818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5,5]	S	3:2:1:	3:4:3:	3:	N[5,5]-3:S[5]-2:S-1:	C[5,5]-3:C[5]-4:C[5]-3:	C[5]-3:	C[5](N[5,5]C[5,5]C[5])(S[5]N[5])(S)	N[5,5](C[5,5]N[5]2)(C[5]C[5]HH)(C[5]S[5]S)	S(C[5]N[5,5]S[5])	C[5](N[5,5]C[5,5]C[5])(S[5]N[5])(S){1|C<4>,1|N<3>,2|H<1>}	N[5,5](C[5,5]N[5]2)(C[5]C[5]HH)(C[5]S[5]S){1|C<3>,2|H<1>}	S(C[5]N[5,5]S[5])	127.6210	0.000	1	127.4337	0.026	3	127.4337	0.026	3	127.4337	0.026	3	123.9766	18.737	10	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5,5]	S	3:2:1:	3:4:3:	3:	N[5,5]-3:S[5]-2:S-1:	C[5,5]-3:C[5]-4:C[5]-3:	C[5]-3:	C[5](N[5,5]C[5,5]C[5])(S[5]N[5])(S)	N[5,5](C[5,5]N[5]2)(C[5]C[5]HH)(C[5]S[5]S)	S(C[5]N[5,5]S[5])	C[5](N[5,5]C[5,5]C[5])(S[5]N[5])(S){1|C<4>,1|N<3>,2|H<1>}	N[5,5](C[5,5]N[5]2)(C[5]C[5]HH)(C[5]S[5]S){1|C<4>,2|H<1>}	S(C[5]N[5,5]S[5])	127.3400	0.000	2	127.4337	0.026	3	127.4337	0.026	3	127.4337	0.026	3	123.9766	18.737	10	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5,5]	S	3:3:1:	3:3:3:	3:	N[5,5]-3:N[5]-3:S-1:	N[5,5]-3:C[5]-3:C[5]-3:	C[5]-3:	C[5](N[5,5]N[5,5]C[5])(N[5]B[5]C)(S)	N[5,5](N[5,5]B[5]C[5])(C[5]C[5]C)(C[5]N[5]S)	S(C[5]N[5,5]N[5])	C[5](N[5,5]N[5,5]C[5])(N[5]B[5]C)(S){1|C<4>,4|C<3>}	N[5,5](N[5,5]B[5]C[5])(C[5]C[5]C)(C[5]N[5]S){1|H<1>,2|C<3>,2|C<4>}	S(C[5]N[5,5]N[5])	126.2000	0.000	1	126.2000	0.000	1	126.2000	0.000	1	126.2000	0.000	1	123.9766	18.737	10	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5,5]	S	3:3:1:	3:4:3:	3:	N[5,5]-3:C[5]-3:S-1:	C[5,5]-3:C[5]-4:C[5]-3:	C[5]-3:	C[5](N[5,5]C[5,5]C[5])(C[5]C[6a]S[5])(S)	N[5,5](C[5,5]N[5]S[5])(C[5]C[5]HH)(C[5]C[5]S)	S(C[5]N[5,5]C[5])	C[5](N[5,5]C[5,5]C[5])(C[5]C[6a]S[5])(S){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5,5](C[5,5]N[5]S[5])(C[5]C[5]HH)(C[5]C[5]S){2|C<3>,2|H<1>}	S(C[5]N[5,5]C[5])	117.9605	0.120	2	117.9605	0.014	2	117.9605	0.014	2	117.9605	0.014	2	123.9766	18.737	10	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5,5]	S	3:3:1:	4:3:3:	3:	C[5]-3:N[5,5]-3:S-1:	C[5,5]-4:C[5,5]-3:C[5]-3:	C[5]-3:	C[5](C[5]C[6a]S[5])(N[5,5]C[5,5]2)(S)	N[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]N[5]S[5])(C[5]C[5]S)	S(C[5]N[5,5]C[5])	C[5](C[5]C[6a]S[5])(N[5,5]C[5,5]2)(S){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	N[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]N[5]S[5])(C[5]C[5]S){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	S(C[5]N[5,5]C[5])	117.5030	0.000	1	117.5030	0.000	1	117.5030	0.000	1	122.7657	20.776	3	123.9766	18.737	10	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5,5]	S	3:3:1:	4:3:3:	3:	N[5,5]-3:N[5]-3:S-1:	C[5,5]-4:N[5]-3:C[5]-3:	C[5]-3:	C[5](N[5,5]C[5,5]N[5])(N[5]C[5]H)(S)	N[5,5](C[5,5]C[5,5]C[5]O)(N[5]C[5,5]H)(C[5]N[5]S)	S(C[5]N[5,5]N[5])	C[5](N[5,5]C[5,5]N[5])(N[5]C[5]H)(S){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	N[5,5](C[5,5]C[5,5]C[5]O)(N[5]C[5,5]H)(C[5]N[5]S){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	S(C[5]N[5,5]N[5])	125.3970	0.093	2	125.3970	0.009	2	125.3970	0.009	2	122.7657	20.776	3	123.9766	18.737	10	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5,5]	S	3:3:1:	4:4:3:	3:	N[5,5]-3:N[5]-3:S-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-3:	C[5](N[5,5]C[5,5]C[5])(N[5]C[5]C)(S)	N[5,5](C[5,5]C[5]2H)(C[5]S[5]CH)(C[5]N[5]S)	S(C[5]N[5,5]N[5])	C[5](N[5,5]C[5,5]C[5])(N[5]C[5]C)(S){1|O<1>,1|S<2>,2|C<4>,2|H<1>}	N[5,5](C[5,5]C[5]2H)(C[5]S[5]CH)(C[5]N[5]S){1|C<4>,1|O<1>,2|H<1>}	S(C[5]N[5,5]N[5])	127.0470	0.000	1	127.0470	0.000	1	127.0470	0.000	1	127.0470	0.000	1	123.9766	18.737	10	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5,6]	S	3:2:1:	4:4:3:	3:	N[5,6]-3:N[5]-2:S-1:	C[5,5,6]-4:C[6]-4:C[5]-3:	C[5]-3:	C[5](N[5,6]C[5,5,6]C[6])(N[5]C[5,5])(S)	N[5,6](C[5,5,6]C[5,5]N[5,6]C[6a])(C[6]N[6]HH)(C[5]N[5]S)	S(C[5]N[5,6]N[5])	C[5](N[5,6]C[5,5,6]C[6])(N[5]C[5,5])(S){2|C<3>,2|H<1>,3|N<3>}	N[5,6](C[5,5,6]C[5,5]N[5,6]C[6a])(C[6]N[6]HH)(C[5]N[5]S){1|N<3>,2|C<4>,4|C<3>}	S(C[5]N[5,6]N[5])	125.7460	0.000	1	125.7460	0.000	1	125.7460	0.000	1	127.7336	1.274	5	126.8494	2.169	13	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5,6]	S	3:2:1:	4:4:3:	3:	N[5,6]-3:S[5]-2:S-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5]-3:	C[5](N[5,6]C[5,6]C[6])(S[5]C[5])(S)	N[5,6](C[5,6]C[5a,6]C[5]C)(C[6]C[6]HH)(C[5]S[5]S)	S(C[5]N[5,6]S[5])	C[5](N[5,6]C[5,6]C[6])(S[5]C[5])(S){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5,6](C[5,6]C[5a,6]C[5]C)(C[6]C[6]HH)(C[5]S[5]S){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	S(C[5]N[5,6]S[5])	128.2305	0.228	4	128.2305	0.052	4	128.2305	0.052	4	127.7336	1.274	5	126.8494	2.169	13	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5,6]	S	3:3:1:	3:3:3:	3:	N[5,6]-3:N[5]-3:S-1:	C[6,6a]-3:C[5,6]-3:C[5]-3:	C[5]-3:	C[5](N[5,6]C[6,6a]C[5,6])(N[5]C[5]H)(S)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6])(C[5]N[5]S)	S(C[5]N[5,6]N[5])	C[5](N[5,6]C[6,6a]C[5,6])(N[5]C[5]H)(S){1|O<2>,3|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6])(C[5]N[5]S){1|C<4>,2|H<1>,3|C<3>}	S(C[5]N[5,6]N[5])	129.1540	0.000	1	129.1540	0.000	1	129.1540	0.000	1	129.1540	0.000	1	126.8494	2.169	13	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5,6]	S	3:3:1:	4:3:4:	3:	C[5,6]-3:N[5,6]-3:S-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[5]-3:	C[5](C[5,6]C[5,6]C[6])(N[5,6]C[5,6]C[6])(S)	N[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5,6]S)(C[6]C[6]HH)	S(C[5]C[5,6]N[5,6])	C[5](C[5,6]C[5,6]C[6])(N[5,6]C[5,6]C[6])(S){2|C<3>,3|C<4>,4|H<1>}	N[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5,6]S)(C[6]C[6]HH){1|C<4>,2|H<1>,4|C<3>}	S(C[5]C[5,6]N[5,6])	126.3140	0.000	1	126.3140	0.000	1	126.3140	0.000	1	126.3140	0.000	1	126.8494	2.169	13	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5,6]	S	3:3:1:	4:4:3:	3:	N[5,6]-3:N[5]-3:S-1:	C[5,5,6]-4:C[6]-4:C[5]-3:	C[5]-3:	C[5](N[5,6]C[5,5,6]C[6])(N[5]C[5,5]H)(S)	N[5,6](C[5,5,6]C[5,5]N[5,6]C[6a])(C[6]N[6]HH)(C[5]N[5]S)	S(C[5]N[5,6]N[5])	C[5](N[5,6]C[5,5,6]C[6])(N[5]C[5,5]H)(S){1|N<2>,2|C<3>,2|H<1>,2|N<3>}	N[5,6](C[5,5,6]C[5,5]N[5,6]C[6a])(C[6]N[6]HH)(C[5]N[5]S){1|H<1>,1|N<2>,2|C<4>,4|C<3>}	S(C[5]N[5,6]N[5])	125.2140	0.000	1	125.2113	0.826	3	125.2113	0.826	3	125.2113	0.826	3	126.8494	2.169	13	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5,6]	S	3:3:1:	4:4:3:	3:	N[5,6]-3:N[5]-3:S-1:	C[5,5,6]-4:C[6]-4:C[5]-3:	C[5]-3:	C[5](N[5,6]C[5,5,6]C[6])(N[5]C[5,5]H)(S)	N[5,6](C[5,5,6]C[5,5]N[5,6]C[6a])(C[6]N[6]HH)(C[5]N[5]S)	S(C[5]N[5,6]N[5])	C[5](N[5,6]C[5,5,6]C[6])(N[5]C[5,5]H)(S){2|C<3>,2|H<1>,3|N<3>}	N[5,6](C[5,5,6]C[5,5]N[5,6]C[6a])(C[6]N[6]HH)(C[5]N[5]S){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	S(C[5]N[5,6]N[5])	125.2100	1.286	2	125.2113	0.826	3	125.2113	0.826	3	125.2113	0.826	3	126.8494	2.169	13	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5,6]	S	3:4:1:	4:4:3:	3:	N[5,6]-3:C[5]-4:S-1:	C[5,5,6]-4:C[6]-4:C[5]-3:	C[5]-3:	C[5](N[5,6]C[5,5,6]C[6])(C[5]C[5]HH)(S)	N[5,6](C[5,5,6]C[5,6]C[5]2)(C[6]C[6]HH)(C[5]C[5]S)	S(C[5]N[5,6]C[5])	C[5](N[5,6]C[5,5,6]C[6])(C[5]C[5]HH)(S){3|C<4>,4|H<1>}	N[5,6](C[5,5,6]C[5,6]C[5]2)(C[6]C[6]HH)(C[5]C[5]S){10|H<1>,2|C<4>}	S(C[5]N[5,6]C[5])	126.8200	0.495	2	126.8200	0.245	2	126.8200	0.245	2	126.4240	0.593	3	126.8494	2.169	13	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5,6]	S	3:4:1:	4:4:3:	3:	N[5,6]-3:C[5]-4:S-1:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[5]-3:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]CH)(S)	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]C[5]S)	S(C[5]N[5,6]C[5])	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]CH)(S){3|H<1>,4|C<4>}	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]C[5]S){4|H<1>,5|C<4>}	S(C[5]N[5,6]C[5])	125.6320	0.000	1	125.6320	0.000	1	125.6320	0.000	1	126.4240	0.593	3	126.8494	2.169	13	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	2:3:1:	3:3:1:	3:	S[5]-2:N[5]-3:S-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:	C[5](S[5]C[5,5])(N[5]C[5]H)(S)	N[5](C[5]C[5,5]O)(C[5]S[5]S)(H)	S(C[5]N[5]S[5])	C[5](S[5]C[5,5])(N[5]C[5]H)(S){1|O<1>,2|C<4>}	N[5](C[5]C[5,5]O)(C[5]S[5]S)(H){2|C<4>}	S(C[5]N[5]S[5])	126.1520	0.433	3	126.1520	0.187	3	126.1520	0.187	3	126.1520	0.187	3	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	2:3:1:	3:3:4:	3:	S[5]-2:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](S[5]C[5,5])(N[5]C[5]C)(S)	N[5](C[5]C[5,5]O)(C[5]S[5]S)(CC3)	S(C[5]N[5]S[5])	C[5](S[5]C[5,5])(N[5]C[5]C)(S){1|O<1>,2|C<4>}	N[5](C[5]C[5,5]O)(C[5]S[5]S)(CC3){2|C<4>}	S(C[5]N[5]S[5])	130.1130	0.000	1	130.1130	0.000	1	128.8715	3.083	2	128.8715	3.083	2	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	2:3:1:	3:3:4:	3:	S[5]-2:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](S[5]C[5,6])(N[5]C[5]C)(S)	N[5](C[5]C[5,6]O)(C[5]S[5]S)(CCCH)	S(C[5]N[5]S[5])	C[5](S[5]C[5,6])(N[5]C[5]C)(S){1|O<1>,2|C<4>}	N[5](C[5]C[5,6]O)(C[5]S[5]S)(CCCH){2|C<4>}	S(C[5]N[5]S[5])	127.6300	0.000	1	127.6300	0.000	1	128.8715	3.083	2	128.8715	3.083	2	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	2:3:1:	4:3:1:	3:	O[5]-2:N[5]-3:S-1:	C[5]-4:C[5]-3:H-1:	C[5]-3:	C[5](O[5]C[5,5])(N[5]C[5]H)(S)	N[5](C[5]C[5,5]CC)(C[5]O[5]S)(H)	S(C[5]N[5]O[5])	C[5](O[5]C[5,5])(N[5]C[5]H)(S){1|C<4>,3|C<3>}	N[5](C[5]C[5,5]CC)(C[5]O[5]S)(H){2|C<3>}	S(C[5]N[5]O[5])	130.3610	0.000	1	130.3610	0.000	1	130.3610	0.000	1	130.3610	0.000	1	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	2:3:1:	4:3:4:	3:	N[5]-2:N[5]-3:S-1:	C[5]-4:C[5]-3:S-4:	C[5]-3:	C[5](N[5]C[5,5])(N[5]C[5]S)(S)	N[5](C[5]C[5,5]C[6a]H)(C[5]N[5]S)(SC[6a]OO)	S(C[5]N[5]2)	C[5](N[5]C[5,5])(N[5]C[5]S)(S){1|H<1>,3|C<3>}	N[5](C[5]C[5,5]C[6a]H)(C[5]N[5]S)(SC[6a]OO){4|C<3>}	S(C[5]N[5]2)	127.0250	0.000	1	127.0250	0.000	1	127.0250	0.000	1	127.0250	0.000	1	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	3:2:1:	3:	N[5]-3:O[5]-2:S-1:	C[5]-3:N[5]-2:H-1:	C[5]-3:	C[5](N[5]N[5]H)(O[5]C[5])(S)	N[5](C[5]O[5]S)(N[5]C[5])(H)	S(C[5]N[5]O[5])	C[5](N[5]N[5]H)(O[5]C[5])(S){1|C<3>}	N[5](C[5]O[5]S)(N[5]C[5])(H){1|C<3>}	S(C[5]N[5]O[5])	131.3463	0.529	6	131.5698	0.315	26	131.5698	0.315	26	130.2306	4.820	37	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	3:2:1:	3:	N[5]-3:O[5]-2:S-1:	C[5]-3:N[5]-2:H-1:	C[5]-3:	C[5](N[5]N[5]H)(O[5]C[5])(S)	N[5](C[5]O[5]S)(N[5]C[5])(H)	S(C[5]N[5]O[5])	C[5](N[5]N[5]H)(O[5]C[5])(S){1|C<4>}	N[5](C[5]O[5]S)(N[5]C[5])(H){1|C<4>}	S(C[5]N[5]O[5])	131.6369	0.565	20	131.5698	0.315	26	131.5698	0.315	26	130.2306	4.820	37	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	3:2:1:	3:	N[5]-3:S[5]-2:S-1:	C[5]-3:N[5]-2:H-1:	C[5]-3:	C[5](N[5]N[5]H)(S[5]C[5])(S)	N[5](C[5]S[5]S)(N[5]C[5])(H)	S(C[5]N[5]S[5])	C[5](N[5]N[5]H)(S[5]C[5])(S){1|C<3>}	N[5](C[5]S[5]S)(N[5]C[5])(H){1|C<3>}	S(C[5]N[5]S[5])	127.1990	0.000	1	127.0654	0.881	11	127.0654	0.881	11	130.2306	4.820	37	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	3:2:1:	3:	N[5]-3:S[5]-2:S-1:	C[5]-3:N[5]-2:H-1:	C[5]-3:	C[5](N[5]N[5]H)(S[5]C[5])(S)	N[5](C[5]S[5]S)(N[5]C[5])(H)	S(C[5]N[5]S[5])	C[5](N[5]N[5]H)(S[5]C[5])(S){1|C<4>}	N[5](C[5]S[5]S)(N[5]C[5])(H){1|C<4>}	S(C[5]N[5]S[5])	126.1310	0.000	1	127.0654	0.881	11	127.0654	0.881	11	130.2306	4.820	37	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	3:2:1:	3:	N[5]-3:S[5]-2:S-1:	C[5]-3:N[5]-2:H-1:	C[5]-3:	C[5](N[5]N[5]H)(S[5]C[5])(S)	N[5](C[5]S[5]S)(N[5]C[5])(H)	S(C[5]N[5]S[5])	C[5](N[5]N[5]H)(S[5]C[5])(S){1|H<1>}	N[5](C[5]S[5]S)(N[5]C[5])(H){1|H<1>}	S(C[5]N[5]S[5])	125.1990	0.000	1	127.0654	0.881	11	127.0654	0.881	11	130.2306	4.820	37	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	3:2:1:	3:	N[5]-3:S[5]-2:S-1:	C[5]-3:N[5]-2:H-1:	C[5]-3:	C[5](N[5]N[5]H)(S[5]C[5])(S)	N[5](C[5]S[5]S)(N[5]C[5])(H)	S(C[5]N[5]S[5])	C[5](N[5]N[5]H)(S[5]C[5])(S){1|N<2>}	N[5](C[5]S[5]S)(N[5]C[5])(H){1|N<2>}	S(C[5]N[5]S[5])	127.1557	0.253	4	127.0654	0.881	11	127.0654	0.881	11	130.2306	4.820	37	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	3:2:1:	3:	N[5]-3:S[5]-2:S-1:	C[5]-3:N[5]-2:H-1:	C[5]-3:	C[5](N[5]N[5]H)(S[5]C[5])(S)	N[5](C[5]S[5]S)(N[5]C[5])(H)	S(C[5]N[5]S[5])	C[5](N[5]N[5]H)(S[5]C[5])(S){1|N<3>}	N[5](C[5]S[5]S)(N[5]C[5])(H){1|N<3>}	S(C[5]N[5]S[5])	127.1580	0.632	2	127.0654	0.881	11	127.0654	0.881	11	130.2306	4.820	37	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	3:2:1:	3:	N[5]-3:S[5]-2:S-1:	C[5]-3:N[5]-2:H-1:	C[5]-3:	C[5](N[5]N[5]H)(S[5]C[5])(S)	N[5](C[5]S[5]S)(N[5]C[5])(H)	S(C[5]N[5]S[5])	C[5](N[5]N[5]H)(S[5]C[5])(S){1|S<2>}	N[5](C[5]S[5]S)(N[5]C[5])(H){1|S<2>}	S(C[5]N[5]S[5])	128.1255	1.244	2	127.0654	0.881	11	127.0654	0.881	11	130.2306	4.820	37	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	3:2:3:	3:	N[5]-3:S[5]-2:S-1:	C[5]-3:N[5]-2:C-3:	C[5]-3:	C[5](N[5]N[5]C)(S[5]C[5])(S)	N[5](C[5]S[5]S)(N[5]C[5])(CCO)	S(C[5]N[5]S[5])	C[5](N[5]N[5]C)(S[5]C[5])(S){1|C<4>}	N[5](C[5]S[5]S)(N[5]C[5])(CCO){1|C<4>}	S(C[5]N[5]S[5])	130.6355	0.009	2	130.6355	0.000	2	130.6355	0.000	2	130.6355	0.000	2	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	3:2:4:	3:	N[5]-3:O[5]-2:S-1:	C[5]-3:N[5]-2:C-4:	C[5]-3:	C[5](N[5]N[5]C)(O[5]C[5])(S)	N[5](C[5]O[5]S)(N[5]C[5])(CHHN)	S(C[5]N[5]O[5])	C[5](N[5]N[5]C)(O[5]C[5])(S){1|C<4>}	N[5](C[5]O[5]S)(N[5]C[5])(CHHN){1|C<4>}	S(C[5]N[5]O[5])	130.7570	0.034	2	130.7570	0.001	2	130.9828	0.165	6	129.2049	2.409	15	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	3:2:4:	3:	N[5]-3:O[5]-2:S-1:	C[5]-3:N[5]-2:C-4:	C[5]-3:	C[5](N[5]N[5]C)(O[5]C[5])(S)	N[5](C[5]O[5]S)(N[5]C[5])(CN[6]HH)	S(C[5]N[5]O[5])	C[5](N[5]N[5]C)(O[5]C[5])(S){1|C<3>}	N[5](C[5]O[5]S)(N[5]C[5])(CN[6]HH){1|C<3>}	S(C[5]N[5]O[5])	130.8480	0.000	1	131.0958	0.224	4	130.9828	0.165	6	129.2049	2.409	15	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	3:2:4:	3:	N[5]-3:O[5]-2:S-1:	C[5]-3:N[5]-2:C-4:	C[5]-3:	C[5](N[5]N[5]C)(O[5]C[5])(S)	N[5](C[5]O[5]S)(N[5]C[5])(CN[6]HH)	S(C[5]N[5]O[5])	C[5](N[5]N[5]C)(O[5]C[5])(S){1|C<4>}	N[5](C[5]O[5]S)(N[5]C[5])(CN[6]HH){1|C<4>}	S(C[5]N[5]O[5])	131.1783	0.543	3	131.0958	0.224	4	130.9828	0.165	6	129.2049	2.409	15	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	3:2:4:	3:	N[5]-3:S[5]-2:S-1:	C[5]-3:N[5]-2:B-4:	C[5]-3:	C[5](N[5]N[5]B)(S[5]C[5])(S)	N[5](C[5]S[5]S)(N[5]C[5])(BN[5]2H)	S(C[5]N[5]S[5])	C[5](N[5]N[5]B)(S[5]C[5])(S){1|C<4>}	N[5](C[5]S[5]S)(N[5]C[5])(BN[5]2H){1|C<4>}	S(C[5]N[5]S[5])	127.9470	0.591	4	128.0150	0.204	7	128.0150	0.204	7	129.2049	2.409	15	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	3:2:4:	3:	N[5]-3:S[5]-2:S-1:	C[5]-3:N[5]-2:B-4:	C[5]-3:	C[5](N[5]N[5]B)(S[5]C[5])(S)	N[5](C[5]S[5]S)(N[5]C[5])(BN[5]2H)	S(C[5]N[5]S[5])	C[5](N[5]N[5]B)(S[5]C[5])(S){1|H<1>}	N[5](C[5]S[5]S)(N[5]C[5])(BN[5]2H){1|H<1>}	S(C[5]N[5]S[5])	128.1057	0.257	3	128.0150	0.204	7	128.0150	0.204	7	129.2049	2.409	15	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	3:2:4:	3:	N[5]-3:S[5]-2:S-1:	C[5]-3:N[5]-2:C-4:	C[5]-3:	C[5](N[5]N[5]C)(S[5]C[5])(S)	N[5](C[5]S[5]S)(N[5]C[5])(CH3)	S(C[5]N[5]S[5])	C[5](N[5]N[5]C)(S[5]C[5])(S){1|S<2>}	N[5](C[5]S[5]S)(N[5]C[5])(CH3){1|S<2>}	S(C[5]N[5]S[5])	128.0360	0.259	2	128.0360	0.067	2	128.0360	0.067	2	129.2049	2.409	15	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	3:3:1:	3:	N[5]-3:N[5]-2:S-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:	C[5](N[5]C[5]H)(N[5]C[5])(S)	N[5](C[5]C[5]O)(C[5]N[5]S)(H)	S(C[5]N[5]2)	C[5](N[5]C[5]H)(N[5]C[5])(S){1|C<3>,1|O<1>}	N[5](C[5]C[5]O)(C[5]N[5]S)(H){1|C<3>}	S(C[5]N[5]2)	125.0010	0.000	1	124.6340	0.269	2	124.6340	0.269	2	127.9335	5.252	17	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	3:3:1:	3:	N[5]-3:N[5]-2:S-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:	C[5](N[5]C[5]H)(N[5]C[5])(S)	N[5](C[5]C[5]O)(C[5]N[5]S)(H)	S(C[5]N[5]2)	C[5](N[5]C[5]H)(N[5]C[5])(S){1|O<1>,2|C<4>}	N[5](C[5]C[5]O)(C[5]N[5]S)(H){2|C<4>}	S(C[5]N[5]2)	124.2670	0.000	1	124.6340	0.269	2	124.6340	0.269	2	127.9335	5.252	17	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	3:3:1:	3:	N[5]-3:O[5]-2:S-1:	C[5,6a]-3:C[5]-3:H-1:	C[5]-3:	C[5](N[5]C[5,6a]H)(O[5]C[5,6a])(S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]S)(H)	S(C[5]N[5]O[5])	C[5](N[5]C[5,6a]H)(O[5]C[5,6a])(S){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]S)(H){1|H<1>,2|C<3>}	S(C[5]N[5]O[5])	130.0513	0.215	3	130.0513	0.046	3	130.0513	0.046	3	127.9335	5.252	17	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	3:3:1:	3:	N[5]-3:O[5]-2:S-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:	C[5](N[5]C[5]H)(O[5]C[5])(S)	N[5](C[5]C[5]C)(C[5]O[5]S)(H)	S(C[5]N[5]O[5])	C[5](N[5]C[5]H)(O[5]C[5])(S){2|C<4>}	N[5](C[5]C[5]C)(C[5]O[5]S)(H){1|C<4>}	S(C[5]N[5]O[5])	131.6435	0.753	2	131.6435	0.567	2	131.6435	0.567	2	127.9335	5.252	17	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	3:3:1:	3:	N[5]-3:S[5]-2:S-1:	C[5,6a]-3:C[5]-3:H-1:	C[5]-3:	C[5](N[5]C[5,6a]H)(S[5]C[5,6a])(S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(H)	S(C[5]N[5]S[5])	C[5](N[5]C[5,6a]H)(S[5]C[5,6a])(S){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(H){1|H<1>,2|C<3>}	S(C[5]N[5]S[5])	127.4812	1.079	4	127.4812	1.163	4	127.4812	1.163	4	127.9335	5.252	17	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	3:3:1:	3:	N[5]-3:S[5]-2:S-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:	C[5](N[5]C[5]H)(S[5]C[5])(S)	N[5](C[5]C[5]C)(C[5]S[5]S)(H)	S(C[5]N[5]S[5])	C[5](N[5]C[5]H)(S[5]C[5])(S){1|C<3>,1|C<4>}	N[5](C[5]C[5]C)(C[5]S[5]S)(H){1|C<3>}	S(C[5]N[5]S[5])	126.8690	0.000	1	127.2520	0.293	2	127.0393	2.249	6	127.9335	5.252	17	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	3:3:1:	3:	N[5]-3:S[5]-2:S-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:	C[5](N[5]C[5]H)(S[5]C[5])(S)	N[5](C[5]C[5]C)(C[5]S[5]S)(H)	S(C[5]N[5]S[5])	C[5](N[5]C[5]H)(S[5]C[5])(S){2|C<4>}	N[5](C[5]C[5]C)(C[5]S[5]S)(H){1|C<4>}	S(C[5]N[5]S[5])	127.6350	0.000	1	127.2520	0.293	2	127.0393	2.249	6	127.9335	5.252	17	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	3:3:1:	3:	N[5]-3:S[5]-2:S-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:	C[5](N[5]C[5]H)(S[5]C[5])(S)	N[5](C[5]C[5]O)(C[5]S[5]S)(H)	S(C[5]N[5]S[5])	C[5](N[5]C[5]H)(S[5]C[5])(S){1|O<1>,2|H<1>}	N[5](C[5]C[5]O)(C[5]S[5]S)(H){2|H<1>}	S(C[5]N[5]S[5])	124.4940	0.000	1	124.4940	0.000	1	127.0393	2.249	6	127.9335	5.252	17	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	3:3:1:	3:	N[5]-3:S[5]-2:S-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:	C[5](N[5]C[5]H)(S[5]C[5])(S)	N[5](C[5]C[6a]C[5])(C[5]S[5]S)(H)	S(C[5]N[5]S[5])	C[5](N[5]C[5]H)(S[5]C[5])(S){1|C<3>,1|H<1>}	N[5](C[5]C[6a]C[5])(C[5]S[5]S)(H){1|H<1>,2|C<3>}	S(C[5]N[5]S[5])	127.7460	1.201	3	127.7460	1.443	3	127.0393	2.249	6	127.9335	5.252	17	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	3:3:2:	3:	N[5]-3:S[5]-2:S-1:	C[5]-3:C[5]-3:N-2:	C[5]-3:	C[5](N[5]C[5]N)(S[5]C[5])(S)	N[5](C[5]C[5]O)(C[5]S[5]S)(NC)	S(C[5]N[5]S[5])	C[5](N[5]C[5]N)(S[5]C[5])(S){1|O<1>,2|H<1>}	N[5](C[5]C[5]O)(C[5]S[5]S)(NC){2|H<1>}	S(C[5]N[5]S[5])	125.6893	0.597	3	125.6893	0.356	3	125.6893	0.356	3	127.5571	1.984	14	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	3:3:2:	3:	N[5]-3:S[5]-2:S-1:	C[5]-3:C[5]-3:O-2:	C[5]-3:	C[5](N[5]C[5]O)(S[5]C[5])(S)	N[5](C[5]C[5]C)(C[5]S[5]S)(OC)	S(C[5]N[5]S[5])	C[5](N[5]C[5]O)(S[5]C[5])(S){1|C<3>,1|C<4>}	N[5](C[5]C[5]C)(C[5]S[5]S)(OC){1|C<3>}	S(C[5]N[5]S[5])	126.8000	0.000	1	127.3605	0.628	2	128.1420	1.100	8	127.5571	1.984	14	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	3:3:2:	3:	N[5]-3:S[5]-2:S-1:	C[5]-3:C[5]-3:O-2:	C[5]-3:	C[5](N[5]C[5]O)(S[5]C[5])(S)	N[5](C[5]C[5]C)(C[5]S[5]S)(OC)	S(C[5]N[5]S[5])	C[5](N[5]C[5]O)(S[5]C[5])(S){1|C<4>,1|H<1>}	N[5](C[5]C[5]C)(C[5]S[5]S)(OC){1|H<1>}	S(C[5]N[5]S[5])	127.9210	0.000	1	127.3605	0.628	2	128.1420	1.100	8	127.5571	1.984	14	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	3:3:2:	3:	N[5]-3:S[5]-2:S-1:	C[5]-3:C[5]-3:O-2:	C[5]-3:	C[5](N[5]C[5]O)(S[5]C[5])(S)	N[5](C[5]C[5]C)(C[5]S[5]S)(OC[6])	S(C[5]N[5]S[5])	C[5](N[5]C[5]O)(S[5]C[5])(S){1|C<4>,1|H<1>}	N[5](C[5]C[5]C)(C[5]S[5]S)(OC[6]){1|H<1>}	S(C[5]N[5]S[5])	126.9800	0.000	1	126.9800	0.000	1	128.1420	1.100	8	127.5571	1.984	14	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	3:3:2:	3:	N[5]-3:S[5]-2:S-1:	C[5]-3:C[5]-3:O-2:	C[5]-3:	C[5](N[5]C[5]O)(S[5]C[5])(S)	N[5](C[5]C[5]C)(C[5]S[5]S)(OH)	S(C[5]N[5]S[5])	C[5](N[5]C[5]O)(S[5]C[5])(S){2|C<4>}	N[5](C[5]C[5]C)(C[5]S[5]S)(OH){1|C<4>}	S(C[5]N[5]S[5])	128.2040	0.000	1	128.2040	0.000	1	128.1420	1.100	8	127.5571	1.984	14	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	3:3:2:	3:	N[5]-3:S[5]-2:S-1:	C[5]-3:C[5]-3:O-2:	C[5]-3:	C[5](N[5]C[5]O)(S[5]C[5])(S)	N[5](C[5]C[6a]C[5])(C[5]S[5]S)(OC)	S(C[5]N[5]S[5])	C[5](N[5]C[5]O)(S[5]C[5])(S){1|C<3>,1|H<1>}	N[5](C[5]C[6a]C[5])(C[5]S[5]S)(OC){1|H<1>,2|C<3>}	S(C[5]N[5]S[5])	128.8077	0.952	4	128.8077	0.907	4	128.1420	1.100	8	127.5571	1.984	14	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	3:3:2:	3:	N[5]-3:S[5]-2:S-1:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:	C[5](N[5]C[6a]N[5])(S[5]C[5])(S)	N[5](C[6a]C[6a]2)(C[5]S[5]S)(N[5]C[5])	S(C[5]N[5]S[5])	C[5](N[5]C[6a]N[5])(S[5]C[5])(S){1|S<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]S[5]S)(N[5]C[5]){1|S<1>,2|C<3>,2|H<1>}	S(C[5]N[5]S[5])	128.8650	0.000	1	128.6630	0.082	2	128.6630	0.082	2	127.5571	1.984	14	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	3:3:2:	3:	N[5]-3:S[5]-2:S-1:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:	C[5](N[5]C[6a]N[5])(S[5]C[5])(S)	N[5](C[6a]C[6a]2)(C[5]S[5]S)(N[5]C[5])	S(C[5]N[5]S[5])	C[5](N[5]C[6a]N[5])(S[5]C[5])(S){1|S<2>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]S[5]S)(N[5]C[5]){1|S<2>,2|C<3>,2|H<1>}	S(C[5]N[5]S[5])	128.4610	0.000	1	128.6630	0.082	2	128.6630	0.082	2	127.5571	1.984	14	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	3:3:2:	3:	N[5]-3:Se[5]-2:S-1:	C[5,6a]-3:C[5]-3:C-2:	C[5]-3:	C[5](N[5]C[5,6a]C)(Se[5]C[5,6a])(S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]S)(CC)	S(C[5]Se[5]N[5])	C[5](N[5]C[5,6a]C)(Se[5]C[5,6a])(S){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]S)(CC){1|H<1>,2|C<3>}	S(C[5]Se[5]N[5])	126.2700	0.000	1	126.2700	0.000	1	126.2700	0.000	1	127.5571	1.984	14	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	3:3:3:	3:	N[5]-3:O[5]-2:S-1:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](N[5]C[6a]C[5])(O[5]N[5])(S)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]O[5]S)	S(C[5]N[5]O[5])	C[5](N[5]C[6a]C[5])(O[5]N[5])(S){3|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]O[5]S){2|H<1>,4|C<3>}	S(C[5]N[5]O[5])	131.2750	0.000	1	131.2750	0.000	1	131.2750	0.000	1	127.0344	1.606	28	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	3:3:3:	3:	N[5]-3:O[5]-2:S-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:	C[5](N[5]C[6a]C[5])(O[5]C[5])(S)	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]O[5]S)	S(C[5]N[5]O[5])	C[5](N[5]C[6a]C[5])(O[5]C[5])(S){2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]O[5]S){2|C<3>,4|H<1>}	S(C[5]N[5]O[5])	128.5240	0.000	1	128.5240	0.000	1	128.5240	0.000	1	127.0344	1.606	28	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	3:3:3:	3:	N[5]-3:S[5]-2:S-1:	C[5,5]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](N[5]C[5,5]C[6a])(S[5]C[5,5])(S)	N[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]S[5]S)	S(C[5]N[5]S[5])	C[5](N[5]C[5,5]C[6a])(S[5]C[5,5])(S){2|C<3>,2|C<4>}	N[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]S[5]S){1|Cl<1>,2|C<3>,2|C<4>,3|H<1>}	S(C[5]N[5]S[5])	127.9840	0.000	1	127.9840	0.000	1	127.9840	0.000	1	127.0344	1.606	28	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	3:3:3:	3:	N[5]-3:S[5]-2:S-1:	C[5,5a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](N[5]C[5,5a]C[6a])(S[5]C[5,5a])(S)	N[5](C[5,5a]C[5,5a]S[5a])(C[6a]C[6a]2)(C[5]S[5]S)	S(C[5]N[5]S[5])	C[5](N[5]C[5,5a]C[6a])(S[5]C[5,5a])(S){2|C<3>,2|S<2>}	N[5](C[5,5a]C[5,5a]S[5a])(C[6a]C[6a]2)(C[5]S[5]S){1|H<1>,1|I<1>,1|S<2>,3|C<3>}	S(C[5]N[5]S[5])	127.6110	0.000	1	128.0623	1.218	3	128.0623	1.218	3	127.0344	1.606	28	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	3:3:3:	3:	N[5]-3:S[5]-2:S-1:	C[5,5a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](N[5]C[5,5a]C[6a])(S[5]C[5,5a])(S)	N[5](C[5,5a]C[5,5a]S[5a])(C[6a]C[6a]2)(C[5]S[5]S)	S(C[5]N[5]S[5])	C[5](N[5]C[5,5a]C[6a])(S[5]C[5,5a])(S){2|C<3>,2|S<2>}	N[5](C[5,5a]C[5,5a]S[5a])(C[6a]C[6a]2)(C[5]S[5]S){1|S<2>,2|H<1>,3|C<3>}	S(C[5]N[5]S[5])	128.2880	1.459	2	128.0623	1.218	3	128.0623	1.218	3	127.0344	1.606	28	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	3:3:3:	3:	N[5]-3:S[5]-2:S-1:	C[5,6a]-3:B[6]-3:C[5]-3:	C[5]-3:	C[5](N[5]C[5,6a]B[6])(S[5]C[5,6a])(S)	N[5](C[5,6a]C[5,6a]C[6a])(B[6]N[5a,6]N[5,6])(C[5]S[5]S)	S(C[5]N[5]S[5])	C[5](N[5]C[5,6a]B[6])(S[5]C[5,6a])(S){2|C<3>,2|N<3>}	N[5](C[5,6a]C[5,6a]C[6a])(B[6]N[5a,6]N[5,6])(C[5]S[5]S){1|H<1>,6|C<3>}	S(C[5]N[5]S[5])	127.0900	0.242	2	127.0900	0.058	2	127.0900	0.058	2	127.0344	1.606	28	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	3:3:3:	3:	N[5]-3:S[5]-2:S-1:	C[5,6a]-3:C[5]-3:C-3:	C[5]-3:	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(CNS)	S(C[5]N[5]S[5])	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(S){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(CNS){1|H<1>,2|C<3>}	S(C[5]N[5]S[5])	126.2430	0.000	1	126.2430	0.000	1	126.2430	0.000	1	127.0344	1.606	28	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	3:3:3:	3:	N[5]-3:S[5]-2:S-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](N[5]C[5,6a]C[6a])(S[5]C[5,6a])(S)	N[5](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]2)(C[5]S[5]S)	S(C[5]N[5]S[5])	C[5](N[5]C[5,6a]C[6a])(S[5]C[5,6a])(S){1|N<2>,3|C<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]2)(C[5]S[5]S){2|H<1>,4|C<3>}	S(C[5]N[5]S[5])	126.9165	0.069	4	126.9165	0.005	4	126.9165	0.005	4	127.0344	1.606	28	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	3:3:3:	3:	N[5]-3:S[5]-2:S-1:	C[5]-3:C[5]-3:N-3:	C[5]-3:	C[5](N[5]C[5]N)(S[5]C[5])(S)	N[5](C[5]C[5]O)(C[5]S[5]S)(NHH)	S(C[5]N[5]S[5])	C[5](N[5]C[5]N)(S[5]C[5])(S){1|O<1>,2|H<1>}	N[5](C[5]C[5]O)(C[5]S[5]S)(NHH){2|H<1>}	S(C[5]N[5]S[5])	125.0430	0.076	2	125.0430	0.006	2	125.0430	0.006	2	127.0344	1.606	28	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	3:3:3:	3:	N[5]-3:S[5]-2:S-1:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](N[5]C[6a]C[5])(S[5]C[5,5])(S)	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(C[5]S[5]S)	S(C[5]N[5]S[5])	C[5](N[5]C[6a]C[5])(S[5]C[5,5])(S){1|O<1>,2|C<3>,2|C<4>}	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(C[5]S[5]S){2|C<3>,2|C<4>,2|H<1>}	S(C[5]N[5]S[5])	125.9390	0.000	1	125.9390	0.000	1	126.0610	0.030	2	127.0344	1.606	28	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	3:3:3:	3:	N[5]-3:S[5]-2:S-1:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](N[5]C[6a]C[5])(S[5]C[5,6])(S)	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(C[5]S[5]S)	S(C[5]N[5]S[5])	C[5](N[5]C[6a]C[5])(S[5]C[5,6])(S){1|O<1>,2|C<3>,2|C<4>}	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(C[5]S[5]S){2|C<3>,2|C<4>,2|H<1>}	S(C[5]N[5]S[5])	126.1830	0.000	1	126.1830	0.000	1	126.0610	0.030	2	127.0344	1.606	28	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	3:3:3:	3:	N[5]-3:S[5]-2:S-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:	C[5](N[5]C[6a]C[5])(S[5]C[5])(S)	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]S[5]S)	S(C[5]N[5]S[5])	C[5](N[5]C[6a]C[5])(S[5]C[5])(S){2|C<3>,2|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]S[5]S){1|C<4>,2|C<3>,2|H<1>}	S(C[5]N[5]S[5])	127.6810	0.000	1	127.6810	0.000	1	126.8241	0.585	10	127.0344	1.606	28	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	3:3:3:	3:	N[5]-3:S[5]-2:S-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:	C[5](N[5]C[6a]C[5])(S[5]C[5])(S)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]S[5]S)	S(C[5]N[5]S[5])	C[5](N[5]C[6a]C[5])(S[5]C[5])(S){2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]S[5]S){2|C<3>,3|H<1>}	S(C[5]N[5]S[5])	127.7740	0.000	1	127.7740	0.000	1	126.8241	0.585	10	127.0344	1.606	28	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	3:3:3:	3:	N[5]-3:S[5]-2:S-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:	C[5](N[5]C[6a]C[5])(S[5]C[5])(S)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]S[5]S)	S(C[5]N[5]S[5])	C[5](N[5]C[6a]C[5])(S[5]C[5])(S){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]S[5]S){1|C<4>,2|C<3>,3|H<1>}	S(C[5]N[5]S[5])	126.0030	0.000	1	126.4491	0.330	7	126.8241	0.585	10	127.0344	1.606	28	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	3:3:3:	3:	N[5]-3:S[5]-2:S-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:	C[5](N[5]C[6a]C[5])(S[5]C[5])(S)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]S[5]S)	S(C[5]N[5]S[5])	C[5](N[5]C[6a]C[5])(S[5]C[5])(S){1|O<1>,2|C<3>,2|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]S[5]S){2|C<3>,2|C<4>,2|H<1>}	S(C[5]N[5]S[5])	126.3170	0.787	3	126.4491	0.330	7	126.8241	0.585	10	127.0344	1.606	28	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	3:3:3:	3:	N[5]-3:S[5]-2:S-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:	C[5](N[5]C[6a]C[5])(S[5]C[5])(S)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]S[5]S)	S(C[5]N[5]S[5])	C[5](N[5]C[6a]C[5])(S[5]C[5])(S){1|O<1>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]S[5]S){1|C<4>,2|C<3>,3|H<1>}	S(C[5]N[5]S[5])	126.3790	0.000	1	126.4491	0.330	7	126.8241	0.585	10	127.0344	1.606	28	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	3:3:3:	3:	N[5]-3:S[5]-2:S-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:	C[5](N[5]C[6a]C[5])(S[5]C[5])(S)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]S[5]S)	S(C[5]N[5]S[5])	C[5](N[5]C[6a]C[5])(S[5]C[5])(S){1|O<1>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]S[5]S){2|C<3>,4|H<1>}	S(C[5]N[5]S[5])	126.9055	0.254	2	126.4491	0.330	7	126.8241	0.585	10	127.0344	1.606	28	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	3:3:3:	3:	N[5]-3:S[5]-2:S-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:	C[5](N[5]C[6a]C[5])(S[5]C[5])(S)	N[5](C[6a]C[6a]2)(C[5]C[5]S)(C[5]S[5]S)	S(C[5]N[5]S[5])	C[5](N[5]C[6a]C[5])(S[5]C[5])(S){1|S<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]S)(C[5]S[5]S){2|H<1>,3|C<3>}	S(C[5]N[5]S[5])	127.6420	0.000	1	127.6420	0.000	1	126.8241	0.585	10	127.0344	1.606	28	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	3:3:3:	3:	N[5]-3:Se[5]-2:S-1:	C[5,6a]-3:C[5]-3:C-3:	C[5]-3:	C[5](N[5]C[5,6a]C)(Se[5]C[5,6a])(S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]S)(CCH)	S(C[5]Se[5]N[5])	C[5](N[5]C[5,6a]C)(Se[5]C[5,6a])(S){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]S)(CCH){1|H<1>,2|C<3>}	S(C[5]Se[5]N[5])	126.4560	0.000	1	126.4560	0.000	1	126.4560	0.000	1	127.0344	1.606	28	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	3:3:4:	3:	N[5]-3:O[5]-2:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5]C)(O[5]C[5])(S)	N[5](C[5]C[5]O)(C[5]O[5]S)(CCHH)	S(C[5]N[5]O[5])	C[5](N[5]C[5]C)(O[5]C[5])(S){1|O<1>,2|H<1>}	N[5](C[5]C[5]O)(C[5]O[5]S)(CCHH){2|H<1>}	S(C[5]N[5]O[5])	132.0580	0.000	1	132.0580	0.000	1	131.3430	1.022	2	127.2888	1.519	72	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	3:3:4:	3:	N[5]-3:O[5]-2:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5]C)(O[5]N[5])(S)	N[5](C[5]C[6a]N[5])(C[5]O[5]S)(CCHH)	S(C[5]N[5]O[5])	C[5](N[5]C[5]C)(O[5]N[5])(S){1|C<3>}	N[5](C[5]C[6a]N[5])(C[5]O[5]S)(CCHH){1|C<3>,1|N<2>}	S(C[5]N[5]O[5])	130.6280	0.000	1	130.6280	0.000	1	131.3430	1.022	2	127.2888	1.519	72	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	3:3:4:	3:	N[5]-3:S[5]-2:S-1:	C[5,5]-3:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5,5]C)(S[5]C[5,5])(S)	N[5](C[5,5]C[5,5]Se[5])(C[5]S[5]S)(CCHH)	S(C[5]N[5]S[5])	C[5](N[5]C[5,5]C)(S[5]C[5,5])(S){1|Se<2>,1|C<3>}	N[5](C[5,5]C[5,5]Se[5])(C[5]S[5]S)(CCHH){2|C<3>}	S(C[5]N[5]S[5])	127.3295	0.501	2	127.3295	0.251	2	127.3295	0.251	2	127.2888	1.519	72	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	3:3:4:	3:	N[5]-3:S[5]-2:S-1:	C[5,5a]-3:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5,5a]C)(S[5]C[5,5a])(S)	N[5](C[5,5a]C[5,5a]S[5a])(C[5]S[5]S)(CCHH)	S(C[5]N[5]S[5])	C[5](N[5]C[5,5a]C)(S[5]C[5,5a])(S){2|S<2>}	N[5](C[5,5a]C[5,5a]S[5a])(C[5]S[5]S)(CCHH){1|C<3>,1|S<2>}	S(C[5]N[5]S[5])	126.2190	0.000	1	126.2190	0.000	1	126.6887	0.167	3	127.2888	1.519	72	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	3:3:4:	3:	N[5]-3:S[5]-2:S-1:	C[5,5a]-3:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5,5a]C)(S[5]C[5,5a])(S)	N[5](C[5,5a]C[5,5a]S[5a])(C[5]S[5]S)(CC[6a]CH)	S(C[5]N[5]S[5])	C[5](N[5]C[5,5a]C)(S[5]C[5,5a])(S){2|S<2>}	N[5](C[5,5a]C[5,5a]S[5a])(C[5]S[5]S)(CC[6a]CH){1|C<3>,1|S<2>}	S(C[5]N[5]S[5])	126.9235	0.049	2	126.9235	0.002	2	126.6887	0.167	3	127.2888	1.519	72	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	3:3:4:	3:	N[5]-3:S[5]-2:S-1:	C[5,6,6]-3:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5,6,6]C)(S[5]C[5,6,6])(S)	N[5](C[5,6,6]C[5,6,6]P[3x6])(C[5]S[5]S)(CCHH)	S(C[5]N[5]S[5])	C[5](N[5]C[5,6,6]C)(S[5]C[5,6,6])(S){2|P<3>}	N[5](C[5,6,6]C[5,6,6]P[3x6])(C[5]S[5]S)(CCHH){1|C<3>,1|C<4>,1|P<3>}	S(C[5]N[5]S[5])	127.1420	1.790	4	127.1443	1.937	6	127.1443	1.937	6	127.2888	1.519	72	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	3:3:4:	3:	N[5]-3:S[5]-2:S-1:	C[5,6,6]-3:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5,6,6]C)(S[5]C[5,6,6])(S)	N[5](C[5,6,6]C[5,6,6]P[3x6])(C[5]S[5]S)(CCHH)	S(C[5]N[5]S[5])	C[5](N[5]C[5,6,6]C)(S[5]C[5,6,6])(S){2|P<3>}	N[5](C[5,6,6]C[5,6,6]P[3x6])(C[5]S[5]S)(CCHH){1|P<3>,2|C<3>}	S(C[5]N[5]S[5])	127.1490	0.277	2	127.1443	1.937	6	127.1443	1.937	6	127.2888	1.519	72	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	3:3:4:	3:	N[5]-3:S[5]-2:S-1:	C[5,6]-3:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5,6]C)(S[5]C[5,6])(S)	N[5](C[5,6]C[5,6]P[6])(C[5]S[5]S)(CCHH)	S(C[5]N[5]S[5])	C[5](N[5]C[5,6]C)(S[5]C[5,6])(S){2|P<2>}	N[5](C[5,6]C[5,6]P[6])(C[5]S[5]S)(CCHH){1|C<3>,1|P<2>}	S(C[5]N[5]S[5])	127.6990	0.000	1	127.3492	0.650	10	127.4427	0.603	12	127.2888	1.519	72	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	3:3:4:	3:	N[5]-3:S[5]-2:S-1:	C[5,6]-3:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5,6]C)(S[5]C[5,6])(S)	N[5](C[5,6]C[5,6]P[6])(C[5]S[5]S)(CCHH)	S(C[5]N[5]S[5])	C[5](N[5]C[5,6]C)(S[5]C[5,6])(S){2|P<3>}	N[5](C[5,6]C[5,6]P[6])(C[5]S[5]S)(CCHH){1|C<3>,1|N<3>,1|P<3>}	S(C[5]N[5]S[5])	127.8510	0.900	4	127.3492	0.650	10	127.4427	0.603	12	127.2888	1.519	72	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	3:3:4:	3:	N[5]-3:S[5]-2:S-1:	C[5,6]-3:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5,6]C)(S[5]C[5,6])(S)	N[5](C[5,6]C[5,6]P[6])(C[5]S[5]S)(CCHH)	S(C[5]N[5]S[5])	C[5](N[5]C[5,6]C)(S[5]C[5,6])(S){2|P<3>}	N[5](C[5,6]C[5,6]P[6])(C[5]S[5]S)(CCHH){1|C<3>,2|P<3>}	S(C[5]N[5]S[5])	126.9153	0.619	4	127.3492	0.650	10	127.4427	0.603	12	127.2888	1.519	72	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	3:3:4:	3:	N[5]-3:S[5]-2:S-1:	C[5,6]-3:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5,6]C)(S[5]C[5,6])(S)	N[5](C[5,6]C[5,6]P[6])(C[5]S[5]S)(CCHH)	S(C[5]N[5]S[5])	C[5](N[5]C[5,6]C)(S[5]C[5,6])(S){2|P<3>}	N[5](C[5,6]C[5,6]P[6])(C[5]S[5]S)(CCHH){1|Cl<1>,1|C<3>,1|P<3>}	S(C[5]N[5]S[5])	126.7280	0.000	1	127.3492	0.650	10	127.4427	0.603	12	127.2888	1.519	72	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	3:3:4:	3:	N[5]-3:S[5]-2:S-1:	C[5,6]-3:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5,6]C)(S[5]C[5,6])(S)	N[5](C[5,6]C[5,6]Se[6])(C[5]S[5]S)(CCHH)	S(C[5]N[5]S[5])	C[5](N[5]C[5,6]C)(S[5]C[5,6])(S){1|Se<2>,1|C<3>}	N[5](C[5,6]C[5,6]Se[6])(C[5]S[5]S)(CCHH){1|Se<2>,1|C<3>}	S(C[5]N[5]S[5])	127.9100	0.508	2	127.9100	0.258	2	127.4427	0.603	12	127.2888	1.519	72	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	3:3:4:	3:	N[5]-3:S[5]-2:S-1:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(CCHH)	S(C[5]N[5]S[5])	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(S){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(CCHH){1|H<1>,2|C<3>}	S(C[5]N[5]S[5])	127.2285	0.091	2	127.2285	0.008	2	126.1200	4.997	6	127.2888	1.519	72	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	3:3:4:	3:	N[5]-3:S[5]-2:S-1:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(CC[6a]CH)	S(C[5]N[5]S[5])	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(S){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(CC[6a]CH){1|H<1>,2|C<3>}	S(C[5]N[5]S[5])	127.5230	0.000	1	127.5230	0.000	1	126.1200	4.997	6	127.2888	1.519	72	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	3:3:4:	3:	N[5]-3:S[5]-2:S-1:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(CC[6a]HH)	S(C[5]N[5]S[5])	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(S){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(CC[6a]HH){1|H<1>,2|C<3>}	S(C[5]N[5]S[5])	128.0330	0.000	1	128.0330	0.000	1	126.1200	4.997	6	127.2888	1.519	72	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	3:3:4:	3:	N[5]-3:S[5]-2:S-1:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(CH3)	S(C[5]N[5]S[5])	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(S){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(CH3){1|H<1>,2|C<3>}	S(C[5]N[5]S[5])	123.3535	1.258	2	123.3535	1.582	2	126.1200	4.997	6	127.2888	1.519	72	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	3:3:4:	3:	N[5]-3:S[5]-2:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5]C)(S[5]C[5])(S)	N[5](C[5]C[4]C[5])(C[5]S[5]S)(CCHH)	S(C[5]N[5]S[5])	C[5](N[5]C[5]C)(S[5]C[5])(S){1|C<4>,1|H<1>}	N[5](C[5]C[4]C[5])(C[5]S[5]S)(CCHH){2|C<4>,2|H<1>}	S(C[5]N[5]S[5])	127.3200	0.000	1	127.3200	0.000	1	127.2802	0.560	41	127.2888	1.519	72	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	3:3:4:	3:	N[5]-3:S[5]-2:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5]C)(S[5]C[5])(S)	N[5](C[5]C[5]H)(C[5]S[5]S)(CCHH)	S(C[5]N[5]S[5])	C[5](N[5]C[5]C)(S[5]C[5])(S){1|H<1>,1|I<1>}	N[5](C[5]C[5]H)(C[5]S[5]S)(CCHH){1|I<1>}	S(C[5]N[5]S[5])	127.8950	0.700	2	127.8950	0.490	2	127.2802	0.560	41	127.2888	1.519	72	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	3:3:4:	3:	N[5]-3:S[5]-2:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5]C)(S[5]C[5])(S)	N[5](C[5]C[5]H)(C[5]S[5]S)(CH3)	S(C[5]N[5]S[5])	C[5](N[5]C[5]C)(S[5]C[5])(S){1|H<1>,1|P<3>}	N[5](C[5]C[5]H)(C[5]S[5]S)(CH3){1|P<3>}	S(C[5]N[5]S[5])	126.4610	0.000	1	126.8273	0.201	3	127.2802	0.560	41	127.2888	1.519	72	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	3:3:4:	3:	N[5]-3:S[5]-2:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5]C)(S[5]C[5])(S)	N[5](C[5]C[5]H)(C[5]S[5]S)(CH3)	S(C[5]N[5]S[5])	C[5](N[5]C[5]C)(S[5]C[5])(S){1|H<1>,1|P<4>}	N[5](C[5]C[5]H)(C[5]S[5]S)(CH3){1|P<4>}	S(C[5]N[5]S[5])	127.0105	0.449	2	126.8273	0.201	3	127.2802	0.560	41	127.2888	1.519	72	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	3:3:4:	3:	N[5]-3:S[5]-2:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5]C)(S[5]C[5])(S)	N[5](C[5]C[5]I)(C[5]S[5]S)(CCHH)	S(C[5]N[5]S[5])	C[5](N[5]C[5]C)(S[5]C[5])(S){2|I<1>}	N[5](C[5]C[5]I)(C[5]S[5]S)(CCHH){1|I<1>}	S(C[5]N[5]S[5])	127.3550	0.000	1	127.3550	0.000	1	127.2802	0.560	41	127.2888	1.519	72	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	3:3:4:	3:	N[5]-3:S[5]-2:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5]C)(S[5]C[5])(S)	N[5](C[5]C[5]O)(C[5]S[5]S)(CCHH)	S(C[5]N[5]S[5])	C[5](N[5]C[5]C)(S[5]C[5])(S){1|C<4>,1|H<1>,1|O<1>}	N[5](C[5]C[5]O)(C[5]S[5]S)(CCHH){1|C<4>,1|H<1>}	S(C[5]N[5]S[5])	126.2330	0.000	1	126.2330	0.000	1	127.2802	0.560	41	127.2888	1.519	72	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	3:3:4:	3:	N[5]-3:S[5]-2:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5]C)(S[5]C[5])(S)	N[5](C[5]C[5]O)(C[5]S[5]S)(CC[6a]HH)	S(C[5]N[5]S[5])	C[5](N[5]C[5]C)(S[5]C[5])(S){1|O<1>,2|H<1>}	N[5](C[5]C[5]O)(C[5]S[5]S)(CC[6a]HH){2|H<1>}	S(C[5]N[5]S[5])	126.2760	0.000	1	126.2760	0.000	1	127.2802	0.560	41	127.2888	1.519	72	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	3:3:4:	3:	N[5]-3:S[5]-2:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5]C)(S[5]C[5])(S)	N[5](C[5]C[5]S)(C[5]S[5]S)(CCHH)	S(C[5]N[5]S[5])	C[5](N[5]C[5]C)(S[5]C[5])(S){1|C<3>,1|S<1>}	N[5](C[5]C[5]S)(C[5]S[5]S)(CCHH){1|C<3>}	S(C[5]N[5]S[5])	127.1529	0.465	14	127.1969	0.274	21	127.2802	0.560	41	127.2888	1.519	72	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	3:3:4:	3:	N[5]-3:S[5]-2:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5]C)(S[5]C[5])(S)	N[5](C[5]C[5]S)(C[5]S[5]S)(CCHH)	S(C[5]N[5]S[5])	C[5](N[5]C[5]C)(S[5]C[5])(S){2|S<2>}	N[5](C[5]C[5]S)(C[5]S[5]S)(CCHH){1|S<2>}	S(C[5]N[5]S[5])	127.2847	0.656	7	127.1969	0.274	21	127.2802	0.560	41	127.2888	1.519	72	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	3:3:4:	3:	N[5]-3:S[5]-2:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5]C)(S[5]C[5])(S)	N[5](C[5]C[5]S)(C[5]S[5]S)(CC[6a]CH)	S(C[5]N[5]S[5])	C[5](N[5]C[5]C)(S[5]C[5])(S){2|S<2>}	N[5](C[5]C[5]S)(C[5]S[5]S)(CC[6a]CH){1|S<2>}	S(C[5]N[5]S[5])	129.0635	0.640	2	129.0635	0.410	2	127.2802	0.560	41	127.2888	1.519	72	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	3:3:4:	3:	N[5]-3:S[5]-2:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5]C)(S[5]C[5])(S)	N[5](C[5]C[5]S)(C[5]S[5]S)(CC[6a]HH)	S(C[5]N[5]S[5])	C[5](N[5]C[5]C)(S[5]C[5])(S){1|C<3>,1|S<1>}	N[5](C[5]C[5]S)(C[5]S[5]S)(CC[6a]HH){1|C<3>}	S(C[5]N[5]S[5])	127.8320	0.000	1	127.8320	0.000	1	127.2802	0.560	41	127.2888	1.519	72	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	3:3:4:	3:	N[5]-3:S[5]-2:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5]C)(S[5]C[5])(S)	N[5](C[5]C[5]S)(C[5]S[5]S)(CH3)	S(C[5]N[5]S[5])	C[5](N[5]C[5]C)(S[5]C[5])(S){1|C<3>,1|S<1>}	N[5](C[5]C[5]S)(C[5]S[5]S)(CH3){1|C<3>}	S(C[5]N[5]S[5])	127.2820	0.000	1	127.4227	0.133	3	127.2802	0.560	41	127.2888	1.519	72	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	3:3:4:	3:	N[5]-3:S[5]-2:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5]C)(S[5]C[5])(S)	N[5](C[5]C[5]S)(C[5]S[5]S)(CH3)	S(C[5]N[5]S[5])	C[5](N[5]C[5]C)(S[5]C[5])(S){2|S<2>}	N[5](C[5]C[5]S)(C[5]S[5]S)(CH3){1|S<2>}	S(C[5]N[5]S[5])	127.4930	0.486	2	127.4227	0.133	3	127.2802	0.560	41	127.2888	1.519	72	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	3:3:4:	3:	N[5]-3:S[5]-2:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5]C)(S[5]C[5])(S)	N[5](C[5]C[5]Se)(C[5]S[5]S)(CCHH)	S(C[5]N[5]S[5])	C[5](N[5]C[5]C)(S[5]C[5])(S){2|Se<2>}	N[5](C[5]C[5]Se)(C[5]S[5]S)(CCHH){1|Se<2>}	S(C[5]N[5]S[5])	126.6375	1.809	2	126.6375	3.274	2	127.2802	0.560	41	127.2888	1.519	72	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	3:3:4:	3:	N[5]-3:S[5]-2:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5]C)(S[5]C[5])(S)	N[5](C[5]C[5]Se)(C[5]S[5]S)(CH3)	S(C[5]N[5]S[5])	C[5](N[5]C[5]C)(S[5]C[5])(S){2|Se<2>}	N[5](C[5]C[5]Se)(C[5]S[5]S)(CH3){1|Se<2>}	S(C[5]N[5]S[5])	127.8285	0.005	2	127.8285	0.000	2	127.2802	0.560	41	127.2888	1.519	72	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	3:3:4:	3:	N[5]-3:S[5]-2:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5]C)(S[5]S[5])(S)	N[5](C[5]S[5]N)(C[5]S[5]S)(CCHH)	S(C[5]N[5]S[5])	C[5](N[5]C[5]C)(S[5]S[5])(S){1|N<3>}	N[5](C[5]S[5]N)(C[5]S[5]S)(CCHH)	S(C[5]N[5]S[5])	126.7390	0.000	1	126.7390	0.000	1	127.2802	0.560	41	127.2888	1.519	72	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	3:4:2:	3:	N[5]-3:S[5]-2:S-1:	C[5]-3:C-4:N[5]-2:	C[5]-3:	C[5](N[5]N[5]C)(S[5]C[5])(S)	N[5](C[5]S[5]S)(CC[6a]2H)(N[5]C[5])	S(C[5]N[5]S[5])	C[5](N[5]N[5]C)(S[5]C[5])(S){1|H<1>}	N[5](C[5]S[5]S)(CC[6a]2H)(N[5]C[5]){1|H<1>}	S(C[5]N[5]S[5])	127.3490	0.000	1	127.3490	0.000	1	127.3490	0.000	1	127.3490	0.000	1	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	3:4:3:	3:	N[5]-3:N[5]-2:S-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:	C[5](N[5]C[6a]C[5])(N[5]N[5])(S)	N[5](C[6a]C[6a,6a]C[6a])(C[5]N[5]CC)(C[5]N[5]S)	S(C[5]N[5]2)	C[5](N[5]C[6a]C[5])(N[5]N[5])(S){2|C<3>,2|C<4>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]N[5]CC)(C[5]N[5]S){1|H<1>,3|C<3>}	S(C[5]N[5]2)	132.0540	0.000	1	132.0540	0.000	1	131.2072	0.250	5	129.5015	4.036	10	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	3:4:3:	3:	N[5]-3:N[5]-2:S-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:	C[5](N[5]C[6a]C[5])(N[5]N[5])(S)	N[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]N[5]S)	S(C[5]N[5]2)	C[5](N[5]C[6a]C[5])(N[5]N[5])(S){2|C<3>,2|C<4>}	N[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]N[5]S){1|H<1>,1|O<2>,2|C<3>}	S(C[5]N[5]2)	130.7460	0.000	1	130.9955	0.035	4	131.2072	0.250	5	129.5015	4.036	10	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	3:4:3:	3:	N[5]-3:N[5]-2:S-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:	C[5](N[5]C[6a]C[5])(N[5]N[5])(S)	N[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]N[5]S)	S(C[5]N[5]2)	C[5](N[5]C[6a]C[5])(N[5]N[5])(S){2|C<3>,2|C<4>}	N[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]N[5]S){2|C<3>,2|H<1>}	S(C[5]N[5]2)	131.0787	0.102	3	130.9955	0.035	4	131.2072	0.250	5	129.5015	4.036	10	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	3:4:3:	3:	N[5]-3:S[5]-2:S-1:	C[4]-3:C[5]-4:C[5]-3:	C[5]-3:	C[5](N[5]C[4]C[5])(S[5]C[5])(S)	N[5](C[4]C[4]N[4])(C[5]C[5]CH)(C[5]S[5]S)	S(C[5]N[5]S[5])	C[5](N[5]C[4]C[5])(S[5]C[5])(S){1|N<2>,2|C<4>,3|H<1>}	N[5](C[4]C[4]N[4])(C[5]C[5]CH)(C[5]S[5]S){2|C<4>,3|H<1>}	S(C[5]N[5]S[5])	127.4080	0.000	1	127.4080	0.000	1	127.4080	0.000	1	129.5015	4.036	10	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	3:4:3:	3:	N[5]-3:S[5]-2:S-1:	C[5,6a]-3:B[6]-4:C[5]-3:	C[5]-3:	C[5](N[5]C[5,6a]B[6])(S[5]C[5,6a])(S)	N[5](C[5,6a]C[5,6a]C[6a])(B[6]N[5,6]2H)(C[5]S[5]S)	S(C[5]N[5]S[5])	C[5](N[5]C[5,6a]B[6])(S[5]C[5,6a])(S){1|H<1>,2|C<3>,2|N<3>}	N[5](C[5,6a]C[5,6a]C[6a])(B[6]N[5,6]2H)(C[5]S[5]S){1|H<1>,6|C<3>}	S(C[5]N[5]S[5])	128.4130	0.000	1	128.4130	0.000	1	128.4130	0.000	1	129.5015	4.036	10	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	3:4:3:	3:	N[5]-3:S[5]-2:S-1:	C[5]-3:C[5]-4:C[5]-3:	C[5]-3:	C[5](N[5]C[5]2)(S[5]C[5])(S)	N[5](C[5]N[5]S[5])(C[5]C[5]HH)(C[5]S[5]S)	S(C[5]N[5]S[5])	C[5](N[5]C[5]2)(S[5]C[5])(S){1|N<3>,1|S<2>,4|H<1>}	N[5](C[5]N[5]S[5])(C[5]C[5]HH)(C[5]S[5]S){2|C<4>,3|H<1>}	S(C[5]N[5]S[5])	127.3400	0.000	1	127.3400	0.000	1	127.3400	0.000	1	129.5015	4.036	10	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	3:4:3:	3:	N[5]-3:S[5]-2:S-1:	C[5]-3:C[6]-4:C[5]-3:	C[5]-3:	C[5](N[5]C[5]C[6])(S[5]C[5])(S)	N[5](C[5]C[4]C[5])(C[6]C[6]2H)(C[5]S[5]S)	S(C[5]N[5]S[5])	C[5](N[5]C[5]C[6])(S[5]C[5])(S){2|H<1>,3|C<4>}	N[5](C[5]C[4]C[5])(C[6]C[6]2H)(C[5]S[5]S){4|C<4>,6|H<1>}	S(C[5]N[5]S[5])	129.5620	0.000	1	129.5620	0.000	1	129.5620	0.000	1	129.5015	4.036	10	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	3:4:3:	3:	N[5]-3:S[5]-2:S-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:	C[5](N[5]C[6a]C[5])(S[5]C[5])(S)	N[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]S[5]S)	S(C[5]N[5]S[5])	C[5](N[5]C[6a]C[5])(S[5]C[5])(S){1|O<2>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]S[5]S){2|C<3>,4|H<1>}	S(C[5]N[5]S[5])	126.2560	0.000	1	126.2560	0.000	1	126.2560	0.000	1	129.5015	4.036	10	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	4:3:1:	3:	N[5]-3:N[5]-2:S-1:	C[5]-4:C[5]-3:H-1:	C[5]-3:	C[5](N[5]C[5]H)(N[5]C[5])(S)	N[5](C[5]C[6a]2C[5])(C[5]N[5]S)(H)	S(C[5]N[5]2)	C[5](N[5]C[5]H)(N[5]C[5])(S){1|O<1>,2|C<3>}	N[5](C[5]C[6a]2C[5])(C[5]N[5]S)(H){1|O<1>,4|C<3>}	S(C[5]N[5]2)	127.8210	0.000	1	127.8210	0.000	1	127.8210	0.000	1	127.7520	0.878	20	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	4:3:1:	3:	N[5]-3:O[5]-2:S-1:	C[5,5]-4:C[5]-3:H-1:	C[5]-3:	C[5](N[5]C[5,5]H)(O[5]C[5])(S)	N[5](C[5,5]C[5]2N[5])(C[5]O[5]S)(H)	S(C[5]N[5]O[5])	C[5](N[5]C[5,5]H)(O[5]C[5])(S){1|C<4>,1|N<3>,2|H<1>}	N[5](C[5,5]C[5]2N[5])(C[5]O[5]S)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	S(C[5]N[5]O[5])	125.4560	0.000	1	126.6125	2.675	2	126.6125	2.675	2	127.7520	0.878	20	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	4:3:1:	3:	N[5]-3:O[5]-2:S-1:	C[5,5]-4:C[5]-3:H-1:	C[5]-3:	C[5](N[5]C[5,5]H)(O[5]C[5])(S)	N[5](C[5,5]C[5]2N[5])(C[5]O[5]S)(H)	S(C[5]N[5]O[5])	C[5](N[5]C[5,5]H)(O[5]C[5])(S){1|H<1>,1|N<3>,2|C<4>}	N[5](C[5,5]C[5]2N[5])(C[5]O[5]S)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	S(C[5]N[5]O[5])	127.7690	0.000	1	126.6125	2.675	2	126.6125	2.675	2	127.7520	0.878	20	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	4:3:1:	3:	N[5]-3:O[5]-2:S-1:	C[5,6,6]-4:C[5]-3:H-1:	C[5]-3:	C[5](N[5]C[5,6,6]H)(O[5]C[5,6])(S)	N[5](C[5,6,6]C[5,6]N[6,6]C[6])(C[5]O[5]S)(H)	S(C[5]N[5]O[5])	C[5](N[5]C[5,6,6]H)(O[5]C[5,6])(S){1|C<4>,1|N<3>,2|C<3>}	N[5](C[5,6,6]C[5,6]N[6,6]C[6])(C[5]O[5]S)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>}	S(C[5]N[5]O[5])	127.8390	0.000	1	127.8390	0.000	1	127.8390	0.000	1	127.7520	0.878	20	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	4:3:1:	3:	N[5]-3:O[5]-2:S-1:	C[5]-4:C[5]-3:H-1:	C[5]-3:	C[5](N[5]C[5]H)(O[5]C[5])(S)	N[5](C[5]C[5]CC)(C[5]O[5]S)(H)	S(C[5]N[5]O[5])	C[5](N[5]C[5]H)(O[5]C[5])(S){2|C<3>,2|C<4>}	N[5](C[5]C[5]CC)(C[5]O[5]S)(H){1|C<3>,1|C<4>}	S(C[5]N[5]O[5])	128.0020	0.000	1	128.0020	0.000	1	128.5584	0.480	7	127.7520	0.878	20	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	4:3:1:	3:	N[5]-3:O[5]-2:S-1:	C[5]-4:C[5]-3:H-1:	C[5]-3:	C[5](N[5]C[5]H)(O[5]C[5])(S)	N[5](C[5]C[5]CH)(C[5]O[5]S)(H)	S(C[5]N[5]O[5])	C[5](N[5]C[5]H)(O[5]C[5])(S){1|C<3>,1|C<4>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]O[5]S)(H){1|C<3>,1|H<1>}	S(C[5]N[5]O[5])	128.9455	0.112	2	128.9365	0.080	4	128.5584	0.480	7	127.7520	0.878	20	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	4:3:1:	3:	N[5]-3:O[5]-2:S-1:	C[5]-4:C[5]-3:H-1:	C[5]-3:	C[5](N[5]C[5]H)(O[5]C[5])(S)	N[5](C[5]C[5]CH)(C[5]O[5]S)(H)	S(C[5]N[5]O[5])	C[5](N[5]C[5]H)(O[5]C[5])(S){1|C<4>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]O[5]S)(H){2|H<1>}	S(C[5]N[5]O[5])	128.5910	0.000	1	128.9365	0.080	4	128.5584	0.480	7	127.7520	0.878	20	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	4:3:1:	3:	N[5]-3:O[5]-2:S-1:	C[5]-4:C[5]-3:H-1:	C[5]-3:	C[5](N[5]C[5]H)(O[5]C[5])(S)	N[5](C[5]C[5]CH)(C[5]O[5]S)(H)	S(C[5]N[5]O[5])	C[5](N[5]C[5]H)(O[5]C[5])(S){2|C<3>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]O[5]S)(H){1|C<3>,1|H<1>}	S(C[5]N[5]O[5])	129.2640	0.000	1	128.9365	0.080	4	128.5584	0.480	7	127.7520	0.878	20	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	4:3:1:	3:	N[5]-3:O[5]-2:S-1:	C[5]-4:C[5]-3:H-1:	C[5]-3:	C[5](N[5]C[5]H)(O[5]C[5])(S)	N[5](C[5]C[6a]C[5]H)(C[5]O[5]S)(H)	S(C[5]N[5]O[5])	C[5](N[5]C[5]H)(O[5]C[5])(S){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]O[5]S)(H){1|C<4>,3|C<3>}	S(C[5]N[5]O[5])	128.8880	0.000	1	128.8880	0.000	1	128.5584	0.480	7	127.7520	0.878	20	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	4:3:1:	3:	N[5]-3:O[5]-2:S-1:	C[5]-4:C[5]-3:H-1:	C[5]-3:	C[5](N[5]C[5]H)(O[5]C[5])(S)	N[5](C[5]C[6a]C[5]P)(C[5]O[5]S)(H)	S(C[5]N[5]O[5])	C[5](N[5]C[5]H)(O[5]C[5])(S){1|H<1>,1|P<4>,2|C<3>}	N[5](C[5]C[6a]C[5]P)(C[5]O[5]S)(H){1|H<1>,3|C<3>}	S(C[5]N[5]O[5])	127.2730	0.000	1	127.2730	0.000	1	128.5584	0.480	7	127.7520	0.878	20	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	4:3:1:	3:	N[5]-3:S[5]-2:S-1:	C[5,5]-4:C[5]-3:H-1:	C[5]-3:	C[5](N[5]C[5,5]H)(S[5]C[5,5])(S)	N[5](C[5,5]C[5,5]C[5]H)(C[5]S[5]S)(H)	S(C[5]N[5]S[5])	C[5](N[5]C[5,5]H)(S[5]C[5,5])(S){2|C<4>,2|H<1>}	N[5](C[5,5]C[5,5]C[5]H)(C[5]S[5]S)(H){2|C<4>,3|H<1>}	S(C[5]N[5]S[5])	126.6890	0.000	1	126.6890	0.000	1	126.6890	0.000	1	127.7520	0.878	20	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	4:3:1:	3:	N[5]-3:S[5]-2:S-1:	C[5]-4:C[5]-3:H-1:	C[5]-3:	C[5](N[5]C[5]H)(S[5]C[5])(S)	N[5](C[5]C[5]CH)(C[5]S[5]S)(H)	S(C[5]N[5]S[5])	C[5](N[5]C[5]H)(S[5]C[5])(S){1|C<3>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]S[5]S)(H){2|H<1>}	S(C[5]N[5]S[5])	127.2230	0.000	1	127.6750	0.304	5	127.4446	0.297	8	127.7520	0.878	20	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	4:3:1:	3:	N[5]-3:S[5]-2:S-1:	C[5]-4:C[5]-3:H-1:	C[5]-3:	C[5](N[5]C[5]H)(S[5]C[5])(S)	N[5](C[5]C[5]CH)(C[5]S[5]S)(H)	S(C[5]N[5]S[5])	C[5](N[5]C[5]H)(S[5]C[5])(S){1|C<4>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]S[5]S)(H){2|H<1>}	S(C[5]N[5]S[5])	127.8480	0.952	2	127.6750	0.304	5	127.4446	0.297	8	127.7520	0.878	20	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	4:3:1:	3:	N[5]-3:S[5]-2:S-1:	C[5]-4:C[5]-3:H-1:	C[5]-3:	C[5](N[5]C[5]H)(S[5]C[5])(S)	N[5](C[5]C[5]CH)(C[5]S[5]S)(H)	S(C[5]N[5]S[5])	C[5](N[5]C[5]H)(S[5]C[5])(S){2|C<4>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]S[5]S)(H){1|C<4>,1|H<1>}	S(C[5]N[5]S[5])	127.7280	0.201	2	127.6750	0.304	5	127.4446	0.297	8	127.7520	0.878	20	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	4:3:1:	3:	N[5]-3:S[5]-2:S-1:	C[5]-4:C[5]-3:H-1:	C[5]-3:	C[5](N[5]C[5]H)(S[5]C[5])(S)	N[5](C[5]C[5]HH)(C[5]S[5]S)(H)	S(C[5]N[5]S[5])	C[5](N[5]C[5]H)(S[5]C[5])(S){1|C<3>,3|H<1>}	N[5](C[5]C[5]HH)(C[5]S[5]S)(H){1|C<3>,1|H<1>}	S(C[5]N[5]S[5])	126.7710	0.000	1	127.0607	0.077	3	127.4446	0.297	8	127.7520	0.878	20	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	4:3:1:	3:	N[5]-3:S[5]-2:S-1:	C[5]-4:C[5]-3:H-1:	C[5]-3:	C[5](N[5]C[5]H)(S[5]C[5])(S)	N[5](C[5]C[5]HH)(C[5]S[5]S)(H)	S(C[5]N[5]S[5])	C[5](N[5]C[5]H)(S[5]C[5])(S){1|C<4>,3|H<1>}	N[5](C[5]C[5]HH)(C[5]S[5]S)(H){1|C<4>,1|H<1>}	S(C[5]N[5]S[5])	127.0880	0.000	1	127.0607	0.077	3	127.4446	0.297	8	127.7520	0.878	20	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	4:3:1:	3:	N[5]-3:S[5]-2:S-1:	C[5]-4:C[5]-3:H-1:	C[5]-3:	C[5](N[5]C[5]H)(S[5]C[5])(S)	N[5](C[5]C[5]HH)(C[5]S[5]S)(H)	S(C[5]N[5]S[5])	C[5](N[5]C[5]H)(S[5]C[5])(S){4|H<1>}	N[5](C[5]C[5]HH)(C[5]S[5]S)(H){2|H<1>}	S(C[5]N[5]S[5])	127.3230	0.000	1	127.0607	0.077	3	127.4446	0.297	8	127.7520	0.878	20	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	4:3:3:	3:	N[5]-3:N[5]-2:S-1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5]-3:	C[5](N[5]C[5,5]C[6a])(N[5]N[5])(S)	N[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]N[5]S)	S(C[5]N[5]2)	C[5](N[5]C[5,5]C[6a])(N[5]N[5])(S){2|C<3>,2|C<4>}	N[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]N[5]S){2|C<3>,2|C<4>,6|H<1>}	S(C[5]N[5]2)	130.9330	0.000	1	130.9330	0.000	1	130.9330	0.000	1	129.6408	2.590	37	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	4:3:3:	3:	N[5]-3:N[5]-2:S-1:	C[5,6]-4:C[6a]-3:C[5]-3:	C[5]-3:	C[5](N[5]C[5,6]C[6a])(N[5]N[5])(S)	N[5](C[5,6]C[6,6a]C[6]N[5])(C[6a]C[6a]2)(C[5]N[5]S)	S(C[5]N[5]2)	C[5](N[5]C[5,6]C[6a])(N[5]N[5])(S){1|C<4>,3|C<3>}	N[5](C[5,6]C[6,6a]C[6]N[5])(C[6a]C[6a]2)(C[5]N[5]S){1|C<4>,4|C<3>,4|H<1>}	S(C[5]N[5]2)	132.3460	0.000	1	132.3460	0.000	1	131.9645	0.291	2	129.6408	2.590	37	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	4:3:3:	3:	N[5]-3:N[5]-2:S-1:	C[5,6]-4:C[6a]-3:C[5]-3:	C[5]-3:	C[5](N[5]C[5,6]C[6a])(N[5]N[5])(S)	N[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]N[5]S)	S(C[5]N[5]2)	C[5](N[5]C[5,6]C[6a])(N[5]N[5])(S){2|C<3>,2|C<4>}	N[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]N[5]S){2|C<3>,2|C<4>,6|H<1>}	S(C[5]N[5]2)	131.5830	0.000	1	131.5830	0.000	1	131.9645	0.291	2	129.6408	2.590	37	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	4:3:3:	3:	N[5]-3:N[5]-2:S-1:	C[5]-4:C[5]-3:C-3:	C[5]-3:	C[5](N[5]C[5]C)(N[5]C[5])(S)	N[5](C[5]C[5]HH)(C[5]N[5]S)(CCO)	S(C[5]N[5]2)	C[5](N[5]C[5]C)(N[5]C[5])(S){1|O<1>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]S)(CCO){1|O<1>}	S(C[5]N[5]2)	132.0120	0.000	1	132.0120	0.000	1	132.0120	0.000	1	129.6408	2.590	37	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	4:3:3:	3:	N[5]-3:N[5]-2:S-1:	C[5]-4:C[5]-3:C[5]-3:	C[5]-3:	C[5](N[5]C[5]2)(N[5]C[5])(S)	N[5](C[5]C[5]HH)(C[5]N[5]2)(C[5]N[5]S)	S(C[5]N[5]2)	C[5](N[5]C[5]2)(N[5]C[5])(S){2|N<2>,4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]2)(C[5]N[5]S){2|C<4>,2|H<1>}	S(C[5]N[5]2)	127.7460	0.000	1	127.7460	0.000	1	127.7460	0.000	1	129.6408	2.590	37	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	4:3:3:	3:	N[5]-3:O[5]-2:S-1:	C[5]-4:C[5]-3:C-3:	C[5]-3:	C[5](N[5]C[5]C)(O[5]C[5])(S)	N[5](C[5]C[5]CH)(C[5]O[5]S)(CCO)	S(C[5]N[5]O[5])	C[5](N[5]C[5]C)(O[5]C[5])(S){1|C<4>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]O[5]S)(CCO){2|H<1>}	S(C[5]N[5]O[5])	130.8750	0.000	1	130.8750	0.000	1	130.3280	1.671	7	129.6408	2.590	37	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	4:3:3:	3:	N[5]-3:O[5]-2:S-1:	C[5]-4:C[5]-3:C-3:	C[5]-3:	C[5](N[5]C[5]C)(O[5]C[5])(S)	N[5](C[5]C[5]CH)(C[5]O[5]S)(CNS)	S(C[5]N[5]O[5])	C[5](N[5]C[5]C)(O[5]C[5])(S){2|C<3>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]O[5]S)(CNS){1|C<3>,1|H<1>}	S(C[5]N[5]O[5])	130.6040	0.000	1	130.6040	0.000	1	130.3280	1.671	7	129.6408	2.590	37	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	4:3:3:	3:	N[5]-3:O[5]-2:S-1:	C[5]-4:C[5]-3:C-3:	C[5]-3:	C[5](N[5]C[5]C)(O[5]C[5])(S)	N[5](C[5]C[5]CH)(C[5]O[5]S)(COO)	S(C[5]N[5]O[5])	C[5](N[5]C[5]C)(O[5]C[5])(S){1|C<4>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]O[5]S)(COO){2|H<1>}	S(C[5]N[5]O[5])	130.4850	0.000	1	130.4850	0.000	1	130.3280	1.671	7	129.6408	2.590	37	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	4:3:3:	3:	N[5]-3:O[5]-2:S-1:	C[5]-4:C[5]-3:C-3:	C[5]-3:	C[5](N[5]C[5]C)(O[5]C[5])(S)	N[5](C[5]C[5]HH)(C[5]O[5]S)(CC[6a]O)	S(C[5]N[5]O[5])	C[5](N[5]C[5]C)(O[5]C[5])(S){4|H<1>}	N[5](C[5]C[5]HH)(C[5]O[5]S)(CC[6a]O){2|H<1>}	S(C[5]N[5]O[5])	129.9375	0.462	2	129.9375	0.213	2	130.3280	1.671	7	129.6408	2.590	37	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	4:3:3:	3:	N[5]-3:O[5]-2:S-1:	C[5]-4:C[5]-3:C-3:	C[5]-3:	C[5](N[5]C[5]C)(O[5]C[5])(S)	N[5](C[5]C[6a]C[5]H)(C[5]O[5]S)(CCO)	S(C[5]N[5]O[5])	C[5](N[5]C[5]C)(O[5]C[5])(S){1|C<3>,1|H<1>,2|C<4>}	N[5](C[5]C[6a]C[5]H)(C[5]O[5]S)(CCO){2|C<3>,2|C<4>}	S(C[5]N[5]O[5])	132.3600	0.000	1	130.2285	9.087	2	130.3280	1.671	7	129.6408	2.590	37	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	4:3:3:	3:	N[5]-3:O[5]-2:S-1:	C[5]-4:C[5]-3:C-3:	C[5]-3:	C[5](N[5]C[5]C)(O[5]C[5])(S)	N[5](C[5]C[6a]C[5]H)(C[5]O[5]S)(CCO)	S(C[5]N[5]O[5])	C[5](N[5]C[5]C)(O[5]C[5])(S){1|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]O[5]S)(CCO){2|C<3>,2|H<1>}	S(C[5]N[5]O[5])	128.0970	0.000	1	130.2285	9.087	2	130.3280	1.671	7	129.6408	2.590	37	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	4:3:3:	3:	N[5]-3:O[5]-2:S-1:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-3:	C[5](N[5]C[6a]C[5])(O[5]C[5])(S)	N[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]O[5]S)	S(C[5]N[5]O[5])	C[5](N[5]C[6a]C[5])(O[5]C[5])(S){2|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]O[5]S){4|C<3>,4|H<1>}	S(C[5]N[5]O[5])	128.7750	0.000	1	128.7750	0.000	1	128.7750	0.000	1	129.6408	2.590	37	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	4:3:3:	3:	N[5]-3:S[5]-2:S-1:	C[5,6]-4:C[6a]-3:C[5]-3:	C[5]-3:	C[5](N[5]C[5,6]C[6a])(S[5]C[5,6])(S)	N[5](C[5,6]C[5,6]C[6]O)(C[6a]C[6a]2)(C[5]S[5]S)	S(C[5]N[5]S[5])	C[5](N[5]C[5,6]C[6a])(S[5]C[5,6])(S){1|O<2>,2|C<3>,3|C<4>}	N[5](C[5,6]C[5,6]C[6]O)(C[6a]C[6a]2)(C[5]S[5]S){2|C<4>,3|C<3>,4|H<1>}	S(C[5]N[5]S[5])	126.3070	0.000	1	126.3070	0.000	1	126.3070	0.000	1	129.6408	2.590	37	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	4:3:3:	3:	N[5]-3:S[5]-2:S-1:	C[5]-4:C[5]-3:C-3:	C[5]-3:	C[5](N[5]C[5]C)(S[5]C[5])(S)	N[5](C[5]C[5]CH)(C[5]S[5]S)(CCO)	S(C[5]N[5]S[5])	C[5](N[5]C[5]C)(S[5]C[5])(S){1|C<4>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]S[5]S)(CCO){2|H<1>}	S(C[5]N[5]S[5])	130.2054	1.112	8	130.2054	1.237	8	129.5726	1.437	21	129.6408	2.590	37	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	4:3:3:	3:	N[5]-3:S[5]-2:S-1:	C[5]-4:C[5]-3:C-3:	C[5]-3:	C[5](N[5]C[5]C)(S[5]C[5])(S)	N[5](C[5]C[5]HH)(C[5]S[5]S)(CCO)	S(C[5]N[5]S[5])	C[5](N[5]C[5]C)(S[5]C[5])(S){4|H<1>}	N[5](C[5]C[5]HH)(C[5]S[5]S)(CCO){2|H<1>}	S(C[5]N[5]S[5])	129.3501	1.313	7	129.3501	1.723	7	129.5726	1.437	21	129.6408	2.590	37	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	4:3:3:	3:	N[5]-3:S[5]-2:S-1:	C[5]-4:C[5]-3:C-3:	C[5]-3:	C[5](N[5]C[5]C)(S[5]C[5])(S)	N[5](C[5]C[5]HH)(C[5]S[5]S)(CC[3]O)	S(C[5]N[5]S[5])	C[5](N[5]C[5]C)(S[5]C[5])(S){4|H<1>}	N[5](C[5]C[5]HH)(C[5]S[5]S)(CC[3]O){2|H<1>}	S(C[5]N[5]S[5])	129.9280	0.000	1	129.9280	0.000	1	129.5726	1.437	21	129.6408	2.590	37	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	4:3:3:	3:	N[5]-3:S[5]-2:S-1:	C[5]-4:C[5]-3:C-3:	C[5]-3:	C[5](N[5]C[5]C)(S[5]C[5])(S)	N[5](C[5]C[5]HH)(C[5]S[5]S)(CC[6]O)	S(C[5]N[5]S[5])	C[5](N[5]C[5]C)(S[5]C[5])(S){4|H<1>}	N[5](C[5]C[5]HH)(C[5]S[5]S)(CC[6]O){2|H<1>}	S(C[5]N[5]S[5])	128.0820	0.000	1	128.0820	0.000	1	129.5726	1.437	21	129.6408	2.590	37	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	4:3:3:	3:	N[5]-3:S[5]-2:S-1:	C[5]-4:C[5]-3:C-3:	C[5]-3:	C[5](N[5]C[5]C)(S[5]C[5])(S)	N[5](C[5]C[5]HH)(C[5]S[5]S)(CC[6a]O)	S(C[5]N[5]S[5])	C[5](N[5]C[5]C)(S[5]C[5])(S){4|H<1>}	N[5](C[5]C[5]HH)(C[5]S[5]S)(CC[6a]O){2|H<1>}	S(C[5]N[5]S[5])	128.7810	0.994	3	128.7810	0.987	3	129.5726	1.437	21	129.6408	2.590	37	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	4:3:3:	3:	N[5]-3:S[5]-2:S-1:	C[5]-4:C[5]-3:C-3:	C[5]-3:	C[5](N[5]C[5]C)(S[5]C[5])(S)	N[5](C[5]C[5]HH)(C[5]S[5]S)(COO)	S(C[5]N[5]S[5])	C[5](N[5]C[5]C)(S[5]C[5])(S){4|H<1>}	N[5](C[5]C[5]HH)(C[5]S[5]S)(COO){2|H<1>}	S(C[5]N[5]S[5])	129.5770	0.000	1	129.5770	0.000	1	129.5726	1.437	21	129.6408	2.590	37	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	4:3:3:	3:	N[5]-3:S[5]-2:S-1:	C[5]-4:C[5]-3:P-3:	C[5]-3:	C[5](N[5]C[5]P)(S[5]C[5])(S)	N[5](C[5]C[5]HH)(C[5]S[5]S)(PC[6a]2)	S(C[5]N[5]S[5])	C[5](N[5]C[5]P)(S[5]C[5])(S){4|H<1>}	N[5](C[5]C[5]HH)(C[5]S[5]S)(PC[6a]2){2|H<1>}	S(C[5]N[5]S[5])	125.9580	0.000	1	125.9580	0.000	1	125.9580	0.000	1	129.6408	2.590	37	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	4:3:3:	3:	N[5]-3:S[5]-2:S-1:	C[6]-4:C[5]-3:C[5]-3:	C[5]-3:	C[5](N[5]C[5]C[6])(S[5]C[5])(S)	N[5](C[6]C[6]2H)(C[5]C[5]O)(C[5]S[5]S)	S(C[5]N[5]S[5])	C[5](N[5]C[5]C[6])(S[5]C[5])(S){1|O<1>,2|C<4>,3|H<1>}	N[5](C[6]C[6]2H)(C[5]C[5]O)(C[5]S[5]S){2|C<4>,6|H<1>}	S(C[5]N[5]S[5])	127.7300	0.000	1	127.7300	0.000	1	127.7300	0.000	1	129.6408	2.590	37	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	4:3:4:	3:	N[5]-3:N[5]-2:S-1:	C[5,6]-4:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5,6]C)(N[5]N[5])(S)	N[5](C[5,6]C[6]2N[5])(C[5]N[5]S)(CC[6a]HH)	S(C[5]N[5]2)	C[5](N[5]C[5,6]C)(N[5]N[5])(S){2|C<4>}	N[5](C[5,6]C[6]2N[5])(C[5]N[5]S)(CC[6a]HH){2|C<4>,4|H<1>}	S(C[5]N[5]2)	131.8990	0.000	1	131.8990	0.000	1	131.8990	0.000	1	127.8284	6.169	11	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	4:3:4:	3:	N[5]-3:N[5]-2:S-1:	C[5]-4:C[5]-3:S-4:	C[5]-3:	C[5](N[5]C[5]S)(N[5]C[5])(S)	N[5](C[5]C[6a]C[5]H)(C[5]N[5]S)(SC[6a]OO)	S(C[5]N[5]2)	C[5](N[5]C[5]S)(N[5]C[5])(S){2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]N[5]S)(SC[6a]OO){1|H<1>,3|C<3>}	S(C[5]N[5]2)	127.6390	0.000	1	127.6390	0.000	1	127.6390	0.000	1	127.8284	6.169	11	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	4:3:4:	3:	N[5]-3:O[5]-2:S-1:	C[5]-4:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5]C)(O[5]C[5])(S)	N[5](C[5]C[5]CH)(C[5]O[5]S)(CC[6a]HH)	S(C[5]N[5]O[5])	C[5](N[5]C[5]C)(O[5]C[5])(S){1|C<4>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]O[5]S)(CC[6a]HH){2|H<1>}	S(C[5]N[5]O[5])	128.9380	0.000	1	128.9380	0.000	1	128.9380	0.000	1	127.8284	6.169	11	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	4:3:4:	3:	N[5]-3:S[5]-2:S-1:	C[5,6]-4:C[5]-3:S-4:	C[5]-3:	C[5](N[5]C[5,6]S)(S[5]C[5,6])(S)	N[5](C[5,6]C[5,6]C[6]H)(C[5]S[5]S)(SC[6a]OO)	S(C[5]N[5]S[5])	C[5](N[5]C[5,6]S)(S[5]C[5,6])(S){2|C<4>,2|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]S[5]S)(SC[6a]OO){2|C<4>,3|H<1>}	S(C[5]N[5]S[5])	129.8660	0.000	1	129.8660	0.000	1	129.8660	0.000	1	127.8284	6.169	11	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	4:3:4:	3:	N[5]-3:S[5]-2:S-1:	C[5]-4:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5]C)(S[5]C[5])(S)	N[5](C[5]C[5]CH)(C[5]S[5]S)(CH3)	S(C[5]N[5]S[5])	C[5](N[5]C[5]C)(S[5]C[5])(S){2|C<4>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]S[5]S)(CH3){1|C<4>,1|H<1>}	S(C[5]N[5]S[5])	127.3950	0.000	1	127.3950	0.000	1	126.3338	4.508	6	127.8284	6.169	11	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	4:3:4:	3:	N[5]-3:S[5]-2:S-1:	C[5]-4:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5]C)(S[5]C[5])(S)	N[5](C[5]C[5]HH)(C[5]S[5]S)(CCCH)	S(C[5]N[5]S[5])	C[5](N[5]C[5]C)(S[5]C[5])(S){4|H<1>}	N[5](C[5]C[5]HH)(C[5]S[5]S)(CCCH){2|H<1>}	S(C[5]N[5]S[5])	128.0420	0.000	1	128.0420	0.000	1	126.3338	4.508	6	127.8284	6.169	11	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	4:3:4:	3:	N[5]-3:S[5]-2:S-1:	C[5]-4:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5]C)(S[5]C[5])(S)	N[5](C[5]C[5]HH)(C[5]S[5]S)(CCHH)	S(C[5]N[5]S[5])	C[5](N[5]C[5]C)(S[5]C[5])(S){4|H<1>}	N[5](C[5]C[5]HH)(C[5]S[5]S)(CCHH){2|H<1>}	S(C[5]N[5]S[5])	126.9550	0.000	1	126.9550	0.000	1	126.3338	4.508	6	127.8284	6.169	11	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	4:3:4:	3:	N[5]-3:S[5]-2:S-1:	C[5]-4:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5]C)(S[5]C[5])(S)	N[5](C[5]C[5]HH)(C[5]S[5]S)(CC[6a]HH)	S(C[5]N[5]S[5])	C[5](N[5]C[5]C)(S[5]C[5])(S){4|H<1>}	N[5](C[5]C[5]HH)(C[5]S[5]S)(CC[6a]HH){2|H<1>}	S(C[5]N[5]S[5])	126.8500	0.000	1	126.8500	0.000	1	126.3338	4.508	6	127.8284	6.169	11	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	4:3:4:	3:	N[5]-3:S[5]-2:S-1:	C[5]-4:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5]C)(S[5]C[5])(S)	N[5](C[5]C[5]HH)(C[5]S[5]S)(CH3)	S(C[5]N[5]S[5])	C[5](N[5]C[5]C)(S[5]C[5])(S){4|H<1>}	N[5](C[5]C[5]HH)(C[5]S[5]S)(CH3){2|H<1>}	S(C[5]N[5]S[5])	124.3805	3.195	2	124.3805	10.211	2	126.3338	4.508	6	127.8284	6.169	11	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:2:1:	4:3:4:	3:	N[5]-3:S[5]-2:S-1:	C[5]-4:C[5]-3:S-4:	C[5]-3:	C[5](N[5]C[5]S)(S[5]C[5])(S)	N[5](C[5]C[5]HH)(C[5]S[5]S)(SC[6a]OO)	S(C[5]N[5]S[5])	C[5](N[5]C[5]S)(S[5]C[5])(S){4|H<1>}	N[5](C[5]C[5]HH)(C[5]S[5]S)(SC[6a]OO){2|H<1>}	S(C[5]N[5]S[5])	129.7670	0.000	1	129.7670	0.000	1	129.7670	0.000	1	127.8284	6.169	11	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:2:1:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:N[5]-2:H-1:	C[5]-3:	C[5](N[5]C[5]C)(N[5]N[5]H)(S)	N[5](C[5]N[5]S)(N[5]C[5])(H)	S(C[5]N[5]2)	C[5](N[5]C[5]C)(N[5]N[5]H)(S){1|C<3>}	N[5](C[5]N[5]S)(N[5]C[5])(H){1|C<3>,1|C<4>}	S(C[5]N[5]2)	128.5113	0.495	17	128.5197	0.407	23	128.2438	1.202	149	128.2438	1.202	149	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:2:1:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:N[5]-2:H-1:	C[5]-3:	C[5](N[5]C[5]C)(N[5]N[5]H)(S)	N[5](C[5]N[5]S)(N[5]C[5])(H)	S(C[5]N[5]2)	C[5](N[5]C[5]C)(N[5]N[5]H)(S){1|C<4>}	N[5](C[5]N[5]S)(N[5]C[5])(H){2|C<4>}	S(C[5]N[5]2)	128.5435	1.002	6	128.5197	0.407	23	128.2438	1.202	149	128.2438	1.202	149	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:2:1:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:N[5]-2:H-1:	C[5]-3:	C[5](N[5]C[5]H)(N[5]N[5]H)(S)	N[5](C[5]N[5]S)(N[5]C[5])(H)	S(C[5]N[5]2)	C[5](N[5]C[5]H)(N[5]N[5]H)(S){1|C<3>}	N[5](C[5]N[5]S)(N[5]C[5])(H){1|C<3>,1|H<1>}	S(C[5]N[5]2)	128.0330	0.561	3	128.0722	0.172	5	128.2438	1.202	149	128.2438	1.202	149	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:2:1:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:N[5]-2:H-1:	C[5]-3:	C[5](N[5]C[5]H)(N[5]N[5]H)(S)	N[5](C[5]N[5]S)(N[5]C[5])(H)	S(C[5]N[5]2)	C[5](N[5]C[5]H)(N[5]N[5]H)(S){1|C<4>}	N[5](C[5]N[5]S)(N[5]C[5])(H){1|C<4>,1|H<1>}	S(C[5]N[5]2)	128.2850	0.000	1	128.0722	0.172	5	128.2438	1.202	149	128.2438	1.202	149	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:2:1:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:N[5]-2:H-1:	C[5]-3:	C[5](N[5]C[5]H)(N[5]N[5]H)(S)	N[5](C[5]N[5]S)(N[5]C[5])(H)	S(C[5]N[5]2)	C[5](N[5]C[5]H)(N[5]N[5]H)(S){1|N<3>}	N[5](C[5]N[5]S)(N[5]C[5])(H){1|H<1>,1|N<3>}	S(C[5]N[5]2)	127.9770	0.000	1	128.0722	0.172	5	128.2438	1.202	149	128.2438	1.202	149	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:2:1:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:N[5]-2:H-1:	C[5]-3:	C[5](N[5]C[5]N)(N[5]N[5]H)(S)	N[5](C[5]N[5]S)(N[5]C[5])(H)	S(C[5]N[5]2)	C[5](N[5]C[5]N)(N[5]N[5]H)(S){1|C<3>}	N[5](C[5]N[5]S)(N[5]C[5])(H){1|C<3>,1|N<2>}	S(C[5]N[5]2)	127.9278	0.996	13	128.0968	1.773	86	128.2438	1.202	149	128.2438	1.202	149	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:2:1:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:N[5]-2:H-1:	C[5]-3:	C[5](N[5]C[5]N)(N[5]N[5]H)(S)	N[5](C[5]N[5]S)(N[5]C[5])(H)	S(C[5]N[5]2)	C[5](N[5]C[5]N)(N[5]N[5]H)(S){1|C<3>}	N[5](C[5]N[5]S)(N[5]C[5])(H){1|C<3>,1|N<3>}	S(C[5]N[5]2)	129.6369	0.930	9	128.0968	1.773	86	128.2438	1.202	149	128.2438	1.202	149	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:2:1:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:N[5]-2:H-1:	C[5]-3:	C[5](N[5]C[5]N)(N[5]N[5]H)(S)	N[5](C[5]N[5]S)(N[5]C[5])(H)	S(C[5]N[5]2)	C[5](N[5]C[5]N)(N[5]N[5]H)(S){1|C<4>}	N[5](C[5]N[5]S)(N[5]C[5])(H){1|C<4>,1|N<2>}	S(C[5]N[5]2)	127.4741	1.044	47	128.0968	1.773	86	128.2438	1.202	149	128.2438	1.202	149	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:2:1:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:N[5]-2:H-1:	C[5]-3:	C[5](N[5]C[5]N)(N[5]N[5]H)(S)	N[5](C[5]N[5]S)(N[5]C[5])(H)	S(C[5]N[5]2)	C[5](N[5]C[5]N)(N[5]N[5]H)(S){1|C<4>}	N[5](C[5]N[5]S)(N[5]C[5])(H){1|C<4>,1|N<3>}	S(C[5]N[5]2)	129.6542	0.459	13	128.0968	1.773	86	128.2438	1.202	149	128.2438	1.202	149	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:2:1:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:N[5]-2:H-1:	C[5]-3:	C[5](N[5]C[5]N)(N[5]N[5]H)(S)	N[5](C[5]N[5]S)(N[5]C[5])(H)	S(C[5]N[5]2)	C[5](N[5]C[5]N)(N[5]N[5]H)(S){1|H<1>}	N[5](C[5]N[5]S)(N[5]C[5])(H){1|H<1>,1|N<2>}	S(C[5]N[5]2)	126.7290	0.110	3	128.0968	1.773	86	128.2438	1.202	149	128.2438	1.202	149	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:2:1:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:N[5]-2:H-1:	C[5]-3:	C[5](N[5]C[5]N)(N[5]N[5]H)(S)	N[5](C[5]N[5]S)(N[5]C[5])(H)	S(C[5]N[5]2)	C[5](N[5]C[5]N)(N[5]N[5]H)(S){1|N<3>}	N[5](C[5]N[5]S)(N[5]C[5])(H){2|N<3>}	S(C[5]N[5]2)	129.5590	0.000	1	128.0968	1.773	86	128.2438	1.202	149	128.2438	1.202	149	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:2:1:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:N[5]-2:H-1:	C[5]-3:	C[5](N[5]C[6a]C[5])(N[5]N[5]H)(S)	N[5](C[5]N[5]S)(N[5]C[5])(H)	S(C[5]N[5]2)	C[5](N[5]C[6a]C[5])(N[5]N[5]H)(S){1|C<4>,2|C<3>}	N[5](C[5]N[5]S)(N[5]C[5])(H){1|C<3>,1|C<4>}	S(C[5]N[5]2)	128.4425	0.655	19	128.4264	0.355	34	128.2438	1.202	149	128.2438	1.202	149	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:2:1:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:N[5]-2:H-1:	C[5]-3:	C[5](N[5]C[6a]C[5])(N[5]N[5]H)(S)	