP2	Ge	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:	Ge(C[6a]C[6a]2)3(SFe)	C[6a](C[6a]C[6a]H)2(GeC[6a]2S)	C[6a](C[6a]C[6a]H)2(GeC[6a]2S)	Ge(C[6a]C[6a]2)3(SFe)	C[6a](C[6a]C[6a]H)2(GeC[6a]2S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(GeC[6a]2S){1|C<3>,2|H<1>}	107.9643	1.752	3	107.9643	3.070	3	107.9643	3.070	3	109.3519	10.432	39	109.8598	11.205	356	109.8598	11.205	356
310	643	643	0:SP3_SP2_SP2	Ge	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:	Ge(C[6a]C[6a]2)3(SeC)	C[6a](C[6a]C[6a]H)2(GeC[6a]2Se)	C[6a](C[6a]C[6a]H)2(GeC[6a]2Se)	Ge(C[6a]C[6a]2)3(SeC)	C[6a](C[6a]C[6a]H)2(GeC[6a]2Se){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(GeC[6a]2Se){1|C<3>,2|H<1>}	111.3847	2.185	3	111.3847	4.773	3	111.3847	4.773	3	109.3519	10.432	39	109.8598	11.205	356	109.8598	11.205	356
310	643	643	0:SP3_SP2_SP2	Ge	C[6a]	C[6a]	3:3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:	Ge(C[6a]C[6a]2)3(CCC)	C[6a](C[6a]C[6a]H)2(GeC[6a]2C)	C[6a](C[6a]C[6a]H)2(GeC[6a]2C)	Ge(C[6a]C[6a]2)3(CCC)	C[6a](C[6a]C[6a]H)2(GeC[6a]2C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(GeC[6a]2C){1|C<3>,2|H<1>}	108.9472	5.160	6	108.9472	26.631	6	109.6021	6.512	57	109.6208	5.630	88	109.8598	11.205	356	109.8598	11.205	356
310	643	643	0:SP3_SP2_SP2	Ge	C[6a]	C[6a]	3:3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:	Ge(C[6a]C[6a]2)3(CCF)	C[6a](C[6a]C[6a]H)2(GeC[6a]2C)	C[6a](C[6a]C[6a]H)2(GeC[6a]2C)	Ge(C[6a]C[6a]2)3(CCF)	C[6a](C[6a]C[6a]H)2(GeC[6a]2C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(GeC[6a]2C){1|C<3>,2|H<1>}	110.5103	1.000	15	110.5103	0.999	15	109.6021	6.512	57	109.6208	5.630	88	109.8598	11.205	356	109.8598	11.205	356
310	643	643	0:SP3_SP2_SP2	Ge	C[6a]	C[6a]	3:3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:	Ge(C[6a]C[6a]2)3(CCH)	C[6a](C[6a]C[6a]H)2(GeC[6a]2C)	C[6a](C[6a]C[6a]H)2(GeC[6a]2C)	Ge(C[6a]C[6a]2)3(CCH)	C[6a](C[6a]C[6a]H)2(GeC[6a]2C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(GeC[6a]2C){1|C<3>,2|H<1>}	109.4145	3.002	12	109.4145	9.010	12	109.6021	6.512	57	109.6208	5.630	88	109.8598	11.205	356	109.8598	11.205	356
310	643	643	0:SP3_SP2_SP2	Ge	C[6a]	C[6a]	3:3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:	Ge(C[6a]C[6a]2)3(CC[6a]C)	C[6a](C[6a]C[6a]H)2(GeC[6a]2C)	C[6a](C[6a]C[6a]H)2(GeC[6a]2C)	Ge(C[6a]C[6a]2)3(CC[6a]C)	C[6a](C[6a]C[6a]H)2(GeC[6a]2C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(GeC[6a]2C){1|C<3>,2|H<1>}	109.7333	1.665	15	109.7333	2.773	15	109.6021	6.512	57	109.6208	5.630	88	109.8598	11.205	356	109.8598	11.205	356
310	643	643	0:SP3_SP2_SP2	Ge	C[6a]	C[6a]	3:3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:	Ge(C[6a]C[6a]2)3(CN[5]C)	C[6a](C[6a]C[6a]H)2(GeC[6a]2C)	C[6a](C[6a]C[6a]H)2(GeC[6a]2C)	Ge(C[6a]C[6a]2)3(CN[5]C)	C[6a](C[6a]C[6a]H)2(GeC[6a]2C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(GeC[6a]2C){1|C<3>,2|H<1>}	108.5567	2.601	9	108.5567	6.765	9	109.6021	6.512	57	109.6208	5.630	88	109.8598	11.205	356	109.8598	11.205	356
310	643	643	0:SP3_SP2_SP2	Ge	C[6a]	C[6a]	3:3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:	Ge(C[6a]C[6a]2)4	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(GeC[6a]3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(GeC[6a]3)	Ge(C[6a]C[6a]2)4	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(GeC[6a]3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(GeC[6a]3){1|C<3>,2|H<1>}	109.4720	1.967	6	109.4720	3.869	6	109.3757	3.887	22	109.6208	5.630	88	109.8598	11.205	356	109.8598	11.205	356
310	643	643	0:SP3_SP2_SP2	Ge	C[6a]	C[6a]	3:3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:	Ge(C[6a]C[6a]2)4	C[6a](C[6a]C[6a]H)2(GeC[6a]3)	C[6a](C[6a]C[6a]H)2(GeC[6a]3)	Ge(C[6a]C[6a]2)4	C[6a](C[6a]C[6a]H)2(GeC[6a]3){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]H)2(GeC[6a]3){1|C<3>,2|F<1>}	108.7405	3.157	2	109.3396	4.148	16	109.3757	3.887	22	109.6208	5.630	88	109.8598	11.205	356	109.8598	11.205	356
