930	856	893	0:SP2_SP2_SP2	C	N[6,6]	O	3:2:1:	4:2:3:	3:4:	N[6,6]-3:O-2:O-1:	C[3x6]-4:O[6,6]-2:C-3:	C-3:C-4:	C(N[6,6]C[3x6]O[6,6])(OC)(O)	N[6,6](C[3x6]C[6,6]2H)(O[6,6]C[3x6])(COO)	O(CN[6,6]O)(CC3)	C(N[6,6]C[3x6]O[6,6])(OC)(O)	N[6,6](C[3x6]C[6,6]2H)(O[6,6]C[3x6])(COO){2|C<3>,2|H<1>,2|O<2>}	O(CN[6,6]O)(CC3)	111.6090	0.000	1	111.6090	0.000	1	111.6090	0.000	1	111.6090	0.000	1	110.4452	1.673	15	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6,6]	O	3:2:1:	4:2:3:	4:3:	N[6,6]-3:O-2:O-1:	C[3x6]-4:O[6,6]-2:C-3:	C-4:C-3:	C(N[6,6]C[3x6]O[6,6])(OC)(O)	N[6,6](C[3x6]C[3,6,6]C[6,6]C)(O[6,6]C[3x6])(COO)	O(CC[6a]HH)(CN[6,6]O)	C(N[6,6]C[3x6]O[6,6])(OC)(O)	N[6,6](C[3x6]C[3,6,6]C[6,6]C)(O[6,6]C[3x6])(COO){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O(CC[6a]HH)(CN[6,6]O)	112.0270	0.000	1	112.0270	0.000	1	110.3633	4.978	3	110.3633	4.978	3	110.4452	1.673	15	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6,6]	O	3:2:1:	4:2:3:	4:3:	N[6,6]-3:O-2:O-1:	C[3x6]-4:O[6,6]-2:C-3:	C-4:C-3:	C(N[6,6]C[3x6]O[6,6])(OC)(O)	N[6,6](C[3x6]C[3,6,6]C[6,6]H)(O[6,6]C[3x6])(COO)	O(CC[6a]HH)(CN[6,6]O)	C(N[6,6]C[3x6]O[6,6])(OC)(O)	N[6,6](C[3x6]C[3,6,6]C[6,6]H)(O[6,6]C[3x6])(COO){1|Cl<1>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O(CC[6a]HH)(CN[6,6]O)	111.2350	0.000	1	111.2350	0.000	1	110.3633	4.978	3	110.3633	4.978	3	110.4452	1.673	15	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6,6]	O	3:2:1:	4:2:3:	4:3:	N[6,6]-3:O-2:O-1:	C[3x6]-4:O[6,6]-2:C-3:	C-4:C-3:	C(N[6,6]C[3x6]O[6,6])(OC)(O)	N[6,6](C[3x6]C[6,6]2H)(O[6,6]C[3x6])(COO)	O(CC[6a]HH)(CN[6,6]O)	C(N[6,6]C[3x6]O[6,6])(OC)(O)	N[6,6](C[3x6]C[6,6]2H)(O[6,6]C[3x6])(COO){1|C<4>,2|C<3>,3|H<1>}	O(CC[6a]HH)(CN[6,6]O)	107.8280	0.000	1	107.8280	0.000	1	110.3633	4.978	3	110.3633	4.978	3	110.4452	1.673	15	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6,6]	O	3:2:1:	4:4:3:	3:3:	N[6,6]-3:O-2:O-1:	C[3x6]-4:C[6,6]-4:C-3:	C[6a]-3:C-3:	C(N[6,6]C[3x6]C[6,6])(OC[6a])(O)	N[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(COO)	O(C[6a]C[6a]2)(CN[6,6]O)	C(N[6,6]C[3x6]C[6,6])(OC[6a])(O)	N[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(COO){1|C<4>,2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(CN[6,6]O)	110.2880	0.000	1	110.2880	0.000	1	110.2380	0.108	3	109.7082	0.644	5	110.4452	1.673	15	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6,6]	O	3:2:1:	4:4:3:	3:3:	N[6,6]-3:O-2:O-1:	C[3x6]-4:C[6,6]-4:C-3:	C[6a]-3:C-3:	C(N[6,6]C[3x6]C[6,6])(OC[6a])(O)	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(COO)	O(C[6a]C[6a]2)(CN[6,6]O)	C(N[6,6]C[3x6]C[6,6])(OC[6a])(O)	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(COO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	O(C[6a]C[6a]2)(CN[6,6]O)	110.2130	0.461	2	110.2130	0.213	2	110.2380	0.108	3	109.7082	0.644	5	110.4452	1.673	15	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6,6]	O	3:2:1:	4:4:3:	3:3:	N[6,6]-3:O-2:O-1:	C[5,3x6]-4:C[6,6]-4:C-3:	C[6a]-3:C-3:	C(N[6,6]C[5,3x6]C[6,6])(OC[6a])(O)	N[6,6](C[5,3x6]C[5,6,6]2H)(C[6,6]C[3x6]HH)(COO)	O(C[6a]C[6a]2)(CN[6,6]O)	C(N[6,6]C[5,3x6]C[6,6])(OC[6a])(O)	N[6,6](C[5,3x6]C[5,6,6]2H)(C[6,6]C[3x6]HH)(COO){1|Br<1>,1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6a]C[6a]2)(CN[6,6]O)	108.5560	0.000	1	108.9135	0.256	2	108.9135	0.256	2	109.7082	0.644	5	110.4452	1.673	15	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6,6]	O	3:2:1:	4:4:3:	3:3:	N[6,6]-3:O-2:O-1:	C[5,3x6]-4:C[6,6]-4:C-3:	C[6a]-3:C-3:	C(N[6,6]C[5,3x6]C[6,6])(OC[6a])(O)	N[6,6](C[5,3x6]C[5,6,6]2H)(C[6,6]C[3x6]HH)(COO)	O(C[6a]C[6a]2)(CN[6,6]O)	C(N[6,6]C[5,3x6]C[6,6])(OC[6a])(O)	N[6,6](C[5,3x6]C[5,6,6]2H)(C[6,6]C[3x6]HH)(COO){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O(C[6a]C[6a]2)(CN[6,6]O)	109.2710	0.000	1	108.9135	0.256	2	108.9135	0.256	2	109.7082	0.644	5	110.4452	1.673	15	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6,6]	O	3:2:1:	4:4:3:	3:4:	N[6,6]-3:O-2:O-1:	C[3x6]-4:C[3x6]-4:C-3:	C-3:C-4:	C(N[6,6]C[3x6]2)(OC)(O)	N[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[3x6]C[4x6]C[6]C)(COO)	O(CN[6,6]O)(CH3)	C(N[6,6]C[3x6]2)(OC)(O)	N[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[3x6]C[4x6]C[6]C)(COO){1|C<4>,3|C<3>,5|H<1>}	O(CN[6,6]O)(CH3)	112.3190	0.000	1	112.3190	0.000	1	112.3190	0.000	1	110.9126	1.379	5	110.4452	1.673	15	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6,6]	O	3:2:1:	4:4:3:	3:4:	N[6,6]-3:O-2:O-1:	C[3x6]-4:C[6,6]-4:C-3:	C-3:C-4:	C(N[6,6]C[3x6]C[6,6])(OC)(O)	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(COO)	O(CN[6,6]O)(CC3)	C(N[6,6]C[3x6]C[6,6])(OC)(O)	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(COO){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	O(CN[6,6]O)(CC3)	109.1200	0.000	1	110.0020	1.556	2	110.2593	0.977	3	110.9126	1.379	5	110.4452	1.673	15	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6,6]	O	3:2:1:	4:4:3:	3:4:	N[6,6]-3:O-2:O-1:	C[3x6]-4:C[6,6]-4:C-3:	C-3:C-4:	C(N[6,6]C[3x6]C[6,6])(OC)(O)	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(COO)	O(CN[6,6]O)(CC3)	C(N[6,6]C[3x6]C[6,6])(OC)(O)	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(COO){2|C<4>,2|O<2>,3|H<1>}	O(CN[6,6]O)(CC3)	110.8840	0.000	1	110.0020	1.556	2	110.2593	0.977	3	110.9126	1.379	5	110.4452	1.673	15	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6,6]	O	3:2:1:	4:4:3:	3:4:	N[6,6]-3:O-2:O-1:	C[3x6]-4:C[6,6]-4:C-3:	C-3:C-4:	C(N[6,6]C[3x6]C[6,6])(OC)(O)	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(COO)	O(CN[6,6]O)(CH3)	C(N[6,6]C[3x6]C[6,6])(OC)(O)	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(COO){1|H<1>,2|C<3>,3|C<4>}	O(CN[6,6]O)(CH3)	110.7740	0.000	1	110.7740	0.000	1	110.2593	0.977	3	110.9126	1.379	5	110.4452	1.673	15	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6,6]	O	3:2:1:	4:4:3:	3:4:	N[6,6]-3:O-2:O-1:	C[6,6]-4:C[6,6]-4:C-3:	C-3:C-4:	C(N[6,6]C[6,6]2)(OC)(O)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]2H)(COO)	O(CN[6,6]O)(CH3)	C(N[6,6]C[6,6]2)(OC)(O)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]2H)(COO){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	O(CN[6,6]O)(CH3)	111.4660	0.000	1	111.4660	0.000	1	111.4660	0.000	1	110.9126	1.379	5	110.4452	1.673	15	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6,6]	O	3:2:1:	4:4:3:	4:3:	N[6,6]-3:O-2:O-1:	C[3x6]-4:C[6,6]-4:C-3:	C-4:C-3:	C(N[6,6]C[3x6]C[6,6])(OC)(O)	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(COO)	O(CC[6a]HH)(CN[6,6]O)	C(N[6,6]C[3x6]C[6,6])(OC)(O)	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(COO){1|C<4>,2|H<1>,3|C<3>}	O(CC[6a]HH)(CN[6,6]O)	110.8750	0.000	1	110.8750	0.000	1	110.8750	0.000	1	110.8750	0.000	1	110.4452	1.673	15	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	2:2:3:	3:4:	N[6]-3:O-2:O-1:	N[6]-2:N[6]-2:C-3:	C-3:C-4:	C(N[6]N[6]2)(OC)(O)	N[6](N[6]C[6])2(COO)	O(CN[6]O)(CC3)	C(N[6]N[6]2)(OC)(O)	N[6](N[6]C[6])2(COO){1|N<3>,2|C<3>}	O(CN[6]O)(CC3)	111.1190	0.000	1	111.1190	0.000	1	111.1190	0.000	1	111.1190	0.000	1	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	2:3:3:	3:4:	N[6]-3:O-2:O-1:	N[6]-2:C[6]-3:C-3:	C-3:C-4:	C(N[6]C[6]N[6])(OC)(O)	N[6](N[6]C[6,6])(C[6]C[6]O)(COO)	O(CN[6]O)(CC3)	C(N[6]C[6]N[6])(OC)(O)	N[6](N[6]C[6,6])(C[6]C[6]O)(COO){1|C<4>,1|H<1>,2|C<3>}	O(CN[6]O)(CC3)	109.7900	0.000	1	109.7900	0.000	1	109.7900	0.000	1	109.7900	0.000	1	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	3:2:3:	3:4:	N[6]-3:O-2:O-1:	C[6]-3:N[6]-2:C-3:	C-3:C-4:	C(N[6]C[6]N[6])(OC)(O)	N[6](C[6]C[6a]N[6])(N[6]C[6])(COO)	O(CN[6]O)(CCHH)	C(N[6]C[6]N[6])(OC)(O)	N[6](C[6]C[6a]N[6])(N[6]C[6])(COO){1|N<3>,3|C<3>}	O(CN[6]O)(CCHH)	111.0965	0.255	2	111.0965	0.065	2	111.0965	0.065	2	111.0965	0.065	2	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	3:3:3:	3:4:	N[6]-3:O-2:O-1:	C[6,6a]-3:C[6,6a]-3:C-3:	C-3:C-4:	C(N[6]C[6,6a]2)(OC)(O)	N[6](C[6,6a]C[6,6a]C[6a])2(COO)	O(CN[6]O)(CC3)	C(N[6]C[6,6a]2)(OC)(O)	N[6](C[6,6a]C[6,6a]C[6a])2(COO){1|P<4>,2|H<1>,4|C<3>}	O(CN[6]O)(CC3)	109.1340	0.000	1	109.9807	0.597	3	109.9807	0.597	3	109.6357	1.447	19	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	3:3:3:	3:4:	N[6]-3:O-2:O-1:	C[6,6a]-3:C[6,6a]-3:C-3:	C-3:C-4:	C(N[6]C[6,6a]2)(OC)(O)	N[6](C[6,6a]C[6,6a]C[6a])2(COO)	O(CN[6]O)(CC3)	C(N[6]C[6,6a]2)(OC)(O)	N[6](C[6,6a]C[6,6a]C[6a])2(COO){2|H<1>,5|C<3>}	O(CN[6]O)(CC3)	110.4040	0.345	2	109.9807	0.597	3	109.9807	0.597	3	109.6357	1.447	19	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	3:3:3:	3:4:	N[6]-3:O-2:O-1:	C[6,6a]-3:C[6]-3:C-3:	C-3:C-4:	C(N[6]C[6,6a]C[6])(OC)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(COO)	O(CN[6]O)(CC3)	C(N[6]C[6,6a]C[6])(OC)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(COO){2|C<3>,2|C<4>,2|H<1>}	O(CN[6]O)(CC3)	108.4705	0.016	2	108.4705	0.000	2	108.4698	0.096	4	109.6357	