N[5](C[5]N[5]S)(N[5]C[5])(H)	S(C[5]N[5]2)	C[5](N[5]C[6a]C[5])(N[5]N[5]H)(S){3|C<3>}	N[5](C[5]N[5]S)(N[5]C[5])(H){2|C<3>}	S(C[5]N[5]2)	128.4061	0.533	15	128.4264	0.355	34	128.2438	1.202	149	128.2438	1.202	149	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:2:1:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:N[5]-2:H-1:	C[5]-3:	C[5](N[5]C[6a]N[5])(N[5]N[5]H)(S)	N[5](C[5]N[5]S)(N[5]N[5])(H)	S(C[5]N[5]2)	C[5](N[5]C[6a]N[5])(N[5]N[5]H)(S){2|C<3>}	N[5](C[5]N[5]S)(N[5]N[5])(H){1|C<3>}	S(C[5]N[5]2)	129.1840	0.000	1	129.1840	0.000	1	128.2438	1.202	149	128.2438	1.202	149	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:2:4:	3:	N[5,6a]-3:N[5]-3:S-1:	C[5]-3:N[5]-2:C-4:	C[5]-3:	C[5](N[5,6a]C[5,6a]C[6a])(N[5]N[5]C)(S)	N[5](C[5]N[5,6a]S)(N[5]C[5,6a])(CCHH)	S(C[5]N[5,6a]N[5])	C[5](N[5,6a]C[5,6a]C[6a])(N[5]N[5]C)(S){1|H<1>,2|C<3>}	N[5](C[5]N[5,6a]S)(N[5]C[5,6a])(CCHH){2|C<3>}	S(C[5]N[5,6a]N[5])	129.9460	0.000	1	129.9460	0.000	1	129.9460	0.000	1	128.4749	1.036	34	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:2:4:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:N[5]-2:B-4:	C[5]-3:	C[5](N[5]C[5]C)(N[5]N[5]B)(S)	N[5](C[5]N[5]S)(N[5]C[5])(BN[5]2H)	S(C[5]N[5]2)	C[5](N[5]C[5]C)(N[5]N[5]B)(S){1|C<4>}	N[5](C[5]N[5]S)(N[5]C[5])(BN[5]2H){2|C<4>}	S(C[5]N[5]2)	128.3092	0.765	6	128.3092	0.586	6	128.2884	0.491	7	128.4749	1.036	34	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:2:4:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:N[5]-2:B-4:	C[5]-3:	C[5](N[5]C[6a]N[5])(N[5]N[5]B)(S)	N[5](C[5]N[5]S)(N[5]N[5])(BC[5]HH)	S(C[5]N[5]2)	C[5](N[5]C[6a]N[5])(N[5]N[5]B)(S){2|C<3>}	N[5](C[5]N[5]S)(N[5]N[5])(BC[5]HH){1|C<3>}	S(C[5]N[5]2)	128.1640	0.000	1	128.1640	0.000	1	128.2884	0.491	7	128.4749	1.036	34	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:2:4:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:N[5]-2:C-4:	C[5]-3:	C[5](N[5]C[5]C)(N[5]N[5]C)(S)	N[5](C[5]N[5]S)(N[5]C[5])(CH3)	S(C[5]N[5]2)	C[5](N[5]C[5]C)(N[5]N[5]C)(S){1|C<3>}	N[5](C[5]N[5]S)(N[5]C[5])(CH3){1|C<3>,1|C<4>}	S(C[5]N[5]2)	129.4110	0.000	1	129.4110	0.000	1	128.4685	1.154	26	128.4749	1.036	34	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:2:4:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:N[5]-2:C-4:	C[5]-3:	C[5](N[5]C[5]C)(N[5]N[5]C)(S)	N[5](C[5]N[5]S)(N[5]C[5])(CN[6]HH)	S(C[5]N[5]2)	C[5](N[5]C[5]C)(N[5]N[5]C)(S){1|C<3>}	N[5](C[5]N[5]S)(N[5]C[5])(CN[6]HH){1|C<3>,1|C<4>}	S(C[5]N[5]2)	129.2040	0.000	1	128.7422	0.183	6	128.4685	1.154	26	128.4749	1.036	34	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:2:4:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:N[5]-2:C-4:	C[5]-3:	C[5](N[5]C[5]C)(N[5]N[5]C)(S)	N[5](C[5]N[5]S)(N[5]C[5])(CN[6]HH)	S(C[5]N[5]2)	C[5](N[5]C[5]C)(N[5]N[5]C)(S){1|C<4>}	N[5](C[5]N[5]S)(N[5]C[5])(CN[6]HH){2|C<4>}	S(C[5]N[5]2)	128.6498	0.406	5	128.7422	0.183	6	128.4685	1.154	26	128.4749	1.036	34	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:2:4:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:N[5]-2:C-4:	C[5]-3:	C[5](N[5]C[5]H)(N[5]N[5]C)(S)	N[5](C[5]N[5]S)(N[5]C[5])(CCHH)	S(C[5]N[5]2)	C[5](N[5]C[5]H)(N[5]N[5]C)(S){1|C<3>}	N[5](C[5]N[5]S)(N[5]C[5])(CCHH){1|C<3>,1|H<1>}	S(C[5]N[5]2)	127.7780	0.000	1	127.7780	0.000	1	128.4685	1.154	26	128.4749	1.036	34	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:2:4:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:N[5]-2:C-4:	C[5]-3:	C[5](N[5]C[5]N)(N[5]N[5]C)(S)	N[5](C[5]N[5]S)(N[5]C[5])(CCHH)	S(C[5]N[5]2)	C[5](N[5]C[5]N)(N[5]N[5]C)(S){1|C<4>}	N[5](C[5]N[5]S)(N[5]C[5])(CCHH){1|C<4>,1|N<3>}	S(C[5]N[5]2)	129.6470	0.000	1	129.6470	0.000	1	128.4685	1.154	26	128.4749	1.036	34	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:2:4:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:N[5]-2:C-4:	C[5]-3:	C[5](N[5]C[5]N)(N[5]N[5]C)(S)	N[5](C[5]N[5]S)(N[5]C[5])(CH3)	S(C[5]N[5]2)	C[5](N[5]C[5]N)(N[5]N[5]C)(S){1|H<1>}	N[5](C[5]N[5]S)(N[5]C[5])(CH3){1|H<1>,1|N<3>}	S(C[5]N[5]2)	130.2790	0.099	2	130.2790	0.010	2	128.4685	1.154	26	128.4749	1.036	34	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:2:4:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:N[5]-2:C-4:	C[5]-3:	C[5](N[5]C[5]N)(N[5]N[5]C)(S)	N[5](C[5]N[5]S)(N[5]C[5])(CHHN)	S(C[5]N[5]2)	C[5](N[5]C[5]N)(N[5]N[5]C)(S){1|C<4>}	N[5](C[5]N[5]S)(N[5]C[5])(CHHN){1|C<4>,1|N<2>}	S(C[5]N[5]2)	127.3855	0.081	2	127.3855	0.007	2	128.4685	1.154	26	128.4749	1.036	34	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:2:4:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:N[5]-2:C-4:	C[5]-3:	C[5](N[5]C[5]N)(N[5]N[5]C)(S)	N[5](C[5]N[5]S)(N[5]C[5])(CN[6]HH)	S(C[5]N[5]2)	C[5](N[5]C[5]N)(N[5]N[5]C)(S){1|C<3>}	N[5](C[5]N[5]S)(N[5]C[5])(CN[6]HH){1|C<3>,1|N<2>}	S(C[5]N[5]2)	127.5355	0.008	2	127.5313	0.342	9	128.4685	1.154	26	128.4749	1.036	34	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:2:4:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:N[5]-2:C-4:	C[5]-3:	C[5](N[5]C[5]N)(N[5]N[5]C)(S)	N[5](C[5]N[5]S)(N[5]C[5])(CN[6]HH)	S(C[5]N[5]2)	C[5](N[5]C[5]N)(N[5]N[5]C)(S){1|C<4>}	N[5](C[5]N[5]S)(N[5]C[5])(CN[6]HH){1|C<4>,1|N<2>}	S(C[5]N[5]2)	127.5301	0.675	7	127.5313	0.342	9	128.4685	1.154	26	128.4749	1.036	34	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:2:4:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:N[5]-2:C-4:	C[5]-3:	C[5](N[5]C[6a]C[5])(N[5]N[5]C)(S)	N[5](C[5]N[5]S)(N[5]C[5])(CN[6]HH)	S(C[5]N[5]2)	C[5](N[5]C[6a]C[5])(N[5]N[5]C)(S){1|C<4>,2|C<3>}	N[5](C[5]N[5]S)(N[5]C[5])(CN[6]HH){1|C<3>,1|C<4>}	S(C[5]N[5]2)	129.4450	0.672	4	129.4450	0.452	4	128.4685	1.154	26	128.4749	1.036	34	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:1:	3:	N[5,5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:	C[5](N[5,5]C[5,5]N[5])(N[5]C[5]H)(S)	N[5](C[5]C[5,5]O)(C[5]N[5,5]S)(H)	S(C[5]N[5,5]N[5])	C[5](N[5,5]C[5,5]N[5])(N[5]C[5]H)(S){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	N[5](C[5]C[5,5]O)(C[5]N[5,5]S)(H){1|C<4>,1|N<3>,1|O<2>}	S(C[5]N[5,5]N[5])	127.7655	0.524	2	127.7655	0.275	2	127.7655	0.275	2	126.2590	3.428	59	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:1:	3:	N[5,6]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:	C[5](N[5,6]C[6,6a]C[5,6])(N[5]C[5]H)(S)	N[5](C[5]C[5,6]C[6a])(C[5]N[5,6]S)(H)	S(C[5]N[5,6]N[5])	C[5](N[5,6]C[6,6a]C[5,6])(N[5]C[5]H)(S){1|O<2>,3|C<3>}	N[5](C[5]C[5,6]C[6a])(C[5]N[5,6]S)(H){1|O<2>,3|C<3>}	S(C[5]N[5,6]N[5])	126.1920	0.000	1	126.1920	0.000	1	126.1920	0.000	1	126.2590	3.428	59	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:1:	3:	N[5]-3:N[5]-3:S-1:	C[5,6a]-3:C[5]-3:H-1:	C[5]-3:	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H)	S(C[5]N[5]2)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(S){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H){1|C<4>,1|H<1>,2|C<3>}	S(C[5]N[5]2)	124.2230	3.376	2	124.2230	11.396	2	126.2576	2.686	14	126.2590	3.428	59	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:1:	3:	N[5]-3:N[5]-3:S-1:	C[5,6a]-3:C[5]-3:H-1:	C[5]-3:	C[5](N[5]C[5,6a]C[5])(N[5]C[5,6a]H)(S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H)	S(C[5]N[5]2)	C[5](N[5]C[5,6a]C[5])(N[5]C[5,6a]H)(S){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>}	S(C[5]N[5]2)	126.9980	0.000	1	126.9980	0.000	1	126.2576	2.686	14	126.2590	3.428	59	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:1:	3:	N[5]-3:N[5]-3:S-1:	C[5,6a]-3:C[5]-3:H-1:	C[5]-3:	C[5](N[5]C[5,6a]H)2(S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H)	S(C[5]N[5]2)	C[5](N[5]C[5,6a]H)2(S){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H){2|C<3>,2|H<1>}	S(C[5]N[5]2)	126.8517	1.084	9	126.8517	1.174	9	126.2576	2.686	14	126.2590	3.428	59	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:1:	3:	N[5]-3:N[5]-3:S-1:	C[5,6a]-3:C[5]-3:H-1:	C[5]-3:	C[5](N[5]C[5,6a]Si)(N[5]C[5,6a]H)(S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H)	S(C[5]N[5]2)	C[5](N[5]C[5,6a]Si)(N[5]C[5,6a]H)(S){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H){1|Si<4>,1|H<1>,2|C<3>}	S(C[5]N[5]2)	125.2490	0.307	2	125.2490	0.094	2	126.2576	2.686	14	126.2590	3.428	59	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:1:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:	C[5](N[5]C[5,5]H)(N[5]C[5]H)(S)	N[5](C[5]C[5,5]S)(C[5]N[5]S)(H)	S(C[5]N[5]2)	C[5](N[5]C[5,5]H)(N[5]C[5]H)(S){1|S<1>,2|C<4>}	N[5](C[5]C[5,5]S)(C[5]N[5]S)(H){1|H<1>,2|C<4>}	S(C[5]N[5]2)	123.9610	0.000	1	123.9610	0.000	1	126.2058	3.960	41	126.2590	3.428	59	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:1:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:	C[5](N[5]C[5,6]H)(N[5]C[5]H)(S)	N[5](C[5]C[5,6]S)(C[5]N[5]S)(H)	S(C[5]N[5]2)	C[5](N[5]C[5,6]H)(N[5]C[5]H)(S){1|S<1>,2|C<4>}	N[5](C[5]C[5,6]S)(C[5]N[5]S)(H){1|H<1>,2|C<4>}	S(C[5]N[5]2)	123.5770	0.000	1	123.5770	0.000	1	126.2058	3.960	41	126.2590	3.428	59	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:1:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:	C[5](N[5]C[5]C)(N[5]C[5]H)(S)	N[5](C[5]C[5]C)(C[5]N[5]S)(H)	S(C[5]N[5]2)	C[5](N[5]C[5]C)(N[5]C[5]H)(S){1|C<4>,1|H<1>}	N[5](C[5]C[5]C)(C[5]N[5]S)(H){1|C<4>,1|H<1>}	S(C[5]N[5]2)	126.9760	0.000	1	126.9760	0.000	1	126.2058	3.960	41	126.2590	3.428	59	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:1:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:	C[5](N[5]C[5]C)(N[5]C[5]H)(S)	N[5](C[5]C[5]H)(C[5]N[5]S)(H)	S(C[5]N[5]2)	C[5](N[5]C[5]C)(N[5]C[5]H)(S){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(H){1|C<3>,1|H<1>}	S(C[5]N[5]2)	126.8765	1.182	2	126.9522	0.446	6	126.2058	3.960	41	126.2590	3.428	59	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:1:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:	C[5](N[5]C[5]C)(N[5]C[5]H)(S)	N[5](C[5]C[5]H)(C[5]N[5]S)(H)	S(C[5]N[5]2)	C[5](N[5]C[5]C)(N[5]C[5]H)(S){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(H){1|C<4>,1|H<1>}	S(C[5]N[5]2)	126.9900	0.521	4	126.9522	0.446	6	126.2058	3.960	41	126.2590	3.428	59	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:1:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:	C[5](N[5]C[5]C)(N[5]C[5]H)(S)	N[5](C[5]C[5]O)(C[5]N[5]S)(H)	S(C[5]N[5]2)	C[5](N[5]C[5]C)(N[5]C[5]H)(S){1|C<3>,1|H<1>,1|O<1>}	N[5](C[5]C[5]O)(C[5]N[5]S)(H){1|H<1>,2|C<3>}	S(C[5]N[5]2)	123.3580	0.000	1	123.4783	1.274	8	126.2058	3.960	41	126.2590	3.428	59	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:1:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:	C[5](N[5]C[5]C)(N[5]C[5]H)(S)	N[5](C[5]C[5]O)(C[5]N[5]S)(H)	S(C[5]N[5]2)	C[5](N[5]C[5]C)(N[5]C[5]H)(S){1|C<4>,1|H<1>,1|O<1>}	N[5](C[5]C[5]O)(C[5]N[5]S)(H){1|C<3>,1|C<4>,1|H<1>}	S(C[5]N[5]2)	122.8010	0.661	4	123.4783	1.274	8	126.2058	3.960	41	126.2590	3.428	59	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:1:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:	C[5](N[5]C[5]C)(N[5]C[5]H)(S)	N[5](C[5]C[5]O)(C[5]N[5]S)(H)	S(C[5]N[5]2)	C[5](N[5]C[5]C)(N[5]C[5]H)(S){1|O<1>,2|C<4>}	N[5](C[5]C[5]O)(C[5]N[5]S)(H){3|C<4>}	S(C[5]N[5]2)	124.8380	1.430	2	123.4783	1.274	8	126.2058	3.960	41	126.2590	3.428	59	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:1:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:	C[5](N[5]C[5]C)(N[5]C[5]H)(S)	N[5](C[5]C[5]O)(C[5]N[5]S)(H)	S(C[5]N[5]2)	C[5](N[5]C[5]C)(N[5]C[5]H)(S){1|O<1>,2|H<1>}	N[5](C[5]C[5]O)(C[5]N[5]S)(H){1|C<3>,2|H<1>}	S(C[5]N[5]2)	123.5880	0.000	1	123.4783	1.274	8	126.2058	3.960	41	126.2590	3.428	59	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:1:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:	C[5](N[5]C[5]H)(N[5]N[5]C)(S)	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(H)	S(C[5]N[5]2)	C[5](N[5]C[5]H)(N[5]N[5]C)(S){1|C<3>}	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(H){1|C<4>,2|C<3>}	S(C[5]N[5]2)	126.9230	0.000	1	126.9230	0.000	1	126.2058	3.960	41	126.2590	3.428	59	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:1:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:	C[5](N[5]C[5]H)(N[5]N[5]H)(S)	N[5](C[5]C[5a]N[5])(C[5]N[5]S)(H)	S(C[5]N[5]2)	C[5](N[5]C[5]H)(N[5]N[5]H)(S){1|C<3>}	N[5](C[5]C[5a]N[5])(C[5]N[5]S)(H){1|C<3>,1|H<1>,1|O<2>}	S(C[5]N[5]2)	128.4020	0.000	1	128.4020	0.000	1	126.2058	3.960	41	126.2590	3.428	59	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:1:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:	C[5](N[5]C[5]H)(N[5]N[5]H)(S)	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(H)	S(C[5]N[5]2)	C[5](N[5]C[5]H)(N[5]N[5]H)(S){1|C<3>}	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(H){1|H<1>,2|C<3>}	S(C[5]N[5]2)	127.9920	0.038	2	127.9920	0.001	2	126.2058	3.960	41	126.2590	3.428	59	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:1:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:	C[5](N[5]C[5]H)(N[5]N[5]H)(S)	N[5](C[5]N[5]C)(C[5]N[5]S)(H)	S(C[5]N[5]2)	C[5](N[5]C[5]H)(N[5]N[5]H)(S){1|C<4>}	N[5](C[5]N[5]C)(C[5]N[5]S)(H){1|H<1>}	S(C[5]N[5]2)	127.7480	0.000	1	127.7480	0.000	1	126.2058	3.960	41	126.2590	3.428	59	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:1:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:	C[5](N[5]C[5]H)(N[5]N[5]H)(S)	N[5](C[5]N[5]N)(C[5]N[5]S)(H)	S(C[5]N[5]2)	C[5](N[5]C[5]H)(N[5]N[5]H)(S){1|N<3>}	N[5](C[5]N[5]N)(C[5]N[5]S)(H){1|H<1>}	S(C[5]N[5]2)	127.9740	0.000	1	127.9740	0.000	1	126.2058	3.960	41	126.2590	3.428	59	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:1:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:	C[5](N[5]C[5]H)2(S)	N[5](C[5]C[5]H)(C[5]N[5]S)(H)	S(C[5]N[5]2)	C[5](N[5]C[5]H)2(S){1|C<3>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(H){1|C<3>,1|H<1>}	S(C[5]N[5]2)	126.3037	0.135	4	126.3037	0.018	4	126.2058	3.960	41	126.2590	3.428	59	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:1:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:	C[5](N[5]C[5]H)2(S)	N[5](C[5]C[5]O)(C[5]N[5]S)(H)	S(C[5]N[5]2)	C[5](N[5]C[5]H)2(S){1|C<4>,1|H<1>,1|O<1>}	N[5](C[5]C[5]O)(C[5]N[5]S)(H){1|C<4>,2|H<1>}	S(C[5]N[5]2)	124.3840	0.000	1	124.3797	0.004	3	126.2058	3.960	41	126.2590	3.428	59	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:1:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:	C[5](N[5]C[5]H)2(S)	N[5](C[5]C[5]O)(C[5]N[5]S)(H)	S(C[5]N[5]2)	C[5](N[5]C[5]H)2(S){1|O<1>,2|C<3>}	N[5](C[5]C[5]O)(C[5]N[5]S)(H){1|H<1>,2|C<3>}	S(C[5]N[5]2)	124.4400	0.000	1	124.3797	0.004	3	126.2058	3.960	41	126.2590	3.428	59	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:1:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:	C[5](N[5]C[5]H)2(S)	N[5](C[5]C[5]O)(C[5]N[5]S)(H)	S(C[5]N[5]2)	C[5](N[5]C[5]H)2(S){1|O<1>,2|H<1>}	N[5](C[5]C[5]O)(C[5]N[5]S)(H){3|H<1>}	S(C[5]N[5]2)	124.3150	0.000	1	124.3797	0.004	3	126.2058	3.960	41	126.2590	3.428	59	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:1:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:	C[5](N[5]C[5]H)2(S)	N[5](C[5]C[5]S)(C[5]N[5]S)(H)	S(C[5]N[5]2)	C[5](N[5]C[5]H)2(S){1|S<1>,2|C<4>}	N[5](C[5]C[5]S)(C[5]N[5]S)(H){1|H<1>,2|C<4>}	S(C[5]N[5]2)	124.1340	0.000	1	124.1340	0.000	1	126.2058	3.960	41	126.2590	3.428	59	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:1:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:	C[5](N[5]C[5]H)2(S)	N[5](C[5]C[6a]C[5])(C[5]N[5]S)(H)	S(C[5]N[5]2)	C[5](N[5]C[5]H)2(S){1|C<3>,1|H<1>}	N[5](C[5]C[6a]C[5])(C[5]N[5]S)(H){2|C<3>,2|H<1>}	S(C[5]N[5]2)	128.2977	0.563	3	128.2977	0.317	3	126.2058	3.960	41	126.2590	3.428	59	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:1:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:	C[5](N[5]C[6a]C[5])(N[5]C[5]H)(S)	N[5](C[5]C[5]H)(C[5]N[5]S)(H)	S(C[5]N[5]2)	C[5](N[5]C[6a]C[5])(N[5]C[5]H)(S){2|C<3>,2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(H){1|C<3>,1|H<1>}	S(C[5]N[5]2)	127.9537	0.891	6	127.9537	0.794	6	126.2058	3.960	41	126.2590	3.428	59	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:1:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:	C[5](N[5]C[6a]C[5])(N[5]C[5]H)(S)	N[5](C[5]C[6a]C[5])(C[5]N[5]S)(H)	S(C[5]N[5]2)	C[5](N[5]C[6a]C[5])(N[5]C[5]H)(S){1|C<4>,3|C<3>}	N[5](C[5]C[6a]C[5])(C[5]N[5]S)(H){1|C<4>,3|C<3>}	S(C[5]N[5]2)	128.2500	0.000	1	128.2500	0.000	1	126.2058	3.960	41	126.2590	3.428	59	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:1:	3:	N[5]-3:N[5]-3:S-1:	N[5]-3:C[5]-3:H-1:	C[5]-3:	C[5](N[5]N[5]H)2(S)	N[5](N[5]C[6a]N[5])(C[5]N[5]S)(H)	S(C[5]N[5]2)	C[5](N[5]N[5]H)2(S){2|C<3>}	N[5](N[5]C[6a]N[5])(C[5]N[5]S)(H){1|H<1>,3|C<3>}	S(C[5]N[5]2)	125.5130	0.000	1	125.5130	0.000	1	125.5130	0.000	1	126.2590	3.428	59	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:2:	3:	C[5]-3:N[5]-3:S-1:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:	C[5](C[5]C[6a]N[5])(N[5]C[6a]N[5])(S)	N[5](C[6a]C[6a]2)(C[5]C[5]S)(N[5]N[5])	S(C[5]C[5]N[5])	C[5](C[5]C[6a]N[5])(N[5]C[6a]N[5])(S){1|C<4>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]S)(N[5]N[5]){3|C<3>,3|C<4>}	S(C[5]C[5]N[5])	125.1210	0.000	1	125.1210	0.000	1	125.1210	0.000	1	130.0362	1.378	89	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:2:	3:	N[5]-3:N[5]-3:S-1:	C[5,6a]-3:C[5]-3:N-2:	C[5]-3:	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]N)(S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(NC)	S(C[5]N[5]2)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]N)(S){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(NC){1|C<4>,1|H<1>,2|C<3>}	S(C[5]N[5]2)	129.3620	0.000	1	129.3620	0.000	1	129.3620	0.000	1	130.0362	1.378	89	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:2:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:N-2:	C[5]-3:	C[5](N[5]C[5]N)(N[5]N[5]C)(S)	N[5](C[5]C[3x6]N[5])(C[5]N[5]S)(NC)	S(C[5]N[5]2)	C[5](N[5]C[5]N)(N[5]N[5]C)(S){1|C<4>}	N[5](C[5]C[3x6]N[5])(C[5]N[5]S)(NC){4|C<4>}	S(C[5]N[5]2)	129.5940	0.711	3	129.5940	0.505	3	130.1345	1.094	85	130.0362	1.378	89	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:2:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:N-2:	C[5]-3:	C[5](N[5]C[5]N)(N[5]N[5]C)(S)	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(NC)	S(C[5]N[5]2)	C[5](N[5]C[5]N)(N[5]N[5]C)(S){1|C<3>}	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(NC){1|C<4>,2|C<3>}	S(C[5]N[5]2)	129.9457	0.594	7	129.9457	0.353	7	130.1345	1.094	85	130.0362	1.378	89	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:2:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:N-2:	C[5]-3:	C[5](N[5]C[5]N)(N[5]N[5]C)(S)	N[5](C[5]N[5]C)(C[5]N[5]S)(NC)	S(C[5]N[5]2)	C[5](N[5]C[5]N)(N[5]N[5]C)(S){1|C<4>}	N[5](C[5]N[5]C)(C[5]N[5]S)(NC){1|C<4>}	S(C[5]N[5]2)	130.3440	0.576	12	130.3440	0.332	12	130.1345	1.094	85	130.0362	1.378	89	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:2:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:N-2:	C[5]-3:	C[5](N[5]C[5]N)(N[5]N[5]H)(S)	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(NC)	S(C[5]N[5]2)	C[5](N[5]C[5]N)(N[5]N[5]H)(S){1|C<3>}	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(NC){1|H<1>,2|C<3>}	S(C[5]N[5]2)	129.6037	1.105	13	129.6037	1.220	13	130.1345	1.094	85	130.0362	1.378	89	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:2:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:N-2:	C[5]-3:	C[5](N[5]C[5]N)(N[5]N[5]H)(S)	N[5](C[5]N[5]C)(C[5]N[5]S)(NC)	S(C[5]N[5]2)	C[5](N[5]C[5]N)(N[5]N[5]H)(S){1|C<4>}	N[5](C[5]N[5]C)(C[5]N[5]S)(NC){1|H<1>}	S(C[5]N[5]2)	130.2163	1.145	47	130.2163	1.312	47	130.1345	1.094	85	130.0362	1.378	89	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:2:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:N-2:	C[5]-3:	C[5](N[5]C[5]N)(N[5]N[5]H)(S)	N[5](C[5]N[5]H)(C[5]N[5]S)(NC)	S(C[5]N[5]2)	C[5](N[5]C[5]N)(N[5]N[5]H)(S){1|H<1>}	N[5](C[5]N[5]H)(C[5]N[5]S)(NC){1|H<1>}	S(C[5]N[5]2)	131.2967	0.454	3	131.2967	0.206	3	130.1345	1.094	85	130.0362	1.378	89	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:2:	3:	N[5]-3:N[5]-3:S-1:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:	C[5](N[5]C[6a]N[5])(N[5]N[5]B)(S)	N[5](C[6a]C[6a]2)(C[5]N[5]S)(N[5]N[5])	S(C[5]N[5]2)	C[5](N[5]C[6a]N[5])(N[5]N[5]B)(S){2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]S)(N[5]N[5]){1|B<4>,2|C<3>,2|H<1>}	S(C[5]N[5]2)	128.3570	0.000	1	128.3570	0.000	1	128.6510	0.173	2	130.0362	1.378	89	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:2:	3:	N[5]-3:N[5]-3:S-1:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:	C[5](N[5]C[6a]N[5])(N[5]N[5]H)(S)	N[5](C[6a]C[6a]2)(C[5]N[5]S)(N[5]N[5])	S(C[5]N[5]2)	C[5](N[5]C[6a]N[5])(N[5]N[5]H)(S){2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]S)(N[5]N[5]){1|F<1>,2|C<3>,2|H<1>}	S(C[5]N[5]2)	128.9450	0.000	1	128.9450	0.000	1	128.6510	0.173	2	130.0362	1.378	89	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(S)	N[5](C[5]C[5,6a]O)(C[5]C[5,6a]S)(C[6a]C[6a]2)	S(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(S){1|H<1>,1|O<1>,4|C<3>}	N[5](C[5]C[5,6a]O)(C[5]C[5,6a]S)(C[6a]C[6a]2){2|C<4>,4|C<3>}	S(C[5]C[5,6a]N[5])	126.6180	0.000	1	125.8995	1.032	2	125.8995	1.032	2	127.1811	3.402	146	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(S)	N[5](C[5]C[5,6a]O)(C[5]C[5,6a]S)(C[6a]C[6a]2)	S(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(S){1|N<2>,1|O<1>,4|C<3>}	N[5](C[5]C[5,6a]O)(C[5]C[5,6a]S)(C[6a]C[6a]2){2|H<1>,4|C<3>}	S(C[5]C[5,6a]N[5])	125.1810	0.000	1	125.8995	1.032	2	125.8995	1.032	2	127.1811	3.402	146	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:3:	3:	C[5]-3:N[5]-3:S-1:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5]C[6a]N[5])(N[5]C[6a]C[5])(S)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]S)	S(C[5]C[5]N[5])	C[5](C[5]C[6a]N[5])(N[5]C[6a]C[5])(S){1|C<4>,5|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]S){1|C<4>,2|H<1>,5|C<3>}	S(C[5]C[5]N[5])	123.3195	0.364	2	123.3195	0.133	2	123.3195	0.133	2	127.1811	3.402	146	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:3:	3:	C[5]-3:N[5]-3:S-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:	C[5](C[5]C[6a]S[5])(N[5]C[6a]C[5])(S)	N[5](C[6a]C[6a]2)(C[5]C[5]S)(C[5]S[5]N)	S(C[5]C[5]N[5])	C[5](C[5]C[6a]S[5])(N[5]C[6a]C[5])(S){1|N<3>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]S)(C[5]S[5]N){2|H<1>,3|C<3>}	S(C[5]C[5]N[5])	118.9220	0.312	3	118.9220	0.097	3	118.9220	0.097	3	127.1811	3.402	146	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:3:	3:	N[5]-3:C[5]-3:S-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]N)(S)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]C[5]S)	S(C[5]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[5]C[5]N)(S){1|H<1>,1|O<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]C[5]S){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	S(C[5]C[5]N[5])	128.4200	0.000	1	128.4200	0.000	1	126.4965	7.400	2	127.1811	3.402	146	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:3:	3:	N[5]-3:C[5]-3:S-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]S[5])(S)	N[5](C[6a]C[6a]2)(C[5]C[5]S)(C[5]S[5]S)	S(C[5]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[5]C[5]S[5])(S){1|S<1>,1|S<2>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]S)(C[5]S[5]S){2|H<1>,3|C<3>}	S(C[5]C[5]N[5])	124.5730	0.000	1	124.5730	0.000	1	126.4965	7.400	2	127.1811	3.402	146	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:3:	3:	N[5]-3:N[5]-3:S-1:	C[5,5]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](N[5]C[5,5]C[6a])2(S)	N[5](C[5,5]C[5,5]S[5])(C[6a]C[6a]2)(C[5]N[5]S)	S(C[5]N[5]2)	C[5](N[5]C[5,5]C[6a])2(S){2|S<2>,4|C<3>}	N[5](C[5,5]C[5,5]S[5])(C[6a]C[6a]2)(C[5]N[5]S){1|Ge<5>,1|S<2>,2|C<4>,3|C<3>}	S(C[5]N[5]2)	127.3233	0.442	4	127.3233	0.195	4	127.3233	0.195	4	127.1811	3.402	146	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:3:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-3:	C[5]-3:	C[5](N[5]C[5]C)(N[5]C[5]H)(S)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCH)	S(C[5]N[5]2)	C[5](N[5]C[5]C)(N[5]C[5]H)(S){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CCH){2|H<1>}	S(C[5]N[5]2)	126.9540	0.000	1	126.9540	0.000	1	128.2718	1.992	5	127.1811	3.402	146	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:3:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-3:	C[5]-3:	C[5](N[5]C[5]C)(N[5]C[5]H)(S)	N[5](C[5]C[5]H)(C[5]N[5]S)(COO)	S(C[5]N[5]2)	C[5](N[5]C[5]C)(N[5]C[5]H)(S){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(COO){2|H<1>}	S(C[5]N[5]2)	130.1210	0.000	1	130.1210	0.000	1	128.2718	1.992	5	127.1811	3.402	146	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:3:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-3:	C[5]-3:	C[5](N[5]C[5]C)2(S)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCH)	S(C[5]N[5]2)	C[5](N[5]C[5]C)2(S){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CCH){1|C<4>,1|H<1>}	S(C[5]N[5]2)	127.4260	0.191	2	127.4260	0.036	2	128.2718	1.992	5	127.1811	3.402	146	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:3:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-3:	C[5]-3:	C[5](N[5]C[5]C)2(S)	N[5](C[5]C[5]H)(C[5]N[5]S)(COO)	S(C[5]N[5]2)	C[5](N[5]C[5]C)2(S){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(COO){1|C<4>,1|H<1>}	S(C[5]N[5]2)	129.4320	0.000	1	129.4320	0.000	1	128.2718	1.992	5	127.1811	3.402	146	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:3:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:N-3:	C[5]-3:	C[5](N[5]C[5]H)(N[5]C[5]N)(S)	N[5](C[5]C[5]O)(C[5]N[5]S)(NCH)	S(C[5]N[5]2)	C[5](N[5]C[5]H)(N[5]C[5]N)(S){1|O<1>,2|H<1>}	N[5](C[5]C[5]O)(C[5]N[5]S)(NCH){3|H<1>}	S(C[5]N[5]2)	125.6440	0.000	1	125.6440	0.000	1	127.3325	0.510	35	127.1811	3.402	146	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:3:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:N-3:	C[5]-3:	C[5](N[5]C[5]N)(N[5]N[5]C)(S)	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(NHH)	S(C[5]N[5]2)	C[5](N[5]C[5]N)(N[5]N[5]C)(S){1|C<3>}	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(NHH){1|C<4>,2|C<3>}	S(C[5]N[5]2)	127.4153	0.369	3	127.4153	0.136	3	127.3325	0.510	35	127.1811	3.402	146	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:3:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:N-3:	C[5]-3:	C[5](N[5]C[5]N)(N[5]N[5]C)(S)	N[5](C[5]N[5]C)(C[5]N[5]S)(NHH)	S(C[5]N[5]2)	C[5](N[5]C[5]N)(N[5]N[5]C)(S){1|C<4>}	N[5](C[5]N[5]C)(C[5]N[5]S)(NHH){1|C<4>}	S(C[5]N[5]2)	127.2590	0.555	5	127.2590	0.308	5	127.3325	0.510	35	127.1811	3.402	146	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:3:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:N-3:	C[5]-3:	C[5](N[5]C[5]N)(N[5]N[5]C)(S)	N[5](C[5]N[5]H)(C[5]N[5]S)(NCH)	S(C[5]N[5]2)	C[5](N[5]C[5]N)(N[5]N[5]C)(S){1|H<1>}	N[5](C[5]N[5]H)(C[5]N[5]S)(NCH){1|C<4>}	S(C[5]N[5]2)	127.3375	0.118	2	127.3375	0.014	2	127.3325	0.510	35	127.1811	3.402	146	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:3:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:N-3:	C[5]-3:	C[5](N[5]C[5]N)(N[5]N[5]H)(S)	N[5](C[5]C[6]N[5])(C[5]N[5]S)(NHH)	S(C[5]N[5]2)	C[5](N[5]C[5]N)(N[5]N[5]H)(S){1|C<3>}	N[5](C[5]C[6]N[5])(C[5]N[5]S)(NHH){1|H<1>,2|C<3>}	S(C[5]N[5]2)	127.8050	0.409	2	127.8050	0.167	2	127.3325	0.510	35	127.1811	3.402	146	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:3:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:N-3:	C[5]-3:	C[5](N[5]C[5]N)(N[5]N[5]H)(S)	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(NCH)	S(C[5]N[5]2)	C[5](N[5]C[5]N)(N[5]N[5]H)(S){1|C<3>}	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(NCH){1|H<1>,2|C<3>}	S(C[5]N[5]2)	128.1100	0.000	1	128.1100	0.000	1	127.3325	0.510	35	127.1811	3.402	146	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:3:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:N-3:	C[5]-3:	C[5](N[5]C[5]N)(N[5]N[5]H)(S)	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(NHH)	S(C[5]N[5]2)	C[5](N[5]C[5]N)(N[5]N[5]H)(S){1|C<3>}	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(NHH){1|H<1>,2|C<3>}	S(C[5]N[5]2)	127.1175	1.154	6	127.1175	1.331	6	127.3325	0.510	35	127.1811	3.402	146	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:3:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:N-3:	C[5]-3:	C[5](N[5]C[5]N)(N[5]N[5]H)(S)	N[5](C[5]N[5]C)(C[5]N[5]S)(NCH)	S(C[5]N[5]2)	C[5](N[5]C[5]N)(N[5]N[5]H)(S){1|C<4>}	N[5](C[5]N[5]C)(C[5]N[5]S)(NCH){1|H<1>}	S(C[5]N[5]2)	127.7610	0.000	1	127.7610	0.000	1	127.3325	0.510	35	127.1811	3.402	146	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:3:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:N-3:	C[5]-3:	C[5](N[5]C[5]N)(N[5]N[5]H)(S)	N[5](C[5]N[5]C)(C[5]N[5]S)(NHH)	S(C[5]N[5]2)	C[5](N[5]C[5]N)(N[5]N[5]H)(S){1|C<4>}	N[5](C[5]N[5]C)(C[5]N[5]S)(NHH){1|H<1>}	S(C[5]N[5]2)	127.3088	0.529	12	127.3088	0.279	12	127.3325	0.510	35	127.1811	3.402	146	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:3:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:N-3:	C[5]-3:	C[5](N[5]C[5]N)(N[5]N[5]H)(S)	N[5](C[5]N[5a]N[5])(C[5]N[5]S)(NHH)	S(C[5]N[5]2)	C[5](N[5]C[5]N)(N[5]N[5]H)(S){1|N<3>}	N[5](C[5]N[5a]N[5])(C[5]N[5]S)(NHH){1|C<3>,1|H<1>,1|N<2>}	S(C[5]N[5]2)	127.3240	0.000	1	127.3240	0.000	1	127.3325	0.510	35	127.1811	3.402	146	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:3:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:N-3:	C[5]-3:	C[5](N[5]N[5]Sn)(N[5]C[5]N)(S)	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(NHH)	S(C[5]N[5]2)	C[5](N[5]N[5]Sn)(N[5]C[5]N)(S){1|C<3>}	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(NHH){1|Sn<4>,2|C<3>}	S(C[5]N[5]2)	128.5600	0.000	1	128.5600	0.000	1	127.3325	0.510	35	127.1811	3.402	146	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:3:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](N[5]C[6a]C[5])(N[5]C[5,6]C)(S)	N[5](C[5]C[5,6]C)(C[6a]C[6a]2)(C[5]N[5]S)	S(C[5]N[5]2)	C[5](N[5]C[6a]C[5])(N[5]C[5,6]C)(S){2|C<4>,3|C<3>}	N[5](C[5]C[5,6]C)(C[6a]C[6a]2)(C[5]N[5]S){2|C<3>,2|H<1>,3|C<4>}	S(C[5]N[5]2)	125.5500	0.000	1	125.5500	0.000	1	127.8647	0.650	23	127.1811	3.402	146	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:3:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](N[5]C[6a]C[5])(N[5]N[5]C)(S)	N[5](C[5]C[3x6]N[5])(C[6a]C[6a]2)(C[5]N[5]S)	S(C[5]N[5]2)	C[5](N[5]C[6a]C[5])(N[5]N[5]C)(S){1|C<4>,2|C<3>}	N[5](C[5]C[3x6]N[5])(C[6a]C[6a]2)(C[5]N[5]S){2|C<3>,2|H<1>,4|C<4>}	S(C[5]N[5]2)	127.5812	0.545	4	127.5812	0.297	4	127.8647	0.650	23	127.1811	3.402	146	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:3:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](N[5]C[6a]C[5])(N[5]N[5]C)(S)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]S)	S(C[5]N[5]2)	C[5](N[5]C[6a]C[5])(N[5]N[5]C)(S){3|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]S){1|C<4>,2|H<1>,4|C<3>}	S(C[5]N[5]2)	128.0680	0.000	1	128.0680	0.000	1	127.8647	0.650	23	127.1811	3.402	146	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:3:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](N[5]C[6a]C[5])(N[5]N[5]H)(S)	N[5](C[5]C[3x6]N[5])(C[6a]C[6a]2)(C[5]N[5]S)	S(C[5]N[5]2)	C[5](N[5]C[6a]C[5])(N[5]N[5]H)(S){1|C<4>,2|C<3>}	N[5](C[5]C[3x6]N[5])(C[6a]C[6a]2)(C[5]N[5]S){1|Br<1>,2|C<3>,2|H<1>,3|C<4>}	S(C[5]N[5]2)	126.7720	0.000	1	127.4430	0.900	2	127.8647	0.650	23	127.1811	3.402	146	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:3:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](N[5]C[6a]C[5])(N[5]N[5]H)(S)	N[5](C[5]C[3x6]N[5])(C[6a]C[6a]2)(C[5]N[5]S)	S(C[5]N[5]2)	C[5](N[5]C[6a]C[5])(N[5]N[5]H)(S){1|C<4>,2|C<3>}	N[5](C[5]C[3x6]N[5])(C[6a]C[6a]2)(C[5]N[5]S){2|C<3>,3|C<4>,3|H<1>}	S(C[5]N[5]2)	128.1140	0.000	1	127.4430	0.900	2	127.8647	0.650	23	127.1811	3.402	146	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:3:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](N[5]C[6a]C[5])(N[5]N[5]H)(S)	N[5](C[5]C[5a]N[5])(C[6a]C[6a]2)(C[5]N[5]S)	S(C[5]N[5]2)	C[5](N[5]C[6a]C[5])(N[5]N[5]H)(S){3|C<3>}	N[5](C[5]C[5a]N[5])(C[6a]C[6a]2)(C[5]N[5]S){1|O<2>,3|C<3>,3|H<1>}	S(C[5]N[5]2)	127.4863	0.103	3	127.4863	0.011	3	127.8647	0.650	23	127.1811	3.402	146	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:3:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](N[5]C[6a]C[5])(N[5]N[5]H)(S)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]S)	S(C[5]N[5]2)	C[5](N[5]C[6a]C[5])(N[5]N[5]H)(S){3|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]S){1|N<2>,3|C<3>,3|H<1>}	S(C[5]N[5]2)	128.1755	0.453	2	128.3000	0.336	12	127.8647	0.650	23	127.1811	3.402	146	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:3:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](N[5]C[6a]C[5])(N[5]N[5]H)(S)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]S)	S(C[5]N[5]2)	C[5](N[5]C[6a]C[5])(N[5]N[5]H)(S){3|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]S){1|O<2>,2|H<1>,4|C<3>}	S(C[5]N[5]2)	127.8110	0.000	1	128.3000	0.336	12	127.8647	0.650	23	127.1811	3.402	146	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:3:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](N[5]C[6a]C[5])(N[5]N[5]H)(S)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]S)	S(C[5]N[5]2)	C[5](N[5]C[6a]C[5])(N[5]N[5]H)(S){3|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]S){3|H<1>,4|C<3>}	S(C[5]N[5]2)	128.3820	0.629	9	128.3000	0.336	12	127.8647	0.650	23	127.1811	3.402	146	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:3:	3:	N[5]-3:N[5]-3:S-1:	C[5a]-3:C[5]-3:C[5]-3:	C[5]-3:	C[5](N[5]C[5a]C[5])(N[5]C[5]C)(S)	N[5](C[5a]N[5a]2)(C[5]C[5]H)(C[5]N[5]S)	S(C[5]N[5]2)	C[5](N[5]C[5a]C[5])(N[5]C[5]C)(S){1|N<2>,1|N<3>,2|H<1>}	N[5](C[5a]N[5a]2)(C[5]C[5]H)(C[5]N[5]S){1|C<4>,2|C<3>,2|H<1>}	S(C[5]N[5]2)	127.4880	2.578	3	127.4880	6.644	3	127.4880	6.644	3	127.1811	3.402	146	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:3:	3:	N[5]-3:N[5]-3:S-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:	C[5](N[5]C[6a]C[5])(N[5]C[5]B)(S)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S)	S(C[5]N[5]2)	C[5](N[5]C[6a]C[5])(N[5]C[5]B)(S){2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S){1|B<4>,2|C<3>,3|H<1>}	S(C[5]N[5]2)	123.3655	0.566	6	123.3655	0.320	6	127.3075	2.627	67	127.1811	3.402	146	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:3:	3:	N[5]-3:N[5]-3:S-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(S)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]S)	S(C[5]N[5]2)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(S){1|C<3>,1|N<2>,2|H<1>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]S){1|C<4>,2|C<3>,2|H<1>}	S(C[5]N[5]2)	128.9350	0.373	2	128.9350	0.139	2	127.3075	2.627	67	127.1811	3.402	146	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:3:	3:	N[5]-3:N[5]-3:S-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:	C[5](N[5]C[6a]C[5])(N[5]C[5]H)(S)	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]S)	S(C[5]N[5]2)	C[5](N[5]C[6a]C[5])(N[5]C[5]H)(S){1|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]S){3|C<3>,3|H<1>}	S(C[5]N[5]2)	127.0610	0.000	1	127.0610	0.000	1	127.3075	2.627	67	127.1811	3.402	146	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:3:	3:	N[5]-3:N[5]-3:S-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:	C[5](N[5]C[6a]C[5])(N[5]C[5]H)(S)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S)	S(C[5]N[5]2)	C[5](N[5]C[6a]C[5])(N[5]C[5]H)(S){2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S){1|N<3>,2|C<3>,3|H<1>}	S(C[5]N[5]2)	126.9610	0.000	2	127.0287	0.772	6	127.3075	2.627	67	127.1811	3.402	146	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:3:	3:	N[5]-3:N[5]-3:S-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:	C[5](N[5]C[6a]C[5])(N[5]C[5]H)(S)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S)	S(C[5]N[5]2)	C[5](N[5]C[6a]C[5])(N[5]C[5]H)(S){2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S){2|C<3>,4|H<1>}	S(C[5]N[5]2)	128.0430	0.000	2	127.0287	0.772	6	127.3075	2.627	67	127.1811	3.402	146	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:3:	3:	N[5]-3:N[5]-3:S-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:	C[5](N[5]C[6a]C[5])(N[5]C[5]H)(S)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S)	S(C[5]N[5]2)	C[5](N[5]C[6a]C[5])(N[5]C[5]H)(S){2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S){2|Cl<1>,2|C<3>,2|H<1>}	S(C[5]N[5]2)	126.0820	0.000	2	127.0287	0.772	6	127.3075	2.627	67	127.1811	3.402	146	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:3:	3:	N[5]-3:N[5]-3:S-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:	C[5](N[5]C[6a]C[5])(N[5]C[5]H)(S)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]S)	S(C[5]N[5]2)	C[5](N[5]C[6a]C[5])(N[5]C[5]H)(S){1|C<4>,1|O<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]S){1|C<4>,3|C<3>,3|H<1>}	S(C[5]N[5]2)	125.5920	0.000	1	125.5920	0.000	1	127.3075	2.627	67	127.1811	3.402	146	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:3:	3:	N[5]-3:N[5]-3:S-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:	C[5](N[5]C[6a]C[5])(N[5]N[5]H)(S)	N[5](C[6a]C[6a]2)(C[5]N[5]C)(C[5]N[5]S)	S(C[5]N[5]2)	C[5](N[5]C[6a]C[5])(N[5]N[5]H)(S){1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]C)(C[5]N[5]S){1|O<2>,2|C<3>,2|H<1>}	S(C[5]N[5]2)	128.1867	0.363	3	128.2793	0.405	17	127.3075	2.627	67	127.1811	3.402	146	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:3:	3:	N[5]-3:N[5]-3:S-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:	C[5](N[5]C[6a]C[5])(N[5]N[5]H)(S)	N[5](C[6a]C[6a]2)(C[5]N[5]C)(C[5]N[5]S)	S(C[5]N[5]2)	C[5](N[5]C[6a]C[5])(N[5]N[5]H)(S){1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]C)(C[5]N[5]S){2|C<3>,3|H<1>}	S(C[5]N[5]2)	128.2991	0.689	14	128.2793	0.405	17	127.3075	2.627	67	127.1811	3.402	146	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:3:	3:	N[5]-3:N[5]-3:S-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:	C[5](N[5]C[6a]C[5])2(S)	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]S)	S(C[5]N[5]2)	C[5](N[5]C[6a]C[5])2(S){2|C<4>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]S){3|C<3>,3|C<4>}	S(C[5]N[5]2)	127.5115	0.432	2	127.5115	0.187	2	127.3075	2.627	67	127.1811	3.402	146	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:3:	3:	N[5]-3:N[5]-3:S-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:	C[5](N[5]C[6a]C[5])2(S)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S)	S(C[5]N[5]2)	C[5](N[5]C[6a]C[5])2(S){1|H<1>,1|P<3>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S){1|P<3>,2|C<4>,3|C<3>}	S(C[5]N[5]2)	126.6100	0.000	1	127.5622	2.093	18	127.3075	2.627	67	127.1811	3.402	146	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:3:	3:	N[5]-3:N[5]-3:S-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:	C[5](N[5]C[6a]C[5])2(S)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S)	S(C[5]N[5]2)	C[5](N[5]C[6a]C[5])2(S){1|H<1>,1|P<3>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S){1|P<3>,2|H<1>,3|C<3>}	S(C[5]N[5]2)	128.2310	0.000	1	127.5622	2.093	18	127.3075	2.627	67	127.1811	3.402	146	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:3:	3:	N[5]-3:N[5]-3:S-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:	C[5](N[5]C[6a]C[5])2(S)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S)	S(C[5]N[5]2)	C[5](N[5]C[6a]C[5])2(S){1|H<1>,1|P<4>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S){1|P<4>,2|H<1>,3|C<3>}	S(C[5]N[5]2)	128.2223	0.634	3	127.5622	2.093	18	127.3075	2.627	67	127.1811	3.402	146	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:3:	3:	N[5]-3:N[5]-3:S-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:	C[5](N[5]C[6a]C[5])2(S)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S)	S(C[5]N[5]2)	C[5](N[5]C[6a]C[5])2(S){1|Li<4>,1|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S){1|Li<4>,2|C<4>,3|C<3>}	S(C[5]N[5]2)	126.8280	0.000	1	127.5622	2.093	18	127.3075	2.627	67	127.1811	3.402	146	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:3:	3:	N[5]-3:N[5]-3:S-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:	C[5](N[5]C[6a]C[5])2(S)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S)	S(C[5]N[5]2)	C[5](N[5]C[6a]C[5])2(S){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S){1|H<1>,2|C<4>,3|C<3>}	S(C[5]N[5]2)	127.3618	1.827	10	127.5622	2.093	18	127.3075	2.627	67	127.1811	3.402	146	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:3:	3:	N[5]-3:N[5]-3:S-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:	C[5](N[5]C[6a]C[5])2(S)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S)	S(C[5]N[5]2)	C[5](N[5]C[6a]C[5])2(S){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S){3|C<3>,3|H<1>}	S(C[5]N[5]2)	128.0830	0.762	2	127.5622	2.093	18	127.3075	2.627	67	127.1811	3.402	146	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:3:	3:	N[5]-3:N[5]-3:S-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:	C[5](N[5]C[6a]C[5])2(S)	N[5](C[6a]C[6a]2)(C[5]C[5]Li)(C[5]N[5]S)	S(C[5]N[5]2)	C[5](N[5]C[6a]C[5])2(S){1|Li<4>,1|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]Li)(C[5]N[5]S){1|H<1>,2|C<4>,3|C<3>}	S(C[5]N[5]2)	128.7910	0.000	1	128.7910	0.000	1	127.3075	2.627	67	127.1811	3.402	146	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:3:	3:	N[5]-3:N[5]-3:S-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:	C[5](N[5]C[6a]C[5])2(S)	N[5](C[6a]C[6a]2)(C[5]C[5]N)(C[5]N[5]S)	S(C[5]N[5]2)	C[5](N[5]C[6a]C[5])2(S){2|N<3>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]N)(C[5]N[5]S){1|N<3>,2|C<4>,3|C<3>}	S(C[5]N[5]2)	127.0770	0.397	4	127.0770	0.158	4	127.3075	2.627	67	127.1811	3.402	146	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:3:	3:	N[5]-3:N[5]-3:S-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:	C[5](N[5]C[6a]C[5])2(S)	N[5](C[6a]C[6a]2)(C[5]C[5]P)(C[5]N[5]S)	S(C[5]N[5]2)	C[5](N[5]C[6a]C[5])2(S){1|H<1>,1|P<3>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]P)(C[5]N[5]S){1|H<1>,2|C<4>,3|C<3>}	S(C[5]N[5]2)	128.5190	0.000	1	127.5469	0.434	7	127.3075	2.627	67	127.1811	3.402	146	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:3:	3:	N[5]-3:N[5]-3:S-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:	C[5](N[5]C[6a]C[5])2(S)	N[5](C[6a]C[6a]2)(C[5]C[5]P)(C[5]N[5]S)	S(C[5]N[5]2)	C[5](N[5]C[6a]C[5])2(S){1|H<1>,1|P<3>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]P)(C[5]N[5]S){3|C<3>,3|H<1>}	S(C[5]N[5]2)	127.4270	0.000	1	127.5469	0.434	7	127.3075	2.627	67	127.1811	3.402	146	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:3:	3:	N[5]-3:N[5]-3:S-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:	C[5](N[5]C[6a]C[5])2(S)	N[5](C[6a]C[6a]2)(C[5]C[5]P)(C[5]N[5]S)	S(C[5]N[5]2)	C[5](N[5]C[6a]C[5])2(S){1|H<1>,1|P<4>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]P)(C[5]N[5]S){3|C<3>,3|H<1>}	S(C[5]N[5]2)	127.1810	0.550	3	127.5469	0.434	7	127.3075	2.627	67	127.1811	3.402	146	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:3:	3:	N[5]-3:N[5]-3:S-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:	C[5](N[5]C[6a]C[5])2(S)	N[5](C[6a]C[6a]2)(C[5]C[5]P)(C[5]N[5]S)	S(C[5]N[5]2)	C[5](N[5]C[6a]C[5])2(S){2|P<4>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]P)(C[5]N[5]S){1|P<4>,2|H<1>,3|C<3>}	S(C[5]N[5]2)	127.6695	0.779	2	127.5469	0.434	7	127.3075	2.627	67	127.1811	3.402	146	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:3:	3:	N[5]-3:N[5]-3:S-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:	C[5](N[5]C[6a]C[5])2(S)	N[5](C[6a]C[6a]2)(C[5]C[5]S)(C[5]N[5]S)	S(C[5]N[5]2)	C[5](N[5]C[6a]C[5])2(S){2|S<2>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]S)(C[5]N[5]S){1|S<2>,2|C<4>,3|C<3>}	S(C[5]N[5]2)	127.4480	0.546	2	127.4480	0.298	2	127.3075	2.627	67	127.1811	3.402	146	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:4:	3:	C[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](C[5]C[5]S[5])(N[5]C[5]C)(S)	N[5](C[5]C[5]S)(C[5]S[5]C)(CCHH)	S(C[5]C[5]N[5])	C[5](C[5]C[5]S[5])(N[5]C[5]C)(S){1|S<2>,2|C<3>}	N[5](C[5]C[5]S)(C[5]S[5]C)(CCHH){1|C<3>}	S(C[5]C[5]N[5])	124.0545	0.483	4	124.0545	0.234	4	123.9075	0.190	20	126.6866	2.554	297	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:4:	3:	C[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](C[5]C[5]S[5])(N[5]C[5]C)(S)	N[5](C[5]C[5]S)(C[5]S[5]S)(CCHH)	S(C[5]C[5]N[5])	C[5](C[5]C[5]S[5])(N[5]C[5]C)(S){1|C<3>,1|S<1>,1|S<2>}	N[5](C[5]C[5]S)(C[5]S[5]S)(CCHH){1|C<3>}	S(C[5]C[5]N[5])	123.8831	0.460	14	123.8831	0.212	14	123.9075	0.190	20	126.6866	2.554	297	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:4:	3:	C[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](C[5]C[5]S[5])(N[5]C[5]C)(S)	N[5](C[5]C[5]S)(C[5]S[5]S)(CC[6a]HH)	S(C[5]C[5]N[5])	C[5](C[5]C[5]S[5])(N[5]C[5]C)(S){1|C<3>,1|S<1>,1|S<2>}	N[5](C[5]C[5]S)(C[5]S[5]S)(CC[6a]HH){1|C<3>}	S(C[5]C[5]N[5])	123.9170	0.000	1	123.9170	0.000	1	123.9075	0.190	20	126.6866	2.554	297	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:4:	3:	C[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](C[5]C[5]S[5])(N[5]C[5]C)(S)	N[5](C[5]C[5]S)(C[5]S[5]S)(CH3)	S(C[5]C[5]N[5])	C[5](C[5]C[5]S[5])(N[5]C[5]C)(S){1|C<3>,1|S<1>,1|S<2>}	N[5](C[5]C[5]S)(C[5]S[5]S)(CH3){1|C<3>}	S(C[5]C[5]N[5])	123.6530	0.000	1	123.6530	0.000	1	123.9075	0.190	20	126.6866	2.554	297	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:4:	3:	N[5,5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](N[5,5]C[5,5]C[5])(N[5]C[5]C)(S)	N[5](C[5]C[5,5]O)(C[5]N[5,5]S)(CC[6a]HH)	S(C[5]N[5,5]N[5])	C[5](N[5,5]C[5,5]C[5])(N[5]C[5]C)(S){1|O<1>,1|S<2>,2|C<4>,2|H<1>}	N[5](C[5]C[5,5]O)(C[5]N[5,5]S)(CC[6a]HH){1|H<1>,2|C<4>}	S(C[5]N[5,5]N[5])	125.9230	0.000	1	125.9230	0.000	1	125.9230	0.000	1	126.6866	2.554	297	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:4:	3:	N[5,6a]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](N[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(S)	N[5](C[5]C[5,6a]H)(C[5]N[5,6a]S)(CC[6a]HH)	S(C[5]N[5,6a]N[5])	C[5](N[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(S){2|C<3>,2|H<1>}	N[5](C[5]C[5,6a]H)(C[5]N[5,6a]S)(CC[6a]HH){2|C<3>}	S(C[5]N[5,6a]N[5])	128.4950	0.010	3	128.4950	0.000	3	128.4950	0.000	3	126.6866	2.554	297	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:4:	3:	N[5]-3:N[5]-3:S-1:	C[5,6]-3:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5,6]C)2(S)	N[5](C[5,6]C[5,6]P[6])(C[5]N[5]S)(CCHH)	S(C[5]N[5]2)	C[5](N[5]C[5,6]C)2(S){2|P<3>}	N[5](C[5,6]C[5,6]P[6])(C[5]N[5]S)(CCHH){1|Al<4>,1|C<3>,1|C<4>,1|P<3>}	S(C[5]N[5]2)	127.0293	0.304	4	127.2884	0.179	12	127.2884	0.179	12	126.6866	2.554	297	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:4:	3:	N[5]-3:N[5]-3:S-1:	C[5,6]-3:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5,6]C)2(S)	N[5](C[5,6]C[5,6]P[6])(C[5]N[5]S)(CCHH)	S(C[5]N[5]2)	C[5](N[5]C[5,6]C)2(S){2|P<3>}	N[5](C[5,6]C[5,6]P[6])(C[5]N[5]S)(CCHH){1|C<3>,1|C<4>,1|P<3>,1|S<2>}	S(C[5]N[5]2)	127.3897	0.421	4	127.2884	0.179	12	127.2884	0.179	12	126.6866	2.554	297	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:4:	3:	N[5]-3:N[5]-3:S-1:	C[5,6]-3:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5,6]C)2(S)	N[5](C[5,6]C[5,6]P[6])(C[5]N[5]S)(CCHH)	S(C[5]N[5]2)	C[5](N[5]C[5,6]C)2(S){2|P<3>}	N[5](C[5,6]C[5,6]P[6])(C[5]N[5]S)(CCHH){1|Se<2>,1|C<3>,1|C<4>,1|P<3>}	S(C[5]N[5]2)	127.4462	0.501	4	127.2884	0.179	12	127.2884	0.179	12	126.6866	2.554	297	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:4:	3:	N[5]-3:N[5]-3:S-1:	C[5,6a]-3:C[5]-3:B-4:	C[5]-3:	C[5](N[5]C[5,6a]B)(N[5]C[5,6a]C)(S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(BN[5]2H)	S(C[5]N[5]2)	C[5](N[5]C[5,6a]B)(N[5]C[5,6a]C)(S){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(BN[5]2H){1|C<4>,1|H<1>,2|C<3>}	S(C[5]N[5]2)	127.4475	2.713	4	127.4475	7.358	4	127.4475	7.358	4	126.6866	2.554	297	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:4:	3:	N[5]-3:N[5]-3:S-1:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5,6a]B)(N[5]C[5,6a]C)(S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CC3)	S(C[5]N[5]2)	C[5](N[5]C[5,6a]B)(N[5]C[5,6a]C)(S){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CC3){1|B<4>,1|H<1>,2|C<3>}	S(C[5]N[5]2)	127.6180	0.000	1	127.6180	0.000	1	126.1508	3.769	16	126.6866	2.554	297	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:4:	3:	N[5]-3:N[5]-3:S-1:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5,6a]B)(N[5]C[5,6a]C)(S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CH3)	S(C[5]N[5]2)	C[5](N[5]C[5,6a]B)(N[5]C[5,6a]C)(S){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CH3){1|B<4>,1|H<1>,2|C<3>}	S(C[5]N[5]2)	123.3307	0.434	3	123.3307	0.188	3	126.1508	3.769	16	126.6866	2.554	297	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:4:	3:	N[5]-3:N[5]-3:S-1:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CC3)	S(C[5]N[5]2)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(S){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CC3){2|C<3>,2|H<1>}	S(C[5]N[5]2)	130.6560	0.000	1	130.6560	0.000	1	126.1508	3.769	16	126.6866	2.554	297	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:4:	3:	N[5]-3:N[5]-3:S-1:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CCHH)	S(C[5]N[5]2)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(S){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CCHH){1|C<4>,1|H<1>,2|C<3>}	S(C[5]N[5]2)	126.2810	0.000	1	126.2810	0.000	1	126.1508	3.769	16	126.6866	2.554	297	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:4:	3:	N[5]-3:N[5]-3:S-1:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]N)(S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CCHH)	S(C[5]N[5]2)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]N)(S){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CCHH){1|H<1>,1|N<2>,2|C<3>}	S(C[5]N[5]2)	125.3460	0.000	1	125.3460	0.000	1	126.1508	3.769	16	126.6866	2.554	297	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:4:	3:	N[5]-3:N[5]-3:S-1:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5,6a]C)2(S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CCCH)	S(C[5]N[5]2)	C[5](N[5]C[5,6a]C)2(S){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CCCH){1|C<4>,1|H<1>,2|C<3>}	S(C[5]N[5]2)	127.8370	0.185	2	127.8370	0.034	2	126.1508	3.769	16	126.6866	2.554	297	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:4:	3:	N[5]-3:N[5]-3:S-1:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5,6a]C)2(S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CCHH)	S(C[5]N[5]2)	C[5](N[5]C[5,6a]C)2(S){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CCHH){1|C<4>,1|H<1>,2|C<3>}	S(C[5]N[5]2)	126.2338	0.866	5	126.2338	0.749	5	126.1508	3.769	16	126.6866	2.554	297	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:4:	3:	N[5]-3:N[5]-3:S-1:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5,6a]C[6])(N[5]C[5,6a]C)(S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CC[5]HH)	S(C[5]N[5]2)	C[5](N[5]C[5,6a]C[6])(N[5]C[5,6a]C)(S){1|H<1>,2|C<3>,2|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CC[5]HH){1|C<4>,1|H<1>,2|C<3>}	S(C[5]N[5]2)	125.8380	0.482	2	125.8380	0.233	2	126.1508	3.769	16	126.6866	2.554	297	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:4:	3:	N[5]-3:N[5]-3:S-1:	C[5,6a]-3:C[5]-3:Si-4:	C[5]-3:	C[5](N[5]C[5,6a]Si)(N[5]C[5,6a]H)(S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(SiC3)	S(C[5]N[5]2)	C[5](N[5]C[5,6a]Si)(N[5]C[5,6a]H)(S){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(SiC3){2|C<3>,2|H<1>}	S(C[5]N[5]2)	126.9005	0.330	2	126.9005	0.109	2	125.9308	1.306	4	126.6866	2.554	297	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:4:	3:	N[5]-3:N[5]-3:S-1:	C[5,6a]-3:C[5]-3:Si-4:	C[5]-3:	C[5](N[5]C[5,6a]Si)2(S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(SiC3)	S(C[5]N[5]2)	C[5](N[5]C[5,6a]Si)2(S){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(SiC3){1|Si<4>,1|H<1>,2|C<3>}	S(C[5]N[5]2)	124.9610	0.221	2	124.9610	0.049	2	125.9308	1.306	4	126.6866	2.554	297	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:4:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:B-4:	C[5]-3:	C[5](N[5]C[5]B)(N[5]C[5]C)(S)	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2C)	S(C[5]N[5]2)	C[5](N[5]C[5]B)(N[5]C[5]C)(S){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2C){1|C<4>,1|H<1>}	S(C[5]N[5]2)	127.1870	0.000	1	127.1870	0.000	1	126.9528	3.664	34	126.6866	2.554	297	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:4:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:B-4:	C[5]-3:	C[5](N[5]C[5]B)(N[5]C[5]C)(S)	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2H)	S(C[5]N[5]2)	C[5](N[5]C[5]B)(N[5]C[5]C)(S){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2H){1|C<4>,1|H<1>}	S(C[5]N[5]2)	126.5729	1.669	20	126.5729	2.786	20	126.9528	3.664	34	126.6866	2.554	297	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:4:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:B-4:	C[5]-3:	C[5](N[5]C[5]B)(N[5]C[5]C)(S)	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2O)	S(C[5]N[5]2)	C[5](N[5]C[5]B)(N[5]C[5]C)(S){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2O){1|C<4>,1|H<1>}	S(C[5]N[5]2)	125.0390	0.505	2	125.0390	0.255	2	126.9528	3.664	34	126.6866	2.554	297	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:4:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:B-4:	C[5]-3:	C[5](N[5]C[5]B)(N[5]C[5]C)(S)	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]HH)	S(C[5]N[5]2)	C[5](N[5]C[5]B)(N[5]C[5]C)(S){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]HH){1|C<4>,1|H<1>}	S(C[5]N[5]2)	126.2604	2.144	5	126.2604	4.595	5	126.9528	3.664	34	126.6866	2.554	297	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:4:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:B-4:	C[5]-3:	C[5](N[5]C[6a]C[5])(N[5]C[5]B)(S)	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2H)	S(C[5]N[5]2)	C[5](N[5]C[6a]C[5])(N[5]C[5]B)(S){2|C<3>,2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2H){1|C<3>,1|H<1>}	S(C[5]N[5]2)	129.3952	0.425	6	129.3952	0.180	6	126.9528	3.664	34	126.6866	2.554	297	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:4:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](N[5]B[5a]C[5])(N[5]C[5]C)(S)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	S(C[5]N[5]2)	C[5](N[5]B[5a]C[5])(N[5]C[5]C)(S){1|C<3>,2|H<1>,2|N<3>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|B<4>,1|H<1>}	S(C[5]N[5]2)	124.9250	0.231	2	124.9250	0.053	2	126.9127	1.727	195	126.6866	2.554	297	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:4:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[3]C[5])(N[5]C[5]C)(S)	N[5](C[5]C[5]C)(C[5]N[5]S)(CC[6a]HH)	S(C[5]N[5]2)	C[5](N[5]C[3]C[5])(N[5]C[5]C)(S){1|H<1>,4|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]S)(CC[6a]HH){2|C<4>}	S(C[5]N[5]2)	126.4730	0.000	1	126.4730	0.000	1	126.9127	1.727	195	126.6866	2.554	297	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:4:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5,5,6]H)(N[5]C[5]C)(S)	N[5](C[5]C[5,5,6]O)(C[5]N[5]S)(CC[6a]HH)	S(C[5]N[5]2)	C[5](N[5]C[5,5,6]H)(N[5]C[5]C)(S){1|O<1>,2|C<4>}	N[5](C[5]C[5,5,6]O)(C[5]N[5]S)(CC[6a]HH){1|H<1>,2|C<4>}	S(C[5]N[5]2)	125.2370	0.000	1	125.2370	0.000	1	126.9127	1.727	195	126.6866	2.554	297	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:4:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5,5]C)(N[5]C[5]C)(S)	N[5](C[5]C[5,5]S)(C[5]N[5]S)(CCCH)	S(C[5]N[5]2)	C[5](N[5]C[5,5]C)(N[5]C[5]C)(S){1|S<1>,2|N<3>}	N[5](C[5]C[5,5]S)(C[5]N[5]S)(CCCH){1|C<4>,2|N<3>}	S(C[5]N[5]2)	123.7170	0.000	1	123.7170	0.000	1	126.9127	1.727	195	126.6866	2.554	297	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:4:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5]B)(N[5]C[5]C)(S)	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3)	S(C[5]N[5]2)	C[5](N[5]C[5]B)(N[5]C[5]C)(S){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3){1|B<4>,1|H<1>}	S(C[5]N[5]2)	127.5936	0.829	16	127.5936	0.687	16	126.9127	1.727	195	126.6866	2.554	297	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:4:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5]B)(N[5]C[5]C)(S)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	S(C[5]N[5]2)	C[5](N[5]C[5]B)(N[5]C[5]C)(S){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|B<4>,1|H<1>}	S(C[5]N[5]2)	124.7991	0.818	15	124.7991	0.670	15	126.9127	1.727	195	126.6866	2.554	297	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:4:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5]C)(N[5]C[5]H)(S)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCCH)	S(C[5]N[5]2)	C[5](N[5]C[5]C)(N[5]C[5]H)(S){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CCCH){1|C<4>,1|H<1>}	S(C[5]N[5]2)	127.0820	0.000	1	127.1493	0.093	3	126.9127	1.727	195	126.6866	2.554	297	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:4:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5]C)(N[5]C[5]H)(S)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCCH)	S(C[5]N[5]2)	C[5](N[5]C[5]C)(N[5]C[5]H)(S){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CCCH){2|H<1>}	S(C[5]N[5]2)	127.1830	0.423	2	127.1493	0.093	3	126.9127	1.727	195	126.6866	2.554	297	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:4:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5]C)(N[5]C[5]H)(S)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	S(C[5]N[5]2)	C[5](N[5]C[5]C)(N[5]C[5]H)(S){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){2|H<1>}	S(C[5]N[5]2)	127.7820	0.471	2	127.7820	0.222	2	126.9127	1.727	195	126.6866	2.554	297	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:4:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5]C)(N[5]C[5]H)(S)	N[5](C[5]C[5]O)(C[5]N[5]S)(CCHH)	S(C[5]N[5]2)	C[5](N[5]C[5]C)(N[5]C[5]H)(S){1|C<4>,1|H<1>,1|O<1>}	N[5](C[5]C[5]O)(C[5]N[5]S)(CCHH){1|C<4>,2|H<1>}	S(C[5]N[5]2)	124.7990	0.000	1	125.1902	0.151	5	126.9127	1.727	195	126.6866	2.554	297	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:4:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5]C)(N[5]C[5]H)(S)	N[5](C[5]C[5]O)(C[5]N[5]S)(CCHH)	S(C[5]N[5]2)	C[5](N[5]C[5]C)(N[5]C[5]H)(S){1|C<4>,1|N<3>,1|O<1>}	N[5](C[5]C[5]O)(C[5]N[5]S)(CCHH){1|C<4>,1|H<1>,1|N<3>}	S(C[5]N[5]2)	125.5265	0.047	2	125.1902	0.151	5	126.9127	1.727	195	126.6866	2.554	297	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:4:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5]C)(N[5]C[5]H)(S)	N[5](C[5]C[5]O)(C[5]N[5]S)(CCHH)	S(C[5]N[5]2)	C[5](N[5]C[5]C)(N[5]C[5]H)(S){1|O<1>,2|C<3>}	N[5](C[5]C[5]O)(C[5]N[5]S)(CCHH){1|H<1>,2|C<3>}	S(C[5]N[5]2)	125.3510	0.000	1	125.1902	0.151	5	126.9127	1.727	195	126.6866	2.554	297	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:4:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5]C)(N[5]C[5]H)(S)	N[5](C[5]C[5]O)(C[5]N[5]S)(CCHH)	S(C[5]N[5]2)	C[5](N[5]C[5]C)(N[5]C[5]H)(S){1|O<1>,2|H<1>}	N[5](C[5]C[5]O)(C[5]N[5]S)(CCHH){3|H<1>}	S(C[5]N[5]2)	124.7480	0.000	1	125.1902	0.151	5	126.9127	1.727	195	126.6866	2.554	297	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:4:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5]C)(N[5]C[5]H)(S)	N[5](C[5]C[5]O)(C[5]N[5]S)(CC[6a]HH)	S(C[5]N[5]2)	C[5](N[5]C[5]C)(N[5]C[5]H)(S){1|C<4>,1|H<1>,1|O<1>}	N[5](C[5]C[5]O)(C[5]N[5]S)(CC[6a]HH){1|C<4>,2|H<1>}	S(C[5]N[5]2)	125.2680	0.000	1	125.2120	0.006	2	126.9127	1.727	195	126.6866	2.554	297	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:4:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5]C)(N[5]C[5]H)(S)	N[5](C[5]C[5]O)(C[5]N[5]S)(CC[6a]HH)	S(C[5]N[5]2)	C[5](N[5]C[5]C)(N[5]C[5]H)(S){1|O<1>,2|H<1>}	N[5](C[5]C[5]O)(C[5]N[5]S)(CC[6a]HH){3|H<1>}	S(C[5]N[5]2)	125.1560	0.000	1	125.2120	0.006	2	126.9127	1.727	195	126.6866	2.554	297	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:4:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5]C)(N[5]N[5]B)(S)	N[5](C[5]N[5]C)(C[5]N[5]S)(CCHH)	S(C[5]N[5]2)	C[5](N[5]C[5]C)(N[5]N[5]B)(S){1|C<4>}	N[5](C[5]N[5]C)(C[5]N[5]S)(CCHH){1|B<4>}	S(C[5]N[5]2)	126.2343	0.977	6	126.2343	0.954	6	126.9127	1.727	195	126.6866	2.554	297	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:4:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5]C)(N[5]N[5]C)(S)	N[5](C[5]C[3x6]N[5])(C[5]N[5]S)(CCHH)	S(C[5]N[5]2)	C[5](N[5]C[5]C)(N[5]N[5]C)(S){1|C<4>}	N[5](C[5]C[3x6]N[5])(C[5]N[5]S)(CCHH){4|C<4>}	S(C[5]N[5]2)	127.8870	0.290	2	127.8870	0.084	2	126.9127	1.727	195	126.6866	2.554	297	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:4:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5]C)(N[5]N[5]C)(S)	N[5](C[5]C[3x6]N[5])(C[5]N[5]S)(CH3)	S(C[5]N[5]2)	C[5](N[5]C[5]C)(N[5]N[5]C)(S){1|C<4>}	N[5](C[5]C[3x6]N[5])(C[5]N[5]S)(CH3){4|C<4>}	S(C[5]N[5]2)	127.3220	0.444	3	127.3220	0.197	3	126.9127	1.727	195	126.6866	2.554	297	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:4:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5]C)(N[5]N[5]C)(S)	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(CCHH)	S(C[5]N[5]2)	C[5](N[5]C[5]C)(N[5]N[5]C)(S){1|C<3>}	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(CCHH){1|C<4>,2|C<3>}	S(C[5]N[5]2)	127.1300	0.290	2	127.1300	0.084	2	126.9127	1.727	195	126.6866	2.554	297	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:4:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5]C)(N[5]N[5]C)(S)	N[5](C[5]N[5]H)(C[5]N[5]S)(CCHH)	S(C[5]N[5]2)	C[5](N[5]C[5]C)(N[5]N[5]C)(S){1|Co<6>,1|H<1>}	N[5](C[5]N[5]H)(C[5]N[5]S)(CCHH){1|Co<6>,1|C<4>}	S(C[5]N[5]2)	127.4280	0.000	1	127.4280	0.000	1	126.9127	1.727	195	126.6866	2.554	297	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:4:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5]C)(N[5]N[5]H)(S)	N[5](C[5]C[3x6]N[5])(C[5]N[5]S)(CCHH)	S(C[5]N[5]2)	C[5](N[5]C[5]C)(N[5]N[5]H)(S){1|C<4>}	N[5](C[5]C[3x6]N[5])(C[5]N[5]S)(CCHH){1|H<1>,3|C<4>}	S(C[5]N[5]2)	127.9745	0.482	2	127.9745	0.232	2	126.9127	1.727	195	126.6866	2.554	297	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:4:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5]C)(N[5]N[5]H)(S)	N[5](C[5]C[3x6]N[5])(C[5]N[5]S)(CC[6a]HH)	S(C[5]N[5]2)	C[5](N[5]C[5]C)(N[5]N[5]H)(S){1|C<4>}	N[5](C[5]C[3x6]N[5])(C[5]N[5]S)(CC[6a]HH){1|H<1>,3|C<4>}	S(C[5]N[5]2)	127.1920	0.000	1	127.1920	0.000	1	126.9127	1.727	195	126.6866	2.554	297	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:4:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5]C)(N[5]N[5]H)(S)	N[5](C[5]C[5a]N[5])(C[5]N[5]S)(CC[6a]HH)	S(C[5]N[5]2)	C[5](N[5]C[5]C)(N[5]N[5]H)(S){1|C<3>}	N[5](C[5]C[5a]N[5])(C[5]N[5]S)(CC[6a]HH){1|C<3>,1|H<1>,1|O<2>}	S(C[5]N[5]2)	127.7005	0.694	2	127.7250	0.242	3	126.9127	1.727	195	126.6866	2.554	297	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:4:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5]C)(N[5]N[5]H)(S)	N[5](C[5]C[5a]N[5])(C[5]N[5]S)(CC[6a]HH)	S(C[5]N[5]2)	C[5](N[5]C[5]C)(N[5]N[5]H)(S){1|C<3>}	N[5](C[5]C[5a]N[5])(C[5]N[5]S)(CC[6a]HH){1|C<3>,1|H<1>,1|S<2>}	S(C[5]N[5]2)	127.7740	0.000	1	127.7250	0.242	3	126.9127	1.727	195	126.6866	2.554	297	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:4:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5]C)(N[5]N[5]H)(S)	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(CCHH)	S(C[5]N[5]2)	C[5](N[5]C[5]C)(N[5]N[5]H)(S){1|C<3>}	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(CCHH){1|C<3>,1|H<1>,1|N<2>}	S(C[5]N[5]2)	128.0504	0.524	5	127.9374	0.242	7	126.9127	1.727	195	126.6866	2.554	297	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:4:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5]C)(N[5]N[5]H)(S)	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(CCHH)	S(C[5]N[5]2)	C[5](N[5]C[5]C)(N[5]N[5]H)(S){1|C<3>}	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(CCHH){1|H<1>,2|C<3>}	S(C[5]N[5]2)	127.6550	0.361	2	127.9374	0.242	7	126.9127	1.727	195	126.6866	2.554	297	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:4:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5]C)(N[5]N[5]H)(S)	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(CC[6a]HH)	S(C[5]N[5]2)	C[5](N[5]C[5]C)(N[5]N[5]H)(S){1|C<3>}	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(CC[6a]HH){1|C<3>,1|H<1>,1|N<2>}	S(C[5]N[5]2)	127.7242	0.511	4	127.6052	0.267	5	126.9127	1.727	195	126.6866	2.554	297	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:4:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5]C)(N[5]N[5]H)(S)	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(CC[6a]HH)	S(C[5]N[5]2)	C[5](N[5]C[5]C)(N[5]N[5]H)(S){1|C<3>}	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(CC[6a]HH){1|H<1>,2|C<3>}	S(C[5]N[5]2)	127.1290	0.000	1	127.6052	0.267	5	126.9127	1.727	195	126.6866	2.554	297	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:4:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5]C)(N[5]N[5]H)(S)	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(CH3)	S(C[5]N[5]2)	C[5](N[5]C[5]C)(N[5]N[5]H)(S){1|C<3>}	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(CH3){1|C<3>,1|H<1>,1|N<2>}	S(C[5]N[5]2)	127.5560	0.496	2	127.5560	0.246	2	126.9127	1.727	195	126.6866	2.554	297	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:4:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5]C)(N[5]N[5]H)(S)	N[5](C[5]N[5]C)(C[5]N[5]S)(CCHH)	S(C[5]N[5]2)	C[5](N[5]C[5]C)(N[5]N[5]H)(S){1|C<4>}	N[5](C[5]N[5]C)(C[5]N[5]S)(CCHH){1|H<1>}	S(C[5]N[5]2)	127.7560	1.287	3	127.7560	1.657	3	126.9127	1.727	195	126.6866	2.554	297	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:4:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5]C)2(S)	N[5](C[5]C[5]2)(C[5]N[5]S)(CCHH)	S(C[5]N[5]2)	C[5](N[5]C[5]C)2(S){1|C<3>,1|S<2>}	N[5](C[5]C[5]2)(C[5]N[5]S)(CCHH){1|C<3>,1|C<4>,1|N<3>,1|S<2>}	S(C[5]N[5]2)	126.1290	0.088	2	126.1290	0.008	2	126.9127	1.727	195	126.6866	2.554	297	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:4:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5]C)2(S)	N[5](C[5]C[5]C)(C[5]N[5]S)(CCCH)	S(C[5]N[5]2)	C[5](N[5]C[5]C)2(S){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]S)(CCCH){2|C<4>}	S(C[5]N[5]2)	125.7810	0.000	1	125.7810	0.000	1	126.9127	1.727	195	126.6866	2.554	297	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:4:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5]C)2(S)	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3)	S(C[5]N[5]2)	C[5](N[5]C[5]C)2(S){1|H<1>,1|P<4>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3){1|C<4>,1|P<4>}	S(C[5]N[5]2)	129.9115	0.368	2	129.9115	0.136	2	126.9127	1.727	195	126.6866	2.554	297	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:4:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5]C)2(S)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCCH)	S(C[5]N[5]2)	C[5](N[5]C[5]C)2(S){1|H<1>,1|P<4>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CCCH){1|C<4>,1|P<4>}	S(C[5]N[5]2)	127.0292	0.982	5	126.6923	1.452	6	126.9127	1.727	195	126.6866	2.554	297	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:4:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5]C)2(S)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCCH)	S(C[5]N[5]2)	C[5](N[5]C[5]C)2(S){1|H<1>,1|S<2>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CCCH){1|C<4>,1|S<2>}	S(C[5]N[5]2)	125.0080	0.000	1	126.6923	1.452	6	126.9127	1.727	195	126.6866	2.554	297	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:4:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5]C)2(S)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH)	S(C[5]N[5]2)	C[5](N[5]C[5]C)2(S){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH){1|C<3>,1|H<1>}	S(C[5]N[5]2)	127.4350	0.098	2	127.5121	0.290	13	126.9127	1.727	195	126.6866	2.554	297	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:4:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5]C)2(S)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH)	S(C[5]N[5]2)	C[5](N[5]C[5]C)2(S){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH){1|C<4>,1|H<1>}	S(C[5]N[5]2)	127.5261	0.588	11	127.5121	0.290	13	126.9127	1.727	195	126.6866	2.554	297	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:4:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5]C)2(S)	N[5](C[5]C[5]H)(C[5]N[5]S)(CC[5]HH)	S(C[5]N[5]2)	C[5](N[5]C[5]C)2(S){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CC[5]HH){1|C<4>,1|H<1>}	S(C[5]N[5]2)	126.7465	0.417	4	126.7465	0.174	4	126.9127	1.727	195	126.6866	2.554	297	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:4:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5]C)2(S)	N[5](C[5]C[5]H)(C[5]N[5]S)(CC[6a]HH)	S(C[5]N[5]2)	C[5](N[5]C[5]C)2(S){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CC[6a]HH){1|C<4>,1|H<1>}	S(C[5]N[5]2)	127.2632	0.680	6	127.2632	0.462	6	126.9127	1.727	195	126.6866	2.554	297	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:4:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5]C)2(S)	N[5](C[5]C[5]H)(C[5]N[5]S)(CFFH)	S(C[5]N[5]2)	C[5](N[5]C[5]C)2(S){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CFFH){1|C<4>,1|H<1>}	S(C[5]N[5]2)	127.1530	0.000	1	127.1530	0.000	1	126.9127	1.727	195	126.6866	2.554	297	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:4:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5]C)2(S)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	S(C[5]N[5]2)	C[5](N[5]C[5]C)2(S){1|H<1>,1|P<3>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|C<4>,1|P<3>}	S(C[5]N[5]2)	126.7080	0.471	2	127.3457	0.537	19	126.9127	1.727	195	126.6866	2.554	297	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:4:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5]C)2(S)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	S(C[5]N[5]2)	C[5](N[5]C[5]C)2(S){1|H<1>,1|P<4>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|C<4>,1|P<4>}	S(C[5]N[5]2)	126.7010	0.000	1	127.3457	0.537	19	126.9127	1.727	195	126.6866	2.554	297	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:4:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5]C)2(S)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	S(C[5]N[5]2)	C[5](N[5]C[5]C)2(S){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|C<3>,1|H<1>}	S(C[5]N[5]2)	125.4860	0.000	1	127.3457	0.537	19	126.9127	1.727	195	126.6866	2.554	297	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:4:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5]C)2(S)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	S(C[5]N[5]2)	C[5](N[5]C[5]C)2(S){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|C<4>,1|H<1>}	S(C[5]N[5]2)	127.5977	0.522	15	127.3457	0.537	19	126.9127	1.727	195	126.6866	2.554	297	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:4:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5]C)2(S)	N[5](C[5]C[5]H)(C[5]N[5]S)(CN[5]HH)	S(C[5]N[5]2)	C[5](N[5]C[5]C)2(S){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CN[5]HH){1|C<4>,1|H<1>}	S(C[5]N[5]2)	127.5747	0.391	3	127.5747	0.153	3	126.9127	1.727	195	126.6866	2.554	297	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:4:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5]C)2(S)	N[5](C[5]C[5]H)(C[5]N[5]S)(CN[5a]HH)	