310	643	643	0:SP3_SP2_SP2	Ge	C[6a]	C[6a]	3:3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:	Ge(C[6a]C[6a]2)4	C[6a](C[6a]C[6a]H)2(GeC[6a]3)	C[6a](C[6a]C[6a]H)2(GeC[6a]3)	Ge(C[6a]C[6a]2)4	C[6a](C[6a]C[6a]H)2(GeC[6a]3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(GeC[6a]3){1|C<3>,2|H<1>}	109.3734	2.201	11	109.3396	4.148	16	109.3757	3.887	22	109.6208	5.630	88	109.8598	11.205	356	109.8598	11.205	356
310	643	643	0:SP3_SP2_SP2	Ge	C[6a]	C[6a]	3:3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:	Ge(C[6a]C[6a]2)4	C[6a](C[6a]C[6a]H)2(GeC[6a]3)	C[6a](C[6a]C[6a]H)2(GeC[6a]3)	Ge(C[6a]C[6a]2)4	C[6a](C[6a]C[6a]H)2(GeC[6a]3){1|Pt<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)2(GeC[6a]3){1|C<3>,2|H<1>}	109.6153	1.194	3	109.3396	4.148	16	109.3757	3.887	22	109.6208	5.630	88	109.8598	11.205	356	109.8598	11.205	356
310	643	643	0:SP3_SP2_SP2	Ge	C[6a]	C[6a]	3:3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:	Ge(C[6a]C[6a]2)3(NC[6a]H)	C[6a](C[6a]C[6a]H)2(GeC[6a]2N)	C[6a](C[6a]C[6a]H)2(GeC[6a]2N)	Ge(C[6a]C[6a]2)3(NC[6a]H)	C[6a](C[6a]C[6a]H)2(GeC[6a]2N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(GeC[6a]2N){1|C<3>,2|H<1>}	110.7832	2.444	6	110.7832	5.973	6	110.3377	4.695	9	109.6208	5.630	88	109.8598	11.205	356	109.8598	11.205	356
310	643	643	0:SP3_SP2_SP2	Ge	C[6a]	C[6a]	3:3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:	Ge(C[6a]C[6a]2)3(NC[6a]Sn)	C[6a](C[6a]C[6a]H)2(GeC[6a]2N)	C[6a](C[6a]C[6a]H)2(GeC[6a]2N)	Ge(C[6a]C[6a]2)3(NC[6a]Sn)	C[6a](C[6a]C[6a]H)2(GeC[6a]2N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(GeC[6a]2N){1|C<3>,2|H<1>}	109.4467	1.436	3	109.4467	2.061	3	110.3377	4.695	9	109.6208	5.630	88	109.8598	11.205	356	109.8598	11.205	356
310	643	643	0:SP3_SP2_SP2	Ge	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:B[5]-3:	Ge-4:C[6a]-3:C[6a]-3:	Ge-4:C[6a]-3:C[6a]-3:	Ge(C[6a]C[6a]2)3(B[5]O[5]2)	C[6a](GeC[6a]2B[5])(C[6a]C[6a]H)2	C[6a](GeC[6a]2B[5])(C[6a]C[6a]H)2	Ge(C[6a]C[6a]2)3(B[5]O[5]2)	C[6a](GeC[6a]2B[5])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](GeC[6a]2B[5])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	108.0570	0.561	6	108.0570	0.315	6	108.0570	0.315	6	108.0570	0.315	6	109.8598	11.205	356	109.8598	11.205	356
310	643	643	0:SP3_SP2_SP2	Ge	C[6a]	C[6a]	3:3:3:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:	Ge(C[6a]C[6a]2)3(CC3)	C[6a](C[6a]C[6a]H)2(GeC[6a]2C)	C[6a](C[6a]C[6a]H)2(GeC[6a]2C)	Ge(C[6a]C[6a]2)3(CC3)	C[6a](C[6a]C[6a]H)2(GeC[6a]2C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(GeC[6a]2C){1|C<3>,2|H<1>}	109.2258	0.814	9	109.2258	0.663	9	109.7042	1.474	30	108.4392	4.027	117	109.8598	11.205	356	109.8598	11.205	356
310	643	643	0:SP3_SP2_SP2	Ge	C[6a]	C[6a]	3:3:3:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:	Ge(C[6a]C[6a]2)3(CCHH)	C[6a](C[6a]C[6a]H)2(GeC[6a]2C)	C[6a](C[6a]C[6a]H)2(GeC[6a]2C)	Ge(C[6a]C[6a]2)3(CCHH)	C[6a](C[6a]C[6a]H)2(GeC[6a]2C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(GeC[6a]2C){1|C<3>,2|H<1>}	110.2817	1.082	9	110.2817	1.170	9	109.7042	1.474	30	108.4392	4.027	117	109.8598	11.205	356	109.8598	11.205	356
310	643	643	0:SP3_SP2_SP2	Ge	C[6a]	C[6a]	3:3:3:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:	Ge(C[6a]C[6a]2)3(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(GeC[6a]2C)	C[6a](C[6a]C[6a]H)2(GeC[6a]2C)	Ge(C[6a]C[6a]2)3(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(GeC[6a]2C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(GeC[6a]2C){1|C<3>,2|H<1>}	109.8247	1.304	6	109.8247	1.701	6	109.7042	1.474	30	108.4392	4.027	117	109.8598	11.205	356	109.8598	11.205	356