1.447	19	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	3:3:3:	3:4:	N[6]-3:O-2:O-1:	C[6,6a]-3:C[6]-3:C-3:	C-3:C-4:	C(N[6]C[6,6a]C[6])(OC)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(COO)	O(CN[6]O)(CC3)	C(N[6]C[6,6a]C[6])(OC)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(COO){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	O(CN[6]O)(CC3)	108.8490	0.000	1	108.8490	0.000	1	108.4698	0.096	4	109.6357	1.447	19	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	3:3:3:	3:4:	N[6]-3:O-2:O-1:	C[6,6a]-3:C[6]-3:C-3:	C-3:C-4:	C(N[6]C[6,6a]C[6])(OC)(O)	N[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]O)(COO)	O(CN[6]O)(CC3)	C(N[6]C[6,6a]C[6])(OC)(O)	N[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]O)(COO){1|C<4>,2|C<3>,2|H<1>}	O(CN[6]O)(CC3)	108.0890	0.000	1	108.0890	0.000	1	108.4698	0.096	4	109.6357	1.447	19	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	3:3:3:	3:4:	N[6]-3:O-2:O-1:	C[6]-3:C[6]-3:C-3:	C-3:C-4:	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]C)(C[6]C[6]H)(COO)	O(CN[6]O)(CC3)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]C)(C[6]C[6]H)(COO){1|O<2>,2|H<1>}	O(CN[6]O)(CC3)	109.9260	0.000	1	109.9260	0.000	1	110.0100	1.213	5	109.6357	1.447	19	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	3:3:3:	3:4:	N[6]-3:O-2:O-1:	C[6]-3:C[6]-3:C-3:	C-3:C-4:	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]C)(C[6]C[6]O)(COO)	O(CN[6]O)(CC3)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]C)(C[6]C[6]O)(COO){2|C<4>,2|H<1>}	O(CN[6]O)(CC3)	108.2400	0.000	1	108.2400	0.000	1	110.0100	1.213	5	109.6357	1.447	19	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	3:3:3:	3:4:	N[6]-3:O-2:O-1:	C[6]-3:C[6]-3:C-3:	C-3:C-4:	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]H)2(COO)	O(CN[6]O)(CC3)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]H)2(COO){1|O<2>,2|H<1>}	O(CN[6]O)(CC3)	110.1980	0.000	1	110.1980	0.000	1	110.0100	1.213	5	109.6357	1.447	19	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	3:3:3:	3:4:	N[6]-3:O-2:O-1:	C[6]-3:C[6]-3:C-3:	C-3:C-4:	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]H)2(COO)	O(CN[6]O)(CCHH)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]H)2(COO){1|C<2>,1|C<4>,1|H<1>}	O(CN[6]O)(CCHH)	111.2240	0.000	1	110.8430	0.290	2	110.0100	1.213	5	109.6357	1.447	19	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	3:3:3:	3:4:	N[6]-3:O-2:O-1:	C[6]-3:C[6]-3:C-3:	C-3:C-4:	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]H)2(COO)	O(CN[6]O)(CCHH)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]H)2(COO){1|C<3>,2|H<1>}	O(CN[6]O)(CCHH)	110.4620	0.000	1	110.8430	0.290	2	110.0100	1.213	5	109.6357	1.447	19	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	3:3:3:	3:4:	N[6]-3:O-2:O-1:	C[6]-3:N[6]-3:C-3:	C-3:C-4:	C(N[6]C[6]N[6])(OC)(O)	N[6](C[6]C[6]C)(N[6]C[6]C)(COO)	O(CN[6]O)(CC3)	C(N[6]C[6]N[6])(OC)(O)	N[6](C[6]C[6]C)(N[6]C[6]C)(COO){1|C<3>,1|N<3>,2|H<1>}	O(CN[6]O)(CC3)	110.4150	0.000	1	110.4150	0.000	1	109.5050	0.563	5	109.6357	1.447	19	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	3:3:3:	3:4:	N[6]-3:O-2:O-1:	C[6]-3:N[6]-3:C-3:	C-3:C-4:	C(N[6]C[6]N[6])(OC)(O)	N[6](C[6]C[6]H)(N[6]C[6]C)(COO)	O(CN[6]O)(CCCH)	C(N[6]C[6]N[6])(OC)(O)	N[6](C[6]C[6]H)(N[6]C[6]C)(COO){2|Br<1>,1|C<3>,1|H<1>}	O(CN[6]O)(CCCH)	109.9520	0.000	1	109.9520	0.000	1	109.5050	0.563	5	109.6357	1.447	19	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	3:3:3:	3:4:	N[6]-3:O-2:O-1:	C[6]-3:N[6]-3:C-3:	C-3:C-4:	C(N[6]C[6]N[6])(OC)(O)	N[6](C[6]C[6a]N[6])(N[6]C[6]C)(COO)	O(CN[6]O)(CCHH)	C(N[6]C[6]N[6])(OC)(O)	N[6](C[6]C[6a]N[6])(N[6]C[6]C)(COO){1|N<2>,3|C<3>}	O(CN[6]O)(CCHH)	109.0527	0.552	3	109.0527	0.305	3	109.5050	0.563	5	109.6357	1.447	19	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	3:3:3:	3:4:	N[6]-3:O-2:O-1:	N[6]-3:C[6]-3:C-3:	C-3:C-4:	C(N[6]C[6]N[6])(OC)(O)	N[6](N[6]C[6,6a]H)(C[6]C[6]O)(COO)	O(CN[6]O)(CH3)	C(N[6]C[6]N[6])(OC)(O)	N[6](N[6]C[6,6a]H)(C[6]C[6]O)(COO){1|C<4>,1|H<1>,2|C<3>}	O(CN[6]O)(CH3)	112.8380	0.000	1	112.8380	0.000	1	112.8380	0.000	1	109.6357	1.447	19	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	3:3:3:	3:4:	N[6]-3:O-2:O-1:	N[6]-3:N[6]-3:C-3:	C-3:C-4:	C(N[6]N[6]2)(OC)(O)	N[6](N[6]C[6]C)(N[6]N[6]C)(COO)	O(CN[6]O)(CCCH)	C(N[6]N[6]2)(OC)(O)	N[6](N[6]C[6]C)(N[6]N[6]C)(COO){1|C<3>,2|H<1>}	O(CN[6]O)(CCCH)	108.8440	0.000	1	108.8440	0.000	1	108.8440	0.000	1	109.6357	1.447	19	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	3:3:3:	4:3:	N[6]-3:O-2:O-1:	C[6,6a]-3:C[6]-3:C-3:	C[6]-4:C-3:	C(N[6]C[6,6a]C[6])(OC[6])(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(COO)	O(C[6]C[6]2H)(CN[6]O)	C(N[6]C[6,6a]C[6])(OC[6])(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(COO){1|S<3>,2|C<3>,3|H<1>}	O(C[6]C[6]2H)(CN[6]O)	109.4610	0.000	1	109.4610	0.000	1	109.4610	0.000	1	109.6240	0.053	2	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	3:3:3:	4:3:	N[6]-3:O-2:O-1:	C[6]-3:C[6]-3:C-3:	C[6]-4:C-3:	C(N[6]C[6]2)(OC[6])(O)	N[6](C[6]C[6]H)2(COO)	O(C[6]C[6]2H)(CN[6]O)	C(N[6]C[6]2)(OC[6])(O)	N[6](C[6]C[6]H)2(COO){1|C<3>,2|H<1>}	O(C[6]C[6]2H)(CN[6]O)	109.7870	0.000	1	109.7870	0.000	1	109.7870	0.000	1	109.6240	0.053	2	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	3:4:3:	3:3:	N[6]-3:O-2:O-1:	C[6,6a]-3:C[6]-4:C-3:	C[6a]-3:C-3:	C(N[6]C[6,6a]C[6])(OC[6a])(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO)	O(C[6a]C[6a]2)(CN[6]O)	C(N[6]C[6,6a]C[6])(OC[6a])(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO){2|H<1>,5|C<3>}	O(C[6a]C[6a]2)(CN[6]O)	110.7650	0.000	1	110.7650	0.000	1	110.7650	0.000	1	110.7650	0.000	1	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	3:4:3:	3:4:	N[6]-3:O-2:O-1:	C[6,6a]-3:C[5,6]-4:C-3:	C-3:C-4:	C(N[6]C[6,6a]C[5,6])(OC)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]S[5]H)(COO)	O(CN[6]O)(CH3)	C(N[6]C[6,6a]C[5,6])(OC)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]S[5]H)(COO){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	O(CN[6]O)(CH3)	109.7600	0.000	1	109.7600	0.000	1	109.7600	0.000	1	110.9512	0.788	40	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	3:4:3:	3:4:	N[6]-3:O-2:O-1:	C[6,6a]-3:C[6,6]-4:C-3:	C-3:C-4:	C(N[6]C[6,6a]C[6,6])(OC)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(COO)	O(CN[6]O)(CH3)	C(N[6]C[6,6a]C[6,6])(OC)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(COO){1|C<4>,1|H<1>,5|C<3>}	O(CN[6]O)(CH3)	111.5405	0.039	2	111.5405	0.002	2	111.0097	0.846	3	110.9512	0.788	40	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	3:4:3:	3:4:	N[6]-3:O-2:O-1:	C[6,6a]-3:C[6,6]-4:C-3:	C-3:C-4:	C(N[6]C[6,6a]C[6,6])(OC)(O)	N[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]O[6]H)(COO)	O(CN[6]O)(CC3)	C(N[6]C[6,6a]C[6,6])(OC)(O)	N[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]O[6]H)(COO){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	O(CN[6]O)(CC3)	109.9480	0.000	1	109.9480	0.000	1	111.0097	0.846	3	110.9512	0.788	40	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	3:4:3:	3:4:	N[6]-3:O-2:O-1:	C[6,6a]-3:C[6]-4:C-3:	C-3:C-4:	C(N[6]C[6,6a]C[6])(OC)(O)	N[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6a]C[6]N)(COO)	O(CN[6]O)(CCHH)	C(N[6]C[6,6a]C[6])(OC)(O)	N[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6a]C[6]N)(COO){2|H<1>,5|C<3>}	O(CN[6]O)(CCHH)	111.3790	0.000	1	111.3790	0.000	1	111.1329	0.746	30	110.9512	0.788	40	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	3:4:3:	3:4:	N[6]-3:O-2:O-1:	C[6,6a]-3:C[6]-4:C-3:	C-3:C-4:	C(N[6]C[6,6a]C[6])(OC)(O)	N[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6,6]CO)(COO)	O(CN[6]O)(CH3)	C(N[6]C[6,6a]C[6])(OC)(O)	N[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6,6]CO)(COO){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O(CN[6]O)(CH3)	112.2160	0.000	1	112.2160	0.000	1	111.1329	0.746	30	110.9512	0.788	40	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	3:4:3:	3:4:	N[6]-3:O-2:O-1:	C[6,6a]-3:C[6]-4:C-3:	C-3:C-4:	C(N[6]C[6,6a]C[6])(OC)(O)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(COO)	O(CN[6]O)(CC3)	C(N[6]C[6,6a]C[6])(OC)(O)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(COO){3|C<3>,3|H<1>}	O(CN[6]O)(CC3)	110.4395	0.824	2	110.4395	0.679	2	111.1329	0.746	30	110.9512	0.788	40	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	3:4:3:	3:4:	N[6]-3:O-2:O-1:	C[6,6a]-3:C[6]-4:C-3:	C-3:C-4:	C(N[6]C[6,6a]C[6])(OC)(O)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(COO)	O(CN[6]O)(CH3)	C(N[6]C[6,6a]C[6])(OC)(O)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(COO){3|C<3>,3|H<1>}	O(CN[6]O)(CH3)	110.7340	0.000	1	110.7340	0.000	1	111.1329	0.746	30	110.9512	0.788	40	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	3:4:3:	3:4:	N[6]-3:O-2:O-1:	C[6,6a]-3:C[6]-4:C-3:	