S(C[5]N[5]2)	C[5](N[5]C[5]C)2(S){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CN[5a]HH){1|C<4>,1|H<1>}	S(C[5]N[5]2)	127.8810	0.000	1	127.8810	0.000	1	126.9127	1.727	195	126.6866	2.554	297	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:4:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5]C)2(S)	N[5](C[5]C[5]O)(C[5]N[5]S)(CCHH)	S(C[5]N[5]2)	C[5](N[5]C[5]C)2(S){1|C<4>,1|H<1>,1|O<1>}	N[5](C[5]C[5]O)(C[5]N[5]S)(CCHH){1|C<3>,1|C<4>,1|H<1>}	S(C[5]N[5]2)	126.1860	0.000	1	125.0173	1.067	3	126.9127	1.727	195	126.6866	2.554	297	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:4:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5]C)2(S)	N[5](C[5]C[5]O)(C[5]N[5]S)(CCHH)	S(C[5]N[5]2)	C[5](N[5]C[5]C)2(S){1|C<4>,1|O<1>,1|O<2>}	N[5](C[5]C[5]O)(C[5]N[5]S)(CCHH){1|O<2>,2|C<4>}	S(C[5]N[5]2)	124.4330	0.291	2	125.0173	1.067	3	126.9127	1.727	195	126.6866	2.554	297	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:4:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5]C)2(S)	N[5](C[5]C[5]P)(C[5]N[5]S)(CCCH)	S(C[5]N[5]2)	C[5](N[5]C[5]C)2(S){1|H<1>,1|P<4>}	N[5](C[5]C[5]P)(C[5]N[5]S)(CCCH){1|C<4>,1|H<1>}	S(C[5]N[5]2)	129.0180	0.000	1	129.1455	0.033	2	126.9127	1.727	195	126.6866	2.554	297	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:4:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5]C)2(S)	N[5](C[5]C[5]P)(C[5]N[5]S)(CCCH)	S(C[5]N[5]2)	C[5](N[5]C[5]C)2(S){1|P<3>,1|P<4>}	N[5](C[5]C[5]P)(C[5]N[5]S)(CCCH){1|C<4>,1|P<4>}	S(C[5]N[5]2)	129.2730	0.000	1	129.1455	0.033	2	126.9127	1.727	195	126.6866	2.554	297	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:4:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5]C)2(S)	N[5](C[5]C[5]P)(C[5]N[5]S)(CCHH)	S(C[5]N[5]2)	C[5](N[5]C[5]C)2(S){2|P<4>}	N[5](C[5]C[5]P)(C[5]N[5]S)(CCHH){1|C<4>,1|P<4>}	S(C[5]N[5]2)	127.7450	0.000	1	127.7450	0.000	1	126.9127	1.727	195	126.6866	2.554	297	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:4:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5]C)2(S)	N[5](C[5]C[5]P)(C[5]N[5]S)(CH3)	S(C[5]N[5]2)	C[5](N[5]C[5]C)2(S){1|H<1>,1|P<3>}	N[5](C[5]C[5]P)(C[5]N[5]S)(CH3){1|C<4>,1|H<1>}	S(C[5]N[5]2)	128.0770	0.139	2	126.5234	1.539	12	126.9127	1.727	195	126.6866	2.554	297	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:4:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5]C)2(S)	N[5](C[5]C[5]P)(C[5]N[5]S)(CH3)	S(C[5]N[5]2)	C[5](N[5]C[5]C)2(S){1|H<1>,1|P<4>}	N[5](C[5]C[5]P)(C[5]N[5]S)(CH3){1|C<4>,1|H<1>}	S(C[5]N[5]2)	126.1866	1.177	7	126.5234	1.539	12	126.9127	1.727	195	126.6866	2.554	297	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:4:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5]C)2(S)	N[5](C[5]C[5]P)(C[5]N[5]S)(CH3)	S(C[5]N[5]2)	C[5](N[5]C[5]C)2(S){1|P<3>,1|P<4>}	N[5](C[5]C[5]P)(C[5]N[5]S)(CH3){1|C<4>,1|P<3>}	S(C[5]N[5]2)	124.9160	0.000	1	126.5234	1.539	12	126.9127	1.727	195	126.6866	2.554	297	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:4:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5]C)2(S)	N[5](C[5]C[5]P)(C[5]N[5]S)(CH3)	S(C[5]N[5]2)	C[5](N[5]C[5]C)2(S){2|P<4>}	N[5](C[5]C[5]P)(C[5]N[5]S)(CH3){1|C<4>,1|P<4>}	S(C[5]N[5]2)	126.9525	0.155	2	126.5234	1.539	12	126.9127	1.727	195	126.6866	2.554	297	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:4:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5]C)2(S)	N[5](C[5]C[5]S)(C[5]N[5]S)(CCCH)	S(C[5]N[5]2)	C[5](N[5]C[5]C)2(S){1|H<1>,1|S<2>}	N[5](C[5]C[5]S)(C[5]N[5]S)(CCCH){1|C<4>,1|H<1>}	S(C[5]N[5]2)	129.0220	0.000	1	126.7012	5.014	5	126.9127	1.727	195	126.6866	2.554	297	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:4:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5]C)2(S)	N[5](C[5]C[5]S)(C[5]N[5]S)(CCCH)	S(C[5]N[5]2)	C[5](N[5]C[5]C)2(S){2|S<2>}	N[5](C[5]C[5]S)(C[5]N[5]S)(CCCH){1|C<4>,1|S<2>}	S(C[5]N[5]2)	126.1210	2.107	4	126.7012	5.014	5	126.9127	1.727	195	126.6866	2.554	297	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:4:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5]C)2(S)	N[5](C[5]C[5]S)(C[5]N[5]S)(CCHH)	S(C[5]N[5]2)	C[5](N[5]C[5]C)2(S){1|C<3>,1|S<2>}	N[5](C[5]C[5]S)(C[5]N[5]S)(CCHH){1|C<3>,1|C<4>}	S(C[5]N[5]2)	127.2020	0.776	2	127.0853	0.256	6	126.9127	1.727	195	126.6866	2.554	297	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:4:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5]C)2(S)	N[5](C[5]C[5]S)(C[5]N[5]S)(CCHH)	S(C[5]N[5]2)	C[5](N[5]C[5]C)2(S){2|S<2>}	N[5](C[5]C[5]S)(C[5]N[5]S)(CCHH){1|C<4>,1|S<2>}	S(C[5]N[5]2)	127.0270	0.460	4	127.0853	0.256	6	126.9127	1.727	195	126.6866	2.554	297	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:4:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5]C)2(S)	N[5](C[5]C[5]S)(C[5]N[5]S)(CH3)	S(C[5]N[5]2)	C[5](N[5]C[5]C)2(S){2|S<2>}	N[5](C[5]C[5]S)(C[5]N[5]S)(CH3){1|C<4>,1|S<2>}	S(C[5]N[5]2)	126.9265	0.414	2	126.9265	0.171	2	126.9127	1.727	195	126.6866	2.554	297	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:4:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5]Si)(N[5]C[5]C)(S)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	S(C[5]N[5]2)	C[5](N[5]C[5]Si)(N[5]C[5]C)(S){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|Si<4>,1|H<1>}	S(C[5]N[5]2)	127.6636	1.014	12	127.6636	1.028	12	126.9127	1.727	195	126.6866	2.554	297	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:4:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5a]C[5])(N[5]C[5]C)(S)	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3)	S(C[5]N[5]2)	C[5](N[5]C[5a]C[5])(N[5]C[5]C)(S){1|N<2>,1|N<3>,2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3){1|C<3>,1|H<1>}	S(C[5]N[5]2)	129.4740	0.000	1	129.4740	0.000	1	126.9127	1.727	195	126.6866	2.554	297	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:4:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5a]C[5])(N[5]C[5]C)(S)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCCH)	S(C[5]N[5]2)	C[5](N[5]C[5a]C[5])(N[5]C[5]C)(S){1|N<2>,1|N<3>,2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CCCH){1|C<3>,1|H<1>}	S(C[5]N[5]2)	126.7200	0.000	1	126.7200	0.000	1	126.9127	1.727	195	126.6866	2.554	297	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:4:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5a]C[5])(N[5]C[5]C)(S)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	S(C[5]N[5]2)	C[5](N[5]C[5a]C[5])(N[5]C[5]C)(S){1|N<2>,1|N<3>,2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|C<3>,1|H<1>}	S(C[5]N[5]2)	125.9220	0.000	1	125.9220	0.000	1	126.9127	1.727	195	126.6866	2.554	297	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:4:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(S)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCCH)	S(C[5]N[5]2)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(S){1|C<3>,1|N<2>,2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CCCH){1|C<3>,1|H<1>}	S(C[5]N[5]2)	126.3900	0.464	2	126.3900	0.215	2	126.9127	1.727	195	126.6866	2.554	297	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:4:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(S)	N[5](C[5]C[5]O)(C[5]N[5]S)(CCCH)	S(C[5]N[5]2)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(S){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5]O)(C[5]N[5]S)(CCCH){1|C<3>,1|C<4>,1|H<1>}	S(C[5]N[5]2)	124.5420	0.000	1	124.5420	0.000	1	126.9127	1.727	195	126.6866	2.554	297	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:4:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(S)	N[5](C[5]C[5]O)(C[5]N[5]S)(CC[6a]HH)	S(C[5]N[5]2)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(S){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5]O)(C[5]N[5]S)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	S(C[5]N[5]2)	124.0490	0.000	1	124.0490	0.000	1	126.9127	1.727	195	126.6866	2.554	297	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:4:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](N[5]N[5]Sn)(N[5]C[5]C)(S)	N[5](C[5]N[5]H)(C[5]N[5]S)(CH3)	S(C[5]N[5]2)	C[5](N[5]N[5]Sn)(N[5]C[5]C)(S){1|H<1>}	N[5](C[5]N[5]H)(C[5]N[5]S)(CH3){1|Sn<5>}	S(C[5]N[5]2)	126.6590	0.000	1	126.2270	0.373	2	126.9127	1.727	195	126.6866	2.554	297	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:4:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](N[5]N[5]Sn)(N[5]C[5]C)(S)	N[5](C[5]N[5]H)(C[5]N[5]S)(CH3)	S(C[5]N[5]2)	C[5](N[5]N[5]Sn)(N[5]C[5]C)(S){1|Sn<6>,1|H<1>}	N[5](C[5]N[5]H)(C[5]N[5]S)(CH3){1|Sn<5>,1|Sn<6>}	S(C[5]N[5]2)	125.7950	0.000	1	126.2270	0.373	2	126.9127	1.727	195	126.6866	2.554	297	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:4:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:Si-4:	C[5]-3:	C[5](N[5]C[5]Si)(N[5]C[5]C)(S)	N[5](C[5]C[5]H)(C[5]N[5]S)(SiN[5]2C)	S(C[5]N[5]2)	C[5](N[5]C[5]Si)(N[5]C[5]C)(S){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(SiN[5]2C){1|C<4>,1|H<1>}	S(C[5]N[5]2)	126.1833	0.160	3	126.1833	0.026	3	126.1137	1.516	7	126.6866	2.554	297	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:4:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:Si-4:	C[5]-3:	C[5](N[5]C[5]Si)(N[5]C[5]C)(S)	N[5](C[5]C[5]H)(C[5]N[5]S)(SiN[5]CC)	S(C[5]N[5]2)	C[5](N[5]C[5]Si)(N[5]C[5]C)(S){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(SiN[5]CC){1|C<4>,1|H<1>}	S(C[5]N[5]2)	127.2500	0.696	2	127.2500	0.484	2	126.1137	1.516	7	126.6866	2.554	297	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:4:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:Si-4:	C[5]-3:	C[5](N[5]C[5]Si)(N[5]C[5]C)(S)	N[5](C[5]C[5]H)(C[5]N[5]S)(SiN[5]CH)	S(C[5]N[5]2)	C[5](N[5]C[5]Si)(N[5]C[5]C)(S){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(SiN[5]CH){1|C<4>,1|H<1>}	S(C[5]N[5]2)	124.8730	1.698	2	124.8730	2.885	2	126.1137	1.516	7	126.6866	2.554	297	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:3:4:	3:	N[5]-3:N[5]-3:S-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5]C)(N[5]N[5]C)(S)	N[5](N[5]C[5]Co)(C[5]N[5]S)(CC[6]HH)	S(C[5]N[5]2)	C[5](N[5]C[5]C)(N[5]N[5]C)(S){1|Co<6>,1|H<1>}	N[5](N[5]C[5]Co)(C[5]N[5]S)(CC[6]HH){1|C<4>,1|H<1>}	S(C[5]N[5]2)	129.8230	0.000	1	129.8230	0.000	1	129.8230	0.000	1	126.6866	2.554	297	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:4:2:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C-4:N[5]-2:	C[5]-3:	C[5](N[5]C[5]N)(N[5]N[5]C)(S)	N[5](C[5]N[5]S)(CC[5a]CH)(N[5]C[5])	S(C[5]N[5]2)	C[5](N[5]C[5]N)(N[5]N[5]C)(S){1|C<4>}	N[5](C[5]N[5]S)(CC[5a]CH)(N[5]C[5]){1|C<4>,1|N<3>}	S(C[5]N[5]2)	130.1190	0.000	1	130.1190	0.000	1	128.4531	1.637	19	128.4531	1.637	19	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:4:2:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C-4:N[5]-2:	C[5]-3:	C[5](N[5]C[5]N)(N[5]N[5]C)(S)	N[5](C[5]N[5]S)(CC[6a]CH)(N[5]C[5])	S(C[5]N[5]2)	C[5](N[5]C[5]N)(N[5]N[5]C)(S){1|C<3>}	N[5](C[5]N[5]S)(CC[6a]CH)(N[5]C[5]){1|C<3>,1|N<2>}	S(C[5]N[5]2)	127.5586	0.956	5	128.3502	1.656	17	128.4531	1.637	19	128.4531	1.637	19	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:4:2:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C-4:N[5]-2:	C[5]-3:	C[5](N[5]C[5]N)(N[5]N[5]C)(S)	N[5](C[5]N[5]S)(CC[6a]CH)(N[5]C[5])	S(C[5]N[5]2)	C[5](N[5]C[5]N)(N[5]N[5]C)(S){1|C<3>}	N[5](C[5]N[5]S)(CC[6a]CH)(N[5]C[5]){1|C<3>,1|N<3>}	S(C[5]N[5]2)	129.8980	0.216	3	128.3502	1.656	17	128.4531	1.637	19	128.4531	1.637	19	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:4:2:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C-4:N[5]-2:	C[5]-3:	C[5](N[5]C[5]N)(N[5]N[5]C)(S)	N[5](C[5]N[5]S)(CC[6a]CH)(N[5]C[5])	S(C[5]N[5]2)	C[5](N[5]C[5]N)(N[5]N[5]C)(S){1|C<4>}	N[5](C[5]N[5]S)(CC[6a]CH)(N[5]C[5]){1|C<4>,1|N<2>}	S(C[5]N[5]2)	127.4968	0.527	6	128.3502	1.656	17	128.4531	1.637	19	128.4531	1.637	19	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:4:2:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C-4:N[5]-2:	C[5]-3:	C[5](N[5]C[5]N)(N[5]N[5]C)(S)	N[5](C[5]N[5]S)(CC[6a]CH)(N[5]C[5])	S(C[5]N[5]2)	C[5](N[5]C[5]N)(N[5]N[5]C)(S){1|C<4>}	N[5](C[5]N[5]S)(CC[6a]CH)(N[5]C[5]){1|C<4>,1|N<3>}	S(C[5]N[5]2)	129.8287	0.245	3	128.3502	1.656	17	128.4531	1.637	19	128.4531	1.637	19	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:4:2:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C-4:N[5]-2:	C[5]-3:	C[5](N[5]C[6a]C[5])(N[5]N[5]C)(S)	N[5](C[5]N[5]S)(CC[6a]HH)(N[5]C[5])	S(C[5]N[5]2)	C[5](N[5]C[6a]C[5])(N[5]N[5]C)(S){3|C<3>}	N[5](C[5]N[5]S)(CC[6a]HH)(N[5]C[5]){2|C<3>}	S(C[5]N[5]2)	128.5350	0.000	1	128.5350	0.000	1	128.4531	1.637	19	128.4531	1.637	19	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:4:3:	3:	N[5]-3:N[5]-3:S-1:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5]-3:	C[5](N[5]C[5,6a]C[5])(N[5]C[5,6a]H)(S)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O[5]H)(C[5]N[5]S)	S(C[5]N[5]2)	C[5](N[5]C[5,6a]C[5])(N[5]C[5,6a]H)(S){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O[5]H)(C[5]N[5]S){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	S(C[5]N[5]2)	126.3880	0.000	1	126.3880	0.000	1	126.3880	0.000	1	126.7162	2.029	18	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:4:3:	3:	N[5]-3:N[5]-3:S-1:	C[5,6a]-3:C[6]-4:C[5]-3:	C[5]-3:	C[5](N[5]C[5,6a]C[6])(N[5]C[5,6a]C)(S)	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]N[5]S)	S(C[5]N[5]2)	C[5](N[5]C[5,6a]C[6])(N[5]C[5,6a]C)(S){1|H<1>,2|C<3>,2|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]N[5]S){2|C<3>,3|C<4>,5|H<1>}	S(C[5]N[5]2)	127.0885	0.487	2	127.0885	0.237	2	127.0885	0.237	2	126.7162	2.029	18	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:4:3:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-4:C[5]-3:	C[5]-3:	C[5](N[5]C[5]2)(N[5]C[5]H)(S)	N[5](C[5]C[5]N[5])(C[5]C[5]HH)(C[5]N[5]S)	S(C[5]N[5]2)	C[5](N[5]C[5]2)(N[5]C[5]H)(S){1|C<4>,1|N<2>,4|H<1>}	N[5](C[5]C[5]N[5])(C[5]C[5]HH)(C[5]N[5]S){1|N<3>,3|C<4>,3|H<1>}	S(C[5]N[5]2)	130.0000	0.000	1	130.0000	0.000	1	130.0000	0.000	1	126.7162	2.029	18	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:4:3:	3:	N[5]-3:N[5]-3:S-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(S)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]S)	S(C[5]N[5]2)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(S){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]S){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	S(C[5]N[5]2)	128.5460	0.437	2	128.5460	0.191	2	126.4519	1.701	14	126.7162	2.029	18	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:4:3:	3:	N[5]-3:N[5]-3:S-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(S)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]S)	S(C[5]N[5]2)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(S){2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]S){1|C<4>,2|C<3>,4|H<1>}	S(C[5]N[5]2)	127.4145	0.233	2	126.7513	1.346	3	126.4519	1.701	14	126.7162	2.029	18	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:4:3:	3:	N[5]-3:N[5]-3:S-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(S)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]S)	S(C[5]N[5]2)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(S){2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]S){2|C<3>,2|H<1>,3|C<4>}	S(C[5]N[5]2)	125.4250	0.000	1	126.7513	1.346	3	126.4519	1.701	14	126.7162	2.029	18	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:4:3:	3:	N[5]-3:N[5]-3:S-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:	C[5](N[5]C[6a]C[5])(N[5]N[5]H)(S)	N[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]N[5]S)	S(C[5]N[5]2)	C[5](N[5]C[6a]C[5])(N[5]N[5]H)(S){2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]N[5]S){3|C<3>,3|H<1>}	S(C[5]N[5]2)	128.0040	0.000	1	128.0040	0.000	1	126.4519	1.701	14	126.7162	2.029	18	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:4:3:	3:	N[5]-3:N[5]-3:S-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:	C[5](N[5]C[6a]C[5])2(S)	N[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]N[5]S)	S(C[5]N[5]2)	C[5](N[5]C[6a]C[5])2(S){2|H<1>,2|O<2>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]N[5]S){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	S(C[5]N[5]2)	125.4872	0.487	6	125.6221	0.325	8	126.4519	1.701	14	126.7162	2.029	18	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	3:4:3:	3:	N[5]-3:N[5]-3:S-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:	C[5](N[5]C[6a]C[5])2(S)	N[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]N[5]S)	S(C[5]N[5]2)	C[5](N[5]C[6a]C[5])2(S){2|H<1>,2|O<2>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]N[5]S){1|O<2>,3|C<3>,3|H<1>}	S(C[5]N[5]2)	126.0270	0.808	2	125.6221	0.325	8	126.4519	1.701	14	126.7162	2.029	18	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	4:3:1:	3:	N[5,6]-3:N[5]-3:S-1:	C[5,5]-4:C[5]-3:H-1:	C[5]-3:	C[5](N[5,6]C[5,5,6]C[6])(N[5]C[5,5]H)(S)	N[5](C[5,5]C[5,5,6]C[6a]N[5])(C[5]N[5,6]S)(H)	S(C[5]N[5,6]N[5])	C[5](N[5,6]C[5,5,6]C[6])(N[5]C[5,5]H)(S){1|N<2>,2|C<3>,2|H<1>,2|N<3>}	N[5](C[5,5]C[5,5,6]C[6a]N[5])(C[5]N[5,6]S)(H){1|C<4>,1|N<3>,4|C<3>}	S(C[5]N[5,6]N[5])	126.1470	0.000	1	126.1360	0.056	3	126.1360	0.056	3	126.4935	3.208	36	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	4:3:1:	3:	N[5,6]-3:N[5]-3:S-1:	C[5,5]-4:C[5]-3:H-1:	C[5]-3:	C[5](N[5,6]C[5,5,6]C[6])(N[5]C[5,5]H)(S)	N[5](C[5,5]C[5,5,6]C[6a]N[5])(C[5]N[5,6]S)(H)	S(C[5]N[5,6]N[5])	C[5](N[5,6]C[5,5,6]C[6])(N[5]C[5,5]H)(S){2|C<3>,2|H<1>,3|N<3>}	N[5](C[5,5]C[5,5,6]C[6a]N[5])(C[5]N[5,6]S)(H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	S(C[5]N[5,6]N[5])	126.1305	0.334	2	126.1360	0.056	3	126.1360	0.056	3	126.4935	3.208	36	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	4:3:1:	3:	N[5]-3:C[5]-3:S-1:	C[5,5]-4:C[5]-3:H-1:	C[5]-3:	C[5](N[5]C[5,5]H)(C[5]C[5]C)(S)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]S)(H)	S(C[5]C[5]N[5])	C[5](N[5]C[5,5]H)(C[5]C[5]C)(S){3|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]S)(H){1|N<3>,1|O<1>,4|C<3>}	S(C[5]C[5]N[5])	126.7060	0.000	1	126.7060	0.000	1	126.7060	0.000	1	126.4935	3.208	36	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	4:3:1:	3:	N[5]-3:N[5]-3:S-1:	C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:	C[5](N[5]C[5,5,6]H)(N[5]C[5]C)(S)	N[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]N[5]S)(H)	S(C[5]N[5]2)	C[5](N[5]C[5,5,6]H)(N[5]C[5]C)(S){1|O<1>,2|C<4>}	N[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]N[5]S)(H){1|Cl<1>,1|C<3>,1|O<1>,2|H<1>,3|C<4>}	S(C[5]N[5]2)	127.3230	0.000	1	127.3230	0.000	1	127.3230	0.000	1	126.4935	3.208	36	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	4:3:1:	3:	N[5]-3:N[5]-3:S-1:	C[5,5]-4:C[5]-3:H-1:	C[5]-3:	C[5](N[5]C[5,5]C)(N[5]C[5,5]H)(S)	N[5](C[5,5]C[5,5]O[5]H)(C[5]N[5]S)(H)	S(C[5]N[5]2)	C[5](N[5]C[5,5]C)(N[5]C[5,5]H)(S){1|C<4>,1|O<2>,2|H<1>}	N[5](C[5,5]C[5,5]O[5]H)(C[5]N[5]S)(H){1|H<1>,3|C<4>}	S(C[5]N[5]2)	125.8570	0.000	1	125.8570	0.000	1	125.9220	2.595	5	126.4935	3.208	36	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	4:3:1:	3:	N[5]-3:N[5]-3:S-1:	C[5,5]-4:C[5]-3:H-1:	C[5]-3:	C[5](N[5]C[5,5]C[6a])(N[5]C[5,5]H)(S)	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]S)(H)	S(C[5]N[5]2)	C[5](N[5]C[5,5]C[6a])(N[5]C[5,5]H)(S){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]S)(H){1|H<1>,1|N<3>,3|C<3>}	S(C[5]N[5]2)	125.2150	0.000	1	125.2150	0.000	1	125.9220	2.595	5	126.4935	3.208	36	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	4:3:1:	3:	N[5]-3:N[5]-3:S-1:	C[5,5]-4:C[5]-3:H-1:	C[5]-3:	C[5](N[5]C[5,5]C[6a])(N[5]C[5,5]H)(S)	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]S)(H)	S(C[5]N[5]2)	C[5](N[5]C[5,5]C[6a])(N[5]C[5,5]H)(S){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]S)(H){1|C<4>,1|N<3>,3|C<3>}	S(C[5]N[5]2)	124.1280	0.000	1	124.1280	0.000	1	125.9220	2.595	5	126.4935	3.208	36	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	4:3:1:	3:	N[5]-3:N[5]-3:S-1:	C[5,5]-4:C[5]-3:H-1:	C[5]-3:	C[5](N[5]C[5,5]H)(N[5]C[5]H)(S)	N[5](C[5,5]C[5]3)(C[5]N[5]S)(H)	S(C[5]N[5]2)	C[5](N[5]C[5,5]H)(N[5]C[5]H)(S){1|S<1>,2|C<4>}	N[5](C[5,5]C[5]3)(C[5]N[5]S)(H){1|S<1>,2|C<4>,5|H<1>}	S(C[5]N[5]2)	128.5020	0.000	1	128.5020	0.000	1	125.9220	2.595	5	126.4935	3.208	36	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	4:3:1:	3:	N[5]-3:N[5]-3:S-1:	C[5,5]-4:C[5]-3:H-1:	C[5]-3:	C[5](N[5]C[5,5]H)(N[5]C[5]N)(S)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]S)(H)	S(C[5]N[5]2)	C[5](N[5]C[5,5]H)(N[5]C[5]N)(S){1|H<1>,3|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]S)(H){1|H<1>,1|O<1>,2|N<3>,3|C<3>}	S(C[5]N[5]2)	125.9080	0.000	1	125.9080	0.000	1	125.9220	2.595	5	126.4935	3.208	36	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	4:3:1:	3:	N[5]-3:N[5]-3:S-1:	C[5,6]-4:C[5]-3:H-1:	C[5]-3:	C[5](N[5]C[5,6]H)(N[5]C[5]H)(S)	N[5](C[5,6]C[5]C[6]2)(C[5]N[5]S)(H)	S(C[5]N[5]2)	C[5](N[5]C[5,6]H)(N[5]C[5]H)(S){1|S<1>,2|C<4>}	N[5](C[5,6]C[5]C[6]2)(C[5]N[5]S)(H){1|S<1>,2|C<4>,5|H<1>}	S(C[5]N[5]2)	129.3130	0.000	1	129.3130	0.000	1	129.3130	0.000	1	126.4935	3.208	36	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	4:3:1:	3:	N[5]-3:N[5]-3:S-1:	C[5]-4:C[5]-3:H-1:	C[5]-3:	C[5](N[5]C[5]2)(N[5]C[5]H)(S)	N[5](C[5]C[5]HH)(C[5]N[5]S)(H)	S(C[5]N[5]2)	C[5](N[5]C[5]2)(N[5]C[5]H)(S){1|C<4>,1|N<2>,4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]S)(H){1|C<3>,2|H<1>}	S(C[5]N[5]2)	122.7790	0.000	1	124.7255	7.578	2	126.4963	3.795	25	126.4935	3.208	36	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	4:3:1:	3:	N[5]-3:N[5]-3:S-1:	C[5]-4:C[5]-3:H-1:	C[5]-3:	C[5](N[5]C[5]2)(N[5]C[5]H)(S)	N[5](C[5]C[5]HH)(C[5]N[5]S)(H)	S(C[5]N[5]2)	C[5](N[5]C[5]2)(N[5]C[5]H)(S){2|N<2>,4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]S)(H){1|C<3>,2|H<1>}	S(C[5]N[5]2)	126.6720	0.000	1	124.7255	7.578	2	126.4963	3.795	25	126.4935	3.208	36	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	4:3:1:	3:	N[5]-3:N[5]-3:S-1:	C[5]-4:C[5]-3:H-1:	C[5]-3:	C[5](N[5]C[5]C)(N[5]C[5]H)(S)	N[5](C[5]C[5]CH)(C[5]N[5]S)(H)	S(C[5]N[5]2)	C[5](N[5]C[5]C)(N[5]C[5]H)(S){1|C<4>,1|H<1>,1|O<1>}	N[5](C[5]C[5]CH)(C[5]N[5]S)(H){1|C<4>,1|O<1>}	S(C[5]N[5]2)	127.6670	0.119	2	127.6670	0.014	2	126.4963	3.795	25	126.4935	3.208	36	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	4:3:1:	3:	N[5]-3:N[5]-3:S-1:	C[5]-4:C[5]-3:H-1:	C[5]-3:	C[5](N[5]C[5]C)(N[5]C[5]H)(S)	N[5](C[5]C[5]CN)(C[5]N[5]S)(H)	S(C[5]N[5]2)	C[5](N[5]C[5]C)(N[5]C[5]H)(S){1|C<4>,1|N<3>,1|O<1>}	N[5](C[5]C[5]CN)(C[5]N[5]S)(H){1|C<4>,1|O<1>}	S(C[5]N[5]2)	126.9815	0.026	2	126.9815	0.001	2	126.4963	3.795	25	126.4935	3.208	36	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	4:3:1:	3:	N[5]-3:N[5]-3:S-1:	C[5]-4:C[5]-3:H-1:	C[5]-3:	C[5](N[5]C[5]C)(N[5]C[5]H)(S)	N[5](C[5]C[5]HH)(C[5]N[5]S)(H)	S(C[5]N[5]2)	C[5](N[5]C[5]C)(N[5]C[5]H)(S){1|O<1>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]S)(H){1|C<4>,1|O<1>}	S(C[5]N[5]2)	127.1770	0.113	2	126.3863	1.882	3	126.4963	3.795	25	126.4935	3.208	36	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	4:3:1:	3:	N[5]-3:N[5]-3:S-1:	C[5]-4:C[5]-3:H-1:	C[5]-3:	C[5](N[5]C[5]C)(N[5]C[5]H)(S)	N[5](C[5]C[5]HH)(C[5]N[5]S)(H)	S(C[5]N[5]2)	C[5](N[5]C[5]C)(N[5]C[5]H)(S){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]S)(H){1|C<4>,2|H<1>}	S(C[5]N[5]2)	124.8050	0.000	1	126.3863	1.882	3	126.4963	3.795	25	126.4935	3.208	36	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	4:3:1:	3:	N[5]-3:N[5]-3:S-1:	C[5]-4:C[5]-3:H-1:	C[5]-3:	C[5](N[5]C[5]C)(N[5]C[5]H)(S)	N[5](C[5]C[6a]2C[5])(C[5]N[5]S)(H)	S(C[5]N[5]2)	C[5](N[5]C[5]C)(N[5]C[5]H)(S){1|O<1>,2|C<3>}	N[5](C[5]C[6a]2C[5])(C[5]N[5]S)(H){1|C<4>,1|O<1>,4|C<3>}	S(C[5]N[5]2)	127.5150	0.000	1	127.5150	0.000	1	126.4963	3.795	25	126.4935	3.208	36	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	4:3:1:	3:	N[5]-3:N[5]-3:S-1:	C[5]-4:C[5]-3:H-1:	C[5]-3:	C[5](N[5]C[5]H)(N[5]C[5]N)(S)	N[5](C[5]C[5]HH)(C[5]N[5]S)(H)	S(C[5]N[5]2)	C[5](N[5]C[5]H)(N[5]C[5]N)(S){1|O<1>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]S)(H){1|N<3>,1|O<1>}	S(C[5]N[5]2)	128.6260	0.000	1	128.6260	0.000	1	126.4963	3.795	25	126.4935	3.208	36	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	4:3:1:	3:	N[5]-3:N[5]-3:S-1:	C[5]-4:C[5]-3:H-1:	C[5]-3:	C[5](N[5]C[5]H)(N[5]C[5]S)(S)	N[5](C[5]C[5]HH)(C[5]N[5]S)(H)	S(C[5]N[5]2)	C[5](N[5]C[5]H)(N[5]C[5]S)(S){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]S)(H){1|S<4>,2|H<1>}	S(C[5]N[5]2)	125.9210	0.000	1	125.9210	0.000	1	126.4963	3.795	25	126.4935	3.208	36	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	4:3:1:	3:	N[5]-3:N[5]-3:S-1:	C[5]-4:C[5]-3:H-1:	C[5]-3:	C[5](N[5]C[5]H)2(S)	N[5](C[5]C[5]CC)(C[5]N[5]S)(H)	S(C[5]N[5]2)	C[5](N[5]C[5]H)2(S){1|S<1>,2|C<4>}	N[5](C[5]C[5]CC)(C[5]N[5]S)(H){1|H<1>,1|S<1>}	S(C[5]N[5]2)	129.1520	0.000	1	129.1520	0.000	1	126.4963	3.795	25	126.4935	3.208	36	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	4:3:1:	3:	N[5]-3:N[5]-3:S-1:	C[5]-4:C[5]-3:H-1:	C[5]-3:	C[5](N[5]C[5]H)2(S)	N[5](C[5]C[5]CH)(C[5]N[5]S)(H)	S(C[5]N[5]2)	C[5](N[5]C[5]H)2(S){1|C<4>,1|H<1>,1|O<1>}	N[5](C[5]C[5]CH)(C[5]N[5]S)(H){1|H<1>,1|O<1>}	S(C[5]N[5]2)	128.2270	0.000	1	128.2270	0.000	1	126.4963	3.795	25	126.4935	3.208	36	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	4:3:1:	3:	N[5]-3:N[5]-3:S-1:	C[5]-4:C[5]-3:H-1:	C[5]-3:	C[5](N[5]C[5]H)2(S)	N[5](C[5]C[5]HH)(C[5]N[5]S)(H)	S(C[5]N[5]2)	C[5](N[5]C[5]H)2(S){1|O<1>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]S)(H){1|H<1>,1|O<1>}	S(C[5]N[5]2)	128.4850	0.000	1	125.3283	6.235	7	126.4963	3.795	25	126.4935	3.208	36	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	4:3:1:	3:	N[5]-3:N[5]-3:S-1:	C[5]-4:C[5]-3:H-1:	C[5]-3:	C[5](N[5]C[5]H)2(S)	N[5](C[5]C[5]HH)(C[5]N[5]S)(H)	S(C[5]N[5]2)	C[5](N[5]C[5]H)2(S){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]S)(H){3|H<1>}	S(C[5]N[5]2)	124.8022	2.271	6	125.3283	6.235	7	126.4963	3.795	25	126.4935	3.208	36	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	4:3:1:	3:	N[5]-3:N[5]-3:S-1:	C[5]-4:C[5]-3:H-1:	C[5]-3:	C[5](N[5]C[5]H)2(S)	N[5](C[5]C[5]HO)(C[5]N[5]S)(H)	S(C[5]N[5]2)	C[5](N[5]C[5]H)2(S){2|H<1>,2|O<2>}	N[5](C[5]C[5]HO)(C[5]N[5]S)(H){1|O<2>,2|H<1>}	S(C[5]N[5]2)	125.7950	0.577	2	125.7950	0.333	2	126.4963	3.795	25	126.4935	3.208	36	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	4:3:1:	3:	N[5]-3:N[5]-3:S-1:	C[5]-4:C[5]-3:H-1:	C[5]-3:	C[5](N[5]C[5]H)2(S)	N[5](C[5]C[6a]2C[5])(C[5]N[5]S)(H)	S(C[5]N[5]2)	C[5](N[5]C[5]H)2(S){1|O<1>,2|C<3>}	N[5](C[5]C[6a]2C[5])(C[5]N[5]S)(H){1|H<1>,1|O<1>,4|C<3>}	S(C[5]N[5]2)	128.7640	0.000	1	128.7640	0.000	1	126.4963	3.795	25	126.4935	3.208	36	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	4:3:1:	3:	N[5]-3:N[5]-3:S-1:	C[5]-4:C[5]-3:H-1:	C[5]-3:	C[5](N[5]C[6a]C[5])(N[5]C[5]H)(S)	N[5](C[5]C[5a]C[5]C)(C[5]N[5]S)(H)	S(C[5]N[5]2)	C[5](N[5]C[6a]C[5])(N[5]C[5]H)(S){1|C<4>,1|O<1>,3|C<3>}	N[5](C[5]C[5a]C[5]C)(C[5]N[5]S)(H){1|O<1>,1|O<2>,2|C<3>}	S(C[5]N[5]2)	127.4070	0.000	1	127.4070	0.000	1	126.4963	3.795	25	126.4935	3.208	36	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	4:3:3:	3:	N[5]-3:N[5]-3:S-1:	B-4:C[5]-3:C[5]-3:	C[5]-3:	C[5](N[5]C[5]B)(N[5]C[5]C)(S)	N[5](BN[5]N[6]Pt)(C[5]C[5]H)(C[5]N[5]S)	S(C[5]N[5]2)	C[5](N[5]C[5]B)(N[5]C[5]C)(S){2|H<1>}	N[5](BN[5]N[6]Pt)(C[5]C[5]H)(C[5]N[5]S){1|C<4>,1|H<1>}	S(C[5]N[5]2)	129.6080	0.000	1	129.6080	0.000	1	129.2143	0.158	3	127.8983	4.348	29	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	4:3:3:	3:	N[5]-3:N[5]-3:S-1:	B-4:C[5]-3:C[5]-3:	C[5]-3:	C[5](N[5]C[5]B)(N[5]C[5]C)(S)	N[5](BN[5a]N[5]H)(C[5]C[5]H)(C[5]N[5]S)	S(C[5]N[5]2)	C[5](N[5]C[5]B)(N[5]C[5]C)(S){2|H<1>}	N[5](BN[5a]N[5]H)(C[5]C[5]H)(C[5]N[5]S){1|C<4>,1|H<1>}	S(C[5]N[5]2)	129.0175	0.288	2	129.0175	0.083	2	129.2143	0.158	3	127.8983	4.348	29	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	4:3:3:	3:	N[5]-3:N[5]-3:S-1:	B[5a]-4:C[5]-3:C[5]-3:	C[5]-3:	C[5](N[5]B[5a]C[5])(N[5]C[5]C)(S)	N[5](B[5a]N[5a,5a]C[5a]N[5])(C[5]C[5]H)(C[5]N[5]S)	S(C[5]N[5]2)	C[5](N[5]B[5a]C[5])(N[5]C[5]C)(S){1|C<3>,2|H<1>,2|N<3>}	N[5](B[5a]N[5a,5a]C[5a]N[5])(C[5]C[5]H)(C[5]N[5]S){1|C<4>,1|H<1>,1|N<2>,1|S<2>,4|C<3>}	S(C[5]N[5]2)	128.5645	0.820	2	128.5645	0.672	2	128.5645	0.672	2	127.8983	4.348	29	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	4:3:3:	3:	N[5]-3:N[5]-3:S-1:	C[3]-4:C[5]-3:C[5]-3:	C[5]-3:	C[5](N[5]C[3]C[5])(N[5]C[5]C)(S)	N[5](C[3]C[3]2H)(C[5]C[5]C)(C[5]N[5]S)	S(C[5]N[5]2)	C[5](N[5]C[3]C[5])(N[5]C[5]C)(S){1|H<1>,4|C<4>}	N[5](C[3]C[3]2H)(C[5]C[5]C)(C[5]N[5]S){2|C<4>,4|H<1>}	S(C[5]N[5]2)	127.9050	0.000	1	127.9050	0.000	1	127.9050	0.000	1	127.8983	4.348	29	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	4:3:3:	3:	N[5]-3:N[5]-3:S-1:	C[5,5]-4:C[5]-3:C-3:	C[5]-3:	C[5](N[5]C[5,5]C)2(S)	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]S)(CCO)	S(C[5]N[5]2)	C[5](N[5]C[5,5]C)2(S){2|C<4>,2|N<3>}	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]S)(CCO){1|N<3>,2|C<3>,2|C<4>}	S(C[5]N[5]2)	127.8385	0.812	2	127.8385	0.660	2	127.8385	0.660	2	127.8983	4.348	29	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	4:3:3:	3:	N[5]-3:N[5]-3:S-1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5]-3:	C[5](N[5]C[5,5]C[6a])(N[5]C[5,5]H)(S)	N[5](C[5,5]C[5,5]N[5]C)(C[6a]C[6a]2)(C[5]N[5]S)	S(C[5]N[5]2)	C[5](N[5]C[5,5]C[6a])(N[5]C[5,5]H)(S){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	N[5](C[5,5]C[5,5]N[5]C)(C[6a]C[6a]2)(C[5]N[5]S){1|N<3>,3|C<3>,5|H<1>}	S(C[5]N[5]2)	126.5920	0.000	1	126.5920	0.000	1	126.2740	0.058	5	127.8983	4.348	29	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	4:3:3:	3:	N[5]-3:N[5]-3:S-1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5]-3:	C[5](N[5]C[5,5]C[6a])(N[5]C[5,5]H)(S)	N[5](C[5,5]C[5,5]N[5]H)(C[6a]C[6a]2)(C[5]N[5]S)	S(C[5]N[5]2)	C[5](N[5]C[5,5]C[6a])(N[5]C[5,5]H)(S){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	N[5](C[5,5]C[5,5]N[5]H)(C[6a]C[6a]2)(C[5]N[5]S){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	S(C[5]N[5]2)	126.0340	0.000	1	126.0340	0.000	1	126.2740	0.058	5	127.8983	4.348	29	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	4:3:3:	3:	N[5]-3:N[5]-3:S-1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5]-3:	C[5](N[5]C[5,5]C[6a])(N[5]C[5,5]H)(S)	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]2)(C[5]N[5]S)	S(C[5]N[5]2)	C[5](N[5]C[5,5]C[6a])(N[5]C[5,5]H)(S){6|C<3>}	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]2)(C[5]N[5]S){1|N<3>,1|O<1>,3|H<1>,6|C<3>}	S(C[5]N[5]2)	126.1180	0.000	1	126.1180	0.000	1	126.2740	0.058	5	127.8983	4.348	29	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	4:3:3:	3:	N[5]-3:N[5]-3:S-1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5]-3:	C[5](N[5]C[5,5]C[6a])(N[5]N[5,5]C)(S)	N[5](C[5,5]C[5,6a]N[5,5]C)(C[6a]C[6a]2)(C[5]N[5]S)	S(C[5]N[5]2)	C[5](N[5]C[5,5]C[6a])(N[5]N[5,5]C)(S){1|B<4>,1|C<4>,1|H<1>,3|C<3>}	N[5](C[5,5]C[5,6a]N[5,5]C)(C[6a]C[6a]2)(C[5]N[5]S){1|B<4>,1|C<4>,3|H<1>,4|C<3>}	S(C[5]N[5]2)	126.3130	0.218	2	126.3130	0.047	2	126.2740	0.058	5	127.8983	4.348	29	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	4:3:3:	3:	N[5]-3:N[5]-3:S-1:	C[5]-4:C[5]-3:C-3:	C[5]-3:	C[5](N[5]C[5]C)(N[5]C[5]H)(S)	N[5](C[5]C[5]CH)(C[5]N[5]S)(CCO)	S(C[5]N[5]2)	C[5](N[5]C[5]C)(N[5]C[5]H)(S){1|C<4>,1|H<1>,1|O<1>}	N[5](C[5]C[5]CH)(C[5]N[5]S)(CCO){1|H<1>,1|O<1>}	S(C[5]N[5]2)	131.5257	0.190	4	131.5257	0.036	4	129.9717	4.579	8	127.8983	4.348	29	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	4:3:3:	3:	N[5]-3:N[5]-3:S-1:	C[5]-4:C[5]-3:C-3:	C[5]-3:	C[5](N[5]C[5]C)(N[5]C[5]H)(S)	N[5](C[5]C[5]HH)(C[5]N[5]S)(CCO)	S(C[5]N[5]2)	C[5](N[5]C[5]C)(N[5]C[5]H)(S){1|O<1>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]S)(CCO){1|H<1>,1|O<1>}	S(C[5]N[5]2)	130.1090	0.000	1	130.1090	0.000	1	129.9717	4.579	8	127.8983	4.348	29	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	4:3:3:	3:	N[5]-3:N[5]-3:S-1:	C[5]-4:C[5]-3:C-3:	C[5]-3:	C[5](N[5]C[5]C)(N[5]C[5]H)(S)	N[5](C[5]C[6a]C[5]H)(C[5]N[5]S)(CCO)	S(C[5]N[5]2)	C[5](N[5]C[5]C)(N[5]C[5]H)(S){1|C<3>,1|H<1>,1|O<1>}	N[5](C[5]C[6a]C[5]H)(C[5]N[5]S)(CCO){1|H<1>,1|O<1>,2|C<3>}	S(C[5]N[5]2)	130.2740	0.000	1	130.2740	0.000	1	129.9717	4.579	8	127.8983	4.348	29	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	4:3:3:	3:	N[5]-3:N[5]-3:S-1:	C[5]-4:C[5]-3:C-3:	C[5]-3:	C[5](N[5]C[5]C)2(S)	N[5](C[5]C[5]CH)(C[5]N[5]S)(CCH)	S(C[5]N[5]2)	C[5](N[5]C[5]C)2(S){1|C<4>,1|H<1>,1|O<1>}	N[5](C[5]C[5]CH)(C[5]N[5]S)(CCH){1|C<4>,1|O<1>}	S(C[5]N[5]2)	126.5270	0.000	1	126.5270	0.000	1	129.9717	4.579	8	127.8983	4.348	29	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	4:3:3:	3:	N[5]-3:N[5]-3:S-1:	C[5]-4:C[5]-3:C-3:	C[5]-3:	C[5](N[5]C[5]C)2(S)	N[5](C[5]C[5]HH)(C[5]N[5]S)(CC[6a]O)	S(C[5]N[5]2)	C[5](N[5]C[5]C)2(S){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]S)(CC[6a]O){1|C<3>,2|H<1>}	S(C[5]N[5]2)	126.7610	0.000	1	126.7610	0.000	1	129.9717	4.579	8	127.8983	4.348	29	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	4:3:3:	3:	N[5]-3:N[5]-3:S-1:	C[5]-4:C[5]-3:C[5]-3:	C[5]-3:	C[5](N[5]C[5]2)(N[5]C[5]H)(S)	N[5](C[5]C[5]HH)(C[5]N[5]2)(C[5]N[5]S)	S(C[5]N[5]2)	C[5](N[5]C[5]2)(N[5]C[5]H)(S){2|N<2>,4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]2)(C[5]N[5]S){2|C<4>,3|H<1>}	S(C[5]N[5]2)	127.4010	0.000	1	127.4010	0.000	1	127.4010	0.000	1	127.8983	4.348	29	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	4:3:3:	3:	N[5]-3:N[5]-3:S-1:	C[6]-4:C[5]-3:C[5]-3:	C[5]-3:	C[5](N[5]C[5]C[6])2(S)	N[5](C[6]C[6]2H)(C[5]C[5]H)(C[5]N[5]S)	S(C[5]N[5]2)	C[5](N[5]C[5]C[6])2(S){4|C<4>,4|H<1>}	N[5](C[6]C[6]2H)(C[5]C[5]H)(C[5]N[5]S){3|C<4>,5|H<1>}	S(C[5]N[5]2)	127.1835	0.500	2	127.1835	0.250	2	127.1835	0.250	2	127.8983	4.348	29	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	4:3:3:	3:	N[5]-3:N[5]-3:S-1:	Si-4:C[5]-3:C[5]-3:	C[5]-3:	C[5](N[5]C[5]Si)(N[5]C[5]C)(S)	N[5](SiC[6a]N[5]2)(C[5]C[5]H)(C[5]N[5]S)	S(C[5]N[5]2)	C[5](N[5]C[5]Si)(N[5]C[5]C)(S){2|H<1>}	N[5](SiC[6a]N[5]2)(C[5]C[5]H)(C[5]N[5]S){1|C<4>,1|H<1>}	S(C[5]N[5]2)	126.2043	0.313	3	126.2043	0.098	3	125.5568	1.298	5	127.8983	4.348	29	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	4:3:3:	3:	N[5]-3:N[5]-3:S-1:	Si-4:C[5]-3:C[5]-3:	C[5]-3:	C[5](N[5]C[5]Si)(N[5]C[5]C)(S)	N[5](SiC[6a]N[5]H)(C[5]C[5]H)(C[5]N[5]S)	S(C[5]N[5]2)	C[5](N[5]C[5]Si)(N[5]C[5]C)(S){2|H<1>}	N[5](SiC[6a]N[5]H)(C[5]C[5]H)(C[5]N[5]S){1|C<4>,1|H<1>}	S(C[5]N[5]2)	124.5855	1.361	2	124.5855	1.853	2	125.5568	1.298	5	127.8983	4.348	29	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	4:3:4:	3:	N[5,5]-3:N[5]-3:S-1:	B[5]-4:C[5]-3:C-4:	C[5]-3:	C[5](N[5,5]N[5,5]C[5])(N[5]B[5]C)(S)	N[5](B[5]N[5,5]C[6a]2)(C[5]N[5,5]S)(CH3)	S(C[5]N[5,5]N[5])	C[5](N[5,5]N[5,5]C[5])(N[5]B[5]C)(S){1|C<4>,4|C<3>}	N[5](B[5]N[5,5]C[6a]2)(C[5]N[5,5]S)(CH3){6|C<3>}	S(C[5]N[5,5]N[5])	126.6910	0.000	1	126.6910	0.000	1	126.6910	0.000	1	126.0255	2.382	27	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	4:3:4:	3:	N[5]-3:N[5]-3:S-1:	C[5,5]-4:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5,5]C)(N[5]C[5,5]H)(S)	N[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]S)(CC[6a]HH)	S(C[5]N[5]2)	C[5](N[5]C[5,5]C)(N[5]C[5,5]H)(S){1|C<4>,1|O<2>,2|H<1>}	N[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]S)(CC[6a]HH){1|C<4>,2|O<2>,3|H<1>}	S(C[5]N[5]2)	125.4830	0.000	1	125.4830	0.000	1	125.6678	3.035	6	126.0255	2.382	27	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	4:3:4:	3:	N[5]-3:N[5]-3:S-1:	C[5,5]-4:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5,5]C)(N[5]C[5]C)(S)	N[5](C[5,5]C[5]N[5]2)(C[5]N[5]S)(CCCH)	S(C[5]N[5]2)	C[5](N[5]C[5,5]C)(N[5]C[5]C)(S){1|S<1>,2|N<3>}	N[5](C[5,5]C[5]N[5]2)(C[5]N[5]S)(CCCH){1|N<2>,1|S<1>,2|C<3>,2|C<4>}	S(C[5]N[5]2)	128.6520	0.000	1	128.6520	0.000	1	125.6678	3.035	6	126.0255	2.382	27	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	4:3:4:	3:	N[5]-3:N[5]-3:S-1:	C[5,5]-4:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5,5]C)2(S)	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]S)(CC[6a]HH)	S(C[5]N[5]2)	C[5](N[5]C[5,5]C)2(S){2|C<3>,2|N<3>}	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]S)(CC[6a]HH){1|N<3>,2|C<4>,4|C<3>}	S(C[5]N[5]2)	125.9645	0.549	2	125.9645	0.302	2	125.6678	3.035	6	126.0255	2.382	27	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	4:3:4:	3:	N[5]-3:N[5]-3:S-1:	C[5,5]-4:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5,5]C)2(S)	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]S)(CH3)	S(C[5]N[5]2)	C[5](N[5]C[5,5]C)2(S){2|C<4>,2|N<3>}	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]S)(CH3){1|N<3>,2|C<3>,2|C<4>}	S(C[5]N[5]2)	123.9715	0.025	2	123.9715	0.001	2	125.6678	3.035	6	126.0255	2.382	27	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	4:3:4:	3:	N[5]-3:N[5]-3:S-1:	C[5,6]-4:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[6a]C[5])(N[5]C[5,6]C)(S)	N[5](C[5,6]C[5]C[6]2)(C[5]N[5]S)(CC[6a]HH)	S(C[5]N[5]2)	C[5](N[5]C[6a]C[5])(N[5]C[5,6]C)(S){2|C<4>,3|C<3>}	N[5](C[5,6]C[5]C[6]2)(C[5]N[5]S)(CC[6a]HH){2|C<3>,2|C<4>,4|H<1>}	S(C[5]N[5]2)	127.3020	0.000	1	127.3020	0.000	1	127.3020	0.000	1	126.0255	2.382	27	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	4:3:4:	3:	N[5]-3:N[5]-3:S-1:	C[5]-4:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5]C)(N[5]C[5]H)(S)	N[5](C[5]C[5]CC)(C[5]N[5]S)(CH3)	S(C[5]N[5]2)	C[5](N[5]C[5]C)(N[5]C[5]H)(S){1|O<1>,2|C<4>}	N[5](C[5]C[5]CC)(C[5]N[5]S)(CH3){1|H<1>,1|O<1>}	S(C[5]N[5]2)	126.8330	1.964	2	126.8330	3.859	2	125.8689	2.311	17	126.0255	2.382	27	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	4:3:4:	3:	N[5]-3:N[5]-3:S-1:	C[5]-4:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5]C)(N[5]C[5]H)(S)	N[5](C[5]C[5]HH)(C[5]N[5]S)(CCHH)	S(C[5]N[5]2)	C[5](N[5]C[5]C)(N[5]C[5]H)(S){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]S)(CCHH){3|H<1>}	S(C[5]N[5]2)	126.0340	0.000	1	126.0340	0.000	1	125.8689	2.311	17	126.0255	2.382	27	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	4:3:4:	3:	N[5]-3:N[5]-3:S-1:	C[5]-4:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5]C)2(S)	N[5](C[5]C[5]CO)(C[5]N[5]S)(CCHH)	S(C[5]N[5]2)	C[5](N[5]C[5]C)2(S){1|C<4>,1|O<1>,1|O<2>}	N[5](C[5]C[5]CO)(C[5]N[5]S)(CCHH){1|C<4>,1|O<1>}	S(C[5]N[5]2)	127.7360	0.082	2	127.7360	0.007	2	125.8689	2.311	17	126.0255	2.382	27	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	4:3:4:	3:	N[5]-3:N[5]-3:S-1:	C[5]-4:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5]C)2(S)	N[5](C[5]C[5]HH)(C[5]N[5]S)(CC[6]CH)	S(C[5]N[5]2)	C[5](N[5]C[5]C)2(S){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]S)(CC[6]CH){1|C<4>,2|H<1>}	S(C[5]N[5]2)	125.8730	0.000	1	125.8730	0.000	1	125.8689	2.311	17	126.0255	2.382	27	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	4:3:4:	3:	N[5]-3:N[5]-3:S-1:	C[5]-4:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5]C)2(S)	N[5](C[5]C[5]HH)(C[5]N[5]S)(CC[6a]CH)	S(C[5]N[5]2)	C[5](N[5]C[5]C)2(S){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]S)(CC[6a]CH){1|C<4>,2|H<1>}	S(C[5]N[5]2)	126.0550	0.000	1	126.0550	0.000	1	125.8689	2.311	17	126.0255	2.382	27	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	4:3:4:	3:	N[5]-3:N[5]-3:S-1:	C[5]-4:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5]C)2(S)	N[5](C[5]C[5]HH)(C[5]N[5]S)(CC[6a]HH)	S(C[5]N[5]2)	C[5](N[5]C[5]C)2(S){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]S)(CC[6a]HH){1|C<4>,2|H<1>}	S(C[5]N[5]2)	125.2934	1.534	7	125.2934	2.352	7	125.8689	2.311	17	126.0255	2.382	27	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	4:3:4:	3:	N[5]-3:N[5]-3:S-1:	C[5]-4:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(S)	N[5](C[5]C[5]HH)(C[5]N[5]S)(CCHH)	S(C[5]N[5]2)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(S){2|C<3>,4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]S)(CCHH){1|C<3>,2|H<1>}	S(C[5]N[5]2)	127.2560	0.000	1	127.2560	0.000	1	125.8689	2.311	17	126.0255	2.382	27	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	4:3:4:	3:	N[5]-3:N[5]-3:S-1:	C[5]-4:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(S)	N[5](C[5]C[5]HH)(C[5]N[5]S)(CH3)	S(C[5]N[5]2)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(S){2|C<3>,4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]S)(CH3){1|C<3>,2|H<1>}	S(C[5]N[5]2)	124.1805	0.398	2	124.1805	0.158	2	125.8689	2.311	17	126.0255	2.382	27	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	4:3:4:	3:	N[5]-3:N[5]-3:S-1:	C[5]-4:C[5]-3:S-4:	C[5]-3:	C[5](N[5]C[5]H)(N[5]C[5]S)(S)	N[5](C[5]C[5]HH)(C[5]N[5]S)(SC[6a]OO)	S(C[5]N[5]2)	C[5](N[5]C[5]H)(N[5]C[5]S)(S){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]S)(SC[6a]OO){3|H<1>}	S(C[5]N[5]2)	128.5590	0.000	1	128.5590	0.000	1	128.5590	0.000	1	126.0255	2.382	27	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:3:1:	4:3:4:	3:	N[5]-3:N[5]-3:S-1:	N[5,5]-4:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5,5]C[6a])(N[5]N[5,5]C)(S)	N[5](N[5,5]B[5,5]C[5,5]H)(C[5]N[5]S)(CCHH)	S(C[5]N[5]2)	C[5](N[5]C[5,5]C[6a])(N[5]N[5,5]C)(S){1|B<4>,1|C<4>,1|H<1>,3|C<3>}	N[5](N[5,5]B[5,5]C[5,5]H)(C[5]N[5]S)(CCHH){1|C<4>,2|O<2>,3|C<3>}	S(C[5]N[5]2)	126.3590	0.000	1	126.3590	0.000	1	126.3590	0.000	1	126.0255	2.382	27	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:4:1:	3:4:3:	3:	N[5]-3:C[5]-4:S-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(S)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)(C[5]C[5]S)	S(C[5]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(S){1|C<3>,1|N<2>,4|H<1>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)(C[5]C[5]S){2|C<3>,5|H<1>}	S(C[5]C[5]N[5])	130.2660	0.000	1	130.2660	0.000	1	130.2660	0.000	1	130.2660	0.000	1	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:4:1:	4:3:1:	3:	N[5]-3:C[5]-4:S-1:	C[5,5]-4:C[5]-3:H-1:	C[5]-3:	C[5](N[5]C[5,5]H)(C[5]C[5]CC)(S)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]S)(H)	S(C[5]C[5]N[5])	C[5](N[5]C[5,5]H)(C[5]C[5]CC)(S){1|H<1>,3|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]S)(H){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	S(C[5]C[5]N[5])	125.4410	0.000	1	125.4410	0.000	1	125.4025	0.003	2	125.4025	0.003	2	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:4:1:	4:3:1:	3:	N[5]-3:C[5]-4:S-1:	C[5,5]-4:C[5]-3:H-1:	C[5]-3:	C[5](N[5]C[5,5]H)(C[5]C[5]CH)(S)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]S)(H)	S(C[5]C[5]N[5])	C[5](N[5]C[5,5]H)(C[5]C[5]CH)(S){1|H<1>,3|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]S)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	S(C[5]C[5]N[5])	125.3640	0.000	1	125.3640	0.000	1	125.4025	0.003	2	125.4025	0.003	2	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	3:4:1:	4:3:3:	3:	N[5]-3:C[5]-4:S-1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5]-3:	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]CH)(S)	N[5](C[5,5]C[5,5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]S)	S(C[5]C[5]N[5])	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]CH)(S){1|H<1>,1|O<2>,4|C<3>}	N[5](C[5,5]C[5,5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]S){4|H<1>,7|C<3>}	S(C[5]C[5]N[5])	126.0830	0.000	1	126.0830	0.000	1	126.0830	0.000	1	126.0830	0.000	1	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	4:3:1:	3:3:1:	3:	C[5,5]-4:N[5]-3:S-1:	C[5,6a]-3:C[5]-3:H-1:	C[5]-3:	C[5](C[5,5]C[5,6a]2C[5])(N[5]C[5,6a]H)(S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]S)(H)	S(C[5]C[5,5]N[5])	C[5](C[5,5]C[5,6a]2C[5])(N[5]C[5,6a]H)(S){6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]S)(H){1|H<1>,4|C<3>}	S(C[5]C[5,5]N[5])	125.6470	0.000	1	125.6470	0.000	1	125.6470	0.000	1	126.0776	0.176	5	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	4:3:1:	3:3:1:	3:	C[5,5]-4:N[5]-3:S-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:	C[5](C[5,5]C[5]2N[5])(N[5]C[5]H)(S)	N[5](C[5]C[5,5]S)(C[5]N[5]S)(H)	S(C[5]C[5,5]N[5])	C[5](C[5,5]C[5]2N[5])(N[5]C[5]H)(S){1|S<1>,2|C<4>,5|H<1>}	N[5](C[5]C[5,5]S)(C[5]N[5]S)(H){1|H<1>,2|C<4>}	S(C[5]C[5,5]N[5])	126.1950	0.000	1	126.1950	0.000	1	126.1950	0.000	1	126.0776	0.176	5	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	4:3:1:	3:3:1:	3:	C[5,6]-4:N[5]-3:S-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:	C[5](C[5,6]C[6]2N[5])(N[5]C[5]H)(S)	N[5](C[5]C[5,6]S)(C[5]N[5]S)(H)	S(C[5]C[5,6]N[5])	C[5](C[5,6]C[6]2N[5])(N[5]C[5]H)(S){1|S<1>,2|C<4>,5|H<1>}	N[5](C[5]C[5,6]S)(C[5]N[5]S)(H){1|H<1>,2|C<4>}	S(C[5]C[5,6]N[5])	126.0260	0.000	1	126.0260	0.000	1	126.0260	0.000	1	126.0776	0.176	5	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	4:3:1:	3:3:1:	3:	C[5]-4:N[5]-3:S-1:	C[5,6a]-3:C[5]-3:H-1:	C[5]-3:	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(H)	S(C[5]C[5]N[5])	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(S){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(H){1|H<1>,2|C<3>,2|C<4>}	S(C[5]C[5]N[5])	126.7260	0.000	1	126.7260	0.000	1	126.7260	0.000	1	126.0776	0.176	5	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	4:3:1:	3:3:1:	3:	C[5]-4:N[5]-3:S-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:	C[5](C[5]N[5]CC)(N[5]C[5]H)(S)	N[5](C[5]C[5]S)(C[5]N[5]S)(H)	S(C[5]C[5]N[5])	C[5](C[5]N[5]CC)(N[5]C[5]H)(S){1|H<1>,1|S<1>}	N[5](C[5]C[5]S)(C[5]N[5]S)(H){1|H<1>,2|C<4>}	S(C[5]C[5]N[5])	125.7940	0.000	1	125.7940	0.000	1	125.7940	0.000	1	126.0776	0.176	5	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	4:3:1:	3:3:3:	3:	C[4,5]-4:N[5]-3:S-1:	B[5]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[4,5]C[4,5]C[6a]C[4])(N[5]C[6a]B[5])(S)	N[5](B[5]C[4,5]C[6a])(C[5]C[4,5]S)(C[6a]C[6a]2)	S(C[5]C[4,5]N[5])	C[5](C[4,5]C[4,5]C[6a]C[4])(N[5]C[6a]B[5])(S){8|C<3>}	N[5](B[5]C[4,5]C[6a])(C[5]C[4,5]S)(C[6a]C[6a]2){2|H<1>,8|C<3>}	S(C[5]C[4,5]N[5])	124.5450	0.409	2	124.5450	0.167	2	124.5450	0.167	2	126.4415	2.554	6	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	4:3:1:	3:3:3:	3:	C[5,5]-4:N[5]-3:S-1:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,5]C[5]N[5]2)(N[5]C[6a]C[5])(S)	N[5](C[5]C[5,5]S)(C[6a]C[6a]2)(C[5]C[5]C)	S(C[5]C[5,5]N[5])	C[5](C[5,5]C[5]N[5]2)(N[5]C[6a]C[5])(S){1|H<1>,1|N<2>,7|C<3>}	N[5](C[5]C[5,5]S)(C[6a]C[6a]2)(C[5]C[5]C){2|N<3>,3|C<3>,3|H<1>}	S(C[5]C[5,5]N[5])	128.0545	0.073	2	127.5653	0.721	3	127.3897	0.604	4	126.4415	2.554	6	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	4:3:1:	3:3:3:	3:	C[5,5]-4:N[5]-3:S-1:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,5]C[5]N[5]2)(N[5]C[6a]C[5])(S)	N[5](C[5]C[5,5]S)(C[6a]C[6a]2)(C[5]C[5]C)	S(C[5]C[5,5]N[5])	C[5](C[5,5]C[5]N[5]2)(N[5]C[6a]C[5])(S){1|H<1>,4|C<3>,4|C<4>}	N[5](C[5]C[5,5]S)(C[6a]C[6a]2)(C[5]C[5]C){2|N<3>,3|C<3>,3|H<1>}	S(C[5]C[5,5]N[5])	126.5870	0.000	1	127.5653	0.721	3	127.3897	0.604	4	126.4415	2.554	6	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	4:3:1:	3:3:3:	3:	C[5,5]-4:N[5]-3:S-1:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,5]C[5]N[5]2)(N[5]C[6a]C[5])(S)	N[5](C[5]C[5,5]S)(C[6a]C[6a]2)(C[5]C[5]O)	S(C[5]C[5,5]N[5])	C[5](C[5,5]C[5]N[5]2)(N[5]C[6a]C[5])(S){1|O<1>,4|C<3>,4|C<4>}	N[5](C[5]C[5,5]S)(C[6a]C[6a]2)(C[5]C[5]O){2|C<3>,2|C<4>,2|H<1>,2|N<3>}	S(C[5]C[5,5]N[5])	126.8630	0.000	1	126.8630	0.000	1	127.3897	0.604	4	126.4415	2.554	6	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	4:3:1:	3:3:4:	3:	C[4,5]-4:N[5]-3:S-1:	B[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](C[4,5]C[4,5]C[6a]C[4])(N[5]B[5]C)(S)	N[5](B[5]C[4,5]C[6a])(C[5]C[4,5]S)(CH3)	S(C[5]C[4,5]N[5])	C[5](C[4,5]C[4,5]C[6a]C[4])(N[5]B[5]C)(S){6|C<3>}	N[5](B[5]C[4,5]C[6a])(C[5]C[4,5]S)(CH3){6|C<3>}	S(C[5]C[4,5]N[5])	124.6750	0.000	1	124.6750	0.000	1	124.6750	0.000	1	126.2515	6.586	8	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	4:3:1:	3:3:4:	3:	C[5,5]-4:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](C[5,5]C[5,5]C[5]C)(N[5]C[5]C)(S)	N[5](C[5]C[5,5]N)(C[5]C[5,5]S)(CH3)	S(C[5]C[5,5]N[5])	C[5](C[5,5]C[5,5]C[5]C)(N[5]C[5]C)(S){1|N<3>,2|C<3>,2|N<2>}	N[5](C[5]C[5,5]N)(C[5]C[5,5]S)(CH3){4|C<3>}	S(C[5]C[5,5]N[5])	127.0695	0.056	2	127.0695	0.003	2	128.2353	4.079	3	126.2515	6.586	8	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	4:3:1:	3:3:4:	3:	C[5,5]-4:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](C[5,5]N[5]3)(N[5]C[5]C)(S)	N[5](C[5]C[5,5]S)(C[5]N[5]S)(CCCH)	S(C[5]C[5,5]N[5])	C[5](C[5,5]N[5]3)(N[5]C[5]C)(S){1|N<2>,1|S<1>,2|C<3>,2|C<4>}	N[5](C[5]C[5,5]S)(C[5]N[5]S)(CCCH){1|C<4>,2|N<3>}	S(C[5]C[5,5]N[5])	130.5670	0.000	1	130.5670	0.000	1	128.2353	4.079	3	126.2515	6.586	8	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	4:3:1:	3:3:4:	3:	C[5,6]-4:N[5]-3:S-1:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]S)(CH3)	S(C[5]C[5,6]N[5])	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(S){1|S<2>,2|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]S)(CH3){1|H<1>,2|C<3>,2|C<4>}	S(C[5]C[5,6]N[5])	126.9070	0.000	1	126.9070	0.000	1	126.9070	0.000	1	126.2515	6.586	8	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	4:3:1:	3:3:4:	3:	C[5,6]-4:N[5]-3:S-1:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-3:	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(S)	N[5](C[5]C[5,6]S)(C[6a]C[6a]2)(C[5]C[5]CC)	S(C[5]C[5,6]N[5])	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(S){2|C<3>,4|C<4>,6|H<1>}	N[5](C[5]C[5,6]S)(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	S(C[5]C[5,6]N[5])	121.4380	0.000	1	121.4380	0.000	1	121.4380	0.000	1	126.2515	6.586	8	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	4:3:1:	3:3:4:	3:	C[5]-4:N[5]-3:S-1:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(CH3)	S(C[5]C[5]N[5])	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(S){1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(CH3){1|C<4>,2|C<3>,2|H<1>}	S(C[5]C[5]N[5])	126.1430	0.171	2	126.1430	0.029	2	126.1430	0.029	2	126.2515	6.586	8	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	4:3:1:	3:4:1:	3:	C[5,5]-4:N[5]-3:S-1:	C[5]-3:C[5]-4:H-1:	C[5]-3:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]H)(S)	N[5](C[5]C[5,5]S)(C[5]C[5]CH)(H)	S(C[5]C[5,5]N[5])	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]H)(S){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	N[5](C[5]C[5,5]S)(C[5]C[5]CH)(H){1|H<1>,3|C<3>}	S(C[5]C[5,5]N[5])	127.4960	0.000	1	127.4960	0.000	1	127.4960	0.000	1	127.4960	0.000	1	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	4:3:1:	4:3:1:	3:	C[5,5]-4:N[5]-3:S-1:	C[5,5]-4:C[5]-3:H-1:	C[5]-3:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,5]H)(S)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]S)(H)	S(C[5]C[5,5]N[5])	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,5]H)(S){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]S)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	S(C[5]C[5,5]N[5])	128.2950	0.000	1	127.8700	0.361	2	127.2237	1.434	3	127.6917	2.341	8	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	4:3:1:	4:3:1:	3:	C[5,5]-4:N[5]-3:S-1:	C[5,5]-4:C[5]-3:H-1:	C[5]-3:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,5]H)(S)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]S)(H)	S(C[5]C[5,5]N[5])	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,5]H)(S){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]S)(H){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	S(C[5]C[5,5]N[5])	127.4450	0.000	1	127.8700	0.361	2	127.2237	1.434	3	127.6917	2.341	8	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	4:3:1:	4:3:1:	3:	C[5,5]-4:N[5]-3:S-1:	C[5,5]-4:C[5]-3:H-1:	C[5]-3:	C[5](C[5,5]C[5]3)(N[5]C[5,5]H)(S)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]S)(H)	S(C[5]C[5,5]N[5])	C[5](C[5,5]C[5]3)(N[5]C[5,5]H)(S){1|O<1>,3|H<1>,5|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]S)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	S(C[5]C[5,5]N[5])	125.9310	0.000	1	125.9310	0.000	1	127.2237	1.434	3	127.6917	2.341	8	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	4:3:1:	4:3:1:	3:	C[5,6]-4:N[5]-3:S-1:	C[5,5]-4:C[5]-3:H-1:	C[5]-3:	C[5](C[5,6]C[5,6]C[6]N)(N[5]C[5,5]H)(S)	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5,6]S)(H)	S(C[5]C[5,6]N[5])	C[5](C[5,6]C[5,6]C[6]N)(N[5]C[5,5]H)(S){1|O<2>,2|H<1>,4|C<3>}	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5,6]S)(H){1|C<4>,1|H<1>,1|O<1>,2|N<3>,3|C<3>}	S(C[5]C[5,6]N[5])	126.7515	0.002	2	126.7515	0.000	2	127.3110	0.939	3	127.6917	2.341	8	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	4:3:1:	4:3:1:	3:	C[5,6]-4:N[5]-3:S-1:	C[5,5]-4:C[5]-3:H-1:	C[5]-3:	C[5](C[5,6]C[5]C[6]2)(N[5]C[5,5]H)(S)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6]S)(H)	S(C[5]C[5,6]N[5])	C[5](C[5,6]C[5]C[6]2)(N[5]C[5,5]H)(S){1|H<1>,2|N<3>,2|O<1>,3|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6]S)(H){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	S(C[5]C[5,6]N[5])	128.4300	0.000	1	128.4300	0.000	1	127.3110	0.939	3	127.6917	2.341	8	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	4:3:1:	4:3:1:	3:	C[5]-4:N[5]-3:S-1:	C[5,5]-4:C[5]-3:H-1:	C[5]-3:	C[5](C[5]C[5a]C[5]H)(N[5]C[5,5]H)(S)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]S)(H)	S(C[5]C[5]N[5])	C[5](C[5]C[5a]C[5]H)(N[5]C[5,5]H)(S){1|H<1>,1|O<2>,4|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]S)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	S(C[5]C[5]N[5])	127.0540	0.000	1	127.0540	0.000	1	127.0540	0.000	1	127.6917	2.341	8	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	4:3:1:	4:3:1:	3:	C[5]-4:N[5]-3:S-1:	C[5]-4:C[5]-3:H-1:	C[5]-3:	C[5](C[5]C[5,5]CC)(N[5]C[5]H)(S)	N[5](C[5]C[5,5]CH)(C[5]C[5]S)(H)	S(C[5]C[5]N[5])	C[5](C[5]C[5,5]CC)(N[5]C[5]H)(S){1|H<1>,3|C<3>}	N[5](C[5]C[5,5]CH)(C[5]C[5]S)(H){2|C<2>,2|C<3>}	S(C[5]C[5]N[5])	130.8760	0.000	1	130.8760	0.000	1	130.8760	0.000	1	127.6917	2.341	8	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	4:3:1:	4:3:3:	3:	C[5,5,6]-4:N[5]-3:S-1:	B[5]-4:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,5,6]C[5,6]N[5,5]C[6])(N[5]C[6a]B[5])(S)	N[5](B[5]N[5,5]C[6a]C)(C[5]C[5,5,6]S)(C[6a]C[6a]2)	S(C[5]C[5,5,6]N[5])	C[5](C[5,5,6]C[5,6]N[5,5]C[6])(N[5]C[6a]B[5])(S){1|S<2>,2|H<1>,7|C<3>}	N[5](B[5]N[5,5]C[6a]C)(C[5]C[5,5,6]S)(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	S(C[5]C[5,5,6]N[5])	129.1520	0.242	2	129.1520	0.058	2	129.1520	0.058	2	128.8970	0.200	4	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	4:3:1:	4:3:3:	3:	C[5]-4:N[5]-3:S-1:	C[5,5,6]-4:C[5]-3:C-3:	C[5]-3:	C[5](C[5]C[3x5,6]C[5]H)(N[5]C[5,5,6]C)(S)	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5]S)(CCO)	S(C[5]C[5]N[5])	C[5](C[5]C[3x5,6]C[5]H)(N[5]C[5,5,6]C)(S){1|C<3>,2|H<1>,4|C<4>}	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5]S)(CCO){3|H<1>,4|C<4>}	S(C[5]C[5]N[5])	129.0180	0.000	1	129.0180	0.000	1	129.0180	0.000	1	128.8970	0.200	4	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	4:3:1:	4:3:3:	3:	C[5]-4:N[5]-3:S-1:	C[6]-4:C[5]-3:C[5]-3:	C[5]-3:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C[6])(S)	N[5](C[6]C[6]2H)(C[5]C[5]N)(C[5]C[5]S)	S(C[5]C[5]N[5])	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C[6])(S){1|C<2>,1|H<1>,1|N<2>,2|C<4>,3|C<3>}	N[5](C[6]C[6]2H)(C[5]C[5]N)(C[5]C[5]S){1|C<2>,2|C<3>,2|C<4>,5|H<1>}	S(C[5]C[5]N[5])	128.2660	0.000	1	128.2660	0.000	1	128.2660	0.000	1	128.8970	0.200	4	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	4:3:1:	4:3:4:	3:	C[5]-4:N[5]-3:S-1:	C[5]-4:C[5]-3:C-4:	C[5]-3:	C[5](C[5]C[5]2H)(N[5]C[5]C)(S)	N[5](C[5]C[5]HH)(C[5]C[5]S)(CH3)	S(C[5]C[5]N[5])	C[5](C[5]C[5]2H)(N[5]C[5]C)(S){1|C<3>,1|C<4>,5|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]S)(CH3){1|C<4>,3|H<1>}	S(C[5]C[5]N[5])	126.3220	0.000	1	126.3220	0.000	1	126.6905	0.272	2	126.6905	0.272	2	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP2	C[5]	N[5]	S	4:3:1:	4:3:4:	3:	C[5]-4:N[5]-3:S-1:	C[5]-4:C[5]-3:C-4:	C[5]-3:	C[5](C[5]C[5]CH)(N[5]C[5]C)(S)	N[5](C[5]C[5]HH)(C[5]C[5]S)(CC[6a]HH)	S(C[5]C[5]N[5])	C[5](C[5]C[5]CH)(N[5]C[5]C)(S){4|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]S)(CC[6a]HH){1|C<4>,3|H<1>}	S(C[5]C[5]N[5])	127.0590	0.000	1	127.0590	0.000	1	126.6905	0.272	2	126.6905	0.272	2	127.6227	3.828	1212	127.5850	4.027	1235
818	542	977	0:SP2_SP-NON_SP3	C[5]	N[5,6]	S	3:3:1:	4:3:4:	3:	N[5,6]-3:N[5,6]-3:S-1:	C[5,5,6]-4:C[5]-3:C[6]-4:	C[5]-3:	C[5](N[5,6]C[5,5,6]C[6])2(S)	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C[6a])(C[5]N[5,6]S)(C[6]N[6]HH)	S(C[5]N[5,6]2)	C[5](N[5,6]C[5,5,6]C[6])2(S){2|C<3>,4|H<1>,4|N<3>}	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C[6a])(C[5]N[5,6]S)(C[6]N[6]HH){1|N<3>,3|C<4>,4|C<3>}	S(C[5]N[5,6]2)	125.6132	0.215	8	125.6132	0.046	8	125.6132	0.046	8	125.6132	0.046	8	125.6132	0.046	8	125.8731	1.307	16
818	542	977	0:SP2_SP-NON_SP3	C[5]	N[5]	S	3:2:1:	4:3:1:	3:	N[5]-3:O[5]-2:S-1:	C[5,5]-4:C[5]-3:H-1:	C[5]-3:	C[5](N[5]C[5,5]H)(O[5]C[5,5])(S)	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]O[5]S)(H)	S(C[5]N[5]O[5])	C[5](N[5]C[5,5]H)(O[5]C[5,5])(S){4|C<3>}	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]O[5]S)(H){1|N<3>,1|O<1>,4|C<3>}	S(C[5]N[5]O[5])	128.9400	0.000	1	128.9400	0.000	1	128.9400	0.000	1	128.9400	0.000	1	126.1330	2.600	8	125.8731	1.307	16
818	542	977	0:SP2_SP-NON_SP3	C[5]	N[5]	S	3:3:1:	3:3:1:	3:	N[5]-3:N[5]-3:S-1:	C[5]-3:N[5]-3:H-1:	C[5]-3:	C[5](N[5]C[6a]C[5])(N[5]N[5]H)(S)	N[5](C[5]N[5]S)(N[5]C[5]C)(H)	S(C[5]N[5]2)	C[5](N[5]C[6a]C[5])(N[5]N[5]H)(S){2|H<1>,3|C<3>}	N[5](C[5]N[5]S)(N[5]C[5]C)(H){1|C<3>,2|H<1>}	S(C[5]N[5]2)	123.5520	0.000	1	123.5520	0.000	1	123.5520	0.000	1	123.5520	0.000	1	126.1330	2.600	8	125.8731	1.307	16
818	542	977	0:SP2_SP-NON_SP3	C[5]	N[5]	S	3:3:1:	4:3:1:	3:	N[5]-3:N[5]-3:S-1:	C[5,5]-4:C[5]-3:H-1:	C[5]-3:	C[5](N[5]C[5,5]C[6a])(N[5]C[5,5]H)(S)	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5]S)(H)	S(C[5]N[5]2)	C[5](N[5]C[5,5]C[6a])(N[5]C[5,5]H)(S){6|C<3>}	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5]S)(H){1|N<3>,1|O<1>,5|C<3>}	S(C[5]N[5]2)	124.9680	0.000	1	124.9680	0.000	1	125.1610	0.074	2	125.1610	0.074	2	126.1330	2.600	8	125.8731	1.307	16
818	542	977	0:SP2_SP-NON_SP3	C[5]	N[5]	S	3:3:1:	4:3:1:	3:	N[5]-3:N[5]-3:S-1:	C[5,5]-4:C[5]-3:H-1:	C[5]-3:	C[5](N[5]C[5,5]H)(N[5]C[5]S)(S)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]S)(H)	S(C[5]N[5]2)	C[5](N[5]C[5,5]H)(N[5]C[5]S)(S){1|C<4>,3|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]S)(H){1|C<4>,1|N<3>,1|O<1>,1|S<4>,3|C<3>}	S(C[5]N[5]2)	125.3540	0.000	1	125.3540	0.000	1	125.1610	0.074	2	125.1610	0.074	2	126.1330	2.600	8	125.8731	1.307	16
818	542	977	0:SP2_SP-NON_SP3	C[5]	N[5]	S	3:3:1:	4:3:3:	3:	N[5]-3:N[5]-3:S-1:	C[5]-4:C[5]-3:N-3:	C[5]-3:	C[5](N[5]C[5,5]H)(N[5]C[5]N)(S)	N[5](C[5]C[5,5]C[6a]H)(C[5]N[5]S)(NCH)	S(C[5]N[5]2)	C[5](N[5]C[5,5]H)(N[5]C[5]N)(S){1|H<1>,3|C<3>}	N[5](C[5]C[5,5]C[6a]H)(C[5]N[5]S)(NCH){1|H<1>,4|C<3>}	S(C[5]N[5]2)	126.4690	0.000	1	126.4690	0.000	1	126.4690	0.000	1	126.4690	0.000	1	126.1330	2.600	8	125.8731	1.307	16
818	542	977	0:SP2_SP-NON_SP3	C[5]	N[5]	S	3:3:1:	4:3:4:	3:	N[5]-3:N[5]-3:S-1:	C[5]-4:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5]C)2(S)	N[5](C[5]C[5]HH)(C[5]N[5]S)(CC[6a]HH)	S(C[5]N[5]2)	C[5](N[5]C[5]C)2(S){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]S)(CC[6a]HH){1|C<4>,2|H<1>}	S(C[5]N[5]2)	127.0310	0.000	1	127.0310	0.000	1	127.0310	0.000	1	126.5937	0.474	3	126.1330	2.600	8	125.8731	1.307	16
818	542	977	0:SP2_SP-NON_SP3	C[5]	N[5]	S	3:3:1:	4:3:4:	3:	N[5]-3:N[5]-3:S-1:	C[5]-4:C[5]-3:S-4:	C[5]-3:	C[5](N[5]C[5,5]H)(N[5]C[5]S)(S)	N[5](C[5]C[5,5]CC)(C[5]N[5]S)(SC[6a]OO)	S(C[5]N[5]2)	C[5](N[5]C[5,5]H)(N[5]C[5]S)(S){1|C<4>,3|C<3>}	N[5](C[5]C[5,5]CC)(C[5]N[5]S)(SC[6a]OO){1|H<1>,2|C<3>}	S(C[5]N[5]2)	126.9500	0.000	1	126.9500	0.000	1	126.9500	0.000	1	126.5937	0.474	3	126.1330	2.600	8	125.8731	1.307	16
818	542	977	0:SP2_SP-NON_SP3	C[5]	N[5]	S	3:3:1:	4:3:4:	3:	N[5]-3:N[5]-3:S-1:	N[5,5]-4:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5,5]C[6a])(N[5]N[5,5]C)(S)	N[5](N[5,5]B[5,5]C[5,5]H)(C[5]N[5]S)(CCHH)	S(C[5]N[5]2)	C[5](N[5]C[5,5]C[6a])(N[5]N[5,5]C)(S){1|B<4>,1|C<4>,1|H<1>,3|C<3>}	N[5](N[5,5]B[5,5]C[5,5]H)(C[5]N[5]S)(CCHH){1|C<4>,2|O<2>,3|C<3>}	S(C[5]N[5]2)	125.8000	0.000	1	125.8000	0.000	1	125.8000	0.000	1	126.5937	0.474	3	126.1330	2.600	8	125.8731	1.307	16
818	542	979	0:SP2_SP2_SP2	C[5]	N[5]	Si	3:3:3:	3:3:3:	3:2:2:	N[5]-3:N[5]-3:Si-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N-2:N-2:	C[5](N[5]C[6a]C[5])2(SiNN)	N[5](C[6a]C[6a]2)(C[5]N[5]Si)(C[5]C[5]H)	Si(C[5]N[5]2)(NC[6a])2	C[5](N[5]C[6a]C[5])2(SiNN){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Si)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	Si(C[5]N[5]2)(NC[6a])2	126.9765	2.650	2	126.9765	7.020	2	126.9765	7.020	2	126.9765	7.020	2	126.7171	34.251	40	126.7171	34.251	40
818	542	979	0:SP2_SP2_SP2	C[5]	N[5]	Si	3:3:3:	3:3:4:	3:3:1:	N[5]-3:N[5]-3:Si-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:N-3:Cl-1:	C[5](N[5]C[5]C)2(SiClN)	N[5](C[5]N[5]Si)(C[5]C[5]C)(CCCH)	Si(C[5]N[5]2)(NC[6a]Si)(Cl)	C[5](N[5]C[5]C)2(SiClN){2|C<4>}	N[5](C[5]N[5]Si)(C[5]C[5]C)(CCCH){2|C<4>}	Si(C[5]N[5]2)(NC[6a]Si)(Cl)	127.4560	10.706	2	127.4560	114.610	2	127.4560	114.610	2	127.5733	41.231	4	126.7171	34.251	40	126.7171	34.251	40
818	542	979	0:SP2_SP2_SP2	C[5]	N[5]	Si	3:3:3:	3:3:4:	3:3:1:	N[5]-3:N[5]-3:Si-3:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:H-1:	C[5](N[5]C[5]C)2(SiC[6a]H)	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3)	Si(C[6a]C[6a]2)(C[5]N[5]2)(H)	C[5](N[5]C[5]C)2(SiC[6a]H){2|C<4>}	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3){2|C<4>}	Si(C[6a]C[6a]2)(C[5]N[5]2)(H)	127.6905	3.004	2	127.6905	9.027	2	127.6905	9.027	2	127.5733	41.231	4	126.7171	34.251	40	126.7171	34.251	40
818	542	979	0:SP2_SP2_SP2	C[5]	N[5]	Si	3:3:3:	3:3:4:	3:3:2:	N[5]-3:N[5]-3:Si-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-3:P-2:	C[5](N[5]C[5]C)2(SiCP)	N[5](C[5]N[5]Si)(C[5]C[5]C)(CCCH)	Si(C[5]N[5]2)(CSiC)(PSi)	C[5](N[5]C[5]C)2(SiCP){2|C<4>}	N[5](C[5]N[5]Si)(C[5]C[5]C)(CCCH){2|C<4>}	Si(C[5]N[5]2)(CSiC)(PSi)	126.0075	0.026	2	126.0075	0.001	2	126.0075	0.001	2	126.2297	0.409	4	126.7171	34.251	40	126.7171	34.251	40
818	542	979	0:SP2_SP2_SP2	C[5]	N[5]	Si	3:3:3:	3:3:4:	3:3:2:	N[5]-3:N[5]-3:Si-3:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:P-2:	C[5](N[5]C[5]C)2(SiC[6a]P)	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3)	Si(C[6a]C[6a]2)(C[5]N[5]2)(PC[6a])	C[5](N[5]C[5]C)2(SiC[6a]P){2|C<4>}	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3){2|C<4>}	Si(C[6a]C[6a]2)(C[5]N[5]2)(PC[6a])	126.4520	1.014	2	126.4520	1.028	2	126.4520	1.028	2	126.2297	0.409	4	126.7171	34.251	40	126.7171	34.251	40
818	542	979	0:SP2_SP2_SP2	C[5]	N[5]	Si	3:3:3:	3:3:4:	3:3:3:	N[5]-3:N[5]-3:Si-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-3:P-3:	C[5](N[5]C[5]C)2(SiCP)	N[5](C[5]N[5]Si)(C[5]C[5]C)(CCCH)	Si(C[5]N[5]2)(CSiC)(PSiW)	C[5](N[5]C[5]C)2(SiCP){2|C<4>}	N[5](C[5]N[5]Si)(C[5]C[5]C)(CCCH){2|C<4>}	Si(C[5]N[5]2)(CSiC)(PSiW)	126.6920	7.705	2	126.6920	59.361	2	126.6920	59.361	2	127.2726	58.097	8	126.7171	34.251	40	126.7171	34.251	40
818	542	979	0:SP2_SP2_SP2	C[5]	N[5]	Si	3:3:3:	3:3:4:	3:3:3:	N[5]-3:N[5]-3:Si-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:N-3:P-3:	C[5](N[5]C[5]C)2(SiNP)	N[5](C[5]N[5]Si)(C[5]C[5]C)(CCCH)	Si(C[5]N[5]2)(NC[6a]Si)(PC[6a]2)	C[5](N[5]C[5]C)2(SiNP){2|C<4>}	N[5](C[5]N[5]Si)(C[5]C[5]C)(CCCH){2|C<4>}	Si(C[5]N[5]2)(NC[6a]Si)(PC[6a]2)	127.4975	10.139	2	127.4975	102.803	2	127.4975	102.803	2	127.2726	58.097	8	126.7171	34.251	40	126.7171	34.251	40
818	542	979	0:SP2_SP2_SP2	C[5]	N[5]	Si	3:3:3:	3:3:4:	3:3:3:	Si-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5](SiC[6a]C[5])(N[5]C[5]C)2	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3)	Si(C[6a]C[6a]2)(C[5]N[5]2)2	C[5](SiC[6a]C[5])(N[5]C[5]C)2{2|C<4>}	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3){2|C<4>}	Si(C[6a]C[6a]2)(C[5]N[5]2)2	127.4505	9.011	4	127.4505	81.203	4	127.4505	81.203	4	127.2726	58.097	8	126.7171	34.251	40	126.7171	34.251	40
818	542	979	0:SP2_SP2_SP2	C[5]	N[5]	Si	3:3:3:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:Si-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:Si-4:	C[5](N[5]C[5]C)2(SiC[5]Si)	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3)	Si(C[5]N[5]2)2(SiC3)	C[5](N[5]C[5]C)2(SiC[5]Si){2|C<4>}	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3){2|C<4>}	Si(C[5]N[5]2)2(SiC3)	127.8167	8.131	4	127.8167	66.111	4	127.8167	66.111	4	127.7743	39.675	6	126.7171	34.251	40	126.7171	34.251	40
818	542	979	0:SP2_SP2_SP2	C[5]	N[5]	Si	3:3:3:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:Si-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:Si-3:Si-4:	C[5](N[5]C[5]C)2(SiSi2)	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3)	Si(C[5]N[5]2)(SiSiZn)(SiC3)	C[5](N[5]C[5]C)2(SiSi2){2|C<4>}	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3){2|C<4>}	Si(C[5]N[5]2)(SiSiZn)(SiC3)	127.6895	0.139	2	127.6895	0.019	2	127.6895	0.019	2	127.7743	39.675	6	126.7171	34.251	40	126.7171	34.251	40
818	542	979	0:SP2_SP2_SP2	C[5]	N[5]	Si	3:3:3:	3:3:4:	3:4:1:	N[5]-3:N[5]-3:Si-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:Si-4:H-1:	C[5](N[5]C[5]C)2(SiSiH)	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3)	Si(C[5]N[5]2)(SiC3)(H)	C[5](N[5]C[5]C)2(SiSiH){2|C<4>}	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3){2|C<4>}	Si(C[5]N[5]2)(SiC3)(H)	127.8925	2.931	2	127.8925	8.591	2	127.8925	8.591	2	127.8925	8.591	2	126.7171	34.251	40	126.7171	34.251	40
818	542	979	0:SP2_SP2_SP2	C[5]	N[5]	Si	3:3:3:	3:3:4:	3:4:4:	N[5]-3:N[5]-3:Si-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:Si-4:Si-4:	C[5](N[5]C[5]C)2(SiSi2)	N[5](C[5]N[5]Si)(C[5]C[5]C)(CCCH)	Si(C[5]N[5]2)(SiSi3)(SiC3)	C[5](N[5]C[5]C)2(SiSi2){2|C<4>}	N[5](C[5]N[5]Si)(C[5]C[5]C)(CCCH){2|C<4>}	Si(C[5]N[5]2)(SiSi3)(SiC3)	127.6335	8.936	2	127.6335	79.847	2	127.9918	43.088	6	127.9918	43.088	6	126.7171	34.251	40	126.7171	34.251	40
818	542	979	0:SP2_SP2_SP2	C[5]	N[5]	Si	3:3:3:	3:3:4:	3:4:4:	N[5]-3:N[5]-3:Si-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:Si-4:Si-4:	C[5](N[5]C[5]C)2(SiSi2)	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3)	Si(C[5]N[5]2)(SiC3)2	C[5](N[5]C[5]C)2(SiSi2){2|C<4>}	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3){2|C<4>}	Si(C[5]N[5]2)(SiC3)2	128.1710	6.713	4	128.1710	45.069	4	127.9918	43.088	6	127.9918	43.088	6	126.7171	34.251	40	126.7171	34.251	40
818	542	979	0:SP2_SP2_SP2	C[5]	N[5]	Si	3:3:3:	3:3:4:	4:3:4:	N[5]-3:N[5]-3:Si-3:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:Si-4:	C[5](N[5]C[5]C)2(SiC[5]Si)	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3)	Si(C[5]C[5]2C)(C[5]N[5]2)(SiSi3)	C[5](N[5]C[5]C)2(SiC[5]Si){2|C<4>}	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3){2|C<4>}	Si(C[5]C[5]2C)(C[5]N[5]2)(SiSi3)	127.8450	8.222	2	127.8450	67.605	2	127.8450	67.605	2	127.8450	67.605	2	126.7171	34.251	40	126.7171	34.251	40
818	542	979	0:SP2_SP2_SP2	C[5]	N[5]	Si	3:4:3:	3:4:3:	3:1:1:	N[5]-3:C[5]-4:Si-3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:I-1:I-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(SiII)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Si)	Si(C[5]C[5]N[5])(I)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(SiII){2|C<3>,2|C<4>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Si){2|C<3>,2|H<1>,4|C<4>}	Si(C[5]C[5]N[5])(I)2	115.0090	0.132	2	115.0090	0.017	2	115.0090	0.017	2	115.0090	0.017	2	126.7171	34.251	40	126.7171	34.251	40
818	542	979	0:SP2_SP2_SP2	C[5]	N[5]	Si	3:4:3:	3:4:3:	3:3:1:	N[5]-3:C[5]-4:Si-3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:Si-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(SiSiH)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Si)	Si(C[5]C[5]N[5])(SiC[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(SiSiH){2|C<3>,2|C<4>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Si){2|C<3>,2|H<1>,4|C<4>}	Si(C[5]C[5]N[5])(SiC[5]H)(H)	126.4500	0.000	1	126.4500	0.000	1	126.4500	0.000	1	126.4500	0.000	1	126.7171	34.251	40	126.7171	34.251	40
818	542	979	0:SP2_SP2_SP2	C[5]	N[5]	Si	3:4:3:	3:4:3:	3:3:4:	N[5]-3:C[5]-4:Si-3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:Si-3:C-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(SiSiC)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Si)	Si(C[5]C[5]N[5])(SiC[5]C)(CH3)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(SiSiC){2|C<3>,2|C<4>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Si){2|C<3>,2|H<1>,4|C<4>}	Si(C[5]C[5]N[5])(SiC[5]C)(CH3)	127.0800	0.274	2	127.0800	0.075	2	127.0800	0.075	2	127.0800	0.075	2	126.7171	34.251	40	126.7171	34.251	40
818	542	979	0:SP2_SP2_SP2	C[5]	N[5]	Si	3:4:3:	3:4:3:	3:4:4:	N[5]-3:C[5]-4:Si-3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C-4:C-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(SiCC)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Si)	Si(C[5]C[5]N[5])(CH3)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(SiCC){2|C<3>,2|C<4>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Si){2|C<3>,2|H<1>,4|C<4>}	Si(C[5]C[5]N[5])(CH3)2	124.6380	0.000	1	124.6380	0.000	1	124.6380	0.000	1	124.6380	0.000	1	126.7171	34.251	40	126.7171	34.251	40
818	542	981	0:SP2_SP2_SP3	C[5]	N[5]	B[3a]	4:3:3:	3:3:4:	3:3:3:3:	B[3a]-4:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[3a]-3:C[3a]-3:C[5]-3:C[5]-3:	C[5](B[3a]C[3a]2C[5])(N[5]C[5]C)2	N[5](C[5]B[3a]N[5])(C[5]C[5]C)(CH3)	B[3a](C[3a]C[3a]Si)2(C[5]N[5]2)2	C[5](B[3a]C[3a]2C[5])(N[5]C[5]C)2{2|Si<4>,2|C<4>,2|N<3>}	N[5](C[5]B[3a]N[5])(C[5]C[5]C)(CH3){2|C<4>,3|C<3>}	B[3a](C[3a]C[3a]Si)2(C[5]N[5]2)2{4|C<3>,4|C<4>}	127.6093	2.857	4	127.6093	8.164	4	127.5850	4.949	8	127.6948	3.732	16	127.6948	3.732	16	127.6948	3.732	16
818	542	981	0:SP2_SP2_SP3	C[5]	N[5]	B[3a]	4:3:3:	3:3:4:	3:3:3:3:	B[3a]-4:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[3a]-3:C[3a]-3:C[5]-3:C[5]-3:	C[5](B[3a]C[3a]2C[5])(N[5]C[5]C)2	N[5](C[5]B[3a]N[5])(C[5]C[5]H)(CH3)	B[3a](C[3a]C[3a]Si)2(C[5]N[5]2)2	C[5](B[3a]C[3a]2C[5])(N[5]C[5]C)2{2|Si<4>,2|H<1>,2|N<3>}	N[5](C[5]B[3a]N[5])(C[5]C[5]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	B[3a](C[3a]C[3a]Si)2(C[5]N[5]2)2{4|C<3>,4|C<4>}	127.5607	1.839	4	127.5607	3.382	4	127.5850	4.949	8	127.6948	3.732	16	127.6948	3.732	16	127.6948	3.732	16
818	542	981	0:SP2_SP2_SP3	C[5]	N[5]	B[3a]	4:3:3:	3:3:4:	3:3:3:3:	B[3a]-4:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[3a]-3:C[3a]-3:C[5]-3:N-3:	C[5](B[3a]C[3a]2N)(N[5]C[5]C)2	N[5](C[5]B[3a]N[5])(C[5]C[5]H)(CH3)	B[3a](C[3a]C[3a]B)2(C[5]N[5]2)(NSi2)	C[5](B[3a]C[3a]2N)(N[5]C[5]C)2{2|B<3>,2|H<1>}	N[5](C[5]B[3a]N[5])(C[5]C[5]H)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	B[3a](C[3a]C[3a]B)2(C[5]N[5]2)(NSi2){2|C<3>,2|C<4>}	127.9455	1.981	2	127.9455	3.923	2	127.8712	3.938	6	127.6948	3.732	16	127.6948	3.732	16	127.6948	3.732	16
818	542	981	0:SP2_SP2_SP3	C[5]	N[5]	B[3a]	4:3:3:	3:3:4:	3:3:3:3:	B[3a]-4:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[3a]-3:C[3a]-3:C[5]-3:N-3:	C[5](B[3a]C[3a]2N)(N[5]C[5]C)2	N[5](C[5]B[3a]N[5])(C[5]C[5]H)(CH3)	B[3a](C[3a]C[3a]C[6a])(C[3a]C[3a]B)(C[5]N[5]2)(NSi2)	C[5](B[3a]C[3a]2N)(N[5]C[5]C)2{1|B<3>,1|C<3>,2|H<1>}	N[5](C[5]B[3a]N[5])(C[5]C[5]H)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	B[3a](C[3a]C[3a]C[6a])(C[3a]C[3a]B)(C[5]N[5]2)(NSi2){2|C<4>,4|C<3>}	127.7710	3.807	2	127.7710	14.494	2	127.8712	3.938	6	127.6948	3.732	16	127.6948	3.732	16	127.6948	3.732	16