310	643	643	0:SP3_SP2_SP2	Ge	C[6a]	C[6a]	3:3:3:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:	Ge(C[6a]C[6a]2)3(CH3)	C[6a](C[6a]C[6a]H)2(GeC[6a]2C)	C[6a](C[6a]C[6a]H)2(GeC[6a]2C)	Ge(C[6a]C[6a]2)3(CH3)	C[6a](C[6a]C[6a]H)2(GeC[6a]2C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(GeC[6a]2C){1|C<3>,2|H<1>}	109.4350	1.674	6	109.4350	2.803	6	109.7042	1.474	30	108.4392	4.027	117	109.8598	11.205	356	109.8598	11.205	356
310	643	643	0:SP3_SP2_SP2	Ge	C[6a]	C[6a]	3:3:3:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:	Ge(C[6a]C[6a]2)3(GeC3)	C[6a](C[6a]C[6a]H)2(GeC[6a]2Ge)	C[6a](C[6a]C[6a]H)2(GeC[6a]2Ge)	Ge(C[6a]C[6a]2)3(GeC3)	C[6a](C[6a]C[6a]H)2(GeC[6a]2Ge){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(GeC[6a]2Ge){1|C<3>,2|H<1>}	107.5396	1.409	12	107.5396	1.984	12	107.9920	4.178	71	108.4392	4.027	117	109.8598	11.205	356	109.8598	11.205	356
310	643	643	0:SP3_SP2_SP2	Ge	C[6a]	C[6a]	3:3:3:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:	Ge(C[6a]C[6a]2)3(GeC[6a]2Ge)	C[6a](C[6a]C[6a]H)2(GeC[6a]2Ge)	C[6a](C[6a]C[6a]H)2(GeC[6a]2Ge)	Ge(C[6a]C[6a]2)3(GeC[6a]2Ge)	C[6a](C[6a]C[6a]H)2(GeC[6a]2Ge){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(GeC[6a]2Ge){1|C<3>,2|H<1>}	107.7895	1.889	11	107.7895	3.570	11	107.9920	4.178	71	108.4392	4.027	117	109.8598	11.205	356	109.8598	11.205	356
310	643	643	0:SP3_SP2_SP2	Ge	C[6a]	C[6a]	3:3:3:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:	Ge(C[6a]C[6a]2)3(GeC[6a]3)	C[6a](C[6a]C[6a]F)2(GeC[6a]2Ge)	C[6a](C[6a]C[6a]F)2(GeC[6a]2Ge)	Ge(C[6a]C[6a]2)3(GeC[6a]3)	C[6a](C[6a]C[6a]F)2(GeC[6a]2Ge){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(GeC[6a]2Ge){1|C<3>,2|F<1>}	110.0673	1.164	3	110.0673	1.355	3	107.9920	4.178	71	108.4392	4.027	117	109.8598	11.205	356	109.8598	11.205	356
310	643	643	0:SP3_SP2_SP2	Ge	C[6a]	C[6a]	3:3:3:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:	Ge(C[6a]C[6a]2)3(GeC[6a]3)	C[6a](C[6a]C[6a]H)2(GeC[6a]2Ge)	C[6a](C[6a]C[6a]H)2(GeC[6a]2Ge)	Ge(C[6a]C[6a]2)3(GeC[6a]3)	C[6a](C[6a]C[6a]H)2(GeC[6a]2Ge){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(GeC[6a]2Ge){1|C<3>,2|H<1>}	112.4147	0.696	3	112.4147	0.485	3	107.9920	4.178	71	108.4392	4.027	117	109.8598	11.205	356	109.8598	11.205	356
310	643	643	0:SP3_SP2_SP2	Ge	C[6a]	C[6a]	3:3:3:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:	Ge(C[6a]C[6a]2)3(GeC[6a]CC)	C[6a](C[6a]C[6a]H)2(GeC[6a]2Ge)	C[6a](C[6a]C[6a]H)2(GeC[6a]2Ge)	Ge(C[6a]C[6a]2)3(GeC[6a]CC)	C[6a](C[6a]C[6a]H)2(GeC[6a]2Ge){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(GeC[6a]2Ge){1|C<3>,2|H<1>}	108.6877	1.592	3	108.6877	2.534	3	107.9920	4.178	71	108.4392	4.027	117	109.8598	11.205	356	109.8598	11.205	356
310	643	643	0:SP3_SP2_SP2	Ge	C[6a]	C[6a]	3:3:3:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:	Ge(C[6a]C[6a]2)3(GeC[6a]Ge2)	C[6a](C[6a]C[6a]H)2(GeC[6a]2Ge)	C[6a](C[6a]C[6a]H)2(GeC[6a]2Ge)	Ge(C[6a]C[6a]2)3(GeC[6a]Ge2)	C[6a](C[6a]C[6a]H)2(GeC[6a]2Ge){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(GeC[6a]2Ge){1|C<3>,2|H<1>}	107.4373	1.748	9	107.4373	3.054	9	107.9920	4.178	71	108.4392	4.027	117	109.8598	11.205	356	109.8598	11.205	356
310	643	643	0:SP3_SP2_SP2	Ge	C[6a]	C[6a]	3:3:3:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:	Ge(C[6a]C[6a]2)3(GeClGe2)	C[6a](C[6a]C[6a]H)2(GeC[6a]2Ge)	C[6a](C[6a]C[6a]H)2(GeC[6a]2Ge)	Ge(C[6a]C[6a]2)3(GeClGe2)	C[6a](C[6a]C[6a]H)2(GeC[6a]2Ge){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(GeC[6a]2Ge){1|C<3>,2|H<1>}	107.8865	1.951	12	107.8865	3.805	12	107.9920	4.178	71	108.4392	4.027	117	109.8598	11.205	356	109.8598	11.205	356
310	643	643	0:SP3_SP2_SP2	Ge	C[6a]	C[6a]	3:3:3:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:	Ge(C[6a]C[6a]2)3(GeGe2I)	C[6a](C[6a]C[6a]H)2(GeC[6a]2Ge)	C[6a](C[6a]C[6a]H)2(GeC[6a]2Ge)	Ge(C[6a]C[6a]2)3(GeGe2I)	C[6a](C[6a]C[6a]H)2(GeC[6a]2Ge){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(GeC[6a]2Ge){1|C<3>,2|H<1>}	107.7684	2.496	9	107.7684	6.232	9	107.9920	4.178	71	108.4392	4.027	117	109.8598	11.205	356	109.8598	11.205	356