C-3:C-4:	C(N[6]C[6,6a]C[6])(OC)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(COO)	O(CN[6]O)(CCHH)	C(N[6]C[6,6a]C[6])(OC)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(COO){1|C<4>,1|H<1>,3|C<3>}	O(CN[6]O)(CCHH)	111.6690	0.000	1	111.6690	0.000	1	111.1329	0.746	30	110.9512	0.788	40	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	3:4:3:	3:4:	N[6]-3:O-2:O-1:	C[6,6a]-3:C[6]-4:C-3:	C-3:C-4:	C(N[6]C[6,6a]C[6])(OC)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(COO)	O(CN[6]O)(CH3)	C(N[6]C[6,6a]C[6])(OC)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(COO){1|C<4>,2|H<1>,5|C<3>}	O(CN[6]O)(CH3)	112.3190	0.650	3	112.3190	0.422	3	111.1329	0.746	30	110.9512	0.788	40	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	3:4:3:	3:4:	N[6]-3:O-2:O-1:	C[6,6a]-3:C[6]-4:C-3:	C-3:C-4:	C(N[6]C[6,6a]C[6])(OC)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(COO)	O(CN[6]O)(CH3)	C(N[6]C[6,6a]C[6])(OC)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(COO){1|H<1>,4|C<3>}	O(CN[6]O)(CH3)	111.7133	0.107	3	111.7133	0.011	3	111.1329	0.746	30	110.9512	0.788	40	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	3:4:3:	3:4:	N[6]-3:O-2:O-1:	C[6,6a]-3:C[6]-4:C-3:	C-3:C-4:	C(N[6]C[6,6a]C[6])(OC)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(COO)	O(CN[6]O)(CH3)	C(N[6]C[6,6a]C[6])(OC)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(COO){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	O(CN[6]O)(CH3)	111.1465	0.009	2	110.6710	0.878	5	111.1329	0.746	30	110.9512	0.788	40	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	3:4:3:	3:4:	N[6]-3:O-2:O-1:	C[6,6a]-3:C[6]-4:C-3:	C-3:C-4:	C(N[6]C[6,6a]C[6])(OC)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(COO)	O(CN[6]O)(CH3)	C(N[6]C[6,6a]C[6])(OC)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(COO){2|H<1>,3|C<3>}	O(CN[6]O)(CH3)	110.3540	1.174	3	110.6710	0.878	5	111.1329	0.746	30	110.9512	0.788	40	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	3:4:3:	3:4:	N[6]-3:O-2:O-1:	C[6,6a]-3:C[6]-4:C-3:	C-3:C-4:	C(N[6]C[6,6a]C[6])(OC)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(COO)	O(CN[6]O)(CC3)	C(N[6]C[6,6a]C[6])(OC)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(COO){1|O<2>,2|C<3>,3|H<1>}	O(CN[6]O)(CC3)	111.2770	0.083	2	111.2770	0.007	2	111.1329	0.746	30	110.9512	0.788	40	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	3:4:3:	3:4:	N[6]-3:O-2:O-1:	C[6,6a]-3:C[6]-4:C-3:	C-3:C-4:	C(N[6]C[6,6a]C[6])(OC)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(COO)	O(CN[6]O)(CCHH)	C(N[6]C[6,6a]C[6])(OC)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(COO){1|Br<1>,1|H<1>,3|C<3>}	O(CN[6]O)(CCHH)	111.6870	0.000	1	111.6870	0.000	1	111.1329	0.746	30	110.9512	0.788	40	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	3:4:3:	3:4:	N[6]-3:O-2:O-1:	C[6,6a]-3:C[6]-4:C-3:	C-3:C-4:	C(N[6]C[6,6a]C[6])(OC)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(COO)	O(CN[6]O)(CH3)	C(N[6]C[6,6a]C[6])(OC)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(COO){1|C<4>,2|C<3>,3|H<1>}	O(CN[6]O)(CH3)	110.5700	0.000	1	110.5700	0.000	1	111.1329	0.746	30	110.9512	0.788	40	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	3:4:3:	3:4:	N[6]-3:O-2:O-1:	C[6,6a]-3:C[6]-4:C-3:	C-3:C-4:	C(N[6]C[6,6a]C[6])(OC)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(COO)	O(CN[6]O)(CC3)	C(N[6]C[6,6a]C[6])(OC)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(COO){1|C<4>,2|H<1>,3|C<3>}	O(CN[6]O)(CC3)	112.0300	0.000	1	112.0300	0.000	1	111.1329	0.746	30	110.9512	0.788	40	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	3:4:3:	3:4:	N[6]-3:O-2:O-1:	C[6,6a]-3:C[6]-4:C-3:	C-3:C-4:	C(N[6]C[6,6a]C[6])(OC)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(COO)	O(CN[6]O)(CCHH)	C(N[6]C[6,6a]C[6])(OC)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(COO){1|Ni<4>,1|C<4>,2|C<3>,2|H<1>}	O(CN[6]O)(CCHH)	111.8690	0.000	1	111.8690	0.000	1	111.1329	0.746	30	110.9512	0.788	40	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	3:4:3:	3:4:	N[6]-3:O-2:O-1:	C[6,6a]-3:C[6]-4:C-3:	C-3:C-4:	C(N[6]C[6,6a]C[6])(OC)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]NiH)(COO)	O(CN[6]O)(CCHH)	C(N[6]C[6,6a]C[6])(OC)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]NiH)(COO){1|C<4>,2|C<3>,2|H<1>}	O(CN[6]O)(CCHH)	110.7720	0.000	1	110.7720	0.000	1	111.1329	0.746	30	110.9512	0.788	40	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	3:4:3:	3:4:	N[6]-3:O-2:O-1:	C[6,6a]-3:C[6]-4:C-3:	C-3:C-4:	C(N[6]C[6,6a]C[6])(OC)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(COO)	O(CN[6]O)(CC3)	C(N[6]C[6,6a]C[6])(OC)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(COO){1|C<4>,3|H<1>,4|C<3>}	O(CN[6]O)(CC3)	109.8675	0.504	2	109.8675	0.254	2	111.1329	0.746	30	110.9512	0.788	40	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	3:4:3:	3:4:	N[6]-3:O-2:O-1:	C[6,6a]-3:C[6]-4:C-3:	C-3:C-4:	C(N[6]C[6,6a]C[6])(OC)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO)	O(CN[6]O)(CC3)	C(N[6]C[6,6a]C[6])(OC)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO){1|C<4>,3|H<1>,4|C<3>}	O(CN[6]O)(CC3)	111.3100	0.000	1	111.3100	0.000	1	111.1329	0.746	30	110.9512	0.788	40	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	3:4:3:	3:4:	N[6]-3:O-2:O-1:	C[6,6a]-3:C[6]-4:C-3:	C-3:C-4:	C(N[6]C[6,6a]C[6])(OC)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO)	O(CN[6]O)(CCHH)	C(N[6]C[6,6a]C[6])(OC)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO){2|H<1>,6|C<3>}	O(CN[6]O)(CCHH)	110.2080	0.000	1	110.2080	0.000	1	111.1329	0.746	30	110.9512	0.788	40	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	3:4:3:	3:4:	N[6]-3:O-2:O-1:	C[6,6a]-3:C[6]-4:C-3:	C-3:C-4:	C(N[6]C[6,6a]C[6])(OC)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO)	O(CN[6]O)(CH3)	C(N[6]C[6,6a]C[6])(OC)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO){1|B<3>,1|C<4>,2|H<1>,4|C<3>}	O(CN[6]O)(CH3)	110.4610	0.491	2	110.4610	0.241	2	111.1329	0.746	30	110.9512	0.788	40	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	3:4:3:	3:4:	N[6]-3:O-2:O-1:	C[6]-3:C[6]-4:C-3:	C-3:C-4:	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(COO)	O(CN[6]O)(CC3)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(COO){1|C<3>,1|C<4>,2|H<1>}	O(CN[6]O)(CC3)	110.3035	0.725	2	110.3035	0.525	2	110.3564	0.267	5	110.9512	0.788	40	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	3:4:3:	3:4:	N[6]-3:O-2:O-1:	C[6]-3:C[6]-4:C-3:	C-3:C-4:	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6a]C[6])(C[6]C[6]CH)(COO)	O(CN[6]O)(CC3)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6a]C[6])(C[6]C[6]CH)(COO){1|Br<1>,2|H<1>,3|C<3>}	O(CN[6]O)(CC3)	109.8750	0.000	1	110.3917	0.267	3	110.3564	0.267	5	110.9512	0.788	40	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	3:4:3:	3:4:	N[6]-3:O-2:O-1:	C[6]-3:C[6]-4:C-3:	C-3:C-4:	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6a]C[6])(C[6]C[6]CH)(COO)	O(CN[6]O)(CC3)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6a]C[6])(C[6]C[6]CH)(COO){1|I<1>,2|H<1>,3|C<3>}	O(CN[6]O)(CC3)	110.6500	0.366	2	110.3917	0.267	3	110.3564	0.267	5	110.9512	0.788	40	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	3:4:3:	3:4:	N[6]-3:O-2:O-1:	N[5,6]-3:C[6]-4:C-3:	C-3:C-4:	C(N[6]N[5,6]C[6])(OC)(O)	N[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(COO)	O(CN[6]O)(CC3)	C(N[6]N[5,6]C[6])(OC)(O)	N[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(COO){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	O(CN[6]O)(CC3)	109.4890	0.000	1	109.4890	0.000	1	109.4890	0.000	1	110.9512	0.788	40	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	3:4:3:	4:3:	N[6]-3:O-2:O-1:	C[6,6a]-3:C[6]-4:C-3:	C[3x6]-4:C-3:	C(N[6]C[6,6a]C[6])(OC[3x6])(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(COO)	O(C[3x6]C[6,6]3)(CN[6]O)	C(N[6]C[6,6a]C[6])(OC[3x6])(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(COO){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	O(C[3x6]C[6,6]3)(CN[6]O)	109.8290	0.000	1	109.8290	0.000	1	109.8290	0.000	1	110.8775	2.199	2	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	3:4:3:	4:3:	N[6]-3:O-2:O-1:	N[6]-3:C[6]-4:C-3:	C-4:C-3:	C(N[6]C[6]N[6])(OC)(O)	N[6](N[6]C[6a]C[6])(C[6]C[6]HH)(COO)	O(CC[6a]HH)(CN[6]O)	C(N[6]C[6]N[6])(OC)(O)	N[6](N[6]C[6a]C[6])(C[6]C[6]HH)(COO){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	O(CC[6a]HH)(CN[6]O)	111.9260	0.000	1	111.9260	0.000	1	111.9260	0.000	1	110.8775	2.199	2	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:2:3:	3:4:	N[6]-3:O-2:O-1:	C[6]-4:O[6]-2:C-3:	C-3:C-4:	C(N[6]C[6]O[6])(OC)(O)	N[6](C[6]C[6]CH)(O[6]C[6])(COO)	O(CN[6]O)(CC3)	C(N[6]C[6]O[6])(OC)(O)	N[6](C[6]C[6]CH)(O[6]C[6])(COO){1|C<3>,1|C<4>,2|H<1>}	O(CN[6]O)(CC3)	110.7980	0.000	1	110.7980	