818	542	981	0:SP2_SP2_SP3	C[5]	N[5]	B[3a]	4:3:3:	3:3:4:	3:3:3:3:	B[3a]-4:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[3a]-3:C[3a]-3:C[5]-3:N-3:	C[5](B[3a]C[3a]2N)(N[5]C[5]C)2	N[5](C[5]B[3a]N[5])(C[5]C[5]H)(CH3)	B[3a](C[3a]C[3a]Si)(C[3a]C[3a]B)(C[5]N[5]2)(NSi2)	C[5](B[3a]C[3a]2N)(N[5]C[5]C)2{1|Si<4>,1|B<3>,2|H<1>}	N[5](C[5]B[3a]N[5])(C[5]C[5]H)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	B[3a](C[3a]C[3a]Si)(C[3a]C[3a]B)(C[5]N[5]2)(NSi2){2|C<3>,2|C<4>}	127.8970	1.113	2	127.8970	1.239	2	127.8712	3.938	6	127.6948	3.732	16	127.6948	3.732	16	127.6948	3.732	16
818	542	981	0:SP2_SP2_SP3	C[5]	N[5]	B[3a]	4:3:3:	3:3:4:	3:3:3:3:	B[3a]-4:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[3a]-3:C[3a]-3:C[6a]-3:C[5]-3:	C[5](B[3a]C[3a]2C[6a])(N[5]C[5]C)2	N[5](C[5]B[3a]N[5])(C[5]C[5]H)(CH3)	B[3a](C[3a]C[3a]C[6a])2(C[6a]C[6a]2)(C[5]N[5]2)	C[5](B[3a]C[3a]2C[6a])(N[5]C[5]C)2{2|H<1>,4|C<3>}	N[5](C[5]B[3a]N[5])(C[5]C[5]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	B[3a](C[3a]C[3a]C[6a])2(C[6a]C[6a]2)(C[5]N[5]2){4|C<4>,8|C<3>}	127.6050	1.160	2	127.6050	1.345	2	127.6050	1.345	2	127.6948	3.732	16	127.6948	3.732	16	127.6948	3.732	16
818	542	983	0:SP2_SP1_SP2	C[5]	N[5]	C	3:2:2:	3:3:4:	3:2:	N[5]-3:S[5]-2:C-2:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:C-2:	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(CC)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(CCHH)	C(C[5]N[5]S[5])(CC)	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(CC){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(CCHH){1|H<1>,2|C<3>}	C(C[5]N[5]S[5])(CC)	125.0320	0.000	1	125.0320	0.000	1	125.0320	0.000	1	125.0320	0.000	1	123.8470	4.871	35	123.8470	4.871	35
818	542	983	0:SP2_SP1_SP2	C[5]	N[5]	C	3:3:2:	3:2:1:	3:1:	C[5]-3:N[5]-3:C-2:	C[5]-3:O[5]-2:O-1:	C[5]-3:N-1:	C[5](C[5]C[5a]N[5])(N[5]O[5]O)(CN)	N[5](C[5]C[5]C)(O[5]N[5])(O)	C(C[5]C[5]N[5])(N)	C[5](C[5]C[5a]N[5])(N[5]O[5]O)(CN){1|N<2>,1|O<2>}	N[5](C[5]C[5]C)(O[5]N[5])(O){1|C<3>}	C(C[5]C[5]N[5])(N)	120.9790	0.000	1	120.9790	0.000	1	120.9790	0.000	1	120.9790	0.000	1	123.8470	4.871	35	123.8470	4.871	35
818	542	983	0:SP2_SP1_SP2	C[5]	N[5]	C	3:3:2:	3:2:4:	3:2:	C[5]-3:N[5]-3:C-2:	C[5]-3:N[5]-2:C-4:	C[5]-3:C-2:	C[5](C[5]N[5]Pd)(N[5]N[5]C)(CC)	N[5](C[5]C[5]C)(N[5]N[5])(CH3)	C(C[5]C[5]N[5])(CO)	C[5](C[5]N[5]Pd)(N[5]N[5]C)(CC){1|C<3>}	N[5](C[5]C[5]C)(N[5]N[5])(CH3){1|Pd<4>,1|C<3>}	C(C[5]C[5]N[5])(CO)	124.0610	0.000	1	124.0610	0.000	1	124.0610	0.000	1	124.0610	0.000	1	123.8470	4.871	35	123.8470	4.871	35
818	542	983	0:SP2_SP1_SP2	C[5]	N[5]	C	3:3:2:	3:3:1:	3:2:	N[5]-3:N[5]-3:C-2:	C[5,6a]-3:C[5]-3:H-1:	C[5]-3:C-2:	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(CC)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C(C[5]N[5]2)(CC[6a])	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(CC){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[5]N[5]2)(CC[6a])	123.7360	0.000	1	123.7360	0.000	1	123.7360	0.000	1	123.7360	0.000	1	123.8470	4.871	35	123.8470	4.871	35
818	542	983	0:SP2_SP1_SP2	C[5]	N[5]	C	3:3:2:	3:3:2:	3:2:	N[5]-3:C[5]-3:C-2:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:C-2:	C[5](N[5]C[6a]N[5])(C[5]N[5]H)(CC)	N[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]N[5])	C(C[5]C[5]N[5])(CH)	C[5](N[5]C[6a]N[5])(C[5]N[5]H)(CC){1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]N[5]){1|C<4>,2|C<3>,3|H<1>}	C(C[5]C[5]N[5])(CH)	124.1580	0.000	1	124.1580	0.000	1	124.1580	0.000	1	124.1580	0.000	1	123.8470	4.871	35	123.8470	4.871	35
818	542	983	0:SP2_SP1_SP2	C[5]	N[5]	C	3:3:2:	3:3:3:	3:2:	N[5]-3:N[5]-3:C-2:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:P-2:	C[5](N[5]C[6a]C[5])2(CP)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C)	C(C[5]N[5]2)(PO)	C[5](N[5]C[6a]C[5])2(CP){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C){1|H<1>,2|C<4>,3|C<3>}	C(C[5]N[5]2)(PO)	127.6675	0.142	2	127.6675	0.020	2	127.6675	0.020	2	127.6675	0.020	2	123.8470	4.871	35	123.8470	4.871	35
818	542	983	0:SP2_SP1_SP2	C[5]	N[5]	C	3:3:2:	3:3:4:	3:1:	C[5]-3:N[5]-3:C-2:	C[5]-3:C[5]-3:C-4:	C[5]-3:N-1:	C[5](C[5]N[5]C)(N[5]C[5]C)(CN)	N[5](C[5]C[5]C)(C[5]N[5]H)(CH3)	C(C[5]C[5]N[5])(N)	C[5](C[5]N[5]C)(N[5]C[5]C)(CN){1|Cu<5>,1|H<1>}	N[5](C[5]C[5]C)(C[5]N[5]H)(CH3){1|Cu<5>,1|C<3>}	C(C[5]C[5]N[5])(N)	123.9970	0.000	1	123.9970	0.000	1	123.8688	0.409	6	123.8688	0.409	6	123.8470	4.871	35	123.8470	4.871	35
818	542	983	0:SP2_SP1_SP2	C[5]	N[5]	C	3:3:2:	3:3:4:	3:1:	C[5]-3:N[5]-3:C-2:	C[5]-3:C[5]-3:C-4:	C[5]-3:N-1:	C[5](C[5]N[5]C)(N[5]C[5]C)(CN)	N[5](C[5]N[5]Pd)(C[5]C[5]C)(CCHH)	C(C[5]C[5]N[5])(N)	C[5](C[5]N[5]C)(N[5]C[5]C)(CN){1|Pd<4>,1|C<4>}	N[5](C[5]N[5]Pd)(C[5]C[5]C)(CCHH){1|C<2>,1|C<4>}	C(C[5]C[5]N[5])(N)	123.4475	0.996	2	123.4475	0.993	2	123.8688	0.409	6	123.8688	0.409	6	123.8470	4.871	35	123.8470	4.871	35
818	542	983	0:SP2_SP1_SP2	C[5]	N[5]	C	3:3:2:	3:3:4:	3:1:	C[5]-3:N[5]-3:C-2:	C[5]-3:C[5]-3:C-4:	C[5]-3:N-1:	C[5](C[5]N[5]C)(N[5]C[5]C)(CN)	N[5](C[5]N[5]Pd)(C[5]C[5]C)(CH3)	C(C[5]C[5]N[5])(N)	C[5](C[5]N[5]C)(N[5]C[5]C)(CN){1|Pd<4>,1|C<4>}	N[5](C[5]N[5]Pd)(C[5]C[5]C)(CH3){1|C<2>,1|C<4>}	C(C[5]C[5]N[5])(N)	123.8150	0.031	2	123.8150	0.001	2	123.8688	0.409	6	123.8688	0.409	6	123.8470	4.871	35	123.8470	4.871	35
818	542	983	0:SP2_SP1_SP2	C[5]	N[5]	C	3:3:2:	3:3:4:	3:1:	C[5]-3:N[5]-3:C-2:	C[5]-3:C[5]-3:C-4:	C[5]-3:N-1:	C[5](C[5]N[5]N)(N[5]C[5]C)(CN)	N[5](C[5]C[5]C)(C[5]N[5]H)(CH3)	C(C[5]C[5]N[5])(N)	C[5](C[5]N[5]N)(N[5]C[5]C)(CN){1|C<4>,1|H<1>}	N[5](C[5]C[5]C)(C[5]N[5]H)(CH3){1|C<4>,1|N<3>}	C(C[5]C[5]N[5])(N)	124.6910	0.000	1	124.6910	0.000	1	123.8688	0.409	6	123.8688	0.409	6	123.8470	4.871	35	123.8470	4.871	35
818	542	983	0:SP2_SP1_SP2	C[5]	N[5]	C	3:3:2:	3:3:4:	3:2:	C[5,6]-3:N[5]-3:C-2:	C[5]-3:C[5]-3:S-4:	C[5]-3:O-2:	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]S)(CO)	N[5](C[5]C[5,6]C)(C[5]C[5,6]O)(SC[6]OO)	C(C[5]C[5,6]N[5])(OS)	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]S)(CO){1|O<1>,2|C<2>}	N[5](C[5]C[5,6]C)(C[5]C[5,6]O)(SC[6]OO){2|C<2>}	C(C[5]C[5,6]N[5])(OS)	125.0155	0.367	2	125.0155	0.135	2	125.0155	0.135	2	125.0033	1.314	10	123.8470	4.871	35	123.8470	4.871	35
818	542	983	0:SP2_SP1_SP2	C[5]	N[5]	C	3:3:2:	3:3:4:	3:2:	C[5,6a]-3:N[5]-3:C-2:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-2:	C[5](C[5,6a]N[5,6a]C[6a])(N[5]C[5]C)(CC)	N[5](C[5]N[5,6a]Rh)(C[5]C[5,6a]C)(CH3)	C(C[5]C[5,6a]N[5])(CC[6a])	C[5](C[5,6a]N[5,6a]C[6a])(N[5]C[5]C)(CC){1|Rh<4>,1|H<1>,2|C<3>}	N[5](C[5]N[5,6a]Rh)(C[5]C[5,6a]C)(CH3){2|C<3>}	C(C[5]C[5,6a]N[5])(CC[6a])	123.2285	0.609	2	123.2285	0.371	2	123.2285	0.371	2	125.0033	1.314	10	123.8470	4.871	35	123.8470	4.871	35
818	542	983	0:SP2_SP1_SP2	C[5]	N[5]	C	3:3:2:	3:3:4:	3:2:	C[5]-3:N[5]-3:C-2:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-2:	C[5](C[5]N[5]H)(N[5]C[5]C)(CC)	N[5](C[5]C[5]C)(C[5]N[5]H)(CH3)	C(C[5]C[5]N[5])(CAu)	C[5](C[5]N[5]H)(N[5]C[5]C)(CC){1|Re<6>,1|H<1>}	N[5](C[5]C[5]C)(C[5]N[5]H)(CH3){1|Re<6>,1|H<1>}	C(C[5]C[5]N[5])(CAu)	124.2760	0.000	1	124.2760	0.000	1	124.2760	0.000	1	125.0033	1.314	10	123.8470	4.871	35	123.8470	4.871	35
818	542	983	0:SP2_SP1_SP2	C[5]	N[5]	C	3:3:2:	3:3:4:	3:2:	N[5]-3:N[5]-3:C-2:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:C-2:	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(CC)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C(C[5]N[5]2)(CC[6a])	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(CC){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){2|C<3>,2|H<1>}	C(C[5]N[5]2)(CC[6a])	125.2470	0.000	1	125.2470	0.000	1	125.2470	0.000	1	125.0033	1.314	10	123.8470	4.871	35	123.8470	4.871	35
818	542	983	0:SP2_SP1_SP2	C[5]	N[5]	C	3:3:2:	3:3:4:	3:2:	N[5]-3:N[5]-3:C-2:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-2:	C[5](N[5]C[5]C)2(CC)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(C[5]N[5]2)(CPd)	C[5](N[5]C[5]C)2(CC){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|C<4>,1|H<1>}	C(C[5]N[5]2)(CPd)	126.0055	0.373	4	126.0055	0.139	4	126.0055	0.139	4	125.0033	1.314	10	123.8470	4.871	35	123.8470	4.871	35
818	542	983	0:SP2_SP1_SP2	C[5]	N[5]	C	3:4:2:	3:4:3:	3:2:	N[5]-3:C[5]-4:C-2:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C-2:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(CC)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]C)	C(C[5]C[5]N[5])(CC)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(CC){2|C<3>,2|C<4>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]C){2|C<3>,2|H<1>,4|C<4>}	C(C[5]C[5]N[5])(CC)	122.7847	0.402	3	122.7847	0.162	3	123.1399	2.085	7	123.6801	4.122	8	123.8470	4.871	35	123.8470	4.871	35
818	542	983	0:SP2_SP1_SP2	C[5]	N[5]	C	3:4:2:	3:4:3:	3:2:	N[5]-3:C[5]-4:C-2:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C-2:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(CC)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]C)	C(C[5]C[5]N[5])(CC[5])	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(CC){2|C<3>,2|C<4>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]C){2|C<3>,2|H<1>,4|C<4>}	C(C[5]C[5]N[5])(CC[5])	124.3443	0.695	3	124.3443	0.483	3	123.1399	2.085	7	123.6801	4.122	8	123.8470	4.871	35	123.8470	4.871	35
818	542	983	0:SP2_SP1_SP2	C[5]	N[5]	C	3:4:2:	3:4:3:	3:2:	N[5]-3:C[5]-4:C-2:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C-2:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(CC)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]C)	C(C[5]C[5]N[5])(CC[6a])	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(CC){2|C<3>,2|C<4>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]C){2|C<3>,2|H<1>,4|C<4>}	C(C[5]C[5]N[5])(CC[6a])	120.5920	0.000	1	120.5920	0.000	1	123.1399	2.085	7	123.6801	4.122	8	123.8470	4.871	35	123.8470	4.871	35
818	542	983	0:SP2_SP1_SP2	C[5]	N[5]	C	3:4:2:	3:4:3:	3:2:	N[5]-3:C[5]-4:C-2:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:P-2:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(CP)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]C)	C(C[5]C[5]N[5])(PP[4])	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(CP){2|C<3>,2|C<4>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]C){2|C<3>,2|H<1>,4|C<4>}	C(C[5]C[5]N[5])(PP[4])	127.4620	0.000	1	127.4620	0.000	1	127.4620	0.000	1	123.6801	4.122	8	123.8470	4.871	35	123.8470	4.871	35
818	542	983	0:SP2_SP1_SP2	C[5]	N[5]	C	4:3:2:	3:3:4:	3:2:	C[5,6]-4:N[5]-3:C-2:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-3:C-2:	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(CC)	N[5](C[5]C[5,6]C)(C[6a]C[6a]2)(C[5]C[5]CC)	C(C[5]C[5,6]N[5])(CC[6a])	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(CC){2|C<3>,5|C<4>,5|H<1>}	N[5](C[5]C[5,6]C)(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	C(C[5]C[5,6]N[5])(CC[6a])	119.6645	0.327	4	119.6645	0.107	4	119.6645	0.107	4	119.6645	0.107	4	123.8470	4.871	35	123.8470	4.871	35
818	542	984	0:SP2_SP-NON_SP2	C[5]	N[5,5]	Ga	3:3:4:	3:3:4:	3:1:1:1:	N[5,5]-3:N[5,5]-3:Ga-4:	C[5,5]-3:C[5]-3:C[5]-4:	C[5]-3:Br-1:Br-1:Br-1:	C[5](N[5,5]C[5,5]C[5])2(GaBr3)	N[5,5](C[5,5]C[5,5]O[5])(C[5]N[5,5]Ga)(C[5]C[5]CC)	Ga(C[5]N[5,5]2)(Br)3	C[5](N[5,5]C[5,5]C[5])2(GaBr3){2|O<2>,6|C<4>}	N[5,5](C[5,5]C[5,5]O[5])(C[5]N[5,5]Ga)(C[5]C[5]CC){1|C<4>,1|O<2>,2|H<1>}	Ga(C[5]N[5,5]2)(Br)3	128.4080	2.936	2	128.4080	8.620	2	128.4080	8.620	2	128.4197	4.749	4	128.4488	4.900	8	126.8790	7.375	86
818	542	984	0:SP2_SP-NON_SP2	C[5]	N[5,5]	Ga	3:3:4:	3:3:4:	3:1:1:1:	N[5,5]-3:N[5,5]-3:Ga-4:	C[5,5]-3:C[5]-3:C[5]-4:	C[5]-3:I-1:I-1:I-1:	C[5](N[5,5]C[5,5]C[5])2(GaI3)	N[5,5](C[5,5]C[5,5]O[5])(C[5]N[5,5]Ga)(C[5]C[5]CC)	Ga(C[5]N[5,5]2)(I)3	C[5](N[5,5]C[5,5]C[5])2(GaI3){2|O<2>,6|C<4>}	N[5,5](C[5,5]C[5,5]O[5])(C[5]N[5,5]Ga)(C[5]C[5]CC){1|C<4>,1|O<2>,2|H<1>}	Ga(C[5]N[5,5]2)(I)3	128.4315	2.372	2	128.4315	5.628	2	128.4315	5.628	2	128.4197	4.749	4	128.4488	4.900	8	126.8790	7.375	86
818	542	984	0:SP2_SP-NON_SP2	C[5]	N[5,5]	Ga	3:3:4:	3:3:4:	3:3:1:1:	N[5,5]-3:N[5,5]-3:Ga-4:	C[5,5]-3:C[5]-3:C[5]-4:	C[5]-3:C[5]-3:Cl-1:Cl-1:	C[5](N[5,5]C[5,5]C[5])2(GaC[5]Cl2)	N[5,5](C[5,5]C[5,5]O[5])(C[5]N[5,5]Ga)(C[5]C[5]CC)	Ga(C[5]N[5,5]2)2(Cl)2	C[5](N[5,5]C[5,5]C[5])2(GaC[5]Cl2){2|O<2>,6|C<4>}	N[5,5](C[5,5]C[5,5]O[5])(C[5]N[5,5]Ga)(C[5]C[5]CC){1|C<4>,1|O<2>,2|H<1>}	Ga(C[5]N[5,5]2)2(Cl)2	128.4778	2.585	4	128.4778	6.682	4	128.4778	6.682	4	128.4778	6.682	4	128.4488	4.900	8	126.8790	7.375	86
818	542	984	0:SP2_SP-NON_SP2	C[5]	N[5]	Ga	3:3:4:	3:3:3:	3:1:1:1:	N[5]-3:C[5]-3:Ga-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:Cl-1:Cl-1:Cl-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(GaCl3)	N[5](C[6a]C[6a]2)(C[5]C[5]Ga)(C[5]N[5]H)	Ga(C[5]C[5]N[5])(Cl)3	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(GaCl3){1|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]Ga)(C[5]N[5]H){1|H<1>,2|C<4>,3|C<3>}	Ga(C[5]C[5]N[5])(Cl)3	131.4200	0.000	1	131.4200	0.000	1	131.4200	0.000	1	128.0942	16.540	5	126.7180	7.414	78	126.8790	7.375	86
818	542	984	0:SP2_SP-NON_SP2	C[5]	N[5]	Ga	3:3:4:	3:3:3:	3:1:1:1:	N[5]-3:N[5]-3:Ga-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:Cl-1:Cl-1:H-1:	C[5](N[5]C[6a]C[5])2(GaCl2H)	N[5](C[6a]C[6a]2)(C[5]N[5]Ga)(C[5]C[5]H)	Ga(C[5]N[5]2)(Cl)2(H)	C[5](N[5]C[6a]C[5])2(GaCl2H){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ga)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	Ga(C[5]N[5]2)(Cl)2(H)	127.3360	6.501	2	127.3360	42.265	2	127.3360	42.265	2	128.0942	16.540	5	126.7180	7.414	78	126.8790	7.375	86
818	542	984	0:SP2_SP-NON_SP2	C[5]	N[5]	Ga	3:3:4:	3:3:3:	3:1:1:1:	N[5]-3:N[5]-3:Ga-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:F-1:F-1:F-1:	C[5](N[5]C[6a]C[5])2(GaF3)	N[5](C[6a]C[6a]2)(C[5]N[5]Ga)(C[5]C[5]H)	Ga(C[5]N[5]2)(F)3	C[5](N[5]C[6a]C[5])2(GaF3){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ga)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	Ga(C[5]N[5]2)(F)3	127.1895	3.170	2	127.1895	10.049	2	127.1895	10.049	2	128.0942	16.540	5	126.7180	7.414	78	126.8790	7.375	86
818	542	984	0:SP2_SP-NON_SP2	C[5]	N[5]	Ga	3:3:4:	3:3:3:	3:2:1:1:	N[5]-3:N[5]-3:Ga-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:F-2:Cl-1:Cl-1:	C[5](N[5]C[6a]C[5])2(GaCl2F)	N[5](C[6a]C[6a]2)(C[5]N[5]Ga)(C[5]C[5]H)	Ga(C[5]N[5]2)(FB)(Cl)2	C[5](N[5]C[6a]C[5])2(GaCl2F){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ga)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	Ga(C[5]N[5]2)(FB)(Cl)2	127.0490	2.594	3	127.0490	6.731	3	127.0460	10.440	5	127.0460	10.440	5	126.7180	7.414	78	126.8790	7.375	86
818	542	984	0:SP2_SP-NON_SP2	C[5]	N[5]	Ga	3:3:4:	3:3:3:	3:2:1:1:	N[5]-3:N[5]-3:Ga-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:F-2:Cl-1:Cl-1:	C[5](N[5]C[6a]C[5])2(GaCl2F)	N[5](C[6a]C[6a]2)(C[5]N[5]Ga)(C[5]C[5]H)	Ga(C[5]N[5]2)(FSb)(Cl)2	C[5](N[5]C[6a]C[5])2(GaCl2F){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ga)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	Ga(C[5]N[5]2)(FSb)(Cl)2	127.0415	5.320	2	127.0415	28.298	2	127.0460	10.440	5	127.0460	10.440	5	126.7180	7.414	78	126.8790	7.375	86
818	542	984	0:SP2_SP-NON_SP2	C[5]	N[5]	Ga	3:3:4:	3:3:3:	3:2:2:1:	N[5]-3:N[5]-3:Ga-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:O-2:O-2:H-1:	C[5](N[5]C[6a]C[5])2(GaHOO)	N[5](C[6a]C[6a]2)(C[5]N[5]Ga)(C[5]C[5]H)	Ga(C[5]N[5]2)(OS)2(H)	C[5](N[5]C[6a]C[5])2(GaHOO){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ga)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	Ga(C[5]N[5]2)(OS)2(H)	126.7795	6.264	2	126.7795	39.241	2	126.7795	39.241	2	126.7795	39.241	2	126.7180	7.414	78	126.8790	7.375	86
818	542	984	0:SP2_SP-NON_SP2	C[5]	N[5]	Ga	3:3:4:	3:3:3:	3:3:1:1:	N[5]-3:N[5]-3:Ga-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N-3:Cl-1:Cl-1:	C[5](N[5]C[6a]C[5])2(GaCl2N)	N[5](C[6a]C[6a]2)(C[5]N[5]Ga)(C[5]C[5]H)	Ga(C[5]N[5]2)(NSi2)(Cl)2	C[5](N[5]C[6a]C[5])2(GaCl2N){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ga)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	Ga(C[5]N[5]2)(NSi2)(Cl)2	127.7335	0.551	2	127.7335	0.303	2	127.7335	0.303	2	127.7335	0.303	2	126.7180	7.414	78	126.8790	7.375	86
818	542	984	0:SP2_SP-NON_SP2	C[5]	N[5]	Ga	3:3:4:	3:3:3:	3:3:4:4:	N[5]-3:C[5]-3:Ga-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:P-3:C-4:C-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(GaCCP)	N[5](C[6a]C[6a]2)(C[5]C[5]Ga)(C[5]N[5]H)	Ga(C[5]C[5]N[5])(PSiH)(CC3)2	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(GaCCP){1|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]Ga)(C[5]N[5]H){1|H<1>,2|C<4>,3|C<3>}	Ga(C[5]C[5]N[5])(PSiH)(CC3)2	135.5790	0.000	1	135.5790	0.000	1	135.5790	0.000	1	135.5790	0.000	1	126.7180	7.414	78	126.8790	7.375	86
818	542	984	0:SP2_SP-NON_SP2	C[5]	N[5]	Ga	3:3:4:	3:3:3:	3:4:4:4:	N[5]-3:C[5]-3:Ga-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C-4:C-4:C-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(GaC3)	N[5](C[6a]C[6a]2)(C[5]C[5]Ga)(C[5]N[5]H)	Ga(C[5]C[5]N[5])(CSiHH)3	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(GaC3){1|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]Ga)(C[5]N[5]H){1|H<1>,2|C<4>,3|C<3>}	Ga(C[5]C[5]N[5])(CSiHH)3	131.1760	0.000	1	131.1760	0.000	1	131.1760	0.000	1	128.5254	2.219	5	126.7180	7.414	78	126.8790	7.375	86
818	542	984	0:SP2_SP-NON_SP2	C[5]	N[5]	Ga	3:3:4:	3:3:3:	3:4:4:4:	N[5]-3:N[5]-3:Ga-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C-4:C-4:C-4:	C[5](N[5]C[6a]C[5])2(GaC3)	N[5](C[6a]C[6a]2)(C[5]N[5]Ga)(C[5]C[5]H)	Ga(C[5]N[5]2)(CH3)3	C[5](N[5]C[6a]C[5])2(GaC3){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ga)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	Ga(C[5]N[5]2)(CH3)3	127.8628	0.177	4	127.8628	0.031	4	127.8628	0.031	4	128.5254	2.219	5	126.7180	7.414	78	126.8790	7.375	86
818	542	984	0:SP2_SP-NON_SP2	C[5]	N[5]	Ga	3:3:4:	3:3:3:	4:3:1:1:	N[5]-3:N[5]-3:Ga-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5](N[5]C[6a]C[5])2(GaC[5]HH)	N[5](C[6a]C[6a]2)(C[5]N[5]Ga)(C[5]C[5]H)	Ga(C[5]C[5]N[5]H)(C[5]N[5]2)(H)2	C[5](N[5]C[6a]C[5])2(GaC[5]HH){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ga)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	Ga(C[5]C[5]N[5]H)(C[5]N[5]2)(H)2	127.8565	1.019	2	127.8565	1.038	2	127.8565	1.038	2	127.8565	1.038	2	126.7180	7.414	78	126.8790	7.375	86
818	542	984	0:SP2_SP-NON_SP2	C[5]	N[5]	Ga	3:3:4:	3:3:4:	3:1:1:1:	N[5]-3:N[5]-3:Ga-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:Cl-1:Cl-1:Cl-1:	C[5](N[5]C[5]C)2(GaCl3)	N[5](C[5]N[5]Ga)(C[5]C[5]C)(CCCH)	Ga(C[5]N[5]2)(Cl)3	C[5](N[5]C[5]C)2(GaCl3){2|C<4>}	N[5](C[5]N[5]Ga)(C[5]C[5]C)(CCCH){2|C<4>}	Ga(C[5]N[5]2)(Cl)3	126.8300	5.845	2	126.8300	34.163	2	126.8775	17.976	4	127.2120	10.479	8	126.7180	7.414	78	126.8790	7.375	86
818	542	984	0:SP2_SP-NON_SP2	C[5]	N[5]	Ga	3:3:4:	3:3:4:	3:1:1:1:	N[5]-3:N[5]-3:Ga-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:Cl-1:Cl-1:Cl-1:	C[5](N[5]C[5]C)2(GaCl3)	N[5](C[5]N[5]Ga)(C[5]C[5]H)(CH3)	Ga(C[5]N[5]2)(Cl)3	C[5](N[5]C[5]C)2(GaCl3){2|H<1>}	N[5](C[5]N[5]Ga)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	Ga(C[5]N[5]2)(Cl)3	126.9250	4.445	2	126.9250	19.757	2	126.8775	17.976	4	127.2120	10.479	8	126.7180	7.414	78	126.8790	7.375	86
818	542	984	0:SP2_SP-NON_SP2	C[5]	N[5]	Ga	3:3:4:	3:3:4:	3:1:1:1:	N[5]-3:N[5]-3:Ga-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:Cl-1:Cl-1:H-1:	C[5](N[5]C[5]C)2(GaCl2H)	N[5](C[5]N[5]Ga)(C[5]C[5]C)(CCCH)	Ga(C[5]N[5]2)(Cl)2(H)	C[5](N[5]C[5]C)2(GaCl2H){2|C<4>}	N[5](C[5]N[5]Ga)(C[5]C[5]C)(CCCH){2|C<4>}	Ga(C[5]N[5]2)(Cl)2(H)	127.4275	2.829	2	127.4275	8.004	2	127.4275	8.004	2	127.2120	10.479	8	126.7180	7.414	78	126.8790	7.375	86
818	542	984	0:SP2_SP-NON_SP2	C[5]	N[5]	Ga	3:3:4:	3:3:4:	3:1:1:1:	N[5]-3:N[5]-3:Ga-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](N[5]C[5]C)2(GaH3)	N[5](C[5]N[5]Ga)(C[5]C[5]C)(CH3)	Ga(C[5]N[5]2)(H)3	C[5](N[5]C[5]C)2(GaH3){2|C<4>}	N[5](C[5]N[5]Ga)(C[5]C[5]C)(CH3){2|C<4>}	Ga(C[5]N[5]2)(H)3	127.6655	3.235	2	127.6655	10.465	2	127.6655	10.465	2	127.2120	10.479	8	126.7180	7.414	78	126.8790	7.375	86
818	542	984	0:SP2_SP-NON_SP2	C[5]	N[5]	Ga	3:3:4:	3:3:4:	4:3:1:1:	N[5]-3:N[5]-3:Ga-4:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5](N[5]C[5]C)2(GaC[5]HH)	N[5](C[5]N[5]Ga)(C[5]C[5]C)(CCCH)	Ga(C[5]C[5]N[5]H)(C[5]N[5]2)(H)2	C[5](N[5]C[5]C)2(GaC[5]HH){2|C<4>}	N[5](C[5]N[5]Ga)(C[5]C[5]C)(CCCH){2|C<4>}	Ga(C[5]C[5]N[5]H)(C[5]N[5]2)(H)2	127.3470	3.165	2	127.3470	10.017	2	127.7073	3.019	6	127.7073	3.019	6	126.7180	7.414	78	126.8790	7.375	86
818	542	984	0:SP2_SP-NON_SP2	C[5]	N[5]	Ga	3:3:4:	3:3:4:	4:3:1:1:	N[5]-3:N[5]-3:Ga-4:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5](N[5]C[5]C)2(GaC[5]HH)	N[5](C[5]N[5]Ga)(C[5]C[5]C)(CH3)	Ga(C[5]C[5]N[5]H)(C[5]N[5]2)(H)2	C[5](N[5]C[5]C)2(GaC[5]HH){2|C<4>}	N[5](C[5]N[5]Ga)(C[5]C[5]C)(CH3){2|C<4>}	Ga(C[5]C[5]N[5]H)(C[5]N[5]2)(H)2	127.8875	1.250	4	127.8875	1.563	4	127.7073	3.019	6	127.7073	3.019	6	126.7180	7.414	78	126.8790	7.375	86
818	542	984	0:SP2_SP-NON_SP2	C[5]	N[5]	Ga	3:3:4:	3:4:3:	3:1:1:1:	N[5]-3:N[5]-3:Ga-4:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:H-1:H-1:H-1:	C[5](N[5]C[6a]C[5])2(GaH3)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ga)	Ga(C[5]N[5]2)(H)3	C[5](N[5]C[6a]C[5])2(GaH3){4|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ga){2|C<4>,2|H<1>,3|C<3>}	Ga(C[5]N[5]2)(H)3	125.6035	1.821	4	125.6035	3.317	4	125.6035	3.317	4	125.6035	3.317	4	126.7180	7.414	78	126.8790	7.375	86
818	542	984	0:SP2_SP-NON_SP2	C[5]	N[5]	Ga	3:3:4:	3:4:3:	3:2:4:4:	N[5]-3:N[5]-3:Ga-4:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:O-2:C-4:C-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(GaCCO)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ga)	Ga(C[5]N[5]2)(OC[6a])(CH3)2	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(GaCCO){2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ga){2|C<3>,2|H<1>,3|C<4>}	Ga(C[5]N[5]2)(OC[6a])(CH3)2	127.9240	2.492	2	127.9240	6.209	2	127.9240	6.209	2	127.9240	6.209	2	126.7180	7.414	78	126.8790	7.375	86
818	542	984	0:SP2_SP-NON_SP2	C[5]	N[5]	Ga	3:3:4:	3:4:3:	3:3:4:4:	N[5]-3:N[5]-3:Ga-4:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:O-3:C-4:C-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(GaCCO)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ga)	Ga(C[5]N[5]2)(OGaC)(CH3)2	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(GaCCO){2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ga){2|C<3>,2|H<1>,3|C<4>}	Ga(C[5]N[5]2)(OGaC)(CH3)2	126.4370	0.000	1	126.4370	0.000	1	126.4370	0.000	1	126.4370	0.000	1	126.7180	7.414	78	126.8790	7.375	86
818	542	984	0:SP2_SP-NON_SP2	C[5]	N[5]	Ga	3:3:4:	3:4:3:	3:4:4:2:	N[5]-3:N[5]-3:Ga-4:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C-4:C-4:O-2:	C[5](N[5]C[6a]C[5])2(GaCCO)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ga)	Ga(C[5]N[5]2)(CH3)2(OC)	C[5](N[5]C[6a]C[5])2(GaCCO){4|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ga){2|C<4>,2|H<1>,3|C<3>}	Ga(C[5]N[5]2)(CH3)2(OC)	125.6180	1.266	4	125.6180	1.602	4	125.6180	1.602	4	125.6180	1.602	4	126.7180	7.414	78	126.8790	7.375	86
818	542	984	0:SP2_SP-NON_SP2	C[5]	N[5]	Ga	3:3:4:	3:4:3:	3:4:4:4:	N[5]-3:N[5]-3:Ga-4:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C-4:C-4:C-4:	C[5](N[5]C[6a]C[5])2(GaC3)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ga)	Ga(C[5]N[5]2)(CH3)3	C[5](N[5]C[6a]C[5])2(GaC3){4|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ga){2|C<4>,2|H<1>,3|C<3>}	Ga(C[5]N[5]2)(CH3)3	125.4496	1.438	16	125.4496	2.068	16	125.4496	2.068	16	125.4496	2.068	16	126.7180	7.414	78	126.8790	7.375	86
818	542	984	0:SP2_SP-NON_SP2	C[5]	N[5]	Ga	3:3:4:	4:3:4:	3:3:4:4:	N[5]-3:N[5]-3:Ga-4:	C[5]-4:C[5]-3:C-4:	C[5]-3:O-3:C-4:C-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(GaCCO)	N[5](C[5]C[5]HH)(C[5]N[5]Ga)(CCHH)	Ga(C[5]N[5]2)(OGaC)(CH3)2	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(GaCCO){2|C<3>,4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]Ga)(CCHH){1|C<3>,2|H<1>}	Ga(C[5]N[5]2)(OGaC)(CH3)2	124.4780	0.000	1	124.4780	0.000	1	124.4780	0.000	1	124.4780	0.000	1	126.7180	7.414	78	126.8790	7.375	86
818	542	984	0:SP2_SP-NON_SP2	C[5]	N[5]	Ga	3:4:4:	3:4:3:	3:1:1:1:	N[5]-3:C[5]-4:Ga-4:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:Cl-1:Cl-1:Cl-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(GaCl3)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Ga)	Ga(C[5]C[5]N[5])(Cl)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(GaCl3){2|C<3>,2|C<4>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Ga){2|C<3>,2|H<1>,4|C<4>}	Ga(C[5]C[5]N[5])(Cl)3	127.5340	0.000	1	127.5340	0.000	1	127.5340	0.000	1	124.8140	14.797	2	126.7180	7.414	78	126.8790	7.375	86
818	542	984	0:SP2_SP-NON_SP2	C[5]	N[5]	Ga	3:4:4:	3:4:3:	3:1:1:1:	N[5]-3:C[5]-4:Ga-4:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:Cl-1:Cl-1:H-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(GaCl2H)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Ga)	Ga(C[5]C[5]N[5])(Cl)2(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(GaCl2H){2|C<3>,2|C<4>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Ga){2|C<3>,2|H<1>,4|C<4>}	Ga(C[5]C[5]N[5])(Cl)2(H)	122.0940	0.000	1	122.0940	0.000	1	122.0940	0.000	1	124.8140	14.797	2	126.7180	7.414	78	126.8790	7.375	86
818	542	984	0:SP2_SP-NON_SP2	C[5]	N[5]	Ga	4:3:3:	3:3:4:	3:3:1:1:	Ga-4:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:Cl-1:Cl-1:	C[5](GaC[6a]Cl2)(N[5]C[5]C)2	N[5](C[5]N[5]Ga)(C[5]C[5]C)(CCCH)	Ga(C[6a]C[6a]2)(C[5]N[5]2)(Cl)2	C[5](GaC[6a]Cl2)(N[5]C[5]C)2{2|C<4>}	N[5](C[5]N[5]Ga)(C[5]C[5]C)(CCCH){2|C<4>}	Ga(C[6a]C[6a]2)(C[5]N[5]2)(Cl)2	126.7812	3.381	4	126.7812	11.430	4	126.7812	11.430	4	126.7812	11.430	4	126.7180	7.414	78	126.8790	7.375	86
818	542	984	0:SP2_SP-NON_SP2	C[5]	N[5]	Ga	4:3:3:	3:3:4:	4:3:1:1:	Ga-4:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:Cl-1:Cl-1:	C[5](GaC[5]Cl2)(N[5]C[5]C)2	N[5](C[5]N[5]Ga)(C[5]C[5]C)(CCCH)	Ga(C[5]C[5]N[5]H)(C[5]N[5]2)(Cl)2	C[5](GaC[5]Cl2)(N[5]C[5]C)2{2|C<4>}	N[5](C[5]N[5]Ga)(C[5]C[5]C)(CCCH){2|C<4>}	Ga(C[5]C[5]N[5]H)(C[5]N[5]2)(Cl)2	126.8190	3.183	2	126.8190	10.134	2	126.8190	10.134	2	126.5805	2.299	6	126.7180	7.414	78	126.8790	7.375	86
818	542	984	0:SP2_SP-NON_SP2	C[5]	N[5]	Ga	4:3:3:	3:3:4:	4:3:1:1:	Ga-4:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:Cl-1:H-1:	C[5](GaC[5]ClH)(N[5]C[5]C)2	N[5](C[5]N[5]Ga)(C[5]C[5]C)(CCCH)	Ga(C[5]C[5]N[5]H)(C[5]N[5]2)(Cl)(H)	C[5](GaC[5]ClH)(N[5]C[5]C)2{2|C<4>}	N[5](C[5]N[5]Ga)(C[5]C[5]C)(CCCH){2|C<4>}	Ga(C[5]C[5]N[5]H)(C[5]N[5]2)(Cl)(H)	126.4613	0.630	4	126.4613	0.397	4	126.4613	0.397	4	126.5805	2.299	6	126.7180	7.414	78	126.8790	7.375	86
818	542	984	0:SP2_SP-NON_SP2	C[5]	N[5]	Ga	4:3:4:	3:3:4:	3:1:1:1:	C[5,6]-4:N[5]-3:Ga-4:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-3:Cl-1:Cl-1:Cl-1:	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(GaCl3)	N[5](C[5]C[5,6]Ga)(C[6a]C[6a]2)(C[5]C[5]CC)	Ga(C[5]C[5,6]N[5])(Cl)3	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(GaCl3){2|C<3>,4|C<4>,6|H<1>}	N[5](C[5]C[5,6]Ga)(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	Ga(C[5]C[5,6]N[5])(Cl)3	126.2550	0.000	1	123.1705	19.028	2	123.1705	19.028	2	123.1705	19.028	2	126.7180	7.414	78	126.8790	7.375	86
818	542	984	0:SP2_SP-NON_SP2	C[5]	N[5]	Ga	4:3:4:	3:3:4:	3:1:1:1:	C[5,6]-4:N[5]-3:Ga-4:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-3:Cl-1:Cl-1:Cl-1:	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(GaCl3)	N[5](C[5]C[5,6]Ga)(C[6a]C[6a]2)(C[5]C[5]CC)	Ga(C[5]C[5,6]N[5])(Cl)3	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(GaCl3){2|C<3>,5|C<4>,5|H<1>}	N[5](C[5]C[5,6]Ga)(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	Ga(C[5]C[5,6]N[5])(Cl)3	120.0860	0.000	1	123.1705	19.028	2	123.1705	19.028	2	123.1705	19.028	2	126.7180	7.414	78	126.8790	7.375	86
818	542	984	0:SP2_SP-NON_SP3	C[5]	N[5]	Ga	3:3:4:	4:3:4:	3:2:4:4:	N[5]-3:N[5]-3:Ga-4:	C[5]-4:C[5]-3:C-4:	C[5]-3:O-2:C-4:C-4:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(GaCCO)	N[5](C[5]C[5]HH)(C[5]N[5]Ga)(CC[6a]HH)	Ga(C[5]N[5]2)(OC[6a])(CH3)2	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(GaCCO){2|C<3>,4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]Ga)(CC[6a]HH){1|C<3>,2|H<1>}	Ga(C[5]N[5]2)(OC[6a])(CH3)2	122.9215	2.616	2	122.9215	6.841	2	122.9215	6.841	2	122.9215	6.841	2	122.9215	6.841	2	122.9215	6.841	2
818	542	987	0:SP2_SP-NON_SP2	C[5,5]	N[5]	P[5]	3:3:2:	3:3:3:	3:2:	C[5,5]-3:N[5]-3:P[5]-2:	C[5,5]-3:C[5]-3:C[6a]-3:	C[5,5]-3:P[5]-2:	C[5,5](C[5,5]N[5]P[5])(N[5]C[6a]C[5])(P[5]P[5])	N[5](C[5,5]C[5,5]P[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)	P[5](C[5,5]C[5,5]N[5])(P[5]P[5])	C[5,5](C[5,5]N[5]P[5])(N[5]C[6a]C[5])(P[5]P[5]){4|C<3>}	N[5](C[5,5]C[5,5]P[5])(C[5]C[6a]N[5])(C[6a]C[6a]2){2|C<4>,2|P<2>,5|C<3>}	P[5](C[5,5]C[5,5]N[5])(P[5]P[5]){1|N<3>,2|C<3>}	130.7670	0.000	1	130.7670	0.000	1	130.7670	0.000	1	130.7670	0.000	1	129.7307	0.869	7	129.7307	0.869	7
818	542	987	0:SP2_SP-NON_SP2	C[5,5]	N[5]	P[5]	3:3:2:	3:3:3:	3:3:	C[5,5]-3:N[5]-3:P[5]-2:	C[5,5]-3:C[5]-3:C[6a]-3:	C[5,5]-3:P[5]-3:	C[5,5](C[5,5]N[5]P[5])(N[5]C[6a]C[5])(P[5]P[5])	N[5](C[5,5]C[5,5]P[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)	P[5](C[5,5]C[5,5]N[5])(P[5]P[5]Fe)	C[5,5](C[5,5]N[5]P[5])(N[5]C[6a]C[5])(P[5]P[5]){1|Fe<5>,4|C<3>}	N[5](C[5,5]C[5,5]P[5])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|P<2>,1|P<3>,2|C<4>,5|C<3>}	P[5](C[5,5]C[5,5]N[5])(P[5]P[5]Fe){1|N<3>,2|C<3>}	129.1595	0.674	2	129.1595	0.454	2	129.5580	0.792	6	129.5580	0.792	6	129.7307	0.869	7	129.7307	0.869	7
818	542	987	0:SP2_SP-NON_SP2	C[5,5]	N[5]	P[5]	3:3:2:	3:3:3:	3:3:	C[5,5]-3:N[5]-3:P[5]-2:	C[5,5]-3:C[5]-3:C[6a]-3:	C[5,5]-3:P[5]-3:	C[5,5](C[5,5]N[5]P[5])(N[5]C[6a]C[5])(P[5]P[5])	N[5](C[5,5]C[5,5]P[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)	P[5](C[5,5]C[5,5]N[5])(P[5]P[5]Mo)	C[5,5](C[5,5]N[5]P[5])(N[5]C[6a]C[5])(P[5]P[5]){1|Mo<6>,4|C<3>}	N[5](C[5,5]C[5,5]P[5])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|P<2>,1|P<3>,2|C<4>,5|C<3>}	P[5](C[5,5]C[5,5]N[5])(P[5]P[5]Mo){1|N<3>,2|C<3>}	129.7572	1.005	4	129.7572	1.009	4	129.5580	0.792	6	129.5580	0.792	6	129.7307	0.869	7	129.7307	0.869	7
818	542	987	5:SP2_SP-NON_SP2	C[5,5]	N[5,5]	P[5]	3:2:2:	3:3:3:	3:3:	N[5,5]-3:S[5]-2:P[5]-2:	C[5,6a]-3:C[5,5]-3:C[5,5]-3:	N[5,5]-3:C[5,5]-3:	C[5,5](N[5,5]C[5,6a]C[5,5])(S[5]C[5,6a])(P[5]N[5,5])	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]S[5])(C[5,5]P[5]S[5])	P[5](N[5,5]C[5,6a]C[5,5])(C[5,5]N[5,5]S[5])	C[5,5](N[5,5]C[5,6a]C[5,5])(S[5]C[5,6a])(P[5]N[5,5]){1|S<2>,3|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]S[5])(C[5,5]P[5]S[5]){1|H<1>,4|C<3>}	P[5](N[5,5]C[5,6a]C[5,5])(C[5,5]N[5,5]S[5]){1|S<2>,4|C<3>}	114.5810	0.000	1	114.5810	0.000	1	114.5810	0.000	1	114.5810	0.000	1	114.5810	0.000	1	114.7462	2.240	53
818	542	987	5:SP2_SP-NON_SP2	C[5,6]	N[5,6]	P[5]	3:2:3:	3:3:3:	3:3:	N[5,6]-3:P[5]-2:C[6]-3:	C[5,6]-3:C[5,6]-3:C[6]-3:	C[5,6]-3:N[5,6]-3:	C[5,6](N[5,6]C[5,6]C[6])(P[5]N[5,6])(C[6]C[6]H)	N[5,6](C[5,6]N[5,6]C[6])(C[5,6]C[6]P[5])(C[6]C[6]H)	P[5](C[5,6]N[5,6]C[6])(N[5,6]C[5,6]C[6])	C[5,6](N[5,6]C[5,6]C[6])(P[5]N[5,6])(C[6]C[6]H){2|H<1>,3|C<3>}	N[5,6](C[5,6]N[5,6]C[6])(C[5,6]C[6]P[5])(C[6]C[6]H){3|C<3>,3|H<1>}	P[5](C[5,6]N[5,6]C[6])(N[5,6]C[5,6]C[6]){2|H<1>,4|C<3>}	113.7350	0.000	2	113.7350	0.000	2	113.7350	0.000	2	113.7773	0.005	3	115.9621	5.614	8	114.7462	2.240	53
818	542	987	5:SP2_SP-NON_SP2	C[5,6]	N[5,6]	P[5]	3:2:3:	3:3:3:	3:3:	N[5,6]-3:P[5]-2:C[6]-3:	C[6,6a]-3:C[5,6]-3:C[5,6]-3:	N[5,6]-3:C[5,6]-3:	C[5,6](N[5,6]C[6,6a]C[5,6])(P[5]N[5,6])(C[6]C[6]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[6])(C[5,6]C[6]P[5])	P[5](N[5,6]C[6,6a]C[5,6])(C[5,6]N[5,6]C[6])	C[5,6](N[5,6]C[6,6a]C[5,6])(P[5]N[5,6])(C[6]C[6]H){1|H<1>,4|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[6])(C[5,6]C[6]P[5]){3|H<1>,5|C<3>}	P[5](N[5,6]C[6,6a]C[5,6])(C[5,6]N[5,6]C[6]){1|H<1>,5|C<3>}	113.8620	0.000	1	113.8620	0.000	1	113.8620	0.000	1	113.7773	0.005	3	115.9621	5.614	8	114.7462	2.240	53
818	542	987	5:SP2_SP-NON_SP2	C[5,6]	N[5,6]	P[5]	3:3:2:	3:3:3:	3:2:	N[5,6]-3:C[6]-3:P[5]-2:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:P[5]-2:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]H)(P[5]P[5])	N[5,6](C[5,6]C[6]P[5])(C[5]P[5]O)(C[6]C[6]H)	P[5](C[5,6]N[5,6]C[6])(P[5]C[5])	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]H)(P[5]P[5]){1|C<3>,1|O<2>,2|H<1>}	N[5,6](C[5,6]C[6]P[5])(C[5]P[5]O)(C[6]C[6]H){1|C<3>,2|H<1>}	P[5](C[5,6]N[5,6]C[6])(P[5]C[5]){1|H<1>,1|O<2>,2|C<3>}	117.2960	0.000	1	117.2960	0.000	1	117.2960	0.000	1	117.2960	0.000	1	115.9621	5.614	8	114.7462	2.240	53
818	542	987	5:SP2_SP-NON_SP2	C[5,6]	N[5,6]	P[5]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:N[5,6]-3:P[5]-2:	C[5,6]-3:C[6,6a]-3:C[5,6]-3:	C[5,6]-3:N[5,6]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6,6a]C[5,6])(P[5]N[5,6])	N[5,6](C[5,6]C[6,6a]N[5,6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6a]P[5])	P[5](C[5,6]C[6,6a]N[5,6])(N[5,6]C[6,6a]C[5,6])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6,6a]C[5,6])(P[5]N[5,6]){1|H<1>,6|C<3>}	N[5,6](C[5,6]C[6,6a]N[5,6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6a]P[5]){1|H<1>,7|C<3>}	P[5](C[5,6]C[6,6a]N[5,6])(N[5,6]C[6,6a]C[5,6]){6|C<3>}	113.7950	0.000	1	113.7950	0.000	1	113.7950	0.000	1	117.2673	5.458	4	115.9621	5.614	8	114.7462	2.240	53
818	542	987	5:SP2_SP-NON_SP2	C[5,6]	N[5,6]	P[5]	3:3:2:	3:3:3:	3:3:	N[5,6]-3:C[6]-3:P[5]-2:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:P[5]-3:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]H)(P[5]P[5])	N[5,6](C[5,6]C[6]P[5])(C[5]P[5]O)(C[6]C[6]H)	P[5](C[5,6]N[5,6]C[6])(P[5]C[5]Mo)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]H)(P[5]P[5]){1|Mo<6>,1|C<3>,1|O<2>,2|H<1>}	N[5,6](C[5,6]C[6]P[5])(C[5]P[5]O)(C[6]C[6]H){1|Mo<6>,1|C<3>,2|H<1>}	P[5](C[5,6]N[5,6]C[6])(P[5]C[5]Mo){1|H<1>,1|O<2>,2|C<3>}	118.4247	0.386	3	118.4247	0.149	3	118.4247	0.149	3	117.2673	5.458	4	115.9621	5.614	8	114.7462	2.240	53
818	542	987	5:SP2_SP-NON_SP2	C[5]	N[5,6]	P[5]	3:2:2:	3:3:3:	3:2:	N[5,6]-3:P[5]-2:O-2:	C[5,6]-3:C[5]-3:C[6]-3:	C[5]-3:P[5]-2:	C[5](N[5,6]C[5,6]C[6])(P[5]P[5])(OP)	N[5,6](C[5,6]C[6]P[5])(C[5]P[5]O)(C[6]C[6]H)	P[5](C[5]N[5,6]O)(P[5]C[5,6])	C[5](N[5,6]C[5,6]C[6])(P[5]P[5])(OP){1|H<1>,2|C<3>}	N[5,6](C[5,6]C[6]P[5])(C[5]P[5]O)(C[6]C[6]H){1|C<3>,2|H<1>}	P[5](C[5]N[5,6]O)(P[5]C[5,6]){2|C<3>}	118.7820	0.000	1	118.7820	0.000	1	118.7820	0.000	1	118.7820	0.000	1	118.7820	0.000	1	114.7462	2.240	53
818	542	987	5:SP2_SP-NON_SP2	C[5]	N[5]	P[5]	3:2:1:	3:3:4:	3:3:	N[5]-3:P[5]-2:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:	C[5](N[5]C[5,6a]C)(P[5]C[5,6a])(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]H)(CCHH)	P[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)	C[5](N[5]C[5,6a]C)(P[5]C[5,6a])(H){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]H)(CCHH){1|H<1>,2|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H){1|C<4>,1|H<1>,2|C<3>}	116.1150	0.000	1	116.1150	0.000	1	115.8370	0.155	2	115.8370	0.155	2	114.4300	1.065	43	114.7462	2.240	53
818	542	987	5:SP2_SP-NON_SP2	C[5]	N[5]	P[5]	3:2:1:	3:3:4:	3:3:	N[5]-3:P[5]-2:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:	C[5](N[5]C[5,6a]C)(P[5]C[5,6a])(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]H)(CC[6a]CH)	P[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)	C[5](N[5]C[5,6a]C)(P[5]C[5,6a])(H){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]H)(CC[6a]CH){1|H<1>,2|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H){1|C<4>,1|H<1>,2|C<3>}	115.5590	0.000	1	115.5590	0.000	1	115.8370	0.155	2	115.8370	0.155	2	114.4300	1.065	43	114.7462	2.240	53
818	542	987	5:SP2_SP-NON_SP2	C[5]	N[5]	P[5]	3:2:1:	4:3:2:	3:3:	N[5]-3:P[5]-2:H-1:	B-4:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:	C[5](N[5]N[5]B)(P[5]C[5])(H)	N[5](BC[6a]N[5]2)(C[5]P[5]H)(N[5]C[5])	P[5](C[5]N[5]H)2	C[5](N[5]N[5]B)(P[5]C[5])(H){1|H<1>}	N[5](BC[6a]N[5]2)(C[5]P[5]H)(N[5]C[5]){1|H<1>}	P[5](C[5]N[5]H)2{1|B<4>}	114.2780	0.514	3	114.2780	0.264	3	114.2780	0.264	3	114.2780	0.264	3	114.4300	1.065	43	114.7462	2.240	53
818	542	987	5:SP2_SP-NON_SP2	C[5]	N[5]	P[5]	3:2:1:	4:3:3:	3:3:	N[5]-3:P[5]-2:H-1:	B-4:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](N[5]N[5]B)(P[5]C[5])(H)	N[5](BC[6a]N[5]2)(N[5]C[5]Cd)(C[5]P[5]H)	P[5](C[5]N[5]H)2	C[5](N[5]N[5]B)(P[5]C[5])(H){1|Cd<6>,1|H<1>}	N[5](BC[6a]N[5]2)(N[5]C[5]Cd)(C[5]P[5]H){1|H<1>}	P[5](C[5]N[5]H)2{1|Cd<6>,1|B<4>}	114.8760	0.320	6	114.8760	0.102	6	114.7497	0.108	31	114.7497	0.108	31	114.4300	1.065	43	114.7462	2.240	53
818	542	987	5:SP2_SP-NON_SP2	C[5]	N[5]	P[5]	3:2:1:	4:3:3:	3:3:	N[5]-3:P[5]-2:H-1:	B-4:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](N[5]N[5]B)(P[5]C[5])(H)	N[5](BC[6a]N[5]2)(N[5]C[5]Co)(C[5]P[5]H)	P[5](C[5]N[5]H)2	C[5](N[5]N[5]B)(P[5]C[5])(H){1|Co<6>,1|H<1>}	N[5](BC[6a]N[5]2)(N[5]C[5]Co)(C[5]P[5]H){1|H<1>}	P[5](C[5]N[5]H)2{1|Co<6>,1|B<4>}	114.5150	0.318	6	114.5150	0.101	6	114.7497	0.108	31	114.7497	0.108	31	114.4300	1.065	43	114.7462	2.240	53
818	542	987	5:SP2_SP-NON_SP2	C[5]	N[5]	P[5]	3:2:1:	4:3:3:	3:3:	N[5]-3:P[5]-2:H-1:	B-4:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](N[5]N[5]B)(P[5]C[5])(H)	N[5](BC[6a]N[5]2)(N[5]C[5]Fe)(C[5]P[5]H)	P[5](C[5]N[5]H)2	C[5](N[5]N[5]B)(P[5]C[5])(H){1|Fe<6>,1|H<1>}	N[5](BC[6a]N[5]2)(N[5]C[5]Fe)(C[5]P[5]H){1|H<1>}	P[5](C[5]N[5]H)2{1|Fe<6>,1|B<4>}	114.6807	0.200	6	114.6807	0.040	6	114.7497	0.108	31	114.7497	0.108	31	114.4300	1.065	43	114.7462	2.240	53
818	542	987	5:SP2_SP-NON_SP2	C[5]	N[5]	P[5]	3:2:1:	4:3:3:	3:3:	N[5]-3:P[5]-2:H-1:	B-4:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](N[5]N[5]B)(P[5]C[5])(H)	N[5](BC[6a]N[5]2)(N[5]C[5]Mo)(C[5]P[5]H)	P[5](C[5]N[5]H)2	C[5](N[5]N[5]B)(P[5]C[5])(H){1|Mo<8>,1|H<1>}	N[5](BC[6a]N[5]2)(N[5]C[5]Mo)(C[5]P[5]H){1|H<1>}	P[5](C[5]N[5]H)2{1|Mo<8>,1|B<4>}	115.1277	0.162	3	115.1277	0.026	3	114.7497	0.108	31	114.7497	0.108	31	114.4300	1.065	43	114.7462	2.240	53
818	542	987	5:SP2_SP-NON_SP2	C[5]	N[5]	P[5]	3:2:1:	4:3:3:	3:3:	N[5]-3:P[5]-2:H-1:	B-4:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](N[5]N[5]B)(P[5]C[5])(H)	N[5](BC[6a]N[5]2)(N[5]C[5]Ni)(C[5]P[5]H)	P[5](C[5]N[5]H)2	C[5](N[5]N[5]B)(P[5]C[5])(H){1|Ni<6>,1|H<1>}	N[5](BC[6a]N[5]2)(N[5]C[5]Ni)(C[5]P[5]H){1|H<1>}	P[5](C[5]N[5]H)2{1|Ni<6>,1|B<4>}	114.6548	0.272	6	114.6548	0.074	6	114.7497	0.108	31	114.7497	0.108	31	114.4300	1.065	43	114.7462	2.240	53
818	542	987	5:SP2_SP-NON_SP2	C[5]	N[5]	P[5]	3:2:1:	4:3:3:	3:3:	N[5]-3:P[5]-2:H-1:	B-4:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](N[5]N[5]B)(P[5]C[5])(H)	N[5](BC[6a]N[5]2)(N[5]C[5]Pd)(C[5]P[5]H)	P[5](C[5]N[5]H)2	C[5](N[5]N[5]B)(P[5]C[5])(H){1|Pd<4>,1|H<1>}	N[5](BC[6a]N[5]2)(N[5]C[5]Pd)(C[5]P[5]H){1|H<1>}	P[5](C[5]N[5]H)2{1|Pd<4>,1|B<4>}	114.6330	0.550	2	114.6330	0.303	2	114.7497	0.108	31	114.7497	0.108	31	114.4300	1.065	43	114.7462	2.240	53
818	542	987	5:SP2_SP-NON_SP2	C[5]	N[5]	P[5]	3:2:1:	4:3:3:	3:3:	N[5]-3:P[5]-2:H-1:	B-4:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](N[5]N[5]B)(P[5]C[5])(H)	N[5](BC[6a]N[5]2)(N[5]C[5]Ti)(C[5]P[5]H)	P[5](C[5]N[5]H)2	C[5](N[5]N[5]B)(P[5]C[5])(H){1|Ti<6>,1|H<1>}	N[5](BC[6a]N[5]2)(N[5]C[5]Ti)(C[5]P[5]H){1|H<1>}	P[5](C[5]N[5]H)2{1|Ti<6>,1|B<4>}	115.1165	0.269	2	115.1165	0.073	2	114.7497	0.108	31	114.7497	0.108	31	114.4300	1.065	43	114.7462	2.240	53
818	542	987	5:SP2_SP-NON_SP2	C[5]	N[5]	P[5]	3:2:2:	3:3:2:	3:3:	N[5]-3:P[5]-2:N-2:	C[6a]-3:C[5]-3:P[5]-2:	N[5]-3:C[5]-3:	C[5](N[5]C[6a]P[5])(P[5]N[5])(NC[6a])	N[5](C[6a]C[6a]2)(C[5]P[5]N)(P[5]N[5])	P[5](N[5]C[6a]P[5])(C[5]N[5]N)	C[5](N[5]C[6a]P[5])(P[5]N[5])(NC[6a]){3|C<3>}	N[5](C[6a]C[6a]2)(C[5]P[5]N)(P[5]N[5]){5|C<3>}	P[5](N[5]C[6a]P[5])(C[5]N[5]N){3|C<3>}	112.2890	0.000	1	112.2890	0.000	1	112.2890	0.000	1	112.2890	0.000	1	114.4300	1.065	43	114.7462	2.240	53
818	542	987	5:SP2_SP-NON_SP2	C[5]	N[5]	P[5]	3:2:3:	3:3:4:	3:3:	N[5]-3:P[5]-2:P-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:	C[5](N[5]C[5,6a]C)(P[5]C[5,6a])(PCC)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]P)(CCHH)	P[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]P)	C[5](N[5]C[5,6a]C)(P[5]C[5,6a])(PCC){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]P)(CCHH){1|H<1>,2|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]P){1|C<4>,1|H<1>,2|C<3>}	113.2070	0.000	1	113.2070	0.000	1	113.2070	0.000	1	113.2070	0.000	1	114.4300	1.065	43	114.7462	2.240	53
818	542	987	5:SP2_SP-NON_SP2	C[5]	N[5]	P[5]	3:2:4:	3:2:1:	3:3:	N[5]-3:P[5]-2:C-4:	C[5]-3:N[5]-2:H-1:	N[5]-3:C[5]-3:	C[5](N[5]N[5]H)(P[5]N[5])(CC3)	N[5](C[5]P[5]C)(N[5]N[5])(H)	P[5](N[5]C[5]N[5])(C[5]N[5]C)	C[5](N[5]N[5]H)(P[5]N[5])(CC3){1|C<4>}	N[5](C[5]P[5]C)(N[5]N[5])(H){1|C<4>}	P[5](N[5]C[5]N[5])(C[5]N[5]C){1|Fe<10>,1|H<1>,2|C<4>}	110.1490	0.000	1	110.1490	0.000	1	110.1490	0.000	1	110.1490	0.000	1	114.4300	1.065	43	114.7462	2.240	53
818	542	987	5:SP2_SP-NON_SP2	C[5]	N[5]	P[5]	3:3:2:	3:2:4:	3:3:	C[6a]-3:N[5]-3:P[5]-2:	C[5]-3:N[5]-2:C-4:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5]C)(P[5]C[5])	N[5](C[5]C[6a]P[5])(N[5]C[5])(CH3)	P[5](C[5]C[6a]N[5])2	C[5](C[6a]C[6a]2)(N[5]N[5]C)(P[5]C[5]){2|H<1>,3|C<3>}	N[5](C[5]C[6a]P[5])(N[5]C[5])(CH3){3|C<3>}	P[5](C[5]C[6a]N[5])2{1|C<4>,4|C<3>}	111.7440	0.000	1	111.7440	0.000	1	111.7440	0.000	1	111.7440	0.000	1	114.4300	1.065	43	114.7462	2.240	53
818	542	987	5:SP2_SP-NON_SP2	C[5]	N[5]	P[5]	3:3:2:	3:3:1:	3:3:	C[6a]-3:N[5]-3:P[5]-2:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[5,6a]H)(P[5]C[5,6a])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(H)	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[5,6a]H)(P[5]C[5,6a]){1|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(H){1|H<1>,4|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]){2|H<1>,4|C<3>}	113.1460	0.000	1	113.1460	0.000	1	113.7840	0.372	3	113.7840	0.372	3	114.4300	1.065	43	114.7462	2.240	53
818	542	987	5:SP2_SP-NON_SP2	C[5]	N[5]	P[5]	3:3:2:	3:3:1:	3:3:	C[6a]-3:N[5]-3:P[5]-2:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:	C[5](C[6a]C[6a]N[6a])(N[5]C[5,6a]H)(P[5]C[5,6a])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(H)	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])	C[5](C[6a]C[6a]N[6a])(N[5]C[5,6a]H)(P[5]C[5,6a]){1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(H){1|H<1>,1|N<2>,3|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]){1|N<2>,2|H<1>,3|C<3>}	114.1030	0.365	2	114.1030	0.133	2	113.7840	0.372	3	113.7840	0.372	3	114.4300	1.065	43	114.7462	2.240	53
818	542	989	0:SP2_SP2_SP2	C[5]	N[5]	Si[5]	3:3:3:	3:3:4:	6:3:3:	Si[5]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5x3,6x5,20x6]-6:C[5]-3:N[5]-3:	C[5](Si[5]C[5x3,6x5,20x6]N[5])(N[5]C[5]C)2	N[5](C[5]Si[5]N[5])(C[5]C[5]C)(CCCH)	Si[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]N[5]2)(N[5]C[5]C)	C[5](Si[5]C[5x3,6x5,20x6]N[5])(N[5]C[5]C)2{1|C<3>,1|C<6>,3|C<4>,4|B<6>}	N[5](C[5]Si[5]N[5])(C[5]C[5]C)(CCCH){1|C<6>,1|N<3>,2|C<4>}	Si[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]N[5]2)(N[5]C[5]C){1|N<2>,2|C<3>,2|C<4>,4|H<1>,5|B<6>}	126.2000	10.844	2	126.2000	117.596	2	126.2000	117.596	2	126.2000	117.596	2	126.2000	117.596	2	126.2000	117.596	2
818	542	990	0:SP2_SP2_SP2	C[5]	N[5]	As	3:3:2:	3:3:3:	3:1:	N[5]-3:N[5]-3:As-2:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:H-1:	C[5](N[5]C[6a]C[5])2(AsH)	N[5](C[6a]C[6a]2)(C[5]N[5]As)(C[5]C[5]H)	As(C[5]N[5]2)(H)	C[5](N[5]C[6a]C[5])2(AsH){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]As)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	As(C[5]N[5]2)(H)	127.6402	2.808	6	127.6402	7.886	6	127.6402	7.886	6	127.6402	7.886	6	125.4244	57.758	25	125.4244	57.758	25
818	542	990	0:SP2_SP2_SP2	C[5]	N[5]	As	3:3:2:	3:3:3:	3:2:	N[5]-3:N[5]-3:As-2:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:As-2:	C[5](N[5]C[6a]C[5])2(AsAs)	N[5](C[6a]C[6a]2)(C[5]N[5]As)(C[5]C[5]H)	As(C[5]N[5]2)(AsC[5])	C[5](N[5]C[6a]C[5])2(AsAs){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]As)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	As(C[5]N[5]2)(AsC[5])	127.1565	11.965	2	127.1565	143.160	2	127.1565	143.160	2	127.1565	143.160	2	125.4244	57.758	25	125.4244	57.758	25
818	542	990	0:SP2_SP2_SP2	C[5]	N[5]	As	3:3:2:	3:3:3:	3:4:	N[5]-3:N[5]-3:As-2:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:Si-4:	C[5](N[5]C[6a]C[5])2(AsSi)	N[5](C[6a]C[6a]2)(C[5]N[5]As)(C[5]C[5]H)	As(C[5]N[5]2)(SiC3)	C[5](N[5]C[6a]C[5])2(AsSi){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]As)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	As(C[5]N[5]2)(SiC3)	127.7581	9.400	8	127.7581	88.358	8	127.7581	88.358	8	127.7581	88.358	8	125.4244	57.758	25	125.4244	57.758	25
818	542	990	0:SP2_SP2_SP2	C[5]	N[5]	As	3:3:2:	3:3:4:	3:3:	N[5]-3:N[5]-3:As-2:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:	C[5](N[5]C[5]C)2(AsC[6a])	N[5](C[5]N[5]As)(C[5]C[5]C)(CH3)	As(C[6a]C[6a]2)(C[5]N[5]2)	C[5](N[5]C[5]C)2(AsC[6a]){2|C<4>}	N[5](C[5]N[5]As)(C[5]C[5]C)(CH3){2|C<4>}	As(C[6a]C[6a]2)(C[5]N[5]2)	127.4820	10.443	2	127.4820	109.047	2	127.3323	37.984	4	127.3323	37.984	4	125.4244	57.758	25	125.4244	57.758	25
818	542	990	0:SP2_SP2_SP2	C[5]	N[5]	As	3:3:2:	3:3:4:	3:3:	N[5]-3:N[5]-3:As-2:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:	C[5](N[5]C[5]C)2(AsC[6a])	N[5](C[5]N[5]As)(C[5]C[5]H)(CCCH)	As(C[6a]C[6a]2)(C[5]N[5]2)	C[5](N[5]C[5]C)2(AsC[6a]){2|H<1>}	N[5](C[5]N[5]As)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	As(C[6a]C[6a]2)(C[5]N[5]2)	127.1825	2.194	2	127.1825	4.814	2	127.3323	37.984	4	127.3323	37.984	4	125.4244	57.758	25	125.4244	57.758	25
818	542	990	0:SP2_SP2_SP2	C[5]	N[5]	As	3:4:2:	3:4:3:	3:3:	N[5]-3:C[5]-4:As-2:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(AsC)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]As)	As(C[5]C[5]N[5])(CC[6a]C[5])	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(AsC){2|C<3>,2|C<4>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]As){2|C<3>,2|H<1>,4|C<4>}	As(C[5]C[5]N[5])(CC[6a]C[5])	117.6573	0.746	3	117.6573	0.556	3	117.6573	0.556	3	117.6573	0.556	3	125.4244	57.758	25	125.4244	57.758	25
818	542	990	0:SP2_SP2_SP2	C[5]	N[5]	As	4:3:2:	3:3:4:	3:3:	C[5,6]-4:N[5]-3:As-2:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-3:C-3:	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(AsC)	N[5](C[5]C[5,6]As)(C[6a]C[6a]2)(C[5]C[5]CC)	As(C[5]C[5,6]N[5])(CC[6a]C[5])	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(AsC){2|C<3>,4|C<4>,6|H<1>}	N[5](C[5]C[5,6]As)(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	As(C[5]C[5,6]N[5])(CC[6a]C[5])	115.5455	0.513	2	115.5455	0.263	2	115.5455	0.263	2	115.5455	0.263	2	125.4244	57.758	25	125.4244	57.758	25
818	542	992	0:SP2_SP2_SP3	C[5]	N[5]	P	3:2:4:	3:3:4:	3:3:1:1:	N[5]-3:S[5]-2:P-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:S-1:S-1:	C[5](N[5]C[5]C)(S[5]C[5])(PC[5]SS)	N[5](C[5]C[5]C)(C[5]S[5]P)(CCHH)	P(C[5]N[5]S[5])2(S)2	C[5](N[5]C[5]C)(S[5]C[5])(PC[5]SS){2|C<4>}	N[5](C[5]C[5]C)(C[5]S[5]P)(CCHH){1|C<4>}	P(C[5]N[5]S[5])2(S)2	129.0875	2.453	2	129.0875	6.017	2	129.0875	6.017	2	129.0875	6.017	2	125.0130	8.374	57	125.0130	8.374	57
818	542	992	0:SP2_SP2_SP3	C[5]	N[5]	P	3:3:4:	3:3:1:	3:3:1:1:	N[5]-3:N[5]-3:P-4:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:O-1:O-1:	C[5](N[5]C[5]C)(N[5]C[5]H)(PC[6a]OO)	N[5](C[5]C[5]H)(C[5]N[5]P)(H)	P(C[6a]C[6a]2)(C[5]N[5]2)(O)2	C[5](N[5]C[5]C)(N[5]C[5]H)(PC[6a]OO){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]P)(H){1|C<4>,1|H<1>}	P(C[6a]C[6a]2)(C[5]N[5]2)(O)2	124.5810	0.000	1	124.5810	0.000	1	125.7690	2.736	3	125.7690	2.736	3	125.0130	8.374	57	125.0130	8.374	57
818	542	992	0:SP2_SP2_SP3	C[5]	N[5]	P	3:3:4:	3:3:1:	3:3:1:1:	N[5]-3:N[5]-3:P-4:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:O-1:O-1:	C[5](N[5]C[5]H)2(PC[6a]OO)	N[5](C[5]C[5]H)(C[5]N[5]P)(H)	P(C[6a]C[6a]2)(C[5]N[5]2)(O)2	C[5](N[5]C[5]H)2(PC[6a]OO){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]P)(H){2|H<1>}	P(C[6a]C[6a]2)(C[5]N[5]2)(O)2	126.3630	1.831	2	126.3630	3.354	2	125.7690	2.736	3	125.7690	2.736	3	125.0130	8.374	57	125.0130	8.374	57
818	542	992	0:SP2_SP2_SP3	C[5]	N[5]	P	3:3:4:	3:3:3:	3:3:1:1:	N[5]-3:N[5]-3:P-4:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:S-1:S-1:	C[5](N[5]C[6a]C[5])2(PC[6a]SS)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P)	P(C[6a]C[6a]2)(C[5]N[5]2)(S)2	C[5](N[5]C[6a]C[5])2(PC[6a]SS){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P){1|H<1>,2|C<4>,3|C<3>}	P(C[6a]C[6a]2)(C[5]N[5]2)(S)2	127.3410	2.882	2	127.3410	8.307	2	127.3410	8.307	2	127.3410	8.307	2	125.0130	8.374	57	125.0130	8.374	57
818	542	992	0:SP2_SP2_SP3	C[5]	N[5]	P	3:3:4:	3:3:3:	3:3:3:1:	N[5]-3:C[5]-3:P-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:F-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]Cl)(PC[6a]2F)	N[5](C[6a]C[6a]2)(C[5]N[5]Cl)(C[5]C[5]P)	P(C[5]C[5]N[5])(C[6a]C[6a]2)2(F)	C[5](N[5]C[6a]C[5])(C[5]N[5]Cl)(PC[6a]2F){1|Cl<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Cl)(C[5]C[5]P){1|Cl<1>,2|C<4>,3|C<3>}	P(C[5]C[5]N[5])(C[6a]C[6a]2)2(F)	122.5090	0.000	1	122.5090	0.000	1	122.5090	0.000	1	122.5503	7.443	6	125.0130	8.374	57	125.0130	8.374	57
818	542	992	0:SP2_SP2_SP3	C[5]	N[5]	P	3:3:4:	3:3:3:	3:3:3:1:	N[5]-3:C[5]-3:P-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:O-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(PC[6a]2O)	N[5](C[6a]C[6a]2)(C[5]C[5]P)(C[5]N[5]S)	P(C[5]C[5]N[5])(C[6a]C[6a]2)2(O)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(PC[6a]2O){1|S<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]P)(C[5]N[5]S){3|C<3>,3|H<1>}	P(C[5]C[5]N[5])(C[6a]C[6a]2)2(O)	124.9890	0.000	1	124.9890	0.000	1	121.6975	21.668	2	122.5503	7.443	6	125.0130	8.374	57	125.0130	8.374	57
818	542	992	0:SP2_SP2_SP3	C[5]	N[5]	P	3:3:4:	3:3:3:	3:3:3:1:	N[5]-3:C[5]-3:P-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:O-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]P)(PC[6a]2O)	N[5](C[6a]C[6a]2)(C[5]C[5]P)(C[5]N[5]S)	P(C[5]C[5]N[5])(C[6a]C[6a]2)2(O)	C[5](N[5]C[6a]C[5])(C[5]N[5]P)(PC[6a]2O){1|S<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]P)(C[5]N[5]S){1|P<4>,2|H<1>,3|C<3>}	P(C[5]C[5]N[5])(C[6a]C[6a]2)2(O)	118.4060	0.000	1	118.4060	0.000	1	121.6975	21.668	2	122.5503	7.443	6	125.0130	8.374	57	125.0130	8.374	57
818	542	992	0:SP2_SP2_SP3	C[5]	N[5]	P	3:3:4:	3:3:3:	3:3:3:1:	N[5]-3:C[5]-3:P-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:S-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(PC[6a]2S)	N[5](C[6a]C[6a]2)(C[5]C[5]P)(C[5]N[5]S)	P(C[5]C[5]N[5])(C[6a]C[6a]2)2(S)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(PC[6a]2S){1|S<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]P)(C[5]N[5]S){3|C<3>,3|H<1>}	P(C[5]C[5]N[5])(C[6a]C[6a]2)2(S)	124.6055	0.243	2	124.6055	0.059	2	123.1327	6.537	3	122.5503	7.443	6	125.0130	8.374	57	125.0130	8.374	57
818	542	992	0:SP2_SP2_SP3	C[5]	N[5]	P	3:3:4:	3:3:3:	3:3:3:1:	N[5]-3:C[5]-3:P-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:S-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]P)(PC[6a]2S)	N[5](C[6a]C[6a]2)(C[5]C[5]P)(C[5]N[5]S)	P(C[5]C[5]N[5])(C[6a]C[6a]2)2(S)	C[5](N[5]C[6a]C[5])(C[5]N[5]P)(PC[6a]2S){1|S<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]P)(C[5]N[5]S){1|P<4>,2|H<1>,3|C<3>}	P(C[5]C[5]N[5])(C[6a]C[6a]2)2(S)	120.1870	0.000	1	120.1870	0.000	1	123.1327	6.537	3	122.5503	7.443	6	125.0130	8.374	57	125.0130	8.374	57
818	542	992	0:SP2_SP2_SP3	C[5]	N[5]	P	3:3:4:	3:3:3:	3:3:3:4:	N[5]-3:C[5]-3:P-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:C-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]Cl)(PC[6a]2C)	N[5](C[6a]C[6a]2)(C[5]N[5]Cl)(C[5]C[5]P)	P(C[5]C[5]N[5])(C[6a]C[6a]2)2(CH3)	C[5](N[5]C[6a]C[5])(C[5]N[5]Cl)(PC[6a]2C){1|Cl<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Cl)(C[5]C[5]P){1|Cl<1>,2|C<4>,3|C<3>}	P(C[5]C[5]N[5])(C[6a]C[6a]2)2(CH3)	128.5670	0.000	1	128.5670	0.000	1	128.3070	0.135	2	128.3070	0.135	2	125.0130	8.374	57	125.0130	8.374	57
818	542	992	0:SP2_SP2_SP3	C[5]	N[5]	P	3:3:4:	3:3:3:	3:3:3:4:	N[5]-3:C[5]-3:P-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:C-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]Cl)(PC[6a]2C)	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]P)	P(C[5]C[5]N[5])(C[6a]C[6a]2)2(CH3)	C[5](N[5]C[6a]C[5])(C[5]N[5]Cl)(PC[6a]2C){1|Rh<6>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]P){1|Cl<1>,2|C<4>,3|C<3>}	P(C[5]C[5]N[5])(C[6a]C[6a]2)2(CH3)	128.0470	0.000	1	128.0470	0.000	1	128.3070	0.135	2	128.3070	0.135	2	125.0130	8.374	57	125.0130	8.374	57
818	542	992	0:SP2_SP2_SP3	C[5]	N[5]	P	3:3:4:	3:3:3:	3:3:4:1:	N[5]-3:N[5]-3:P-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:O-1:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(PC[5]CO)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P)	P(C[5]N[5]2)2(CC3)(O)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(PC[5]CO){2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	P(C[5]N[5]2)2(CC3)(O)	127.2550	0.697	2	127.2550	0.486	2	127.2550	0.486	2	127.2550	0.486	2	125.0130	8.374	57	125.0130	8.374	57
818	542	992	0:SP2_SP2_SP3	C[5]	N[5]	P	3:3:4:	3:3:3:	3:4:1:1:	N[5]-3:N[5]-3:P-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:P-4:O-1:O-1:	C[5](N[5]C[6a]C[5])2(POOP)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P)	P(C[5]N[5]2)(PC[5]OO)(O)2	C[5](N[5]C[6a]C[5])2(POOP){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P){1|H<1>,2|C<4>,3|C<3>}	P(C[5]N[5]2)(PC[5]OO)(O)2	127.1887	2.735	4	127.1887	7.479	4	127.1887	7.479	4	127.1887	7.479	4	125.0130	8.374	57	125.0130	8.374	57
818	542	992	0:SP2_SP2_SP3	C[5]	N[5]	P	3:3:4:	3:3:3:	3:4:4:1:	N[5]-3:N[5]-3:P-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:B-4:B-4:H-1:	C[5](N[5]C[6a]C[5])2(PBBH)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P)	P(C[5]N[5]2)(BH3)2(H)	C[5](N[5]C[6a]C[5])2(PBBH){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P){1|H<1>,2|C<4>,3|C<3>}	P(C[5]N[5]2)(BH3)2(H)	126.8840	1.622	2	126.8840	2.631	2	126.8840	2.631	2	126.8840	2.631	2	125.0130	8.374	57	125.0130	8.374	57
818	542	992	0:SP2_SP2_SP3	C[5]	N[5]	P	3:3:4:	3:3:4:	3:2:1:1:	N[5]-3:N[5]-3:P-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:O-2:O-1:O-1:	C[5](N[5]C[5]C)2(PO3)	N[5](C[5]C[5]C)(C[5]N[5]P)(CCCH)	P(C[5]N[5]2)(OC)(O)2	C[5](N[5]C[5]C)2(PO3){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]P)(CCCH){2|C<4>}	P(C[5]N[5]2)(OC)(O)2	126.4135	3.498	2	126.4135	12.236	2	126.4135	12.236	2	126.4135	12.236	2	125.0130	8.374	57	125.0130	8.374	57
818	542	992	0:SP2_SP2_SP3	C[5]	N[5]	P	3:3:4:	3:3:4:	3:3:1:1:	N[5]-3:N[5]-3:P-4:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:S-1:S-1:	C[5](N[5]C[5,6a]C)2(PC[5]SS)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]P)(CH3)	P(C[5]N[5]2)2(S)2	C[5](N[5]C[5,6a]C)2(PC[5]SS){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]P)(CH3){1|C<4>,1|H<1>,2|C<3>}	P(C[5]N[5]2)2(S)2	125.6630	0.836	2	125.6630	0.699	2	125.6630	0.699	2	126.7584	3.168	5	125.0130	8.374	57	125.0130	8.374	57
818	542	992	0:SP2_SP2_SP3	C[5]	N[5]	P	3:3:4:	3:3:4:	3:3:1:1:	N[5]-3:N[5]-3:P-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:S-1:S-1:	C[5](N[5]C[5]C)2(PC[5]SS)	N[5](C[5]C[5]C)(C[5]N[5]P)(CH3)	P(C[5]N[5]2)2(S)2	C[5](N[5]C[5]C)2(PC[5]SS){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]P)(CH3){2|C<4>}	P(C[5]N[5]2)2(S)2	126.7475	2.163	2	126.7475	4.679	2	126.7475	4.679	2	126.7584	3.168	5	125.0130	8.374	57	125.0130	8.374	57
818	542	992	0:SP2_SP2_SP3	C[5]	N[5]	P	3:3:4:	3:3:4:	3:3:1:1:	N[5]-3:N[5]-3:P-4:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:O-1:O-1:	C[5](N[5]C[5]C)(N[5]C[5]H)(PC[6a]OO)	N[5](C[5]C[5]H)(C[5]N[5]P)(CH3)	P(C[6a]C[6a]2)(C[5]N[5]2)(O)2	C[5](N[5]C[5]C)(N[5]C[5]H)(PC[6a]OO){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]P)(CH3){2|H<1>}	P(C[6a]C[6a]2)(C[5]N[5]2)(O)2	128.9710	0.000	1	128.9710	0.000	1	128.9710	0.000	1	126.7584	3.168	5	125.0130	8.374	57	125.0130	8.374	57
818	542	992	0:SP2_SP2_SP3	C[5]	N[5]	P	3:3:4:	3:3:4:	3:3:3:1:	C[5]-3:N[5]-3:P-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:C[6a]-3:O-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(PC[6a]2O)	N[5](C[5]C[5]P)(C[5]N[5]H)(CH3)	P(C[5]C[5]N[5])(C[6a]C[6a]2)2(O)	C[5](C[5]N[5]H)(N[5]C[5]C)(PC[6a]2O){1|C<4>,1|H<1>}	N[5](C[5]C[5]P)(C[5]N[5]H)(CH3){1|C<4>,1|H<1>}	P(C[5]C[5]N[5])(C[6a]C[6a]2)2(O)	120.3570	0.000	1	120.3570	0.000	1	123.6698	10.907	10	123.2243	11.999	11	125.0130	8.374	57	125.0130	8.374	57
818	542	992	0:SP2_SP2_SP3	C[5]	N[5]	P	3:3:4:	3:3:4:	3:3:3:1:	C[5]-3:N[5]-3:P-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:C[6a]-3:O-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(PC[6a]2O)	N[5](C[5]C[5]P)(C[5]N[5]S)(CH3)	P(C[5]C[5]N[5])(C[6a]C[6a]2)2(O)	C[5](C[5]N[5]H)(N[5]C[5]C)(PC[6a]2O){1|C<4>,1|S<1>}	N[5](C[5]C[5]P)(C[5]N[5]S)(CH3){1|C<4>,1|H<1>}	P(C[5]C[5]N[5])(C[6a]C[6a]2)2(O)	126.4800	0.000	1	126.4800	0.000	1	123.6698	10.907	10	123.2243	11.999	11	125.0130	8.374	57	125.0130	8.374	57
818	542	992	0:SP2_SP2_SP3	C[5]	N[5]	P	3:3:4:	3:3:4:	3:3:3:1:	C[5]-3:N[5]-3:P-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:C[6a]-3:O-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(PC[6a]2O)	N[5](C[5]N[5]Mo)(C[5]C[5]P)(CH3)	P(C[5]C[5]N[5])(C[6a]C[6a]2)2(O)	C[5](C[5]N[5]H)(N[5]C[5]C)(PC[6a]2O){1|Mo<6>,1|C<4>}	N[5](C[5]N[5]Mo)(C[5]C[5]P)(CH3){1|C<4>,1|H<1>}	P(C[5]C[5]N[5])(C[6a]C[6a]2)2(O)	127.4790	0.000	1	127.4790	0.000	1	123.6698	10.907	10	123.2243	11.999	11	125.0130	8.374	57	125.0130	8.374	57
818	542	992	0:SP2_SP2_SP3	C[5]	N[5]	P	3:3:4:	3:3:4:	3:3:3:1:	C[5]-3:N[5]-3:P-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:C[6a]-3:O-1:	C[5](C[5]N[5]P)(N[5]C[5]C)(PC[6a]2O)	N[5](C[5]C[5]P)(C[5]N[5]S)(CCHH)	P(C[5]C[5]N[5])(C[6a]C[6a]2)2(O)	C[5](C[5]N[5]P)(N[5]C[5]C)(PC[6a]2O){1|C<4>,1|S<1>}	N[5](C[5]C[5]P)(C[5]N[5]S)(CCHH){1|C<4>,1|P<4>}	P(C[5]C[5]N[5])(C[6a]C[6a]2)2(O)	120.7880	0.000	1	120.7880	0.000	1	123.6698	10.907	10	123.2243	11.999	11	125.0130	8.374	57	125.0130	8.374	57
818	542	992	0:SP2_SP2_SP3	C[5]	N[5]	P	3:3:4:	3:3:4:	3:3:3:1:	C[5]-3:N[5]-3:P-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:C[6a]-3:O-1:	C[5](C[5]N[5]P)(N[5]C[5]C)(PC[6a]2O)	N[5](C[5]C[5]P)(C[5]N[5]S)(CH3)	P(C[5]C[5]N[5])(C[6a]C[6a]2)2(O)	C[5](C[5]N[5]P)(N[5]C[5]C)(PC[6a]2O){1|C<4>,1|S<1>}	N[5](C[5]C[5]P)(C[5]N[5]S)(CH3){1|C<4>,1|P<3>}	P(C[5]C[5]N[5])(C[6a]C[6a]2)2(O)	124.4500	0.000	1	124.8890	0.385	2	123.6698	10.907	10	123.2243	11.999	11	125.0130	8.374	57	125.0130	8.374	57
818	542	992	0:SP2_SP2_SP3	C[5]	N[5]	P	3:3:4:	3:3:4:	3:3:3:1:	C[5]-3:N[5]-3:P-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:C[6a]-3:O-1:	C[5](C[5]N[5]P)(N[5]C[5]C)(PC[6a]2O)	N[5](C[5]C[5]P)(C[5]N[5]S)(CH3)	P(C[5]C[5]N[5])(C[6a]C[6a]2)2(O)	C[5](C[5]N[5]P)(N[5]C[5]C)(PC[6a]2O){1|C<4>,1|S<1>}	N[5](C[5]C[5]P)(C[5]N[5]S)(CH3){1|C<4>,1|P<4>}	P(C[5]C[5]N[5])(C[6a]C[6a]2)2(O)	125.3280	0.000	1	124.8890	0.385	2	123.6698	10.907	10	123.2243	11.999	11	125.0130	8.374	57	125.0130	8.374	57
818	542	992	0:SP2_SP2_SP3	C[5]	N[5]	P	3:3:4:	3:3:4:	3:3:3:1:	C[5]-3:N[5]-3:P-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:C[6a]-3:O-1:	C[5](C[5]N[5]P)(N[5]C[5]C)(PC[6a]2O)	N[5](C[5]C[5]P)(C[5]N[5]W)(CH3)	P(C[5]C[5]N[5])(C[6a]C[6a]2)2(O)	C[5](C[5]N[5]P)(N[5]C[5]C)(PC[6a]2O){1|C<4>,1|W<6>}	N[5](C[5]C[5]P)(C[5]N[5]W)(CH3){1|C<4>,1|P<4>}	P(C[5]C[5]N[5])(C[6a]C[6a]2)2(O)	122.9540	4.126	4	122.9540	17.022	4	123.6698	10.907	10	123.2243	11.999	11	125.0130	8.374	57	125.0130	8.374	57
818	542	992	0:SP2_SP2_SP3	C[5]	N[5]	P	3:3:4:	3:3:4:	3:3:3:1:	C[5]-3:N[5]-3:P-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:C[6a]-3:S-1:	C[5](C[5]N[5]P)(N[5]C[5]C)(PC[6a]2S)	N[5](C[5]C[5]P)(C[5]N[5]S)(CH3)	P(C[5]C[5]N[5])(C[6a]C[6a]2)2(S)	C[5](C[5]N[5]P)(N[5]C[5]C)(PC[6a]2S){1|C<4>,1|S<1>}	N[5](C[5]C[5]P)(C[5]N[5]S)(CH3){1|C<4>,1|P<4>}	P(C[5]C[5]N[5])(C[6a]C[6a]2)2(S)	118.7690	0.000	1	118.7690	0.000	1	118.7690	0.000	1	123.2243	11.999	11	125.0130	8.374	57	125.0130	8.374	57
818	542	992	0:SP2_SP2_SP3	C[5]	N[5]	P	3:3:4:	3:3:4:	3:3:4:1:	N[5]-3:N[5]-3:P-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:O-1:	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(PC[5]CO)	N[5](C[5]C[5]H)(C[5]N[5]P)(CH3)	P(C[5]N[5]2)2(CC3)(O)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(PC[5]CO){2|C<3>,2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]P)(CH3){1|C<3>,1|H<1>}	P(C[5]N[5]2)2(CC3)(O)	124.7510	0.372	2	124.7510	0.138	2	124.7510	0.138	2	124.7510	0.138	2	125.0130	8.374	57	125.0130	8.374	57
818	542	992	0:SP2_SP2_SP3	C[5]	N[5]	P	3:3:4:	3:3:4:	4:3:4:3:	C[5]-3:N[5]-3:P-4:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:B-4:N-3:	C[5](C[5]N[5]H)(N[5]C[5]C)(PC[5]BN)	N[5](C[5]C[5]P)(C[5]N[5]S)(CCCH)	P(C[5]C[5,6a]2H)(C[5]C[5]N[5])(BH3)(NCC)	C[5](C[5]N[5]H)(N[5]C[5]C)(PC[5]BN){1|C<4>,1|S<1>}	N[5](C[5]C[5]P)(C[5]N[5]S)(CCCH){1|C<4>,1|H<1>}	P(C[5]C[5,6a]2H)(C[5]C[5]N[5])(BH3)(NCC)	122.8320	0.000	1	122.8320	0.000	1	122.8320	0.000	1	122.8320	0.000	1	125.0130	8.374	57	125.0130	8.374	57
818	542	992	0:SP2_SP2_SP3	C[5]	N[5]	P	3:3:4:	3:4:3:	3:3:1:1:	N[5]-3:N[5]-3:P-4:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[5]-3:S-1:S-1:	C[5](N[5]C[6a]C[5])2(PC[6a]SS)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]P)	P(C[6a]C[6a]2)(C[5]N[5]2)(S)2	C[5](N[5]C[6a]C[5])2(PC[6a]SS){4|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]P){2|C<4>,2|H<1>,3|C<3>}	P(C[6a]C[6a]2)(C[5]N[5]2)(S)2	124.0215	2.659	2	124.0215	7.073	2	124.0215	7.073	2	124.0215	7.073	2	125.0130	8.374	57	125.0130	8.374	57
818	542	992	0:SP2_SP2_SP3	C[5]	N[5]	P	3:4:4:	3:4:3:	3:2:1:1:	N[5]-3:C[5]-4:P-4:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:O-2:O-1:O-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(PO3)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]P)	P(C[5]C[5]N[5])(OC)(O)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(PO3){2|C<3>,2|C<4>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]P){2|C<3>,2|H<1>,4|C<4>}	P(C[5]C[5]N[5])(OC)(O)2	125.1810	1.151	2	125.1810	1.325	2	125.1810	1.325	2	125.1810	1.325	2	125.0130	8.374	57	125.0130	8.374	57
818	542	992	0:SP2_SP2_SP3	C[5]	N[5]	P	3:4:4:	3:4:3:	3:2:2:1:	N[5]-3:C[5]-4:P-4:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:O-2:O-2:O-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(PO3)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]P)	P(C[5]C[5]N[5])(OC)2(O)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(PO3){2|C<3>,2|C<4>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]P){2|C<3>,2|H<1>,4|C<4>}	P(C[5]C[5]N[5])(OC)2(O)	124.4880	0.000	1	124.4880	0.000	1	124.4880	0.000	1	124.4880	0.000	1	125.0130	8.374	57	125.0130	8.374	57
818	542	992	0:SP2_SP2_SP3	C[5]	N[5]	P	3:4:4:	3:4:3:	3:3:3:1:	N[5]-3:C[5]-4:P-4:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:O-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(PC[6a]2O)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]P)	P(C[5]C[5]N[5])(C[6a]C[6a]2)2(O)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(PC[6a]2O){2|C<3>,2|C<4>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]P){2|C<3>,2|H<1>,4|C<4>}	P(C[5]C[5]N[5])(C[6a]C[6a]2)2(O)	121.3520	0.092	2	121.3520	0.008	2	121.3520	0.008	2	121.3520	0.008	2	125.0130	8.374	57	125.0130	8.374	57
818	542	992	0:SP2_SP2_SP3	C[5]	N[5]	P	4:3:3:	3:3:4:	3:3:3:1:	P-4:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C[6a]-3:O-1:	C[5](PC[6a]C[5]O)(C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]C[5]P)(C[5]N[5]S)(CH3)	P(C[5]C[5]N[5])2(C[6a]C[6a]2)(O)	C[5](PC[6a]C[5]O)(C[5]N[5]H)(N[5]C[5]C){1|C<4>,1|S<1>}	N[5](C[5]C[5]P)(C[5]N[5]S)(CH3){1|C<4>,1|H<1>}	P(C[5]C[5]N[5])2(C[6a]C[6a]2)(O)	124.8590	0.304	2	124.8590	0.092	2	124.8590	0.092	2	124.4352	0.520	6	125.0130	8.374	57	125.0130	8.374	57
818	542	992	0:SP2_SP2_SP3	C[5]	N[5]	P	4:3:3:	3:3:4:	3:3:3:1:	P-4:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:C[6a]-3:Se-1:	C[5](PC[6a]2Se)(C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]C[5]P)(C[5]N[5]S)(CH3)	P(C[5]C[5]N[5])(C[6a]C[6a]2)2(Se)	C[5](PC[6a]2Se)(C[5]N[5]H)(N[5]C[5]C){1|C<4>,1|S<1>}	N[5](C[5]C[5]P)(C[5]N[5]S)(CH3){1|C<4>,1|H<1>}	P(C[5]C[5]N[5])(C[6a]C[6a]2)2(Se)	124.2232	0.811	4	124.2232	0.657	4	124.2232	0.657	4	124.4352	0.520	6	125.0130	8.374	57	125.0130	8.374	57
818	542	992	0:SP2_SP3_SP3	C[5]	N[5]	P	3:4:4:	3:4:3:	3:3:3:1:	N[5]-3:C[5]-4:P-4:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:O-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(PC[6a]2O)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]P)	P(C[5]C[5]N[5])(C[6a]C[6a]2)2(O)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(PC[6a]2O){2|C<3>,2|C<4>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]P){2|C<3>,2|H<1>,4|C<4>}	P(C[5]C[5]N[5])(C[6a]C[6a]2)2(O)	114.8320	0.000	1	114.8320	0.000	1	114.8320	0.000	1	114.8320	0.000	1	114.8320	0.000	1	114.8320	0.000	1
818	542	997	0:SP2_SP2_SP3	C[5,5]	N[5]	Se[5]	3:2:3:	3:3:4:	3:3:	C[5,5]-3:Se[5]-2:N[5]-3:	C[5,5]-3:C[5]-3:C-4:	C[5,5]-3:C[5,5]-3:	C[5,5](C[5,5]C[5,5]S[5])(Se[5]C[5,5])(N[5]C[5]C)	N[5](C[5,5]C[5,5]Se[5])(C[5]S[5]S)(CCHH)	Se[5](C[5,5]C[5,5]N[5])2	C[5,5](C[5,5]C[5,5]S[5])(Se[5]C[5,5])(N[5]C[5]C){1|N<3>,1|S<1>,1|S<2>}	N[5](C[5,5]C[5,5]Se[5])(C[5]S[5]S)(CCHH){2|C<3>}	Se[5](C[5,5]C[5,5]N[5])2{2|C<3>,2|C<4>,2|S<2>}	129.4680	0.516	2	129.4680	0.266	2	129.4680	0.266	2	129.4680	0.266	2	129.4680	0.266	2	129.4680	0.266	2
818	542	997	5:SP2_SP2_SP3	C[5,5]	N[5,5]	Se[5]	3:2:2:	3:3:3:	3:3:	N[5,5]-3:S[5]-2:Se[5]-2:	C[5,6a]-3:C[5,5]-3:C[5]-3:	C[5,5]-3:C[5]-3:	C[5,5](N[5,5]C[5,6a]C[5])(S[5]C[5,6a])(Se[5]C[5])	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]Se[5]S[5])(C[5]C[6a]C[5])	Se[5](C[5,5]N[5,5]S[5])(C[5]C[5]H)	C[5,5](N[5,5]C[5,6a]C[5])(S[5]C[5,6a])(Se[5]C[5]){1|H<1>,3|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]Se[5]S[5])(C[5]C[6a]C[5]){2|H<1>,4|C<3>}	Se[5](C[5,5]N[5,5]S[5])(C[5]C[5]H){3|C<3>}	113.5260	0.000	1	113.5260	0.000	1	113.5260	0.000	1	113.5260	0.000	1	113.5260	0.000	1	110.6824	4.313	28
818	542	997	5:SP2_SP2_SP3	C[5,6]	N[5,6]	Se[5]	3:2:3:	4:3:3:	4:3:	N[5,6]-3:Se[5]-2:C[6]-3:	C[5,5]-4:C[5,6]-3:C[6]-3:	C[5,5]-4:C[5,6]-3:	C[5,6](N[5,6]C[5,5]C[6])(Se[5]C[5,5])(C[6]C[6]H)	N[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]Se[5]C[6])(C[6]C[6]H)	Se[5](C[5,5]C[5,5]C[5]H)(C[5,6]N[5,6]C[6])	C[5,6](N[5,6]C[5,5]C[6])(Se[5]C[5,5])(C[6]C[6]H){1|C<3>,2|C<4>,4|H<1>}	N[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]Se[5]C[6])(C[6]C[6]H){1|C<3>,2|C<4>,5|H<1>}	Se[5](C[5,5]C[5,5]C[5]H)(C[5,6]N[5,6]C[6]){2|C<3>,2|C<4>,4|H<1>}	114.1440	0.000	1	114.1440	0.000	1	114.1440	0.000	1	114.1440	0.000	1	114.1440	0.000	1	110.6824	4.313	28
818	542	997	5:SP2_SP2_SP3	C[5]	N[5,5]	Se[5]	3:2:2:	3:3:3:	3:2:	N[5,5]-3:Se[5]-2:N-2:	C[5,6a]-3:C[5,5]-3:C[5]-3:	C[5]-3:N[5]-2:	C[5](N[5,5]C[5,6a]C[5,5])(Se[5]N[5])(NC[6])	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2)(C[5]Se[5]N)	Se[5](C[5]N[5,5]N)(N[5]C[5,5])	C[5](N[5,5]C[5,6a]C[5,5])(Se[5]N[5])(NC[6]){1|N<3>,2|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2)(C[5]Se[5]N){1|C<4>,1|H<1>,2|C<3>}	Se[5](C[5]N[5,5]N)(N[5]C[5,5]){1|C<3>,1|N<3>}	102.9620	0.000	1	102.9620	0.000	1	102.9620	0.000	1	102.9620	0.000	1	102.9620	0.000	1	110.6824	4.313	28
818	542	997	5:SP2_SP2_SP3	C[5]	N[5]	Se[5]	3:2:1:	3:3:2:	3:3:	N[5]-3:Se[5]-2:S-1:	C[5,6a]-3:C[5]-3:C-2:	C[5,6a]-3:C[5]-3:	C[5](N[5]C[5,6a]C)(Se[5]C[5,6a])(S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]S)(CC)	Se[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)	C[5](N[5]C[5,6a]C)(Se[5]C[5,6a])(S){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]S)(CC){1|H<1>,2|C<3>}	Se[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S){1|C<2>,1|H<1>,2|C<3>}	110.5970	0.000	1	110.5970	0.000	1	110.5970	0.000	1	110.5970	0.000	1	110.7390	1.529	25	110.6824	4.313	28
818	542	997	5:SP2_SP2_SP3	C[5]	N[5]	Se[5]	3:2:1:	3:3:3:	3:3:	N[5]-3:Se[5]-2:S-1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5]-3:	C[5](N[5]C[5,6a]C)(Se[5]C[5,6a])(S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]S)(CCH)	Se[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)	C[5](N[5]C[5,6a]C)(Se[5]C[5,6a])(S){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]S)(CCH){1|H<1>,2|C<3>}	Se[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S){1|H<1>,3|C<3>}	110.2570	0.000	1	110.2570	0.000	1	110.2570	0.000	1	110.2570	0.000	1	110.7390	1.529	25	110.6824	4.313	28
818	542	997	5:SP2_SP2_SP3	C[5]	N[5]	Se[5]	3:2:2:	3:3:3:	3:3:	N[5]-3:Se[5]-2:N-2:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(Se[5]C[5])(NC)	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]Se[5]N)	Se[5](C[5]C[5]H)(C[5]N[5]N)	C[5](N[5]C[6a]C[5])(Se[5]C[5])(NC){1|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]Se[5]N){3|H<1>,4|C<3>}	Se[5](C[5]C[5]H)(C[5]N[5]N){2|C<3>}	110.2097	0.471	6	110.2097	0.222	6	110.2097	0.222	6	110.2097	0.222	6	110.7390	1.529	25	110.6824	4.313	28
818	542	997	5:SP2_SP2_SP3	C[5]	N[5]	Se[5]	3:2:2:	3:3:4:	3:3:	N[5]-3:Se[5]-2:N-2:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:	C[5](N[5]C[5]C)(Se[5]C[5])(NC[6a])	N[5](C[5]C[6a]C[5])(C[5]Se[5]N)(CCCH)	Se[5](C[5]C[5]C)(C[5]N[5]N)	C[5](N[5]C[5]C)(Se[5]C[5])(NC[6a]){1|C<3>,1|C<4>}	N[5](C[5]C[6a]C[5])(C[5]Se[5]N)(CCCH){1|C<4>,2|C<3>}	Se[5](C[5]C[5]C)(C[5]N[5]N){1|C<3>,1|C<4>}	108.4840	0.000	1	108.4840	0.000	1	108.7143	0.077	3	108.7143	0.077	3	110.7390	1.529	25	110.6824	4.313	28
818	542	997	5:SP2_SP2_SP3	C[5]	N[5]	Se[5]	3:2:2:	3:3:4:	3:3:	N[5]-3:Se[5]-2:N-2:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:	C[5](N[5]C[5]C)(Se[5]C[5])(NC[6a])	N[5](C[5]C[6a]C[5])(C[5]Se[5]N)(CCCH)	Se[5](C[5]C[5]H)(C[5]N[5]N)	C[5](N[5]C[5]C)(Se[5]C[5])(NC[6a]){1|C<3>,1|H<1>}	N[5](C[5]C[6a]C[5])(C[5]Se[5]N)(CCCH){1|H<1>,2|C<3>}	Se[5](C[5]C[5]H)(C[5]N[5]N){1|C<3>,1|C<4>}	108.8295	0.272	2	108.8295	0.074	2	108.7143	0.077	3	108.7143	0.077	3	110.7390	1.529	25	110.6824	4.313	28
818	542	997	5:SP2_SP2_SP3	C[5]	N[5]	Se[5]	3:2:3:	3:3:1:	3:3:	N[5]-3:Se[5]-2:N-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:	C[5](N[5]C[5]H)(Se[5]C[5])(NHH)	N[5](C[5]C[6a]C[5])(C[5]Se[5]N)(H)	Se[5](C[5]C[5]H)(C[5]N[5]N)	C[5](N[5]C[5]H)(Se[5]C[5])(NHH){1|C<3>,1|H<1>}	N[5](C[5]C[6a]C[5])(C[5]Se[5]N)(H){1|H<1>,2|C<3>}	Se[5](C[5]C[5]H)(C[5]N[5]N){1|C<3>,1|H<1>}	111.1520	0.000	1	111.1520	0.000	1	111.1520	0.000	1	111.1520	0.000	1	110.7390	1.529	25	110.6824	4.313	28