310	643	643	0:SP3_SP2_SP2	Ge	C[6a]	C[6a]	3:3:3:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:	Ge(C[6a]C[6a]2)3(GeGeCC)	C[6a](C[6a]C[6a]H)2(GeC[6a]2Ge)	C[6a](C[6a]C[6a]H)2(GeC[6a]2Ge)	Ge(C[6a]C[6a]2)3(GeGeCC)	C[6a](C[6a]C[6a]H)2(GeC[6a]2Ge){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(GeC[6a]2Ge){1|C<3>,2|H<1>}	108.5587	1.209	3	108.5587	1.462	3	107.9920	4.178	71	108.4392	4.027	117	109.8598	11.205	356	109.8598	11.205	356
310	643	643	0:SP3_SP2_SP2	Ge	C[6a]	C[6a]	3:3:3:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:	Ge(C[6a]C[6a]2)3(GeGeSi2)	C[6a](C[6a]C[6a]H)2(GeC[6a]2Ge)	C[6a](C[6a]C[6a]H)2(GeC[6a]2Ge)	Ge(C[6a]C[6a]2)3(GeGeSi2)	C[6a](C[6a]C[6a]H)2(GeC[6a]2Ge){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(GeC[6a]2Ge){1|C<3>,2|H<1>}	106.7662	1.887	6	106.7662	3.562	6	107.9920	4.178	71	108.4392	4.027	117	109.8598	11.205	356	109.8598	11.205	356
310	643	643	0:SP3_SP2_SP2	Ge	C[6a]	C[6a]	3:3:3:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:	Ge(C[6a]C[6a]2)3(PMo2P)	C[6a](C[6a]C[6a]H)2(GeC[6a]2P)	C[6a](C[6a]C[6a]H)2(GeC[6a]2P)	Ge(C[6a]C[6a]2)3(PMo2P)	C[6a](C[6a]C[6a]H)2(GeC[6a]2P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(GeC[6a]2P){1|C<3>,2|H<1>}	109.6377	3.764	3	109.6377	14.167	3	109.6377	14.167	3	108.4392	4.027	117	109.8598	11.205	356	109.8598	11.205	356
310	643	643	0:SP3_SP2_SP2	Ge	C[6a]	C[6a]	3:3:3:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:	Ge(C[6a]C[6a]2)3(SiC3)	C[6a](C[6a]C[6a]H)2(GeC[6a]2Si)	C[6a](C[6a]C[6a]H)2(GeC[6a]2Si)	Ge(C[6a]C[6a]2)3(SiC3)	C[6a](C[6a]C[6a]H)2(GeC[6a]2Si){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(GeC[6a]2Si){1|C<3>,2|H<1>}	107.7768	1.289	6	107.7768	1.662	6	107.6855	2.475	13	108.4392	4.027	117	109.8598	11.205	356	109.8598	11.205	356
310	643	643	0:SP3_SP2_SP2	Ge	C[6a]	C[6a]	3:3:3:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:	Ge(C[6a]C[6a]2)3(SiGeSi2)	C[6a](C[6a]C[6a]H)2(GeC[6a]2Si)	C[6a](C[6a]C[6a]H)2(GeC[6a]2Si)	Ge(C[6a]C[6a]2)3(SiGeSi2)	C[6a](C[6a]C[6a]H)2(GeC[6a]2Si){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(GeC[6a]2Si){1|C<3>,2|H<1>}	107.5498	2.057	6	107.5498	4.232	6	107.6855	2.475	13	108.4392	4.027	117	109.8598	11.205	356	109.8598	11.205	356
310	643	643	0:SP3_SP2_SP2	Ge	C[6a]	C[6a]	3:3:3:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:	Ge(C[6a]C[6a]2)3(SiSi3)	C[6a](C[6a]C[6a]H)2(GeC[6a]2Si)	C[6a](C[6a]C[6a]H)2(GeC[6a]2Si)	Ge(C[6a]C[6a]2)3(SiSi3)	C[6a](C[6a]C[6a]H)2(GeC[6a]2Si){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(GeC[6a]2Si){1|C<3>,2|H<1>}	107.9520	0.000	1	107.9520	0.000	1	107.6855	2.475	13	108.4392	4.027	117	109.8598	11.205	356	109.8598	11.205	356
310	643	643	0:SP3_SP2_SP2	Ge	C[6a]	C[6a]	3:3:3:4:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:C-4:	Ge-4:C[6a]-3:C[6a]-3:	Ge-4:C[6a]-3:C[6a]-3:	Ge(C[6a]C[6a]2)2(C[5]N[5]2)(CH3)	C[6a](GeC[6a]C[5]C)(C[6a]C[6a]C)2	C[6a](GeC[6a]C[5]C)(C[6a]C[6a]C)2	Ge(C[6a]C[6a]2)2(C[5]N[5]2)(CH3)	C[6a](GeC[6a]C[5]C)(C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](GeC[6a]C[5]C)(C[6a]C[6a]C)2{1|C<3>,2|H<1>}	116.4675	0.087	2	116.4675	0.008	2	116.4675	0.008	2	116.4675	0.008	2	109.8598	11.205	356	109.8598	11.205	356
310	643	643	0:SP3_SP2_SP2	Ge	C[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:Ge-4:H-1:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)(H)	C[6a](C[6a]C[6a]H)2(GeC[6a]GeH)	C[6a](C[6a]C[6a]H)2(GeC[6a]GeH)	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)(H)	C[6a](C[6a]C[6a]H)2(GeC[6a]GeH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(GeC[6a]GeH){1|C<3>,2|H<1>}	108.8153	2.583	3	108.8153	6.673	3	108.8153	6.673	3	108.8153	6.673	3	109.8598	11.205	356	109.8598	11.205	356