0.000	1	110.7980	0.000	1	110.7980	0.000	1	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:3:3:	3:3:	N[6]-3:O-2:O-1:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C-3:	C(N[6]C[6]2)(OC[6a])(O)	N[6](C[6]C[6,6a]C[5]H)(C[6]C[6]H)(COO)	O(C[6a]C[6a]2)(CN[6]O)	C(N[6]C[6]2)(OC[6a])(O)	N[6](C[6]C[6,6a]C[5]H)(C[6]C[6]H)(COO){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	O(C[6a]C[6a]2)(CN[6]O)	110.0700	0.875	3	110.0700	0.766	3	109.3492	2.589	4	109.3492	2.589	4	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:3:3:	3:3:	N[6]-3:O-2:O-1:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C-3:	C(N[6]C[6]2)(OC[6a])(O)	N[6](C[6]C[6]HH)(C[6]N[6]C)(COO)	O(C[6a]C[6a]2)(CN[6]O)	C(N[6]C[6]2)(OC[6a])(O)	N[6](C[6]C[6]HH)(C[6]N[6]C)(COO){2|C<4>,2|H<1>}	O(C[6a]C[6a]2)(CN[6]O)	107.1870	0.000	1	107.1870	0.000	1	109.3492	2.589	4	109.3492	2.589	4	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:3:3:	3:4:	N[6]-3:O-2:O-1:	C[5,6]-4:C[6]-3:C-3:	C-3:C-4:	C(N[6]C[5,6]C[6])(OC)(O)	N[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]N)(COO)	O(CN[6]O)(CC3)	C(N[6]C[5,6]C[6])(OC)(O)	N[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]N)(COO){1|C<3>,2|H<1>,3|C<4>}	O(CN[6]O)(CC3)	110.9300	0.000	1	110.9300	0.000	1	111.0087	0.126	3	110.5017	2.111	33	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:3:3:	3:4:	N[6]-3:O-2:O-1:	C[5,6]-4:C[6]-3:C-3:	C-3:C-4:	C(N[6]C[5,6]C[6])(OC)(O)	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[5a,6]O)(COO)	O(CN[6]O)(CC3)	C(N[6]C[5,6]C[6])(OC)(O)	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[5a,6]O)(COO){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	O(CN[6]O)(CC3)	111.3960	0.000	1	111.3960	0.000	1	111.0087	0.126	3	110.5017	2.111	33	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:3:3:	3:4:	N[6]-3:O-2:O-1:	C[5,6]-4:C[6]-3:C-3:	C-3:C-4:	C(N[6]C[5,6]C[6])(OC)(O)	N[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]C[6]N)(COO)	O(CN[6]O)(CC3)	C(N[6]C[5,6]C[6])(OC)(O)	N[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]C[6]N)(COO){1|C<2>,1|C<4>,1|N<3>,1|O<1>,3|C<3>}	O(CN[6]O)(CC3)	110.7000	0.000	1	110.7000	0.000	1	111.0087	0.126	3	110.5017	2.111	33	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:3:3:	3:4:	N[6]-3:O-2:O-1:	C[6,6]-4:C[6]-3:C-3:	C-3:C-4:	C(N[6]C[6,6]C[6])(OC)(O)	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(COO)	O(CN[6]O)(CH3)	C(N[6]C[6,6]C[6])(OC)(O)	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(COO){1|C<3>,1|C<4>,1|H<1>,2|F<1>}	O(CN[6]O)(CH3)	110.8190	0.000	1	110.2875	0.565	2	110.2875	0.565	2	110.5017	2.111	33	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:3:3:	3:4:	N[6]-3:O-2:O-1:	C[6,6]-4:C[6]-3:C-3:	C-3:C-4:	C(N[6]C[6,6]C[6])(OC)(O)	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(COO)	O(CN[6]O)(CH3)	C(N[6]C[6,6]C[6])(OC)(O)	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(COO){1|C<3>,1|C<4>,1|I<1>,2|H<1>}	O(CN[6]O)(CH3)	109.7560	0.000	1	110.2875	0.565	2	110.2875	0.565	2	110.5017	2.111	33	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:3:3:	3:4:	N[6]-3:O-2:O-1:	C[6]-4:C[6]-3:C-3:	C-3:C-4:	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6,6a]CH)(C[6]C[6]C)(COO)	O(CN[6]O)(CH3)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6,6a]CH)(C[6]C[6]C)(COO){1|H<1>,2|C<3>}	O(CN[6]O)(CH3)	112.7190	0.000	1	112.7190	0.000	1	110.2238	2.366	21	110.5017	2.111	33	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:3:3:	3:4:	N[6]-3:O-2:O-1:	C[6]-4:C[6]-3:C-3:	C-3:C-4:	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6,6a]CH)(C[6]C[6]H)(COO)	O(CN[6]O)(CCHH)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6,6a]CH)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	O(CN[6]O)(CCHH)	110.7085	1.108	2	110.7085	1.228	2	110.2238	2.366	21	110.5017	2.111	33	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:3:3:	3:4:	N[6]-3:O-2:O-1:	C[6]-4:C[6]-3:C-3:	C-3:C-4:	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6,6a]C[6a]C)(C[6]C[6]H)(COO)	O(CN[6]O)(CH3)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6,6a]C[6a]C)(C[6]C[6]H)(COO){1|H<1>,4|C<3>}	O(CN[6]O)(CH3)	111.2450	0.000	1	111.2450	0.000	1	110.2238	2.366	21	110.5017	2.111	33	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:3:3:	3:4:	N[6]-3:O-2:O-1:	C[6]-4:C[6]-3:C-3:	C-3:C-4:	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6,6a]N[5a]H)(C[6]C[6]H)(COO)	O(CN[6]O)(CC3)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6,6a]N[5a]H)(C[6]C[6]H)(COO){1|H<1>,4|C<3>}	O(CN[6]O)(CC3)	109.2835	1.319	2	109.2835	1.739	2	110.2238	2.366	21	110.5017	2.111	33	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:3:3:	3:4:	N[6]-3:O-2:O-1:	C[6]-4:C[6]-3:C-3:	C-3:C-4:	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]2H)(C[6]C[6]O)(COO)	O(CN[6]O)(CC3)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]2H)(C[6]C[6]O)(COO){4|C<4>,4|H<1>}	O(CN[6]O)(CC3)	108.7290	0.000	1	108.7290	0.000	1	110.2238	2.366	21	110.5017	2.111	33	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:3:3:	3:4:	N[6]-3:O-2:O-1:	C[6]-4:C[6]-3:C-3:	C-3:C-4:	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]CH)(C[6]C[6]H)(COO)	O(CN[6]O)(CCHH)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]CH)(C[6]C[6]H)(COO){1|C<3>,3|H<1>}	O(CN[6]O)(CCHH)	109.4710	0.000	1	109.4710	0.000	1	110.2238	2.366	21	110.5017	2.111	33	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:3:3:	3:4:	N[6]-3:O-2:O-1:	C[6]-4:C[6]-3:C-3:	C-3:C-4:	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(COO)	O(CN[6]O)(CC3)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(COO){1|C<3>,3|H<1>}	O(CN[6]O)(CC3)	109.7493	1.973	3	109.8720	1.585	7	110.2238	2.366	21	110.5017	2.111	33	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:3:3:	3:4:	N[6]-3:O-2:O-1:	C[6]-4:C[6]-3:C-3:	C-3:C-4:	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(COO)	O(CN[6]O)(CC3)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(COO){1|C<4>,1|O<2>,3|H<1>}	O(CN[6]O)(CC3)	109.5350	0.752	2	109.8720	1.585	7	110.2238	2.366	21	110.5017	2.111	33	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:3:3:	3:4:	N[6]-3:O-2:O-1:	C[6]-4:C[6]-3:C-3:	C-3:C-4:	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(COO)	O(CN[6]O)(CC3)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(COO){1|C<4>,4|H<1>}	O(CN[6]O)(CC3)	110.3930	0.584	2	109.8720	1.585	7	110.2238	2.366	21	110.5017	2.111	33	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:3:3:	3:4:	N[6]-3:O-2:O-1:	C[6]-4:C[6]-3:C-3:	C-3:C-4:	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]HH)(C[6]C[6]C)(COO)	O(CN[6]O)(CC3)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]HH)(C[6]C[6]C)(COO){1|N<3>,1|O<2>,2|H<1>}	O(CN[6]O)(CC3)	110.6890	0.000	1	110.6890	0.000	1	110.2238	2.366	21	110.5017	2.111	33	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:3:3:	3:4:	N[6]-3:O-2:O-1:	C[6]-4:C[6]-3:C-3:	C-3:C-4:	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]HH)(C[6]N[6]C)(COO)	O(CN[6]O)(CH3)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]HH)(C[6]N[6]C)(COO){2|C<4>,2|H<1>}	O(CN[6]O)(CH3)	109.3640	0.000	1	109.3640	0.000	1	110.2238	2.366	21	110.5017	2.111	33	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:3:3:	3:4:	N[6]-3:O-2:O-1:	C[6]-4:C[6]-3:C-3:	C-3:C-4:	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]HH)(C[6]N[6]N)(COO)	O(CN[6]O)(CCHH)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]HH)(C[6]N[6]N)(COO){2|C<4>,2|H<1>}	O(CN[6]O)(CCHH)	109.0150	0.000	1	109.0150	0.000	1	110.2238	2.366	21	110.5017	2.111	33	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:3:3:	3:4:	N[6]-3:O-2:O-1:	C[6]-4:C[6]-3:C-3:	C-3:C-4:	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]HH)(C[6]O[6]O)(COO)	O(CN[6]O)(CC3)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]HH)(C[6]O[6]O)(COO){1|C<3>,2|H<1>}	O(CN[6]O)(CC3)	108.3420	0.000	1	108.3420	0.000	1	110.2238	2.366	21	110.5017	2.111	33	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:3:3:	3:4:	N[6]-3:O-2:O-1:	C[6]-4:C[6]-3:C-3:	C-3:C-4:	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(COO)	O(CN[6]O)(CC3)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(COO){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	O(CN[6]O)(CC3)	113.0190	0.291	2	113.0190	0.085	2	110.2238	2.366	21	110.5017	2.111	33	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:3:3:	3:4:	N[6]-3:O-2:O-1:	C[6]-4:N[6]-3:C-3:	C-3:C-4:	C(N[6]C[6]N[6])(OC)(O)	N[6](C[6]C[4,6]HH)(N[6]C[6]C)(COO)	O(CN[6]O)(CCHH)	C(N[6]C[6]N[6])(OC)(O)	N[6](C[6]C[4,6]HH)(N[6]C[6]C)(COO){2|C<4>,3|H<1>}	O(CN[6]O)(CCHH)	111.9020	0.048	2	111.9020	0.002	2	111.1793	2.287	7	110.5017	2.111	33	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:3:3:	3:4:	N[6]-3:O-2:O-1:	C[6]-4:N[6]-3:C-3:	C-3:C-4:	