818	542	997	5:SP2_SP2_SP3	C[5]	N[5]	Se[5]	3:2:3:	3:3:4:	3:3:	N[5]-3:Se[5]-2:C-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:	C[5](N[5]C[5,6a]C)(Se[5]C[5,6a])(CCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]C)(CCHH)	Se[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)	C[5](N[5]C[5,6a]C)(Se[5]C[5,6a])(CCH){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]C)(CCHH){1|H<1>,2|C<3>}	Se[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C){1|C<4>,1|H<1>,2|C<3>}	112.1167	0.902	7	112.1167	0.814	7	111.4668	1.178	13	111.4668	1.178	13	110.7390	1.529	25	110.6824	4.313	28
818	542	997	5:SP2_SP2_SP3	C[5]	N[5]	Se[5]	3:2:3:	3:3:4:	3:3:	N[5]-3:Se[5]-2:C-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:	C[5](N[5]C[5,6a]C)(Se[5]C[5,6a])(CC[4]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]C)(CCHH)	Se[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)	C[5](N[5]C[5,6a]C)(Se[5]C[5,6a])(CC[4]H){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]C)(CCHH){1|H<1>,2|C<3>}	Se[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C){1|C<4>,1|H<1>,2|C<3>}	111.0602	0.407	4	111.0602	0.166	4	111.4668	1.178	13	111.4668	1.178	13	110.7390	1.529	25	110.6824	4.313	28
818	542	997	5:SP2_SP2_SP3	C[5]	N[5]	Se[5]	3:2:3:	3:3:4:	3:3:	N[5]-3:Se[5]-2:C-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:	C[5](N[5]C[5,6a]C)(Se[5]C[5,6a])(CC[4a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]C)(CCHH)	Se[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)	C[5](N[5]C[5,6a]C)(Se[5]C[5,6a])(CC[4a]H){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]C)(CCHH){1|H<1>,2|C<3>}	Se[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C){1|C<4>,1|H<1>,2|C<3>}	110.6600	0.000	1	110.6600	0.000	1	111.4668	1.178	13	111.4668	1.178	13	110.7390	1.529	25	110.6824	4.313	28
818	542	997	5:SP2_SP2_SP3	C[5]	N[5]	Se[5]	3:2:3:	3:3:4:	3:3:	N[5]-3:Se[5]-2:C-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:	C[5](N[5]C[5,6a]C)(Se[5]C[5,6a])(CC[6]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]C)(CCHH)	Se[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)	C[5](N[5]C[5,6a]C)(Se[5]C[5,6a])(CC[6]H){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]C)(CCHH){1|H<1>,2|C<3>}	Se[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C){1|C<4>,1|H<1>,2|C<3>}	109.3500	0.000	1	109.3500	0.000	1	111.4668	1.178	13	111.4668	1.178	13	110.7390	1.529	25	110.6824	4.313	28
818	542	999	5:SP2_SP2_SP3	C[5]	N[5]	N[5]	4:3:4:	4:3:4:	4:3:1:1:	N[5]-4:N[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5](N[5]C[5]HH)(N[5]C[5]C)(CCCS)	N[5](C[5]C[5]HH)(C[5]N[5]C)(CCHH)	N[5](C[5]C[5]HH)(C[5]N[5]C)(H)2	C[5](N[5]C[5]HH)(N[5]C[5]C)(CCCS){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]C)(CCHH){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]C)(H)2{1|C<4>,2|H<1>}	109.4210	0.000	1	109.4210	0.000	1	109.4210	0.000	1	109.4210	0.000	1	109.4210	0.000	1	109.4210	0.000	1
818	562	562	5:SP2_SP3_SP3	C[5]	Si[5]	Si[5]	4:4:3:	3:3:4:4:	3:3:4:4:	Si[5]-4:Si[5]-4:C-3:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5](Si[5]C[5,6a]CC)2(CHH)	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]Si[5]C)(CH3)2	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]Si[5]C)(CH3)2	C[5](Si[5]C[5,6a]CC)2(CHH){2|C<3>}	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]Si[5]C)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]Si[5]C)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	110.0140	0.122	2	110.0140	0.015	2	110.0140	0.015	2	110.0140	0.015	2	110.0140	0.015	2	110.0140	0.015	2
818	562	643	0:SP2_SP2_SP3	C[5]	Si[5,5]	C[6a]	3:3:4:	3:3:4:4:	3:3:2:	C[6a]-3:C[5]-3:Si[5,5]-4:	C[5]-3:C[5]-3:C[5]-4:C[5]-4:	C[5]-3:C[6a]-3:N[6a]-2:	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]C[5])(Si[5,5]C[5]3)	Si[5,5](C[5]C[6a]C[5])2(C[5]C[5]HH)2	C[6a](C[5]Si[5,5]C[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]C[5])(Si[5,5]C[5]3){2|C<4>,5|H<1>,6|C<3>}	Si[5,5](C[5]C[6a]C[5])2(C[5]C[5]HH)2{2|N<2>,4|C<3>,4|H<1>}	C[6a](C[5]Si[5,5]C[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,2|C<4>,5|C<3>}	123.2780	0.000	1	123.2780	0.000	1	123.2780	0.000	1	123.2780	0.000	1	128.5005	54.549	2	125.1609	5.726	82
818	562	643	0:SP2_SP2_SP3	C[5]	Si[5,5]	C[6a]	4:3:2:	3:4:4:2:	3:3:3:	Si[5,5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[5]-4:C[5]-4:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](Si[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]C[5])	Si[5,5](C[5]C[6a]N[5])(C[5]C[5]Si2)2(N[5]C[5])	C[6a](C[5]Si[5,5]N[5])(C[6a]C[6a]H)2	C[5](Si[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]C[5]){4|Si<4>,2|C<4>,2|H<1>,3|C<3>}	Si[5,5](C[5]C[6a]N[5])(C[5]C[5]Si2)2(N[5]C[5]){3|C<3>,4|H<1>}	C[6a](C[5]Si[5,5]N[5])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|C<4>,2|H<1>}	133.7230	0.000	1	133.7230	0.000	1	133.7230	0.000	1	133.7230	0.000	1	128.5005	54.549	2	125.1609	5.726	82
818	562	643	0:SP2_SP2_SP3	C[5]	Si[5,6]	C[6a]	4:3:3:	3:3:2:2:	3:3:3:	Si[5,6]-4:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:O[6]-2:O[6]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](Si[5,6]C[5]O[6]2)(C[5]C[6a]C[5])(C[6a]C[6a]2)	Si[5,6](C[5]C[6a]C[5])2(O[6]Si[6])2	C[6a](C[5]Si[5,6]C[5])(C[6a]C[6a]H)2	C[5](Si[5,6]C[5]O[6]2)(C[5]C[6a]C[5])(C[6a]C[6a]2){2|Si<4>,2|H<1>,6|C<3>}	Si[5,6](C[5]C[6a]C[5])2(O[6]Si[6])2{1|O<2>,4|C<4>,6|C<3>}	C[6a](C[5]Si[5,6]C[5])(C[6a]C[6a]H)2{2|H<1>,2|O<2>,4|C<3>}	123.7500	0.575	4	123.7500	0.331	4	123.7500	0.331	4	123.7500	0.331	4	123.7500	0.331	4	125.1609	5.726	82
818	562	643	0:SP2_SP2_SP3	C[5]	Si[5]	C[6a]	3:4:3:	3:3:2:1:	3:3:3:	C[5]-3:Si[5]-4:C[6a]-3:	C[5]-3:C[5]-3:C-2:Cl-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]C[5])(Si[5]C[5]ClC)(C[6a]C[6a]2)	Si[5](C[5]C[6a]C[5])2(CC)(Cl)	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5])(Si[5]C[5]ClC)(C[6a]C[6a]2){2|H<1>,6|C<3>}	Si[5](C[5]C[6a]C[5])2(CC)(Cl){6|C<3>}	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2{1|Cl<1>,1|C<2>,2|H<1>,4|C<3>}	126.4435	0.210	2	126.4435	0.044	2	126.4435	0.044	2	126.4435	0.044	2	125.1473	5.039	76	125.1609	5.726	82
818	562	643	0:SP2_SP2_SP3	C[5]	Si[5]	C[6a]	3:4:3:	3:3:2:2:	3:3:3:	C[5]-3:Si[5]-4:C[6a]-3:	C[5]-3:C[5]-3:C-2:C-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]C[5])(Si[5]C[5]CC)(C[6a]C[6a]2)	Si[5](C[5]C[6a]C[5])2(CC)2	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5])(Si[5]C[5]CC)(C[6a]C[6a]2){2|H<1>,6|C<3>}	Si[5](C[5]C[6a]C[5])2(CC)2{6|C<3>}	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2{2|C<2>,2|H<1>,4|C<3>}	125.4768	0.887	6	125.4768	0.787	6	125.4768	0.787	6	125.0055	0.918	15	125.1473	5.039	76	125.1609	5.726	82
818	562	643	0:SP2_SP2_SP3	C[5]	Si[5]	C[6a]	3:4:3:	3:3:2:2:	3:3:3:	C[5]-3:Si[5]-4:C[6a]-3:	C[5]-3:C[5]-3:O-2:O-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]C[5])(Si[5]C[5]OO)(C[6a]C[6a]2)	Si[5](C[5]C[6a]C[5])2(OC)2	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5])(Si[5]C[5]OO)(C[6a]C[6a]2){2|H<1>,6|C<3>}	Si[5](C[5]C[6a]C[5])2(OC)2{6|C<3>}	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2{2|H<1>,2|O<2>,4|C<3>}	125.3113	0.792	3	125.3113	0.627	3	124.6913	0.836	9	125.0055	0.918	15	125.1473	5.039	76	125.1609	5.726	82
818	562	643	0:SP2_SP2_SP3	C[5]	Si[5]	C[6a]	3:4:3:	3:3:2:2:	3:3:3:	C[5]-3:Si[5]-4:C[6a]-3:	C[5]-3:C[5]-3:O-2:O-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]C[5])(Si[5]C[5]OO)(C[6a]C[6a]2)	Si[5](C[5]C[6a]C[5])2(ON)2	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5])(Si[5]C[5]OO)(C[6a]C[6a]2){2|H<1>,6|C<3>}	Si[5](C[5]C[6a]C[5])2(ON)2{6|C<3>}	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2{2|H<1>,2|O<2>,4|C<3>}	124.7790	0.914	2	124.7790	0.835	2	124.6913	0.836	9	125.0055	0.918	15	125.1473	5.039	76	125.1609	5.726	82
818	562	643	0:SP2_SP2_SP3	C[5]	Si[5]	C[6a]	3:4:3:	3:3:2:2:	3:3:3:	C[5]-3:Si[5]-4:C[6a]-3:	C[5]-3:C[5]-3:O-2:O-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]C[5])(Si[5]C[5]OO)(C[6a]C[6a]2)	Si[5](C[5]C[6a]C[5])2(OSi)2	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5])(Si[5]C[5]OO)(C[6a]C[6a]2){2|H<1>,6|C<3>}	Si[5](C[5]C[6a]C[5])2(OSi)2{6|C<3>}	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2{2|H<1>,2|O<2>,4|C<3>}	124.1825	0.894	4	124.1825	0.799	4	124.6913	0.836	9	125.0055	0.918	15	125.1473	5.039	76	125.1609	5.726	82
818	562	643	0:SP2_SP2_SP3	C[5]	Si[5]	C[6a]	3:4:3:	3:3:4:3:	3:3:3:	C[5]-3:Si[5]-4:C[6a]-3:	C[5]-3:C[5]-3:C-4:C-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]C[5])(Si[5]C[5]CC)(C[6a]C[6a]2)	Si[5](C[5]C[6a]C[5])2(CH3)(CCH)	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5])(Si[5]C[5]CC)(C[6a]C[6a]2){2|H<1>,6|C<3>}	Si[5](C[5]C[6a]C[5])2(CH3)(CCH){6|C<3>}	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	124.2097	1.244	6	124.2097	1.549	6	124.2097	1.549	6	124.2097	1.549	6	125.1473	5.039	76	125.1609	5.726	82
818	562	643	0:SP2_SP2_SP3	C[5]	Si[5]	C[6a]	3:4:3:	3:3:4:4:	3:3:3:	C[5]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6a]C[6a])(Si[5]C[5,6a]CC)(C[6a]C[6a]2)	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CH3)2	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]C[6a])(Si[5]C[5,6a]CC)(C[6a]C[6a]2){2|H<1>,6|C<3>}	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CH3)2{1|H<1>,5|C<3>}	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,4|C<3>}	126.1860	0.000	1	126.1860	0.000	1	126.1860	0.000	1	125.3714	1.230	21	125.1473	5.039	76	125.1609	5.726	82
818	562	643	0:SP2_SP2_SP3	C[5]	Si[5]	C[6a]	3:4:3:	3:3:4:4:	3:3:3:	C[5]-3:Si[5]-4:C[6a]-3:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]C[5])(Si[5]C[5]CC)(C[6a]C[6a]2)	Si[5](C[5]C[6a]C[5])2(CH3)2	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5])(Si[5]C[5]CC)(C[6a]C[6a]2){2|H<1>,6|C<3>}	Si[5](C[5]C[6a]C[5])2(CH3)2{6|C<3>}	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,4|C<3>}	125.3307	1.122	20	125.3307	1.258	20	125.3307	1.258	20	125.3714	1.230	21	125.1473	5.039	76	125.1609	5.726	82
818	562	643	0:SP2_SP2_SP3	C[5]	Si[5]	C[6a]	3:4:3:	3:4:4:4:	3:3:3:	C[5,6]-3:Si[5]-4:C[6a]-3:	C[5]-3:C[5]-4:Si-4:Si-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[6,6a]C[5,6])(Si[5]C[5]Si2)(C[6a]C[6a]2)	Si[5](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(SiC3)2	C[6a](C[5]C[5,6]Si[5])(C[6a]C[6a]H)2	C[5](C[5,6]C[6,6a]C[5,6])(Si[5]C[5]Si2)(C[6a]C[6a]2){4|H<1>,6|C<3>}	Si[5](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(SiC3)2{5|C<3>}	C[6a](C[5]C[5,6]Si[5])(C[6a]C[6a]H)2{2|Si<4>,2|C<3>,2|C<4>,2|H<1>}	121.5800	0.000	1	121.5800	0.000	1	121.5800	0.000	1	119.1345	20.945	4	125.1473	5.039	76	125.1609	5.726	82
818	562	643	0:SP2_SP2_SP3	C[5]	Si[5]	C[6a]	3:4:3:	3:4:4:4:	3:3:3:	C[5]-3:Si[5]-4:C[6a]-3:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]C[5])(Si[5]C[5]CC)(C[6a]C[6a]2)	Si[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5])(Si[5]C[5]CC)(C[6a]C[6a]2){1|O<2>,4|C<3>,5|H<1>}	Si[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,4|C<4>}	124.2080	0.000	1	124.2080	0.000	1	124.2080	0.000	1	119.1345	20.945	4	125.1473	5.039	76	125.1609	5.726	82
818	562	643	0:SP2_SP2_SP3	C[5]	Si[5]	C[6a]	3:4:3:	3:4:4:4:	3:3:3:	C[5]-3:Si[5]-4:C[6a]-3:	C[5]-3:Si[5]-4:C-4:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]Si[5])(Si[5]Si[5]CC)(C[6a]C[6a]2)	Si[5](C[5]C[6a]C[5])(Si[5]Si[5]CC)(CH3)2	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]Si[5])(Si[5]Si[5]CC)(C[6a]C[6a]2){2|H<1>,4|C<3>,4|C<4>}	Si[5](C[5]C[6a]C[5])(Si[5]Si[5]CC)(CH3)2{2|C<4>,3|C<3>}	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2{2|Si<4>,2|C<3>,2|C<4>,2|H<1>}	115.3750	1.687	2	115.3750	2.846	2	115.3750	2.846	2	119.1345	20.945	4	125.1473	5.039	76	125.1609	5.726	82
818	562	643	0:SP2_SP2_SP3	C[5]	Si[5]	C[6a]	4:3:3:	3:2:4:4:	3:3:3:	Si[5]-4:C[6a]-3:C[5]-3:	C[5]-3:N[5]-2:C-4:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](Si[5]N[5]CC)(C[6a]C[6a]2)(C[5]C[5]C)	Si[5](C[5]C[6a]C[5])(N[5]C[5])(CH3)2	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2	C[5](Si[5]N[5]CC)(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	Si[5](C[5]C[6a]C[5])(N[5]C[5])(CH3)2{1|C<2>,1|C<4>,2|C<3>}	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2{1|C<2>,1|N<2>,2|C<3>,2|C<4>,2|H<1>}	128.6530	0.000	1	125.7150	6.675	3	125.7150	6.675	3	125.7150	6.675	3	125.1473	5.039	76	125.1609	5.726	82
818	562	643	0:SP2_SP2_SP3	C[5]	Si[5]	C[6a]	4:3:3:	3:2:4:4:	3:3:3:	Si[5]-4:C[6a]-3:C[5]-3:	C[5]-3:N[5]-2:C-4:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](Si[5]N[5]CC)(C[6a]C[6a]2)(C[5]C[5]C)	Si[5](C[5]C[6a]C[5])(N[5]C[5])(CH3)2	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2	C[5](Si[5]N[5]CC)(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	Si[5](C[5]C[6a]C[5])(N[5]C[5])(CH3)2{1|C<4>,3|C<3>}	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2{1|N<2>,2|C<4>,2|H<1>,3|C<3>}	124.6950	0.000	1	125.7150	6.675	3	125.7150	6.675	3	125.7150	6.675	3	125.1473	5.039	76	125.1609	5.726	82
818	562	643	0:SP2_SP2_SP3	C[5]	Si[5]	C[6a]	4:3:3:	3:2:4:4:	3:3:3:	Si[5]-4:C[6a]-3:C[5]-3:	C[5]-3:N[5]-2:C-4:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](Si[5]N[5]CC)(C[6a]C[6a]2)(C[5]C[5]C)	Si[5](C[5]C[6a]C[5])(N[5]C[5])(CH3)2	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2	C[5](Si[5]N[5]CC)(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	Si[5](C[5]C[6a]C[5])(N[5]C[5])(CH3)2{2|C<3>,2|C<4>}	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|H<1>,3|C<4>}	123.7970	0.000	1	125.7150	6.675	3	125.7150	6.675	3	125.7150	6.675	3	125.1473	5.039	76	125.1609	5.726	82
818	562	643	0:SP2_SP2_SP3	C[5]	Si[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:3:	Si[5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:C-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](Si[5]C[6a]C[5]C)(C[5]C[6a]C[5])(C[6a]C[6a]2)	Si[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)(CC)	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2	C[5](Si[5]C[6a]C[5]C)(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,8|C<3>}	Si[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)(CC){2|H<1>,8|C<3>}	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2{1|C<2>,2|H<1>,5|C<3>}	123.7795	0.425	2	123.7795	0.181	2	123.7795	0.181	2	123.7795	0.181	2	125.1473	5.039	76	125.1609	5.726	82
818	562	643	0:SP2_SP2_SP3	C[5]	Si[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:3:	Si[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](Si[5]C[5,6a]C[6a]2)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)2	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2	C[5](Si[5]C[5,6a]C[6a]2)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){10|C<3>,2|H<1>}	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)2{5|H<1>,9|C<3>}	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	125.5397	0.921	4	125.5397	0.848	4	125.5397	0.848	4	125.7167	1.327	9	125.1473	5.039	76	125.1609	5.726	82
818	562	643	0:SP2_SP2_SP3	C[5]	Si[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:3:	Si[5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](Si[5]C[6a]2C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	Si[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)2	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2	C[5](Si[5]C[6a]2C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){10|C<3>,2|H<1>}	Si[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)2{10|C<3>,4|H<1>}	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,6|C<3>}	126.5360	0.000	1	125.9042	2.602	4	125.9042	2.602	4	125.7167	1.327	9	125.1473	5.039	76	125.1609	5.726	82
818	562	643	0:SP2_SP2_SP3	C[5]	Si[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:3:	Si[5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](Si[5]C[6a]2C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	Si[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)2	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2	C[5](Si[5]C[6a]2C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){10|C<3>,2|H<1>}	Si[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)2{10|C<3>,4|H<1>}	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	125.6937	1.907	3	125.9042	2.602	4	125.9042	2.602	4	125.7167	1.327	9	125.1473	5.039	76	125.1609	5.726	82
818	562	643	0:SP2_SP2_SP3	C[5]	Si[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:3:	Si[5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](Si[5]C[6a]2C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	Si[5](C[5]C[6a]C[5])(C[6a]C[6a]2)2(C[5]C[5]H)	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2	C[5](Si[5]C[6a]2C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){3|H<1>,9|C<3>}	Si[5](C[5]C[6a]C[5])(C[6a]C[6a]2)2(C[5]C[5]H){4|H<1>,8|C<3>}	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	125.6740	0.000	1	125.6740	0.000	1	125.6740	0.000	1	125.7167	1.327	9	125.1473	5.039	76	125.1609	5.726	82
818	562	643	0:SP2_SP2_SP3	C[5]	Si[5]	C[6a]	4:3:3:	3:3:3:4:	3:3:3:	Si[5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](Si[5]C[6a]C[5]C)(C[5]C[6a]C[5])(C[6a]C[6a]2)	Si[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)(CH3)	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2	C[5](Si[5]C[6a]C[5]C)(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,8|C<3>}	Si[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)(CH3){2|H<1>,8|C<3>}	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	125.3870	0.395	2	125.3870	0.156	2	125.3870	0.156	2	125.3870	0.156	2	125.1473	5.039	76	125.1609	5.726	82
818	562	643	0:SP2_SP2_SP3	C[5]	Si[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:3:	Si[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C-4:Cl-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](Si[5]C[5,6a]ClC)(C[5]C[5,6a]C)(C[6a]C[6a]2)	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CCHH)(Cl)	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2	C[5](Si[5]C[5,6a]ClC)(C[5]C[5,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CCHH)(Cl){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2{1|Cl<1>,2|C<4>,2|H<1>,3|C<3>}	125.2880	0.000	1	125.2880	0.000	1	125.2880	0.000	1	125.2880	0.000	1	125.1473	5.039	76	125.1609	5.726	82
818	562	643	0:SP2_SP2_SP3	C[5]	Si[5]	C[6a]	4:3:3:	3:3:4:4:	3:3:3:	Si[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](Si[5]C[5,6a]CC)(C[5]C[5,6a]H)(C[6a]C[6a]2)	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CH3)2	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2	C[5](Si[5]C[5,6a]CC)(C[5]C[5,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CH3)2{2|H<1>,4|C<3>}	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	127.0180	0.267	4	127.0180	0.071	4	127.0180	0.071	4	127.0180	0.071	4	125.1473	5.039	76	125.1609	5.726	82
818	562	643	0:SP2_SP2_SP3	C[5]	Si[5]	C[6a]	4:3:3:	3:4:4:4:	3:3:3:	Si[5]-4:C[6a]-3:C[5]-3:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](Si[5]C[5]CC)(C[6a]C[6a]2)(C[5]C[5]H)	Si[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2	C[5](Si[5]C[5]CC)(C[6a]C[6a]2)(C[5]C[5]H){1|O<2>,2|C<3>,5|H<1>}	Si[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2{1|C<3>,3|H<1>,4|C<4>}	126.0450	0.000	1	126.0450	0.000	1	126.0450	0.000	1	126.0450	0.000	1	125.1473	5.039	76	125.1609	5.726	82
818	562	643	0:SP2_SP2_SP3	C[5]	Si[5]	C[6a]	4:3:3:	4:3:3:2:	3:3:3:	Si[5]-4:C[5]-3:C[6a]-3:	C[6,6]-4:C[5]-3:C[5]-3:O-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](Si[5]C[6,6]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2)	Si[5](C[6,6]C[3x6]2H)(C[5]C[6a]C[5])2(OH)	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2	C[5](Si[5]C[6,6]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2){2|C<4>,3|H<1>,6|C<3>}	Si[5](C[6,6]C[3x6]2H)(C[5]C[6a]C[5])2(OH){2|H<1>,4|C<4>,6|C<3>}	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	126.0805	0.350	2	126.0805	0.123	2	126.0805	0.123	2	126.0805	0.123	2	125.1473	5.039	76	125.1609	5.726	82
818	562	643	0:SP2_SP2_SP3	C[5]	Si[5]	C[6a]	4:3:3:	4:3:3:3:	3:3:3:	Si[5]-4:C[5]-3:C[6a]-3:	C[5]-4:C[5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](Si[5]C[6a]C[5]2)(C[5]C[6a]C[5])(C[6a]C[6a]2)	Si[5](C[5]C[5,6a]2H)(C[5]C[6a]C[5])2(C[6a]C[6a]2)	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2	C[5](Si[5]C[6a]C[5]2)(C[5]C[6a]C[5])(C[6a]C[6a]2){10|C<3>,3|H<1>}	Si[5](C[5]C[5,6a]2H)(C[5]C[6a]C[5])2(C[6a]C[6a]2){12|C<3>,2|H<1>}	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	124.3475	0.715	2	124.3475	0.511	2	124.3475	0.511	2	124.3475	0.511	2	125.1473	5.039	76	125.1609	5.726	82
818	562	643	0:SP2_SP2_SP3	C[5]	Si[5]	C[6a]	4:3:3:	4:4:3:3:	3:3:3:	Si[5]-4:C[5]-3:C[6a]-3:	C[6,6]-4:C[6,6]-4:C[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](Si[5]C[6,6]2C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	Si[5](C[6,6]C[3x6]2O)2(C[5]C[6a]C[5])2	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2	C[5](Si[5]C[6,6]2C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,2|O<2>,4|C<4>,6|C<3>}	Si[5](C[6,6]C[3x6]2O)2(C[5]C[6a]C[5])2{4|H<1>,6|C<3>,8|C<4>}	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,4|C<3>}	130.7180	1.573	2	130.7180	2.473	2	130.7180	2.473	2	130.7180	2.473	2	125.1473	5.039	76	125.1609	5.726	82
818	562	658	6:SP2_SP3_SP3	C[5,6]	Si[5,6,6]	Si[6]	4:3:4:	3:3:4:4:	3:4:4:4:	Si[5,6,6]-4:C[5]-3:Si[6]-4:	C[5,6]-3:C[5,6]-3:C[6]-4:C[6]-4:	C[5,6]-3:C[6]-4:C-4:C-4:	C[5,6](Si[5,6,6]C[5,6]C[6]2)(C[5]C[6a]C[5])(Si[6]C[6]CC)	Si[5,6,6](C[5,6]Si[6]C[5])2(C[6]C[6]HH)2	Si[6](C[5,6]Si[5,6,6]C[5])(C[6]C[6]CH)(CH3)2	C[5,6](Si[5,6,6]C[5,6]C[6]2)(C[5]C[6a]C[5])(Si[6]C[6]CC){1|Si<4>,3|C<3>,3|C<4>,5|H<1>}	Si[5,6,6](C[5,6]Si[6]C[5])2(C[6]C[6]HH)2{2|C<3>,2|H<1>,8|C<4>}	Si[6](C[5,6]Si[5,6,6]C[5])(C[6]C[6]CH)(CH3)2{1|H<1>,3|C<3>,3|C<4>}	117.6965	0.497	4	117.6965	0.247	4	117.6965	0.247	4	117.6965	0.247	4	117.6965	0.247	4	117.6965	0.247	4
818	562	727	0:SP2_SP2_SP3	C[5,5]	Si[5]	C[5,6a]	3:3:4:	3:3:4:4:	3:3:3:	C[5,6a]-3:C[5,5]-3:Si[5]-4:	C[5,5]-3:C[5,6a]-3:C-4:C-4:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]P[5])(Si[5]C[5,6a]CC)	Si[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(CH3)2	C[5,6a](C[5,5]C[5,5]Si[5])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]P[5])(Si[5]C[5,6a]CC){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	Si[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(CH3)2{1|H<1>,1|P<4>,4|C<3>}	C[5,6a](C[5,5]C[5,5]Si[5])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	136.7870	0.000	1	136.7527	0.057	3	137.4801	0.767	7	137.4801	0.767	7	137.4801	0.767	7	134.2010	43.012	9
818	562	727	0:SP2_SP2_SP3	C[5,5]	Si[5]	C[5,6a]	3:3:4:	3:3:4:4:	3:3:3:	C[5,6a]-3:C[5,5]-3:Si[5]-4:	C[5,5]-3:C[5,6a]-3:C-4:C-4:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]P[5])(Si[5]C[5,6a]CC)	Si[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(CH3)2	C[5,6a](C[5,5]C[5,5]Si[5])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]P[5])(Si[5]C[5,6a]CC){1|H<1>,1|O<1>,5|C<3>}	Si[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(CH3)2{1|H<1>,1|P<4>,4|C<3>}	C[5,6a](C[5,5]C[5,5]Si[5])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	136.7355	0.336	2	136.7527	0.057	3	137.4801	0.767	7	137.4801	0.767	7	137.4801	0.767	7	134.2010	43.012	9
818	562	727	0:SP2_SP2_SP3	C[5,5]	Si[5]	C[5,6a]	3:3:4:	3:3:4:4:	3:3:3:	C[5,6a]-3:C[5,5]-3:Si[5]-4:	C[5,5]-3:C[5,6a]-3:C-4:C-4:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]S[5])(Si[5]C[5,6a]CC)	Si[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(CH3)2	C[5,6a](C[5,5]C[5,5]Si[5])(C[5,6a]C[6a]S[5])(C[6a]C[5,6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]S[5])(Si[5]C[5,6a]CC){1|H<1>,2|O<1>,4|C<3>}	Si[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(CH3)2{1|H<1>,1|S<4>,4|C<3>}	C[5,6a](C[5,5]C[5,5]Si[5])(C[5,6a]C[6a]S[5])(C[6a]C[5,6a]H){1|H<1>,1|S<4>,2|C<4>,2|O<1>,3|C<3>}	138.5180	0.000	1	138.5180	0.000	1	137.4801	0.767	7	137.4801	0.767	7	137.4801	0.767	7	134.2010	43.012	9
818	562	727	0:SP2_SP2_SP3	C[5,5]	Si[5]	C[5,6a]	3:3:4:	3:3:4:4:	3:3:3:	C[5,6a]-3:C[5,5]-3:Si[5]-4:	C[5,5]-3:C[5,6a]-3:C-4:C-4:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]S[5])(Si[5]C[5,6a]CC)	Si[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(CH3)2	C[5,6a](C[5,5]C[5,5]Si[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]S[5])(Si[5]C[5,6a]CC){1|H<1>,2|O<1>,4|C<3>}	Si[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(CH3)2{1|H<1>,1|S<4>,4|C<3>}	C[5,6a](C[5,5]C[5,5]Si[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,2|O<1>,3|C<3>}	138.8170	0.000	1	138.8170	0.000	1	137.4801	0.767	7	137.4801	0.767	7	137.4801	0.767	7	134.2010	43.012	9
818	562	727	0:SP2_SP2_SP3	C[5,5]	Si[5]	C[5,6a]	3:3:4:	3:3:4:4:	3:3:3:	C[5,6a]-3:C[5,5]-3:Si[5]-4:	C[5,5]-3:C[5,6a]-3:C-4:C-4:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]Se[5])(Si[5]C[5,6a]CC)	Si[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(CH3)2	C[5,6a](C[5,5]C[5,5]Si[5])(C[5,6a]C[6a]Se[5])(C[6a]C[5,6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]Se[5])(Si[5]C[5,6a]CC){1|H<1>,4|C<3>}	Si[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(CH3)2{1|Se<2>,1|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]Si[5])(C[5,6a]C[6a]Se[5])(C[6a]C[5,6a]H){1|Se<2>,1|H<1>,2|C<4>,3|C<3>}	137.3840	0.126	2	137.3840	0.016	2	137.4801	0.767	7	137.4801	0.767	7	137.4801	0.767	7	134.2010	43.012	9
818	562	727	0:SP2_SP2_SP3	C[5]	Si[5]	C[5a]	3:4:3:	3:3:4:4:	3:3:3:	C[5]-3:Si[5]-4:C[5a]-3:	C[5,5a]-3:C[5]-3:C-4:C-4:	C[5]-3:C[5a]-3:C[5a]-3:	C[5](C[5]C[5,5a]C[5a])(Si[5]C[5,5a]CC)(C[5a]C[5a]2)	Si[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5a]C[5])(CH3)2	C[5a](C[5]Si[5]C[5])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5](C[5]C[5,5a]C[5a])(Si[5]C[5,5a]CC)(C[5a]C[5a]2){1|C<4>,1|H<1>,2|S<2>,4|C<3>}	Si[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5a]C[5])(CH3)2{1|S<2>,5|C<3>}	C[5a](C[5]Si[5]C[5])(C[5a]C[5a]H)(C[5a]S[5a]C){3|C<3>,3|C<4>}	122.7240	0.885	2	122.7240	0.784	2	122.7240	0.784	2	122.7240	0.784	2	122.7240	0.784	2	134.2010	43.012	9
818	562	727	5:SP2_SP2_SP3	C[5,6]	Si[5,6]	C[5,6a]	4:3:3:	3:4:3:4:	3:3:3:	Si[5,6]-4:C[5,6a]-3:C[6]-3:	C[5,6]-3:C[5]-4:C[6a]-3:C[6]-4:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6](Si[5,6]C[6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6])	Si[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6a]C[6a]2)(C[6]C[6]HH)	C[5,6a](C[5,6]Si[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](Si[5,6]C[6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]){1|C<4>,6|C<3>,7|H<1>}	Si[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,4|H<1>,5|C<3>}	C[5,6a](C[5,6]Si[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|F<1>,2|C<4>,3|C<3>,3|H<1>}	106.1380	0.000	1	106.1380	0.000	1	106.1380	0.000	1	106.1380	0.000	1	106.1380	0.000	1	107.1697	0.877	3
818	562	727	5:SP2_SP2_SP3	C[5]	Si[5]	C[5,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[5,6a]-3:Si[5]-4:C-3:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(Si[5]C[5,6a]CC)(CCC)	Si[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C)(CH3)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]Si[5]C)	C[5](C[5,6a]C[5,6a,6a]C[6a])(Si[5]C[5,6a]CC)(CCC){1|H<1>,3|C<3>}	Si[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C)(CH3)2{1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]Si[5]C){1|H<1>,2|C<4>,3|C<3>}	107.9660	0.000	1	107.9660	0.000	1	107.6855	0.157	2	107.6855	0.157	2	107.6855	0.157	2	107.1697	0.877	3
818	562	727	5:SP2_SP2_SP3	C[5]	Si[5]	C[5,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[5,6a]-3:Si[5]-4:C-3:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(Si[5]C[5,6a]CC)(CC[6a]C)	Si[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C)(CH3)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]Si[5]C)	C[5](C[5,6a]C[5,6a,6a]C[6a])(Si[5]C[5,6a]CC)(CC[6a]C){1|H<1>,3|C<3>}	Si[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C)(CH3)2{1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]Si[5]C){1|H<1>,2|C<4>,3|C<3>}	107.4050	0.000	1	107.4050	0.000	1	107.6855	0.157	2	107.6855	0.157	2	107.6855	0.157	2	107.1697	0.877	3
818	562	762	0:SP2_SP2_SP3	C[5,6,6]	Si[5]	C[6,6]	4:3:4:	3:3:4:4:	4:3:3:	C[5,3x6]-4:C[6,6]-3:Si[5]-4:	C[5,6,6]-3:C[5,6a]-3:C-4:C-4:	C[4x6]-4:C[5,6,6]-3:C[6a]-3:	C[5,6,6](C[5,3x6]C[6,6,6a]C[5,6a]C[5x6])(C[6,6]C[4x6]C[6a])(Si[5]C[5,6a]CC)	Si[5](C[5,6,6]C[5,3x6]C[6,6])(C[5,6a]C[5,6a]C[6a])(CH3)2	C[6,6](C[4x6]C[6,6,6a]C[6,6a]C[5x6])(C[5,6,6]C[5,3x6]Si[5])(C[6a]C[6a]2)	C[5,6,6](C[5,3x6]C[6,6,6a]C[5,6a]C[5x6])(C[6,6]C[4x6]C[6a])(Si[5]C[5,6a]CC){10|C<3>}	Si[5](C[5,6,6]C[5,3x6]C[6,6])(C[5,6a]C[5,6a]C[6a])(CH3)2{1|H<1>,2|C<4>,4|C<3>}	C[6,6](C[4x6]C[6,6,6a]C[6,6a]C[5x6])(C[5,6,6]C[5,3x6]Si[5])(C[6a]C[6a]2){2|H<1>,3|C<4>,9|C<3>}	130.2560	0.000	1	130.2560	0.000	1	133.8415	25.712	2	133.8415	25.712	2	133.8415	25.712	2	127.1603	18.336	9
818	562	762	0:SP2_SP2_SP3	C[5,6,6]	Si[5]	C[6,6]	4:3:4:	3:3:4:4:	4:3:3:	C[5,3x6]-4:C[6,6]-3:Si[5]-4:	C[5,6,6]-3:C[5,6a]-3:C-4:C-4:	C[4x6]-4:C[5,6,6]-3:C[6a]-3:	C[5,6,6](C[5,3x6]C[6,6,6a]C[5,6a]O[6,6])(C[6,6]C[4x6]C[6a])(Si[5]C[5,6a]CC)	Si[5](C[5,6,6]C[5,3x6]C[6,6])(C[5,6a]C[5,6a]C[6a])(CH3)2	C[6,6](C[4x6]C[3x6,6a]C[6,6a]O[6,6])(C[5,6,6]C[5,3x6]Si[5])(C[6a]C[6a]2)	C[5,6,6](C[5,3x6]C[6,6,6a]C[5,6a]O[6,6])(C[6,6]C[4x6]C[6a])(Si[5]C[5,6a]CC){1|O<2>,7|C<3>}	Si[5](C[5,6,6]C[5,3x6]C[6,6])(C[5,6a]C[5,6a]C[6a])(CH3)2{1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6,6](C[4x6]C[3x6,6a]C[6,6a]O[6,6])(C[5,6,6]C[5,3x6]Si[5])(C[6a]C[6a]2){1|O<2>,2|C<4>,2|H<1>,8|C<3>}	137.4270	0.000	1	137.4270	0.000	1	133.8415	25.712	2	133.8415	25.712	2	133.8415	25.712	2	127.1603	18.336	9
818	562	762	0:SP2_SP2_SP3	C[5,6]	Si[5]	C[6]	3:4:3:	3:4:4:4:	3:3:1:	N[5,6]-3:Si[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:C-4:C-4:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]Ga[5]C[6])(Si[5]C[5]CC)(C[6]C[6]H)	Si[5](C[5,6]N[5,6]C[6])(C[5]Ga[5]HH)(CH3)2	C[6](C[5,6]N[5,6]Si[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]Ga[5]C[6])(Si[5]C[5]CC)(C[6]C[6]H){2|Cl<1>,1|C<3>,4|H<1>}	Si[5](C[5,6]N[5,6]C[6])(C[5]Ga[5]HH)(CH3)2{2|Cl<1>,1|H<1>,2|C<3>}	C[6](C[5,6]N[5,6]Si[5])(C[6]C[6]H)(H){1|Ga<4>,1|C<3>,1|H<1>,3|C<4>}	126.3510	0.000	1	126.3510	0.000	1	125.2514	1.033	7	125.2514	1.033	7	125.2514	1.033	7	127.1603	18.336	9
818	562	762	0:SP2_SP2_SP3	C[5,6]	Si[5]	C[6]	3:4:3:	3:4:4:4:	3:3:1:	N[5,6]-3:Si[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:C-4:C-4:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]Ga[5]C[6])(Si[5]C[5]CC)(C[6]C[6]H)	Si[5](C[5,6]N[5,6]C[6])(C[5]Ga[5]Si2)(CH3)2	C[6](C[5,6]N[5,6]Si[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]Ga[5]C[6])(Si[5]C[5]CC)(C[6]C[6]H){1|Fe<11>,2|Si<4>,1|C<3>,2|C<4>,2|H<1>}	Si[5](C[5,6]N[5,6]C[6])(C[5]Ga[5]Si2)(CH3)2{1|Fe<11>,1|H<1>,2|C<3>,2|C<4>}	C[6](C[5,6]N[5,6]Si[5])(C[6]C[6]H)(H){1|Ga<5>,1|C<3>,1|H<1>,3|C<4>}	125.1085	0.190	2	125.6040	0.363	4	125.2514	1.033	7	125.2514	1.033	7	125.2514	1.033	7	127.1603	18.336	9
818	562	762	0:SP2_SP2_SP3	C[5,6]	Si[5]	C[6]	3:4:3:	3:4:4:4:	3:3:1:	N[5,6]-3:Si[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:C-4:C-4:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]Ga[5]C[6])(Si[5]C[5]CC)(C[6]C[6]H)	Si[5](C[5,6]N[5,6]C[6])(C[5]Ga[5]Si2)(CH3)2	C[6](C[5,6]N[5,6]Si[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]Ga[5]C[6])(Si[5]C[5]CC)(C[6]C[6]H){2|Cl<1>,2|Si<4>,1|C<3>,2|H<1>}	Si[5](C[5,6]N[5,6]C[6])(C[5]Ga[5]Si2)(CH3)2{2|Cl<1>,1|H<1>,2|C<3>}	C[6](C[5,6]N[5,6]Si[5])(C[6]C[6]H)(H){1|Ga<4>,1|C<3>,1|H<1>,3|C<4>}	126.2860	0.000	1	125.6040	0.363	4	125.2514	1.033	7	125.2514	1.033	7	125.2514	1.033	7	127.1603	18.336	9
818	562	762	0:SP2_SP2_SP3	C[5,6]	Si[5]	C[6]	3:4:3:	3:4:4:4:	3:3:1:	N[5,6]-3:Si[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:C-4:C-4:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]Ga[5]C[6])(Si[5]C[5]CC)(C[6]C[6]H)	Si[5](C[5,6]N[5,6]C[6])(C[5]Ga[5]Si2)(CH3)2	C[6](C[5,6]N[5,6]Si[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]Ga[5]C[6])(Si[5]C[5]CC)(C[6]C[6]H){2|Si<4>,1|C<3>,2|C<4>,2|H<1>}	Si[5](C[5,6]N[5,6]C[6])(C[5]Ga[5]Si2)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[5,6]N[5,6]Si[5])(C[6]C[6]H)(H){1|Ga<4>,1|C<3>,1|H<1>,3|C<4>}	125.9130	0.000	1	125.6040	0.363	4	125.2514	1.033	7	125.2514	1.033	7	125.2514	1.033	7	127.1603	18.336	9
818	562	762	0:SP2_SP2_SP3	C[5,6]	Si[5]	C[6]	3:4:3:	3:4:4:4:	3:3:1:	N[5,6]-3:Si[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:C-4:C-4:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]In[5]C[6])(Si[5]C[5]CC)(C[6]C[6]H)	Si[5](C[5,6]N[5,6]C[6])(C[5]In[5]Si2)(CH3)2	C[6](C[5,6]N[5,6]Si[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]In[5]C[6])(Si[5]C[5]CC)(C[6]C[6]H){2|Cl<1>,2|Si<4>,1|C<3>,2|H<1>}	Si[5](C[5,6]N[5,6]C[6])(C[5]In[5]Si2)(CH3)2{2|Cl<1>,1|H<1>,2|C<3>}	C[6](C[5,6]N[5,6]Si[5])(C[6]C[6]H)(H){1|In<4>,1|C<3>,1|H<1>,3|C<4>}	124.3520	0.000	1	123.9965	0.253	2	125.2514	1.033	7	125.2514	1.033	7	125.2514	1.033	7	127.1603	18.336	9
818	562	762	0:SP2_SP2_SP3	C[5,6]	Si[5]	C[6]	3:4:3:	3:4:4:4:	3:3:1:	N[5,6]-3:Si[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:C-4:C-4:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]In[5]C[6])(Si[5]C[5]CC)(C[6]C[6]H)	Si[5](C[5,6]N[5,6]C[6])(C[5]In[5]Si2)(CH3)2	C[6](C[5,6]N[5,6]Si[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]In[5]C[6])(Si[5]C[5]CC)(C[6]C[6]H){2|Si<4>,1|C<3>,2|H<1>,2|I<1>}	Si[5](C[5,6]N[5,6]C[6])(C[5]In[5]Si2)(CH3)2{1|H<1>,2|C<3>,2|I<1>}	C[6](C[5,6]N[5,6]Si[5])(C[6]C[6]H)(H){1|In<4>,1|C<3>,1|H<1>,3|C<4>}	123.6410	0.000	1	123.9965	0.253	2	125.2514	1.033	7	125.2514	1.033	7	125.2514	1.033	7	127.1603	18.336	9
818	562	762	6:SP2_SP2_SP3	C[5,6]	Si[5,6]	C[6]	4:3:3:	3:4:3:4:	3:3:4:	Si[5,6]-4:C[5,6a]-3:C[6]-3:	C[5,6]-3:C[5]-4:C[6a]-3:C[6]-4:	C[5,6]-3:C[6a]-3:C[6]-4:	C[5,6](Si[5,6]C[6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6])	Si[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[5,6]C[5,6a]Si[5,6])(C[6a]C[6a]2)(C[6]C[6]HH)	C[5,6](Si[5,6]C[6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]){1|C<4>,6|C<3>,7|H<1>}	Si[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,4|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]Si[5,6])(C[6a]C[6a]2)(C[6]C[6]HH){2|C<4>,4|H<1>,5|C<3>}	123.4540	0.000	1	123.4540	0.000	1	123.4540	0.000	1	123.4540	0.000	1	123.4540	0.000	1	123.4540	0.000	1
818	562	770	0:SP2_SP2_SP3	C[5]	Si[5]	B	3:4:3:	3:3:4:4:	3:3:3:	C[5]-3:Si[5]-4:B-3:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]C[5])(Si[5]C[5]CC)(BC[6a]2)	Si[5](C[5]C[5]B)2(CH3)2	B(C[5]Si[5]C[5])(C[6a]C[6a]2)2	C[5](C[5]C[6a]C[5])(Si[5]C[5]CC)(BC[6a]2){1|B<3>,3|C<3>}	Si[5](C[5]C[5]B)2(CH3)2{2|C<3>}	B(C[5]Si[5]C[5])(C[6a]C[6a]2)2	125.2135	1.402	2	125.2135	1.966	2	125.2135	1.966	2	125.2135	1.966	2	127.5170	16.901	3	127.5170	16.901	3
818	562	770	0:SP2_SP2_SP3	C[5]	Si[5]	B	4:3:3:	3:3:4:4:	3:3:3:	Si[5]-4:C[5]-3:B-3:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](Si[5]C[5]CC)(C[5]C[5]H)(BC[6a]2)	Si[5](C[5]C[5]Si)(C[5]C[5]B)(CH3)2	B(C[5]Si[5]C[5])(C[6a]C[6a]2)2	C[5](Si[5]C[5]CC)(C[5]C[5]H)(BC[6a]2){2|Si<4>}	Si[5](C[5]C[5]Si)(C[5]C[5]B)(CH3)2{1|Si<4>,1|H<1>}	B(C[5]Si[5]C[5])(C[6a]C[6a]2)2	132.1240	0.000	1	132.1240	0.000	1	132.1240	0.000	1	132.1240	0.000	1	127.5170	16.901	3	127.5170	16.901	3
818	562	818	0:SP2_SP2_SP3	C[5,5]	Si[5]	C[5,5]	3:3:4:	3:3:4:4:	3:3:3:	C[5,5]-3:C[5,5]-3:Si[5]-4:	C[5,5]-3:C[5,5]-3:C-4:C-4:	C[5,6a]-3:C[5,5]-3:C[5,5]-3:	C[5,5](C[5,5]C[5,6a]C[5,5])(C[5,5]C[5,5]Si[5])(Si[5]C[5,5]CC)	Si[5](C[5,5]C[5,5]2)2(CCCH)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]Si[5])(C[5,5]Si[5]C[5])	C[5,5](C[5,5]C[5,6a]C[5,5])(C[5,5]C[5,5]Si[5])(Si[5]C[5,5]CC){1|Si<4>,2|C<4>,4|C<3>}	Si[5](C[5,5]C[5,5]2)2(CCCH)2{2|Si<4>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]Si[5])(C[5,5]Si[5]C[5]){1|H<1>,4|C<3>,5|C<4>}	138.3380	0.000	1	137.8235	0.529	2	137.2878	1.387	4	137.2878	1.387	4	136.9520	1.103	6	138.7950	11.057	18
818	562	818	0:SP2_SP2_SP3	C[5,5]	Si[5]	C[5,5]	3:3:4:	3:3:4:4:	3:3:3:	C[5,5]-3:C[5,5]-3:Si[5]-4:	C[5,5]-3:C[5,5]-3:C-4:C-4:	C[5,6a]-3:C[5,5]-3:C[5,5]-3:	C[5,5](C[5,5]C[5,6a]C[5,5])(C[5,5]C[5,5]Si[5])(Si[5]C[5,5]CC)	Si[5](C[5,5]C[5,5]2)2(CCCH)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]Si[5])(C[5,5]Si[5]C[5])	C[5,5](C[5,5]C[5,6a]C[5,5])(C[5,5]C[5,5]Si[5])(Si[5]C[5,5]CC){1|Si<4>,2|C<4>,4|C<3>}	Si[5](C[5,5]C[5,5]2)2(CCCH)2{3|Si<4>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]Si[5])(C[5,5]Si[5]C[5]){1|H<1>,4|C<3>,5|C<4>}	137.3090	0.000	1	137.8235	0.529	2	137.2878	1.387	4	137.2878	1.387	4	136.9520	1.103	6	138.7950	11.057	18
818	562	818	0:SP2_SP2_SP3	C[5,5]	Si[5]	C[5,5]	3:3:4:	3:3:4:4:	3:3:3:	C[5,5]-3:C[5,5]-3:Si[5]-4:	C[5,5]-3:C[5,5]-3:C-4:C-4:	C[5,6a]-3:C[5,5]-3:C[5,5]-3:	C[5,5](C[5,5]C[5,6a]C[5,5])(C[5,5]C[5,5]Si[5])(Si[5]C[5,5]CC)	Si[5](C[5,5]C[5,5]C[5])(C[5,5]C[5,5]2)(CCCH)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]Si[5])(C[5,5]Si[5]C[5])	C[5,5](C[5,5]C[5,6a]C[5,5])(C[5,5]C[5,5]Si[5])(Si[5]C[5,5]CC){2|C<4>,5|C<3>}	Si[5](C[5,5]C[5,5]C[5])(C[5,5]C[5,5]2)(CCCH)2{1|Si<4>,1|C<4>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]Si[5])(C[5,5]Si[5]C[5]){1|H<1>,4|C<3>,5|C<4>}	136.7520	1.575	2	136.7520	2.482	2	137.2878	1.387	4	137.2878	1.387	4	136.9520	1.103	6	138.7950	11.057	18
818	562	818	0:SP2_SP2_SP3	C[5,5]	Si[5]	C[5,5]	3:3:4:	3:3:4:4:	3:3:4:	C[5,5]-3:C[5,5]-3:Si[5]-4:	C[5,5]-3:C[5,5]-3:C-4:C-4:	C[5,5]-3:C[5,5]-3:Si[5]-4:	C[5,5](C[5,5]C[5,5]Si[5])2(Si[5]C[5,5]CC)	Si[5](C[5,5]C[5,5]2)2(CCCH)2	C[5,5](C[5,5]C[5,5]Si[5])2(Si[5]C[5,5]CC)	C[5,5](C[5,5]C[5,5]Si[5])2(Si[5]C[5,5]CC){1|Si<4>,3|C<3>,4|C<4>}	Si[5](C[5,5]C[5,5]2)2(CCCH)2{4|Si<4>,2|C<3>}	C[5,5](C[5,5]C[5,5]Si[5])2(Si[5]C[5,5]CC){4|C<3>,4|C<4>}	136.3120	0.000	1	136.3120	0.000	1	136.2805	0.002	2	136.2805	0.002	2	136.9520	1.103	6	138.7950	11.057	18
818	562	818	0:SP2_SP2_SP3	C[5,5]	Si[5]	C[5,5]	3:3:4:	3:3:4:4:	3:3:4:	C[5,5]-3:C[5,5]-3:Si[5]-4:	C[5,5]-3:C[5,5]-3:C-4:C-4:	C[5,5]-3:C[5,5]-3:Si[5]-4:	C[5,5](C[5,5]C[5,5]Si[5])2(Si[5]C[5,5]CC)	Si[5](C[5,5]C[5,5]C[5])(C[5,5]C[5,5]2)(CCCH)2	C[5,5](C[5,5]C[5,5]Si[5])2(Si[5]C[5,5]CC)	C[5,5](C[5,5]C[5,5]Si[5])2(Si[5]C[5,5]CC){4|C<3>,4|C<4>}	Si[5](C[5,5]C[5,5]C[5])(C[5,5]C[5,5]2)(CCCH)2{2|Si<4>,1|C<4>,3|C<3>}	C[5,5](C[5,5]C[5,5]Si[5])2(Si[5]C[5,5]CC){1|Si<4>,3|C<3>,4|C<4>}	136.2490	0.000	1	136.2490	0.000	1	136.2805	0.002	2	136.2805	0.002	2	136.9520	1.103	6	138.7950	11.057	18
818	562	818	0:SP2_SP2_SP3	C[5,5]	Si[5]	C[5]	3:3:4:	3:3:4:4:	3:3:3:	C[5,5]-3:C[5]-3:Si[5]-4:	C[5,5]-3:N[5]-3:C-4:C-4:	C[5,5]-3:N[5]-3:C[6a]-3:	C[5,5](C[5,5]Si[5]C[5])(C[5]C[6a]N[5])(Si[5]N[5]CC)	Si[5](C[5,5]C[5,5]C[5])(N[5]C[6a]C[5])(CH3)2	C[5](C[5,5]C[5,5]Si[5])(N[5]C[6a]Si[5])(C[6a]C[6a]2)	C[5,5](C[5,5]Si[5]C[5])(C[5]C[6a]N[5])(Si[5]N[5]CC){2|C<4>,5|C<3>}	Si[5](C[5,5]C[5,5]C[5])(N[5]C[6a]C[5])(CH3)2{1|Si<4>,1|N<3>,4|C<3>}	C[5](C[5,5]C[5,5]Si[5])(N[5]C[6a]Si[5])(C[6a]C[6a]2){1|N<3>,2|H<1>,4|C<4>,5|C<3>}	137.2792	1.240	4	137.2792	1.538	4	137.2792	1.538	4	137.2792	1.538	4	139.7165	13.808	12	138.7950	11.057	18
818	562	818	0:SP2_SP2_SP3	C[5,5]	Si[5]	C[5]	3:4:3:	3:3:4:4:	3:3:4:	C[5,5]-3:Si[5]-4:C[5]-3:	C[5,5]-3:C[5,5]-3:C-4:C-4:	C[5,6a]-3:C[5,5]-3:C-4:	C[5,5](C[5,5]C[5,6a]C[5,5])(Si[5]C[5,5]CC)(C[5]C[5,6a]C)	Si[5](C[5,5]C[5,5]C[5])(C[5,5]C[5,5]2)(CCCH)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]Si[5])(CC3)	C[5,5](C[5,5]C[5,6a]C[5,5])(Si[5]C[5,5]CC)(C[5]C[5,6a]C){1|Si<4>,3|C<3>}	Si[5](C[5,5]C[5,5]C[5])(C[5,5]C[5,5]2)(CCCH)2{1|Si<4>,1|C<4>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]Si[5])(CC3){1|H<1>,2|C<4>,4|C<3>}	145.1380	0.000	1	145.1380	0.000	1	143.0072	1.719	6	143.0072	1.719	6	139.7165	13.808	12	138.7950	11.057	18
818	562	818	0:SP2_SP2_SP3	C[5,5]	Si[5]	C[5]	3:4:3:	3:3:4:4:	3:3:4:	C[5,5]-3:Si[5]-4:C[5]-3:	C[5,5]-3:C[5,5]-3:C-4:C-4:	C[5,6a]-3:C[5,5]-3:C-4:	C[5,5](C[5,5]C[5,6a]C[5,5])(Si[5]C[5,5]CC)(C[5]C[5,6a]C)	Si[5](C[5,5]C[5,5]C[5])(C[5,5]C[5,5]2)(CCCH)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]Si[5])(CH3)	C[5,5](C[5,5]C[5,6a]C[5,5])(Si[5]C[5,5]CC)(C[5]C[5,6a]C){1|Si<4>,3|C<3>}	Si[5](C[5,5]C[5,5]C[5])(C[5,5]C[5,5]2)(CCCH)2{1|Si<4>,1|C<4>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]Si[5])(CH3){1|H<1>,2|C<4>,4|C<3>}	142.6730	0.000	1	143.1837	0.211	3	143.0072	1.719	6	143.0072	1.719	6	139.7165	13.808	12	138.7950	11.057	18
818	562	818	0:SP2_SP2_SP3	C[5,5]	Si[5]	C[5]	3:4:3:	3:3:4:4:	3:3:4:	C[5,5]-3:Si[5]-4:C[5]-3:	C[5,5]-3:C[5,5]-3:C-4:C-4:	C[5,6a]-3:C[5,5]-3:C-4:	C[5,5](C[5,5]C[5,6a]C[5,5])(Si[5]C[5,5]CC)(C[5]C[5,6a]C)	Si[5](C[5,5]C[5,5]C[5])(C[5,5]C[5,5]2)(CCCH)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]Si[5])(CH3)	C[5,5](C[5,5]C[5,6a]C[5,5])(Si[5]C[5,5]CC)(C[5]C[5,6a]C){1|Si<4>,3|C<3>}	Si[5](C[5,5]C[5,5]C[5])(C[5,5]C[5,5]2)(CCCH)2{2|Si<4>,1|C<4>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]Si[5])(CH3){1|H<1>,2|C<4>,4|C<3>}	143.4390	0.175	2	143.1837	0.211	3	143.0072	1.719	6	143.0072	1.719	6	139.7165	13.808	12	138.7950	11.057	18
818	562	818	0:SP2_SP2_SP3	C[5,5]	Si[5]	C[5]	3:4:3:	3:3:4:4:	3:3:4:	C[5,5]-3:Si[5]-4:C[5]-3:	C[5,5]-3:C[5,5]-3:C-4:C-4:	C[5,6a]-3:C[5,5]-3:C-4:	C[5,5](C[5,5]C[5,6a]C[5,5])(Si[5]C[5,5]CC)(C[5]C[5,6a]C)	Si[5](C[5,5]C[5,5]C[5])2(CCCH)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]Si[5])(CH3)	C[5,5](C[5,5]C[5,6a]C[5,5])(Si[5]C[5,5]CC)(C[5]C[5,6a]C){4|C<3>}	Si[5](C[5,5]C[5,5]C[5])2(CCCH)2{2|C<4>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]Si[5])(CH3){1|H<1>,2|C<4>,4|C<3>}	141.6770	0.020	2	141.6770	0.000	2	143.0072	1.719	6	143.0072	1.719	6	139.7165	13.808	12	138.7950	11.057	18
818	562	818	0:SP2_SP2_SP3	C[5,5]	Si[5]	C[5]	4:4:3:	3:3:4:4:	3:3:4:	C[5,5]-4:Si[5]-4:C[5]-3:	C[5,5]-3:N[5]-3:C-4:C-4:	C[5,5]-3:C[5]-3:C-4:	C[5,5](C[5,5]As[5]C[5]C)(Si[5]N[5]CC)(C[5]C[5]C)	Si[5](C[5,5]C[5,5]C[5])(N[5]As[5]C)(CH3)2	C[5](C[5,5]C[5,5]Si[5])(C[5]C[5]C)(CH3)	C[5,5](C[5,5]As[5]C[5]C)(Si[5]N[5]CC)(C[5]C[5]C){1|Cl<1>,3|C<4>}	Si[5](C[5,5]C[5,5]C[5])(N[5]As[5]C)(CH3)2{1|Cl<1>,2|C<3>,2|C<4>}	C[5](C[5,5]C[5,5]Si[5])(C[5]C[5]C)(CH3){1|As<3>,1|N<3>,4|C<4>}	134.7190	0.000	2	134.7190	0.000	2	134.7190	0.000	2	134.7190	0.000	2	139.7165	13.808	12	138.7950	11.057	18
818	562	818	5:SP2_SP2_SP3	C[5,5]	Si[5]	C[5,5]	3:3:4:	3:3:4:4:	3:3:2:	C[5,6a]-3:C[5,5]-3:Si[5]-4:	C[5,5]-3:C[5,6a]-3:C-4:C-4:	C[5,6a]-3:C[5,5]-3:Se[5]-2:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]Se[5])(Si[5]C[5,6a]CC)	Si[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(CH3)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]Si[5])(Se[5]C[5,6a])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]Se[5])(Si[5]C[5,6a]CC){1|H<1>,4|C<3>}	Si[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(CH3)2{1|Se<2>,1|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]Si[5])(Se[5]C[5,6a]){1|H<1>,2|C<4>,4|C<3>}	107.9375	0.144	2	107.9375	0.021	2	107.9375	0.021	2	107.9375	0.021	2	109.6811	47.425	30	109.0369	35.677	146
818	562	818	5:SP2_SP2_SP3	C[5,5]	Si[5]	C[5,5]	3:3:4:	3:3:4:4:	3:3:4:	C[5,5]-3:C[5,5]-3:Si[5]-4:	C[5,5]-3:C[5,5]-3:C-4:C-4:	C[5,5]-3:C[5,5]-3:Si[5]-4:	C[5,5](C[5,5]C[5,5]Si[5])2(Si[5]C[5,5]CC)	Si[5](C[5,5]C[5,5]2)2(CCCH)2	C[5,5](C[5,5]C[5,5]Si[5])2(Si[5]C[5,5]CC)	C[5,5](C[5,5]C[5,5]Si[5])2(Si[5]C[5,5]CC){1|Si<4>,3|C<3>,4|C<4>}	Si[5](C[5,5]C[5,5]2)2(CCCH)2{3|Si<4>,3|C<3>}	C[5,5](C[5,5]C[5,5]Si[5])2(Si[5]C[5,5]CC){1|Si<4>,3|C<3>,4|C<4>}	121.5100	19.100	2	116.6820	252.341	3	113.5277	126.129	10	110.2972	63.606	22	109.6811	47.425	30	109.0369	35.677	146
818	562	818	5:SP2_SP2_SP3	C[5,5]	Si[5]	C[5,5]	3:3:4:	3:3:4:4:	3:3:4:	C[5,5]-3:C[5,5]-3:Si[5]-4:	C[5,5]-3:C[5,5]-3:C-4:C-4:	C[5,5]-3:C[5,5]-3:Si[5]-4:	C[5,5](C[5,5]C[5,5]Si[5])2(Si[5]C[5,5]CC)	Si[5](C[5,5]C[5,5]2)2(CCCH)2	C[5,5](C[5,5]C[5,5]Si[5])2(Si[5]C[5,5]CC)	C[5,5](C[5,5]C[5,5]Si[5])2(Si[5]C[5,5]CC){1|Si<4>,3|C<3>,4|C<4>}	Si[5](C[5,5]C[5,5]2)2(CCCH)2{4|Si<4>,2|C<3>}	C[5,5](C[5,5]C[5,5]Si[5])2(Si[5]C[5,5]CC){1|Si<4>,3|C<3>,4|C<4>}	107.0260	0.000	1	116.6820	252.341	3	113.5277	126.129	10	110.2972	63.606	22	109.6811	47.425	30	109.0369	35.677	146
818	562	818	5:SP2_SP2_SP3	C[5,5]	Si[5]	C[5,5]	3:3:4:	3:3:4:4:	3:3:4:	C[5,5]-3:C[5,5]-3:Si[5]-4:	C[5,5]-3:C[5,5]-3:C-4:C-4:	C[5,5]-3:C[5,5]-3:Si[5]-4:	C[5,5](C[5,5]C[5,5]Si[5])2(Si[5]C[5,5]CC)	Si[5](C[5,5]C[5,5]C[5])(C[5,5]C[5,5]2)(CCCH)2	C[5,5](C[5,5]C[5,5]Si[5])2(Si[5]C[5,5]CC)	C[5,5](C[5,5]C[5,5]Si[5])2(Si[5]C[5,5]CC){4|C<3>,4|C<4>}	Si[5](C[5,5]C[5,5]C[5])(C[5,5]C[5,5]2)(CCCH)2{2|Si<4>,1|C<4>,3|C<3>}	C[5,5](C[5,5]C[5,5]Si[5])2(Si[5]C[5,5]CC){4|C<3>,4|C<4>}	134.5580	0.000	1	134.5580	0.000	1	113.5277	126.129	10	110.2972	63.606	22	109.6811	47.425	30	109.0369	35.677	146
818	562	818	5:SP2_SP2_SP3	C[5,5]	Si[5]	C[5,5]	3:3:4:	3:3:4:4:	3:3:4:	C[5,5]-3:C[5,5]-3:Si[5]-4:	C[5,5]-3:C[5,5]-3:C-4:C-4:	C[5,5]-3:C[5,5]-3:Si[5]-4:	C[5,5](C[5,5]C[5,5]Si[5])2(Si[5]C[5,5]CC)	Si[5](C[5,5]C[5,5]C[5])(C[5,5]C[5,5]2)(CCCH)2	C[5,5](C[5,5]C[5,6a]C[5,5])(C[5,5]C[5,5]Si[5])(Si[5]C[5,5]CC)	C[5,5](C[5,5]C[5,5]Si[5])2(Si[5]C[5,5]CC){4|C<3>,4|C<4>}	Si[5](C[5,5]C[5,5]C[5])(C[5,5]C[5,5]2)(CCCH)2{2|Si<4>,1|C<4>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5,5])(C[5,5]C[5,5]Si[5])(Si[5]C[5,5]CC){1|Si<4>,2|C<4>,4|C<3>}	108.4240	0.839	2	108.4240	0.703	2	113.5277	126.129	10	110.2972	63.606	22	109.6811	47.425	30	109.0369	35.677	146
818	562	818	5:SP2_SP2_SP3	C[5,5]	Si[5]	C[5,5]	3:3:4:	3:3:4:4:	3:3:4:	C[5,5]-3:C[5,5]-3:Si[5]-4:	C[5,5]-3:C[5,5]-3:C-4:C-4:	C[5,5]-3:C[5,5]-3:Si[5]-4:	C[5,5](C[5,5]C[5,6a]C[5,5])(C[5,5]C[5,5]Si[5])(Si[5]C[5,5]CC)	Si[5](C[5,5]C[5,5]2)2(CCCH)2	C[5,5](C[5,5]C[5,5]Si[5])2(Si[5]C[5,5]CC)	C[5,5](C[5,5]C[5,6a]C[5,5])(C[5,5]C[5,5]Si[5])(Si[5]C[5,5]CC){1|Si<4>,2|C<4>,4|C<3>}	Si[5](C[5,5]C[5,5]2)2(CCCH)2{2|Si<4>,4|C<3>}	C[5,5](C[5,5]C[5,5]Si[5])2(Si[5]C[5,5]CC){4|C<3>,4|C<4>}	107.7200	0.000	1	107.8795	0.051	2	113.5277	126.129	10	110.2972	63.606	22	109.6811	47.425	30	109.0369	35.677	146
818	562	818	5:SP2_SP2_SP3	C[5,5]	Si[5]	C[5,5]	3:3:4:	3:3:4:4:	3:3:4:	C[5,5]-3:C[5,5]-3:Si[5]-4:	C[5,5]-3:C[5,5]-3:C-4:C-4:	C[5,5]-3:C[5,5]-3:Si[5]-4:	C[5,5](C[5,5]C[5,6a]C[5,5])(C[5,5]C[5,5]Si[5])(Si[5]C[5,5]CC)	Si[5](C[5,5]C[5,5]2)2(CCCH)2	C[5,5](C[5,5]C[5,5]Si[5])2(Si[5]C[5,5]CC)	C[5,5](C[5,5]C[5,6a]C[5,5])(C[5,5]C[5,5]Si[5])(Si[5]C[5,5]CC){1|Si<4>,2|C<4>,4|C<3>}	Si[5](C[5,5]C[5,5]2)2(CCCH)2{3|Si<4>,3|C<3>}	C[5,5](C[5,5]C[5,5]Si[5])2(Si[5]C[5,5]CC){4|C<3>,4|C<4>}	108.0390	0.000	1	107.8795	0.051	2	113.5277	126.129	10	110.2972	63.606	22	109.6811	47.425	30	109.0369	35.677	146
818	562	818	5:SP2_SP2_SP3	C[5,5]	Si[5]	C[5,5]	3:3:4:	3:3:4:4:	3:3:4:	C[5,5]-3:C[5,5]-3:Si[5]-4:	C[5,5]-3:C[5,5]-3:C-4:C-4:	C[5,5]-3:C[5,5]-3:Si[5]-4:	C[5,5](C[5,5]C[5,6a]C[5,5])(C[5,5]C[5,5]Si[5])(Si[5]C[5,5]CC)	Si[5](C[5,5]C[5,5]C[5])(C[5,5]C[5,5]2)(CCCH)2	C[5,5](C[5,5]C[5,6a]C[5,5])(C[5,5]C[5,5]Si[5])(Si[5]C[5,5]CC)	C[5,5](C[5,5]C[5,6a]C[5,5])(C[5,5]C[5,5]Si[5])(Si[5]C[5,5]CC){2|C<4>,5|C<3>}	Si[5](C[5,5]C[5,5]C[5])(C[5,5]C[5,5]2)(CCCH)2{1|Si<4>,1|C<4>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5,5])(C[5,5]C[5,5]Si[5])(Si[5]C[5,5]CC){2|C<4>,5|C<3>}	109.0330	1.141	2	109.0330	1.302	2	113.5277	126.129	10	110.2972	63.606	22	109.6811	47.425	30	109.0369	35.677	146
818	562	818	5:SP2_SP2_SP3	C[5,5]	Si[5]	C[5,5]	3:3:4:	3:3:4:4:	3:3:4:	C[5,5]-3:C[5]-3:Si[5]-4:	C[5,5]-3:N[5]-3:C-4:C-4:	C[5,5]-3:C[5]-3:Si[5]-4:	C[5,5](C[5,5]Si[5]C[5])(C[5]C[6a]N[5])(Si[5]N[5]CC)	Si[5](C[5,5]C[5,5]C[5])(N[5]C[6a]C[5])(CH3)2	C[5,5](C[5,5]Si[5]C[5])(C[5]C[6a]N[5])(Si[5]N[5]CC)	C[5,5](C[5,5]Si[5]C[5])(C[5]C[6a]N[5])(Si[5]N[5]CC){2|C<4>,5|C<3>}	Si[5](C[5,5]C[5,5]C[5])(N[5]C[6a]C[5])(CH3)2{1|Si<4>,1|N<3>,4|C<3>}	C[5,5](C[5,5]Si[5]C[5])(C[5]C[6a]N[5])(Si[5]N[5]CC){2|C<4>,5|C<3>}	107.1351	0.865	7	107.1351	0.749	7	107.1351	0.749	7	110.2972	63.606	22	109.6811	47.425	30	109.0369	35.677	146
818	562	818	5:SP2_SP2_SP3	C[5,5]	Si[5]	C[5,5]	3:3:4:	3:3:4:4:	3:3:4:	C[5,6a]-3:C[5,5]-3:Si[5]-4:	C[5,5]-3:C[5,6a]-3:C-4:C-4:	C[5,6a]-3:C[5,5]-3:P[5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]P[5])(Si[5]C[5,6a]CC)	Si[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(CH3)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]Si[5])(P[5]C[5,6a]CO)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]P[5])(Si[5]C[5,6a]CC){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	Si[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(CH3)2{1|H<1>,1|P<4>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]Si[5])(P[5]C[5,6a]CO){1|H<1>,2|C<4>,4|C<3>}	108.3760	0.000	1	108.3760	0.000	1	108.5953	0.096	3	110.2972	63.606	22	109.6811	47.425	30	109.0369	35.677	146
818	562	818	5:SP2_SP2_SP3	C[5,5]	Si[5]	C[5,5]	3:3:4:	3:3:4:4:	3:3:4:	C[5,6a]-3:C[5,5]-3:Si[5]-4:	C[5,5]-3:C[5,6a]-3:C-4:C-4:	C[5,6a]-3:C[5,5]-3:P[5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]P[5])(Si[5]C[5,6a]CC)	Si[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(CH3)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]Si[5])(P[5]C[5,6a]C[6a]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]P[5])(Si[5]C[5,6a]CC){1|H<1>,1|O<1>,5|C<3>}	Si[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(CH3)2{1|H<1>,1|P<4>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]Si[5])(P[5]C[5,6a]C[6a]O){1|H<1>,2|C<4>,6|C<3>}	108.7050	0.346	2	108.7050	0.120	2	108.5953	0.096	3	110.2972	63.606	22	109.6811	47.425	30	109.0369	35.677	146
818	562	818	5:SP2_SP2_SP3	C[5,5]	Si[5]	C[5,5]	3:3:4:	3:3:4:4:	3:3:4:	C[5,6a]-3:C[5,5]-3:Si[5]-4:	C[5,5]-3:C[5,6a]-3:C-4:C-4:	C[5,6a]-3:C[5,5]-3:S[5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]S[5])(Si[5]C[5,6a]CC)	Si[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(CH3)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]Si[5])(S[5]C[5,6a]OO)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]S[5])(Si[5]C[5,6a]CC){1|H<1>,2|O<1>,4|C<3>}	Si[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(CH3)2{1|H<1>,1|S<4>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]Si[5])(S[5]C[5,6a]OO){1|H<1>,2|C<4>,4|C<3>}	107.7645	0.047	2	107.7645	0.002	2	107.7645	0.002	2	110.2972	63.606	22	109.6811	47.425	30	109.0369	35.677	146
818	562	818	5:SP2_SP2_SP3	C[5,5]	Si[5]	C[5,5]	3:4:3:	3:3:4:4:	3:3:3:	C[5,5]-3:Si[5]-4:C[5]-3:	C[5,5]-3:C[5,5]-3:C-4:C-4:	C[5,5]-3:C[5,6a]-3:C[5,5]-3:	C[5,5](C[5,5]C[5,6a]C[5,5])(Si[5]C[5,5]CC)(C[5]C[5,6a]C)	Si[5](C[5,5]C[5,5]C[5])2(CCCH)2	C[5,5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[5,5]Si[5]C[5])	C[5,5](C[5,5]C[5,6a]C[5,5])(Si[5]C[5,5]CC)(C[5]C[5,6a]C){4|C<3>}	Si[5](C[5,5]C[5,5]C[5])2(CCCH)2{2|C<4>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[5,5]Si[5]C[5]){1|H<1>,3|C<4>,5|C<3>}	109.2895	0.006	2	109.2895	0.000	2	109.2895	0.000	2	108.0033	1.654	6	109.6811	47.425	30	109.0369	35.677	146
818	562	818	5:SP2_SP2_SP3	C[5,5]	Si[5]	C[5,5]	3:4:3:	3:3:4:4:	3:3:3:	C[5,5]-3:Si[5]-4:C[5]-3:	C[5,5]-3:C[5,5]-3:C-4:C-4:	C[5,6a]-3:C[5,5]-3:C[5,5]-3:	C[5,5](C[5,5]C[5,6a]C[5,5])(Si[5]C[5,5]CC)(C[5]C[5,6a]C)	Si[5](C[5,5]C[5,5]C[5])(C[5,5]C[5,5]2)(CCCH)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]Si[5])(C[5,5]Si[5]C[5])	C[5,5](C[5,5]C[5,6a]C[5,5])(Si[5]C[5,5]CC)(C[5]C[5,6a]C){1|Si<4>,3|C<3>}	Si[5](C[5,5]C[5,5]C[5])(C[5,5]C[5,5]2)(CCCH)2{1|Si<4>,1|C<4>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]Si[5])(C[5,5]Si[5]C[5]){1|H<1>,4|C<3>,5|C<4>}	107.0965	1.715	2	107.3602	1.102	4	107.3602	1.102	4	108.0033	1.654	6	109.6811	47.425	30	109.0369	35.677	146
818	562	818	5:SP2_SP2_SP3	C[5,5]	Si[5]	C[5,5]	3:4:3:	3:3:4:4:	3:3:3:	C[5,5]-3:Si[5]-4:C[5]-3:	C[5,5]-3:C[5,5]-3:C-4:C-4:	C[5,6a]-3:C[5,5]-3:C[5,5]-3:	C[5,5](C[5,5]C[5,6a]C[5,5])(Si[5]C[5,5]CC)(C[5]C[5,6a]C)	Si[5](C[5,5]C[5,5]C[5])(C[5,5]C[5,5]2)(CCCH)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]Si[5])(C[5,5]Si[5]C[5])	C[5,5](C[5,5]C[5,6a]C[5,5])(Si[5]C[5,5]CC)(C[5]C[5,6a]C){1|Si<4>,3|C<3>}	Si[5](C[5,5]C[5,5]C[5])(C[5,5]C[5,5]2)(CCCH)2{2|Si<4>,1|C<4>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]Si[5])(C[5,5]Si[5]C[5]){1|H<1>,4|C<3>,5|C<4>}	107.6240	0.294	2	107.3602	1.102	4	107.3602	1.102	4	108.0033	1.654	6	109.6811	47.425	30	109.0369	35.677	146
818	562	818	5:SP2_SP2_SP3	C[5,5]	Si[5]	C[5]	3:3:4:	3:3:4:4:	3:3:3:	C[5,5]-3:C[5]-3:Si[5]-4:	C[5,5]-3:N[5]-3:C-4:C-4:	C[5,5]-3:N[5]-3:C[6a]-3:	C[5,5](C[5,5]Si[5]C[5])(C[5]C[6a]N[5])(Si[5]N[5]CC)	Si[5](C[5,5]C[5,5]C[5])(N[5]C[6a]C[5])(CH3)2	C[5](C[5,5]C[5,5]Si[5])(N[5]C[6a]Si[5])(C[6a]C[6a]2)	C[5,5](C[5,5]Si[5]C[5])(C[5]C[6a]N[5])(Si[5]N[5]CC){2|C<4>,5|C<3>}	Si[5](C[5,5]C[5,5]C[5])(N[5]C[6a]C[5])(CH3)2{1|Si<4>,1|N<3>,4|C<3>}	C[5](C[5,5]C[5,5]Si[5])(N[5]C[6a]Si[5])(C[6a]C[6a]2){1|N<3>,2|H<1>,4|C<4>,5|C<3>}	138.4567	0.307	3	138.4567	0.094	3	138.4567	0.094	3	138.4567	0.094	3	138.4567	0.094	3	109.0369	35.677	146
818	562	818	5:SP2_SP2_SP3	C[5,6]	Si[5,6,6]	C[5]	4:3:4:	3:3:4:4:	3:3:3:	Si[5,6,6]-4:C[5]-3:Si[6]-4:	C[5,6]-3:C[5,6]-3:C[6]-4:C[6]-4:	C[5,6]-3:C[5]-3:C[6a]-3:	C[5,6](Si[5,6,6]C[5,6]C[6]2)(C[5]C[6a]C[5])(Si[6]C[6]CC)	Si[5,6,6](C[5,6]Si[6]C[5])2(C[6]C[6]HH)2	C[5](C[5,6]Si[5,6,6]Si[6])(C[5]C[5,6]C[6a])(C[6a]C[6a]2)	C[5,6](Si[5,6,6]C[5,6]C[6]2)(C[5]C[6a]C[5])(Si[6]C[6]CC){1|Si<4>,3|C<3>,3|C<4>,5|H<1>}	Si[5,6,6](C[5,6]Si[6]C[5])2(C[6]C[6]HH)2{2|C<3>,2|H<1>,8|C<4>}	C[5](C[5,6]Si[5,6,6]Si[6])(C[5]C[5,6]C[6a])(C[6a]C[6a]2){1|Si<4>,2|H<1>,4|C<3>,5|C<4>}	106.5975	0.318	4	106.5975	0.101	4	106.5975	0.101	4	106.5975	0.101	4	106.5975	0.101	4	109.0369	35.677	146
818	562	818	5:SP2_SP2_SP3	C[5]	Si[5,5]	C[5]	3:3:4:	3:3:4:4:	3:3:3:	C[6a]-3:C[5]-3:Si[5,5]-4:	C[5]-3:C[5]-3:C[5]-4:C[5]-4:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]C[5])(Si[5,5]C[5]3)	Si[5,5](C[5]C[6a]C[5])2(C[5]C[5]HH)2	C[5](C[5]Si[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]C[5])(Si[5,5]C[5]3){2|C<4>,5|H<1>,6|C<3>}	Si[5,5](C[5]C[6a]C[5])2(C[5]C[5]HH)2{2|N<2>,4|C<3>,4|H<1>}	C[5](C[5]Si[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|N<2>,2|C<4>,2|H<1>,6|C<3>}	108.8660	0.000	1	108.8660	0.000	1	108.8660	0.000	1	108.8660	0.000	1	108.8660	0.000	1	109.0369	35.677	146
818	562	818	5:SP2_SP2_SP3	C[5]	Si[5,6]	C[5]	4:3:3:	3:3:2:2:	3:3:3:	Si[5,6]-4:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:O[6]-2:O[6]-2:	C[5]-3:C[5]-3:C[6a]-3:	C[5](Si[5,6]C[5]O[6]2)(C[5]C[6a]C[5])(C[6a]C[6a]2)	Si[5,6](C[5]C[6a]C[5])2(O[6]Si[6])2	C[5](C[5]Si[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](Si[5,6]C[5]O[6]2)(C[5]C[6a]C[5])(C[6a]C[6a]2){2|Si<4>,2|H<1>,6|C<3>}	Si[5,6](C[5]C[6a]C[5])2(O[6]Si[6])2{1|O<2>,4|C<4>,6|C<3>}	C[5](C[5]Si[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,2|O<2>,7|C<3>}	106.5282	0.409	4	106.5282	0.167	4	106.5282	0.167	4	106.5282	0.167	4	106.5282	0.167	4	109.0369	35.677	146
818	562	818	5:SP2_SP2_SP3	C[5]	Si[5]	C[5,6]	3:4:3:	3:4:4:4:	4:3:3:	C[5,6]-3:Si[5]-4:C[6a]-3:	C[5]-3:C[5]-4:Si-4:Si-4:	C[5,6]-4:C[6,6a]-3:C[5]-3:	C[5](C[5,6]C[6,6a]C[5,6])(Si[5]C[5]Si2)(C[6a]C[6a]2)	Si[5](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(SiC3)2	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]Si[5])	C[5](C[5,6]C[6,6a]C[5,6])(Si[5]C[5]Si2)(C[6a]C[6a]2){4|H<1>,6|C<3>}	Si[5](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(SiC3)2{5|C<3>}	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]Si[5]){2|Si<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	111.3290	0.000	1	111.3290	0.000	1	111.3290	0.000	1	111.3290	0.000	1	111.3290	0.000	1	109.0369	35.677	146
818	562	818	5:SP2_SP2_SP3	C[5]	Si[5]	C[5]	3:4:1:	3:3:4:4:	3:3:3:	C[5]-3:Si[5]-4:I-1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(Si[5]C[5]CC)(I)	Si[5](C[5]C[5]Si)(C[5]C[5]I)(CH3)2	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]Si[5]I)	C[5](C[5]C[6a]C[5])(Si[5]C[5]CC)(I){1|Si<4>,3|C<3>}	Si[5](C[5]C[5]Si)(C[5]C[5]I)(CH3)2{2|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]Si[5]I){1|Si<4>,2|C<4>,2|H<1>,4|C<3>}	110.7210	0.000	1	110.7210	0.000	1	110.7210	0.000	1	110.7210	0.000	1	108.1640	10.343	103	109.0369	35.677	146
818	562	818	5:SP2_SP2_SP3	C[5]	Si[5]	C[5]	3:4:3:	3:3:2:1:	3:3:3:	C[5]-3:Si[5]-4:C[6a]-3:	C[5]-3:C[5]-3:C-2:Cl-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]C[5])(Si[5]C[5]ClC)(C[6a]C[6a]2)	Si[5](C[5]C[6a]C[5])2(CC)(Cl)	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(Si[5]C[5]ClC)(C[6a]C[6a]2){2|H<1>,6|C<3>}	Si[5](C[5]C[6a]C[5])2(CC)(Cl){6|C<3>}	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|Cl<1>,1|C<2>,2|H<1>,7|C<3>}	105.2670	0.143	2	105.2670	0.020	2	105.2670	0.020	2	105.2670	0.020	2	108.1640	10.343	103	109.0369	35.677	146
818	562	818	5:SP2_SP2_SP3	C[5]	Si[5]	C[5]	3:4:3:	3:3:2:2:	3:3:3:	C[5]-3:Si[5]-4:C[6a]-3:	C[5]-3:C[5]-3:C-2:C-2:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]C[5])(Si[5]C[5]CC)(C[6a]C[6a]2)	Si[5](C[5]C[6a]C[5])2(CC)2	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(Si[5]C[5]CC)(C[6a]C[6a]2){2|H<1>,6|C<3>}	Si[5](C[5]C[6a]C[5])2(CC)2{6|C<3>}	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|C<2>,2|H<1>,7|C<3>}	106.2090	0.346	6	106.2090	0.120	6	106.2090	0.120	6	106.4467	0.302	15	108.1640	10.343	103	109.0369	35.677	146
818	562	818	5:SP2_SP2_SP3	C[5]	Si[5]	C[5]	3:4:3:	3:3:2:2:	3:3:3:	C[5]-3:Si[5]-4:C[6a]-3:	C[5]-3:C[5]-3:O-2:O-2:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]C[5])(Si[5]C[5]OO)(C[6a]C[6a]2)	Si[5](C[5]C[6a]C[5])2(OC)2	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(Si[5]C[5]OO)(C[6a]C[6a]2){2|H<1>,6|C<3>}	Si[5](C[5]C[6a]C[5])2(OC)2{6|C<3>}	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,2|O<2>,7|C<3>}	106.5940	0.306	3	106.5940	0.094	3	106.6052	0.382	9	106.4467	0.302	15	108.1640	10.343	103	109.0369	35.677	146
818	562	818	5:SP2_SP2_SP3	C[5]	Si[5]	C[5]	3:4:3:	3:3:2:2:	3:3:3:	C[5]-3:Si[5]-4:C[6a]-3:	C[5]-3:C[5]-3:O-2:O-2:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]C[5])(Si[5]C[5]OO)(C[6a]C[6a]2)	Si[5](C[5]C[6a]C[5])2(ON)2	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(Si[5]C[5]OO)(C[6a]C[6a]2){2|H<1>,6|C<3>}	Si[5](C[5]C[6a]C[5])2(ON)2{6|C<3>}	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,2|O<2>,7|C<3>}	106.8600	0.461	2	106.8600	0.213	2	106.6052	0.382	9	106.4467	0.302	15	108.1640	10.343	103	109.0369	35.677	146
818	562	818	5:SP2_SP2_SP3	C[5]	Si[5]	C[5]	3:4:3:	3:3:2:2:	3:3:3:	C[5]-3:Si[5]-4:C[6a]-3:	C[5]-3:C[5]-3:O-2:O-2:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]C[5])(Si[5]C[5]OO)(C[6a]C[6a]2)	Si[5](C[5]C[6a]C[5])2(OSi)2	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(Si[5]C[5]OO)(C[6a]C[6a]2){2|H<1>,6|C<3>}	Si[5](C[5]C[6a]C[5])2(OSi)2{6|C<3>}	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,2|O<2>,7|C<3>}	106.4862	0.908	4	106.4862	0.824	4	106.6052	0.382	9	106.4467	0.302	15	108.1640	10.343	103	109.0369	35.677	146
818	562	818	5:SP2_SP2_SP3	C[5]	Si[5]	C[5]	3:4:3:	3:3:4:3:	3:3:3:	C[5]-3:Si[5]-4:C[6a]-3:	C[5]-3:C[5]-3:C-4:C-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]C[5])(Si[5]C[5]CC)(C[6a]C[6a]2)	Si[5](C[5]C[6a]C[5])2(CH3)(CCH)	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(Si[5]C[5]CC)(C[6a]C[6a]2){2|H<1>,6|C<3>}	Si[5](C[5]C[6a]C[5])2(CH3)(CCH){6|C<3>}	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,2|H<1>,8|C<3>}	107.5923	0.386	6	107.5923	0.149	6	107.5923	0.149	6	107.5923	0.149	6	108.1640	10.343	103	109.0369	35.677	146
818	562	818	5:SP2_SP2_SP3	C[5]	Si[5]	C[5]	3:4:3:	3:3:4:4:	3:3:3:	C[5]-3:Si[5]-4:B-3:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(Si[5]C[5]CC)(BC[6a]2)	Si[5](C[5]C[5]B)2(CH3)2	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]Si[5]B)	C[5](C[5]C[6a]C[5])(Si[5]C[5]CC)(BC[6a]2){1|B<3>,3|C<3>}	Si[5](C[5]C[5]B)2(CH3)2{2|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]Si[5]B){1|B<3>,2|C<4>,2|H<1>,4|C<3>}	105.8665	0.477	2	105.8665	0.228	2	105.8665	0.228	2	107.9605	0.752	27	108.1640	10.343	103	109.0369	35.677	146
818	562	818	5:SP2_SP2_SP3	C[5]	Si[5]	C[5]	3:4:3:	3:3:4:4:	3:3:3:	C[5]-3:Si[5]-4:C-3:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(Si[5]C[5]CC)(CCH)	Si[5](C[5]C[5]C)2(CH3)2	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]Si[5]C)	C[5](C[5]C[6a]C[5])(Si[5]C[5]CC)(CCH){4|C<3>}	Si[5](C[5]C[5]C)2(CH3)2{2|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]Si[5]C){2|C<4>,2|H<1>,5|C<3>}	107.4030	0.400	2	107.4030	0.160	2	107.4030	0.160	2	107.9605	0.752	27	108.1640	10.343	103	109.0369	35.677	146
818	562	818	5:SP2_SP2_SP3	C[5]	Si[5]	C[5]	3:4:3:	3:3:4:4:	3:3:3:	C[5]-3:Si[5]-4:C[5a]-3:	C[5,5a]-3:C[5]-3:C-4:C-4:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5](C[5]C[5,5a]C[5a])(Si[5]C[5,5a]CC)(C[5a]C[5a]2)	Si[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5a]C[5])(CH3)2	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5a]Si[5])(C[5a]C[5a]2)	C[5](C[5]C[5,5a]C[5a])(Si[5]C[5,5a]CC)(C[5a]C[5a]2){1|C<4>,1|H<1>,2|S<2>,4|C<3>}	Si[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5a]C[5])(CH3)2{1|S<2>,5|C<3>}	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5a]Si[5])(C[5a]C[5a]2){1|H<1>,1|S<2>,3|C<4>,5|C<3>}	109.4280	0.686	2	109.4280	0.470	2	109.4280	0.470	2	107.9605	0.752	27	108.1640	10.343	103	109.0369	35.677	146
818	562	818	5:SP2_SP2_SP3	C[5]	Si[5]	C[5]	3:4:3:	3:3:4:4:	3:3:3:	C[5]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[5,6a]C[6a])(Si[5]C[5,6a]CC)(C[6a]C[6a]2)	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CH3)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]Si[5])(C[6a]C[6a]2)	C[5](C[5]C[5,6a]C[6a])(Si[5]C[5,6a]CC)(C[6a]C[6a]2){2|H<1>,6|C<3>}	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CH3)2{1|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]Si[5])(C[6a]C[6a]2){2|C<4>,3|H<1>,6|C<3>}	108.2620	0.000	1	108.2620	0.000	1	108.2620	0.000	1	107.9605	0.752	27	108.1640	10.343	103	109.0369	35.677	146
818	562	818	5:SP2_SP2_SP3	C[5]	Si[5]	C[5]	3:4:3:	3:3:4:4:	3:3:3:	C[5]-3:Si[5]-4:C[6a]-3:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]C[5])(Si[5]C[5]CC)(C[6a]C[6a]2)	Si[5](C[5]C[6a]C[5])2(CH3)2	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(Si[5]C[5]CC)(C[6a]C[6a]2){2|H<1>,6|C<3>}	Si[5](C[5]C[6a]C[5])2(CH3)2{6|C<3>}	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|C<4>,2|H<1>,7|C<3>}	108.0638	0.496	20	108.0638	0.246	20	108.0638	0.246	20	107.9605	0.752	27	108.1640	10.343	103	109.0369	35.677	146
818	562	818	5:SP2_SP2_SP3	C[5]	Si[5]	C[5]	3:4:3:	3:4:4:4:	3:3:4:	C[5]-3:Si[5]-4:C[6a]-3:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[6a]C[5])(Si[5]C[5]CC)(C[6a]C[6a]2)	Si[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C[5](C[5]C[6a]Si[5])(C[6a]C[6a]2)(C[5]C[5]HO)	C[5](C[5]C[6a]C[5])(Si[5]C[5]CC)(C[6a]C[6a]2){1|O<2>,4|C<3>,5|H<1>}	Si[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|H<1>,1|O<2>,3|C<3>}	C[5](C[5]C[6a]Si[5])(C[6a]C[6a]2)(C[5]C[5]HO){2|C<4>,4|C<3>,4|H<1>}	109.7780	0.000	1	109.7780	0.000	1	109.7780	0.000	1	109.7780	0.000	1	108.1640	10.343	103	109.0369	35.677	146
818	562	818	5:SP2_SP2_SP3	C[5]	Si[5]	C[5]	3:4:3:	3:4:4:4:	3:4:3:	C[5]-3:Si[5]-4:C[6a]-3:	C[5]-3:Si[5]-4:C-4:C-4:	C[5]-3:Si[5]-4:C[6a]-3:	C[5](C[5]C[6a]Si[5])(Si[5]Si[5]CC)(C[6a]C[6a]2)	Si[5](C[5]C[6a]C[5])(Si[5]Si[5]CC)(CH3)2	C[5](C[5]C[6a]Si[5])(Si[5]Si[5]CC)(C[6a]C[6a]2)	C[5](C[5]C[6a]Si[5])(Si[5]Si[5]CC)(C[6a]C[6a]2){2|H<1>,4|C<3>,4|C<4>}	Si[5](C[5]C[6a]C[5])(Si[5]Si[5]CC)(CH3)2{2|C<4>,3|C<3>}	C[5](C[5]C[6a]Si[5])(Si[5]Si[5]CC)(C[6a]C[6a]2){2|H<1>,4|C<3>,4|C<4>}	122.0870	0.785	2	122.0870	0.616	2	122.0870	0.616	2	122.0870	0.616	2	108.1640	10.343	103	109.0369	35.677	146
818	562	818	5:SP2_SP2_SP3	C[5]	Si[5]	C[5]	3:4:4:	3:3:4:4:	3:3:3:	C[5]-3:C[5]-4:Si[5]-4:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]C[5])(C[5]C[5]2Fe)(Si[5]C[5]CC)	Si[5](C[5]C[5]2)2(CH3)2	C[5](C[5]C[6a]C[5])(C[5]Si[5]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]2Fe)(Si[5]C[5]CC){2|H<1>,3|C<3>,3|C<4>}	Si[5](C[5]C[5]2)2(CH3)2{2|Fe<10>,2|C<3>,4|C<4>}	C[5](C[5]C[6a]C[5])(C[5]Si[5]C[5])(C[6a]C[6a]2){1|Fe<10>,2|H<1>,4|C<3>,5|C<4>}	107.3425	0.046	2	107.3425	0.002	2	107.3425	0.002	2	106.7176	0.657	5	108.1640	10.343	103	109.0369	35.677	146
818	562	818	5:SP2_SP2_SP3	C[5]	Si[5]	C[5]	3:4:4:	3:3:4:4:	3:3:3:	C[5]-3:Si[5]-4:C-4:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(Si[5]C[5]CC)(CCHH)	Si[5](C[5]C[5]Si)(C[5]C[5]C)(CH3)2	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]Si[5]C)	C[5](C[5]C[6a]C[5])(Si[5]C[5]CC)(CCHH){1|Si<4>,3|C<3>}	Si[5](C[5]C[5]Si)(C[5]C[5]C)(CH3)2{2|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]Si[5]C){1|Si<4>,2|C<4>,2|H<1>,4|C<3>}	107.0400	0.000	1	107.0400	0.000	1	107.0400	0.000	1	106.7176	0.657	5	108.1640	10.343	103	109.0369	35.677	146
818	562	818	5:SP2_SP2_SP3	C[5]	Si[5]	C[5]	3:4:4:	3:3:4:4:	3:3:3:	C[5]-3:Si[5]-4:Si-4:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]C[5])(Si[5]C[5]CC)(SiC3)	Si[5](C[5]C[5]Si)(C[5]C[5]C)(CH3)2	C[5](C[5]C[6a]C[5])(C[5]Si[5]Si)(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(Si[5]C[5]CC)(SiC3){1|C<4>,3|C<3>}	Si[5](C[5]C[5]Si)(C[5]C[5]C)(CH3)2{2|C<3>}	C[5](C[5]C[6a]C[5])(C[5]Si[5]Si)(C[6a]C[6a]2){2|H<1>,3|C<4>,4|C<3>}	105.4280	0.000	1	105.4280	0.000	1	105.9315	0.507	2	106.7176	0.657	5	108.1640	10.343	103	109.0369	35.677	146
818	562	818	5:SP2_SP2_SP3	C[5]	Si[5]	C[5]	3:4:4:	3:3:4:4:	3:3:3:	C[5]-3:Si[5]-4:Si-4:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]C[5])(Si[5]C[5]CC)(SiC3)	Si[5](C[5]C[5]Si)(C[5]C[5]I)(CH3)2	C[5](C[5]C[6a]C[5])(C[5]Si[5]Si)(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(Si[5]C[5]CC)(SiC3){1|I<1>,3|C<3>}	Si[5](C[5]C[5]Si)(C[5]C[5]I)(CH3)2{2|C<3>}	C[5](C[5]C[6a]C[5])(C[5]Si[5]Si)(C[6a]C[6a]2){1|I<1>,2|C<4>,2|H<1>,4|C<3>}	106.4350	0.000	1	106.4350	0.000	1	105.9315	0.507	2	106.7176	0.657	5	108.1640	10.343	103	109.0369	35.677	146
818	562	818	5:SP2_SP2_SP3	C[5]	Si[5]	C[5]	4:3:1:	3:3:3:3:	3:3:3:	Si[5]-4:C[5]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](Si[5]C[6a]2C[5])(C[5]C[6a]C[5])(H)	Si[5](C[5]C[6a]C[5])(C[6a]C[6a]2)2(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]Si[5]H)	C[5](Si[5]C[6a]2C[5])(C[5]C[6a]C[5])(H){8|C<3>}	Si[5](C[5]C[6a]C[5])(C[6a]C[6a]2)2(C[5]C[5]H){4|H<1>,8|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]Si[5]H){2|H<1>,7|C<3>}	108.8740	0.000	1	108.8740	0.000	1	108.8740	0.000	1	109.1457	0.055	3	108.1640	10.343	103	109.0369	35.677	146
818	562	818	5:SP2_SP2_SP3	C[5]	Si[5]	C[5]	4:3:1:	3:3:3:3:	3:3:3:	Si[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](Si[5]C[6a]2C[5])(C[5]C[6a]C[5])(H)	Si[5](C[6a]C[6a]2)2(C[5]C[5]H)2	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]Si[5]H)	C[5](Si[5]C[6a]2C[5])(C[5]C[6a]C[5])(H){1|H<1>,7|C<3>}	Si[5](C[6a]C[6a]2)2(C[5]C[5]H)2{4|H<1>,6|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]Si[5]H){3|H<1>,6|C<3>}	109.2815	0.006	2	109.2815	0.000	2	109.2815	0.000	2	109.1457	0.055	3	108.1640	10.343	103	109.0369	35.677	146
818	562	818	5:SP2_SP2_SP3	C[5]	Si[5]	C[5]	4:3:1:	3:3:3:4:	3:3:2:	Si[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:O-2:	C[5](Si[5]C[5,6a]C[6a]C)(C[5]C[5,6a]O)(H)	Si[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)(CC3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]Si[5]H)(OC[6a])	C[5](Si[5]C[5,6a]C[6a]C)(C[5]C[5,6a]O)(H){4|C<3>}	Si[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)(CC3){1|O<2>,3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]Si[5]H)(OC[6a]){1|C<4>,1|H<1>,3|C<3>}	107.8195	0.337	2	107.8195	0.114	2	107.8195	0.114	2	107.8195	0.114	2	108.1640	10.343	103	109.0369	35.677	146
818	562	818	5:SP2_SP2_SP3	C[5]	Si[5]	C[5]	4:3:1:	4:3:4:4:	4:3:4:	Si[5]-4:C[5]-3:H-1:	Si[5]-4:C[5]-3:Si-4:Si-4:	Ge[5,5]-4:C[5]-3:Si-4:	C[5](Si[5]Si[5]Si2)(C[5]Ge[5,5]Si)(H)	Si[5](Si[5]Ge[5,5]CC)(C[5]C[5]H)(SiC3)2	C[5](Ge[5,5]Si[5]2C[5])(C[5]Si[5]H)(SiC3)	C[5](Si[5]Si[5]Si2)(C[5]Ge[5,5]Si)(H){1|Si<4>,1|C<3>,2|C<4>}	Si[5](Si[5]Ge[5,5]CC)(C[5]C[5]H)(SiC3)2{2|Si<4>,1|C<3>}	C[5](Ge[5,5]Si[5]2C[5])(C[5]Si[5]H)(SiC3){4|Si<4>,1|C<3>,4|C<4>}	126.6550	0.000	1	126.6550	0.000	1	126.6550	0.000	1	126.6550	0.000	1	108.1640	10.343	103	109.0369	35.677	146
818	562	818	5:SP2_SP2_SP3	C[5]	Si[5]	C[5]	4:3:2:	3:3:4:4:	3:3:2:	Si[5]-4:C[5]-3:S-2:	C[5,5a]-3:C[5]-3:C-4:C-4:	C[5,5a]-3:C[5]-3:C-2:	C[5](Si[5]C[5,5a]CC)(C[5]C[5,5a]C)(SS)	Si[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]S)(CH3)2	C[5](C[5,5a]C[5,5a]C[5a])(C[5]Si[5]S)(CC)	C[5](Si[5]C[5,5a]CC)(C[5]C[5,5a]C)(SS){2|C<3>}	Si[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]S)(CH3)2{1|Si<4>,1|C<2>,1|C<3>,1|S<2>}	C[5](C[5,5a]C[5,5a]C[5a])(C[5]Si[5]S)(CC){1|Si<4>,1|C<3>,1|S<2>,2|C<4>}	111.5060	0.000	1	111.5060	0.000	1	111.5060	0.000	1	111.5060	0.000	1	108.1640	10.343	103	109.0369	35.677	146
818	562	818	5:SP2_SP2_SP3	C[5]	Si[5]	C[5]	4:3:3:	3:2:4:4:	3:3:2:	Si[5]-4:C[6a]-3:C[5]-3:	C[5]-3:N[5]-2:C-4:C-4:	C[5]-3:C[5]-3:C-2:	C[5](Si[5]N[5]CC)(C[6a]C[6a]2)(C[5]C[5]C)	Si[5](C[5]C[6a]C[5])(N[5]C[5])(CH3)2	C[5](C[5]C[6a]Si[5])(C[5]N[5]C)(CC)	C[5](Si[5]N[5]CC)(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	Si[5](C[5]C[6a]C[5])(N[5]C[5])(CH3)2{1|C<2>,1|C<4>,2|C<3>}	C[5](C[5]C[6a]Si[5])(C[5]N[5]C)(CC){2|C<3>,2|C<4>}	105.7850	0.000	1	105.7850	0.000	1	105.7850	0.000	1	105.7850	0.000	1	108.1640	10.343	103	109.0369	35.677	146
818	562	818	5:SP2_SP2_SP3	C[5]	Si[5]	C[5]	4:3:3:	3:2:4:4:	3:3:3:	Si[5]-4:C[6a]-3:C[5]-3:	C[5]-3:N[5]-2:C-4:C-4:	C[5]-3:C[5]-3:C-3:	C[5](Si[5]N[5]CC)(C[6a]C[6a]2)(C[5]C[5]C)	Si[5](C[5]C[6a]C[5])(N[5]C[5])(CH3)2	C[5](C[5]C[6a]Si[5])(C[5]N[5]C)(CZrC)	C[5](Si[5]N[5]CC)(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	Si[5](C[5]C[6a]C[5])(N[5]C[5])(CH3)2{1|C<4>,3|C<3>}	C[5](C[5]C[6a]Si[5])(C[5]N[5]C)(CZrC){2|C<3>,2|C<4>}	106.3460	0.000	1	106.3460	0.000	1	106.3460	0.000	1	106.3460	0.000	1	108.1640	10.343	103	109.0369	35.677	146
818	562	818	5:SP2_SP2_SP3	C[5]	Si[5]	C[5]	4:3:3:	3:2:4:4:	3:3:4:	Si[5]-4:C[6a]-3:C[5]-3:	C[5]-3:N[5]-2:C-4:C-4:	C[5]-3:C[5]-3:C-4:	C[5](Si[5]N[5]CC)(C[6a]C[6a]2)(C[5]C[5]C)	Si[5](C[5]C[6a]C[5])(N[5]C[5])(CH3)2	C[5](C[5]C[6a]Si[5])(C[5]N[5]C)(CZrCC)	C[5](Si[5]N[5]CC)(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	Si[5](C[5]C[6a]C[5])(N[5]C[5])(CH3)2{2|C<3>,2|C<4>}	C[5](C[5]C[6a]Si[5])(C[5]N[5]C)(CZrCC){2|C<3>,2|C<4>}	106.1240	0.000	1	106.1240	0.000	1	106.1240	0.000	1	106.1240	0.000	1	108.1640	10.343	103	109.0369	35.677	146
818	562	818	5:SP2_SP2_SP3	C[5]	Si[5]	C[5]	4:3:3:	3:3:2:3:	3:3:1:	Si[5]-4:C[5]-3:N-3:	N[5]-3:C[5]-3:N-2:N-3:	C[5]-3:C[5]-3:H-1:	C[5](Si[5]N[5]NN)(C[5]C[5]H)(NCC)	Si[5](N[5]C[6a]C[5])(C[5]C[5]N)(NC[6a])(NSi2)	C[5](C[5]Si[5]N)(C[5]N[5]N)(H)	C[5](Si[5]N[5]NN)(C[5]C[5]H)(NCC){1|C<3>,1|N<3>}	Si[5](N[5]C[6a]C[5])(C[5]C[5]N)(NC[6a])(NSi2){1|H<1>,1|N<3>,2|C<3>}	C[5](C[5]Si[5]N)(C[5]N[5]N)(H){1|C<3>,1|N<2>,1|N<3>}	108.4500	0.000	1	108.4500	0.000	1	108.4500	0.000	1	108.5435	0.017	2	108.1640	10.343	103	109.0369	35.677	146
818	562	818	5:SP2_SP2_SP3	C[5]	Si[5]	C[5]	4:3:3:	3:3:2:3:	3:3:1:	Si[5]-4:C[5]-3:N-3:	N[5]-3:C[5]-3:N-2:P-3:	C[5]-3:C[5]-3:H-1:	C[5](Si[5]N[5]NP)(C[5]C[5]H)(NCC)	Si[5](N[5]C[6a]C[5])(C[5]C[5]N)(NC[6a])(PSi2)	C[5](C[5]Si[5]N)(C[5]N[5]N)(H)	C[5](Si[5]N[5]NP)(C[5]C[5]H)(NCC){1|C<3>,1|N<3>}	Si[5](N[5]C[6a]C[5])(C[5]C[5]N)(NC[6a])(PSi2){1|H<1>,1|N<3>,2|C<3>}	C[5](C[5]Si[5]N)(C[5]N[5]N)(H){1|C<3>,1|N<2>,1|P<3>}	108.6370	0.000	1	108.6370	0.000	1	108.6370	0.000	1	108.5435	0.017	2	108.1640	10.343	103	109.0369	35.677	146