310	643	643	0:SP3_SP2_SP2	Ge	C[6a]	C[6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:Ge-4:Br-1:	Ge-4:C[6a]-3:C[6a]-3:	Ge-4:C[6a]-3:C[6a]-3:	Ge(C[6a]C[6a]2)2(GeC[6a]2Br)(Br)	C[6a](GeC[6a]BrGe)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](GeC[6a]BrGe)(C[6a]C[6a]C)(C[6a]C[6a]H)	Ge(C[6a]C[6a]2)2(GeC[6a]2Br)(Br)	C[6a](GeC[6a]BrGe)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](GeC[6a]BrGe)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	114.7120	0.000	1	114.7120	0.000	1	114.7120	0.000	1	114.7120	0.000	1	109.8598	11.205	356	109.8598	11.205	356
310	643	643	0:SP3_SP2_SP2	Ge	C[6a]	C[6a]	3:3:4:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:	Ge(C[6a]C[6a]2)2(CCCH)(OC)	C[6a](C[6a]C[6a]H)2(GeC[6a]CO)	C[6a](C[6a]C[6a]H)2(GeC[6a]CO)	Ge(C[6a]C[6a]2)2(CCCH)(OC)	C[6a](C[6a]C[6a]H)2(GeC[6a]CO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(GeC[6a]CO){1|C<3>,2|H<1>}	111.9480	0.000	1	111.9480	0.000	1	111.9480	0.000	1	111.9480	0.000	1	109.8598	11.205	356	109.8598	11.205	356
310	643	643	0:SP3_SP2_SP2	Ge	C[6a]	C[6a]	3:3:4:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:Ge-4:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)(GeC3)	C[6a](C[6a]C[6a]H)2(GeC[6a]Ge2)	C[6a](C[6a]C[6a]H)2(GeC[6a]Ge2)	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)(GeC3)	C[6a](C[6a]C[6a]H)2(GeC[6a]Ge2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(GeC[6a]Ge2){1|C<3>,2|H<1>}	106.4143	1.804	4	106.4143	3.254	4	106.9525	2.847	22	106.9525	2.847	22	109.8598	11.205	356	109.8598	11.205	356
310	643	643	0:SP3_SP2_SP2	Ge	C[6a]	C[6a]	3:3:4:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:Ge-4:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)(GeC[6a]2H)	C[6a](C[6a]C[6a]H)2(GeC[6a]Ge2)	C[6a](C[6a]C[6a]H)2(GeC[6a]Ge2)	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)(GeC[6a]2H)	C[6a](C[6a]C[6a]H)2(GeC[6a]Ge2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(GeC[6a]Ge2){1|C<3>,2|H<1>}	108.2220	0.000	1	108.2220	0.000	1	106.9525	2.847	22	106.9525	2.847	22	109.8598	11.205	356	109.8598	11.205	356
310	643	643	0:SP3_SP2_SP2	Ge	C[6a]	C[6a]	3:3:4:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:Ge-4:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)(GeC[6a]2Pd)	C[6a](C[6a]C[6a]H)2(GeC[6a]Ge2)	C[6a](C[6a]C[6a]H)2(GeC[6a]Ge2)	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)(GeC[6a]2Pd)	C[6a](C[6a]C[6a]H)2(GeC[6a]Ge2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(GeC[6a]Ge2){1|C<3>,2|H<1>}	106.4460	1.179	6	106.4460	1.390	6	106.9525	2.847	22	106.9525	2.847	22	109.8598	11.205	356	109.8598	11.205	356
310	643	643	0:SP3_SP2_SP2	Ge	C[6a]	C[6a]	3:3:4:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:Ge-4:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)(GeC[6a]2Pt)	C[6a](C[6a]C[6a]H)2(GeC[6a]Ge2)	C[6a](C[6a]C[6a]H)2(GeC[6a]Ge2)	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)(GeC[6a]2Pt)	C[6a](C[6a]C[6a]H)2(GeC[6a]Ge2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(GeC[6a]Ge2){1|C<3>,2|H<1>}	107.8185	1.937	2	107.8185	3.751	2	106.9525	2.847	22	106.9525	2.847	22	109.8598	11.205	356	109.8598	11.205	356
310	643	643	0:SP3_SP2_SP2	Ge	C[6a]	C[6a]	3:3:4:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:Ge-4:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)(GeC[6a]3)	C[6a](C[6a]C[6a]H)2(GeC[6a]Ge2)	C[6a](C[6a]C[6a]H)2(GeC[6a]Ge2)	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)(GeC[6a]3)	C[6a](C[6a]C[6a]H)2(GeC[6a]Ge2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(GeC[6a]Ge2){1|C<3>,2|H<1>}	107.8263	2.007	3	107.8263	4.029	3	106.9525	2.847	22	106.9525	2.847	22	109.8598	11.205	356	109.8598	11.205	356