C(N[6]C[6]N[6])(OC)(O)	N[6](C[6]C[6]BrH)(N[6]C[6]C)(COO)	O(CN[6]O)(CCCH)	C(N[6]C[6]N[6])(OC)(O)	N[6](C[6]C[6]BrH)(N[6]C[6]C)(COO){1|C<3>,1|H<1>,1|O<1>}	O(CN[6]O)(CCCH)	108.3750	0.000	1	108.3750	0.000	1	111.1793	2.287	7	110.5017	2.111	33	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:3:3:	3:4:	N[6]-3:O-2:O-1:	C[6]-4:N[6]-3:C-3:	C-3:C-4:	C(N[6]C[6]N[6])(OC)(O)	N[6](C[6]C[6]CH)(N[6]C[6]C)(COO)	O(CN[6]O)(CC3)	C(N[6]C[6]N[6])(OC)(O)	N[6](C[6]C[6]CH)(N[6]C[6]C)(COO){1|C<4>,2|C<3>,2|H<1>}	O(CN[6]O)(CC3)	111.3680	0.000	1	111.3680	0.000	1	111.1793	2.287	7	110.5017	2.111	33	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:3:3:	3:4:	N[6]-3:O-2:O-1:	C[6]-4:N[6]-3:C-3:	C-3:C-4:	C(N[6]C[6]N[6])(OC)(O)	N[6](C[6]C[6]HH)(N[6]N[6]C)(COO)	O(CN[6]O)(CCCH)	C(N[6]C[6]N[6])(OC)(O)	N[6](C[6]C[6]HH)(N[6]N[6]C)(COO){1|N<2>,2|C<3>}	O(CN[6]O)(CCCH)	112.3880	0.000	1	112.3880	0.000	1	111.1793	2.287	7	110.5017	2.111	33	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:3:3:	3:4:	N[6]-3:O-2:O-1:	C[6]-4:N[6]-3:C-3:	C-3:C-4:	C(N[6]C[6]N[6])(OC)(O)	N[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(COO)	O(CN[6]O)(CC3)	C(N[6]C[6]N[6])(OC)(O)	N[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(COO){1|C<4>,3|C<3>,3|H<1>}	O(CN[6]O)(CC3)	112.4470	0.000	1	112.4470	0.000	1	111.1793	2.287	7	110.5017	2.111	33	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:3:3:	3:4:	N[6]-3:O-2:O-1:	C[6]-4:N[6]-3:C-3:	C-3:C-4:	C(N[6]C[6]N[6])(OC)(O)	N[6](C[6]N[6]HH)(N[6]C[6]C)(COO)	O(CN[6]O)(CC3)	C(N[6]C[6]N[6])(OC)(O)	N[6](C[6]N[6]HH)(N[6]C[6]C)(COO){1|O<1>,2|C<3>}	O(CN[6]O)(CC3)	109.8730	0.000	1	109.8730	0.000	1	111.1793	2.287	7	110.5017	2.111	33	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:3:3:	4:3:	N[6]-3:O-2:O-1:	C[6]-4:C[6]-3:C-3:	C-4:C-3:	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[5,6]CH)(C[6]O[6]O)(COO)	O(CC[6a]HH)(CN[6]O)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[5,6]CH)(C[6]O[6]O)(COO){1|C<4>,1|H<1>,1|N<3>}	O(CC[6a]HH)(CN[6]O)	109.8630	0.000	1	109.8630	0.000	1	110.7334	0.481	5	110.9573	0.475	7	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:3:3:	4:3:	N[6]-3:O-2:O-1:	C[6]-4:C[6]-3:C-3:	C-4:C-3:	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6,6a]HH)(C[6]C[6a]C[6])(COO)	O(CC[6a]HH)(CN[6]O)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6,6a]HH)(C[6]C[6a]C[6])(COO){1|H<1>,4|C<3>}	O(CC[6a]HH)(CN[6]O)	111.3820	0.000	1	111.3820	0.000	1	110.7334	0.481	5	110.9573	0.475	7	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:3:3:	4:3:	N[6]-3:O-2:O-1:	C[6]-4:C[6]-3:C-3:	C-4:C-3:	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]CH)(C[6]C[6]H)(COO)	O(CC[5]HH)(CN[6]O)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]CH)(C[6]C[6]H)(COO){1|H<1>,1|N<3>,1|O<1>}	O(CC[5]HH)(CN[6]O)	110.8170	0.000	1	110.8170	0.000	1	110.7334	0.481	5	110.9573	0.475	7	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:3:3:	4:3:	N[6]-3:O-2:O-1:	C[6]-4:C[6]-3:C-3:	C-4:C-3:	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]CH)(C[6]C[6]H)(COO)	O(CC[6a]HH)(CN[6]O)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]CH)(C[6]C[6]H)(COO){1|H<1>,1|N<3>,1|O<1>}	O(CC[6a]HH)(CN[6]O)	110.8025	0.853	2	110.8025	0.728	2	110.7334	0.481	5	110.9573	0.475	7	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:3:3:	4:3:	N[6]-3:O-2:O-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C-3:	C(N[6]C[6]2)(OC[6])(O)	N[6](C[6]C[6]CH)(C[6]C[6]H)(COO)	O(C[6]C[6]2H)(CN[6]O)	C(N[6]C[6]2)(OC[6])(O)	N[6](C[6]C[6]CH)(C[6]C[6]H)(COO){1|Si<4>,1|C<3>,2|H<1>}	O(C[6]C[6]2H)(CN[6]O)	111.3630	0.000	1	111.3630	0.000	1	111.3630	0.000	1	110.9573	0.475	7	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:3:3:	4:3:	N[6]-3:O-2:O-1:	C[6]-4:S[6]-3:C-3:	C-4:C-3:	C(N[6]C[6]S[6])(OC)(O)	N[6](C[6]C[6]CH)(S[6]C[6]O)(COO)	O(CC[6a]HH)(CN[6]O)	C(N[6]C[6]S[6])(OC)(O)	N[6](C[6]C[6]CH)(S[6]C[6]O)(COO){1|C<3>,3|H<1>}	O(CC[6a]HH)(CN[6]O)	111.6710	0.000	1	111.6710	0.000	1	111.6710	0.000	1	110.9573	0.475	7	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:4:3:	3:3:	N[6]-3:O-2:O-1:	C[3,4,6]-4:C[6]-4:C-3:	C[6a]-3:C-3:	C(N[6]C[3,4,6]C[6])(OC[6a])(O)	N[6](C[3,4,6]C[3,4,6]C[4,6,6]C[3,6])(C[6]C[6,6]HH)(COO)	O(C[6a]C[6a]2)(CN[6]O)	C(N[6]C[3,4,6]C[6])(OC[6a])(O)	N[6](C[3,4,6]C[3,4,6]C[4,6,6]C[3,6])(C[6]C[6,6]HH)(COO){1|O<2>,3|H<1>,4|C<4>}	O(C[6a]C[6a]2)(CN[6]O)	112.5710	0.000	1	112.5710	0.000	1	112.5710	0.000	1	111.7636	1.968	8	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:4:3:	3:3:	N[6]-3:O-2:O-1:	C[4,6,6]-4:C[6]-4:C-3:	C[6a]-3:C-3:	C(N[6]C[4,6,6]C[6])(OC[6a])(O)	N[6](C[4,6,6]C[3,4,6]C[4,6,6]C[6])(C[6]C[6]CH)(COO)	O(C[6a]C[6a]2)(CN[6]O)	C(N[6]C[4,6,6]C[6])(OC[6a])(O)	N[6](C[4,6,6]C[3,4,6]C[4,6,6]C[6])(C[6]C[6]CH)(COO){4|C<4>,6|H<1>}	O(C[6a]C[6a]2)(CN[6]O)	112.0960	0.000	1	112.0960	0.000	1	111.8115	0.162	2	111.7636	1.968	8	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:4:3:	3:3:	N[6]-3:O-2:O-1:	C[4,6,6]-4:C[6]-4:C-3:	C[6a]-3:C-3:	C(N[6]C[4,6,6]C[6])(OC[6a])(O)	N[6](C[4,6,6]C[4,6,6]C[4,6]C[6])(C[6]C[6]CH)(COO)	O(C[6a]C[6a]2)(CN[6]O)	C(N[6]C[4,6,6]C[6])(OC[6a])(O)	N[6](C[4,6,6]C[4,6,6]C[4,6]C[6])(C[6]C[6]CH)(COO){1|C<3>,3|C<4>,6|H<1>}	O(C[6a]C[6a]2)(CN[6]O)	111.5270	0.000	1	111.5270	0.000	1	111.8115	0.162	2	111.7636	1.968	8	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:4:3:	3:3:	N[6]-3:O-2:O-1:	C[4,6]-4:C[6]-4:C-3:	C[6a]-3:C-3:	C(N[6]C[4,6]C[6])(OC[6a])(O)	N[6](C[4,6]C[4,6,6]C[4,6]H)(C[6]C[6,6]HH)(COO)	O(C[6a]C[6a]2)(CN[6]O)	C(N[6]C[4,6]C[6])(OC[6a])(O)	N[6](C[4,6]C[4,6,6]C[4,6]H)(C[6]C[6,6]HH)(COO){1|C<3>,3|C<4>,3|H<1>}	O(C[6a]C[6a]2)(CN[6]O)	110.1530	0.000	1	110.1530	0.000	1	110.1530	0.000	1	111.7636	1.968	8	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:4:3:	3:3:	N[6]-3:O-2:O-1:	C[6]-4:C[6]-4:C-3:	C-3:C-3:	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]MoH)(C[6]C[6]CH)(COO)	O(CC[6a]H)(CN[6]O)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]MoH)(C[6]C[6]CH)(COO){1|C<4>,1|H<1>,1|O<1>}	O(CC[6a]H)(CN[6]O)	112.2730	0.000	1	112.2730	0.000	1	112.2730	0.000	1	111.7636	1.968	8	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:4:3:	3:3:	N[6]-3:O-2:O-1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C-3:	C(N[6]C[6]2)(OC[6a])(O)	N[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(COO)	O(C[6a]C[6a]2)(CN[6]O)	C(N[6]C[6]2)(OC[6a])(O)	N[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(COO){1|C<3>,1|N<3>,2|H<1>}	O(C[6a]C[6a]2)(CN[6]O)	112.4735	2.757	2	112.4735	7.601	2	111.8297	5.044	3	111.7636	1.968	8	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:4:3:	3:3:	N[6]-3:O-2:O-1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C-3:	C(N[6]C[6]2)(OC[6a])(O)	N[6](C[6]C[6]HH)2(COO)	O(C[6a]C[6a]2)(CN[6]O)	C(N[6]C[6]2)(OC[6a])(O)	N[6](C[6]C[6]HH)2(COO){1|C<4>,4|H<1>}	O(C[6a]C[6a]2)(CN[6]O)	110.5420	0.000	1	110.5420	0.000	1	111.8297	5.044	3	111.7636	1.968	8	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:4:3:	3:4:	N[6]-3:O-2:O-1:	C[5,5,6]-4:C[6]-4:C-3:	C-3:C-4:	C(N[6]C[5,5,6]C[6])(OC)(O)	N[6](C[5,5,6]C[5,5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(COO)	O(CN[6]O)(CH3)	C(N[6]C[5,5,6]C[6])(OC)(O)	N[6](C[5,5,6]C[5,5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(COO){1|C<3>,2|H<1>,5|C<4>}	O(CN[6]O)(CH3)	113.3350	0.000	1	112.0779	1.183	7	112.0779	1.183	7	111.2853	0.541	111	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:4:3:	3:4:	N[6]-3:O-2:O-1:	C[5,5,6]-4:C[6]-4:C-3:	C-3:C-4:	C(N[6]C[5,5,6]C[6])(OC)(O)	N[6](C[5,5,6]C[5,5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(COO)	O(CN[6]O)(CH3)	C(N[6]C[5,5,6]C[6])(OC)(O)	N[6](C[5,5,6]C[5,5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(COO){1|H<1>,7|C<4>}	O(CN[6]O)(CH3)	110.5970	0.000	1	112.0779	1.183	7	112.0779	1.183	7	111.2853	0.541	111	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:4:3:	3:4:	N[6]-3:O-2:O-1:	C[5,5,6]-4:C[6]-4:C-3:	C-3:C-4:	C(N[6]C[5,5,6]C[6])(OC)(O)	N[6](C[5,5,6]C[5,5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(COO)	O(CN[6]O)(CH3)	C(N[6]C[5,5,6]C[6])(OC)(O)	N[6](C[5,5,6]C[5,5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(COO){2|H<1>,6|C<4>}	O(CN[6]O)(CH3)	112.1226	0.910	5	112.0779	1.183	7	112.0779	1.183	7	111.2853	0.541	111	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:4:3:	3:4:	N[6]-3:O-2:O-1:	C[5,6]-4:C[6]-4:C-3:	C-3:C-4:	C(N[6]C[5,6]C[6])(OC)(O)	N[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(COO)	O(CN[6]O)(CC3)	C(N[6]C[5,6]C[6])(OC)(O)	N[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(COO){1|N<2>,1|O<1>,2|C<4>,2|H<1>}	O(CN[6]O)(CC3)	110.5370	0.000	1	110.2150	0.207	2	110.3918	0.323	4	111.2853	0.541	111	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:4:3:	3:4:	N[6]-3:O-2:O-1:	C[5,6]-4:C[6]-4:C-3:	C-3:C-4:	