818	562	818	5:SP2_SP2_SP3	C[5]	Si[5]	C[5]	4:3:3:	3:3:2:4:	3:3:1:	Si[5]-4:C[5]-3:N-3:	N[5]-3:C[5]-3:N-2:Si-4:	C[5]-3:C[5]-3:H-1:	C[5](Si[5]N[5]SiN)(C[5]C[5]H)(NCC)	Si[5](N[5]C[6a]C[5])(C[5]C[5]N)(NC[6a])(SiSi3)	C[5](C[5]Si[5]N)(C[5]N[5]N)(H)	C[5](Si[5]N[5]SiN)(C[5]C[5]H)(NCC){1|C<3>,1|N<3>}	Si[5](N[5]C[6a]C[5])(C[5]C[5]N)(NC[6a])(SiSi3){1|H<1>,1|N<3>,2|C<3>}	C[5](C[5]Si[5]N)(C[5]N[5]N)(H){1|Si<4>,1|C<3>,1|N<2>}	109.9850	0.000	1	109.9850	0.000	1	109.9850	0.000	1	109.9850	0.000	1	108.1640	10.343	103	109.0369	35.677	146
818	562	818	5:SP2_SP2_SP3	C[5]	Si[5]	C[5]	4:3:3:	3:3:3:2:	3:3:3:	Si[5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:C-2:	C[5]-3:C[5]-3:C[6a]-3:	C[5](Si[5]C[6a]C[5]C)(C[5]C[6a]C[5])(C[6a]C[6a]2)	Si[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)(CC)	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](Si[5]C[6a]C[5]C)(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,8|C<3>}	Si[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)(CC){2|H<1>,8|C<3>}	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<2>,2|H<1>,8|C<3>}	106.5285	0.482	2	106.5285	0.232	2	106.5285	0.232	2	106.5285	0.232	2	108.1640	10.343	103	109.0369	35.677	146
818	562	818	5:SP2_SP2_SP3	C[5]	Si[5]	C[5]	4:3:3:	3:3:3:3:	3:3:3:	Si[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](Si[5]C[5,6a]C[6a]2)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]Si[5])(C[6a]C[6a]2)	C[5](Si[5]C[5,6a]C[6a]2)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){10|C<3>,2|H<1>}	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)2{5|H<1>,9|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]Si[5])(C[6a]C[6a]2){3|H<1>,8|C<3>}	108.4857	0.135	4	108.4857	0.018	4	108.4857	0.018	4	107.8493	0.564	9	108.1640	10.343	103	109.0369	35.677	146
818	562	818	5:SP2_SP2_SP3	C[5]	Si[5]	C[5]	4:3:3:	3:3:3:3:	3:3:3:	Si[5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](Si[5]C[6a]2C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	Si[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)2	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](Si[5]C[6a]2C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){10|C<3>,2|H<1>}	Si[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)2{10|C<3>,4|H<1>}	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,9|C<3>}	107.2632	0.689	4	107.2632	0.475	4	107.2632	0.475	4	107.8493	0.564	9	108.1640	10.343	103	109.0369	35.677	146
818	562	818	5:SP2_SP2_SP3	C[5]	Si[5]	C[5]	4:3:3:	3:3:3:3:	3:3:3:	Si[5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](Si[5]C[6a]2C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	Si[5](C[5]C[6a]C[5])(C[6a]C[6a]2)2(C[5]C[5]H)	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](Si[5]C[6a]2C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){3|H<1>,9|C<3>}	Si[5](C[5]C[6a]C[5])(C[6a]C[6a]2)2(C[5]C[5]H){4|H<1>,8|C<3>}	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){3|H<1>,8|C<3>}	107.6480	0.000	1	107.6480	0.000	1	107.6480	0.000	1	107.8493	0.564	9	108.1640	10.343	103	109.0369	35.677	146
818	562	818	5:SP2_SP2_SP3	C[5]	Si[5]	C[5]	4:3:3:	3:3:3:4:	3:3:3:	Si[5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:C-4:	C[5]-3:C[5]-3:C[6a]-3:	C[5](Si[5]C[6a]C[5]C)(C[5]C[6a]C[5])(C[6a]C[6a]2)	Si[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)(CH3)	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](Si[5]C[6a]C[5]C)(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,8|C<3>}	Si[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)(CH3){2|H<1>,8|C<3>}	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,2|H<1>,8|C<3>}	108.1580	0.130	2	108.1580	0.017	2	108.1580	0.017	2	108.1580	0.017	2	108.1640	10.343	103	109.0369	35.677	146
818	562	818	5:SP2_SP2_SP3	C[5]	Si[5]	C[5]	4:3:3:	3:3:4:1:	3:3:4:	Si[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C-4:Cl-1:	C[5,6a]-3:C[5]-3:C-4:	C[5](Si[5]C[5,6a]ClC)(C[5]C[5,6a]C)(C[6a]C[6a]2)	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CCHH)(Cl)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]Si[5])(CCHH)	C[5](Si[5]C[5,6a]ClC)(C[5]C[5,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CCHH)(Cl){1|C<4>,1|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]Si[5])(CCHH){1|Cl<1>,1|C<4>,1|H<1>,4|C<3>}	108.4790	0.000	1	108.4790	0.000	1	108.4790	0.000	1	108.4790	0.000	1	108.1640	10.343	103	109.0369	35.677	146
818	562	818	5:SP2_SP2_SP3	C[5]	Si[5]	C[5]	4:3:3:	3:3:4:4:	3:3:1:	Si[5]-4:C[5]-3:B-3:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](Si[5]C[5]CC)(C[5]C[5]H)(BC[6a]2)	Si[5](C[5]C[5]Si)(C[5]C[5]B)(CH3)2	C[5](C[5]C[5]Si)(C[5]Si[5]B)(H)	C[5](Si[5]C[5]CC)(C[5]C[5]H)(BC[6a]2){2|Si<4>}	Si[5](C[5]C[5]Si)(C[5]C[5]B)(CH3)2{1|Si<4>,1|H<1>}	C[5](C[5]C[5]Si)(C[5]Si[5]B)(H){1|Si<4>,2|C<4>}	105.0460	0.000	1	105.0460	0.000	1	105.0460	0.000	1	107.3136	1.681	5	108.1640	10.343	103	109.0369	35.677	146
818	562	818	5:SP2_SP2_SP3	C[5]	Si[5]	C[5]	4:3:3:	3:3:4:4:	3:3:1:	Si[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[5]-3:H-1:	C[5](Si[5]C[5,6a]CC)(C[5]C[5,6a]H)(C[6a]C[6a]2)	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CH3)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]Si[5])(H)	C[5](Si[5]C[5,6a]CC)(C[5]C[5,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CH3)2{2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]Si[5])(H){1|H<1>,2|C<4>,4|C<3>}	107.8805	0.314	4	107.8805	0.099	4	107.8805	0.099	4	107.3136	1.681	5	108.1640	10.343	103	109.0369	35.677	146
818	562	818	5:SP2_SP2_SP3	C[5]	Si[5]	C[5]	4:3:3:	3:4:4:4:	3:4:1:	Si[5]-4:C[6a]-3:C[5]-3:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-3:C[5]-4:H-1:	C[5](Si[5]C[5]CC)(C[6a]C[6a]2)(C[5]C[5]H)	Si[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C[5](C[5]C[6a]Si[5])(C[5]C[5]HO)(H)	C[5](Si[5]C[5]CC)(C[6a]C[6a]2)(C[5]C[5]H){1|O<2>,2|C<3>,5|H<1>}	Si[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]Si[5])(C[5]C[5]HO)(H){2|C<3>,2|C<4>,2|H<1>}	109.2410	0.000	1	109.2410	0.000	1	109.2410	0.000	1	109.2410	0.000	1	108.1640	10.343	103	109.0369	35.677	146
818	562	818	5:SP2_SP2_SP3	C[5]	Si[5]	C[5]	4:3:3:	4:3:3:2:	3:3:3:	Si[5]-4:C[5]-3:C[6a]-3:	C[6,6]-4:C[5]-3:C[5]-3:O-2:	C[5]-3:C[5]-3:C[6a]-3:	C[5](Si[5]C[6,6]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2)	Si[5](C[6,6]C[3x6]2H)(C[5]C[6a]C[5])2(OH)	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](Si[5]C[6,6]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2){2|C<4>,3|H<1>,6|C<3>}	Si[5](C[6,6]C[3x6]2H)(C[5]C[6a]C[5])2(OH){2|H<1>,4|C<4>,6|C<3>}	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,1|O<2>,2|H<1>,7|C<3>}	107.5780	0.209	2	107.5780	0.044	2	107.5780	0.044	2	107.5780	0.044	2	108.1640	10.343	103	109.0369	35.677	146
818	562	818	5:SP2_SP2_SP3	C[5]	Si[5]	C[5]	4:3:3:	4:3:3:3:	3:3:3:	Si[5]-4:C[5]-3:C[6a]-3:	C[5]-4:C[5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](Si[5]C[6a]C[5]2)(C[5]C[6a]C[5])(C[6a]C[6a]2)	Si[5](C[5]C[5,6a]2H)(C[5]C[6a]C[5])2(C[6a]C[6a]2)	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](Si[5]C[6a]C[5]2)(C[5]C[6a]C[5])(C[6a]C[6a]2){10|C<3>,3|H<1>}	Si[5](C[5]C[5,6a]2H)(C[5]C[6a]C[5])2(C[6a]C[6a]2){12|C<3>,2|H<1>}	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,2|H<1>,8|C<3>}	107.0550	0.061	2	107.0550	0.004	2	107.0550	0.004	2	107.0550	0.004	2	108.1640	10.343	103	109.0369	35.677	146
818	562	818	5:SP2_SP2_SP3	C[5]	Si[5]	C[5]	4:3:3:	4:4:3:3:	3:3:3:	Si[5]-4:C[5]-3:C[6a]-3:	C[6,6]-4:C[6,6]-4:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](Si[5]C[6,6]2C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	Si[5](C[6,6]C[3x6]2O)2(C[5]C[6a]C[5])2	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](Si[5]C[6,6]2C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,2|O<2>,4|C<4>,6|C<3>}	Si[5](C[6,6]C[3x6]2O)2(C[5]C[6a]C[5])2{4|H<1>,6|C<3>,8|C<4>}	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|C<4>,2|H<1>,7|C<3>}	107.6115	0.088	2	107.6115	0.008	2	107.6115	0.008	2	107.6115	0.008	2	108.1640	10.343	103	109.0369	35.677	146
818	562	818	5:SP2_SP2_SP3	C[5]	Si[5]	C[5]	4:3:4:	3:3:3:3:	3:3:1:	Si[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](Si[5]C[5,6a]C[6a]2)(C[5]C[5,6a]H)(CH3)	Si[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]Si[5]C)(H)	C[5](Si[5]C[5,6a]C[6a]2)(C[5]C[5,6a]H)(CH3){6|C<3>}	Si[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]C[5]C){6|C<3>,6|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]Si[5]C)(H){1|H<1>,4|C<3>}	107.8280	0.256	2	107.8280	0.066	2	107.8280	0.066	2	107.8280	0.066	2	108.1640	10.343	103	109.0369	35.677	146
818	562	818	5:SP2_SP2_SP3	C[5]	Si[5]	C[5]	4:3:4:	3:3:4:4:	3:3:4:	Si[5]-4:C[5]-3:C-4:	Si[5]-3:C[5]-3:C-4:Si-4:	Si[5]-3:C[5]-3:C-4:	C[5](Si[5]Si[5]SiC)(C[5]Si[5]C)(CCHH)	Si[5](Si[5]Si[5]Si)(C[5]C[5]C)(CSiHH)(SiC3)	C[5](Si[5]Si[5]Si)(C[5]Si[5]C)(CCHH)	C[5](Si[5]Si[5]SiC)(C[5]Si[5]C)(CCHH){2|Si<4>}	Si[5](Si[5]Si[5]Si)(C[5]C[5]C)(CSiHH)(SiC3){1|Si<4>,1|C<4>}	C[5](Si[5]Si[5]Si)(C[5]Si[5]C)(CCHH){2|Si<4>,1|C<4>}	120.4710	0.000	1	120.4710	0.000	1	120.4710	0.000	1	113.7725	89.740	2	108.1640	10.343	103	109.0369	35.677	146
818	562	818	5:SP2_SP2_SP3	C[5]	Si[5]	C[5]	4:3:4:	3:3:4:4:	3:3:4:	Si[5]-4:C[5]-3:Si-4:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-3:C[5]-3:Si-4:	C[5](Si[5]C[5]CC)(C[5]C[5]Si)(SiC3)	Si[5](C[5]C[5]Si)(C[5]C[5]B)(CH3)2	C[5](C[5]Si[5]Si)(C[5]C[5]H)(SiC3)	C[5](Si[5]C[5]CC)(C[5]C[5]Si)(SiC3){1|B<3>,1|H<1>}	Si[5](C[5]C[5]Si)(C[5]C[5]B)(CH3)2{1|Si<4>,1|H<1>}	C[5](C[5]Si[5]Si)(C[5]C[5]H)(SiC3){1|B<3>,2|C<4>}	107.0740	0.000	1	107.0740	0.000	1	107.0740	0.000	1	113.7725	89.740	2	108.1640	10.343	103	109.0369	35.677	146
818	562	818	5:SP2_SP2_SP3	C[5]	Si[5]	C[5]	4:3:4:	4:3:3:2:	3:4:1:	Si[5]-4:C[5]-3:Si-4:	C[5]-4:C[5]-3:C[3]-3:O-2:	C[5]-3:C[5]-4:H-1:	C[5](Si[5]C[3]C[5]O)(C[5]C[5]H)(SiC3)	Si[5](C[5]C[5]Si2)(C[5]C[5]Si)(C[3]C[3]2)(OSi)	C[5](C[5]Si[5]Si)(C[5]C[5]HH)(H)	C[5](Si[5]C[3]C[5]O)(C[5]C[5]H)(SiC3){2|Si<4>,1|C<3>,1|C<4>,2|H<1>}	Si[5](C[5]C[5]Si2)(C[5]C[5]Si)(C[3]C[3]2)(OSi){2|C<3>,4|H<1>}	C[5](C[5]Si[5]Si)(C[5]C[5]HH)(H){2|Si<4>,1|C<3>,1|O<2>}	106.3460	0.000	1	106.3460	0.000	1	106.3460	0.000	1	106.3460	0.000	1	108.1640	10.343	103	109.0369	35.677	146
818	562	818	6:SP2_SP2_SP3	C[5,6]	Si[5,5,6]	C[5,6]	4:3:4:	2:3:3:4:	4:3:4:	Si[5,5,6]-4:C[5,6]-3:Si-4:	O[5,5]-2:C[5,6]-3:C[5,6]-3:C-4:	Si[5,5,6]-4:C[5,6]-3:Si-4:	C[5,6](Si[5,5,6]C[5,6]O[5,5]C)(C[5,6]Si[5,5,6]Si)(SiC3)	Si[5,5,6](O[5,5]Si[5,5,6])(C[5,6]C[5,6]Si)2(CH3)	C[5,6](Si[5,5,6]C[5,6]O[5,5]C)(C[5,6]Si[5,5,6]Si)(SiC3)	C[5,6](Si[5,5,6]C[5,6]O[5,5]C)(C[5,6]Si[5,5,6]Si)(SiC3){1|Si<4>,1|C<3>,1|C<4>}	Si[5,5,6](O[5,5]Si[5,5,6])(C[5,6]C[5,6]Si)2(CH3){2|Si<4>,1|C<4>}	C[5,6](Si[5,5,6]C[5,6]O[5,5]C)(C[5,6]Si[5,5,6]Si)(SiC3){1|Si<4>,1|C<3>,1|C<4>}	107.3350	0.687	4	107.3350	0.473	4	107.3350	0.473	4	107.3350	0.473	4	107.3350	0.473	4	107.3350	0.473	4
818	562	880	0:SP2_SP3_SP3	C[5,6]	Si[5,5,6]	Si	4:3:4:	2:3:3:4:	3:4:4:4:	Si[5,5,6]-4:C[5,6]-3:Si-4:	O[5,5]-2:C[5,6]-3:C[5,6]-3:C-4:	C[5,6]-3:C-4:C-4:C-4:	C[5,6](Si[5,5,6]C[5,6]O[5,5]C)(C[5,6]Si[5,5,6]Si)(SiC3)	Si[5,5,6](O[5,5]Si[5,5,6])(C[5,6]C[5,6]Si)2(CH3)	Si(C[5,6]Si[5,5,6]C[5,6])(CH3)3	C[5,6](Si[5,5,6]C[5,6]O[5,5]C)(C[5,6]Si[5,5,6]Si)(SiC3){1|Si<4>,1|C<3>,1|C<4>}	Si[5,5,6](O[5,5]Si[5,5,6])(C[5,6]C[5,6]Si)2(CH3){2|Si<4>,1|C<4>}	Si(C[5,6]Si[5,5,6]C[5,6])(CH3)3	121.8690	4.479	4	121.8690	20.064	4	121.8690	20.064	4	121.8690	20.064	4	121.8690	20.064	4	123.9879	17.602	8
818	562	880	0:SP2_SP3_SP3	C[5]	Si[5]	Si	3:4:4:	3:3:4:4:	3:4:4:4:	C[5]-3:Si[5]-4:Si-4:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-3:C-4:C-4:C-4:	C[5](C[5]C[6a]C[5])(Si[5]C[5]CC)(SiC3)	Si[5](C[5]C[5]Si)(C[5]C[5]C)(CH3)2	Si(C[5]Si[5]C[5])(CH3)3	C[5](C[5]C[6a]C[5])(Si[5]C[5]CC)(SiC3){1|C<4>,3|C<3>}	Si[5](C[5]C[5]Si)(C[5]C[5]C)(CH3)2{2|C<3>}	Si(C[5]Si[5]C[5])(CH3)3	127.5200	0.000	1	127.5200	0.000	1	126.6680	1.452	2	126.6680	1.452	2	126.1068	9.036	4	123.9879	17.602	8
818	562	880	0:SP2_SP3_SP3	C[5]	Si[5]	Si	3:4:4:	3:3:4:4:	3:4:4:4:	C[5]-3:Si[5]-4:Si-4:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-3:C-4:C-4:C-4:	C[5](C[5]C[6a]C[5])(Si[5]C[5]CC)(SiC3)	Si[5](C[5]C[5]Si)(C[5]C[5]I)(CH3)2	Si(C[5]Si[5]C[5])(CH3)3	C[5](C[5]C[6a]C[5])(Si[5]C[5]CC)(SiC3){1|I<1>,3|C<3>}	Si[5](C[5]C[5]Si)(C[5]C[5]I)(CH3)2{2|C<3>}	Si(C[5]Si[5]C[5])(CH3)3	125.8160	0.000	1	125.8160	0.000	1	126.6680	1.452	2	126.6680	1.452	2	126.1068	9.036	4	123.9879	17.602	8
818	562	880	0:SP2_SP3_SP3	C[5]	Si[5]	Si	4:3:4:	3:3:4:4:	3:4:4:4:	Si[5]-4:C[5]-3:Si-4:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-3:C-4:C-4:C-4:	C[5](Si[5]C[5]CC)(C[5]C[5]Si)(SiC3)	Si[5](C[5]C[5]Si)(C[5]C[5]B)(CH3)2	Si(C[5]Si[5]C[5])(CH3)3	C[5](Si[5]C[5]CC)(C[5]C[5]Si)(SiC3){1|B<3>,1|H<1>}	Si[5](C[5]C[5]Si)(C[5]C[5]B)(CH3)2{1|Si<4>,1|H<1>}	Si(C[5]Si[5]C[5])(CH3)3	122.0530	0.000	1	122.0530	0.000	1	122.0530	0.000	1	122.0530	0.000	1	126.1068	9.036	4	123.9879	17.602	8
818	562	880	0:SP2_SP3_SP3	C[5]	Si[5]	Si	4:3:4:	4:3:3:2:	3:4:4:4:	Si[5]-4:C[5]-3:Si-4:	C[5]-4:C[5]-3:C[3]-3:O-2:	C[5]-3:C-4:C-4:C-4:	C[5](Si[5]C[3]C[5]O)(C[5]C[5]H)(SiC3)	Si[5](C[5]C[5]Si2)(C[5]C[5]Si)(C[3]C[3]2)(OSi)	Si(C[5]Si[5]C[5])(CH3)3	C[5](Si[5]C[3]C[5]O)(C[5]C[5]H)(SiC3){2|Si<4>,1|C<3>,1|C<4>,2|H<1>}	Si[5](C[5]C[5]Si2)(C[5]C[5]Si)(C[3]C[3]2)(OSi){2|C<3>,4|H<1>}	Si(C[5]Si[5]C[5])(CH3)3	129.0380	0.000	1	129.0380	0.000	1	129.0380	0.000	1	129.0380	0.000	1	126.1068	9.036	4	123.9879	17.602	8
818	562	909	0:SP2_SP2_SP3	C[5]	Si[5]	S	4:3:2:	3:3:4:4:	3:2:	Si[5]-4:C[5]-3:S-2:	C[5,5a]-3:C[5]-3:C-4:C-4:	C[5]-3:S-2:	C[5](Si[5]C[5,5a]CC)(C[5]C[5,5a]C)(SS)	Si[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]S)(CH3)2	S(C[5]Si[5]C[5])(SC[5])	C[5](Si[5]C[5,5a]CC)(C[5]C[5,5a]C)(SS){2|C<3>}	Si[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]S)(CH3)2{1|Si<4>,1|C<2>,1|C<3>,1|S<2>}	S(C[5]Si[5]C[5])(SC[5])	130.0040	0.000	1	130.0040	0.000	1	130.0040	0.000	1	130.0040	0.000	1	130.0040	0.000	1	130.0040	0.000	1
818	562	930	0:SP2_SP2_SP3	C[5]	Si[5]	C	3:4:3:	3:3:4:4:	3:3:1:	C[5]-3:Si[5]-4:C-3:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-3:C-3:H-1:	C[5](C[5]C[6a]C[5])(Si[5]C[5]CC)(CCH)	Si[5](C[5]C[5]C)2(CH3)2	C(C[5]Si[5]C[5])(CC[6a]2)(H)	C[5](C[5]C[6a]C[5])(Si[5]C[5]CC)(CCH){4|C<3>}	Si[5](C[5]C[5]C)2(CH3)2{2|C<3>}	C(C[5]Si[5]C[5])(CC[6a]2)(H)	127.9665	2.094	2	127.9665	4.384	2	127.9665	4.384	2	127.9665	4.384	2	126.0658	13.143	12	126.0658	13.143	12
818	562	930	0:SP2_SP2_SP3	C[5]	Si[5]	C	3:4:3:	3:3:4:4:	3:3:4:	C[5,6a]-3:Si[5]-4:C-3:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-3:C[6a]-3:C-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(Si[5]C[5,6a]CC)(CC[6a]C)	Si[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C)(CH3)2	C(C[5]C[5,6a]Si[5])(C[6a]C[6a]2)(CH3)	C[5](C[5,6a]C[5,6a,6a]C[6a])(Si[5]C[5,6a]CC)(CC[6a]C){1|H<1>,3|C<3>}	Si[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C)(CH3)2{1|H<1>,3|C<3>}	C(C[5]C[5,6a]Si[5])(C[6a]C[6a]2)(CH3)	125.3860	0.000	1	125.3860	0.000	1	125.3860	0.000	1	125.3860	0.000	1	126.0658	13.143	12	126.0658	13.143	12
818	562	930	0:SP2_SP2_SP3	C[5]	Si[5]	C	3:4:3:	3:3:4:4:	3:4:2:	C[5,6a]-3:Si[5]-4:C-3:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-3:C-4:C-2:	C[5](C[5,6a]C[5,6a,6a]C[6a])(Si[5]C[5,6a]CC)(CCC)	Si[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C)(CH3)2	C(C[5]C[5,6a]Si[5])(CH3)(CC)	C[5](C[5,6a]C[5,6a,6a]C[6a])(Si[5]C[5,6a]CC)(CCC){1|H<1>,3|C<3>}	Si[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C)(CH3)2{1|H<1>,3|C<3>}	C(C[5]C[5,6a]Si[5])(CH3)(CC)	125.2880	0.000	1	125.2880	0.000	1	125.2880	0.000	1	125.2880	0.000	1	126.0658	13.143	12	126.0658	13.143	12
818	562	930	0:SP2_SP2_SP3	C[5]	Si[5]	C	4:4:3:	3:2:4:4:	3:3:1:	C[5,6]-4:Si[5]-4:C-3:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-3:C-3:H-1:	C[5](C[5,6]C[5]C[6]2)(Si[5]O[5]CC)(CCH)	Si[5](C[5]C[5,6]C)(O[5]C[5])(CCCH)2	C(C[5]C[5,6]Si[5])(CCC)(H)	C[5](C[5,6]C[5]C[6]2)(Si[5]O[5]CC)(CCH){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	Si[5](C[5]C[5,6]C)(O[5]C[5])(CCCH)2{2|C<3>,2|H<1>}	C(C[5]C[5,6]Si[5])(CCC)(H)	125.9050	0.000	1	125.9050	0.000	1	125.9050	0.000	1	125.9050	0.000	1	126.0658	13.143	12	126.0658	13.143	12
818	562	930	0:SP2_SP2_SP3	C[5]	Si[5]	C	4:4:3:	3:2:4:4:	3:4:1:	P[5]-4:Si[5]-4:C-3:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-3:B-4:H-1:	C[5](P[5]C[6a]2C[5])(Si[5]O[5]CC)(CBH)	Si[5](C[5]P[5]C)(O[5]C[5])(CH3)2	C(C[5]Si[5]P[5])(BC[6a]3)(H)	C[5](P[5]C[6a]2C[5])(Si[5]O[5]CC)(CBH){1|C<4>,5|C<3>}	Si[5](C[5]P[5]C)(O[5]C[5])(CH3)2{1|C<4>,3|C<3>}	C(C[5]Si[5]P[5])(BC[6a]3)(H)	135.8800	0.000	1	135.8800	0.000	1	135.8800	0.000	1	135.8800	0.000	1	126.0658	13.143	12	126.0658	13.143	12
818	562	930	0:SP2_SP2_SP3	C[5]	Si[5]	C	4:4:3:	3:3:4:4:	3:1:1:	Si[5]-4:Si[5]-4:C-3:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-3:H-1:H-1:	C[5](Si[5]C[5,6a]CC)2(CHH)	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]Si[5]C)(CH3)2	C(C[5]Si[5]2)(H)2	C[5](Si[5]C[5,6a]CC)2(CHH){2|C<3>}	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]Si[5]C)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	C(C[5]Si[5]2)(H)2	124.9393	0.832	4	124.9393	0.692	4	124.9393	0.692	4	124.9393	0.692	4	126.0658	13.143	12	126.0658	13.143	12
818	562	930	0:SP2_SP2_SP3	C[5]	Si[5]	C	4:4:3:	4:3:4:2:	3:4:1:	C[5]-4:Si[5]-4:C-3:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-3:C-4:H-1:	C[5](C[5]C[5]SiH)(Si[5]C[5]CO)(CCH)	Si[5](C[5]C[5]SiH)(C[5]C[5]C)(CH3)(OC)	C(C[5]Si[5]C[5])(CSi2H)(H)	C[5](C[5]C[5]SiH)(Si[5]C[5]CO)(CCH){2|Si<4>,2|H<1>}	Si[5](C[5]C[5]SiH)(C[5]C[5]C)(CH3)(OC){2|Si<4>,2|H<1>}	C(C[5]Si[5]C[5])(CSi2H)(H)	122.3205	0.585	2	122.3205	0.342	2	122.3205	0.342	2	122.3205	0.342	2	126.0658	13.143	12	126.0658	13.143	12
818	562	941	0:SP2_SP2_SP3	C[5]	Si[5,5]	N	4:4:2:	4:4:3:4:	3:3:	Si[5,5]-4:C[5,6]-4:N-2:	Si[5]-4:C[5]-4:C[5]-3:C[5]-4:	C[5]-3:C[6a]-3:	C[5](Si[5,5]Si[5]C[5]2)(C[5,6]C[5]C[6]2)(NC[6a])	Si[5,5](Si[5]C[5,6a]C[5]H)(C[5]C[5,6a]CC)(C[5]C[5,6]N)(C[5]C[5]CC)	N(C[5]Si[5,5]C[5,6])(C[6a]C[6a]2)	C[5](Si[5,5]Si[5]C[5]2)(C[5,6]C[5]C[6]2)(NC[6a]){3|C<3>,6|C<4>,7|H<1>}	Si[5,5](Si[5]C[5,6a]C[5]H)(C[5]C[5,6a]CC)(C[5]C[5,6]N)(C[5]C[5]CC){1|N<2>,2|C<3>,2|H<1>,3|C<4>}	N(C[5]Si[5,5]C[5,6])(C[6a]C[6a]2)	136.5520	0.000	1	136.5520	0.000	1	136.5520	0.000	1	136.5520	0.000	1	136.5520	0.000	1	136.5520	0.000	1
818	562	944	0:SP2_SP-NON_SP3	C[5]	Si[5]	I	3:4:1:	3:3:4:4:	3:	C[5]-3:Si[5]-4:I-1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-3:	C[5](C[5]C[6a]C[5])(Si[5]C[5]CC)(I)	Si[5](C[5]C[5]Si)(C[5]C[5]I)(CH3)2	I(C[5]Si[5]C[5])	C[5](C[5]C[6a]C[5])(Si[5]C[5]CC)(I){1|Si<4>,3|C<3>}	Si[5](C[5]C[5]Si)(C[5]C[5]I)(CH3)2{2|C<3>}	I(C[5]Si[5]C[5])	124.9170	0.000	1	124.9170	0.000	1	124.9170	0.000	1	124.9170	0.000	1	124.9170	0.000	1	124.9170	0.000	1
818	562	951	0:SP2_SP-NON_SP3	C[5]	Si[5]	H	4:3:1:	3:3:3:3:	3:	Si[5]-4:C[5]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](Si[5]C[6a]2C[5])(C[5]C[6a]C[5])(H)	Si[5](C[5]C[6a]C[5])(C[6a]C[6a]2)2(C[5]C[5]H)	H(C[5]Si[5]C[5])	C[5](Si[5]C[6a]2C[5])(C[5]C[6a]C[5])(H){8|C<3>}	Si[5](C[5]C[6a]C[5])(C[6a]C[6a]2)2(C[5]C[5]H){4|H<1>,8|C<3>}	H(C[5]Si[5]C[5])	125.5890	0.000	1	125.5890	0.000	1	125.5890	0.000	1	125.4497	0.015	3	124.2050	13.379	6	124.2050	13.379	6
818	562	951	0:SP2_SP-NON_SP3	C[5]	Si[5]	H	4:3:1:	3:3:3:3:	3:	Si[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:	C[5](Si[5]C[6a]2C[5])(C[5]C[6a]C[5])(H)	Si[5](C[6a]C[6a]2)2(C[5]C[5]H)2	H(C[5]Si[5]C[5])	C[5](Si[5]C[6a]2C[5])(C[5]C[6a]C[5])(H){1|H<1>,7|C<3>}	Si[5](C[6a]C[6a]2)2(C[5]C[5]H)2{4|H<1>,6|C<3>}	H(C[5]Si[5]C[5])	125.3800	0.027	2	125.3800	0.001	2	125.3800	0.001	2	125.4497	0.015	3	124.2050	13.379	6	124.2050	13.379	6
818	562	951	0:SP2_SP-NON_SP3	C[5]	Si[5]	H	4:3:1:	3:3:3:4:	3:	Si[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-3:	C[5](Si[5]C[5,6a]C[6a]C)(C[5]C[5,6a]O)(H)	Si[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)(CC3)	H(C[5]Si[5]C[5])	C[5](Si[5]C[5,6a]C[6a]C)(C[5]C[5,6a]O)(H){4|C<3>}	Si[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)(CC3){1|O<2>,3|H<1>,4|C<3>}	H(C[5]Si[5]C[5])	126.0575	0.124	2	126.0575	0.015	2	126.0575	0.015	2	126.0575	0.015	2	124.2050	13.379	6	124.2050	13.379	6
818	562	951	0:SP2_SP-NON_SP3	C[5]	Si[5]	H	4:3:1:	4:3:4:4:	3:	Si[5]-4:C[5]-3:H-1:	Si[5]-4:C[5]-3:Si-4:Si-4:	C[5]-3:	C[5](Si[5]Si[5]Si2)(C[5]Ge[5,5]Si)(H)	Si[5](Si[5]Ge[5,5]CC)(C[5]C[5]H)(SiC3)2	H(C[5]Si[5]C[5])	C[5](Si[5]Si[5]Si2)(C[5]Ge[5,5]Si)(H){1|Si<4>,1|C<3>,2|C<4>}	Si[5](Si[5]Ge[5,5]CC)(C[5]C[5]H)(SiC3)2{2|Si<4>,1|C<3>}	H(C[5]Si[5]C[5])	116.7660	0.000	1	116.7660	0.000	1	116.7660	0.000	1	116.7660	0.000	1	124.2050	13.379	6	124.2050	13.379	6
818	562	955	5:SP2_SP3_SP3	C[5]	Si[5]	P[5]	4:4:3:	3:2:4:4:	4:3:3:3:	P[5]-4:Si[5]-4:C-3:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C[6a]-3:C[6a]-3:C[5]-3:	C[5](P[5]C[6a]2C[5])(Si[5]O[5]CC)(CBH)	Si[5](C[5]P[5]C)(O[5]C[5])(CH3)2	P[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)2(C[5]Si[5]C)	C[5](P[5]C[6a]2C[5])(Si[5]O[5]CC)(CBH){1|C<4>,5|C<3>}	Si[5](C[5]P[5]C)(O[5]C[5])(CH3)2{1|C<4>,3|C<3>}	P[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)2(C[5]Si[5]C){2|C<4>,4|H<1>,6|C<3>}	104.2120	0.000	1	104.2120	0.000	1	104.2120	0.000	1	104.2120	0.000	1	104.2120	0.000	1	104.2120	0.000	1
818	562	956	0:SP2_SP2_SP3	C[5]	Si[5]	N	4:3:3:	3:3:2:3:	3:4:4:	Si[5]-4:C[5]-3:N-3:	N[5]-3:C[5]-3:N-2:N-3:	C[5]-3:C-4:C-4:	C[5](Si[5]N[5]NN)(C[5]C[5]H)(NCC)	Si[5](N[5]C[6a]C[5])(C[5]C[5]N)(NC[6a])(NSi2)	N(C[5]Si[5]C[5])(CH3)2	C[5](Si[5]N[5]NN)(C[5]C[5]H)(NCC){1|C<3>,1|N<3>}	Si[5](N[5]C[6a]C[5])(C[5]C[5]N)(NC[6a])(NSi2){1|H<1>,1|N<3>,2|C<3>}	N(C[5]Si[5]C[5])(CH3)2	128.5630	0.000	1	128.5630	0.000	1	128.5630	0.000	1	128.4070	0.049	2	127.7077	1.492	3	127.7077	1.492	3
818	562	956	0:SP2_SP2_SP3	C[5]	Si[5]	N	4:3:3:	3:3:2:3:	3:4:4:	Si[5]-4:C[5]-3:N-3:	N[5]-3:C[5]-3:N-2:P-3:	C[5]-3:C-4:C-4:	C[5](Si[5]N[5]NP)(C[5]C[5]H)(NCC)	Si[5](N[5]C[6a]C[5])(C[5]C[5]N)(NC[6a])(PSi2)	N(C[5]Si[5]C[5])(CH3)2	C[5](Si[5]N[5]NP)(C[5]C[5]H)(NCC){1|C<3>,1|N<3>}	Si[5](N[5]C[6a]C[5])(C[5]C[5]N)(NC[6a])(PSi2){1|H<1>,1|N<3>,2|C<3>}	N(C[5]Si[5]C[5])(CH3)2	128.2510	0.000	1	128.2510	0.000	1	128.2510	0.000	1	128.4070	0.049	2	127.7077	1.492	3	127.7077	1.492	3
818	562	956	0:SP2_SP2_SP3	C[5]	Si[5]	N	4:3:3:	3:3:2:4:	3:4:4:	Si[5]-4:C[5]-3:N-3:	N[5]-3:C[5]-3:N-2:Si-4:	C[5]-3:C-4:C-4:	C[5](Si[5]N[5]SiN)(C[5]C[5]H)(NCC)	Si[5](N[5]C[6a]C[5])(C[5]C[5]N)(NC[6a])(SiSi3)	N(C[5]Si[5]C[5])(CH3)2	C[5](Si[5]N[5]SiN)(C[5]C[5]H)(NCC){1|C<3>,1|N<3>}	Si[5](N[5]C[6a]C[5])(C[5]C[5]N)(NC[6a])(SiSi3){1|H<1>,1|N<3>,2|C<3>}	N(C[5]Si[5]C[5])(CH3)2	126.3090	0.000	1	126.3090	0.000	1	126.3090	0.000	1	126.3090	0.000	1	127.7077	1.492	3	127.7077	1.492	3
818	562	960	0:SP2_SP2_SP3	C[5]	Si[5]	N[5]	4:4:2:	3:3:4:1:	3:4:	Si[5]-4:C[5,6]-4:N[5]-2:	C[5,6a]-3:C[5]-3:Si[5,5]-4:H-1:	C[5]-3:C[5]-4:	C[5](Si[5]C[5,6a]Si[5,5]H)(C[5,6]C[5]C[6]2)(N[5]C[5])	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]N[5])(Si[5,5]C[5]3)(H)	N[5](C[5]C[5,6]Si[5])(C[5]C[5]CC)	C[5](Si[5]C[5,6a]Si[5,5]H)(C[5,6]C[5]C[6]2)(N[5]C[5]){3|C<3>,6|C<4>,6|H<1>}	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]N[5])(Si[5,5]C[5]3)(H){11|C<4>,1|N<2>,2|C<3>}	N[5](C[5]C[5,6]Si[5])(C[5]C[5]CC){1|Si<4>,1|C<3>,2|C<4>,3|H<1>}	118.1570	0.000	1	118.1570	0.000	1	118.1570	0.000	1	118.1570	0.000	1	118.1570	0.000	1	118.1570	0.000	1
818	562	960	5:SP2_SP2_SP3	C[5]	Si[5,5]	N[5]	4:3:2:	3:4:4:2:	3:3:	Si[5,5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[5]-4:C[5]-4:N[5]-2:	C[5]-3:C[5]-3:	C[5](Si[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]C[5])	Si[5,5](C[5]C[6a]N[5])(C[5]C[5]Si2)2(N[5]C[5])	N[5](C[5]Si[5,5]C[6a])(C[5]C[6a]N[5])	C[5](Si[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]C[5]){4|Si<4>,2|C<4>,2|H<1>,3|C<3>}	Si[5,5](C[5]C[6a]N[5])(C[5]C[5]Si2)2(N[5]C[5]){3|C<3>,4|H<1>}	N[5](C[5]Si[5,5]C[6a])(C[5]C[6a]N[5]){2|C<4>,4|C<3>}	107.6500	0.000	1	107.6500	0.000	1	107.6500	0.000	1	107.6500	0.000	1	107.6500	0.000	1	107.6500	0.000	1
818	598	818	0:SP2_SP2_SP2	C[5]	Si[4]	C[5]	3:3:3:	3:3:3:	3:3:1:	Si[4]-3:C[5]-3:N[5]-3:	N[4]-3:N[4]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](Si[4]N[4]2)(C[5]N[5]H)(N[5]C[5]C)	Si[4](N[4]C[6a]Si[4])2(C[5]C[5]N[5])	C[5](C[5]Si[4]N[5])(N[5]C[5]C)(H)	C[5](Si[4]N[4]2)(C[5]N[5]H)(N[5]C[5]C){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	Si[4](N[4]C[6a]Si[4])2(C[5]C[5]N[5]){1|H<1>,1|N<3>,3|C<4>,5|C<3>}	C[5](C[5]Si[4]N[5])(N[5]C[5]C)(H){1|C<4>,1|H<1>,2|N<3>}	122.1260	0.157	2	122.1260	0.025	2	122.1260	0.025	2	122.1260	0.025	2	122.1260	0.025	2	122.1260	0.025	2
818	606	643	0:SP2_SP2_SP3	C[5]	Ge[5]	C[6a]	3:4:3:	3:3:2:2:	3:3:3:	C[5]-3:Ge[5]-4:C[6a]-3:	C[5]-3:C[5]-3:C-2:C-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]C[5])(Ge[5]C[5]CC)(C[6a]C[6a]2)	Ge[5](C[5]C[6a]C[5])2(CC)2	C[6a](C[5]Ge[5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5])(Ge[5]C[5]CC)(C[6a]C[6a]2){2|H<1>,6|C<3>}	Ge[5](C[5]C[6a]C[5])2(CC)2{6|C<3>}	C[6a](C[5]Ge[5]C[5])(C[6a]C[6a]H)2{2|C<2>,2|H<1>,4|C<3>}	123.8488	1.141	11	123.8488	1.302	11	123.8488	1.302	11	123.8488	1.302	11	123.1563	6.938	12	123.1563	6.938	12
818	606	643	0:SP2_SP2_SP3	C[5]	Ge[5]	C[6a]	4:3:3:	3:4:4:4:	3:3:3:	Ge[5]-4:C[6a]-3:C[5]-3:	C[5]-3:Ge[5]-4:C-4:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](Ge[5]Ge[5]CC)(C[6a]C[6a]2)(C[5]Ge[5]H)	Ge[5](C[5]C[6a]C[5])(Ge[5]Ge[5]CC)(CH3)2	C[6a](C[5]Ge[5]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](Ge[5]Ge[5]CC)(C[6a]C[6a]2)(C[5]Ge[5]H){1|C<2>,1|H<1>,2|C<3>,4|C<4>}	Ge[5](C[5]C[6a]C[5])(Ge[5]Ge[5]CC)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5]Ge[5]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H){2|Ge<4>,1|C<3>,2|C<4>,3|H<1>}	115.5390	0.000	1	115.5390	0.000	1	115.5390	0.000	1	115.5390	0.000	1	123.1563	6.938	12	123.1563	6.938	12
818	606	762	0:SP2_SP2_SP3	C[5,6]	Ge[5]	C[6]	3:4:3:	3:2:4:4:	3:4:1:	C[5,6]-3:Ge[5]-4:C[6]-3:	C[5,6]-3:O[5]-2:C-4:C-4:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6])(Ge[5]O[5]CC)(C[6]C[6]H)	Ge[5](C[5,6]C[5,6]C[6])(O[5]C[5])(CSi2H)2	C[6](C[5,6]C[5,6]Ge[5])(C[6]C[6]DH)(H)	C[5,6](C[5,6]C[5]C[6])(Ge[5]O[5]CC)(C[6]C[6]H){1|C<3>,1|C<4>,2|D<1>,2|H<1>}	Ge[5](C[5,6]C[5,6]C[6])(O[5]C[5])(CSi2H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]Ge[5])(C[6]C[6]DH)(H){1|C<3>,1|D<1>,1|H<1>,1|O<2>,3|C<4>}	132.4840	0.000	1	132.4840	0.000	1	132.4840	0.000	1	132.4840	0.000	1	132.4840	0.000	1	132.4840	0.000	1
818	606	818	5:SP2_SP2_SP3	C[5,6]	Ge[5]	C[5,6]	3:4:3:	3:2:4:4:	3:3:4:	C[5,6]-3:Ge[5]-4:C[6]-3:	C[5,6]-3:O[5]-2:C-4:C-4:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6](C[5,6]C[5]C[6])(Ge[5]O[5]CC)(C[6]C[6]H)	Ge[5](C[5,6]C[5,6]C[6])(O[5]C[5])(CSi2H)2	C[5,6](C[5,6]Ge[5]C[6])(C[5]C[6a]O[5])(C[6]C[6]DH)	C[5,6](C[5,6]C[5]C[6])(Ge[5]O[5]CC)(C[6]C[6]H){1|C<3>,1|C<4>,2|D<1>,2|H<1>}	Ge[5](C[5,6]C[5,6]C[6])(O[5]C[5])(CSi2H)2{1|C<3>,1|H<1>,2|C<4>}	C[5,6](C[5,6]Ge[5]C[6])(C[5]C[6a]O[5])(C[6]C[6]DH){1|D<1>,2|C<3>,2|H<1>,3|C<4>}	105.2680	0.000	1	105.2680	0.000	1	105.2680	0.000	1	105.2680	0.000	1	105.2680	0.000	1	109.3365	45.065	15
818	606	818	5:SP2_SP2_SP3	C[5]	Ge[5,5]	C[5]	4:3:4:	4:4:3:3:	4:3:1:	Ge[5,5]-4:C[5]-3:Si-4:	Si[5]-4:Si[5]-4:C[5]-3:C[5]-3:	Si[5]-4:C[5]-3:H-1:	C[5](Ge[5,5]Si[5]2C[5])(C[5]Si[5]H)(SiC3)	Ge[5,5](Si[5]Si[5]CC)2(C[5]C[5]Si)2	C[5](Si[5]Si[5]Si2)(C[5]Ge[5,5]Si)(H)	C[5](Ge[5,5]Si[5]2C[5])(C[5]Si[5]H)(SiC3){4|Si<4>,1|C<3>,4|C<4>}	Ge[5,5](Si[5]Si[5]CC)2(C[5]C[5]Si)2{4|Si<4>,2|H<1>}	C[5](Si[5]Si[5]Si2)(C[5]Ge[5,5]Si)(H){1|Si<4>,1|C<3>,2|C<4>}	118.3260	0.000	1	118.3260	0.000	1	118.3260	0.000	1	118.3260	0.000	1	118.3260	0.000	1	109.3365	45.065	15
818	606	818	5:SP2_SP2_SP3	C[5]	Ge[5]	C[5]	3:4:1:	4:3:4:4:	4:3:3:	C[5]-3:Ge[5]-4:H-1:	Ge[5]-4:C[5]-3:C-4:C-4:	Ge[5]-4:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]Ge[5])(Ge[5]Ge[5]CC)(H)	Ge[5](Ge[5]Ge[5]CC)(C[5]C[5]H)(CH3)2	C[5](Ge[5]Ge[5]CC)(C[6a]C[6a]2)(C[5]Ge[5]H)	C[5](C[5]C[6a]Ge[5])(Ge[5]Ge[5]CC)(H){2|C<3>,4|C<4>}	Ge[5](Ge[5]Ge[5]CC)(C[5]C[5]H)(CH3)2{1|C<3>,2|C<4>}	C[5](Ge[5]Ge[5]CC)(C[6a]C[6a]2)(C[5]Ge[5]H){1|C<2>,1|H<1>,2|C<3>,4|C<4>}	125.3500	0.000	1	125.3500	0.000	1	125.3500	0.000	1	125.3500	0.000	1	108.9579	44.307	13	109.3365	45.065	15
818	606	818	5:SP2_SP2_SP3	C[5]	Ge[5]	C[5]	3:4:3:	3:3:2:2:	3:3:3:	C[5]-3:Ge[5]-4:C[6a]-3:	C[5]-3:C[5]-3:C-2:C-2:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]C[5])(Ge[5]C[5]CC)(C[6a]C[6a]2)	Ge[5](C[5]C[6a]C[5])2(CC)2	C[5](C[5]C[6a]Ge[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(Ge[5]C[5]CC)(C[6a]C[6a]2){2|H<1>,6|C<3>}	Ge[5](C[5]C[6a]C[5])2(CC)2{6|C<3>}	C[5](C[5]C[6a]Ge[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|C<2>,2|H<1>,7|C<3>}	106.2467	0.417	11	106.2467	0.174	11	106.2467	0.174	11	106.2467	0.174	11	108.9579	44.307	13	109.3365	45.065	15
818	606	818	5:SP2_SP2_SP3	C[5]	Ge[5]	C[5]	4:3:3:	3:4:4:4:	3:4:1:	Ge[5]-4:C[6a]-3:C[5]-3:	C[5]-3:Ge[5]-4:C-4:C-4:	C[5]-3:Ge[5]-4:H-1:	C[5](Ge[5]Ge[5]CC)(C[6a]C[6a]2)(C[5]Ge[5]H)	Ge[5](C[5]C[6a]C[5])(Ge[5]Ge[5]CC)(CH3)2	C[5](C[5]C[6a]Ge[5])(Ge[5]Ge[5]CC)(H)	C[5](Ge[5]Ge[5]CC)(C[6a]C[6a]2)(C[5]Ge[5]H){1|C<2>,1|H<1>,2|C<3>,4|C<4>}	Ge[5](C[5]C[6a]C[5])(Ge[5]Ge[5]CC)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	C[5](C[5]C[6a]Ge[5])(Ge[5]Ge[5]CC)(H){2|C<3>,4|C<4>}	122.3890	0.000	1	122.3890	0.000	1	122.3890	0.000	1	122.3890	0.000	1	108.9579	44.307	13	109.3365	45.065	15
818	606	849	6:SP2_SP3_SP3	C[5,6]	Ge[5,5,6]	P[6]	4:4:4:	4:3:3:3:	3:3:3:2:	Ge[5,5,6]-4:P[6]-4:P[5]-4:	P[6]-4:C[5,6]-3:Ge[5,5]-3:C[5]-3:	C[5,6]-3:C[6a]-3:C[6a]-3:Ge[6]-2:	C[5,6](Ge[5,5,6]Ge[5,5]C[5]P[6])(P[6]C[6a]2Ge[6])(P[5]C[6a]2N[5])	Ge[5,5,6](P[6]C[6a]2C[6])(C[5,6]P[5]P[6])(Ge[5,5]N[5]2)(C[5]P[5]P)	P[6](C[5,6]Ge[5,5,6]P[5])(C[6a]C[6a]2)2(Ge[6]C[6])	C[5,6](Ge[5,5,6]Ge[5,5]C[5]P[6])(P[6]C[6a]2Ge[6])(P[5]C[6a]2N[5]){11|C<3>,1|Si<4>,1|N<3>,1|P<3>,1|P<4>}	Ge[5,5,6](P[6]C[6a]2C[6])(C[5,6]P[5]P[6])(Ge[5,5]N[5]2)(C[5]P[5]P){10|C<3>,1|Ge<2>,2|Si<4>,1|P<4>}	P[6](C[5,6]Ge[5,5,6]P[5])(C[6a]C[6a]2)2(Ge[6]C[6]){1|Ge<3>,1|N<3>,2|P<4>,4|H<1>,7|C<3>}	113.0860	0.000	1	113.0860	0.000	1	113.0860	0.000	1	113.0860	0.000	1	113.0860	0.000	1	113.0860	0.000	1
818	606	880	0:SP2_SP3_SP3	C[5]	Ge[5,5]	Si	4:3:4:	4:4:3:3:	3:4:4:4:	Ge[5,5]-4:C[5]-3:Si-4:	Si[5]-4:Si[5]-4:C[5]-3:C[5]-3:	C[5]-3:C-4:C-4:C-4:	C[5](Ge[5,5]Si[5]2C[5])(C[5]Si[5]H)(SiC3)	Ge[5,5](Si[5]Si[5]CC)2(C[5]C[5]Si)2	Si(C[5]Ge[5,5]C[5])(CH3)3	C[5](Ge[5,5]Si[5]2C[5])(C[5]Si[5]H)(SiC3){4|Si<4>,1|C<3>,4|C<4>}	Ge[5,5](Si[5]Si[5]CC)2(C[5]C[5]Si)2{4|Si<4>,2|H<1>}	Si(C[5]Ge[5,5]C[5])(CH3)3	124.2940	0.000	1	124.2940	0.000	1	124.2940	0.000	1	124.2940	0.000	1	124.2940	0.000	1	124.2940	0.000	1
818	606	945	0:SP2_SP3_SP3	C[5]	Ge[5,5,6]	P	4:4:3:	4:3:3:3:	3:3:3:	Ge[5,5,6]-4:P[5]-4:P-3:	P[6]-4:C[5,6]-3:Ge[5,5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](Ge[5,5,6]Ge[5,5]C[5,6]P[6])(P[5]C[6a]2N[5])(PC[6a]2)	Ge[5,5,6](P[6]C[6a]2C[6])(C[5,6]P[5]P[6])(Ge[5,5]N[5]2)(C[5]P[5]P)	P(C[5]Ge[5,5,6]P[5])(C[6a]C[6a]2)2	C[5](Ge[5,5,6]Ge[5,5]C[5,6]P[6])(P[5]C[6a]2N[5])(PC[6a]2){1|Si<4>,1|N<3>,2|P<4>,7|C<3>}	Ge[5,5,6](P[6]C[6a]2C[6])(C[5,6]P[5]P[6])(Ge[5,5]N[5]2)(C[5]P[5]P){10|C<3>,1|Ge<2>,2|Si<4>,1|P<4>}	P(C[5]Ge[5,5,6]P[5])(C[6a]C[6a]2)2	114.0960	0.000	1	114.0960	0.000	1	114.0960	0.000	1	114.0960	0.000	1	114.0960	0.000	1	113.6210	0.408	3
818	606	945	0:SP2_SP3_SP3	C[5]	Ge[5,5]	P	4:4:3:	3:3:3:4:	3:3:3:	Ge[5,5]-4:P[5]-4:P-3:	Ge[5,5]-3:C[5]-3:C[5]-3:P-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](Ge[5,5]Ge[5,5]C[5]P)(P[5]C[6a]2N[5])(PC[6a]2)	Ge[5,5](Ge[5,5]N[5]2)(C[5]P[5]P)2(PC[6a]2C)	P(C[5]Ge[5,5]P[5])(C[6a]C[6a]2)2	C[5](Ge[5,5]Ge[5,5]C[5]P)(P[5]C[6a]2N[5])(PC[6a]2){1|Si<4>,1|N<3>,1|P<3>,1|P<4>,4|C<3>}	Ge[5,5](Ge[5,5]N[5]2)(C[5]P[5]P)2(PC[6a]2C){2|Si<4>,4|C<3>}	P(C[5]Ge[5,5]P[5])(C[6a]C[6a]2)2	113.3835	0.691	2	113.3835	0.477	2	113.3835	0.477	2	113.3835	0.477	2	113.3835	0.477	2	113.6210	0.408	3
818	606	951	0:SP2_SP-NON_SP3	C[5]	Ge[5]	H	3:4:1:	4:3:4:4:	3:	C[5]-3:Ge[5]-4:H-1:	Ge[5]-4:C[5]-3:C-4:C-4:	C[5]-3:	C[5](C[5]C[6a]Ge[5])(Ge[5]Ge[5]CC)(H)	Ge[5](Ge[5]Ge[5]CC)(C[5]C[5]H)(CH3)2	H(C[5]Ge[5]C[5])	C[5](C[5]C[6a]Ge[5])(Ge[5]Ge[5]CC)(H){2|C<3>,4|C<4>}	Ge[5](Ge[5]Ge[5]CC)(C[5]C[5]H)(CH3)2{1|C<3>,2|C<4>}	H(C[5]Ge[5]C[5])	117.9470	0.000	1	117.9470	0.000	1	117.9470	0.000	1	117.9470	0.000	1	117.9470	0.000	1	117.9470	0.000	1
818	606	955	5:SP2_SP3_SP3	C[5,6]	Ge[5,5,6]	P[5]	4:4:4:	4:3:3:3:	3:3:3:3:	Ge[5,5,6]-4:P[6]-4:P[5]-4:	P[6]-4:C[5,6]-3:Ge[5,5]-3:C[5]-3:	C[5,6]-3:N[5]-3:C[6a]-3:C[6a]-3:	C[5,6](Ge[5,5,6]Ge[5,5]C[5]P[6])(P[6]C[6a]2Ge[6])(P[5]C[6a]2N[5])	Ge[5,5,6](P[6]C[6a]2C[6])(C[5,6]P[5]P[6])(Ge[5,5]N[5]2)(C[5]P[5]P)	P[5](C[5,6]Ge[5,5,6]P[6])(N[5]Ge[5,5]Si)(C[6a]C[6a]2)2	C[5,6](Ge[5,5,6]Ge[5,5]C[5]P[6])(P[6]C[6a]2Ge[6])(P[5]C[6a]2N[5]){11|C<3>,1|Si<4>,1|N<3>,1|P<3>,1|P<4>}	Ge[5,5,6](P[6]C[6a]2C[6])(C[5,6]P[5]P[6])(Ge[5,5]N[5]2)(C[5]P[5]P){10|C<3>,1|Ge<2>,2|Si<4>,1|P<4>}	P[5](C[5,6]Ge[5,5,6]P[6])(N[5]Ge[5,5]Si)(C[6a]C[6a]2)2{1|Ge<2>,1|N<3>,1|P<4>,4|H<1>,7|C<3>}	113.2570	0.000	1	113.2570	0.000	1	113.2570	0.000	1	113.2570	0.000	1	113.2570	0.000	1	112.0782	1.838	4
818	606	955	5:SP2_SP3_SP3	C[5]	Ge[5,5,6]	P[5]	4:4:3:	4:3:3:3:	3:3:3:3:	Ge[5,5,6]-4:P[5]-4:P-3:	P[6]-4:C[5,6]-3:Ge[5,5]-3:C[5]-3:	C[5]-3:N[5]-3:C[6a]-3:C[6a]-3:	C[5](Ge[5,5,6]Ge[5,5]C[5,6]P[6])(P[5]C[6a]2N[5])(PC[6a]2)	Ge[5,5,6](P[6]C[6a]2C[6])(C[5,6]P[5]P[6])(Ge[5,5]N[5]2)(C[5]P[5]P)	P[5](C[5]Ge[5,5,6]P)(N[5]Ge[5,5]Si)(C[6a]C[6a]2)2	C[5](Ge[5,5,6]Ge[5,5]C[5,6]P[6])(P[5]C[6a]2N[5])(PC[6a]2){1|Si<4>,1|N<3>,2|P<4>,7|C<3>}	Ge[5,5,6](P[6]C[6a]2C[6])(C[5,6]P[5]P[6])(Ge[5,5]N[5]2)(C[5]P[5]P){10|C<3>,1|Ge<2>,2|Si<4>,1|P<4>}	P[5](C[5]Ge[5,5,6]P)(N[5]Ge[5,5]Si)(C[6a]C[6a]2)2{1|N<3>,1|P<4>,4|H<1>,5|C<3>}	110.9450	0.000	1	110.9450	0.000	1	110.9450	0.000	1	110.9450	0.000	1	110.9450	0.000	1	112.0782	1.838	4
818	606	955	5:SP2_SP3_SP3	C[5]	Ge[5,5]	P[5]	4:4:3:	3:3:3:4:	3:3:3:3:	Ge[5,5]-4:P[5]-4:P-3:	Ge[5,5]-3:C[5]-3:C[5]-3:P-4:	N[5]-3:C[5]-3:C[6a]-3:C[6a]-3:	C[5](Ge[5,5]Ge[5,5]C[5]P)(P[5]C[6a]2N[5])(PC[6a]2)	Ge[5,5](Ge[5,5]N[5]2)(C[5]P[5]P)2(PC[6a]2C)	P[5](N[5]Ge[5,5]Si)(C[5]Ge[5,5]P)(C[6a]C[6a]2)2	C[5](Ge[5,5]Ge[5,5]C[5]P)(P[5]C[6a]2N[5])(PC[6a]2){1|Si<4>,1|N<3>,1|P<3>,1|P<4>,4|C<3>}	Ge[5,5](Ge[5,5]N[5]2)(C[5]P[5]P)2(PC[6a]2C){2|Si<4>,4|C<3>}	P[5](N[5]Ge[5,5]Si)(C[5]Ge[5,5]P)(C[6a]C[6a]2)2{1|N<3>,1|P<4>,4|H<1>,5|C<3>}	112.0555	1.685	2	112.0555	2.839	2	112.0555	2.839	2	112.0555	2.839	2	112.0555	2.839	2	112.0782	1.838	4
818	610	727	0:SP2_SP2_SP3	C[5]	B	C[5,6a]	3:3:4:	3:3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:B-4:	C[5]-3:C[6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]P)(BC[6a]2F)	B(C[5]C[5,6a]C[5])(C[6a]C[6a]2)2(F)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]F)(C[5]C[5]B)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]P)(BC[6a]2F){1|F<1>,4|C<3>}	B(C[5]C[5,6a]C[5])(C[6a]C[6a]2)2(F)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]F)(C[5]C[5]B){1|P<3>,2|F<1>,3|C<3>}	121.9380	0.000	1	121.9380	0.000	1	121.9380	0.000	1	121.9380	0.000	1	122.5905	5.346	4	122.5905	5.346	4
818	610	727	0:SP2_SP2_SP3	C[5]	B	C[5,6a]	3:3:4:	3:3:3:2:	3:3:3:	C[5,6a]-3:C[5]-3:B-4:	C[5]-3:C[6a]-3:C[6a]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(BC[6a]2N)	B(C[5]C[5,6a]C[5])(C[6a]C[6a]2)2(NC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]B)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(BC[6a]2N){1|C<4>,2|C<3>,2|H<1>}	B(C[5]C[5,6a]C[5])(C[6a]C[6a]2)2(NC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]B){1|C<3>,1|C<4>,4|H<1>}	124.4135	0.076	2	124.4135	0.006	2	124.4135	0.006	2	124.4135	0.006	2	122.5905	5.346	4	122.5905	5.346	4
818	610	727	0:SP2_SP2_SP3	C[5]	B	C[5,6a]	3:3:4:	3:3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:B-4:	C[5]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3]S[5])(BC[6a]3)	B(C[5]C[5,6a]C[5])(C[6a]C[6a]2)3	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]B)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3]S[5])(BC[6a]3){2|C<3>,2|H<1>,3|C<4>}	B(C[5]C[5,6a]C[5])(C[6a]C[6a]2)3	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]B){1|C<3>,2|C<4>,2|H<1>}	119.5970	0.000	1	119.5970	0.000	1	119.5970	0.000	1	119.5970	0.000	1	122.5905	5.346	4	122.5905	5.346	4
818	610	818	0:SP2_SP2_SP3	C[5]	B	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-3:B-4:	C[5]-3:H-1:H-1:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(BH3)	B(C[5]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]B)(N[5]N[5]C)	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(BH3){1|C<4>,2|C<3>}	B(C[5]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]B)(N[5]N[5]C){1|C<4>,2|C<3>,2|H<1>}	132.0680	0.988	3	132.0680	0.976	3	132.0680	0.976	3	131.8945	0.771	4	124.9431	16.798	34	124.9431	16.798	34
818	610	818	0:SP2_SP2_SP3	C[5]	B	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-3:B-4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]N[5])(N[5]C[6a]N[5])(BH3)	B(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]B)	C[5](C[5]C[6a]N[5])(N[5]C[6a]N[5])(BH3){5|C<3>}	B(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]B){2|H<1>,5|C<3>}	131.3740	0.000	1	131.3740	0.000	1	131.3740	0.000	1	131.8945	0.771	4	124.9431	16.798	34	124.9431	16.798	34
818	610	818	0:SP2_SP2_SP3	C[5]	B	C[5]	3:3:4:	3:3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:B-4:	C[5]-3:C[6a]-3:C[6a]-3:F-1:	P[5]-4:C[5]-3:P-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]P)(BC[6a]2F)	B(C[5]C[5,6a]C[5])(C[6a]C[6a]2)2(F)	C[5](P[5]C[5,6a]C[6a]2)(C[5]C[5,6a]B)(PC[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]P)(BC[6a]2F){1|F<1>,4|C<3>}	B(C[5]C[5,6a]C[5])(C[6a]C[6a]2)2(F)	C[5](P[5]C[5,6a]C[6a]2)(C[5]C[5,6a]B)(PC[6a]2){6|C<3>}	124.5060	0.000	1	124.5060	0.000	1	124.5060	0.000	1	124.5060	0.000	1	124.9431	16.798	34	124.9431	16.798	34
818	610	818	0:SP2_SP2_SP3	C[5]	B	C[5]	3:3:4:	3:3:3:2:	4:3:1:	C[5,6a]-3:C[5]-3:B-4:	C[5]-3:C[6a]-3:C[6a]-3:N-2:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(BC[6a]2N)	B(C[5]C[5,6a]C[5])(C[6a]C[6a]2)2(NC)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]B)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(BC[6a]2N){1|C<4>,2|C<3>,2|H<1>}	B(C[5]C[5,6a]C[5])(C[6a]C[6a]2)2(NC)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]B)(H){2|C<3>}	128.1425	0.139	2	128.1425	0.019	2	128.1425	0.019	2	128.1425	0.019	2	124.9431	16.798	34	124.9431	16.798	34
818	610	818	0:SP2_SP2_SP3	C[5]	B	C[5]	3:3:4:	3:3:3:3:	3:2:3:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[5]-3:O[5]-2:N-3:	C[5](N[5]C[6a]N[5])(C[5]O[5]N)(BC[6a]3)	B(C[5]C[5]N[5])(C[6a]C[6a]2)3	C[5](C[5]N[5]B)(O[5]N[5])(NCH)	C[5](N[5]C[6a]N[5])(C[5]O[5]N)(BC[6a]3){2|C<3>}	B(C[5]C[5]N[5])(C[6a]C[6a]2)3	C[5](C[5]N[5]B)(O[5]N[5])(NCH){1|C<3>}	128.8870	2.940	2	128.8870	8.644	2	128.8870	8.644	2	128.8870	8.644	2	124.9431	16.798	34	124.9431	16.798	34
818	610	818	0:SP2_SP2_SP3	C[5]	B	C[5]	3:3:4:	3:3:3:3:	3:3:1:	C[5]-3:N[5]-3:B-4:	C[5]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(BC[6a]3)	B(C[5]C[5]N[5])(C[6a]C[6a]2)3	C[5](C[5]N[5]B)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(BC[6a]3){1|C<4>,1|H<1>}	B(C[5]C[5]N[5])(C[6a]C[6a]2)3	C[5](C[5]N[5]B)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	123.1430	0.000	1	123.1430	0.000	1	123.1430	0.000	1	121.8337	8.239	16	124.9431	16.798	34	124.9431	16.798	34
818	610	818	0:SP2_SP2_SP3	C[5]	B	C[5]	3:3:4:	3:3:3:3:	3:3:1:	C[5]-3:N[5]-3:B-4:	C[6a]-3:C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(BC[6a]3)	B(C[6a]C[4,6a]C[6a])(C[5]C[5]N[5])(C[6a]C[6a]2)2	C[5](C[5]N[5]B)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(BC[6a]3){1|C<4>,1|H<1>}	B(C[6a]C[4,6a]C[6a])(C[5]C[5]N[5])(C[6a]C[6a]2)2	C[5](C[5]N[5]B)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	123.2660	0.000	1	123.2660	0.000	1	123.2660	0.000	1	121.8337	8.239	16	124.9431	16.798	34	124.9431	16.798	34
818	610	818	0:SP2_SP2_SP3	C[5]	B	C[5]	3:3:4:	3:3:3:3:	3:3:1:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[6a]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]C[6])(C[5]N[5]H)(BC[6a]3)	B(C[5]C[5]N[5])(C[6a]C[6a]2)3	C[5](N[5]C[6a]C[5])(C[5]N[5]B)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(BC[6a]3){1|Pd<6>,1|C<4>,2|C<3>}	B(C[5]C[5]N[5])(C[6a]C[6a]2)3	C[5](N[5]C[6a]C[5])(C[5]N[5]B)(H){1|Pd<6>,1|C<4>,2|C<3>}	123.7350	0.000	1	122.3955	3.589	2	121.6379	9.176	14	121.8337	8.239	16	124.9431	16.798	34	124.9431	16.798	34
818	610	818	0:SP2_SP2_SP3	C[5]	B	C[5]	3:3:4:	3:3:3:3:	3:3:1:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[6a]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]C[6])(C[5]N[5]H)(BC[6a]3)	B(C[5]C[5]N[5])(C[6a]C[6a]2)3	C[5](N[5]C[6a]C[5])(C[5]N[5]B)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(BC[6a]3){2|Ir<7>,1|C<3>,2|C<4>}	B(C[5]C[5]N[5])(C[6a]C[6a]2)3	C[5](N[5]C[6a]C[5])(C[5]N[5]B)(H){1|Ir<7>,1|C<4>,2|C<3>}	121.0560	0.000	1	122.3955	3.589	2	121.6379	9.176	14	121.8337	8.239	16	124.9431	16.798	34	124.9431	16.798	34
818	610	818	0:SP2_SP2_SP3	C[5]	B	C[5]	3:3:4:	3:3:3:3:	3:3:1:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[6a]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(BC[6a]3)	B(C[5]C[5]N[5])(C[6a]C[6a]2)3	C[5](N[5]C[5]C[6])(C[5]N[5]B)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(BC[6a]3){1|Ir<7>,1|C<4>,2|C<3>}	B(C[5]C[5]N[5])(C[6a]C[6a]2)3	C[5](N[5]C[5]C[6])(C[5]N[5]B)(H){2|Ir<7>,1|C<3>,2|C<4>}	122.2990	0.000	1	122.2990	0.000	1	121.6379	9.176	14	121.8337	8.239	16	124.9431	16.798	34	124.9431	16.798	34
818	610	818	0:SP2_SP2_SP3	C[5]	B	C[5]	3:3:4:	3:3:3:3:	3:3:1:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[6a]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(BC[6a]3)	B(C[5]C[5]N[5])(C[6a]C[6a]2)3	C[5](N[5]C[6a]C[5])(C[5]N[5]B)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(BC[6a]3){1|As<3>,3|C<3>}	B(C[5]C[5]N[5])(C[6a]C[6a]2)3	C[5](N[5]C[6a]C[5])(C[5]N[5]B)(H){1|As<3>,3|C<3>}	117.7520	0.000	1	121.4401	11.368	11	121.6379	9.176	14	121.8337	8.239	16	124.9431	16.798	34	124.9431	16.798	34
818	610	818	0:SP2_SP2_SP3	C[5]	B	C[5]	3:3:4:	3:3:3:3:	3:3:1:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[6a]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(BC[6a]3)	B(C[5]C[5]N[5])(C[6a]C[6a]2)3	C[5](N[5]C[6a]C[5])(C[5]N[5]B)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(BC[6a]3){1|H<1>,3|C<3>}	B(C[5]C[5]N[5])(C[6a]C[6a]2)3	C[5](N[5]C[6a]C[5])(C[5]N[5]B)(H){1|H<1>,3|C<3>}	123.3680	0.000	1	121.4401	11.368	11	121.6379	9.176	14	121.8337	8.239	16	124.9431	16.798	34	124.9431	16.798	34
818	610	818	0:SP2_SP2_SP3	C[5]	B	C[5]	3:3:4:	3:3:3:3:	3:3:1:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[6a]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(BC[6a]3)	B(C[5]C[5]N[5])(C[6a]C[6a]2)3	C[5](N[5]C[6a]C[5])(C[5]N[5]B)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(BC[6a]3){1|Ir<7>,3|C<3>}	B(C[5]C[5]N[5])(C[6a]C[6a]2)3	C[5](N[5]C[6a]C[5])(C[5]N[5]B)(H){1|Ir<7>,3|C<3>}	120.8670	0.000	1	121.4401	11.368	11	121.6379	9.176	14	121.8337	8.239	16	124.9431	16.798	34	124.9431	16.798	34
818	610	818	0:SP2_SP2_SP3	C[5]	B	C[5]	3:3:4:	3:3:3:3:	3:3:1:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[6a]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(BC[6a]3)	B(C[5]C[5]N[5])(C[6a]C[6a]2)3	C[5](N[5]C[6a]C[5])(C[5]N[5]B)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(BC[6a]3){1|Ir<9>,3|C<3>}	B(C[5]C[5]N[5])(C[6a]C[6a]2)3	C[5](N[5]C[6a]C[5])(C[5]N[5]B)(H){1|Ir<9>,3|C<3>}	119.8860	0.000	1	121.4401	11.368	11	121.6379	9.176	14	121.8337	8.239	16	124.9431	16.798	34	124.9431	16.798	34
818	610	818	0:SP2_SP2_SP3	C[5]	B	C[5]	3:3:4:	3:3:3:3:	3:3:1:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[6a]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(BC[6a]3)	B(C[5]C[5]N[5])(C[6a]C[6a]2)3	C[5](N[5]C[6a]C[5])(C[5]N[5]B)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(BC[6a]3){1|Li<4>,3|C<3>}	B(C[5]C[5]N[5])(C[6a]C[6a]2)3	C[5](N[5]C[6a]C[5])(C[5]N[5]B)(H){1|Li<4>,3|C<3>}	130.4650	0.000	1	121.4401	11.368	11	121.6379	9.176	14	121.8337	8.239	16	124.9431	16.798	34	124.9431	16.798	34
818	610	818	0:SP2_SP2_SP3	C[5]	B	C[5]	3:3:4:	3:3:3:3:	3:3:1:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[6a]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(BC[6a]3)	B(C[5]C[5]N[5])(C[6a]C[6a]2)3	C[5](N[5]C[6a]C[5])(C[5]N[5]B)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(BC[6a]3){1|P<3>,3|C<3>}	B(C[5]C[5]N[5])(C[6a]C[6a]2)3	C[5](N[5]C[6a]C[5])(C[5]N[5]B)(H){1|P<3>,3|C<3>}	118.0540	0.000	1	121.4401	11.368	11	121.6379	9.176	14	121.8337	8.239	16	124.9431	16.798	34	124.9431	16.798	34
818	610	818	0:SP2_SP2_SP3	C[5]	B	C[5]	3:3:4:	3:3:3:3:	3:3:1:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[6a]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(BC[6a]3)	B(C[5]C[5]N[5])(C[6a]C[6a]2)3	C[5](N[5]C[6a]C[5])(C[5]N[5]B)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(BC[6a]3){1|S<2>,3|C<3>}	B(C[5]C[5]N[5])(C[6a]C[6a]2)3	C[5](N[5]C[6a]C[5])(C[5]N[5]B)(H){1|S<2>,3|C<3>}	121.1640	0.128	3	121.4401	11.368	11	121.6379	9.176	14	121.8337	8.239	16	124.9431	16.798	34	124.9431	16.798	34
818	610	818	0:SP2_SP2_SP3	C[5]	B	C[5]	3:3:4:	3:3:3:3:	3:3:1:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[6a]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(BC[6a]3)	B(C[5]C[5]N[5])(C[6a]C[6a]2)3	C[5](N[5]C[6a]C[5])(C[5]N[5]B)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(BC[6a]3){1|Se<1>,3|C<3>}	B(C[5]C[5]N[5])(C[6a]C[6a]2)3	C[5](N[5]C[6a]C[5])(C[5]N[5]B)(H){1|Se<1>,3|C<3>}	121.0630	0.000	1	121.4401	11.368	11	121.6379	9.176	14	121.8337	8.239	16	124.9431	16.798	34	124.9431	16.798	34
818	610	818	0:SP2_SP2_SP3	C[5]	B	C[5]	3:3:4:	3:3:3:3:	3:3:1:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[6a]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(BC[6a]3)	B(C[5]C[5]N[5])(C[6a]C[6a]2)3	C[5](N[5]C[6a]C[5])(C[5]N[5]B)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(BC[6a]3){1|V<4>,3|C<3>}	B(C[5]C[5]N[5])(C[6a]C[6a]2)3	C[5](N[5]C[6a]C[5])(C[5]N[5]B)(H){1|V<4>,3|C<3>}	120.8940	0.000	1	121.4401	11.368	11	121.6379	9.176	14	121.8337	8.239	16	124.9431	16.798	34	124.9431	16.798	34
818	610	818	0:SP2_SP2_SP3	C[5]	B	C[5]	3:3:4:	3:3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:B-4:	C[5]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[5]-3:S[5]-3:C[3]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3]S[5])(BC[6a]3)	B(C[5]C[5,6a]C[5])(C[6a]C[6a]2)3	C[5](C[5]C[5,6a]B)(S[5]C[5,6a]C)(C[3]C[3]2H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3]S[5])(BC[6a]3){2|C<3>,2|H<1>,3|C<4>}	B(C[5]C[5,6a]C[5])(C[6a]C[6a]2)3	C[5](C[5]C[5,6a]B)(S[5]C[5,6a]C)(C[3]C[3]2H){2|C<3>,4|H<1>}	128.3770	0.000	1	128.3770	0.000	1	128.3770	0.000	1	128.3770	0.000	1	124.9431	16.798	34	124.9431	16.798	34
818	610	818	0:SP2_SP2_SP3	C[5]	B	C[5]	3:3:4:	3:4:4:2:	3:3:1:	N[5]-3:C[5]-3:B-4:	C[5]-3:C-4:C-4:O-2:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(BCCO)	B(C[5]C[5]N[5])(CCHH)2(OS)	C[5](N[5]C[6a]C[5])(C[5]N[5]B)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(BCCO){1|C<4>,3|C<3>}	B(C[5]C[5]N[5])(CCHH)2(OS)	C[5](N[5]C[6a]C[5])(C[5]N[5]B)(H){1|C<4>,3|C<3>}	124.9450	0.000	1	124.9450	0.000	1	124.9450	0.000	1	124.9450	0.000	1	124.9431	16.798	34	124.9431	16.798	34
818	610	818	0:SP2_SP2_SP3	C[5]	B	C[5]	3:3:4:	3:4:4:4:	3:3:1:	N[5]-3:C[5]-3:B-4:	C[5]-3:C-4:C-4:C-4:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(BC3)	B(C[5]C[5]N[5])(CCHH)3	C[5](N[5]C[6a]C[5])(C[5]N[5]B)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(BC3){1|C<4>,3|C<3>}	B(C[5]C[5]N[5])(CCHH)3	C[5](N[5]C[6a]C[5])(C[5]N[5]B)(H){1|C<4>,3|C<3>}	126.4940	0.000	1	126.4940	0.000	1	126.4940	0.000	1	126.4940	0.000	1	124.9431	16.798	34	124.9431	16.798	34
818	610	818	0:SP2_SP2_SP3	C[5]	B	C[5]	3:4:3:	3:3:3:3:	3:3:3:	C[5]-3:B-4:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:N[6]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(BC[6a]2N[6])(C[5]B[5]Si)	B(C[6a]C[6a]2)2(C[5]C[5]2)(N[6]C[6]2)	C[5](C[6a]C[6a]2)(C[5]B[5]Si)(C[5]C[5]B)	C[5](C[5]C[6a]C[5])(BC[6a]2N[6])(C[5]B[5]Si){1|Si<4>,1|N<3>,3|C<3>}	B(C[6a]C[6a]2)2(C[5]C[5]2)(N[6]C[6]2)	C[5](C[6a]C[6a]2)(C[5]B[5]Si)(C[5]C[5]B){1|Si<4>,1|N<3>,2|F<1>,3|C<3>}	126.0230	0.000	1	126.0230	0.000	1	126.0230	0.000	1	126.0230	0.000	1	124.9431	16.798	34	124.9431	16.798	34
818	610	818	0:SP2_SP2_SP3	C[5]	B	C[5]	3:4:3:	3:3:3:3:	4:3:4:	C[5]-3:B-4:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:N[6]-3:	B[5]-4:C[5]-3:Si-4:	C[5](C[5]C[6a]C[5])(BC[6a]2N[6])(C[5]B[5]Si)	B(C[6a]C[6a]2)2(C[5]C[5]2)(N[6]C[6]2)	C[5](B[5]C[6a]C[5]N[6])(C[5]C[5]B)(SiC3)	C[5](C[5]C[6a]C[5])(BC[6a]2N[6])(C[5]B[5]Si){1|Si<4>,1|N<3>,3|C<3>}	B(C[6a]C[6a]2)2(C[5]C[5]2)(N[6]C[6]2)	C[5](B[5]C[6a]C[5]N[6])(C[5]C[5]B)(SiC3){1|Si<4>,5|C<3>}	125.2070	0.000	1	125.2070	0.000	1	125.2070	0.000	1	125.2070	0.000	1	124.9431	16.798	34	124.9431	16.798	34
818	610	818	0:SP2_SP2_SP3	C[5]	B	C[5]	3:4:3:	3:3:3:4:	3:3:3:	C[5]-3:B-4:C[5]-3:	C[6a]-3:C[5]-3:N[6]-3:C-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(BC[6a]N[6]C)(C[5]B[5]Si)	B(C[6a]C[6a]2)(C[5]C[5]2)(N[6]C[6]2)(CH3)	C[5](C[6a]C[6a]2)(C[5]B[5]Si)(C[5]C[5]B)	C[5](C[5]C[6a]C[5])(BC[6a]N[6]C)(C[5]B[5]Si){1|Si<4>,1|N<3>,2|C<3>}	B(C[6a]C[6a]2)(C[5]C[5]2)(N[6]C[6]2)(CH3)	C[5](C[6a]C[6a]2)(C[5]B[5]Si)(C[5]C[5]B){1|Si<4>,1|N<3>,2|C<3>,2|F<1>}	125.4780	0.000	1	125.4780	0.000	1	125.4780	0.000	1	125.4780	0.000	1	124.9431	16.798	34	124.9431	16.798	34
818	610	818	0:SP2_SP2_SP3	C[5]	B	C[5]	3:4:3:	3:3:3:4:	4:3:3:	C[5]-3:B-4:C[5]-3:	C[6a]-3:C[5]-3:N[6]-3:C-4:	Si-4:B[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(BC[6a]N[6]C)(C[5]B[5]Si)	B(C[6a]C[6a]2)(C[5]C[5]2)(N[6]C[6]2)(CH3)	C[5](SiC[6a]CC)(B[5]C[5]N)(C[5]C[5]B)	C[5](C[5]C[6a]C[5])(BC[6a]N[6]C)(C[5]B[5]Si){1|Si<4>,1|N<3>,2|C<3>}	B(C[6a]C[6a]2)(C[5]C[5]2)(N[6]C[6]2)(CH3)	C[5](SiC[6a]CC)(B[5]C[5]N)(C[5]C[5]B){1|Si<4>,1|C<3>}	126.2550	0.000	1	126.2550	0.000	1	126.2550	0.000	1	126.2550	0.000	1	124.9431	16.798	34	124.9431	16.798	34
818	610	818	0:SP2_SP2_SP3	C[5]	B	C[5]	4:3:4:	3:3:3:3:	4:3:1:	P[5]-4:C[5]-3:B-4:	C[5]-3:C[6a]-3:C[6a]-3:C[6a]-3:	P[5]-4:C[5]-3:H-1:	C[5](P[5]C[6a]2C[5])(C[5]P[5]H)(BC[6a]3)	B(C[5]C[5]P[5])(C[6a]C[6a]2)3	C[5](P[5]C[6a]2C[5])(C[5]P[5]B)(H)	C[5](P[5]C[6a]2C[5])(C[5]P[5]H)(BC[6a]3){1|C<4>,6|C<3>}	B(C[5]C[5]P[5])(C[6a]C[6a]2)3	C[5](P[5]C[6a]2C[5])(C[5]P[5]B)(H){1|C<4>,6|C<3>}	123.7690	0.000	1	123.7690	0.000	1	123.7690	0.000	1	123.7690	0.000	1	124.9431	16.798	34	124.9431	16.798	34
818	610	818	0:SP2_SP2_SP3	C[5]	B	C[5]	4:3:4:	3:3:3:4:	4:3:1:	P[5]-4:C[5]-3:B-4:	C[5]-3:C[6a]-3:C[6a]-3:C-4:	P[5]-4:C[5]-3:H-1:	C[5](P[5]C[6a]2C[5])(C[5]P[5]H)(BC[6a]2C)	B(C[5]C[5]P[5])(C[6a]C[6a]2)2(CH3)	C[5](P[5]C[6a]2C[5])(C[5]P[5]B)(H)	C[5](P[5]C[6a]2C[5])(C[5]P[5]H)(BC[6a]2C){7|C<3>}	B(C[5]C[5]P[5])(C[6a]C[6a]2)2(CH3)	C[5](P[5]C[6a]2C[5])(C[5]P[5]B)(H){7|C<3>}	126.0360	0.000	1	126.0360	0.000	1	126.0360	0.000	1	126.0360	0.000	1	124.9431	16.798	34	124.9431	16.798	34
818	610	891	0:SP2_SP2_SP3	C[5]	B	S[5]	2:2:4:	3:3:3:3:	3:3:	S[5]-2:S[5]-2:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:	C[5](S[5]C[5,6a])2(BC[6a]3)	B(C[6a]C[6a]2)3(C[5]S[5]2)	S[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]B)	C[5](S[5]C[5,6a])2(BC[6a]3){2|C<3>}	B(C[6a]C[6a]2)3(C[5]S[5]2)	S[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]B){1|F<1>,2|C<3>}	122.0335	1.167	4	122.0335	1.362	4	122.0335	1.362	4	122.0335	1.362	4	122.0335	1.362	4	122.0335	1.362	4
818	610	955	0:SP2_SP3_SP3	C[5]	B	P[5]	4:3:4:	3:3:3:3:	3:3:3:3:	P[5]-4:C[5]-3:B-4:	C[5]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:C[5]-3:	C[5](P[5]C[6a]2C[5])(C[5]P[5]H)(BC[6a]3)	B(C[5]C[5]P[5])(C[6a]C[6a]2)3	P[5](C[6a]C[6a]2)2(C[5]C[5]B)(C[5]P[5]C)	C[5](P[5]C[6a]2C[5])(C[5]P[5]H)(BC[6a]3){1|C<4>,6|C<3>}	B(C[5]C[5]P[5])(C[6a]C[6a]2)3	P[5](C[6a]C[6a]2)2(C[5]C[5]B)(C[5]P[5]C){5|H<1>,6|C<3>}	129.2120	0.000	1	129.2120	0.000	1	129.2120	0.000	1	129.2120	0.000	1	126.0170	20.416	2	126.0170	20.416	2
818	610	955	0:SP2_SP3_SP3	C[5]	B	P[5]	4:3:4:	3:3:3:4:	3:3:3:3:	P[5]-4:C[5]-3:B-4:	C[5]-3:C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[5]-3:C[5]-3:	C[5](P[5]C[6a]2C[5])(C[5]P[5]H)(BC[6a]2C)	B(C[5]C[5]P[5])(C[6a]C[6a]2)2(CH3)	P[5](C[6a]C[6a]2)2(C[5]C[5]B)(C[5]P[5]C)	C[5](P[5]C[6a]2C[5])(C[5]P[5]H)(BC[6a]2C){7|C<3>}	B(C[5]C[5]P[5])(C[6a]C[6a]2)2(CH3)	P[5](C[6a]C[6a]2)2(C[5]C[5]B)(C[5]P[5]C){5|H<1>,6|C<3>}	122.8220	0.000	1	122.8220	0.000	1	122.8220	0.000	1	122.8220	0.000	1	126.0170	20.416	2	126.0170	20.416	2
818	610	960	0:SP2_SP2_SP3	C[5]	B	N[5]	4:2:2:	3:3:3:3:	4:3:	B-4:N[5]-2:O[5]-2:	C[5]-3:C[5]-3:C[5]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](BC[6a]C[5]2)(N[5]C[5])(O[5]C[5])	B(C[5]N[5]O[5])3(C[6a]C[6a]2)	N[5](C[5]C[5]CC)(C[5]O[5]B)	C[5](BC[6a]C[5]2)(N[5]C[5])(O[5]C[5]){2|C<4>,2|H<1>}	B(C[5]N[5]O[5])3(C[6a]C[6a]2)	N[5](C[5]C[5]CC)(C[5]O[5]B){2|H<1>}	127.9064	2.777	7	127.9064	7.709	7	127.3977	6.169	10	128.2136	6.964	14	128.2136	6.964	14	128.2136	6.964	14
818	610	960	0:SP2_SP2_SP3	C[5]	B	N[5]	4:2:2:	3:3:3:3:	4:3:	B-4:N[5]-2:O[5]-2:	C[5]-3:C[5]-3:C[5]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](BC[6a]C[5]2)(N[5]C[5])(O[5]C[5])	B(C[5]N[5]O[5])3(C[6a]C[6a]2)	N[5](C[5]C[5]CH)(C[5]O[5]B)	C[5](BC[6a]C[5]2)(N[5]C[5])(O[5]C[5]){1|H<1>,3|C<4>}	B(C[5]N[5]O[5])3(C[6a]C[6a]2)	N[5](C[5]C[5]CH)(C[5]O[5]B){2|C<4>}	126.2107	1.271	3	126.2107	1.615	3	127.3977	6.169	10	128.2136	6.964	14	128.2136	6.964	14	128.2136	6.964	14
818	610	960	0:SP2_SP2_SP3	C[5]	B	N[5]	4:2:2:	3:3:3:3:	4:3:	B-4:N[5]-2:O[5]-2:	C[5]-3:C[5]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-3:	C[5](BC[6a]C[5]N[5])(N[5]C[5])(O[5]C[5])	B(C[5]N[5]O[5])2(C[6a]C[6a]2)(N[5]C[5]2)	N[5](C[5]C[5]CC)(C[5]O[5]B)	C[5](BC[6a]C[5]N[5])(N[5]C[5])(O[5]C[5]){2|C<4>,2|H<1>}	B(C[5]N[5]O[5])2(C[6a]C[6a]2)(N[5]C[5]2)	N[5](C[5]C[5]CC)(C[5]O[5]B){2|H<1>}	130.2532	1.976	4	130.2532	3.906	4	130.2532	3.906	4	128.2136	6.964	14	128.2136	6.964	14	128.2136	6.964	14
818	610	976	0:SP2_SP2_SP3	C[5]	B	O[5]	4:2:2:	3:3:3:1:	4:3:	B-4:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:H-1:	B[5]-4:C[5]-3:	C[5](BC[6a]2H)(O[5]B[5])(O[5]C[5])	B(C[6a]C[6a]2)2(C[5]O[5]2)(H)	O[5](B[5]C[6a]2C[5])(C[5]O[5]B)	C[5](BC[6a]2H)(O[5]B[5])(O[5]C[5]){1|C<4>,1|H<1>,2|C<3>}	B(C[6a]C[6a]2)2(C[5]O[5]2)(H)	O[5](B[5]C[6a]2C[5])(C[5]O[5]B){1|C<4>,1|H<1>,4|C<3>}	123.9130	0.000	1	123.9130	0.000	1	123.9130	0.000	1	122.4880	4.061	2	119.6729	6.549	132	119.6729	6.549	132
818	610	976	0:SP2_SP2_SP3	C[5]	B	O[5]	4:2:2:	3:3:3:1:	4:3:	B-4:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:	C[5](BC[6a]2H)(O[5]B[5])(O[5]C[5])	B(C[6a]C[6a]2)2(C[5]O[5]2)(H)	O[5](C[5]B[5]CH)(C[5]O[5]B)	C[5](BC[6a]2H)(O[5]B[5])(O[5]C[5]){1|C<4>,1|H<1>,2|C<3>}	B(C[6a]C[6a]2)2(C[5]O[5]2)(H)	O[5](C[5]B[5]CH)(C[5]O[5]B){2|C<3>}	121.0630	0.000	1	121.0630	0.000	1	121.0630	0.000	1	122.4880	4.061	2	119.6729	6.549	132	119.6729	6.549	132
818	610	976	0:SP2_SP2_SP3	C[5]	B	O[5]	4:2:2:	3:3:3:3:	4:3:	B-4:N[5]-2:O[5]-2:	C[5]-3:C[5]-3:C[5]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](BC[6a]C[5]2)(N[5]C[5])(O[5]C[5])	B(C[5]N[5]O[5])3(C[6a]C[6a]2)	O[5](C[5]C[5]CC)(C[5]N[5]B)	C[5](BC[6a]C[5]2)(N[5]C[5])(O[5]C[5]){1|H<1>,3|C<4>}	B(C[5]N[5]O[5])3(C[6a]C[6a]2)	O[5](C[5]C[5]CC)(C[5]N[5]B){1|C<4>,1|H<1>}	118.2927	0.994	3	118.2927	0.988	3	117.1476	6.611	10	116.0719	8.498	14	119.6729	6.549	132	119.6729	6.549	132
818	610	976	0:SP2_SP2_SP3	C[5]	B	O[5]	4:2:2:	3:3:3:3:	4:3:	B-4:N[5]-2:O[5]-2:	C[5]-3:C[5]-3:C[5]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](BC[6a]C[5]2)(N[5]C[5])(O[5]C[5])	B(C[5]N[5]O[5])3(C[6a]C[6a]2)	O[5](C[5]C[5]HH)(C[5]N[5]B)	C[5](BC[6a]C[5]2)(N[5]C[5])(O[5]C[5]){2|C<4>,2|H<1>}	B(C[5]N[5]O[5])3(C[6a]C[6a]2)	O[5](C[5]C[5]HH)(C[5]N[5]B){2|C<4>}	116.6569	2.941	7	116.6569	8.650	7	117.1476	6.611	10	116.0719	8.498	14	119.6729	6.549	132	119.6729	6.549	132
818	610	976	0:SP2_SP2_SP3	C[5]	B	O[5]	4:2:2:	3:3:3:3:	4:3:	B-4:N[5]-2:O[5]-2:	C[5]-3:C[5]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-3:	C[5](BC[6a]C[5]N[5])(N[5]C[5])(O[5]C[5])	B(C[5]N[5]O[5])2(C[6a]C[6a]2)(N[5]C[5]2)	O[5](C[5]C[5]HH)(C[5]N[5]B)	C[5](BC[6a]C[5]N[5])(N[5]C[5])(O[5]C[5]){2|C<4>,2|H<1>}	B(C[5]N[5]O[5])2(C[6a]C[6a]2)(N[5]C[5]2)	O[5](C[5]C[5]HH)(C[5]N[5]B){2|C<4>}	113.3828	1.869	4	113.3828	3.495	4	113.3828	3.495	4	116.0719	8.498	14	119.6729	6.549	132	119.6729	6.549	132
818	610	976	0:SP2_SP2_SP3	C[5]	B	O[5]	4:3:2:	3:3:3:3:	4:3:	B-4:N[5]-3:O[5]-2:	C[5]-3:C[5]-3:C[5]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](BC[6a]C[5]2)(N[5]C[5]Co)(O[5]C[5])	B(C[5]N[5]O[5])3(C[6a]C[6a]2)	O[5](C[5]C[5]HH)(C[5]N[5]B)	C[5](BC[6a]C[5]2)(N[5]C[5]Co)(O[5]C[5]){2|C<4>,2|H<1>}	B(C[5]N[5]O[5])3(C[6a]C[6a]2)	O[5](C[5]C[5]HH)(C[5]N[5]B){1|Co<4>,2|C<4>}	120.5033	1.817	15	120.6374	2.663	21	120.2669	4.158	92	120.0860	4.628	114	119.6729	6.549	132	119.6729	6.549	132
818	610	976	0:SP2_SP2_SP3	C[5]	B	O[5]	4:3:2:	3:3:3:3:	4:3:	B-4:N[5]-3:O[5]-2:	C[5]-3:C[5]-3:C[5]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](BC[6a]C[5]2)(N[5]C[5]Co)(O[5]C[5])	B(C[5]N[5]O[5])3(C[6a]C[6a]2)	O[5](C[5]C[5]HH)(C[5]N[5]B)	C[5](BC[6a]C[5]2)(N[5]C[5]Co)(O[5]C[5]){2|C<4>,2|H<1>}	B(C[5]N[5]O[5])3(C[6a]C[6a]2)	O[5](C[5]C[5]HH)(C[5]N[5]B){1|Co<5>,2|C<4>}	120.5727	0.749	3	120.6374	2.663	21	120.2669	4.158	92	120.0860	4.628	114	119.6729	6.549	132	119.6729	6.549	132
818	610	976	0:SP2_SP2_SP3	C[5]	B	O[5]	4:3:2:	3:3:3:3:	4:3:	B-4:N[5]-3:O[5]-2:	C[5]-3:C[5]-3:C[5]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](BC[6a]C[5]2)(N[5]C[5]Co)(O[5]C[5])	B(C[5]N[5]O[5])3(C[6a]C[6a]2)	O[5](C[5]C[5]HH)(C[5]N[5]B)	C[5](BC[6a]C[5]2)(N[5]C[5]Co)(O[5]C[5]){2|C<4>,2|H<1>}	B(C[5]N[5]O[5])3(C[6a]C[6a]2)	O[5](C[5]C[5]HH)(C[5]N[5]B){1|Co<6>,2|C<4>}	121.3727	1.418	3	120.6374	2.663	21	120.2669	4.158	92	120.0860	4.628	114	119.6729	6.549	132	119.6729	6.549	132
818	610	976	0:SP2_SP2_SP3	C[5]	B	O[5]	4:3:2:	3:3:3:3:	4:3:	B-4:N[5]-3:O[5]-2:	C[5]-3:C[5]-3:C[5]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](BC[6a]C[5]2)(N[5]C[5]Mg)(O[5]C[5])	B(C[5]N[5]O[5])3(C[6a]C[6a]2)	O[5](C[5]C[5]HH)(C[5]N[5]B)	C[5](BC[6a]C[5]2)(N[5]C[5]Mg)(O[5]C[5]){2|C<4>,2|H<1>}	B(C[5]N[5]O[5])3(C[6a]C[6a]2)	O[5](C[5]C[5]HH)(C[5]N[5]B){1|Mg<4>,2|C<4>}	117.2488	3.736	5	118.2831	5.986	14	120.2669	4.158	92	120.0860	4.628	114	119.6729	6.549	132	119.6729	6.549	132
818	610	976	0:SP2_SP2_SP3	C[5]	B	O[5]	4:3:2:	3:3:3:3:	4:3:	B-4:N[5]-3:O[5]-2:	C[5]-3:C[5]-3:C[5]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](BC[6a]C[5]2)(N[5]C[5]Mg)(O[5]C[5])	B(C[5]N[5]O[5])3(C[6a]C[6a]2)	O[5](C[5]C[5]HH)(C[5]N[5]B)	C[5](BC[6a]C[5]2)(N[5]C[5]Mg)(O[5]C[5]){2|C<4>,2|H<1>}	B(C[5]N[5]O[5])3(C[6a]C[6a]2)	O[5](C[5]C[5]HH)(C[5]N[5]B){1|Mg<5>,2|C<4>}	118.4363	1.055	6	118.2831	5.986	14	120.2669	4.158	92	120.0860	4.628	114	119.6729	6.549	132	119.6729	6.549	132
818	610	976	0:SP2_SP2_SP3	C[5]	B	O[5]	4:3:2:	3:3:3:3:	4:3:	B-4:N[5]-3:O[5]-2:	C[5]-3:C[5]-3:C[5]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](BC[6a]C[5]2)(N[5]C[5]Mg)(O[5]C[5])	B(C[5]N[5]O[5])3(C[6a]C[6a]2)	O[5](C[5]C[5]HH)(C[5]N[5]B)	C[5](BC[6a]C[5]2)(N[5]C[5]Mg)(O[5]C[5]){2|C<4>,2|H<1>}	B(C[5]N[5]O[5])3(C[6a]C[6a]2)	O[5](C[5]C[5]HH)(C[5]N[5]B){1|Mg<6>,2|C<4>}	119.7003	1.565	3	118.2831	5.986	14	120.2669	4.158	92	120.0860	4.628	114	119.6729	6.549	132	119.6729	6.549	132
818	610	976	0:SP2_SP2_SP3	C[5]	B	O[5]	4:3:2:	3:3:3:3:	4:3:	B-4:N[5]-3:O[5]-2:	C[5]-3:C[5]-3:C[5]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](BC[6a]C[5]2)(N[5]C[5]Mn)(O[5]C[5])	B(C[5]N[5]O[5])3(C[6a]C[6a]2)	O[5](C[5]C[5]CC)(C[5]N[5]B)	C[5](BC[6a]C[5]2)(N[5]C[5]Mn)(O[5]C[5]){1|H<1>,3|C<4>}	B(C[5]N[5]O[5])3(C[6a]C[6a]2)	O[5](C[5]C[5]CC)(C[5]N[5]B){1|Mn<6>,1|C<4>,1|H<1>}	121.3990	0.817	3	121.3990	0.667	3	120.2669	4.158	92	120.0860	4.628	114	119.6729	6.549	132	119.6729	6.549	132
818	610	976	0:SP2_SP2_SP3	C[5]	B	O[5]	4:3:2:	3:3:3:3:	4:3:	B-4:N[5]-3:O[5]-2:	C[5]-3:C[5]-3:C[5]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](BC[6a]C[5]2)(N[5]C[5]Mn)(O[5]C[5])	B(C[5]N[5]O[5])3(C[6a]C[6a]2)	O[5](C[5]C[5]HH)(C[5]N[5]B)	C[5](BC[6a]C[5]2)(N[5]C[5]Mn)(O[5]C[5]){1|C<4>,3|H<1>}	B(C[5]N[5]O[5])3(C[6a]C[6a]2)	O[5](C[5]C[5]HH)(C[5]N[5]B){1|Mn<6>,1|C<4>,1|H<1>}	121.4513	1.259	3	121.4513	1.585	3	120.2669	4.158	92	120.0860	4.628	114	119.6729	6.549	132	119.6729	6.549	132
818	610	976	0:SP2_SP2_SP3	C[5]	B	O[5]	4:3:2:	3:3:3:3:	4:3:	B-4:N[5]-3:O[5]-2:	C[5]-3:C[5]-3:C[5]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](BC[6a]C[5]2)(N[5]C[5]Ni)(O[5]C[5])	B(C[5]N[5]O[5])3(C[6a]C[6a]2)	O[5](C[5]C[5]HH)(C[5]N[5]B)	C[5](BC[6a]C[5]2)(N[5]C[5]Ni)(O[5]C[5]){2|C<4>,2|H<1>}	B(C[5]N[5]O[5])3(C[6a]C[6a]2)	O[5](C[5]C[5]HH)(C[5]N[5]B){1|Ni<4>,2|C<4>}	121.6560	1.389	3	121.6560	1.929	3	120.2669	4.158	92	120.0860	4.628	114	119.6729	6.549	132	119.6729	6.549	132
818	610	976	0:SP2_SP2_SP3	C[5]	B	O[5]	4:3:2:	3:3:3:3:	4:3:	B-4:N[5]-3:O[5]-2:	C[5]-3:C[5]-3:C[5]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](BC[6a]C[5]2)(N[5]C[5]Re)(O[5]C[5])	B(C[5]N[5]O[5])3(C[6a]C[6a]2)	O[5](C[5]C[5]CC)(C[5]N[5]B)	C[5](BC[6a]C[5]2)(N[5]C[5]Re)(O[5]C[5]){1|H<1>,3|C<4>}	B(C[5]N[5]O[5])3(C[6a]C[6a]2)	O[5](C[5]C[5]CC)(C[5]N[5]B){1|Re<6>,1|C<4>,1|H<1>}	122.2243	0.726	3	122.2243	0.528	3	120.2669	4.158	92	120.0860	4.628	114	119.6729	6.549	132	119.6729	6.549	132
818	610	976	0:SP2_SP2_SP3	C[5]	B	O[5]	4:3:2:	3:3:3:3:	4:3:	B-4:N[5]-3:O[5]-2:	C[5]-3:C[5]-3:C[5]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](BC[6a]C[5]2)(N[5]C[5]Re)(O[5]C[5])	B(C[5]N[5]O[5])3(C[6a]C[6a]2)	O[5](C[5]C[5]HH)(C[5]N[5]B)	C[5](BC[6a]C[5]2)(N[5]C[5]Re)(O[5]C[5]){1|C<4>,3|H<1>}	B(C[5]N[5]O[5])3(C[6a]C[6a]2)	O[5](C[5]C[5]HH)(C[5]N[5]B){1|Re<6>,1|C<4>,1|H<1>}	121.2763	1.177	3	121.2763	1.385	3	120.2669	4.158	92	120.0860	4.628	114	119.6729	6.549	132	119.6729	6.549	132
818	610	976	0:SP2_SP2_SP3	C[5]	B	O[5]	4:3:2:	3:3:3:3:	4:3:	B-4:N[5]-3:O[5]-2:	C[5]-3:C[5]-3:C[5]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](BC[6a]C[5]2)(N[5]C[5]Rh)(O[5]C[5])	B(C[5]N[5]O[5])3(C[6a]C[6a]2)	O[5](C[5]C[5]HH)(C[5]N[5]B)	C[5](BC[6a]C[5]2)(N[5]C[5]Rh)(O[5]C[5]){2|C<4>,2|H<1>}	B(C[5]N[5]O[5])3(C[6a]C[6a]2)	O[5](C[5]C[5]HH)(C[5]N[5]B){1|Rh<4>,2|C<4>}	119.3562	1.950	4	119.3562	3.802	4	120.2669	4.158	92	120.0860	4.628	114	119.6729	6.549	132	119.6729	6.549	132
818	610	976	0:SP2_SP2_SP3	C[5]	B	O[5]	4:3:2:	3:3:3:3:	4:3:	B-4:N[5]-3:O[5]-2:	C[5]-3:C[5]-3:C[5]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](BC[6a]C[5]2)(N[5]C[5]Zn)(O[5]C[5])	B(C[5]N[5]O[5])3(C[6a]C[6a]2)	O[5](C[5]C[5]CC)(C[5]N[5]B)	C[5](BC[6a]C[5]2)(N[5]C[5]Zn)(O[5]C[5]){1|H<1>,3|C<4>}	B(C[5]N[5]O[5])3(C[6a]C[6a]2)	O[5](C[5]C[5]CC)(C[5]N[5]B){1|Zn<4>,1|C<4>,1|H<1>}	121.0900	1.411	6	121.0900	1.992	6	120.2669	4.158	92	120.0860	4.628	114	119.6729	6.549	132	119.6729	6.549	132
818	610	976	0:SP2_SP2_SP3	C[5]	B	O[5]	4:3:2:	3:3:3:3:	4:3:	B-4:N[5]-3:O[5]-2:	C[5]-3:C[5]-3:C[5]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](BC[6a]C[5]2)(N[5]C[5]Zn)(O[5]C[5])	B(C[5]N[5]O[5])3(C[6a]C[6a]2)	O[5](C[5]C[5]HH)(C[5]N[5]B)	C[5](BC[6a]C[5]2)(N[5]C[5]Zn)(O[5]C[5]){2|C<4>,2|H<1>}	B(C[5]N[5]O[5])3(C[6a]C[6a]2)	O[5](C[5]C[5]HH)(C[5]N[5]B){1|Zn<4>,2|C<4>}	120.2256	1.967	32	120.2256	3.870	32	120.2669	4.158	92	120.0860	4.628	114	119.6729	6.549	132	119.6729	6.549	132
818	610	976	0:SP2_SP2_SP3	C[5]	B	O[5]	4:3:2:	3:3:3:3:	4:3:	B-4:N[5]-3:O[5]-2:	C[5]-3:C[5]-3:C[6a]-3:C-3:	C[5]-4:C[5]-3:	C[5](BC[6a]C[5]C)(N[5]C[5]C)(O[5]C[5])	B(C[5]N[5]O[5])2(C[6a]C[6a]2)(COO)	O[5](C[5]C[5]HH)(C[5]N[5]B)	C[5](BC[6a]C[5]C)(N[5]C[5]C)(O[5]C[5]){2|C<4>,2|H<1>}	B(C[5]N[5]O[5])2(C[6a]C[6a]2)(COO)	O[5](C[5]C[5]HH)(C[5]N[5]B){3|C<4>}	119.4880	0.382	2	119.4880	0.146	2	119.4880	0.146	2	120.0860	4.628	114	119.6729	6.549	132	119.6729	6.549	132
818	610	976	0:SP2_SP2_SP3	C[5]	B	O[5]	4:3:2:	3:3:3:3:	4:3:	B-4:N[5]-3:O[5]-2:	C[5]-3:C[5]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-3:	C[5](BC[6a]C[5]N[5])(N[5]C[5]Ir)(O[5]C[5])	B(C[5]N[5]O[5])2(C[6a]C[6a]2)(N[5]C[5]2)	O[5](C[5]C[5]HH)(C[5]N[5]B)	C[5](BC[6a]C[5]N[5])(N[5]C[5]Ir)(O[5]C[5]){2|C<4>,2|H<1>}	B(C[5]N[5]O[5])2(C[6a]C[6a]2)(N[5]C[5]2)	O[5](C[5]C[5]HH)(C[5]N[5]B){1|Ir<4>,2|C<4>}	118.7510	0.000	1	120.6348	2.385	6	119.3173	7.540	18	120.0860	4.628	114	119.6729	6.549	132	119.6729	6.549	132
818	610	976	0:SP2_SP2_SP3	C[5]	B	O[5]	4:3:2:	3:3:3:3:	4:3:	B-4:N[5]-3:O[5]-2:	C[5]-3:C[5]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-3:	C[5](BC[6a]C[5]N[5])(N[5]C[5]Ir)(O[5]C[5])	B(C[5]N[5]O[5])2(C[6a]C[6a]2)(N[5]C[5]2)	O[5](C[5]C[5]HH)(C[5]N[5]B)	C[5](BC[6a]C[5]N[5])(N[5]C[5]Ir)(O[5]C[5]){2|C<4>,2|H<1>}	B(C[5]N[5]O[5])2(C[6a]C[6a]2)(N[5]C[5]2)	O[5](C[5]C[5]HH)(C[5]N[5]B){1|Ir<5>,2|C<4>}	121.4225	1.640	2	120.6348	2.385	6	119.3173	7.540	18	120.0860	4.628	114	119.6729	6.549	132	119.6729	6.549	132
818	610	976	0:SP2_SP2_SP3	C[5]	B	O[5]	4:3:2:	3:3:3:3:	4:3:	B-4:N[5]-3:O[5]-2:	C[5]-3:C[5]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-3:	C[5](BC[6a]C[5]N[5])(N[5]C[5]Ir)(O[5]C[5])	B(C[5]N[5]O[5])2(C[6a]C[6a]2)(N[5]C[5]2)	O[5](C[5]C[5]HH)(C[5]N[5]B)	C[5](BC[6a]C[5]N[5])(N[5]C[5]Ir)(O[5]C[5]){2|C<4>,2|H<1>}	B(C[5]N[5]O[5])2(C[6a]C[6a]2)(N[5]C[5]2)	O[5](C[5]C[5]HH)(C[5]N[5]B){1|Ir<6>,2|C<4>}	120.7377	1.486	3	120.6348	2.385	6	119.3173	7.540	18	120.0860	4.628	114	119.6729	6.549	132	119.6729	6.549	132
818	610	976	0:SP2_SP2_SP3	C[5]	B	O[5]	4:3:2:	3:3:3:3:	4:3:	B-4:N[5]-3:O[5]-2:	C[5]-3:C[5]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-3:	C[5](BC[6a]C[5]N[5])(N[5]C[5]Li)(O[5]C[5])	B(C[5]N[5]O[5])2(C[6a]C[6a]2)(N[5]C[5]2)	O[5](C[5]C[5]HH)(C[5]N[5]B)	C[5](BC[6a]C[5]N[5])(N[5]C[5]Li)(O[5]C[5]){2|C<4>,2|H<1>}	B(C[5]N[5]O[5])2(C[6a]C[6a]2)(N[5]C[5]2)	O[5](C[5]C[5]HH)(C[5]N[5]B){1|Li<4>,2|C<4>}	115.0525	1.391	4	115.0525	1.935	4	119.3173	7.540	18	120.0860	4.628	114	119.6729	6.549	132	119.6729	6.549	132
818	610	976	0:SP2_SP2_SP3	C[5]	B	O[5]	4:3:2:	3:3:3:3:	4:3:	B-4:N[5]-3:O[5]-2:	C[5]-3:C[5]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-3:	C[5](BC[6a]C[5]N[5])(N[5]C[5]Rh)(O[5]C[5])	B(C[5]N[5]O[5])2(C[6a]C[6a]2)(N[5]C[5]2)	O[5](C[5]C[5]HH)(C[5]N[5]B)	C[5](BC[6a]C[5]N[5])(N[5]C[5]Rh)(O[5]C[5]){2|C<4>,2|H<1>}	B(C[5]N[5]O[5])2(C[6a]C[6a]2)(N[5]C[5]2)	O[5](C[5]C[5]HH)(C[5]N[5]B){1|Rh<4>,2|C<4>}	119.2140	0.000	1	120.6515	2.372	4	119.3173	7.540	18	120.0860	4.628	114	119.6729	6.549	132	119.6729	6.549	132
818	610	976	0:SP2_SP2_SP3	C[5]	B	O[5]	4:3:2:	3:3:3:3:	4:3:	B-4:N[5]-3:O[5]-2:	C[5]-3:C[5]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-3:	C[5](BC[6a]C[5]N[5])(N[5]C[5]Rh)(O[5]C[5])	B(C[5]N[5]O[5])2(C[6a]C[6a]2)(N[5]C[5]2)	O[5](C[5]C[5]HH)(C[5]N[5]B)	C[5](BC[6a]C[5]N[5])(N[5]C[5]Rh)(O[5]C[5]){2|C<4>,2|H<1>}	B(C[5]N[5]O[5])2(C[6a]C[6a]2)(N[5]C[5]2)	O[5](C[5]C[5]HH)(C[5]N[5]B){1|Rh<6>,2|C<4>}	121.1307	1.477	3	120.6515	2.372	4	119.3173	7.540	18	120.0860	4.628	114	119.6729	6.549	132	119.6729	6.549	132
818	610	976	0:SP2_SP2_SP3	C[5]	B	O[5]	4:3:2:	3:3:3:3:	4:3:	B-4:N[5]-3:O[5]-2:	C[5]-3:C[5]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-3:	C[5](BC[6a]C[5]N[5])(N[5]C[5]Zn)(O[5]C[5])	B(C[5]N[5]O[5])2(C[6a]C[6a]2)(N[5]C[5]2)	O[5](C[5]C[5]HH)(C[5]N[5]B)	C[5](BC[6a]C[5]N[5])(N[5]C[5]Zn)(O[5]C[5]){2|C<4>,2|H<1>}	B(C[5]N[5]O[5])2(C[6a]C[6a]2)(N[5]C[5]2)	O[5](C[5]C[5]HH)(C[5]N[5]B){1|Zn<4>,2|C<4>}	120.2715	1.770	4	120.2715	3.132	4	119.3173	7.540	18	120.0860	4.628	114	119.6729	6.549	132	119.6729	6.549	132
818	610	976	0:SP2_SP2_SP3	C[5]	B	O[5]	4:3:2:	3:3:3:3:	4:3:	B-4:N[5]-3:O[5]-2:	C[5]-3:C[5]-3:C[6a]-3:N[6]-3:	C[5]-4:C[5]-3:	C[5](BC[6a]C[5]N[6])(N[5]C[5]C)(O[5]C[5])	B(C[5]N[5]O[5])2(C[6a]C[6a]2)(N[6]C[6]2)	O[5](C[5]C[5]HH)(C[5]N[5]B)	C[5](BC[6a]C[5]N[6])(N[5]C[5]C)(O[5]C[5]){2|C<4>,2|H<1>}	B(C[5]N[5]O[5])2(C[6a]C[6a]2)(N[6]C[6]2)	O[5](C[5]C[5]HH)(C[5]N[5]B){3|C<4>}	119.2810	0.764	2	119.2810	0.583	2	119.2810	0.583	2	120.0860	4.628	114	119.6729	6.549	132	119.6729	6.549	132
818	610	976	0:SP2_SP2_SP3	C[5]	B	O[5]	4:3:2:	3:3:3:4:	4:3:	B-4:N[5]-3:O[5]-2:	C[5]-3:C[5]-3:C[6a]-3:C-4:	C[5]-4:C[5]-3:	C[5](BC[6a]C[5]C)(N[5]C[5]C)(O[5]C[5])	B(C[5]N[5]O[5])2(C[6a]C[6a]2)(CClHH)	O[5](C[5]C[5]HH)(C[5]N[5]B)	C[5](BC[6a]C[5]C)(N[5]C[5]C)(O[5]C[5]){2|C<4>,2|H<1>}	B(C[5]N[5]O[5])2(C[6a]C[6a]2)(CClHH)	O[5](C[5]C[5]HH)(C[5]N[5]B){3|C<4>}	118.5170	0.952	2	118.5170	0.906	2	118.5170	0.906	2	118.5170	0.906	2	119.6729	6.549	132	119.6729	6.549	132
818	622	727	0:SP2_SP2_SP2	C[5,6]	O[6]	C[5,6a]	3:3:2:	3:3:	3:3:3:	C[5,6a]-3:C[5,6]-3:O[6]-2:	C[5,6]-3:C[6,6a]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(O[6]C[6,6a])	O[6](C[5,6]C[5,6a]C[5,6])(C[6,6a]C[6,6a]C[6a])	C[5,6a](C[5,6]C[5,6]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(O[6]C[6,6a]){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	O[6](C[5,6]C[5,6a]C[5,6])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,5|C<3>}	C[5,6a](C[5,6]C[5,6]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	120.8620	0.000	1	120.8620	0.000	1	120.8620	0.000	1	120.8524	0.873	5	120.6919	0.811	16	120.6919	0.811	16
818	622	727	0:SP2_SP2_SP2	C[5,6]	O[6]	C[5,6a]	3:3:2:	3:3:	3:3:3:	C[5,6a]-3:C[5,6]-3:O[6]-2:	C[5,6]-3:C[6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(O[6]C[6])	O[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]N)	C[5,6a](C[5,6]C[5,6]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(O[6]C[6]){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	O[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]N){1|C<2>,1|C<4>,3|C<3>}	C[5,6a](C[5,6]C[5,6]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	119.7780	0.000	1	119.7780	0.000	1	120.8500	1.164	4	120.8524	0.873	5	120.6919	0.811	16	120.6919	0.811	16
818	622	727	0:SP2_SP2_SP2	C[5,6]	O[6]	C[5,6a]	3:3:2:	3:3:	3:3:3:	C[5,6a]-3:C[5,6]-3:O[6]-2:	C[5,6]-3:C[6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(O[6]C[6])	O[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]O)	C[5,6a](C[5,6]C[5,6]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(O[6]C[6]){1|C<4>,2|H<1>,2|O<1>,3|C<3>}	O[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]O){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6]C[5,6]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	120.7250	0.751	2	120.7250	0.564	2	120.8500	1.164	4	120.8524	0.873	5	120.6919	0.811	16	120.6919	0.811	16
818	622	727	0:SP2_SP2_SP2	C[5,6]	O[6]	C[5,6a]	3:3:2:	3:3:	3:3:3:	C[5,6a]-3:C[5,6]-3:O[6]-2:	C[5,6]-3:C[6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(O[6]C[6])	O[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6,6a]H)	C[5,6a](C[5,6]C[5,6]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(O[6]C[6]){3|H<1>,5|C<3>}	O[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6,6a]H){1|C<4>,4|C<3>}	C[5,6a](C[5,6]C[5,6]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	122.1720	0.000	1	122.1720	0.000	1	120.8500	1.164	4	120.8524	0.873	5	120.6919	0.811	16	120.6919	0.811	16