310	643	643	0:SP3_SP2_SP2	Ge	C[6a]	C[6a]	3:3:4:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:Ge-4:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)2	C[6a](C[6a]C[6a]H)2(GeC[6a]Ge2)	C[6a](C[6a]C[6a]H)2(GeC[6a]Ge2)	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)2	C[6a](C[6a]C[6a]H)2(GeC[6a]Ge2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(GeC[6a]Ge2){1|C<3>,2|H<1>}	106.3400	0.659	3	106.3400	0.434	3	106.9525	2.847	22	106.9525	2.847	22	109.8598	11.205	356	109.8598	11.205	356
310	643	643	0:SP3_SP2_SP2	Ge	C[6a]	C[6a]	3:3:4:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:Ge-4:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:	Ge(C[6a]C[6a]2)2(GeC[6a]2H)2	C[6a](C[6a]C[6a]H)2(GeC[6a]Ge2)	C[6a](C[6a]C[6a]H)2(GeC[6a]Ge2)	Ge(C[6a]C[6a]2)2(GeC[6a]2H)2	C[6a](C[6a]C[6a]H)2(GeC[6a]Ge2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(GeC[6a]Ge2){1|C<3>,2|H<1>}	110.3030	0.000	1	110.3030	0.000	1	106.9525	2.847	22	106.9525	2.847	22	109.8598	11.205	356	109.8598	11.205	356
310	643	643	0:SP3_SP2_SP2	Ge	C[6a]	C[6a]	3:3:4:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:Ge-4:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:	Ge(C[6a]C[6a]2)2(GeC[6a]2Pt)2	C[6a](C[6a]C[6a]H)2(GeC[6a]Ge2)	C[6a](C[6a]C[6a]H)2(GeC[6a]Ge2)	Ge(C[6a]C[6a]2)2(GeC[6a]2Pt)2	C[6a](C[6a]C[6a]H)2(GeC[6a]Ge2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(GeC[6a]Ge2){1|C<3>,2|H<1>}	103.9740	0.000	1	103.9740	0.000	1	106.9525	2.847	22	106.9525	2.847	22	109.8598	11.205	356	109.8598	11.205	356
310	643	643	0:SP3_SP2_SP2	Ge	C[6a]	C[6a]	3:3:4:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:Ge-4:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:	Ge(C[6a]C[6a]2)2(GeC[6a]3)2	C[6a](C[6a]C[6a]F)2(GeC[6a]Ge2)	C[6a](C[6a]C[6a]F)2(GeC[6a]Ge2)	Ge(C[6a]C[6a]2)2(GeC[6a]3)2	C[6a](C[6a]C[6a]F)2(GeC[6a]Ge2){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(GeC[6a]Ge2){1|C<3>,2|F<1>}	107.9860	0.000	1	107.9860	0.000	1	106.9525	2.847	22	106.9525	2.847	22	109.8598	11.205	356	109.8598	11.205	356
310	643	643	0:SP3_SP2_SP2	Ge	C[6a]	C[6a]	4:3:3:1:	4:3:3:	4:3:3:	C[5]-4:C[6a]-3:C[6a]-3:F-1:	Ge-4:C[6a]-3:C[6a]-3:	Ge-4:C[6a]-3:C[6a]-3:	Ge(C[5]C[5,6a]2H)(C[6a]C[6a]2)2(F)	C[6a](GeC[6a]C[5]F)(C[6a]C[6a]C)2	C[6a](GeC[6a]C[5]F)(C[6a]C[6a]C)2	Ge(C[5]C[5,6a]2H)(C[6a]C[6a]2)2(F)	C[6a](GeC[6a]C[5]F)(C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](GeC[6a]C[5]F)(C[6a]C[6a]C)2{1|C<3>,2|H<1>}	112.4740	0.000	1	112.4740	0.000	1	112.4740	0.000	1	112.4740	0.000	1	109.8598	11.205	356	109.8598	11.205	356
310	643	790	0:SP3_SP-NON_SP2	Ge	C[6a]	Cl	3:2:2:1:	3:3:4:	4:	C[6a]-3:C-2:C-2:Cl-1:	C[6a]-3:C[6a]-3:Ge-4:	Ge-4:	Ge(C[6a]C[6a]2)(CC)2(Cl)	C[6a](C[6a]C[6a]H)2(GeClCC)	Cl(GeC[6a]CC)	Ge(C[6a]C[6a]2)(CC)2(Cl)	C[6a](C[6a]C[6a]H)2(GeClCC){1|C<3>,2|H<1>}	Cl(GeC[6a]CC)	107.6360	0.000	1	107.6360	0.000	1	107.6360	0.000	1	107.6360	0.000	1	106.3308	4.387	33	106.3308	4.387	33
310	643	790	0:SP3_SP-NON_SP2	Ge	C[6a]	Cl	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:Cl-1:Cl-1:	C[6a]-3:C[6a]-3:Ge-4:	Ge-4:	Ge(C[6a]C[6a]2)2(Cl)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(GeC[6a]Cl2)	Cl(GeC[6a]2Cl)	Ge(C[6a]C[6a]2)2(Cl)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(GeC[6a]Cl2){1|C<3>,2|H<1>}	Cl(GeC[6a]2Cl)	108.2185	0.357	4	108.2185	0.128	4	108.2185	0.128	4	108.2185	0.128	4	106.3308	4.387	33	106.3308	4.387	33
310	643	790	0:SP3_SP-NON_SP2	Ge	C[6a]	Cl	3:3:2:1:	3:3:4:	4:	C[6a]-3:C-3:C-2:Cl-1:	C[6a]-3:C[6a]-3:Ge-4:	Ge-4:	Ge(C[6a]C[6a]2)(CGaC)(CC)(Cl)	C[6a](C[6a]C[6a]H)2(GeClCC)	Cl(GeC[6a]CC)	Ge(C[6a]C[6a]2)(CGaC)(CC)(Cl)	C[6a](C[6a]C[6a]H)2(GeClCC){1|C<3>,2|H<1>}	Cl(GeC[6a]CC)	103.1970	0.000	1	103.1970	0.000	1	103.1970	0.000	1	106.4853	8.722	3	106.3308	4.387	33	106.3308	4.387	33