C(N[6]C[5,6]C[6])(OC)(O)	N[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(COO)	O(CN[6]O)(CC3)	C(N[6]C[5,6]C[6])(OC)(O)	N[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(COO){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	O(CN[6]O)(CC3)	109.8930	0.000	1	110.2150	0.207	2	110.3918	0.323	4	111.2853	0.541	111	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:4:3:	3:4:	N[6]-3:O-2:O-1:	C[5,6]-4:C[6]-4:C-3:	C-3:C-4:	C(N[6]C[5,6]C[6])(OC)(O)	N[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6,6a]CH)(COO)	O(CN[6]O)(CH3)	C(N[6]C[5,6]C[6])(OC)(O)	N[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6,6a]CH)(COO){1|Br<1>,1|C<4>,4|C<3>}	O(CN[6]O)(CH3)	111.1330	0.000	1	111.1330	0.000	1	110.3918	0.323	4	111.2853	0.541	111	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:4:3:	3:4:	N[6]-3:O-2:O-1:	C[5,6]-4:C[6]-4:C-3:	C-3:C-4:	C(N[6]C[5,6]C[6])(OC)(O)	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6a]HO)(COO)	O(CN[6]O)(CC3)	C(N[6]C[5,6]C[6])(OC)(O)	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6a]HO)(COO){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	O(CN[6]O)(CC3)	110.0040	0.000	1	110.0040	0.000	1	110.3918	0.323	4	111.2853	0.541	111	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:4:3:	3:4:	N[6]-3:O-2:O-1:	C[6,6]-4:C[6]-4:C-3:	C-3:C-4:	C(N[6]C[6,6]C[6])(OC)(O)	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(COO)	O(CN[6]O)(CC3)	C(N[6]C[6,6]C[6])(OC)(O)	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(COO){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	O(CN[6]O)(CC3)	110.9030	0.000	1	110.9030	0.000	1	111.1496	0.531	11	111.2853	0.541	111	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:4:3:	3:4:	N[6]-3:O-2:O-1:	C[6,6]-4:C[6]-4:C-3:	C-3:C-4:	C(N[6]C[6,6]C[6])(OC)(O)	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(COO)	O(CN[6]O)(CC3)	C(N[6]C[6,6]C[6])(OC)(O)	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(COO){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	O(CN[6]O)(CC3)	110.5260	0.000	1	111.2773	0.455	3	111.1496	0.531	11	111.2853	0.541	111	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:4:3:	3:4:	N[6]-3:O-2:O-1:	C[6,6]-4:C[6]-4:C-3:	C-3:C-4:	C(N[6]C[6,6]C[6])(OC)(O)	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(COO)	O(CN[6]O)(CC3)	C(N[6]C[6,6]C[6])(OC)(O)	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(COO){2|C<3>,2|C<4>,3|H<1>}	O(CN[6]O)(CC3)	111.6530	0.252	2	111.2773	0.455	3	111.1496	0.531	11	111.2853	0.541	111	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:4:3:	3:4:	N[6]-3:O-2:O-1:	C[6,6]-4:C[6]-4:C-3:	C-3:C-4:	C(N[6]C[6,6]C[6])(OC)(O)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(COO)	O(CN[6]O)(CC3)	C(N[6]C[6,6]C[6])(OC)(O)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(COO){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	O(CN[6]O)(CC3)	112.1120	0.000	1	112.1120	0.000	1	111.1496	0.531	11	111.2853	0.541	111	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:4:3:	3:4:	N[6]-3:O-2:O-1:	C[6,6]-4:C[6]-4:C-3:	C-3:C-4:	C(N[6]C[6,6]C[6])(OC)(O)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(COO)	O(CN[6]O)(CC3)	C(N[6]C[6,6]C[6])(OC)(O)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(COO){3|C<4>,5|H<1>}	O(CN[6]O)(CC3)	111.5200	0.027	2	111.5200	0.001	2	111.1496	0.531	11	111.2853	0.541	111	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:4:3:	3:4:	N[6]-3:O-2:O-1:	C[6,6]-4:C[6]-4:C-3:	C-3:C-4:	C(N[6]C[6,6]C[6])(OC)(O)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)	O(CN[6]O)(CC3)	C(N[6]C[6,6]C[6])(OC)(O)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO){1|C<3>,3|C<4>,4|H<1>}	O(CN[6]O)(CC3)	110.3337	0.601	3	110.3337	0.362	3	111.1496	0.531	11	111.2853	0.541	111	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:4:3:	3:4:	N[6]-3:O-2:O-1:	C[6,6]-4:C[6]-4:C-3:	C-3:C-4:	C(N[6]C[6,6]C[6])(OC)(O)	N[6](C[6,6]C[6]3)(C[6]C[6]CH)(COO)	O(CN[6]O)(CC3)	C(N[6]C[6,6]C[6])(OC)(O)	N[6](C[6,6]C[6]3)(C[6]C[6]CH)(COO){1|C<3>,3|C<4>,7|H<1>}	O(CN[6]O)(CC3)	111.7580	0.000	1	111.7580	0.000	1	111.1496	0.531	11	111.2853	0.541	111	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:4:3:	3:4:	N[6]-3:O-2:O-1:	C[6]-4:C[6]-4:C-3:	C-3:C-4:	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[5,5,6,6]HH)2(COO)	O(CN[6]O)(CC3)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[5,5,6,6]HH)2(COO){1|C<3>,2|C<4>,2|O<2>}	O(CN[6]O)(CC3)	110.0430	0.000	1	110.0430	0.000	1	111.2798	0.435	89	111.2853	0.541	111	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:4:3:	3:4:	N[6]-3:O-2:O-1:	C[6]-4:C[6]-4:C-3:	C-3:C-4:	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[5,6]CC)(C[6]C[6]HH)(COO)	O(CN[6]O)(CC3)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[5,6]CC)(C[6]C[6]HH)(COO){1|C<4>,1|N<2>,2|H<1>}	O(CN[6]O)(CC3)	111.0910	0.000	1	111.0910	0.000	1	111.2798	0.435	89	111.2853	0.541	111	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:4:3:	3:4:	N[6]-3:O-2:O-1:	C[6]-4:C[6]-4:C-3:	C-3:C-4:	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[5,6]CH)(C[6]C[6]HH)(COO)	O(CN[6]O)(CC3)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[5,6]CH)(C[6]C[6]HH)(COO){1|C<4>,2|H<1>,2|O<2>}	O(CN[6]O)(CC3)	111.2570	0.000	1	111.2570	0.000	1	111.2798	0.435	89	111.2853	0.541	111	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:4:3:	3:4:	N[6]-3:O-2:O-1:	C[6]-4:C[6]-4:C-3:	C-3:C-4:	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(COO)	O(CN[6]O)(CC3)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(COO){1|N<2>,2|H<1>,3|C<3>}	O(CN[6]O)(CC3)	110.0020	0.000	1	110.0020	0.000	1	111.2798	0.435	89	111.2853	0.541	111	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:4:3:	3:4:	N[6]-3:O-2:O-1:	C[6]-4:C[6]-4:C-3:	C-3:C-4:	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(COO)	O(CN[6]O)(CH3)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(COO){1|C<3>,1|C<4>,3|H<1>}	O(CN[6]O)(CH3)	111.9880	0.000	1	111.4600	0.210	3	111.2798	0.435	89	111.2853	0.541	111	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:4:3:	3:4:	N[6]-3:O-2:O-1:	C[6]-4:C[6]-4:C-3:	C-3:C-4:	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(COO)	O(CN[6]O)(CH3)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(COO){2|C<4>,3|H<1>}	O(CN[6]O)(CH3)	111.1960	0.030	2	111.4600	0.210	3	111.2798	0.435	89	111.2853	0.541	111	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:4:3:	3:4:	N[6]-3:O-2:O-1:	C[6]-4:C[6]-4:C-3:	C-3:C-4:	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(COO)	O(CN[6]O)(CC3)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(COO){1|O<2>,2|C<4>,5|H<1>}	O(CN[6]O)(CC3)	110.6605	0.315	2	110.6605	0.099	2	111.2798	0.435	89	111.2853	0.541	111	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:4:3:	3:4:	N[6]-3:O-2:O-1:	C[6]-4:C[6]-4:C-3:	C-3:C-4:	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(COO)	O(CN[6]O)(CC3)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(COO){1|C<3>,1|N<3>,2|H<1>}	O(CN[6]O)(CC3)	111.6700	0.000	1	111.6700	0.000	1	111.2798	0.435	89	111.2853	0.541	111	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:4:3:	3:4:	N[6]-3:O-2:O-1:	C[6]-4:C[6]-4:C-3:	C-3:C-4:	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(COO)	O(CN[6]O)(CC3)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(COO){2|H<1>,4|C<3>}	O(CN[6]O)(CC3)	111.3280	0.000	1	111.3280	0.000	1	111.2798	0.435	89	111.2853	0.541	111	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:4:3:	3:4:	N[6]-3:O-2:O-1:	C[6]-4:C[6]-4:C-3:	C-3:C-4:	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(COO)	O(CN[6]O)(CC3)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(COO){2|C<3>,2|H<1>}	O(CN[6]O)(CC3)	110.6570	1.368	2	110.6570	1.870	2	111.2798	0.435	89	111.2853	0.541	111	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:4:3:	3:4:	N[6]-3:O-2:O-1:	C[6]-4:C[6]-4:C-3:	C-3:C-4:	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(COO)	O(CN[6]O)(CCHH)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(COO){1|C<3>,1|S<2>,2|H<1>}	O(CN[6]O)(CCHH)	112.3720	0.000	1	112.3720	0.000	1	111.2798	0.435	89	111.2853	0.541	111	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:4:3:	3:4:	N[6]-3:O-2:O-1:	C[6]-4:C[6]-4:C-3:	C-3:C-4:	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6,6]CH)(C[6]C[6]HH)(COO)	O(CN[6]O)(CCHH)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6,6]CH)(C[6]C[6]HH)(COO){1|C<3>,1|C<4>,3|H<1>}	O(CN[6]O)(CCHH)	111.8710	0.000	1	111.8710	0.000	1	111.2798	0.435	89	111.2853	0.541	111	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:4:3:	3:4:	N[6]-3:O-2:O-1:	C[6]-4:C[6]-4:C-3:	C-3:C-4:	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(COO)	O(CN[6]O)(CCHH)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(COO){2|C<4>,3|H<1>}	O(CN[6]O)(CCHH)	