818	622	727	0:SP2_SP2_SP2	C[5,6]	O[6]	C[5,6a]	3:3:2:	3:4:	3:3:3:	C[5,6a]-3:C[5,6]-3:O[6]-2:	C[5,6]-3:C[5,6]-4:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(O[6]C[5,6])	O[6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]O[5]H)	C[5,6a](C[5,6]C[5,6]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(O[6]C[5,6]){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	O[6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]O[5]H){1|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,6]C[5,6]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	120.9730	0.000	1	120.9730	0.000	1	120.9730	0.000	1	120.6176	0.985	8	120.6919	0.811	16	120.6919	0.811	16
818	622	727	0:SP2_SP2_SP2	C[5,6]	O[6]	C[5,6a]	3:3:2:	3:4:	3:3:3:	C[5,6a]-3:C[5,6]-3:O[6]-2:	C[5,6]-3:C[6,6]-4:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(O[6]C[6,6])	O[6](C[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]N[6]H)	C[5,6a](C[5,6]C[5,6]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(O[6]C[6,6]){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	O[6](C[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]N[6]H){1|H<1>,3|C<3>,4|C<4>}	C[5,6a](C[5,6]C[5,6]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	121.6810	0.649	2	121.1260	1.135	3	121.1260	1.135	3	120.6176	0.985	8	120.6919	0.811	16	120.6919	0.811	16
818	622	727	0:SP2_SP2_SP2	C[5,6]	O[6]	C[5,6a]	3:3:2:	3:4:	3:3:3:	C[5,6a]-3:C[5,6]-3:O[6]-2:	C[5,6]-3:C[6,6]-4:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(O[6]C[6,6])	O[6](C[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]N[6]H)	C[5,6a](C[5,6]C[5,6]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(O[6]C[6,6]){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	O[6](C[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]N[6]H){1|H<1>,3|C<4>,4|C<3>}	C[5,6a](C[5,6]C[5,6]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	120.0160	0.000	1	121.1260	1.135	3	121.1260	1.135	3	120.6176	0.985	8	120.6919	0.811	16	120.6919	0.811	16
818	622	727	0:SP2_SP2_SP2	C[5,6]	O[6]	C[5,6a]	3:3:2:	3:4:	3:3:3:	C[5,6a]-3:C[5,6]-3:O[6]-2:	C[5,6]-3:C[6]-4:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(O[6]C[6])	O[6](C[5,6]C[5,6a]C[5,6])(C[6]C[5,6]CC)	C[5,6a](C[5,6]C[5,6]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(O[6]C[6]){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	O[6](C[5,6]C[5,6a]C[5,6])(C[6]C[5,6]CC){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6]C[5,6]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	120.8870	0.000	1	120.8870	0.000	1	120.1475	0.948	4	120.6176	0.985	8	120.6919	0.811	16	120.6919	0.811	16
818	622	727	0:SP2_SP2_SP2	C[5,6]	O[6]	C[5,6a]	3:3:2:	3:4:	3:3:3:	C[5,6a]-3:C[5,6]-3:O[6]-2:	C[5,6]-3:C[6]-4:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(O[6]C[6])	O[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)	C[5,6a](C[5,6]C[5,6]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(O[6]C[6]){2|C<3>,3|C<4>,5|H<1>}	O[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6]C[5,6]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	121.0560	0.000	1	121.0560	0.000	1	120.1475	0.948	4	120.6176	0.985	8	120.6919	0.811	16	120.6919	0.811	16
818	622	727	0:SP2_SP2_SP2	C[5,6]	O[6]	C[5,6a]	3:3:2:	3:4:	3:3:3:	C[5,6a]-3:C[5,6]-3:O[6]-2:	C[5,6]-3:C[6]-4:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(O[6]C[6])	O[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)	C[5,6a](C[5,6]C[5,6]O[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(O[6]C[6]){1|C<4>,2|H<1>,2|O<1>,4|C<3>}	O[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]CH){1|S<4>,4|C<3>}	C[5,6a](C[5,6]C[5,6]O[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>,2|O<1>}	119.0860	0.000	1	119.3235	0.113	2	120.1475	0.948	4	120.6176	0.985	8	120.6919	0.811	16	120.6919	0.811	16
818	622	727	0:SP2_SP2_SP2	C[5,6]	O[6]	C[5,6a]	3:3:2:	3:4:	3:3:3:	C[5,6a]-3:C[5,6]-3:O[6]-2:	C[5,6]-3:C[6]-4:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(O[6]C[6])	O[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)	C[5,6a](C[5,6]C[5,6]O[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(O[6]C[6]){1|C<4>,2|H<1>,2|O<1>,4|C<3>}	O[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]CH){1|S<4>,4|C<3>}	C[5,6a](C[5,6]C[5,6]O[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>,2|O<1>}	119.5610	0.000	1	119.3235	0.113	2	120.1475	0.948	4	120.6176	0.985	8	120.6919	0.811	16	120.6919	0.811	16
818	622	727	0:SP2_SP2_SP2	C[5,6]	O[6]	C[5,6a]	3:3:2:	4:3:	3:3:3:	C[5,6a]-3:C[5,6]-3:O[6]-2:	C[5,6,6]-4:C[5,6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6,6]C[5])(O[6]C[5,6,6])	O[6](C[5,6,6]C[5,6,6]C[5,6a]C[5,6])(C[5,6]C[5,6a]C[5,6])	C[5,6a](C[5,6]C[5,6]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6,6]C[5])(O[6]C[5,6,6]){1|H<1>,1|O<1>,3|C<4>,4|C<3>}	O[6](C[5,6,6]C[5,6,6]C[5,6a]C[5,6])(C[5,6]C[5,6a]C[5,6]){1|H<1>,2|C<4>,8|C<3>}	C[5,6a](C[5,6]C[5,6]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	120.3695	1.095	2	120.3695	1.200	2	120.3695	1.200	2	120.6223	0.792	3	120.6919	0.811	16	120.6919	0.811	16
818	622	727	0:SP2_SP2_SP2	C[5,6]	O[6]	C[5,6a]	3:3:2:	4:3:	3:3:3:	C[5,6a]-3:C[5,6]-3:O[6]-2:	Ga[5,6]-4:C[5,6]-3:	C[5,6a,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]O[6])(O[6]Ga[5,6])	O[6](Ga[5,6]Ga[5,6]N[5]2)(C[5,6]C[5,6a]C[5,6])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]O[6])(O[6]Ga[5,6]){1|Ga<4>,1|H<1>,2|N<3>,3|C<3>}	O[6](Ga[5,6]Ga[5,6]N[5]2)(C[5,6]C[5,6a]C[5,6]){1|O<2>,2|N<3>,7|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]O[6])(C[6a]C[6a]H){1|Ga<4>,1|H<1>,1|O<2>,3|C<3>}	121.1280	0.000	1	121.1280	0.000	1	121.1280	0.000	1	120.6223	0.792	3	120.6919	0.811	16	120.6919	0.811	16
818	622	818	0:SP2_SP2_SP2	C[5,6,6]	O[6,6]	C[5]	4:2:3:	3:4:	3:3:3:	C[5,3x6]-4:O[6,6]-2:C[5]-3:	C[5,6,6]-3:C[3x6]-4:	C[5,6,6]-3:C[5]-3:C-3:	C[5,6,6](C[5,3x6]C[6,6]2O[5])(O[6,6]C[3x6])(C[5]C[5]C)	O[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6]2H)	C[5](C[5,6,6]C[5,3x6]O[6,6])(C[5]O[5]O)(CCO)	C[5,6,6](C[5,3x6]C[6,6]2O[5])(O[6,6]C[3x6])(C[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	O[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6]2H){2|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[5](C[5,6,6]C[5,3x6]O[6,6])(C[5]O[5]O)(CCO){3|C<4>}	131.5180	0.000	1	131.5180	0.000	1	131.5180	0.000	1	131.5180	0.000	1	131.9695	0.408	2	122.8551	11.569	40
818	622	818	0:SP2_SP2_SP2	C[5,6,6]	O[6,6]	C[5]	4:2:3:	3:4:	3:4:3:	C[5,3x6]-4:O[6,6]-2:C[5]-3:	C[5,6,6]-3:C[3x6]-4:	C[5,6,6]-3:C[5]-4:C[5]-3:	C[5,6,6](C[5,3x6]C[6,6]2O[5])(O[6,6]C[3x6])(C[5]C[5]2)	O[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6]2H)	C[5](C[5,6,6]C[5,3x6]O[6,6])(C[5]S[5]2C)(C[5]O[5]O)	C[5,6,6](C[5,3x6]C[6,6]2O[5])(O[6,6]C[3x6])(C[5]C[5]2){1|C<3>,1|O<1>,2|S<2>,3|C<4>,4|H<1>}	O[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6]2H){1|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[5](C[5,6,6]C[5,3x6]O[6,6])(C[5]S[5]2C)(C[5]O[5]O){5|C<4>}	132.4210	0.000	1	132.4210	0.000	1	132.4210	0.000	1	132.4210	0.000	1	131.9695	0.408	2	122.8551	11.569	40
818	622	818	0:SP2_SP2_SP2	C[5,6]	O[6]	C[5]	3:2:3:	4:3:	3:3:1:	C[5,6]-3:O[6]-2:C[5]-3:	C[4,5,6]-4:C[5,6]-3:	C[5,6]-3:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6])(O[6]C[4,5,6])(C[5]N[5]O)	O[6](C[4,5,6]C[4,5,6]C[4]C[5])(C[5,6]C[5,6]C[5])	C[5](C[5,6]C[5,6]O[6])(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6])(O[6]C[4,5,6])(C[5]N[5]O){2|C<3>,3|C<4>,3|H<1>}	O[6](C[4,5,6]C[4,5,6]C[4]C[5])(C[5,6]C[5,6]C[5]){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]O[6])(N[5]C[5]C)(O){2|C<4>,2|H<1>}	119.4450	0.000	1	119.4450	0.000	1	119.4450	0.000	1	119.7620	0.201	2	122.3753	7.457	38	122.8551	11.569	40
818	622	818	0:SP2_SP2_SP2	C[5,6]	O[6]	C[5]	3:2:3:	4:3:	3:3:1:	C[5,6]-3:O[6]-2:C[5]-3:	C[5,6]-4:C[5,6]-3:	C[5,6]-3:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6])(O[6]C[5,6])(C[5]N[5]O)	O[6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5,6]C[5])	C[5](C[5,6]C[5,6]O[6])(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6])(O[6]C[5,6])(C[5]N[5]O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O[6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5,6]C[5]){1|H<1>,1|N<3>,1|O<1>,4|C<4>}	C[5](C[5,6]C[5,6]O[6])(N[5]C[5]C)(O){2|C<4>,2|H<1>}	120.0790	0.000	1	120.0790	0.000	1	120.0790	0.000	1	119.7620	0.201	2	122.3753	7.457	38	122.8551	11.569	40
818	622	818	0:SP2_SP2_SP2	C[5,6]	O[6]	C[5]	3:3:2:	3:3:	3:2:2:	C[5,6]-3:C[5]-3:O[6]-2:	C[5,6]-3:C[6]-3:	C[5,6]-3:O[5]-2:N-2:	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]N)(O[6]C[6])	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]N)	C[5](C[5,6]C[5,6]O[6])(O[5]C[5])(NC[6])	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]N)(O[6]C[6]){1|C<3>,1|N<2>,1|O<1>,2|C<4>}	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]N){1|C<3>,1|C<4>,1|O<2>,2|N<2>}	C[5](C[5,6]C[5,6]O[6])(O[5]C[5])(NC[6]){1|C<3>,1|C<4>,1|O<1>}	121.7260	0.000	1	121.7260	0.000	1	121.7260	0.000	1	121.7260	0.000	1	122.3753	7.457	38	122.8551	11.569	40
818	622	818	0:SP2_SP2_SP2	C[5,6]	O[6]	C[5]	3:3:2:	3:3:	3:3:1:	C[5,6]-3:C[5]-3:O[6]-2:	C[5,6]-3:C[6]-3:	C[5,6]-3:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]O)(O[6]C[6])	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]C)	C[5](C[5,6]C[5,6]O[6])(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]O)(O[6]C[6]){2|C<3>,2|C<4>,3|H<1>}	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]C){1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[5](C[5,6]C[5,6]O[6])(N[5]C[5]C)(O){1|C<3>,1|C<4>,2|H<1>}	121.4140	0.000	1	120.6640	0.559	3	120.6877	0.290	6	120.6877	0.290	6	122.3753	7.457	38	122.8551	11.569	40
818	622	818	0:SP2_SP2_SP2	C[5,6]	O[6]	C[5]	3:3:2:	3:3:	3:3:1:	C[5,6]-3:C[5]-3:O[6]-2:	C[5,6]-3:C[6]-3:	C[5,6]-3:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]O)(O[6]C[6])	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]C)	C[5](C[5,6]C[5,6]O[6])(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]O)(O[6]C[6]){2|C<3>,2|C<4>,3|H<1>}	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]C){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]O[6])(N[5]C[5]C)(O){1|C<3>,1|C<4>,2|H<1>}	120.2890	0.523	2	120.6640	0.559	3	120.6877	0.290	6	120.6877	0.290	6	122.3753	7.457	38	122.8551	11.569	40
818	622	818	0:SP2_SP2_SP2	C[5,6]	O[6]	C[5]	3:3:2:	3:3:	3:3:1:	C[5,6]-3:C[5]-3:O[6]-2:	C[5,6]-3:C[6]-3:	C[5,6]-3:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]O)(O[6]C[6])	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]N)	C[5](C[5,6]C[5,6]O[6])(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]O)(O[6]C[6]){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]N){1|C<2>,1|N<3>,1|O<1>,2|C<4>}	C[5](C[5,6]C[5,6]O[6])(N[5]C[5]C)(O){1|C<3>,1|C<4>,2|H<1>}	120.4880	0.000	1	120.4880	0.000	1	120.6877	0.290	6	120.6877	0.290	6	122.3753	7.457	38	122.8551	11.569	40
818	622	818	0:SP2_SP2_SP2	C[5,6]	O[6]	C[5]	3:3:2:	3:3:	3:3:1:	C[5,6]-3:C[5]-3:O[6]-2:	C[5,6]-3:C[6]-3:	C[5,6]-3:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]O)(O[6]C[6])	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)	C[5](C[5,6]C[5,6]O[6])(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]O)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]O){1|H<1>,1|N<3>,1|O<1>,3|C<4>}	C[5](C[5,6]C[5,6]O[6])(N[5]C[5]C)(O){1|C<3>,1|C<4>,2|H<1>}	121.1780	0.000	1	120.8230	0.252	2	120.6877	0.290	6	120.6877	0.290	6	122.3753	7.457	38	122.8551	11.569	40
818	622	818	0:SP2_SP2_SP2	C[5,6]	O[6]	C[5]	3:3:2:	3:3:	3:3:1:	C[5,6]-3:C[5]-3:O[6]-2:	C[5,6]-3:C[6]-3:	C[5,6]-3:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]O)(O[6]C[6])	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)	C[5](C[5,6]C[5,6]O[6])(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]O)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]O){1|O<1>,2|N<3>,3|C<4>}	C[5](C[5,6]C[5,6]O[6])(N[5]C[5]C)(O){1|C<3>,1|C<4>,2|H<1>}	120.4680	0.000	1	120.8230	0.252	2	120.6877	0.290	6	120.6877	0.290	6	122.3753	7.457	38	122.8551	11.569	40
818	622	818	0:SP2_SP2_SP2	C[5,6]	O[6]	C[5]	3:3:2:	3:4:	3:2:1:	C[5,6]-3:C[5]-3:O[6]-2:	C[5,6]-3:C[6]-4:	C[5,6]-3:O[5]-2:O-1:	C[5,6](C[5,6]C[5]O[6])(C[5]O[5]O)(O[6]C[6])	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)	C[5](C[5,6]C[5,6]O[6])(O[5]C[5])(O)	C[5,6](C[5,6]C[5]O[6])(C[5]O[5]O)(O[6]C[6]){1|C<3>,1|C<4>,2|H<1>}	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH){1|C<3>,1|O<1>,2|H<1>,2|O<2>}	C[5](C[5,6]C[5,6]O[6])(O[5]C[5])(O){1|C<3>,1|C<4>,1|O<2>}	124.2260	0.000	1	124.2260	0.000	1	124.2260	0.000	1	124.2260	0.000	1	122.3753	7.457	38	122.8551	11.569	40
818	622	818	0:SP2_SP2_SP2	C[5,6]	O[6]	C[5]	3:3:2:	3:4:	3:2:3:	C[5,6]-3:C[5]-3:O[6]-2:	C[5,6]-3:C[6]-4:	C[5,6]-3:O[5]-2:C-3:	C[5,6](C[5,6]C[5]O[6])(C[5]O[5]C)(O[6]C[6])	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)	C[5](C[5,6]C[5,6]O[6])(O[5]C[5])(CCH)	C[5,6](C[5,6]C[5]O[6])(C[5]O[5]C)(O[6]C[6]){1|C<4>,1|O<1>,2|H<1>}	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH){2|C<3>,2|H<1>,2|O<2>}	C[5](C[5,6]C[5,6]O[6])(O[5]C[5])(CCH){1|C<4>,1|O<1>,1|O<2>}	125.5510	0.000	1	125.5510	0.000	1	125.5510	0.000	1	125.5510	0.000	1	122.3753	7.457	38	122.8551	11.569	40
818	622	818	0:SP2_SP2_SP2	C[5,6]	O[6]	C[5]	3:3:2:	3:4:	3:3:1:	C[5,6]-3:C[5]-3:O[6]-2:	C[5,6]-3:C[6]-4:	C[5,6]-3:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]O)(O[6]C[6])	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]HO)	C[5](C[5,6]C[5,6]O[6])(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]O)(O[6]C[6]){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]HO){1|H<1>,1|N<3>,1|O<1>,3|C<4>}	C[5](C[5,6]C[5,6]O[6])(N[5]C[5]C)(O){2|C<4>,2|H<1>}	120.0405	0.924	2	120.3073	0.641	3	120.3073	0.641	3	120.3073	0.641	3	122.3753	7.457	38	122.8551	11.569	40
818	622	818	0:SP2_SP2_SP2	C[5,6]	O[6]	C[5]	3:3:2:	3:4:	3:3:1:	C[5,6]-3:C[5]-3:O[6]-2:	C[5,6]-3:C[6]-4:	C[5,6]-3:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]O)(O[6]C[6])	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]HO)	C[5](C[5,6]C[5,6]O[6])(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]O)(O[6]C[6]){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]HO){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]O[6])(N[5]C[5]C)(O){2|C<4>,2|H<1>}	120.8410	0.000	1	120.3073	0.641	3	120.3073	0.641	3	120.3073	0.641	3	122.3753	7.457	38	122.8551	11.569	40
818	622	818	0:SP2_SP2_SP2	C[5,6]	O[6]	C[5]	3:3:2:	3:4:	3:3:3:	C[5,6]-3:C[5]-3:O[6]-2:	C[5,6]-3:C[6]-4:	C[5,6]-3:N[5]-3:C-3:	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]C)(O[6]C[6])	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)	C[5](C[5,6]C[5,6]O[6])(N[5]C[5]O)(CHH)	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]C)(O[6]C[6]){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[5](C[5,6]C[5,6]O[6])(N[5]C[5]O)(CHH){1|O<1>,2|C<4>}	121.1897	0.718	3	121.1897	0.516	3	121.1897	0.516	3	123.6305	24.175	4	122.3753	7.457	38	122.8551	11.569	40
818	622	818	0:SP2_SP2_SP2	C[5,6]	O[6]	C[5]	3:3:2:	3:4:	3:3:3:	N[5,6]-3:C[5]-3:O[6]-2:	C[5,6]-3:C[6]-4:	C[5,6]-3:C[6a]-3:N[5]-3:	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[6a]N[5])(O[6]C[6])	O[6](C[5,6]N[5,6]C[5])(C[6]C[6,6a]HH)	C[5](C[5,6]N[5,6]O[6])(C[6a]C[6a]2)(N[5]C[5]H)	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[6a]N[5])(O[6]C[6]){1|S<1>,3|H<1>,4|C<3>}	O[6](C[5,6]N[5,6]C[5])(C[6]C[6,6a]HH){1|N<3>,4|C<3>}	C[5](C[5,6]N[5,6]O[6])(C[6a]C[6a]2)(N[5]C[5]H){1|C<4>,1|S<1>,2|H<1>,3|C<3>}	130.9530	0.000	1	130.9530	0.000	1	130.9530	0.000	1	123.6305	24.175	4	122.3753	7.457	38	122.8551	11.569	40
818	622	818	0:SP2_SP2_SP2	C[5,6]	O[6]	C[5]	3:3:2:	3:4:	3:4:1:	C[5,6]-3:C[5]-3:O[6]-2:	C[5,6]-3:C[6]-4:	C[5,6]-3:C[5]-4:O-1:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O)(O[6]C[6])	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)	C[5](C[5,6]C[5,6]O[6])(C[5]C[5]BrC)(O)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O)(O[6]C[6]){1|Br<1>,1|C<3>,2|C<4>,5|H<1>}	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH){1|O<1>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]O[6])(C[5]C[5]BrC)(O){1|C<3>,1|H<1>,2|C<4>}	119.3410	0.000	1	119.3410	0.000	1	120.4233	0.461	6	120.4233	0.461	6	122.3753	7.457	38	122.8551	11.569	40
818	622	818	0:SP2_SP2_SP2	C[5,6]	O[6]	C[5]	3:3:2:	3:4:	3:4:1:	C[5,6]-3:C[5]-3:O[6]-2:	C[5,6]-3:C[6]-4:	C[5,6]-3:C[5]-4:O-1:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O)(O[6]C[6])	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)	C[5](C[5,6]C[5,6]O[6])(C[5]C[5]CH)(O)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O)(O[6]C[6]){1|C<3>,2|C<4>,6|H<1>}	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH){1|O<1>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]O[6])(C[5]C[5]CH)(O){1|C<3>,1|H<1>,2|C<4>}	121.0705	0.019	2	120.6398	0.224	5	120.4233	0.461	6	120.4233	0.461	6	122.3753	7.457	38	122.8551	11.569	40
818	622	818	0:SP2_SP2_SP2	C[5,6]	O[6]	C[5]	3:3:2:	3:4:	3:4:1:	C[5,6]-3:C[5]-3:O[6]-2:	C[5,6]-3:C[6]-4:	C[5,6]-3:C[5]-4:O-1:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O)(O[6]C[6])	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)	C[5](C[5,6]C[5,6]O[6])(C[5]C[5]CH)(O)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O)(O[6]C[6]){1|C<4>,2|C<3>,6|H<1>}	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH){1|O<1>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]O[6])(C[5]C[5]CH)(O){1|C<3>,1|H<1>,2|C<4>}	120.3527	0.373	3	120.6398	0.224	5	120.4233	0.461	6	120.4233	0.461	6	122.3753	7.457	38	122.8551	11.569	40
818	622	818	0:SP2_SP2_SP2	C[5,6]	O[6]	C[5]	3:3:2:	3:4:	3:4:2:	C[5,6]-3:C[5]-3:O[6]-2:	C[5,6]-3:C[6]-4:	C[5,6]-3:C[5]-4:N-2:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]N)(O[6]C[6])	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]CO)	C[5](C[5,6]C[5,6]O[6])(C[5]C[5]HH)(NO)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]N)(O[6]C[6]){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]CO){1|N<2>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]O[6])(C[5]C[5]HH)(NO){2|C<4>,2|H<1>}	120.4290	0.000	1	120.4290	0.000	1	120.4290	0.000	1	122.8873	4.809	3	122.3753	7.457	38	122.8551	11.569	40
818	622	818	0:SP2_SP2_SP2	C[5,6]	O[6]	C[5]	3:3:2:	3:4:	3:4:2:	C[5,6]-3:C[5]-3:O[6]-2:	C[5,6]-3:C[6]-4:	C[5,6]-3:S[5]-4:C-2:	C[5,6](C[5,6]C[5]O[6])(C[5]S[5]C)(O[6]C[6])	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)	C[5](C[5,6]C[5,6]O[6])(S[5]C[5]OO)(CC)	C[5,6](C[5,6]C[5]O[6])(C[5]S[5]C)(O[6]C[6]){1|C<2>,1|C<4>,2|H<1>,2|O<1>}	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH){1|C<2>,1|C<3>,1|O<2>,1|S<4>,2|H<1>}	C[5](C[5,6]C[5,6]O[6])(S[5]C[5]OO)(CC){1|C<2>,1|C<4>,1|O<2>}	124.1165	0.743	2	124.1165	0.552	2	124.1165	0.552	2	122.8873	4.809	3	122.3753	7.457	38	122.8551	11.569	40
818	622	818	0:SP2_SP2_SP2	C[5,6]	O[6]	C[5]	3:3:2:	3:4:	3:4:3:	C[5,6]-3:C[5]-3:O[6]-2:	C[5,6]-3:C[6]-4:	C[5,6]-3:S[5]-4:C-3:	C[5,6](C[5,6]C[5]O[6])(C[5]S[5]C)(O[6]C[6])	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)	C[5](C[5,6]C[5,6]O[6])(S[5]C[5]OO)(CCS)	C[5,6](C[5,6]C[5]O[6])(C[5]S[5]C)(O[6]C[6]){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH){1|O<2>,1|S<4>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]O[6])(S[5]C[5]OO)(CCS){1|C<3>,1|C<4>,1|O<2>}	124.5258	0.221	4	124.5258	0.049	4	124.5258	0.049	4	124.5258	0.049	4	122.3753	7.457	38	122.8551	11.569	40
818	622	818	0:SP2_SP2_SP2	C[5,6]	O[6]	C[5]	3:3:2:	3:4:	4:3:1:	C[5,6]-3:C[5]-3:O[6]-2:	C[5,6]-3:C[6]-4:	C[5,5]-4:C[5,6]-3:O-1:	C[5,6](C[5,6]C[5,5]C[6])(C[5]C[5,5]O)(O[6]C[6])	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]CC)	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]O[6])(O)	C[5,6](C[5,6]C[5,5]C[6])(C[5]C[5,5]O)(O[6]C[6]){3|H<1>,6|C<4>}	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]CC){1|H<1>,1|O<1>,4|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]O[6])(O){2|H<1>,5|C<4>}	121.0805	0.773	2	121.0805	0.597	2	121.0805	0.597	2	121.0805	0.597	2	122.3753	7.457	38	122.8551	11.569	40
818	622	818	0:SP2_SP2_SP2	C[5,6]	O[6]	C[5]	3:3:2:	4:3:	3:3:3:	C[5,6]-3:C[5]-3:O[6]-2:	Si[5,6]-4:C[5,6]-3:	C[5,6]-3:C[5]-3:C[6a]-3:	C[5,6](C[5,6]C[5,6,6]C[5])(C[5]C[6a]C[5])(O[6]Si[5,6])	O[6](Si[5,6]C[5,6,6]C[5]2)(C[5,6]C[5,6]C[5])	C[5](C[5,6]C[5,6]O[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,6](C[5,6]C[5,6,6]C[5])(C[5]C[6a]C[5])(O[6]Si[5,6]){4|C<3>,4|C<4>}	O[6](Si[5,6]C[5,6,6]C[5]2)(C[5,6]C[5,6]C[5]){4|Si<4>,1|H<1>,3|C<4>,4|C<3>}	C[5](C[5,6]C[5,6]O[6])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|Si<4>,2|H<1>,6|C<3>}	127.5840	0.000	1	127.5840	0.000	1	124.7580	15.973	2	124.7580	15.973	2	122.3753	7.457	38	122.8551	11.569	40
818	622	818	0:SP2_SP2_SP2	C[5,6]	O[6]	C[5]	3:3:2:	4:3:	3:3:3:	C[5,6]-3:C[5]-3:O[6]-2:	Si[5,6]-4:C[5,6]-3:	C[5,6]-3:C[5]-3:C[6a]-3:	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[6a]C[5])(O[6]Si[5,6])	O[6](Si[5,6]C[6,6a]C[5]2)(C[5,6]C[5,6]C[5])	C[5](C[5,6]C[5,6]O[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[6a]C[5])(O[6]Si[5,6]){1|H<1>,2|C<4>,6|C<3>}	O[6](Si[5,6]C[6,6a]C[5]2)(C[5,6]C[5,6]C[5]){4|Si<4>,3|C<4>,4|C<3>}	C[5](C[5,6]C[5,6]O[6])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|Si<4>,3|H<1>,6|C<3>}	121.9320	0.000	1	121.9320	0.000	1	124.7580	15.973	2	124.7580	15.973	2	122.3753	7.457	38	122.8551	11.569	40
818	622	818	0:SP2_SP2_SP2	C[5,6]	O[6]	C[5]	4:2:3:	3:3:	3:3:2:	C[5,6]-4:O[6]-2:C[5]-3:	C[6,6a]-3:C[5,6]-3:	C[5,6]-3:C[5]-3:C-2:	C[5,6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(C[5]C[5]C)	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])	C[5](C[5,6]C[5,6]O[6])(C[5]C[5]N)(CN)	C[5,6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(C[5]C[5]C){1|N<2>,1|O<2>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]){1|C<2>,1|C<4>,1|H<1>,5|C<3>}	C[5](C[5,6]C[5,6]O[6])(C[5]C[5]N)(CN){1|C<4>,3|C<3>}	124.5640	0.000	1	124.5640	0.000	1	124.5640	0.000	1	124.5640	0.000	1	122.3753	7.457	38	122.8551	11.569	40
818	622	818	0:SP2_SP2_SP2	C[5,6]	O[6]	C[5]	4:3:2:	3:4:	3:3:3:	C[5,6,6]-4:C[5]-3:O[6]-2:	C[5,6]-3:C[6]-4:	C[5,6]-3:C[5]-3:C-3:	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5]C[5]C)(O[6]C[6])	O[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]CC)	C[5](C[5,6]C[5,6,6]O[6])(C[5]O[5]O)(CCO)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5]C[5]C)(O[6]C[6]){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	O[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]CC){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6,6]O[6])(C[5]O[5]O)(CCO){3|C<4>}	128.1710	0.000	1	128.1710	0.000	1	128.1710	0.000	1	128.1710	0.000	1	122.3753	7.457	38	122.8551	11.569	40
818	622	818	0:SP2_SP2_SP2	C[5,6]	O[6]	C[5]	4:3:2:	3:4:	4:3:3:	C[5,5,6,6]-4:C[5]-3:O[6]-2:	C[5,6]-3:C[6]-4:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,6](C[5,5,6,6]C[3x5,6]C[5,6]C[6])(C[5]C[5,5,6]C)(O[6]C[6])	O[6](C[5,6]C[5,5,6,6]C[5])(C[6]C[6]CC)	C[5](C[5,5,6]C[3x5,6]C[5,6]O)(C[5,6]C[5,5,6,6]O[6])(CCO)	C[5,6](C[5,5,6,6]C[3x5,6]C[5,6]C[6])(C[5]C[5,5,6]C)(O[6]C[6]){1|C<3>,2|O<2>,4|H<1>,5|C<4>}	O[6](C[5,6]C[5,5,6,6]C[5])(C[6]C[6]CC){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5](C[5,5,6]C[3x5,6]C[5,6]O)(C[5,6]C[5,5,6,6]O[6])(CCO){1|C<3>,1|O<2>,6|C<4>}	125.9490	0.000	1	125.9490	0.000	1	125.9490	0.000	1	125.9490	0.000	1	122.3753	7.457	38	122.8551	11.569	40
818	622	818	6:SP2_SP2_SP2	C[5,6]	O[6]	C[5,6]	3:2:2:	3:4:	3:2:2:	C[5,6]-3:O[6]-2:S[5]-2:	C[5,6]-3:C[6]-4:	C[5,6]-3:O[6]-2:S[5]-2:	C[5,6](C[5,6]O[6]S[5])(O[6]C[6])(S[5]C[5])	O[6](C[5,6]C[5,6]S[5])(C[6]C[6]HH)	C[5,6](C[5,6]O[6]S[5])(O[6]C[6])(S[5]C[5])	C[5,6](C[5,6]O[6]S[5])(O[6]C[6])(S[5]C[5]){1|C<3>,1|C<4>,2|H<1>}	O[6](C[5,6]C[5,6]S[5])(C[6]C[6]HH){1|C<3>,1|O<2>,1|S<2>,2|H<1>}	C[5,6](C[5,6]O[6]S[5])(O[6]C[6])(S[5]C[5]){1|C<3>,1|C<4>,2|H<1>}	125.2934	1.365	175	125.2919	1.844	177	125.2919	1.844	177	125.2738	1.801	183	125.5402	2.634	251	125.5402	2.634	251
818	622	818	6:SP2_SP2_SP2	C[5,6]	O[6]	C[5,6]	3:2:2:	3:4:	3:2:2:	C[5,6]-3:O[6]-2:S[5]-2:	C[5,6]-3:C[6]-4:	C[5,6]-3:O[6]-2:S[5]-2:	C[5,6](C[5,6]O[6]S[5])(O[6]C[6])(S[5]C[5])	O[6](C[5,6]C[5,6]S[5])(C[6]C[6]HH)	C[5,6](C[5,6]O[6]S[5])(O[6]C[6])(S[5]C[5])	C[5,6](C[5,6]O[6]S[5])(O[6]C[6])(S[5]C[5]){1|C<4>,1|S<1>,2|H<1>}	O[6](C[5,6]C[5,6]S[5])(C[6]C[6]HH){1|C<3>,1|O<2>,1|S<2>,2|H<1>}	C[5,6](C[5,6]O[6]S[5])(O[6]C[6])(S[5]C[5]){1|C<4>,1|S<1>,2|H<1>}	125.1620	0.502	2	125.2919	1.844	177	125.2919	1.844	177	125.2738	1.801	183	125.5402	2.634	251	125.5402	2.634	251
818	622	818	6:SP2_SP2_SP2	C[5,6]	O[6]	C[5,6]	3:2:2:	3:4:	3:2:2:	C[5,6]-3:Se[5]-2:O[6]-2:	C[5,6]-3:C[6]-4:	C[5,6]-3:Se[5]-2:O[6]-2:	C[5,6](C[5,6]Se[5]O[6])(Se[5]C[5])(O[6]C[6])	O[6](C[5,6]C[5,6]Se[5])(C[6]C[6]HH)	C[5,6](C[5,6]Se[5]O[6])(Se[5]C[5])(O[6]C[6])	C[5,6](C[5,6]Se[5]O[6])(Se[5]C[5])(O[6]C[6]){1|C<3>,1|C<4>,2|H<1>}	O[6](C[5,6]C[5,6]Se[5])(C[6]C[6]HH){1|Se<2>,1|C<3>,1|O<2>,2|H<1>}	C[5,6](C[5,6]Se[5]O[6])(Se[5]C[5])(O[6]C[6]){1|C<3>,1|C<4>,2|H<1>}	124.7385	0.523	6	124.7385	0.274	6	124.7385	0.274	6	125.2738	1.801	183	125.5402	2.634	251	125.5402	2.634	251
818	622	818	6:SP2_SP2_SP2	C[5,6]	O[6]	C[5,6]	3:2:3:	4:3:	4:3:4:	C[5,6]-3:O[6]-2:C[5]-3:	C[4,5,6]-4:C[5,6]-3:	C[6]-4:C[5,6]-3:C[5]-4:	C[5,6](C[5,6]C[5]C[6])(O[6]C[4,5,6])(C[5]N[5]O)	O[6](C[4,5,6]C[4,5,6]C[4]C[5])(C[5,6]C[5,6]C[5])	C[5,6](C[6]C[4,5,6]C[6a]H)(C[5,6]C[5]O[6])(C[5]N[5]HH)	C[5,6](C[5,6]C[5]C[6])(O[6]C[4,5,6])(C[5]N[5]O){2|C<3>,3|C<4>,3|H<1>}	O[6](C[4,5,6]C[4,5,6]C[4]C[5])(C[5,6]C[5,6]C[5]){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[6]C[4,5,6]C[6a]H)(C[5,6]C[5]O[6])(C[5]N[5]HH){1|O<1>,1|O<2>,2|C<3>,3|C<4>}	129.6090	0.000	1	129.6090	0.000	1	129.6090	0.000	1	129.1925	0.347	2	125.5402	2.634	251	125.5402	2.634	251
818	622	818	6:SP2_SP2_SP2	C[5,6]	O[6]	C[5,6]	3:2:3:	4:3:	4:3:4:	C[5,6]-3:O[6]-2:C[5]-3:	C[5,6]-4:C[5,6]-3:	C[6]-4:C[5,6]-3:C[5]-4:	C[5,6](C[5,6]C[5]C[6])(O[6]C[5,6])(C[5]N[5]O)	O[6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5,6]C[5])	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]C[5]O[6])(C[5]N[5]HH)	C[5,6](C[5,6]C[5]C[6])(O[6]C[5,6])(C[5]N[5]O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O[6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5,6]C[5]){1|H<1>,1|N<3>,1|O<1>,4|C<4>}	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]C[5]O[6])(C[5]N[5]HH){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	128.7760	0.000	1	128.7760	0.000	1	128.7760	0.000	1	129.1925	0.347	2	125.5402	2.634	251	125.5402	2.634	251
818	622	818	6:SP2_SP2_SP2	C[5,6]	O[6]	C[5,6]	3:2:4:	3:3:	3:4:3:	C[5,6]-3:O[6]-2:C[5]-4:	C[6,6a]-3:C[5,6]-3:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(O[6]C[6,6a])(C[5]C[5]HH)	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])	C[5,6](C[5,6]C[5]O[6])(C[6]C[6,6a]HH)(C[5]C[5]O)	C[5,6](C[5,6]C[5]C[6])(O[6]C[6,6a])(C[5]C[5]HH){1|O<1>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]){2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]O[6])(C[6]C[6,6a]HH)(C[5]C[5]O){2|C<3>,4|H<1>}	125.8640	0.000	1	125.8640	0.000	1	126.5695	0.995	2	126.5695	0.995	2	125.5402	2.634	251	125.5402	2.634	251
818	622	818	6:SP2_SP2_SP2	C[5,6]	O[6]	C[5,6]	3:2:4:	3:3:	3:4:3:	C[5,6]-3:O[6]-2:C[5]-4:	C[6,6a]-3:C[5,6]-3:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(O[6]C[6,6a])(C[5]O[5]HH)	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])	C[5,6](C[5,6]C[5]O[6])(C[6]C[6,6a]CH)(C[5]O[5]O)	C[5,6](C[5,6]C[5]C[6])(O[6]C[6,6a])(C[5]O[5]HH){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]O[6])(C[6]C[6,6a]CH)(C[5]O[5]O){2|C<3>,2|H<1>}	127.2750	0.000	1	127.2750	0.000	1	126.5695	0.995	2	126.5695	0.995	2	125.5402	2.634	251	125.5402	2.634	251
818	622	818	6:SP2_SP2_SP2	C[5,6]	O[6]	C[5,6]	3:2:4:	3:3:	4:3:3:	C[5,6]-3:O[6]-2:C[5]-4:	C[5a,6]-3:C[5,6]-3:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6](C[5,6]C[5,6]C[5])(O[6]C[5a,6])(C[5]C[5]HH)	O[6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[5])	C[5,6](C[5,6]C[5a,6]C[5]2)(C[5,6]C[5]O[6])(C[5]C[5]O)	C[5,6](C[5,6]C[5,6]C[5])(O[6]C[5a,6])(C[5]C[5]HH){1|N<2>,1|O<1>,2|H<1>,3|C<3>}	O[6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[5]){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5a,6]C[5]2)(C[5,6]C[5]O[6])(C[5]C[5]O){2|O<1>,4|C<3>,4|H<1>}	126.7220	0.000	1	126.7220	0.000	1	126.7220	0.000	1	126.7220	0.000	1	125.5402	2.634	251	125.5402	2.634	251
818	622	818	6:SP2_SP2_SP2	C[5,6]	O[6]	C[5,6]	3:3:2:	3:3:	3:4:3:	C[5,6]-3:C[5]-3:O[6]-2:	C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]N)(O[6]C[6])	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]N)	C[5,6](C[5,6]C[5]O[6])(C[6]C[6]CC)(C[5]O[5]O)	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]N)(O[6]C[6]){1|C<3>,1|N<2>,1|O<1>,2|C<4>}	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]N){1|C<3>,1|C<4>,1|O<2>,2|N<2>}	C[5,6](C[5,6]C[5]O[6])(C[6]C[6]CC)(C[5]O[5]O){1|C<3>,2|N<2>}	127.2610	0.000	1	127.2610	0.000	1	127.2610	0.000	1	126.3086	0.477	5	125.5402	2.634	251	125.5402	2.634	251
818	622	818	6:SP2_SP2_SP2	C[5,6]	O[6]	C[5,6]	3:3:2:	3:3:	3:4:3:	C[5,6a]-3:C[5,6]-3:O[6]-2:	C[5,6]-3:C[6,6a]-3:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(O[6]C[6,6a])	O[6](C[5,6]C[5,6a]C[5,6])(C[6,6a]C[6,6a]C[6a])	C[5,6](C[5,6]C[5,6a]O[6])(C[6]C[6,6a]C[5]H)(C[5]C[5,6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(O[6]C[6,6a]){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	O[6](C[5,6]C[5,6a]C[5,6])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,5|C<3>}	C[5,6](C[5,6]C[5,6a]O[6])(C[6]C[6,6a]C[5]H)(C[5]C[5,6a]O){1|H<1>,6|C<3>}	126.5370	0.000	1	126.5370	0.000	1	126.5370	0.000	1	126.3086	0.477	5	125.5402	2.634	251	125.5402	2.634	251
818	622	818	6:SP2_SP2_SP2	C[5,6]	O[6]	C[5,6]	3:3:2:	3:3:	3:4:3:	C[5,6a]-3:C[5,6]-3:O[6]-2:	C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(O[6]C[6])	O[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]O)	C[5,6](C[5,6]C[5,6a]O[6])(C[6]C[6a]C[6]H)(C[5]C[5,6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(O[6]C[6]){1|C<4>,2|H<1>,2|O<1>,3|C<3>}	O[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]O){1|H<1>,2|C<4>,3|C<3>}	C[5,6](C[5,6]C[5,6a]O[6])(C[6]C[6a]C[6]H)(C[5]C[5,6a]O){1|C<4>,1|H<1>,5|C<3>}	126.1905	0.165	2	126.1905	0.027	2	126.1905	0.027	2	126.3086	0.477	5	125.5402	2.634	251	125.5402	2.634	251
818	622	818	6:SP2_SP2_SP2	C[5,6]	O[6]	C[5,6]	3:3:2:	3:3:	3:4:3:	C[5,6a]-3:C[5,6]-3:O[6]-2:	C[5,6]-3:C[6]-3:	C[6,6a]-3:C[5]-4:C[5,6]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(O[6]C[6])	O[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6,6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[5,6]C[5,6a]O[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(O[6]C[6]){3|H<1>,5|C<3>}	O[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6,6a]H){1|C<4>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[5,6]C[5,6a]O[6]){1|H<1>,7|C<3>}	125.3640	0.000	1	125.3640	0.000	1	125.3640	0.000	1	126.3086	0.477	5	125.5402	2.634	251	125.5402	2.634	251
818	622	818	6:SP2_SP2_SP2	C[5,6]	O[6]	C[5,6]	3:3:2:	3:3:	4:3:3:	C[5,6]-3:N[5]-3:O[6]-2:	C[5,6]-3:C[6]-3:	C[6]-4:C[5,6]-3:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(N[5]C[6a]N[5])(O[6]C[6])	O[6](C[5,6]C[5,6]N[5])(C[6]C[6]C)	C[5,6](C[6]C[6a]C[6]H)(C[5,6]N[5]O[6])(C[5]N[5]C)	C[5,6](C[5,6]C[5]C[6])(N[5]C[6a]N[5])(O[6]C[6]){2|C<4>,2|H<1>,4|C<3>}	O[6](C[5,6]C[5,6]N[5])(C[6]C[6]C){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6](C[6]C[6a]C[6]H)(C[5,6]N[5]O[6])(C[5]N[5]C){3|H<1>,4|C<3>}	128.3820	0.000	1	128.3820	0.000	1	128.3820	0.000	1	127.4785	1.633	2	125.5402	2.634	251	125.5402	2.634	251
818	622	818	6:SP2_SP2_SP2	C[5,6]	O[6]	C[5,6]	3:3:2:	3:3:	4:3:3:	C[5,6a]-3:C[5,6]-3:O[6]-2:	C[5,6]-3:C[6]-3:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(O[6]C[6])	O[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]N)	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[5,6a]O[6])(C[5]C[5,6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(O[6]C[6]){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	O[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]N){1|C<2>,1|C<4>,3|C<3>}	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[5,6a]O[6])(C[5]C[5,6a]O){1|C<2>,1|N<3>,1|O<1>,5|C<3>}	126.5750	0.000	1	126.5750	0.000	1	126.5750	0.000	1	127.4785	1.633	2	125.5402	2.634	251	125.5402	2.634	251
818	622	818	6:SP2_SP2_SP2	C[5,6]	O[6]	C[5,6]	3:3:2:	3:3:	4:3:4:	C[5,6]-3:C[5]-3:O[6]-2:	C[5,6]-3:C[6]-3:	C[6]-4:C[5,6]-3:C[5]-4:	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]O)(O[6]C[6])	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]C)	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]O[6])(C[5]N[5]HH)	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]O)(O[6]C[6]){2|C<3>,2|C<4>,3|H<1>}	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]C){1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]O[6])(C[5]N[5]HH){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	126.7240	0.000	1	127.4780	0.428	3	127.2613	0.265	6	127.2613	0.265	6	125.5402	2.634	251	125.5402	2.634	251
818	622	818	6:SP2_SP2_SP2	C[5,6]	O[6]	C[5,6]	3:3:2:	3:3:	4:3:4:	C[5,6]-3:C[5]-3:O[6]-2:	C[5,6]-3:C[6]-3:	C[6]-4:C[5,6]-3:C[5]-4:	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]O)(O[6]C[6])	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]C)	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]O[6])(C[5]N[5]HH)	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]O)(O[6]C[6]){2|C<3>,2|C<4>,3|H<1>}	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]C){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]O[6])(C[5]N[5]HH){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	127.8550	0.051	2	127.4780	0.428	3	127.2613	0.265	6	127.2613	0.265	6	125.5402	2.634	251	125.5402	2.634	251
818	622	818	6:SP2_SP2_SP2	C[5,6]	O[6]	C[5,6]	3:3:2:	3:3:	4:3:4:	C[5,6]-3:C[5]-3:O[6]-2:	C[5,6]-3:C[6]-3:	C[6]-4:C[5,6]-3:C[5]-4:	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]O)(O[6]C[6])	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]N)	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]O[6])(C[5]N[5]HH)	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]O)(O[6]C[6]){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]N){1|C<2>,1|N<3>,1|O<1>,2|C<4>}	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]O[6])(C[5]N[5]HH){1|C<2>,1|C<4>,1|O<1>,3|C<3>}	127.3870	0.000	1	127.3870	0.000	1	127.2613	0.265	6	127.2613	0.265	6	125.5402	2.634	251	125.5402	2.634	251
818	622	818	6:SP2_SP2_SP2	C[5,6]	O[6]	C[5,6]	3:3:2:	3:3:	4:3:4:	C[5,6]-3:C[5]-3:O[6]-2:	C[5,6]-3:C[6]-3:	C[6]-4:C[5,6]-3:C[5]-4:	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]O)(O[6]C[6])	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]O[6])(C[5]N[5]HH)	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]O)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]O){1|H<1>,1|N<3>,1|O<1>,3|C<4>}	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]O[6])(C[5]N[5]HH){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	126.9550	0.000	1	126.8735	0.013	2	127.2613	0.265	6	127.2613	0.265	6	125.5402	2.634	251	125.5402	2.634	251
818	622	818	6:SP2_SP2_SP2	C[5,6]	O[6]	C[5,6]	3:3:2:	3:3:	4:3:4:	C[5,6]-3:C[5]-3:O[6]-2:	C[5,6]-3:C[6]-3:	C[6]-4:C[5,6]-3:C[5]-4:	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]O)(O[6]C[6])	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]O[6])(C[5]N[5]HH)	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]O)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]O){1|O<1>,2|N<3>,3|C<4>}	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]O[6])(C[5]N[5]HH){1|N<3>,1|O<1>,2|C<4>,3|C<3>}	126.7920	0.000	1	126.8735	0.013	2	127.2613	0.265	6	127.2613	0.265	6	125.5402	2.634	251	125.5402	2.634	251
818	622	818	6:SP2_SP2_SP2	C[5,6]	O[6]	C[5,6]	3:3:2:	3:4:	3:3:2:	C[5,6]-3:C[5]-3:O[6]-2:	C[5,6]-3:C[6]-4:	C[5,6]-3:C[5]-3:O[6]-2:	C[5,6](C[5,6]C[5]O[6])(C[5]O[5]C)(O[6]C[6])	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)	C[5,6](C[5,6]C[5]O[6])(C[5]O[5]O)(O[6]C[6])	C[5,6](C[5,6]C[5]O[6])(C[5]O[5]C)(O[6]C[6]){1|C<4>,1|O<1>,2|H<1>}	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH){2|C<3>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[5]O[6])(C[5]O[5]O)(O[6]C[6]){1|C<3>,1|C<4>,2|H<1>}	125.7220	0.000	1	125.7220	0.000	1	122.6206	5.521	8	122.6206	5.521	8	125.5402	2.634	251	125.5402	2.634	251
818	622	818	6:SP2_SP2_SP2	C[5,6]	O[6]	C[5,6]	3:3:2:	3:4:	3:3:2:	C[5,6]-3:C[5]-3:O[6]-2:	C[5,6]-3:C[6]-4:	C[5,6]-3:C[5]-3:O[6]-2:	C[5,6](C[5,6]C[5]O[6])(C[5]O[5]O)(O[6]C[6])	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)	C[5,6](C[5,6]C[5]O[6])(C[5]O[5]C)(O[6]C[6])	C[5,6](C[5,6]C[5]O[6])(C[5]O[5]O)(O[6]C[6]){1|C<3>,1|C<4>,2|H<1>}	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH){1|C<3>,1|O<1>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[5]O[6])(C[5]O[5]C)(O[6]C[6]){1|C<4>,1|O<1>,2|H<1>}	127.0410	0.000	1	127.0410	0.000	1	122.6206	5.521	8	122.6206	5.521	8	125.5402	2.634	251	125.5402	2.634	251
818	622	818	6:SP2_SP2_SP2	C[5,6]	O[6]	C[5,6]	3:3:2:	3:4:	3:3:2:	C[5,6]-3:C[5]-3:O[6]-2:	C[5,6]-3:C[6]-4:	C[5,6]-3:C[5]-3:O[6]-2:	C[5,6](C[5,6]C[5]O[6])(C[5]S[5]C)(O[6]C[6])	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)	C[5,6](C[5,6]C[5]O[6])(C[5]S[5]C)(O[6]C[6])	C[5,6](C[5,6]C[5]O[6])(C[5]S[5]C)(O[6]C[6]){1|C<2>,1|C<4>,2|H<1>,2|O<1>}	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH){1|C<2>,1|C<3>,1|O<2>,1|S<4>,2|H<1>}	C[5,6](C[5,6]C[5]O[6])(C[5]S[5]C)(O[6]C[6]){1|C<2>,1|C<4>,2|H<1>,2|O<1>}	121.4740	0.014	2	121.3670	0.012	6	122.6206	5.521	8	122.6206	5.521	8	125.5402	2.634	251	125.5402	2.634	251
818	622	818	6:SP2_SP2_SP2	C[5,6]	O[6]	C[5,6]	3:3:2:	3:4:	3:3:2:	C[5,6]-3:C[5]-3:O[6]-2:	C[5,6]-3:C[6]-4:	C[5,6]-3:C[5]-3:O[6]-2:	C[5,6](C[5,6]C[5]O[6])(C[5]S[5]C)(O[6]C[6])	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)	C[5,6](C[5,6]C[5]O[6])(C[5]S[5]C)(O[6]C[6])	C[5,6](C[5,6]C[5]O[6])(C[5]S[5]C)(O[6]C[6]){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH){1|O<2>,1|S<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]O[6])(C[5]S[5]C)(O[6]C[6]){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	121.3135	0.094	4	121.3670	0.012	6	122.6206	5.521	8	122.6206	5.521	8	125.5402	2.634	251	125.5402	2.634	251
818	622	818	6:SP2_SP2_SP2	C[5,6]	O[6]	C[5,6]	3:3:2:	3:4:	3:4:3:	C[5,6]-3:C[5]-3:O[6]-2:	C[5,6]-3:C[6]-4:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]C)(O[6]C[6])	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)	C[5,6](C[5,6]C[5]O[6])(C[6]C[6]HO)(C[5]N[5]O)	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]C)(O[6]C[6]){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[5]O[6])(C[6]C[6]HO)(C[5]N[5]O){1|C<3>,2|C<4>,2|O<2>}	127.5560	0.320	3	127.5560	0.102	3	127.5560	0.102	3	126.4877	1.814	9	125.5402	2.634	251	125.5402	2.634	251
818	622	818	6:SP2_SP2_SP2	C[5,6]	O[6]	C[5,6]	3:3:2:	3:4:	3:4:3:	C[5,6a]-3:C[5,6]-3:O[6]-2:	C[5,6]-3:C[5,6]-4:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(O[6]C[5,6])	O[6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]O[5]H)	C[5,6](C[5,6]C[5,6a]O[6])(C[6]C[5,6]C[6a]H)(C[5]C[5,6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(O[6]C[5,6]){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	O[6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]O[5]H){1|H<1>,3|C<3>,3|C<4>}	C[5,6](C[5,6]C[5,6a]O[6])(C[6]C[5,6]C[6a]H)(C[5]C[5,6a]O){1|H<1>,2|C<4>,4|C<3>}	127.1170	0.000	1	127.1170	0.000	1	127.1170	0.000	1	126.4877	1.814	9	125.5402	2.634	251	125.5402	2.634	251
818	622	818	6:SP2_SP2_SP2	C[5,6]	O[6]	C[5,6]	3:3:2:	3:4:	3:4:3:	C[5,6a]-3:C[5,6]-3:O[6]-2:	C[5,6]-3:C[6,6]-4:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(O[6]C[6,6])	O[6](C[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]N[6]H)	C[5,6](C[5,6]C[5,6a]O[6])(C[6]C[6,6]C[6a]H)(C[5]C[5,6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(O[6]C[6,6]){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	O[6](C[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]N[6]H){1|H<1>,3|C<3>,4|C<4>}	C[5,6](C[5,6]C[5,6a]O[6])(C[6]C[6,6]C[6a]H)(C[5]C[5,6a]O){1|H<1>,2|C<4>,4|C<3>}	126.6920	0.580	2	126.6970	0.168	3	126.6970	0.168	3	126.4877	1.814	9	125.5402	2.634	251	125.5402	2.634	251
818	622	818	6:SP2_SP2_SP2	C[5,6]	O[6]	C[5,6]	3:3:2:	3:4:	3:4:3:	C[5,6a]-3:C[5,6]-3:O[6]-2:	C[5,6]-3:C[6,6]-4:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(O[6]C[6,6])	O[6](C[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]N[6]H)	C[5,6](C[5,6]C[5,6a]O[6])(C[6]C[6,6]C[6a]H)(C[5]C[5,6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(O[6]C[6,6]){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	O[6](C[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]N[6]H){1|H<1>,3|C<4>,4|C<3>}	C[5,6](C[5,6]C[5,6a]O[6])(C[6]C[6,6]C[6a]H)(C[5]C[5,6a]O){1|H<1>,2|C<4>,4|C<3>}	126.7070	0.000	1	126.6970	0.168	3	126.6970	0.168	3	126.4877	1.814	9	125.5402	2.634	251	125.5402	2.634	251
818	622	818	6:SP2_SP2_SP2	C[5,6]	O[6]	C[5,6]	3:3:2:	3:4:	3:4:3:	C[5,6a]-3:C[5,6]-3:O[6]-2:	C[5,6]-3:C[6]-4:	C[5,6]-3:S[5]-4:C[6]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(O[6]C[6])	O[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)	C[5,6](C[5,6]C[5,6a]O[6])(S[5]C[5,6a]OO)(C[6]C[6]C)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(O[6]C[6]){1|C<4>,2|H<1>,2|O<1>,4|C<3>}	O[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]CH){1|S<4>,4|C<3>}	C[5,6](C[5,6]C[5,6a]O[6])(S[5]C[5,6a]OO)(C[6]C[6]C){1|C<4>,3|C<3>}	124.2565	0.254	2	124.2565	0.064	2	124.2565	0.064	2	126.4877	1.814	9	125.5402	2.634	251	125.5402	2.634	251
818	622	818	6:SP2_SP2_SP2	C[5,6]	O[6]	C[5,6]	3:3:2:	3:4:	3:4:4:	C[5,6a]-3:C[5,6]-3:O[6]-2:	C[5,6]-3:C[6]-4:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(O[6]C[6])	O[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)	C[5,6](C[5,6]C[5,6a]O[6])(C[5]C[5,6a]CC)(C[6]C[6]HH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(O[6]C[6]){2|C<3>,3|C<4>,5|H<1>}	O[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH){2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6a]O[6])(C[5]C[5,6a]CC)(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>}	127.6320	0.000	1	127.6320	0.000	1	127.6320	0.000	1	127.6320	0.000	1	125.5402	2.634	251	125.5402	2.634	251
818	622	818	6:SP2_SP2_SP2	C[5,6]	O[6]	C[5,6]	3:3:2:	3:4:	4:3:3:	C[5,6a]-3:C[5,6]-3:O[6]-2:	C[5,6]-3:C[6]-4:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(O[6]C[6])	O[6](C[5,6]C[5,6a]C[5,6])(C[6]C[5,6]CC)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6a]O[6])(C[5]C[5,6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(O[6]C[6]){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	O[6](C[5,6]C[5,6a]C[5,6])(C[6]C[5,6]CC){1|H<1>,2|C<4>,3|C<3>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6a]O[6])(C[5]C[5,6a]O){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	127.2420	0.000	1	127.2420	0.000	1	127.2420	0.000	1	127.2420	0.000	1	125.5402	2.634	251	125.5402	2.634	251
818	622	818	6:SP2_SP2_SP2	C[5,6]	O[6]	C[5,6]	3:3:2:	3:4:	4:3:4:	C[5,6]-3:C[5]-3:O[6]-2:	C[5,6]-3:C[6]-4:	C[5,5]-4:C[5,6]-3:C[6]-4:	C[5,6](C[5,6]C[5,5]C[6])(C[5]C[5,5]O)(O[6]C[6])	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]CC)	C[5,6](C[5,5]C[5,5]2C)(C[5,6]C[5]O[6])(C[6]C[6]HH)	C[5,6](C[5,6]C[5,5]C[6])(C[5]C[5,5]O)(O[6]C[6]){3|H<1>,6|C<4>}	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]CC){1|H<1>,1|O<1>,4|C<4>}	C[5,6](C[5,5]C[5,5]2C)(C[5,6]C[5]O[6])(C[6]C[6]HH){1|O<1>,3|H<1>,5|C<4>}	127.4160	0.344	2	127.4160	0.118	2	127.4160	0.118	2	127.6637	0.449	12	125.5402	2.634	251	125.5402	2.634	251
818	622	818	6:SP2_SP2_SP2	C[5,6]	O[6]	C[5,6]	3:3:2:	3:4:	4:3:4:	C[5,6]-3:C[5]-3:O[6]-2:	C[5,6]-3:C[6]-4:	C[5]-4:C[5,6]-3:C[6]-4:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O)(O[6]C[6])	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5]O[6])(C[6]C[6]HH)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O)(O[6]C[6]){1|Br<1>,1|C<3>,2|C<4>,5|H<1>}	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH){1|O<1>,2|H<1>,3|C<4>}	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5]O[6])(C[6]C[6]HH){1|Br<1>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	127.3180	0.000	1	127.3268	0.007	6	127.3268	0.007	6	127.6637	0.449	12	125.5402	2.634	251	125.5402	2.634	251
818	622	818	6:SP2_SP2_SP2	C[5,6]	O[6]	C[5,6]	3:3:2:	3:4:	4:3:4:	C[5,6]-3:C[5]-3:O[6]-2:	C[5,6]-3:C[6]-4:	C[5]-4:C[5,6]-3:C[6]-4:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O)(O[6]C[6])	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5]O[6])(C[6]C[6]HH)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O)(O[6]C[6]){1|C<3>,2|C<4>,6|H<1>}	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH){1|O<1>,2|H<1>,3|C<4>}	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5]O[6])(C[6]C[6]HH){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	127.2415	0.090	2	127.3268	0.007	6	127.3268	0.007	6	127.6637	0.449	12	125.5402	2.634	251	125.5402	2.634	251
818	622	818	6:SP2_SP2_SP2	C[5,6]	O[6]	C[5,6]	3:3:2:	3:4:	4:3:4:	C[5,6]-3:C[5]-3:O[6]-2:	C[5,6]-3:C[6]-4:	C[5]-4:C[5,6]-3:C[6]-4:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O)(O[6]C[6])	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5]O[6])(C[6]C[6]HH)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O)(O[6]C[6]){1|C<4>,2|C<3>,6|H<1>}	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH){1|O<1>,2|H<1>,3|C<4>}	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5]O[6])(C[6]C[6]HH){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	127.3867	0.034	3	127.3268	0.007	6	127.3268	0.007	6	127.6637	0.449	12	125.5402	2.634	251	125.5402	2.634	251
818	622	818	6:SP2_SP2_SP2	C[5,6]	O[6]	C[5,6]	3:3:2:	3:4:	4:3:4:	C[5,6]-3:C[5]-3:O[6]-2:	C[5,6]-3:C[6]-4:	C[6]-4:C[5,6]-3:C[5]-4:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]N)(O[6]C[6])	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]CO)	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]O[6])(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]N)(O[6]C[6]){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]CO){1|N<2>,2|H<1>,3|C<4>}	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]O[6])(C[5]C[5]HH){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	127.0330	0.000	1	127.0330	0.000	1	128.2930	0.800	4	127.6637	0.449	12	125.5402	2.634	251	125.5402	2.634	251
818	622	818	6:SP2_SP2_SP2	C[5,6]	O[6]	C[5,6]	3:3:2:	3:4:	4:3:4:	C[5,6]-3:C[5]-3:O[6]-2:	C[5,6]-3:C[6]-4:	C[6]-4:C[5,6]-3:C[5]-4:	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]O)(O[6]C[6])	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]HO)	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]O[6])(C[5]N[5]HH)	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]O)(O[6]C[6]){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]HO){1|H<1>,1|N<3>,1|O<1>,3|C<4>}	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]O[6])(C[5]N[5]HH){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	128.8195	0.463	2	128.7130	0.141	3	128.2930	0.800	4	127.6637	0.449	12	125.5402	2.634	251	125.5402	2.634	251
818	622	818	6:SP2_SP2_SP2	C[5,6]	O[6]	C[5,6]	3:3:2:	3:4:	4:3:4:	C[5,6]-3:C[5]-3:O[6]-2:	C[5,6]-3:C[6]-4:	C[6]-4:C[5,6]-3:C[5]-4:	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]O)(O[6]C[6])	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]HO)	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]O[6])(C[5]N[5]HH)	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]O)(O[6]C[6]){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]HO){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]O[6])(C[5]N[5]HH){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	128.5000	0.000	1	128.7130	0.141	3	128.2930	0.800	4	127.6637	0.449	12	125.5402	2.634	251	125.5402	2.634	251
818	622	818	6:SP2_SP2_SP2	C[5,6]	O[6]	C[5,6]	3:3:2:	4:3:	3:3:2:	C[5,6a]-3:C[5,6]-3:O[6]-2:	Ga[5,6]-4:C[5,6]-3:	C[5,6a]-3:C[5,6]-3:O[6]-2:	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]O[6])(O[6]Ga[5,6])	O[6](Ga[5,6]Ga[5,6]N[5]2)(C[5,6]C[5,6a]C[5,6])	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]O[6])(O[6]Ga[5,6])	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]O[6])(O[6]Ga[5,6]){1|Ga<4>,1|H<1>,2|N<3>,3|C<3>}	O[6](Ga[5,6]Ga[5,6]N[5]2)(C[5,6]C[5,6a]C[5,6]){1|O<2>,2|N<3>,7|C<3>}	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]O[6])(O[6]Ga[5,6]){1|Ga<4>,1|H<1>,2|N<3>,3|C<3>}	130.3000	0.000	1	130.3000	0.000	1	130.3000	0.000	1	130.3000	0.000	1	125.5402	2.634	251	125.5402	2.634	251
818	622	818	6:SP2_SP2_SP2	C[5,6]	O[6]	C[5,6]	3:3:2:	4:3:	3:3:3:	C[5,6]-3:C[5]-3:O[6]-2:	Si[5,6]-4:C[5,6]-3:	C[5,6,6]-3:C[5,6]-3:C[5]-3:	C[5,6](C[5,6]C[5,6,6]C[5])(C[5]C[6a]C[5])(O[6]Si[5,6])	O[6](Si[5,6]C[5,6,6]C[5]2)(C[5,6]C[5,6]C[5])	C[5,6](C[5,6,6]C[5,5,6]C[5,6,6])(C[5,6]C[5]O[6])(C[5]C[6a]C[5])	C[5,6](C[5,6]C[5,6,6]C[5])(C[5]C[6a]C[5])(O[6]Si[5,6]){4|C<3>,4|C<4>}	O[6](Si[5,6]C[5,6,6]C[5]2)(C[5,6]C[5,6]C[5]){4|Si<4>,1|H<1>,3|C<4>,4|C<3>}	C[5,6](C[5,6,6]C[5,5,6]C[5,6,6])(C[5,6]C[5]O[6])(C[5]C[6a]C[5]){2|Si<4>,1|C<4>,2|H<1>,5|C<3>}	121.9840	0.000	1	121.9840	0.000	1	121.9840	0.000	1	121.9840	0.000	1	125.5402	2.634	251	125.5402	2.634	251
818	622	818	6:SP2_SP2_SP2	C[5,6]	O[6]	C[5,6]	3:3:2:	4:3:	3:4:3:	C[5,6]-3:C[5]-3:O[6]-2:	Si[5,6]-4:C[5,6]-3:	C[6,6a]-3:C[5]-4:C[5,6]-3:	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[6a]C[5])(O[6]Si[5,6])	O[6](Si[5,6]C[6,6a]C[5]2)(C[5,6]C[5,6]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,6]C[5]O[6])	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[6a]C[5])(O[6]Si[5,6]){1|H<1>,2|C<4>,6|C<3>}	O[6](Si[5,6]C[6,6a]C[5]2)(C[5,6]C[5,6]C[5]){4|Si<4>,3|C<4>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,6]C[5]O[6]){1|Si<4>,1|H<1>,6|C<3>}	126.8590	0.000	1	126.8590	0.000	1	126.8590	0.000	1	126.8590	0.000	1	125.5402	2.634	251	125.5402	2.634	251
818	622	818	6:SP2_SP2_SP2	C[5,6]	O[6]	C[5,6]	3:3:2:	4:3:	4:3:3:	C[5,6a]-3:C[5,6]-3:O[6]-2:	C[5,6,6]-4:C[5,6]-3:	C[5,6,6]-4:C[5,6]-3:C[5]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6,6]C[5])(O[6]C[5,6,6])	O[6](C[5,6,6]C[5,6,6]C[5,6a]C[5,6])(C[5,6]C[5,6a]C[5,6])	C[5,6](C[5,6,6]C[5,6,6]C[5,6a]C[5,6])(C[5,6]C[5,6a]O[6])(C[5]C[5,6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6,6]C[5])(O[6]C[5,6,6]){1|H<1>,1|O<1>,3|C<4>,4|C<3>}	O[6](C[5,6,6]C[5,6,6]C[5,6a]C[5,6])(C[5,6]C[5,6a]C[5,6]){1|H<1>,2|C<4>,8|C<3>}	C[5,6](C[5,6,6]C[5,6,6]C[5,6a]C[5,6])(C[5,6]C[5,6a]O[6])(C[5]C[5,6a]O){1|H<1>,2|C<4>,7|C<3>}	127.2380	0.528	2	127.2380	0.278	2	127.2380	0.278	2	127.2380	0.278	2	125.5402	2.634	251	125.5402	2.634	251
818	622	818	6:SP2_SP2_SP2	C[5,6]	O[6]	C[5,6]	3:4:2:	3:3:	3:4:3:	C[5,6]-3:C[5]-4:O[6]-2:	C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(O[6]C[6])	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)	C[5,6](C[5,6]C[5]O[6])(C[6]C[5]C[6]H)(C[5]C[5]O)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(O[6]C[6]){1|O<1>,2|C<3>,4|H<1>}	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]H){1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]O[6])(C[6]C[5]C[6]H)(C[5]C[5]O){1|C<2>,1|C<3>,1|S<2>,5|H<1>}	125.2240	0.000	1	125.2240	0.000	1	125.2240	0.000	1	125.2240	0.000	1	125.5402	2.634	251	125.5402	2.634	251
818	622	818	6:SP2_SP2_SP2	C[5,6]	O[6]	C[5,6]	3:4:2:	3:3:	4:3:4:	C[5,6]-3:C[5]-4:O[6]-2:	C[5,6]-3:C[6]-3:	C[5,6]-4:C[5,6]-3:S[5]-4:	C[5,6](C[5,6]C[5,6]S[5])(C[5]C[5]HH)(O[6]C[6])	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]N)	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[5]O[6])(S[5]C[5]OO)	C[5,6](C[5,6]C[5,6]S[5])(C[5]C[5]HH)(O[6]C[6]){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]N){1|C<2>,1|S<4>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[5]O[6])(S[5]C[5]OO){1|C<2>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	124.6020	0.000	1	124.6020	0.000	1	124.3880	0.092	2	124.4188	0.520	4	125.5402	2.634	251	125.5402	2.634	251
818	622	818	6:SP2_SP2_SP2	C[5,6]	O[6]	C[5,6]	3:4:2:	3:3:	4:3:4:	C[5,6]-3:C[5]-4:O[6]-2:	C[5,6]-3:C[6]-3:	C[5,6]-4:C[5,6]-3:S[5]-4:	C[5,6](C[5,6]C[5,6]S[5])(C[5]C[5]HH)(O[6]C[6])	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]N)	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[5]O[6])(S[5]C[5]OO)	C[5,6](C[5,6]C[5,6]S[5])(C[5]C[5]HH)(O[6]C[6]){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]N){1|C<2>,1|S<4>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[5]O[6])(S[5]C[5]OO){1|C<2>,2|O<1>,3|C<3>,4|H<1>}	124.1740	0.000	1	124.1740	0.000	1	124.3880	0.092	2	124.4188	0.520	4	125.5402	2.634	251	125.5402	2.634	251
818	622	818	6:SP2_SP2_SP2	C[5,6]	O[6]	C[5,6]	3:4:2:	3:3:	4:3:4:	C[5,6]-3:C[5]-4:O[6]-2:	C[5,6]-3:C[6]-3:	C[6]-4:C[5,6]-3:S[5]-4:	C[5,6](C[5,6]C[6]S[5])(C[5]C[5]HH)(O[6]C[6])	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]N)	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]O[6])(S[5]C[5]OO)	C[5,6](C[5,6]C[6]S[5])(C[5]C[5]HH)(O[6]C[6]){1|N<3>,2|C<3>,2|O<1>,3|H<1>}	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]N){1|C<2>,1|S<4>,2|C<4>,2|H<1>}	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]O[6])(S[5]C[5]OO){1|C<2>,3|C<3>,4|H<1>}	124.4495	1.210	2	124.4495	1.464	2	124.4495	1.464	2	124.4188	0.520	4	125.5402	2.634	251	125.5402	2.634	251
818	622	818	6:SP2_SP2_SP2	C[5,6]	O[6]	C[5,6]	3:4:2:	4:3:	3:3:4:	C[5,6]-3:C[5]-4:O[6]-2:	C[5,6]-4:C[5,6]-3:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(O[6]C[5,6])	O[6](C[5,6]C[3x5,6]N[5,6]H)(C[5,6]C[5,6]C[5])	C[5,6](C[5,6]C[5]O[6])(C[6]N[5,6]O)(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(O[6]C[5,6]){1|N<3>,1|O<1>,3|C<4>,3|H<1>}	O[6](C[5,6]C[3x5,6]N[5,6]H)(C[5,6]C[5,6]C[5]){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]O[6])(C[6]N[5,6]O)(C[5]C[5]HH){2|H<1>,4|C<4>}	124.8110	0.000	1	124.8110	0.000	1	124.8110	0.000	1	124.8110	0.000	1	125.5402	2.634	251	125.5402	2.634	251
818	622	818	6:SP2_SP2_SP2	C[5,6]	O[6]	C[5,6]	3:4:2:	4:3:	3:4:3:	C[5,6]-3:C[5]-4:O[6]-2:	C[3x6]-4:C[5,6]-3:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(O[6]C[3x6])	O[6](C[3x6]C[4,6,6]C[6,6]C[6])(C[5,6]C[5,6]C[5])	C[5,6](C[5,6]C[5]O[6])(C[6]C[6]CH)(C[5]C[5]O)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(O[6]C[3x6]){1|C<3>,1|H<1>,1|O<1>,1|O<2>,4|C<4>}	O[6](C[3x6]C[4,6,6]C[6,6]C[6])(C[5,6]C[5,6]C[5]){1|C<3>,5|C<4>,7|H<1>}	C[5,6](C[5,6]C[5]O[6])(C[6]C[6]CH)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	126.2113	0.710	4	126.2113	0.504	4	126.2113	0.504	4	126.2113	0.504	4	125.5402	2.634	251	125.5402	2.634	251
818	622	818	6:SP2_SP2_SP2	C[5,6]	O[6]	C[5,6]	3:4:2:	4:3:	4:3:3:	C[5,6]-3:C[5]-4:O[6]-2:	C[5,6]-4:C[5,6]-3:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5]HH)(O[6]C[5,6])	O[6](C[5,6]C[5,6]C[5]O[5])(C[5,6]C[5,6]C[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]O[6])(C[5]C[5]O)	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5]HH)(O[6]C[5,6]){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	O[6](C[5,6]C[5,6]C[5]O[5])(C[5,6]C[5,6]C[5]){2|C<3>,4|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]O[6])(C[5]C[5]O){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	125.5250	0.247	2	125.5250	0.061	2	125.5250	0.061	2	125.5250	0.061	2	125.5402	2.634	251	125.5402	2.634	251
818	622	818	6:SP2_SP2_SP2	C[5,6]	O[6]	C[5,6]	4:3:2:	3:4:	3:3:4:	C[5]-4:C[5,6]-3:O[6]-2:	C[5,6]-3:C[6]-4:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6](C[5]C[5,6a]C[6a]C)(C[5,6]C[5,6a]C[6])(O[6]C[6])	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]O[6])(C[6]C[6]HH)	C[5,6](C[5]C[5,6a]C[6a]C)(C[5,6]C[5,6a]C[6])(O[6]C[6]){1|C<4>,4|C<3>,4|H<1>}	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH){2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]O[6])(C[6]C[6]HH){2|C<4>,3|C<3>,3|H<1>}	126.8825	0.360	2	126.8825	0.130	2	126.8825	0.130	2	126.8825	0.130	2	125.5402	2.634	251	125.5402	2.634	251
818	622	891	0:SP2_SP2_SP2	C[5,6]	O[6]	S[5]	3:2:2:	3:4:	3:3:	C[5,6]-3:O[6]-2:S[5]-2:	C[5,6]-3:C[6]-4:	C[5,6]-3:C[5]-3:	C[5,6](C[5,6]O[6]S[5])(O[6]C[6])(S[5]C[5])	O[6](C[5,6]C[5,6]S[5])(C[6]C[6]HH)	S[5](C[5,6]C[5,6]O[6])(C[5]C[5]S[5])	C[5,6](C[5,6]O[6]S[5])(O[6]C[6])(S[5]C[5]){1|C<3>,1|C<4>,2|H<1>}	O[6](C[5,6]C[5,6]S[5])(C[6]C[6]HH){1|C<3>,1|O<2>,1|S<2>,2|H<1>}	S[5](C[5,6]C[5,6]O[6])(C[5]C[5]S[5]){1|C<4>,1|O<2>,2|S<2>}	116.8146	1.184	139	116.8076	1.332	149	116.8215	1.521	173	116.8215	1.521	173	116.8215	1.521	173	116.8215	1.521	173
818	622	891	0:SP2_SP2_SP2	C[5,6]	O[6]	S[5]	3:2:2:	3:4:	3:3:	C[5,6]-3:O[6]-2:S[5]-2:	C[5,6]-3:C[6]-4:	C[5,6]-3:C[5]-3:	C[5,6](C[5,6]O[6]S[5])(O[6]C[6])(S[5]C[5])	O[6](C[5,6]C[5,6]S[5])(C[6]C[6]HH)	S[5](C[5,6]C[5,6]O[6])(C[5]C[5]S[5])	C[5,6](C[5,6]O[6]S[5])(O[6]C[6])(S[5]C[5]){1|C<3>,1|C<4>,2|H<1>}	O[6](C[5,6]C[5,6]S[5])(C[6]C[6]HH){1|C<3>,1|O<2>,1|S<2>,2|H<1>}	S[5](C[5,6]C[5,6]O[6])(C[5]C[5]S[5]){2|Se<2>,1|C<4>,1|O<2>}	116.7096	0.613	10	116.8076	1.332	149	116.8215	1.521	173	116.8215	1.521	173	116.8215	1.521	173	116.8215	1.521	173
818	622	891	0:SP2_SP2_SP2	C[5,6]	O[6]	S[5]	3:2:2:	3:4:	3:3:	C[5,6]-3:O[6]-2:S[5]-2:	C[5,6]-3:C[6]-4:	C[5,6]-3:C[5]-3:	C[5,6](C[5,6]O[6]S[5])(O[6]C[6])(S[5]C[5])	O[6](C[5,6]C[5,6]S[5])(C[6]C[6]HH)	S[5](C[5,6]C[5,6]O[6])(C[5]C[5a]S[5])	C[5,6](C[5,6]O[6]S[5])(O[6]C[6])(S[5]C[5]){1|C<3>,1|C<4>,2|H<1>}	O[6](C[5,6]C[5,6]S[5])(C[6]C[6]HH){1|C<3>,1|O<2>,1|S<2>,2|H<1>}	S[5](C[5,6]C[5,6]O[6])(C[5]C[5a]S[5]){1|C<4>,1|O<2>,2|S<2>}	116.7574	1.771	20	116.7574	3.136	20	116.8215	1.521	173	116.8215	1.521	173	116.8215	1.521	173	116.8215	1.521	173
818	622	891	0:SP2_SP2_SP2	C[5,6]	O[6]	S[5]	3:2:2:	3:4:	3:3:	C[5,6]-3:O[6]-2:S[5]-2:	C[5,6]-3:C[6]-4:	C[5,6]-3:C[5]-3:	C[5,6](C[5,6]O[6]S[5])(O[6]C[6])(S[5]C[5])	O[6](C[5,6]C[5,6]S[5])(C[6]C[6]HH)	S[5](C[5,6]C[5,6]O[6])(C[5]C[6]S[5])	C[5,6](C[5,6]O[6]S[5])(O[6]C[6])(S[5]C[5]){1|C<3>,1|C<4>,2|H<1>}	O[6](C[5,6]C[5,6]S[5])(C[6]C[6]HH){1|C<3>,1|O<2>,1|S<2>,2|H<1>}	S[5](C[5,6]C[5,6]O[6])(C[5]C[6]S[5]){1|C<4>,1|O<2>,2|C<3>}	117.0955	0.764	2	117.0955	0.584	2	116.8215	1.521	173	116.8215	1.521	173	116.8215	1.521	173	116.8215	1.521	173
818	622	891	0:SP2_SP2_SP2	C[5,6]	O[6]	S[5]	3:2:2:	3:4:	3:3:	C[5,6]-3:O[6]-2:S[5]-2:	C[5,6]-3:C[6]-4:	C[5,6]-3:C[5]-3:	C[5,6](C[5,6]O[6]S[5])(O[6]C[6])(S[5]C[5])	O[6](C[5,6]C[5,6]S[5])(C[6]C[6]HH)	S[5](C[5,6]C[5,6]O[6])(C[5]S[5]S)	C[5,6](C[5,6]O[6]S[5])(O[6]C[6])(S[5]C[5]){1|C<4>,1|S<1>,2|H<1>}	O[6](C[5,6]C[5,6]S[5])(C[6]C[6]HH){1|C<3>,1|O<2>,1|S<2>,2|H<1>}	S[5](C[5,6]C[5,6]O[6])(C[5]S[5]S){1|C<4>,1|O<2>}	118.2290	0.349	2	118.2290	0.122	2	116.8215	1.521	173	116.8215	1.521	173	116.8215	1.521	173	116.8215	1.521	173
818	622	976	0:SP2_SP2_SP2	C[5,6]	O[6]	O[5]	3:2:2:	5:3:	3:3:	N[5,6]-3:O[5]-2:O[6]-2:	Si[5,6]-5:C[5,6]-3:	C[5,6a]-3:C[5,6]-3:	C[5,6](N[5,6]C[5,6a]C[6])(O[5]C[5,6a])(O[6]Si[5,6])	O[6](Si[5,6]N[5,6]C[6a]N[5a]O[5])(C[5,6]N[5,6]O[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]O[6])	C[5,6](N[5,6]C[5,6a]C[6])(O[5]C[5,6a])(O[6]Si[5,6]){1|O<1>,1|O<2>,2|N<3>,3|C<3>}	O[6](Si[5,6]N[5,6]C[6a]N[5a]O[5])(C[5,6]N[5,6]O[5]){9|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]O[6]){1|Si<5>,1|H<1>,3|C<3>}	121.4025	0.194	2	121.4025	0.038	2	121.4025	0.038	2	121.4025	0.038	2	115.1312	38.986	6	115.1312	38.986	6
818	622	976	0:SP2_SP2_SP2	C[5,6]	O[6]	O[5]	3:2:2:	6:3:	3:3:	N[5,6]-3:O[5]-2:O[6]-2:	Si[5,6]-6:C[5,6]-3:	C[5,6a]-3:C[5,6]-3:	C[5,6](N[5,6]C[5,6a]C[6])(O[5]C[5,6a])(O[6]Si[5,6])	O[6](Si[5,6]N[5,6]C[6a]N[5a]N[5]O[5])(C[5,6]N[5,6]O[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]O[6])	C[5,6](N[5,6]C[5,6a]C[6])(O[5]C[5,6a])(O[6]Si[5,6]){1|O<1>,1|O<2>,3|C<3>,3|N<3>}	O[6](Si[5,6]N[5,6]C[6a]N[5a]N[5]O[5])(C[5,6]N[5,6]O[5]){11|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]O[6]){1|Si<6>,1|H<1>,3|C<3>}	119.5900	0.000	1	119.5900	0.000	1	119.5900	0.000	1	119.5900	0.000	1	115.1312	38.986	6	115.1312	38.986	6
818	622	976	0:SP2_SP2_SP2	C[5,6]	O[6]	O[5]	4:2:2:	3:4:	3:4:	C[5,6]-4:O[5]-2:O[6]-2:	C[5,6]-3:C[6]-4:	C[5,6]-3:C[5]-4:	C[5,6](C[5,6]C[5]C[6]H)(O[5]C[5])(O[6]C[6])	O[6](C[5,6]C[5,6]O[5])(C[6]C[6]CH)	O[5](C[5,6]C[5,6]O[6])(C[5]C[5]CC)	C[5,6](C[5,6]C[5]C[6]H)(O[5]C[5])(O[6]C[6]){1|O<2>,4|C<4>,4|H<1>}	O[6](C[5,6]C[5,6]O[5])(C[6]C[6]CH){1|O<2>,2|H<1>,3|C<4>}	O[5](C[5,6]C[5,6]O[6])(C[5]C[5]CC){2|C<4>,3|H<1>}	109.4640	0.000	3	109.4640	0.000	3	109.4640	0.000	3	109.4640	0.000	3	115.1312	38.986	6	115.1312	38.986	6
818	622	997	0:SP2_SP2_SP3	C[5,6]	O[6]	Se[5]	3:2:2:	3:4:	3:3:	C[5,6]-3:Se[5]-2:O[6]-2:	C[5,6]-3:C[6]-4:	C[5,6]-3:C[5]-3:	C[5,6](C[5,6]Se[5]O[6])(Se[5]C[5])(O[6]C[6])	O[6](C[5,6]C[5,6]Se[5])(C[6]C[6]HH)	Se[5](C[5,6]C[5,6]O[6])(C[5]Se[5]C[5])	C[5,6](C[5,6]Se[5]O[6])(Se[5]C[5])(O[6]C[6]){1|C<3>,1|C<4>,2|H<1>}	O[6](C[5,6]C[5,6]Se[5])(C[6]C[6]HH){1|Se<2>,1|C<3>,1|O<2>,2|H<1>}	Se[5](C[5,6]C[5,6]O[6])(C[5]Se[5]C[5]){2|Se<2>,1|C<4>,1|O<2>}	115.3145	0.627	6	115.3145	0.393	6	115.3145	0.393	6	115.3145	0.393	6	115.3145	0.393	6	115.3145	0.393	6