310	643	790	0:SP3_SP-NON_SP2	Ge	C[6a]	Cl	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-2:Cl-1:	C[6a]-3:C[6a]-3:Ge-4:	Ge-4:	Ge(C[6a]C[6a]2)2(CC)(Cl)	C[6a](C[6a]C[6a]H)2(GeC[6a]ClC)	Cl(GeC[6a]2C)	Ge(C[6a]C[6a]2)2(CC)(Cl)	C[6a](C[6a]C[6a]H)2(GeC[6a]ClC){1|C<3>,2|H<1>}	Cl(GeC[6a]2C)	108.1295	1.107	2	108.1295	1.225	2	108.1295	1.225	2	106.4853	8.722	3	106.3308	4.387	33	106.3308	4.387	33
310	643	790	0:SP3_SP-NON_SP2	Ge	C[6a]	Cl	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Ge-4:	Ge-4:	Ge(C[6a]C[6a]2)3(Cl)	C[6a](C[6a]C[6a]F)2(GeC[6a]2Cl)	Cl(GeC[6a]3)	Ge(C[6a]C[6a]2)3(Cl)	C[6a](C[6a]C[6a]F)2(GeC[6a]2Cl){1|C<3>,2|F<1>}	Cl(GeC[6a]3)	105.8360	0.000	1	105.8360	0.000	1	105.9580	4.294	25	105.9580	4.294	25	106.3308	4.387	33	106.3308	4.387	33
310	643	790	0:SP3_SP-NON_SP2	Ge	C[6a]	Cl	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Ge-4:	Ge-4:	Ge(C[6a]C[6a]2)3(Cl)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(GeC[6a]2Cl)	Cl(GeC[6a]3)	Ge(C[6a]C[6a]2)3(Cl)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(GeC[6a]2Cl){1|C<3>,2|H<1>}	Cl(GeC[6a]3)	106.0753	2.526	6	106.0753	6.381	6	105.9580	4.294	25	105.9580	4.294	25	106.3308	4.387	33	106.3308	4.387	33
310	643	790	0:SP3_SP-NON_SP2	Ge	C[6a]	Cl	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Ge-4:	Ge-4:	Ge(C[6a]C[6a]2)3(Cl)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(GeC[6a]2Cl)	Cl(GeC[6a]3)	Ge(C[6a]C[6a]2)3(Cl)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(GeC[6a]2Cl){1|C<3>,2|H<1>}	Cl(GeC[6a]3)	105.8423	4.750	3	105.8423	22.565	3	105.9580	4.294	25	105.9580	4.294	25	106.3308	4.387	33	106.3308	4.387	33
310	643	790	0:SP3_SP-NON_SP2	Ge	C[6a]	Cl	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Ge-4:	Ge-4:	Ge(C[6a]C[6a]2)3(Cl)	C[6a](C[6a]C[6a]H)2(GeC[6a]2Cl)	Cl(GeC[6a]3)	Ge(C[6a]C[6a]2)3(Cl)	C[6a](C[6a]C[6a]H)2(GeC[6a]2Cl){1|C<3>,2|H<1>}	Cl(GeC[6a]3)	105.9423	1.360	15	105.9423	1.849	15	105.9580	4.294	25	105.9580	4.294	25	106.3308	4.387	33	106.3308	4.387	33
310	643	818	0:SP3_SP2_SP2	Ge	C[6a]	C[5]	3:3:3:4:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:C-4:	Ge-4:C[6a]-3:C[6a]-3:	Ge-4:N[5]-3:N[5]-3:	Ge(C[6a]C[6a]2)2(C[5]N[5]2)(CH3)	C[6a](GeC[6a]C[5]C)(C[6a]C[6a]C)2	C[5](GeC[6a]2C)(N[5]C[5]C)2	Ge(C[6a]C[6a]2)2(C[5]N[5]2)(CH3)	C[6a](GeC[6a]C[5]C)(C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[5](GeC[6a]2C)(N[5]C[5]C)2{2|C<4>}	109.1790	2.380	4	109.1790	5.663	4	109.1790	5.663	4	109.1790	5.663	4	109.1790	5.663	4	109.1790	5.663	4
310	643	830	0:SP3_SP-NON_SP2	Ge	C[6a]	F	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:Ge-4:	Ge-4:	Ge(C[6a]C[6a]2)3(F)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(GeC[6a]2F)	F(GeC[6a]3)	Ge(C[6a]C[6a]2)3(F)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(GeC[6a]2F){1|C<3>,2|H<1>}	F(GeC[6a]3)	96.9873	0.430	3	96.9873	0.185	3	100.8745	18.265	6	97.5480	50.992	8	99.5532	50.521	11	99.5532	50.521	11
310	643	830	0:SP3_SP-NON_SP2	Ge	C[6a]	F	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:Ge-4:	Ge-4:	Ge(C[6a]C[6a]2)3(F)	C[6a](C[6a]C[6a]H)2(GeC[6a]2F)	F(GeC[6a]3)	Ge(C[6a]C[6a]2)3(F)	C[6a](C[6a]C[6a]H)2(GeC[6a]2F){1|C<3>,2|H<1>}	F(GeC[6a]3)	104.7617	0.382	3	104.7617	0.146	3	100.8745	18.265	6	97.5480	50.992	8	99.5532	50.521	11	99.5532	50.521	11
310	643	830	0:SP3_SP-NON_SP2	Ge	C[6a]	F	3:3:3:1:	3:3:4:	4:	C[6a]-3:N-3:N-3:F-1:	C[6a]-3:C[6a]-3:Ge-4:	Ge-4:	Ge(C[6a]C[6a]2)(NCC)2(F)	C[6a](C[6a]C[6a]F)2(GeFNN)	F(GeC[6a]NN)	Ge(C[6a]C[6a]2)(NCC)2(F)	C[6a](C[6a]C[6a]F)2(GeFNN){1|N<2>,2|F<1>}	F(GeC[6a]NN)	87.5687	0.236	2	87.5687	0.055	2	87.5687	0.055	2	97.5480	50.992	8	99.5532	50.521	11	99.5532	50.521	11
310	643	830	0:SP3_SP-NON_SP2	Ge	C[6a]	F	3:3:4:1:	3:3:4:	4:	C[6a]-3:C-3:C-4:F-1:	C[6a]-3:C[6a]-3:Ge-4:	Ge-4:	Ge(C[6a]C[6a]2)(CClP)(CC3)(F)	C[6a](C[6a]C[6a]C)2(GeCCF)	F(GeC[6a]CC)	Ge(C[6a]C[6a]2)(CClP)(CC3)(F)	C[6a](C[6a]C[6a]C)2(GeCCF){1|C<3>,2|H<1>}	F(GeC[6a]CC)	106.2610	0.000	1	106.2610	0.000	1	106.2610	0.000	1	106.2610	0.000	1	99.5532	50.521	11	99.5532	50.521	11