111.5670	0.000	1	111.5670	0.000	1	111.2798	0.435	89	111.2853	0.541	111	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:4:3:	3:4:	N[6]-3:O-2:O-1:	C[6]-4:C[6]-4:C-3:	C-3:C-4:	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6,6]HH)2(COO)	O(CN[6]O)(CH3)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6,6]HH)2(COO){2|H<1>,3|C<4>}	O(CN[6]O)(CH3)	111.6030	0.000	1	111.6030	0.000	1	111.2798	0.435	89	111.2853	0.541	111	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:4:3:	3:4:	N[6]-3:O-2:O-1:	C[6]-4:C[6]-4:C-3:	C-3:C-4:	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(COO)	O(CN[6]O)(CH3)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(COO){2|C<3>,2|H<1>}	O(CN[6]O)(CH3)	111.5570	0.000	1	111.5570	0.000	1	111.2798	0.435	89	111.2853	0.541	111	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:4:3:	3:4:	N[6]-3:O-2:O-1:	C[6]-4:C[6]-4:C-3:	C-3:C-4:	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(COO)	O(CN[6]O)(CC3)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(COO){2|C<3>,2|H<1>}	O(CN[6]O)(CC3)	110.1980	0.000	1	110.1980	0.000	1	111.2798	0.435	89	111.2853	0.541	111	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:4:3:	3:4:	N[6]-3:O-2:O-1:	C[6]-4:C[6]-4:C-3:	C-3:C-4:	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]2H)(C[6]C[6]HH)(COO)	O(CN[6]O)(CC3)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]2H)(C[6]C[6]HH)(COO){1|O<2>,3|H<1>,4|C<4>}	O(CN[6]O)(CC3)	110.9580	0.000	1	110.9580	0.000	1	111.2798	0.435	89	111.2853	0.541	111	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:4:3:	3:4:	N[6]-3:O-2:O-1:	C[6]-4:C[6]-4:C-3:	C-3:C-4:	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]2H)(C[6]C[6]HO)(COO)	O(CN[6]O)(CC3)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]2H)(C[6]C[6]HO)(COO){1|C<3>,3|C<4>,4|H<1>}	O(CN[6]O)(CC3)	111.2690	0.000	1	111.2690	0.000	1	111.2798	0.435	89	111.2853	0.541	111	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:4:3:	3:4:	N[6]-3:O-2:O-1:	C[6]-4:C[6]-4:C-3:	C-3:C-4:	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]CC)(C[6]C[6]CH)(COO)	O(CN[6]O)(CC3)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]CC)(C[6]C[6]CH)(COO){1|C<4>,4|H<1>}	O(CN[6]O)(CC3)	111.2610	0.000	1	111.2610	0.000	1	111.2798	0.435	89	111.2853	0.541	111	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:4:3:	3:4:	N[6]-3:O-2:O-1:	C[6]-4:C[6]-4:C-3:	C-3:C-4:	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)	O(CN[6]O)(CC3)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO){1|C<3>,1|C<4>,3|H<1>}	O(CN[6]O)(CC3)	111.0360	0.000	1	111.2095	0.051	8	111.2798	0.435	89	111.2853	0.541	111	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:4:3:	3:4:	N[6]-3:O-2:O-1:	C[6]-4:C[6]-4:C-3:	C-3:C-4:	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)	O(CN[6]O)(CC3)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO){1|C<3>,1|N<3>,3|H<1>}	O(CN[6]O)(CC3)	110.9020	0.000	1	111.2095	0.051	8	111.2798	0.435	89	111.2853	0.541	111	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:4:3:	3:4:	N[6]-3:O-2:O-1:	C[6]-4:C[6]-4:C-3:	C-3:C-4:	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)	O(CN[6]O)(CC3)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO){1|C<4>,1|N<3>,3|H<1>}	O(CN[6]O)(CC3)	111.1480	0.000	1	111.2095	0.051	8	111.2798	0.435	89	111.2853	0.541	111	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:4:3:	3:4:	N[6]-3:O-2:O-1:	C[6]-4:C[6]-4:C-3:	C-3:C-4:	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)	O(CN[6]O)(CC3)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO){1|C<4>,1|O<2>,3|H<1>}	O(CN[6]O)(CC3)	111.3005	0.271	2	111.2095	0.051	8	111.2798	0.435	89	111.2853	0.541	111	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:4:3:	3:4:	N[6]-3:O-2:O-1:	C[6]-4:C[6]-4:C-3:	C-3:C-4:	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)	O(CN[6]O)(CC3)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO){1|C<4>,4|H<1>}	O(CN[6]O)(CC3)	111.2020	0.000	2	111.2095	0.051	8	111.2798	0.435	89	111.2853	0.541	111	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:4:3:	3:4:	N[6]-3:O-2:O-1:	C[6]-4:C[6]-4:C-3:	C-3:C-4:	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)	O(CN[6]O)(CC3)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO){1|N<3>,1|O<1>,2|H<1>}	O(CN[6]O)(CC3)	111.5850	0.000	1	111.2095	0.051	8	111.2798	0.435	89	111.2853	0.541	111	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:4:3:	3:4:	N[6]-3:O-2:O-1:	C[6]-4:C[6]-4:C-3:	C-3:C-4:	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)	O(CN[6]O)(CH3)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO){1|C<3>,1|O<1>,1|O<2>}	O(CN[6]O)(CH3)	111.3910	0.000	1	111.3910	0.000	1	111.2798	0.435	89	111.2853	0.541	111	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:4:3:	3:4:	N[6]-3:O-2:O-1:	C[6]-4:C[6]-4:C-3:	C-3:C-4:	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]CH)(C[6]C[6]HP)(COO)	O(CN[6]O)(CC3)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]CH)(C[6]C[6]HP)(COO){2|C<4>,3|H<1>}	O(CN[6]O)(CC3)	109.5250	0.000	1	109.5250	0.000	1	111.2798	0.435	89	111.2853	0.541	111	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:4:3:	3:4:	N[6]-3:O-2:O-1:	C[6]-4:C[6]-4:C-3:	C-3:C-4:	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]CH)2(COO)	O(CN[6]O)(CC3)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]CH)2(COO){1|C<4>,1|O<2>,3|H<1>}	O(CN[6]O)(CC3)	111.1000	0.000	1	110.9930	0.023	2	111.2798	0.435	89	111.2853	0.541	111	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:4:3:	3:4:	N[6]-3:O-2:O-1:	C[6]-4:C[6]-4:C-3:	C-3:C-4:	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]CH)2(COO)	O(CN[6]O)(CC3)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]CH)2(COO){1|C<4>,4|H<1>}	O(CN[6]O)(CC3)	110.8860	0.000	1	110.9930	0.023	2	111.2798	0.435	89	111.2853	0.541	111	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:4:3:	3:4:	N[6]-3:O-2:O-1:	C[6]-4:C[6]-4:C-3:	C-3:C-4:	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]CH)2(COO)	O(CN[6]O)(CCHH)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]CH)2(COO){1|C<3>,4|H<1>}	O(CN[6]O)(CCHH)	111.8420	0.000	1	111.8420	0.000	1	111.2798	0.435	89	111.2853	0.541	111	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:4:3:	3:4:	N[6]-3:O-2:O-1:	C[6]-4:C[6]-4:C-3:	C-3:C-4:	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]HH)(C[6]O[6]CC)(COO)	O(CN[6]O)(CH3)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]HH)(C[6]O[6]CC)(COO){1|C<4>,1|H<1>,1|O<2>}	O(CN[6]O)(CH3)	110.8180	0.000	1	110.8180	0.000	1	111.2798	0.435	89	111.2853	0.541	111	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:4:3:	3:4:	N[6]-3:O-2:O-1:	C[6]-4:C[6]-4:C-3:	C-3:C-4:	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]HH)2(COO)	O(CN[6]O)(CC3)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]HH)2(COO){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	O(CN[6]O)(CC3)	111.5140	0.000	1	111.2040	0.424	33	111.2798	0.435	89	111.2853	0.541	111	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:4:3:	3:4:	N[6]-3:O-2:O-1:	C[6]-4:C[6]-4:C-3:	C-3:C-4:	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]HH)2(COO)	O(CN[6]O)(CC3)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]HH)2(COO){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(CN[6]O)(CC3)	110.5310	0.000	1	111.2040	0.424	33	111.2798	0.435	89	111.2853	0.541	111	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:4:3:	3:4:	N[6]-3:O-2:O-1:	C[6]-4:C[6]-4:C-3:	C-3:C-4:	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]HH)2(COO)	O(CN[6]O)(CC3)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]HH)2(COO){1|C<3>,1|C<4>,3|H<1>}	O(CN[6]O)(CC3)	112.2020	0.000	1	111.2040	0.424	33	111.2798	0.435	89	111.2853	0.541	111	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:4:3:	3:4:	N[6]-3:O-2:O-1:	C[6]-4:C[6]-4:C-3:	C-3:C-4:	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]HH)2(COO)	O(CN[6]O)(CC3)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]HH)2(COO){1|C<3>,2|C<4>,2|H<1>}	O(CN[6]O)(CC3)	111.2945	0.144	2	111.2040	0.424	33	111.2798	0.435	89	111.2853	0.541	111	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:4:3:	3:4:	N[6]-3:O-2:O-1:	C[6]-4:C[6]-4:C-3:	C-3:C-4:	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]HH)2(COO)	O(CN[6]O)(CC3)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]HH)2(COO){1|C<3>,3|H<1>}	O(CN[6]O)(CC3)	109.6040	0.000	1	111.2040	0.424	33	111.2798	0.435	89	111.2853	0.541	111	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:4:3:	3:4:	N[6]-3:O-2:O-1:	C[6]-4:C[6]-4:C-3:	C-3:C-4:	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]HH)2(COO)	O(CN[6]O)(CC3)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]HH)2(COO){1|C<4>,1|F<1>,3|H<1>}	O(CN[6]O)(CC3)	110.7465	0.019	2	