818	643	727	0:SP2_SP2_SP2	C[5,6]	C[6,6a]	C[5,5a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[6,6a]-3:C[5,6]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,6]-3:C[5,5a]-3:	C[5,6](C[5,5a]C[5a,6a]C[5,5a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])	C[6,6a](C[5,6]C[5,5a]C[5,6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6]C[6,6a]C[5,6])(C[5,5a]N[5a]C[5])	C[5,6](C[5,5a]C[5a,6a]C[5,5a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]){2|N<3>,4|H<1>,5|C<3>}	C[6,6a](C[5,6]C[5,5a]C[5,6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<4>,2|C<4>,2|H<1>,3|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6]C[6,6a]C[5,6])(C[5,5a]N[5a]C[5]){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	131.4150	0.000	1	131.4150	0.000	1	131.4150	0.000	1	131.4150	0.000	1	131.4150	0.000	1	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])	C[6,6a](C[5,6]C[5,6a]C[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6,6a](C[5,6]C[5,6a]C[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[5,6a](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	129.4550	0.000	1	129.4550	0.000	1	130.4590	2.016	2	130.4590	2.016	2	135.1535	14.308	6	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])	C[6,6a](C[5,6]C[5,6a]C[5,6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]){1|N<3>,5|C<3>,5|H<1>}	C[6,6a](C[5,6]C[5,6a]C[5,6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<4>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	131.4630	0.000	1	131.4630	0.000	1	130.4590	2.016	2	130.4590	2.016	2	135.1535	14.308	6	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5,6]	C[6,6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:3:	C[6,6a]-3:C[5,6a]-3:C[5,6]-4:	C[5a,6a]-3:C[6,6a]-3:C[5,6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[5a,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[5]C)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[5a,6a]C[5,6])(C[5,6]C[5,6a]C[5,6])	C[5,6a](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[5a,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[5]C){1|C<4>,1|H<1>,1|N<2>,1|O<2>,5|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[5a,6a]C[5,6])(C[5,6]C[5,6a]C[5,6]){1|O<2>,1|S<2>,2|C<4>,2|N<2>,4|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	137.5007	1.066	4	137.5007	1.136	4	137.5007	1.136	4	137.5007	1.136	4	135.1535	14.308	6	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,5a]	3:3:2:	3:3:3:	3:3:3:	C[5,5a]-3:C[6a]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	N[5,5a,6a]-3:C[5a,6a]-3:C[5]-3:	C[5](C[5,5a]N[5,5a,6a]C[5a,6a])(C[6a]C[6a]2)(O[5]C[5,6a])	C[6a](C[5]C[5,5a]O[5])(C[6a]C[6a]H)2	C[5,5a](N[5,5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(C[5]C[6a]O[5])	C[5](C[5,5a]N[5,5a,6a]C[5a,6a])(C[6a]C[6a]2)(O[5]C[5,6a]){2|H<1>,6|C<3>}	C[6a](C[5]C[5,5a]O[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5,5a](N[5,5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(C[5]C[6a]O[5]){1|H<1>,6|C<3>}	134.5790	0.000	1	134.5790	0.000	1	134.5790	0.000	1	130.5197	12.517	3	127.4384	7.960	51	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,5a]	3:3:2:	3:3:3:	3:3:3:	C[5,5a]-3:C[6a]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	N[5,5a]-3:C[5]-3:C[5a]-3:	C[5](C[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(O[5]Si[5,5])	C[6a](C[5]C[5,5a]O[5])(C[6a]C[6a]H)2	C[5,5a](N[5,5a]Si[5,5]C[5a])(C[5]C[6a]O[5])(C[5a]C[5a]C)	C[5](C[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(O[5]Si[5,5]){1|C<4>,1|N<3>,1|O<2>,2|H<1>,2|N<2>,4|C<3>}	C[6a](C[5]C[5,5a]O[5])(C[6a]C[6a]H)2{1|Si<6>,1|N<3>,2|C<3>,2|H<1>}	C[5,5a](N[5,5a]Si[5,5]C[5a])(C[5]C[6a]O[5])(C[5a]C[5a]C){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|N<2>}	128.4900	0.563	2	128.4900	0.317	2	128.4900	0.317	2	130.5197	12.517	3	127.4384	7.960	51	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,5a]	3:3:3:	3:3:3:	3:3:2:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5]-3:S[5a]-2:	C[5](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,5a]C[5,6a])(C[6a]C[6a]C)2	C[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6a])(S[5a]C[5a])	C[5](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|H<1>,2|C<4>,6|C<3>}	C[6a](C[5]C[5,5a]C[5,6a])(C[6a]C[6a]C)2{1|S<2>,2|H<1>,4|C<3>}	C[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6a])(S[5a]C[5a]){1|H<1>,5|C<3>}	124.9150	0.000	1	124.9150	0.000	1	126.4504	2.721	5	124.9039	8.831	7	127.4384	7.960	51	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,5a]	3:3:3:	3:3:3:	3:3:2:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5]-3:S[5a]-2:	C[5](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,5a]C[5,6a])(C[6a]C[6a]C)2	C[5,5a](C[5,5a]C[5a,6a]C[5,6a])(C[5]C[5,6a]C[6a])(S[5a]C[5a,6a])	C[5](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|H<1>,2|C<4>,6|C<3>}	C[6a](C[5]C[5,5a]C[5,6a])(C[6a]C[6a]C)2{1|S<2>,2|H<1>,4|C<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5,6a])(C[5]C[5,6a]C[6a])(S[5a]C[5a,6a]){6|C<3>}	128.1310	0.000	2	128.1310	0.000	2	126.4504	2.721	5	124.9039	8.831	7	127.4384	7.960	51	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,5a]	3:3:3:	3:3:3:	3:3:2:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5]-3:S[5a]-2:	C[5](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,5a]C[5,6a])(C[6a]C[6a]F)2	C[5,5a](C[5,5a]C[5a,6a]C[5,6a])(C[5]C[5,6a]C[6a])(S[5a]C[5a,6a])	C[5](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|H<1>,2|F<1>,6|C<3>}	C[6a](C[5]C[5,5a]C[5,6a])(C[6a]C[6a]F)2{1|S<2>,2|F<1>,4|C<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5,6a])(C[5]C[5,6a]C[6a])(S[5a]C[5a,6a]){6|C<3>}	125.5375	1.100	2	125.5375	1.209	2	126.4504	2.721	5	124.9039	8.831	7	127.4384	7.960	51	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,5a]	3:3:3:	3:3:3:	3:3:2:	C[5,5a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5]-3:S[5a]-2:	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[6a]S[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,5a]C[5])(C[6a]C[6a]H)2	C[5,5a](C[5,5a]C[5a]S[5])(C[5]C[6a]C[5])(S[5a]C[5a])	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[6a]S[5])(C[6a]C[6a]2){2|H<1>,2|O<1>,6|C<3>}	C[6a](C[5]C[5,5a]C[5])(C[6a]C[6a]H)2{1|S<2>,1|S<4>,2|H<1>,3|C<3>}	C[5,5a](C[5,5a]C[5a]S[5])(C[5]C[6a]C[5])(S[5a]C[5a]){2|O<1>,5|C<3>}	121.0375	0.499	2	121.0375	0.249	2	121.0375	0.249	2	124.9039	8.831	7	127.4384	7.960	51	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,5a]	3:3:3:	3:3:3:	3:3:3:	C[5,5]-3:C[5,5a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5,5a]-3:C[5]-3:	C[5](C[5,5]C[5,6a]C[5,5])(C[5,5a]C[5,5a]2)(C[6a]C[6a]2)	C[6a](C[5]C[5,5a]C[5,5])(C[6a]C[6a]H)2	C[5,5a](C[5,5a]C[5,5a]C[5,6a])(C[5,5a]C[5,5]C[5a])(C[5]C[5,5]C[6a])	C[5](C[5,5]C[5,6a]C[5,5])(C[5,5a]C[5,5a]2)(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](C[5]C[5,5a]C[5,5])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5,5a](C[5,5a]C[5,5a]C[5,6a])(C[5,5a]C[5,5]C[5a])(C[5]C[5,5]C[6a]){8|C<3>}	126.7180	0.000	1	126.7180	0.000	1	126.7180	0.000	1	127.6559	6.272	40	127.4384	7.960	51	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,5a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[5,5a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5a,5a]-3:C[5,5a]-3:C[5]-3:	C[5](C[5,5a]C[5a,5a]C[5,5a])(C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)	C[6a](C[5]C[5,5a]2)(C[6a]C[6a]H)2	C[5,5a](C[5a,5a]C[5a,5a]N[5a])(C[5,5a]C[5,5a]C[5a])(C[5]C[5,5a]C[6a])	C[5](C[5,5a]C[5a,5a]C[5,5a])(C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2){2|H<1>,2|N<3>,6|C<3>}	C[6a](C[5]C[5,5a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5,5a](C[5a,5a]C[5a,5a]N[5a])(C[5,5a]C[5,5a]C[5a])(C[5]C[5,5a]C[6a]){1|C<4>,1|N<3>,6|C<3>}	127.4540	0.000	1	127.4540	0.000	1	127.4540	0.000	1	127.6559	6.272	40	127.4384	7.960	51	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,5a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[5,5a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5](C[5,5a]C[5a,5a]C[5,5a])(C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)	C[6a](C[5]C[5,5a]2)(C[6a]C[6a]H)2	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]N[5a])(C[5]C[5,5a]C[6a])	C[5](C[5,5a]C[5a,5a]C[5,5a])(C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2){2|H<1>,2|N<3>,6|C<3>}	C[6a](C[5]C[5,5a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]N[5a])(C[5]C[5,5a]C[6a]){1|C<4>,1|H<1>,6|C<3>}	125.1740	0.000	1	125.1740	0.000	1	125.1740	0.000	1	127.6559	6.272	40	127.4384	7.960	51	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,5a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,5a]C[5,6a])(C[6a]C[6a]C)2	C[5,5a](C[5,5a]C[5,6a]S[5a])(C[5]C[5,6a]C[6a])(C[5a]C[5a]H)	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|S<2>,2|C<4>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,5a]C[5,6a])(C[6a]C[6a]C)2{2|H<1>,5|C<3>}	C[5,5a](C[5,5a]C[5,6a]S[5a])(C[5]C[5,6a]C[6a])(C[5a]C[5a]H){1|C<4>,4|C<3>}	122.6830	0.000	1	123.4483	0.439	3	123.4483	0.439	3	127.6559	6.272	40	127.4384	7.960	51	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,5a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,5a]C[5,6a])(C[6a]C[6a]C)2	C[5,5a](C[5,5a]C[5,6a]S[5a])(C[5]C[5,6a]C[6a])(C[5a]C[5a]H)	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|S<2>,2|C<4>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,5a]C[5,6a])(C[6a]C[6a]C)2{2|H<1>,5|C<3>}	C[5,5a](C[5,5a]C[5,6a]S[5a])(C[5]C[5,6a]C[6a])(C[5a]C[5a]H){1|H<1>,4|C<3>}	123.8310	0.000	2	123.4483	0.439	3	123.4483	0.439	3	127.6559	6.272	40	127.4384	7.960	51	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,5a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,5a]C[5,6a])(C[6a]C[6a]C)2	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6a])	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|H<1>,2|C<4>,7|C<3>}	C[6a](C[5]C[5,5a]C[5,6a])(C[6a]C[6a]C)2{2|H<1>,5|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6a]){1|H<1>,7|C<3>}	128.0985	1.613	4	128.0985	2.600	4	127.9362	2.145	12	127.6559	6.272	40	127.4384	7.960	51	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,5a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,5a]C[5,6a])(C[6a]C[6a]C)2	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]S[5a])(C[5]C[5,6a]C[6a])	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|S<2>,2|C<4>,6|C<3>}	C[6a](C[5]C[5,5a]C[5,6a])(C[6a]C[6a]C)2{2|H<1>,5|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]S[5a])(C[5]C[5,6a]C[6a]){1|H<1>,6|C<3>}	126.1410	0.000	2	126.1410	0.000	2	127.9362	2.145	12	127.6559	6.272	40	127.4384	7.960	51	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,5a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,5a]C[5,6a])(C[6a]C[6a]F)2	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]S[5a])(C[5]C[5,6a]C[6a])	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|S<2>,2|F<1>,6|C<3>}	C[6a](C[5]C[5,5a]C[5,6a])(C[6a]C[6a]F)2{2|F<1>,5|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]S[5a])(C[5]C[5,6a]C[6a]){1|H<1>,6|C<3>}	126.7770	0.000	1	126.7770	0.000	1	127.9362	2.145	12	127.6559	6.272	40	127.4384	7.960	51	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,5a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,5a]C[5,6a])(C[6a]C[6a]H)2	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6a])	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a](C[5]C[5,5a]C[5,6a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6a]){1|B<3>,1|F<1>,6|C<3>}	130.2900	0.000	1	128.7562	1.136	5	127.9362	2.145	12	127.6559	6.272	40	127.4384	7.960	51	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,5a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,5a]C[5,6a])(C[6a]C[6a]H)2	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6a])	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a](C[5]C[5,5a]C[5,6a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6a]){1|H<1>,7|C<3>}	128.3727	0.731	4	128.7562	1.136	5	127.9362	2.145	12	127.6559	6.272	40	127.4384	7.960	51	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,5a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,5a]C[5])(C[6a]C[6a]H)2	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)(C[5]C[6a]C[5])	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[6a]C[5])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a](C[5]C[5,5a]C[5])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)(C[5]C[6a]C[5]){6|C<3>}	123.8470	0.000	1	123.8470	0.000	1	123.8470	0.000	1	127.6559	6.272	40	127.4384	7.960	51	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,5a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5,5]H)(C[6a]C[6a]2)	C[6a](C[5]C[5,5a]C[5])(C[6a]C[6a]H)2	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]N[5a])(C[5]C[6a]C[5])	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5,5]H)(C[6a]C[6a]2){1|N<3>,2|H<1>,6|C<3>}	C[6a](C[5]C[5,5a]C[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]N[5a])(C[5]C[6a]C[5]){1|C<4>,2|H<1>,6|C<3>}	125.5600	0.000	1	125.5600	0.000	1	127.1700	11.747	3	127.6559	6.272	40	127.4384	7.960	51	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,5a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,5a]C[5])(C[6a]C[6a]H)2	C[5,5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5,5a]C[5a]C[5])(C[5]C[6a]C[5])	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](C[5]C[5,5a]C[5])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5,5a]C[5a]C[5])(C[5]C[6a]C[5]){1|H<1>,7|C<3>}	131.1060	0.000	1	131.1060	0.000	1	127.1700	11.747	3	127.6559	6.272	40	127.4384	7.960	51	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,5a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,5a]C[5])(C[6a]C[6a]H)2	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[6a]C[5])	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,1|N<3>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,5a]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[6a]C[5]){1|C<4>,1|S<4>,2|H<1>,5|C<3>}	124.8440	0.000	1	124.8440	0.000	1	127.1700	11.747	3	127.6559	6.272	40	127.4384	7.960	51	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,5a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,5a]-3:N[5a]-3:C[5]-3:	C[5](C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(C[5]N[5]O)	C[6a](C[5]C[5,5a]C[5])(C[6a]C[6a]H)2	C[5,5a](C[5,5a]C[5a]N[5])(N[5a]C[5a]C[6a])(C[5]C[6a]C[5])	C[5](C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(C[5]N[5]O){2|H<1>,6|C<3>}	C[6a](C[5]C[5,5a]C[5])(C[6a]C[6a]H)2{1|O<1>,2|C<3>,2|H<1>,2|N<3>}	C[5,5a](C[5,5a]C[5a]N[5])(N[5a]C[5a]C[6a])(C[5]C[6a]C[5]){2|O<1>,6|C<3>}	131.8970	0.000	1	131.8970	0.000	1	131.8970	0.000	1	127.6559	6.272	40	127.4384	7.960	51	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,5a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]C[5,5a]C[5])(C[6a]C[6a]H)2	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[6a]C[5])	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]C[5]H){1|N<3>,2|H<1>,6|C<3>}	C[6a](C[5]C[5,5a]C[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[6a]C[5]){1|C<4>,2|H<1>,6|C<3>}	127.1240	0.000	1	127.1240	0.000	1	129.6545	12.807	2	127.6559	6.272	40	127.4384	7.960	51	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,5a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]O[5]O)	C[6a](C[5]C[5,5a]C[5])(C[6a]C[6a]H)2	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]O[5])(C[5]C[6a]C[5])	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]O[5]O){2|H<1>,5|C<3>}	C[6a](C[5]C[5,5a]C[5])(C[6a]C[6a]H)2{1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]O[5])(C[5]C[6a]C[5]){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	132.1850	0.000	1	132.1850	0.000	1	129.6545	12.807	2	127.6559	6.272	40	127.4384	7.960	51	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,5a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(N[5]C[5]C)	C[6a](C[5]C[5,5a]N[5])(C[6a]C[6a]F)(C[6a]C[6a]H)	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[6a]N[5])(C[5a]N[5a]O)	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(N[5]C[5]C){1|F<1>,1|H<1>,1|N<3>,2|O<1>,3|C<3>}	C[6a](C[5]C[5,5a]N[5])(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[6a]N[5])(C[5a]N[5a]O){1|O<1>,2|C<4>,3|C<3>}	127.1020	0.000	1	127.1020	0.000	1	128.7221	3.107	14	127.6559	6.272	40	127.4384	7.960	51	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,5a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(N[5]C[5]C)	C[6a](C[5]C[5,5a]N[5])(C[6a]C[6a]H)2	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[6a]N[5])(C[5a]N[5a]O)	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(N[5]C[5]C){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	C[6a](C[5]C[5,5a]N[5])(C[6a]C[6a]H)2{1|C<4>,1|F<1>,1|H<1>,4|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[6a]N[5])(C[5a]N[5a]O){1|O<1>,2|C<4>,3|C<3>}	127.8990	0.000	1	128.2066	0.817	11	128.7221	3.107	14	127.6559	6.272	40	127.4384	7.960	51	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,5a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(N[5]C[5]C)	C[6a](C[5]C[5,5a]N[5])(C[6a]C[6a]H)2	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[6a]N[5])(C[5a]N[5a]O)	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(N[5]C[5]C){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	C[6a](C[5]C[5,5a]N[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[6a]N[5])(C[5a]N[5a]O){1|O<1>,2|C<4>,3|C<3>}	128.0592	0.807	9	128.2066	0.817	11	128.7221	3.107	14	127.6559	6.272	40	127.4384	7.960	51	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,5a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(N[5]C[5]C)	C[6a](C[5]C[5,5a]N[5])(C[6a]C[6a]H)2	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[6a]N[5])(C[5a]N[5a]O)	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(N[5]C[5]C){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	C[6a](C[5]C[5,5a]N[5])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[6a]N[5])(C[5a]N[5a]O){1|O<1>,5|C<3>}	129.8410	0.000	1	128.2066	0.817	11	128.7221	3.107	14	127.6559	6.272	40	127.4384	7.960	51	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,5a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(N[5]C[5]H)	C[6a](C[5]C[5,5a]N[5])(C[6a]C[6a]H)2	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[6a]N[5])(C[5a]N[5a]O)	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(N[5]C[5]H){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	C[6a](C[5]C[5,5a]N[5])(C[6a]C[6a]H)2{1|C<2>,2|H<1>,4|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[6a]N[5])(C[5a]N[5a]O){1|O<1>,2|H<1>,3|C<3>}	132.5860	0.000	1	132.3675	0.095	2	128.7221	3.107	14	127.6559	6.272	40	127.4384	7.960	51	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,5a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(N[5]C[5]H)	C[6a](C[5]C[5,5a]N[5])(C[6a]C[6a]H)2	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[6a]N[5])(C[5a]N[5a]O)	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(N[5]C[5]H){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	C[6a](C[5]C[5,5a]N[5])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[6a]N[5])(C[5a]N[5a]O){1|H<1>,1|O<1>,4|C<3>}	132.1490	0.000	1	132.3675	0.095	2	128.7221	3.107	14	127.6559	6.272	40	127.4384	7.960	51	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,5a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,5a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)	C[6a](C[5]C[5,5a]C[5,6a])(C[6a]C[6a]C)2	C[5,5a](C[5,5a]C[5a,6a]C[5,6a])(C[5a]C[5a,6a]C[6a])(C[5]C[5,6a]C[6a])	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2){2|C<4>,8|C<3>}	C[6a](C[5]C[5,5a]C[5,6a])(C[6a]C[6a]C)2{2|H<1>,5|C<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5,6a])(C[5a]C[5a,6a]C[6a])(C[5]C[5,6a]C[6a]){8|C<3>}	122.6360	0.000	1	122.6360	0.000	1	122.6360	0.000	1	127.6559	6.272	40	127.4384	7.960	51	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,5a]	3:4:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[5,6]-4:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	N[5,5a,6a]-3:C[5a,6a]-3:C[5]-3:	C[5](C[5,5a]N[5,5a,6a]C[5a,6a])(C[5,6]C[5,6a]C[6]2)(C[6a]C[6a]2)	C[6a](C[5]C[5,5a]C[5,6])(C[6a]C[6a]H)2	C[5,5a](N[5,5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6]C[6a])	C[5](C[5,5a]N[5,5a,6a]C[5a,6a])(C[5,6]C[5,6a]C[6]2)(C[6a]C[6a]2){4|H<1>,8|C<3>}	C[6a](C[5]C[5,5a]C[5,6])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,5|C<3>}	C[5,5a](N[5,5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6]C[6a]){1|H<1>,8|C<3>}	127.2360	0.000	1	127.2360	0.000	1	127.2360	0.000	1	127.2360	0.000	1	127.4384	7.960	51	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:2:	3:3:2:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:N[6a]-2:	N[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]N[5,6a]C[6a])(C[6a]C[6a]N[6a])(N[5]S[5])	C[6a](C[5]C[5,6a]N[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[5,6a](N[5,6a]C[6a]S[5])(C[5]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6a]N[5,6a]C[6a])(C[6a]C[6a]N[6a])(N[5]S[5]){2|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]N[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,1|S<2>,2|C<3>,2|H<1>}	C[5,6a](N[5,6a]C[6a]S[5])(C[5]C[6a]N[5])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	126.1780	0.000	1	126.1780	0.000	1	126.1780	0.000	1	126.1780	0.000	1	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5,6])	C[6a](C[5]C[5,6a]N[5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5,6]){3|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]N[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	127.2780	0.000	2	127.2780	0.000	2	125.2344	4.804	7	125.2344	4.804	7	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5,6])	C[6a](C[5]C[5,6a]N[5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a,6a]C[5,6])(C[5]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5,6]){3|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]N[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6])(C[5]C[6a]N[5])(C[6a]C[6a]H){1|H<1>,6|C<3>}	125.5220	0.000	2	125.5220	0.000	2	125.2344	4.804	7	125.2344	4.804	7	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]S[5])	C[6a](C[5]C[5,6a]N[5])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]S[5]){1|C<4>,1|H<1>,2|O<1>,5|C<3>}	C[6a](C[5]C[5,6a]N[5])(C[6a]C[6a]2)(C[6a]C[6a]C){1|S<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]N[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,3|C<3>}	120.8810	0.000	1	120.8810	0.000	1	125.2344	4.804	7	125.2344	4.804	7	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]S[5])	C[6a](C[5]C[5,6a]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]S[5]){1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[6a](C[5]C[5,6a]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|S<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]N[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,3|C<3>}	124.2710	0.000	1	124.2710	0.000	1	125.2344	4.804	7	125.2344	4.804	7	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]S[5])	C[6a](C[5]C[5,6a]N[5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]S[5]){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]N[5])(C[6a]C[6a]H)2{1|S<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	125.8890	0.000	1	125.8890	0.000	1	125.2344	4.804	7	125.2344	4.804	7	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:N[6a]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]C[5]H)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]C[5]H){2|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	126.6930	0.000	1	126.6930	0.000	1	126.3663	0.080	3	126.3663	0.080	3	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:N[6a]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]N[5]H)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]C)(N[6a]C[6a])	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]N[5]H){1|C<2>,1|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]C)(N[6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	126.2030	0.000	2	126.2030	0.000	2	126.3663	0.080	3	126.3663	0.080	3	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5]-3:N[6a]-2:	C[5](C[5,6a]C[5,6a,6a]N[6a])(C[5]C[5,6a]S)(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5])(N[6a]C[6a,6a])	C[5](C[5,6a]C[5,6a,6a]N[6a])(C[5]C[5,6a]S)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|N<2>,1|S<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5])(N[6a]C[6a,6a]){1|S<4>,6|C<3>}	123.3380	0.000	1	123.3380	0.000	1	123.3380	0.000	1	125.0777	2.329	3	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:N[6a]-2:	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[3,5]H)(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[3,5]N[6a])(C[5]C[6a]C[5])(N[6a]C[6a])	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[3,5]H)(C[6a]C[6a]2){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[3,5]N[6a])(C[5]C[6a]C[5])(N[6a]C[6a]){2|C<4>,2|H<1>,3|C<3>}	125.9475	0.343	2	125.9475	0.118	2	125.9475	0.118	2	125.0777	2.329	3	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5,5])(C[6a]C[6a]C)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|H<1>,2|C<4>,7|C<3>}	C[6a](C[5]C[5,6a]C[5,5])(C[6a]C[6a]C)2{2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,5|C<3>}	125.5640	0.000	1	125.5640	0.000	1	123.3510	6.418	4	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5,5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){2|C<4>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[5,5])(C[6a]C[6a]H)2{1|H<1>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	125.4830	0.000	1	125.4830	0.000	1	123.3510	6.418	4	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]P[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5,5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]P[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]P[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|O<2>,3|H<1>,8|C<3>}	C[6a](C[5]C[5,6a]C[5,5])(C[6a]C[6a]H)2{1|P<5>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]P[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,6|C<3>}	121.1785	0.609	2	121.1785	0.371	2	123.3510	6.418	4	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,5a]C[5,6a])(C[6a]C[6a]C)2	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[5,6a]H)	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|S<2>,2|C<4>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,5a]C[5,6a])(C[6a]C[6a]C)2{2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[5,6a]H){1|H<1>,1|S<2>,5|C<3>}	130.0510	0.000	1	130.0510	0.000	1	126.3372	3.398	19	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,5a]C[5,6a])(C[6a]C[6a]C)2	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[5a,6a]H)	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|S<2>,2|C<4>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,5a]C[5,6a])(C[6a]C[6a]C)2{2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[5a,6a]H){1|H<1>,1|S<2>,5|C<3>}	128.5190	0.000	2	128.5190	0.000	2	126.3372	3.398	19	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,5a]C[5,6a])(C[6a]C[6a]C)2	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[5,6a]H)	C[5](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|H<1>,2|C<4>,6|C<3>}	C[6a](C[5]C[5,5a]C[5,6a])(C[6a]C[6a]C)2{1|S<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[5,6a]H){1|H<1>,1|S<2>,5|C<3>}	125.8270	0.000	2	125.8270	0.000	2	126.3372	3.398	19	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,5a]C[5,6a])(C[6a]C[6a]C)2	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[5a,6a]H)	C[5](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|H<1>,2|C<4>,6|C<3>}	C[6a](C[5]C[5,5a]C[5,6a])(C[6a]C[6a]C)2{1|S<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[5a,6a]H){1|H<1>,1|S<2>,5|C<3>}	128.8510	0.000	1	128.8510	0.000	1	126.3372	3.398	19	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,5a]C[5,6a])(C[6a]C[6a]F)2	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[5a,6a]H)	C[5](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|H<1>,2|F<1>,6|C<3>}	C[6a](C[5]C[5,5a]C[5,6a])(C[6a]C[6a]F)2{1|S<2>,2|F<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[5a,6a]H){1|H<1>,1|S<2>,5|C<3>}	128.5080	0.000	1	128.5080	0.000	1	126.3372	3.398	19	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,5a]C[5,6a])(C[6a]C[6a]C)2	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[5,6a]H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|H<1>,2|C<4>,7|C<3>}	C[6a](C[5]C[5,5a]C[5,6a])(C[6a]C[6a]C)2{2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[5,6a]H){1|H<1>,6|C<3>}	127.1660	0.000	1	127.1660	0.000	1	126.3372	3.398	19	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,5a]C[5,6a])(C[6a]C[6a]C)2	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[5a,6a]H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|S<2>,2|C<4>,6|C<3>}	C[6a](C[5]C[5,5a]C[5,6a])(C[6a]C[6a]C)2{2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[5a,6a]H){1|H<1>,1|S<2>,5|C<3>}	126.3220	0.000	2	126.3220	0.000	2	126.3372	3.398	19	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,5a]C[5,6a])(C[6a]C[6a]C)2	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[6a]H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|H<1>,2|C<4>,7|C<3>}	C[6a](C[5]C[5,5a]C[5,6a])(C[6a]C[6a]C)2{2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[6a]H){1|C<2>,1|H<1>,5|C<3>}	124.9520	1.194	2	124.6077	1.068	3	126.3372	3.398	19	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,5a]C[5,6a])(C[6a]C[6a]C)2	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[6a]H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|H<1>,2|C<4>,7|C<3>}	C[6a](C[5]C[5,5a]C[5,6a])(C[6a]C[6a]C)2{2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	123.9190	0.000	1	124.6077	1.068	3	126.3372	3.398	19	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,5a]C[5,6a])(C[6a]C[6a]F)2	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[5,6a]H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|S<2>,2|F<1>,6|C<3>}	C[6a](C[5]C[5,5a]C[5,6a])(C[6a]C[6a]F)2{2|F<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[5,6a]H){1|H<1>,1|S<2>,5|C<3>}	125.3150	0.000	1	125.3150	0.000	1	126.3372	3.398	19	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,5a]C[5,6a])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[6a]H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a](C[5]C[5,5a]C[5,6a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	125.4570	0.000	1	125.0712	1.362	5	126.3372	3.398	19	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,5a]C[5,6a])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[6a]H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a](C[5]C[5,5a]C[5,6a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	124.9748	1.325	4	125.0712	1.362	5	126.3372	3.398	19	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,5,6]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5,6])(C[6a]C[6a]Cl)2	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]Cl)	C[5](C[5,6]C[5,5,6]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){3|Cl<1>,1|C<4>,7|C<3>}	C[6a](C[5]C[5,6a]C[5,6])(C[6a]C[6a]Cl)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]Cl){1|C<4>,2|H<1>,5|C<3>}	121.5890	0.000	1	121.5890	0.000	1	122.7188	1.193	6	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,5,6]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5,6])(C[6a]C[6a]Cl)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]Cl)	C[5](C[5,6]C[5,5,6]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){3|Cl<1>,1|C<4>,7|C<3>}	C[6a](C[5]C[5,6a]C[5,6])(C[6a]C[6a]Cl)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]Cl){1|C<4>,2|H<1>,4|C<3>}	123.0630	0.000	1	123.0630	0.000	1	122.7188	1.193	6	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5,6])(C[6a]C[6a]C)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a,6a]H)	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,2|C<4>,6|C<3>}	C[6a](C[5]C[5,6a]C[5,6])(C[6a]C[6a]C)2{2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a,6a]H){1|H<1>,1|N<2>,5|C<3>}	122.1360	0.000	1	122.1360	0.000	1	122.7188	1.193	6	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5,6])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]H)	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|C<4>,1|O<2>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[5,6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	122.8720	0.000	1	123.1750	1.802	3	122.7188	1.193	6	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5,6])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]H)	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|C<4>,3|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]C[5,6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	124.6430	0.000	1	123.1750	1.802	3	122.7188	1.193	6	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5,6])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]H)	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]C[5,6])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	122.0100	0.000	1	123.1750	1.802	3	122.7188	1.193	6	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,5,6]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2)(C[6a]C[6a]2)	C[6a](C[5]C[5,5,6]C[5,6a])(C[6a]C[6a]Cl)2	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,5,6]C[6a])(C[6a]C[6a]Cl)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2)(C[6a]C[6a]2){3|Cl<1>,2|C<4>,7|C<3>}	C[6a](C[5]C[5,5,6]C[5,6a])(C[6a]C[6a]Cl)2{2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,5,6]C[6a])(C[6a]C[6a]Cl){2|C<4>,2|H<1>,4|C<3>}	126.4460	0.000	1	126.4460	0.000	1	126.4460	0.000	1	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5,5])(C[6a]C[6a]H)(C[6a]C[6a]I)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2){1|I<1>,1|O<2>,2|C<4>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5,5])(C[6a]C[6a]H)(C[6a]C[6a]I){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	126.3540	0.000	1	126.3540	0.000	1	125.1725	2.404	14	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5,5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2){1|N<3>,5|C<3>,5|H<1>}	C[6a](C[5]C[5,6a]C[5,5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	128.0960	0.000	1	124.9371	3.271	8	125.1725	2.404	14	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5,5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2){1|O<2>,2|C<4>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5,5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	123.3030	0.000	1	124.9371	3.271	8	125.1725	2.404	14	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5,5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2){3|C<4>,4|C<3>,5|H<1>}	C[6a](C[5]C[5,6a]C[5,5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	125.0178	0.379	4	124.9371	3.271	8	125.1725	2.404	14	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5,5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2){3|C<4>,4|C<3>,5|H<1>}	C[6a](C[5]C[5,6a]C[5,5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	126.0240	0.000	1	124.9371	3.271	8	125.1725	2.404	14	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5,5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2){3|H<1>,8|C<3>}	C[6a](C[5]C[5,6a]C[5,5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	122.0030	0.000	1	124.9371	3.271	8	125.1725	2.404	14	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5,5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[5,5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	123.9340	0.000	1	123.9340	0.000	1	125.1725	2.404	14	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]S[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5,5])(C[6a]C[6a]C)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[5a,6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]S[5])(C[6a]C[6a]2){1|C<2>,1|H<1>,2|C<4>,5|C<3>}	C[6a](C[5]C[5,6a]C[5,5])(C[6a]C[6a]C)2{1|S<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[5a,6a]H){1|C<2>,1|H<1>,1|S<2>,4|C<3>}	126.6610	0.000	2	126.0210	1.229	3	125.1725	2.404	14	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]S[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5,5])(C[6a]C[6a]C)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[5a,6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]S[5])(C[6a]C[6a]2){1|H<1>,2|C<4>,2|O<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[5,5])(C[6a]C[6a]C)2{1|S<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[5a,6a]H){1|H<1>,1|S<4>,5|C<3>}	124.7410	0.000	1	126.0210	1.229	3	125.1725	2.404	14	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]S[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5,5])(C[6a]C[6a]C)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a,6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]S[5])(C[6a]C[6a]2){1|H<1>,2|C<4>,2|O<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[5,5])(C[6a]C[6a]C)2{1|S<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a,6a]H){1|H<1>,1|S<4>,5|C<3>}	124.5670	0.000	1	124.5670	0.000	1	125.1725	2.404	14	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,5a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)	C[6a](C[5]C[5,5a]C[5,6a])(C[6a]C[6a]C)2	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2){2|C<4>,8|C<3>}	C[6a](C[5]C[5,5a]C[5,6a])(C[6a]C[6a]C)2{2|H<1>,5|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a]){2|H<1>,7|C<3>}	129.5600	0.000	1	129.5600	0.000	1	129.5600	0.000	1	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6,6]C[6])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5,6])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6,6]C[6])(C[6a]C[6a]2){1|C<4>,1|N<3>,5|C<3>,5|H<1>}	C[6a](C[5]C[5,6a]C[5,6])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	122.5980	0.000	1	122.5980	0.000	1	121.8909	6.117	7	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2)(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5,6])(C[6a]C[6a]Cl)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2)(C[6a]C[6a]2){2|Cl<1>,1|C<4>,1|H<1>,1|O<2>,7|C<3>}	C[6a](C[5]C[5,6a]C[5,6])(C[6a]C[6a]Cl)2{2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	118.4300	0.000	1	119.3910	0.697	3	121.8909	6.117	7	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2)(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5,6])(C[6a]C[6a]Cl)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2)(C[6a]C[6a]2){2|Cl<1>,1|C<4>,1|H<1>,1|O<2>,7|C<3>}	C[6a](C[5]C[5,6a]C[5,6])(C[6a]C[6a]Cl)2{2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	119.8030	0.000	1	119.3910	0.697	3	121.8909	6.117	7	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2)(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5,6])(C[6a]C[6a]Cl)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2)(C[6a]C[6a]2){2|Cl<1>,1|H<1>,2|O<2>,7|C<3>}	C[6a](C[5]C[5,6a]C[5,6])(C[6a]C[6a]Cl)2{2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	119.9400	0.000	1	119.3910	0.697	3	121.8909	6.117	7	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5,6])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2){1|C<4>,5|C<3>,5|H<1>}	C[6a](C[5]C[5,6a]C[5,6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	124.6070	0.000	1	124.1550	0.342	3	121.8909	6.117	7	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5,6])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2){2|C<4>,5|C<3>,5|H<1>}	C[6a](C[5]C[5,6a]C[5,6])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]H){1|N<2>,3|C<3>,4|C<4>}	123.9290	0.614	2	124.1550	0.342	3	121.8909	6.117	7	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5,6])(C[6a]C[6a]H)2	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a])	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2){1|C<4>,1|O<2>,2|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]C[5,6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	123.6340	0.000	1	123.6340	0.000	1	123.6340	0.000	1	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[6,6a]C[5,6])(C[6a]C[6a,6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]C[5,6a]C[5,6])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a])	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[6,6a]C[5,6])(C[6a]C[6a,6a]2){10|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]C[5,6a]C[5,6]){2|H<1>,9|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]){2|H<1>,7|C<3>}	125.7615	1.354	2	125.7615	1.834	2	125.7615	1.834	2	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]2)(C[6a]C[6a]C)2	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,2|C<4>,7|C<3>}	C[6a](C[5]C[5,6a]2)(C[6a]C[6a]C)2{2|H<1>,5|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	123.7280	0.000	1	123.7280	0.000	1	123.7280	0.000	1	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a,6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]2)(C[6a]C[6a]C)2	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[6a,6a]C[5a,6a,6a]C[6a])(C[5]C[5,6a]C[6a])	C[5](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,2|C<4>,7|C<3>}	C[6a](C[5]C[5,6a]2)(C[6a]C[6a]C)2{2|H<1>,5|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[6a,6a]C[5a,6a,6a]C[6a])(C[5]C[5,6a]C[6a]){1|H<1>,8|C<3>}	127.9410	0.000	1	127.9410	0.000	1	127.9410	0.000	1	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]2)(C[6a]C[6a]C)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[5,6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2){2|C<4>,2|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]2)(C[6a]C[6a]C)2{2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[5,6a]H){1|H<1>,6|C<3>}	124.8040	2.722	2	124.8040	7.411	2	124.9543	7.202	31	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]2)(C[6a]C[6a]C)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[5a,6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2){2|C<4>,2|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]2)(C[6a]C[6a]C)2{2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[5a,6a]H){1|H<1>,6|C<3>}	128.1315	1.232	2	128.1315	1.519	2	124.9543	7.202	31	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]2)(C[6a]C[6a]C)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a,6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2){2|C<4>,2|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]2)(C[6a]C[6a]C)2{2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a,6a]H){1|H<1>,6|C<3>}	127.2495	2.553	2	127.2495	6.520	2	124.9543	7.202	31	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]2)(C[6a]C[6a]C)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2){2|C<4>,2|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]2)(C[6a]C[6a]C)2{2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	125.0973	2.209	11	125.0973	4.881	11	124.9543	7.202	31	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]2)(C[6a]C[6a]C)2	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2){2|C<4>,2|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]2)(C[6a]C[6a]C)2{2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	125.5010	0.000	1	127.3697	4.972	4	124.9543	7.202	31	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]2)(C[6a]C[6a]C)2	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2){2|C<4>,2|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]2)(C[6a]C[6a]C)2{2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	127.9927	2.265	3	127.3697	4.972	4	124.9543	7.202	31	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]2)(C[6a]C[6a]C)2	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2){2|C<4>,2|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]2)(C[6a]C[6a]C)2{2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	126.9580	0.000	1	126.9580	0.000	1	124.9543	7.202	31	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	121.5503	0.487	3	121.5503	0.237	3	124.9543	7.202	31	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]2)(C[6a]C[6a]C)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|H<1>,2|C<4>,7|C<3>}	C[6a](C[5]C[5,6a]2)(C[6a]C[6a]C)2{2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	121.2600	0.000	1	121.2600	0.000	1	124.9543	7.202	31	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]2)(C[6a]C[6a]C)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[5,6a]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|H<1>,2|C<4>,7|C<3>}	C[6a](C[5]C[5,6a]2)(C[6a]C[6a]C)2{2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[5,6a]H){1|H<1>,6|C<3>}	122.1530	0.000	1	122.1530	0.000	1	124.9543	7.202	31	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]2)(C[6a]C[6a]C)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[5a,6a]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|H<1>,2|C<4>,7|C<3>}	C[6a](C[5]C[5,6a]2)(C[6a]C[6a]C)2{2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[5a,6a]H){1|H<1>,6|C<3>}	124.9990	0.000	1	124.9990	0.000	1	124.9543	7.202	31	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]2)(C[6a]C[6a]C)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|H<1>,2|C<4>,7|C<3>}	C[6a](C[5]C[5,6a]2)(C[6a]C[6a]C)2{2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	121.6660	0.000	1	121.6660	0.000	1	124.9543	7.202	31	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]2)(C[6a]C[6a]H)2{2|Cl<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	121.7110	0.000	1	121.7110	0.000	1	124.9543	7.202	31	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]2)(C[6a]C[6a]O)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|H<1>,2|O<2>,7|C<3>}	C[6a](C[5]C[5,6a]2)(C[6a]C[6a]O)2{2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	124.2660	0.000	1	124.2660	0.000	1	124.9543	7.202	31	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5a,6a]-3:C[5]-3:	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]2)(C[6a]C[6a]C)2	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[5a])(C[5]C[5,6a]C[6a])	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|H<1>,2|C<4>,7|C<3>}	C[6a](C[5]C[5,6a]2)(C[6a]C[6a]C)2{2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[5a])(C[5]C[5,6a]C[6a]){9|C<3>}	130.3570	0.000	1	130.3570	0.000	1	130.3570	0.000	1	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]2)(C[6a]C[6a]C)2	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a])	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|H<1>,2|C<4>,7|C<3>}	C[6a](C[5]C[5,6a]2)(C[6a]C[6a]C)2{2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a]){1|H<1>,8|C<3>}	129.5650	0.000	1	129.5650	0.000	1	128.4215	2.615	2	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]2)(C[6a]C[6a]O)2	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a])	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|H<1>,2|O<2>,7|C<3>}	C[6a](C[5]C[5,6a]2)(C[6a]C[6a]O)2{2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a]){1|H<1>,8|C<3>}	127.2780	0.000	1	127.2780	0.000	1	128.4215	2.615	2	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]){9|C<3>}	130.0315	0.054	2	130.0315	0.003	2	130.3177	0.247	3	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[6a])	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[6a]){9|C<3>}	130.8900	0.000	1	130.8900	0.000	1	130.3177	0.247	3	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]2)(C[6a]C[6a]C)2	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|H<1>,2|C<4>,7|C<3>}	C[6a](C[5]C[5,6a]2)(C[6a]C[6a]C)2{2|H<1>,5|C<3>}	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]){2|H<1>,7|C<3>}	128.4420	1.807	2	128.4420	3.267	2	128.9970	2.557	3	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]2)(C[6a]C[6a]H)2	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]2)(C[6a]C[6a]H)2{2|Cl<1>,5|C<3>}	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]){1|H<1>,1|O<2>,7|C<3>}	130.1070	0.000	1	130.1070	0.000	1	128.9970	2.557	3	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a,6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]C[5,6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a,6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a,6a]2){2|H<1>,8|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]C[5,6a]2){2|H<1>,9|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a,6a]H){1|H<1>,6|C<3>}	126.1615	1.497	4	126.1615	2.241	4	126.9199	1.116	13	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a,6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]C[5,6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a,6a]2){2|H<1>,8|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]C[5,6a]2){2|H<1>,9|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	127.3549	0.616	8	127.3549	0.379	8	126.9199	1.116	13	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a,6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]C[5,6a]2)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a,6a]2){2|H<1>,8|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]C[5,6a]2){2|H<1>,9|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	126.4740	0.000	1	126.4740	0.000	1	126.9199	1.116	13	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]C)(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5]C[6a]C[5])(C[6a]C[6a]O)	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]C)(C[6a]C[6a]2){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5]C[6a]C[5])(C[6a]C[6a]O){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	123.9935	1.090	2	123.9935	1.187	2	123.9935	1.187	2	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]Br)(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5,6a](C[5,6,6a]N[6,6a]C[5,6])(C[6a]C[6a,6a]O)(C[5]C[6a]C[5])	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]Br)(C[6a]C[6a]2){1|N<2>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|Br<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6,6a]N[6,6a]C[5,6])(C[6a]C[6a,6a]O)(C[5]C[6a]C[5]){1|Br<1>,1|N<2>,5|C<3>}	125.3600	0.000	1	125.3600	0.000	1	125.3600	0.000	1	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,6|C<3>}	123.6740	0.000	1	123.6740	0.000	1	123.6740	0.000	1	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]2)(C[5]C[5,5]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[5,6a]O[5])(C[5]C[6a]C[5])	C[5](C[5,6a]C[5,6a]2)(C[5]C[5,5]C[6a])(C[6a]C[6a]2){1|N<3>,1|O<2>,2|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[5,6a]O[5])(C[5]C[6a]C[5]){1|C<4>,1|H<1>,1|N<3>,1|O<2>,5|C<3>}	123.4650	0.000	1	123.4650	0.000	1	123.4650	0.000	1	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[4,5]O)(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[4,5]O)(C[6a]C[6a]2){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	125.7430	0.000	1	125.7430	0.000	1	122.1042	5.264	75	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]2){1|C<4>,1|N<3>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,4|C<3>}	122.4490	0.581	2	122.3261	0.633	9	122.1042	5.264	75	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]2){1|N<3>,3|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	122.0635	0.019	2	122.3261	0.633	9	122.1042	5.264	75	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]2){3|H<1>,8|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	121.8940	0.000	1	122.3261	0.633	9	122.1042	5.264	75	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]2){3|H<1>,8|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,6|C<3>}	122.5040	1.189	4	122.3261	0.633	9	122.1042	5.264	75	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]H)(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]H)(C[6a]C[6a]2){1|N<3>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	126.2225	0.234	2	126.2114	0.531	5	122.1042	5.264	75	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]H)(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]H)(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	126.2040	1.018	3	126.2114	0.531	5	122.1042	5.264	75	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]I)(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]I)(C[6a]C[6a]2){1|N<3>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,1|I<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|I<1>,1|N<3>,2|H<1>,4|C<3>}	123.6703	1.129	3	123.4480	1.047	4	122.1042	5.264	75	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]I)(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]I)(C[6a]C[6a]2){1|O<2>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,1|I<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|I<1>,1|O<2>,2|H<1>,4|C<3>}	122.7810	0.000	1	123.4480	1.047	4	122.1042	5.264	75	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C)(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C)(C[6a]C[6a]2){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	124.3880	0.386	2	124.3880	0.149	2	122.1042	5.264	75	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]2){1|N<3>,3|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|N<3>,5|C<3>}	122.1690	0.000	1	123.2735	1.696	4	122.1042	5.264	75	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]2){3|H<1>,8|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,7|C<3>}	122.1230	0.000	1	123.2735	1.696	4	122.1042	5.264	75	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]2){3|H<1>,8|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,6|C<3>}	124.4010	0.048	2	123.2735	1.696	4	122.1042	5.264	75	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]2){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	124.7300	0.027	2	124.7300	0.001	2	122.1042	5.264	75	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]Si)(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]Si)(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|Si<4>,1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|Si<4>,2|H<1>,5|C<3>}	120.2060	0.000	1	120.2060	0.000	1	122.1042	5.264	75	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(C[6a]C[6a]2){2|C<4>,4|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	123.9990	0.000	1	123.9990	0.000	1	122.1042	5.264	75	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]B[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]F)2	C[5,6a](C[5,6a]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]F)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]B[5])(C[6a]C[6a]2){1|Br<1>,3|F<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]F)2{1|B<3>,2|F<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]F){1|Br<1>,2|F<1>,4|C<3>}	122.5100	0.000	1	122.5753	0.077	3	122.1042	5.264	75	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]B[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]F)2	C[5,6a](C[5,6a]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]F)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]B[5])(C[6a]C[6a]2){3|F<1>,7|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]F)2{1|B<3>,2|F<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]F){2|F<1>,5|C<3>}	122.6080	0.383	2	122.5753	0.077	3	122.1042	5.264	75	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]B[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]B[5])(C[6a]C[6a]2){3|H<1>,8|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|B<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,6|C<3>}	121.8180	0.000	1	121.8180	0.000	1	122.1042	5.264	75	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	124.1900	0.000	1	123.1004	0.729	17	122.1042	5.264	75	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|N<2>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	123.4020	0.000	1	123.1004	0.729	17	122.1042	5.264	75	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<1>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	122.3243	0.385	4	123.1004	0.729	17	122.1042	5.264	75	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<1>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,6|C<3>}	123.2480	0.000	1	123.1004	0.729	17	122.1042	5.264	75	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	123.1101	0.816	9	123.1004	0.729	17	122.1042	5.264	75	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){4|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	124.5780	0.000	1	123.1004	0.729	17	122.1042	5.264	75	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(C[6a]C[6a]2){1|O<1>,2|H<1>,8|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]H){1|P<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	119.7250	0.000	1	119.7250	0.000	1	122.1042	5.264	75	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]C)2	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(C[6a]C[6a]2){1|H<1>,1|O<1>,2|C<4>,7|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]C)2{1|P<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	118.2590	0.000	1	118.2590	0.000	1	122.1042	5.264	75	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(C[6a]C[6a]2){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|N<2>,1|P<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	116.9900	0.000	1	119.7859	1.159	10	122.1042	5.264	75	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(C[6a]C[6a]2){1|O<1>,3|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|P<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|F<1>,1|H<1>,1|O<1>,5|C<3>}	120.8220	0.000	1	119.7859	1.159	10	122.1042	5.264	75	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(C[6a]C[6a]2){1|O<1>,3|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|P<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,6|C<3>}	119.8960	0.000	1	119.7859	1.159	10	122.1042	5.264	75	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(C[6a]C[6a]2){1|O<1>,3|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|P<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	120.0190	0.122	2	119.7859	1.159	10	122.1042	5.264	75	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(C[6a]C[6a]2){1|W<6>,3|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|P<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|W<6>,2|H<1>,5|C<3>}	119.9465	0.687	2	119.7859	1.159	10	122.1042	5.264	75	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(C[6a]C[6a]2){1|W<6>,4|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|P<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|W<6>,3|H<1>,4|C<3>}	120.4540	0.000	1	119.7859	1.159	10	122.1042	5.264	75	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|P<3>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	119.4290	0.000	1	119.7859	1.159	10	122.1042	5.264	75	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(C[6a]C[6a]2){4|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|P<3>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	120.3370	0.000	1	119.7859	1.159	10	122.1042	5.264	75	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5])(C[6a]C[6a]2){2|O<1>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|S<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,4|C<3>}	120.2600	1.195	8	120.2600	1.429	8	122.1042	5.264	75	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]Si[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]Si[5])(C[6a]C[6a]2){2|C<4>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|Si<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	117.2420	0.000	1	118.1158	0.264	5	122.1042	5.264	75	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]Si[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]Si[5])(C[6a]C[6a]2){3|H<1>,8|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|Si<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,6|C<3>}	118.3342	0.186	4	118.1158	0.264	5	122.1042	5.264	75	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]O[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<1>,1|O<2>,2|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]O[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[6a]C[5]){7|C<3>}	124.4100	0.000	1	124.4100	0.000	1	121.9920	11.693	2	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a,6a]H)(C[5]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(C[6a]C[6a]2){1|O<1>,3|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|P<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a,6a]H)(C[5]C[6a]C[5]){1|H<1>,1|O<1>,6|C<3>}	119.5740	0.000	1	119.5740	0.000	1	121.9920	11.693	2	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	N[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]N[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5,6a](N[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]N[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|N<2>,2|C<4>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	122.4220	0.000	1	122.2690	0.047	2	122.2690	0.047	2	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	N[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]N[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5,6a](N[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]N[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|N<2>,2|C<4>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<4>,4|C<3>}	122.1160	0.000	1	122.2690	0.047	2	122.2690	0.047	2	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	N[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]N[5,6a]C[6a])(C[5]C[6a]B[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5,6a](N[5,6a]C[6a]B[5])(C[6a]N[5a,6a]C)(C[5]C[6a]C[5])	C[5](C[5,6a]N[5,6a]C[6a])(C[5]C[6a]B[5])(C[6a]C[6a]2){1|C<4>,1|N<3>,2|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|B<3>,1|N<3>,2|H<1>,3|C<3>}	C[5,6a](N[5,6a]C[6a]B[5])(C[6a]N[5a,6a]C)(C[5]C[6a]C[5]){1|B<3>,1|C<4>,5|C<3>}	125.4830	0.000	1	125.4830	0.000	1	124.0575	4.064	2	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	N[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]N[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[6a]C[5])	C[5](C[5,6a]N[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|N<2>,2|C<4>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[6a]C[5]){1|O<1>,2|C<4>,5|C<3>}	122.6320	0.000	1	122.6320	0.000	1	124.0575	4.064	2	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[5]-3:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6])(C[6a]C[6a,6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]C[5,6a]C[5])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6])(C[6a]C[6a,6a]2){2|H<1>,9|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]C[5,6a]C[5]){1|C<4>,1|N<2>,2|H<1>,7|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	122.0980	0.000	1	122.0980	0.000	1	122.7495	0.780	4	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[5]-3:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a,6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]C[5,6a]C[5])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a,6a]2){1|H<1>,9|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]C[5,6a]C[5]){1|N<2>,2|H<1>,8|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,6|C<3>}	122.9667	0.941	3	122.9667	0.886	3	122.7495	0.780	4	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2){1|C<4>,4|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	121.8720	0.000	1	122.3094	0.345	5	124.2471	4.814	100	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2){1|O<1>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	122.8455	0.144	2	122.3094	0.345	5	124.2471	4.814	100	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2){3|C<4>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	121.9920	0.626	2	122.3094	0.345	5	124.2471	4.814	100	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]Br)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]Br){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|Br<1>,1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,3|C<3>,3|H<1>}	123.7220	0.000	1	123.7220	0.000	1	124.2471	4.814	100	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){1|C<2>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	124.1900	0.000	1	124.1900	0.000	1	124.2471	4.814	100	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){1|N<3>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	122.6100	0.000	1	122.6100	0.000	1	124.2471	4.814	100	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,4|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]C){2|C<4>,3|C<3>,3|H<1>}	124.3310	0.000	1	124.3310	0.000	1	124.2471	4.814	100	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,4|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	122.4420	0.000	1	122.0750	0.269	2	124.2471	4.814	100	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){1|O<2>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,4|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	121.7080	0.000	1	122.0750	0.269	2	124.2471	4.814	100	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	124.2235	1.776	2	122.7399	1.492	25	124.2471	4.814	100	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){1|N<2>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	124.8480	0.000	1	122.7399	1.492	25	124.2471	4.814	100	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){1|N<3>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	123.3600	0.000	1	122.7399	1.492	25	124.2471	4.814	100	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	122.9560	0.259	2	122.7399	1.492	25	124.2471	4.814	100	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	121.5380	0.000	1	122.7399	1.492	25	124.2471	4.814	100	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,2|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	122.9990	0.000	1	122.7399	1.492	25	124.2471	4.814	100	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	121.4362	0.734	5	122.7399	1.492	25	124.2471	4.814	100	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){1|O<2>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|H<1>,5|C<3>}	122.3670	0.000	1	122.7399	1.492	25	124.2471	4.814	100	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){1|S<2>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	121.9280	0.000	1	122.7399	1.492	25	124.2471	4.814	100	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){1|S<2>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,1|S<2>,2|C<4>,4|C<3>}	120.7600	0.000	1	122.7399	1.492	25	124.2471	4.814	100	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){3|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	124.3480	0.000	1	122.7399	1.492	25	124.2471	4.814	100	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){3|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,2|C<4>,4|C<3>}	123.4930	0.000	1	122.7399	1.492	25	124.2471	4.814	100	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){3|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	123.0200	0.000	1	122.7399	1.492	25	124.2471	4.814	100	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){4|C<3>,4|H<1>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	123.6790	0.767	2	122.7399	1.492	25	124.2471	4.814	100	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){4|C<3>,5|H<1>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){4|C<3>,4|H<1>}	122.0280	0.000	1	122.7399	1.492	25	124.2471	4.814	100	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){4|C<3>,5|H<1>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	123.0075	0.334	2	122.7399	1.492	25	124.2471	4.814	100	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){4|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	122.8960	0.000	1	122.7399	1.492	25	124.2471	4.814	100	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]O){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	123.4520	0.000	1	123.4520	0.000	1	124.2471	4.814	100	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H){1|Ru<5>,1|H<1>,2|C<4>,4|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]C){1|Ru<5>,3|C<3>,3|H<1>}	124.5980	0.000	1	124.5980	0.000	1	124.2471	4.814	100	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]C)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H){1|Ru<5>,1|H<1>,2|C<4>,4|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]C)2{3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|Ru<5>,3|C<3>,3|H<1>}	124.1140	0.000	1	124.1140	0.000	1	124.2471	4.814	100	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H){1|O<2>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,5|H<1>}	124.5520	0.000	1	124.5520	0.000	1	124.2471	4.814	100	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	125.4647	0.724	7	126.2911	1.304	38	124.2471	4.814	100	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H){1|P<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|P<4>,3|C<3>,3|H<1>}	128.8270	1.220	2	126.2911	1.304	38	124.2471	4.814	100	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H){1|Ru<5>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|Ru<5>,3|C<3>,3|H<1>}	126.2479	1.007	24	126.2911	1.304	38	124.2471	4.814	100	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|Br<1>,2|C<4>,2|H<1>,3|C<3>}	126.9200	0.222	2	126.2911	1.304	38	124.2471	4.814	100	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	127.3130	0.000	1	126.2911	1.304	38	124.2471	4.814	100	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H){3|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	126.5610	0.000	1	126.2911	1.304	38	124.2471	4.814	100	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H){4|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){4|C<3>,4|H<1>}	125.4920	0.000	1	126.2911	1.304	38	124.2471	4.814	100	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	127.1290	0.000	1	127.1290	0.000	1	124.2471	4.814	100	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[5,6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,2|C<4>,2|O<2>,4|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]O)2{1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[5,6a]H){2|H<1>,3|C<3>,3|C<4>}	123.9000	0.000	1	123.9000	0.000	1	124.2471	4.814	100	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,2|C<4>,2|O<2>,4|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]O)2{1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	122.5560	0.000	1	122.5560	0.000	1	124.2471	4.814	100	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]I)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]I){1|N<3>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,1|I<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|I<1>,1|N<3>,2|H<1>,4|C<3>}	123.4497	0.441	3	123.4497	0.194	3	124.2471	4.814	100	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]N)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]N){4|C<3>,5|H<1>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	121.9510	0.000	1	123.5065	4.839	2	124.2471	4.814	100	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]N)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]N){4|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	125.0620	0.000	1	123.5065	4.839	2	124.2471	4.814	100	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]P)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]P){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|P<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|P<4>,2|H<1>,3|C<3>}	121.1920	0.000	1	121.1920	0.000	1	124.2471	4.814	100	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]S)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]S){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<4>,2|H<1>,3|C<3>}	123.5863	1.310	3	123.1859	1.338	8	124.2471	4.814	100	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]S)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]S){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|S<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,1|S<2>,3|C<3>}	122.5330	0.000	1	123.1859	1.338	8	124.2471	4.814	100	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]S)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]S){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|S<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|S<2>,2|H<1>,3|C<3>}	123.3310	0.429	2	123.1859	1.338	8	124.2471	4.814	100	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]S)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]S){4|C<3>,5|H<1>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,1|S<4>,3|C<3>,3|H<1>}	121.2750	0.000	1	123.1859	1.338	8	124.2471	4.814	100	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]S)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]S){4|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,1|S<4>,2|H<1>,4|C<3>}	124.2580	0.000	1	123.1859	1.338	8	124.2471	4.814	100	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]H)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]H){3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{2|C<3>,2|N<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|Br<1>,2|H<1>,3|C<3>}	130.4380	0.000	1	130.4380	0.000	1	124.2471	4.814	100	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]C)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]C){1|O<1>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,1|P<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	120.2020	0.000	1	120.3875	0.069	2	124.2471	4.814	100	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]C)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]C){1|O<1>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|P<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,5|C<3>}	120.5730	0.000	1	120.3875	0.069	2	124.2471	4.814	100	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]P)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]P){1|O<1>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{2|H<1>,2|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|P<4>,2|H<1>,4|C<3>}	120.3390	0.000	1	120.3390	0.000	1	124.2471	4.814	100	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]S[5]C)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]S[5]C){2|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,2|C<4>,2|O<1>,3|C<3>}	120.7020	0.000	1	120.7020	0.000	1	124.2471	4.814	100	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(C[5]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]O){3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(C[5]C[6a]C[5]){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	131.5010	0.000	1	131.5010	0.000	1	131.5010	0.000	1	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[5]C[6a]C[5])	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]C[5]O){1|C<4>,1|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[5]C[6a]C[5]){1|H<1>,1|O<1>,7|C<3>}	132.2530	0.000	1	132.2530	0.000	1	131.7703	0.241	3	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[5]C[6a]C[5])	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]C[5]O){2|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[5]C[6a]C[5]){1|H<1>,1|O<1>,7|C<3>}	131.5290	0.363	2	131.5290	0.132	2	131.7703	0.241	3	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5,6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5,6a](C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H){4|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]){4|H<1>,6|C<3>}	128.3818	0.354	4	128.3818	0.125	4	128.3818	0.125	4	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[5]-3:C[6a]-3:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]H){2|H<1>,6|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]H){3|H<1>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	122.8830	0.000	1	122.8830	0.000	1	122.8830	0.000	1	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6]H){1|H<1>,1|O<2>,2|C<4>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]O){1|C<4>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	123.7200	0.000	1	123.7200	0.000	1	123.0927	0.329	3	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]S)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5]C){1|S<3>,3|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]S){2|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	122.9630	0.000	1	122.9630	0.000	1	123.0927	0.329	3	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5]H){1|H<1>,1|O<2>,2|C<4>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]O){1|C<4>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	122.5950	0.000	1	122.5950	0.000	1	123.0927	0.329	3	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]B[5]N)	C[6a](C[5]C[5,6a]N[5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]B[5])(C[5]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]B[5]N){2|O<2>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]N[5])(C[6a]C[6a]H)2{1|B<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[5]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,2|O<2>,3|C<3>}	122.9670	0.000	1	122.9670	0.000	1	128.6780	4.356	10	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]N[5]Mg)	C[6a](C[5]C[5,6a]N[5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]N[5])(C[6a]C[6a]F)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]N[5]Mg){1|B<4>,1|F<1>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]N[5])(C[6a]C[6a]H)2{1|Mg<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]N[5])(C[6a]C[6a]F){1|Mg<4>,1|B<4>,2|F<1>,3|C<3>}	129.3126	0.608	9	129.3126	0.370	9	128.6780	4.356	10	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	N[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]N[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)	C[6a](C[5]C[5,6a]N[5])(C[6a]C[6a]F)2	C[5,6a](N[5,6a]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6a]N[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C){1|Rh<4>,1|H<1>,2|F<1>,4|C<3>}	C[6a](C[5]C[5,6a]N[5])(C[6a]C[6a]F)2{1|C<4>,1|N<3>,2|F<1>,3|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]H){1|Rh<4>,1|C<4>,2|H<1>,3|C<3>}	129.3265	1.032	2	129.3265	1.064	2	129.1024	0.526	5	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	N[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]N[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)	C[6a](C[5]C[5,6a]N[5])(C[6a]C[6a]H)2	C[5,6a](N[5,6a]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6a]N[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C){1|Rh<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]H){1|Rh<4>,1|C<4>,2|H<1>,3|C<3>}	129.1760	0.758	2	128.9530	0.436	3	129.1024	0.526	5	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	N[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]N[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)	C[6a](C[5]C[5,6a]N[5])(C[6a]C[6a]H)2	C[5,6a](N[5,6a]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6a]N[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C){1|Se<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]H){1|Se<1>,1|C<4>,2|H<1>,3|C<3>}	128.5070	0.000	1	128.9530	0.436	3	129.1024	0.526	5	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]N[5,6]C[6])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]N[5,6])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]N[5,6]C[6a])(C[6a]C[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]N[5,6]C[6])(C[6a]C[6a]2){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,6a]N[5,6])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]N[5,6]C[6a])(C[6a]C[6a]O){2|C<4>,2|H<1>,3|C<3>}	130.5370	0.000	1	130.5370	0.000	1	130.5370	0.000	1	124.4917	8.833	328	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:4:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5,5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2){3|C<4>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[5,5])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	122.3410	0.000	1	122.3410	0.000	1	122.3410	0.000	1	126.2190	30.078	2	124.5432	8.675	344	125.0859	11.164	402
818	643	727	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6a]	3:4:3:	3:3:3:	3:3:3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5a,6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a,6a]C[5a,6a])(P[5]C[5,6a]C[6a]S)(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]P[5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[5a])(C[5]C[6a]P[5])	C[5](C[5,6a]C[5,6a,6a]C[5a,6a])(P[5]C[5,6a]C[6a]S)(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](C[5]C[5,6a]P[5])(C[6a]C[6a]H)2{1|S<1>,2|O<2>,5|C<3>}	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[5a])(C[5]C[6a]P[5]){1|H<1>,1|S<1>,1|S<2>,7|C<3>}	130.0970	0.000	1	130.0970	0.000	1	130.0970	0.000	1	126.2190	30.078	2	124.5432	8.675	344	125.0859	11.164	402
818	643	727	6:SP2_SP2_SP2	C[5,6]	C[6,6a]	C[5,6,6a]	3:3:2:	3:3:3:	3:3:3:	C[5,6,6a]-3:C[6,6a]-3:N[5]-2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6]-3:C[5,6a]-3:C[6,6a]-3:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(N[5]P[5])	C[6,6a](C[5,6]C[5,6,6a]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]P)	C[5,6,6a](C[5,6]C[6,6a]N[5])(C[5,6a]C[6a]P[5])(C[6,6a]C[6a]C[6])	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(N[5]P[5]){1|P<3>,3|C<4>,4|C<3>}	C[6,6a](C[5,6]C[5,6,6a]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]P){1|P<4>,2|C<4>,2|H<1>,3|C<3>}	C[5,6,6a](C[5,6]C[6,6a]N[5])(C[5,6a]C[6a]P[5])(C[6,6a]C[6a]C[6]){2|H<1>,3|C<3>,4|C<4>}	119.1970	0.000	1	119.1970	0.000	1	119.1970	0.000	1	119.1970	0.000	1	119.1970	0.000	1	119.1970	0.000	1