310	643	830	0:SP3_SP-NON_SP2	Ge	C[6a]	F	4:3:3:1:	4:3:3:	4:	C[5]-4:C[6a]-3:C[6a]-3:F-1:	Ge-4:C[6a]-3:C[6a]-3:	Ge-4:	Ge(C[5]C[5,6a]2H)(C[6a]C[6a]2)2(F)	C[6a](GeC[6a]C[5]F)(C[6a]C[6a]C)2	F(GeC[6a]2C[5])	Ge(C[5]C[5,6a]2H)(C[6a]C[6a]2)2(F)	C[6a](GeC[6a]C[5]F)(C[6a]C[6a]C)2{1|C<3>,2|H<1>}	F(GeC[6a]2C[5])	104.2200	5.248	2	104.2200	27.543	2	104.2200	27.543	2	104.2200	27.543	2	99.5532	50.521	11	99.5532	50.521	11
310	643	880	0:SP3_SP2_SP3	Ge	C[6a]	Si	3:3:3:4:	3:3:4:	4:4:4:4:	C[6a]-3:C[6a]-3:C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:Ge-4:	Ge-4:C-4:C-4:C-4:	Ge(C[6a]C[6a]2)3(SiC3)	C[6a](C[6a]C[6a]H)2(GeC[6a]2Si)	Si(GeC[6a]3)(CC3)(CH3)2	Ge(C[6a]C[6a]2)3(SiC3)	C[6a](C[6a]C[6a]H)2(GeC[6a]2Si){1|C<3>,2|H<1>}	Si(GeC[6a]3)(CC3)(CH3)2	110.7270	3.016	3	110.7270	9.098	3	111.0697	6.317	6	111.1658	3.934	13	111.1658	3.934	13	111.1658	3.934	13
310	643	880	0:SP3_SP2_SP3	Ge	C[6a]	Si	3:3:3:4:	3:3:4:	4:4:4:4:	C[6a]-3:C[6a]-3:C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:Ge-4:	Ge-4:C-4:C-4:C-4:	Ge(C[6a]C[6a]2)3(SiC3)	C[6a](C[6a]C[6a]H)2(GeC[6a]2Si)	Si(GeC[6a]3)(CH3)3	Ge(C[6a]C[6a]2)3(SiC3)	C[6a](C[6a]C[6a]H)2(GeC[6a]2Si){1|C<3>,2|H<1>}	Si(GeC[6a]3)(CH3)3	111.4123	2.518	3	111.4123	6.342	3	111.0697	6.317	6	111.1658	3.934	13	111.1658	3.934	13	111.1658	3.934	13
310	643	880	0:SP3_SP2_SP3	Ge	C[6a]	Si	3:3:3:4:	3:3:4:	4:4:4:4:	C[6a]-3:C[6a]-3:C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:Ge-4:	Ge-4:Ge-4:Si-4:Si-4:	Ge(C[6a]C[6a]2)3(SiGeSi2)	C[6a](C[6a]C[6a]H)2(GeC[6a]2Si)	Si(GeC[6a]3)2(SiH3)2	Ge(C[6a]C[6a]2)3(SiGeSi2)	C[6a](C[6a]C[6a]H)2(GeC[6a]2Si){1|C<3>,2|H<1>}	Si(GeC[6a]3)2(SiH3)2	111.2978	1.756	6	111.2978	3.082	6	111.2978	3.082	6	111.1658	3.934	13	111.1658	3.934	13	111.1658	3.934	13
310	643	880	0:SP3_SP2_SP3	Ge	C[6a]	Si	3:3:3:4:	3:3:4:	4:4:4:4:	C[6a]-3:C[6a]-3:C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:Ge-4:	Ge-4:Si-4:Si-4:Si-4:	Ge(C[6a]C[6a]2)3(SiSi3)	C[6a](C[6a]C[6a]H)2(GeC[6a]2Si)	Si(GeC[6a]3)(SiH3)3	Ge(C[6a]C[6a]2)3(SiSi3)	C[6a](C[6a]C[6a]H)2(GeC[6a]2Si){1|C<3>,2|H<1>}	Si(GeC[6a]3)(SiH3)3	110.9500	0.000	1	110.9500	0.000	1	110.9500	0.000	1	111.1658	3.934	13	111.1658	3.934	13	111.1658	3.934	13
310	643	893	0:SP3_SP2_SP3	Ge	C[6a]	O	3:3:2:2:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:O-2:O-2:	C[5,6a]-3:C[5,6a]-3:Ge-4:	Ge-4:H-1:	Ge(C[6a]C[5,6a]2)2(OH)2	C[6a](C[5,6a]C[5,6a]C[5])2(GeC[6a]OO)	O(GeC[6a]2O)(H)	Ge(C[6a]C[5,6a]2)2(OH)2	C[6a](C[5,6a]C[5,6a]C[5])2(GeC[6a]OO){1|C<3>,8|C<4>}	O(GeC[6a]2O)(H)	107.9590	7.272	4	107.9590	52.879	4	107.9590	52.879	4	107.9590	52.879	4	106.2936	31.334	15	106.2936	31.334	15
310	643	893	0:SP3_SP2_SP3	Ge	C[6a]	O	3:3:3:2:	3:3:4:	4:2:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Ge-4:	Ge-4:O-2:	Ge(C[6a]C[6a]2)3(OO)	C[6a](C[6a]C[6a]H)2(GeC[6a]2O)	O(GeC[6a]3)(OGe)	Ge(C[6a]C[6a]2)3(OO)	C[6a](C[6a]C[6a]H)2(GeC[6a]2O){1|C<3>,2|H<1>}	O(GeC[6a]3)(OGe)	106.7790	5.362	3	106.7790	28.746	3	105.6047	24.184	9	105.6047	24.184	9	106.2936	31.334	15	106.2936	31.334	15
310	643	893	0:SP3_SP2_SP3	Ge	C[6a]	O	3:3:3:2:	3:3:4:	4:2:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Ge-4:	Ge-4:O-2:	Ge(C[6a]C[6a]2)3(OO)	C[6a](C[6a]C[6a]H)2(GeC[6a]2O)	O(GeC[6a]3)(OH)	Ge(C[6a]C[6a]2)3(OO)	C[6a](C[6a]C[6a]H)2(GeC[6a]2O){1|C<3>,2|H<1>}	O(GeC[6a]3)(OH)	105.0175	5.095	6	105.0175	25.954	6	105.6047	24.184	9	105.6047	24.184	9	106.2936	31.334	15	106.2936	31.334	15
310	643	893	0:SP3_SP2_SP3	Ge	C[6a]	O	3:3:4:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:Ge-4:	Ge-4:C-4:	Ge(C[6a]C[6a]2)2(CCCH)(OC)	C[6a](C[6a]C[6a]H)2(GeC[6a]CO)	O(GeC[6a]2C)(CC3)	Ge(C[6a]C[6a]2)2(CCCH)(OC)	C[6a](C[6a]C[6a]H)2(GeC[6a]CO){1|C<3>,2|H<1>}	O(GeC[6a]2C)(CC3)	106.0630	8.432	2	106.0630	71.091	2	106.0630	71.091	2	106.0630	71.091	2	106.2936	31.334	15	106.2936	31.334	15