111.2040	0.424	33	111.2798	0.435	89	111.2853	0.541	111	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:4:3:	3:4:	N[6]-3:O-2:O-1:	C[6]-4:C[6]-4:C-3:	C-3:C-4:	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]HH)2(COO)	O(CN[6]O)(CC3)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]HH)2(COO){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	O(CN[6]O)(CC3)	111.1130	0.000	1	111.2040	0.424	33	111.2798	0.435	89	111.2853	0.541	111	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:4:3:	3:4:	N[6]-3:O-2:O-1:	C[6]-4:C[6]-4:C-3:	C-3:C-4:	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]HH)2(COO)	O(CN[6]O)(CC3)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]HH)2(COO){1|C<4>,1|N<2>,2|H<1>}	O(CN[6]O)(CC3)	110.5980	0.000	1	111.2040	0.424	33	111.2798	0.435	89	111.2853	0.541	111	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:4:3:	3:4:	N[6]-3:O-2:O-1:	C[6]-4:C[6]-4:C-3:	C-3:C-4:	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]HH)2(COO)	O(CN[6]O)(CC3)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]HH)2(COO){1|C<4>,2|C<3>,2|H<1>}	O(CN[6]O)(CC3)	112.1645	0.255	2	111.2040	0.424	33	111.2798	0.435	89	111.2853	0.541	111	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:4:3:	3:4:	N[6]-3:O-2:O-1:	C[6]-4:C[6]-4:C-3:	C-3:C-4:	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]HH)2(COO)	O(CN[6]O)(CC3)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]HH)2(COO){1|C<4>,4|H<1>}	O(CN[6]O)(CC3)	111.3446	0.587	12	111.2040	0.424	33	111.2798	0.435	89	111.2853	0.541	111	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:4:3:	3:4:	N[6]-3:O-2:O-1:	C[6]-4:C[6]-4:C-3:	C-3:C-4:	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]HH)2(COO)	O(CN[6]O)(CC3)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]HH)2(COO){1|N<3>,4|H<1>}	O(CN[6]O)(CC3)	111.0693	0.562	9	111.2040	0.424	33	111.2798	0.435	89	111.2853	0.541	111	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:4:3:	3:4:	N[6]-3:O-2:O-1:	C[6]-4:C[6]-4:C-3:	C-3:C-4:	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]HH)2(COO)	O(CN[6]O)(CCCH)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]HH)2(COO){1|S<2>,4|H<1>}	O(CN[6]O)(CCCH)	111.4790	0.000	1	111.4790	0.000	1	111.2798	0.435	89	111.2853	0.541	111	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:4:3:	3:4:	N[6]-3:O-2:O-1:	C[6]-4:C[6]-4:C-3:	C-3:C-4:	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]HH)2(COO)	O(CN[6]O)(CCHH)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]HH)2(COO){1|C<4>,4|H<1>}	O(CN[6]O)(CCHH)	111.6650	0.565	3	111.8267	0.213	11	111.2798	0.435	89	111.2853	0.541	111	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:4:3:	3:4:	N[6]-3:O-2:O-1:	C[6]-4:C[6]-4:C-3:	C-3:C-4:	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]HH)2(COO)	O(CN[6]O)(CCHH)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]HH)2(COO){1|Cl<1>,2|C<4>,2|H<1>}	O(CN[6]O)(CCHH)	112.3720	0.000	1	111.8267	0.213	11	111.2798	0.435	89	111.2853	0.541	111	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:4:3:	3:4:	N[6]-3:O-2:O-1:	C[6]-4:C[6]-4:C-3:	C-3:C-4:	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]HH)2(COO)	O(CN[6]O)(CCHH)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]HH)2(COO){1|N<3>,4|H<1>}	O(CN[6]O)(CCHH)	111.8181	0.432	7	111.8267	0.213	11	111.2798	0.435	89	111.2853	0.541	111	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:4:3:	3:4:	N[6]-3:O-2:O-1:	C[6]-4:C[6]-4:C-3:	C-3:C-4:	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(COO)	O(CN[6]O)(CC3)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(COO){3|C<3>,4|H<1>}	O(CN[6]O)(CC3)	111.0350	0.000	1	111.0350	0.000	1	111.2798	0.435	89	111.2853	0.541	111	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:4:3:	3:4:	N[6]-3:O-2:O-1:	C[6]-4:C[6]-4:C-3:	C-3:C-4:	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO)	O(CN[6]O)(CC3)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO){1|C<4>,1|F<1>,2|C<3>,3|H<1>}	O(CN[6]O)(CC3)	111.3480	0.214	2	111.5707	0.704	6	111.2798	0.435	89	111.2853	0.541	111	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:4:3:	3:4:	N[6]-3:O-2:O-1:	C[6]-4:C[6]-4:C-3:	C-3:C-4:	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO)	O(CN[6]O)(CC3)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O(CN[6]O)(CC3)	112.1957	0.282	3	111.5707	0.704	6	111.2798	0.435	89	111.2853	0.541	111	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:4:3:	3:4:	N[6]-3:O-2:O-1:	C[6]-4:C[6]-4:C-3:	C-3:C-4:	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO)	O(CN[6]O)(CC3)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO){1|C<4>,2|C<3>,4|H<1>}	O(CN[6]O)(CC3)	110.1410	0.000	1	111.5707	0.704	6	111.2798	0.435	89	111.2853	0.541	111	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:4:3:	3:4:	N[6]-3:O-2:O-1:	C[6]-4:C[6]-4:C-3:	C-3:C-4:	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6a]C[6]H)2(COO)	O(CN[6]O)(CCHH)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6a]C[6]H)2(COO){2|C<4>,3|H<1>,4|C<3>}	O(CN[6]O)(CCHH)	111.8420	0.000	1	111.8420	0.000	1	111.2798	0.435	89	111.2853	0.541	111	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:4:3:	4:3:	N[6]-3:O-2:O-1:	C[5,6]-4:C[6]-4:C-3:	C-4:C-3:	C(N[6]C[5,6]C[6])(OC)(O)	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(COO)	O(CC[6a]HH)(CN[6]O)	C(N[6]C[5,6]C[6])(OC)(O)	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(COO){1|O<2>,3|C<3>,3|H<1>}	O(CC[6a]HH)(CN[6]O)	110.6280	0.000	1	110.6280	0.000	1	111.5740	0.671	3	111.4566	0.822	34	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:4:3:	4:3:	N[6]-3:O-2:O-1:	C[5,6]-4:C[6]-4:C-3:	C-4:C-3:	C(N[6]C[5,6]C[6])(OC)(O)	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(COO)	O(CC[6a]HH)(CN[6]O)	C(N[6]C[5,6]C[6])(OC)(O)	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(COO){4|C<4>,5|H<1>}	O(CC[6a]HH)(CN[6]O)	112.0470	0.023	2	112.0470	0.001	2	111.5740	0.671	3	111.4566	0.822	34	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:4:3:	4:3:	N[6]-3:O-2:O-1:	C[6,6]-4:C[6]-4:C-3:	C-4:C-3:	C(N[6]C[6,6]C[6])(OC)(O)	N[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(COO)	O(CC[6a]HH)(CN[6]O)	C(N[6]C[6,6]C[6])(OC)(O)	N[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(COO){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	O(CC[6a]HH)(CN[6]O)	110.6260	0.000	1	110.6260	0.000	1	110.9240	0.178	2	111.4566	0.822	34	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:4:3:	4:3:	N[6]-3:O-2:O-1:	C[6,6]-4:C[6]-4:C-3:	C-4:C-3:	C(N[6]C[6,6]C[6])(OC)(O)	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6a]HH)(COO)	O(CC[6a]HH)(CN[6]O)	C(N[6]C[6,6]C[6])(OC)(O)	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6a]HH)(COO){5|C<3>}	O(CC[6a]HH)(CN[6]O)	111.2220	0.000	1	111.2220	0.000	1	110.9240	0.178	2	111.4566	0.822	34	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:4:3:	4:3:	N[6]-3:O-2:O-1:	C[6]-4:C[6]-4:C-3:	B-4:C-3:	C(N[6]C[6]2)(OB)(O)	N[6](C[6]C[6]CC)2(COO)	O(BC[6a]3)(CN[6]O)	C(N[6]C[6]2)(OB)(O)	N[6](C[6]C[6]CC)2(COO){1|C<4>,4|H<1>}	O(BC[6a]3)(CN[6]O)	114.5910	0.000	1	114.5910	0.000	1	114.5910	0.000	1	111.4566	0.822	34	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:4:3:	4:3:	N[6]-3:O-2:O-1:	C[6]-4:C[6]-4:C-3:	C-4:C-3:	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(COO)	O(CC[6a]HH)(CN[6]O)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(COO){2|C<3>,2|H<1>}	O(CC[6a]HH)(CN[6]O)	110.5845	0.573	2	110.5845	0.329	2	111.4229	0.646	19	111.4566	0.822	34	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:4:3:	4:3:	N[6]-3:O-2:O-1:	C[6]-4:C[6]-4:C-3:	C-4:C-3:	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(COO)	O(CC[6a]HH)(CN[6]O)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(COO){2|C<3>,2|H<1>}	O(CC[6a]HH)(CN[6]O)	111.2330	0.000	1	111.2330	0.000	1	111.4229	0.646	19	111.4566	0.822	34	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:4:3:	4:3:	N[6]-3:O-2:O-1:	C[6]-4:C[6]-4:C-3:	C-4:C-3:	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]2H)(C[6]C[6]HH)(COO)	O(CC[6a]HH)(CN[6]O)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]2H)(C[6]C[6]HH)(COO){1|O<1>,2|H<1>,4|C<4>}	O(CC[6a]HH)(CN[6]O)	110.3530	0.000	2	110.3530	0.000	2	111.4229	0.646	19	111.4566	0.822	34	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:4:3:	4:3:	N[6]-3:O-2:O-1:	C[6]-4:C[6]-4:C-3:	C-4:C-3:	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)	O(CC[5]HH)(CN[6]O)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO){1|C<4>,4|H<1>}	O(CC[5]HH)(CN[6]O)	110.9150	0.000	1	111.6715	1.145	2	111.4229	0.646	19	111.4566	0.822	34	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:4:3:	4:3:	N[6]-3:O-2:O-1:	C[6]-4:C[6]-4:C-3:	C-4:C-3:	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)	O(CC[5]HH)(CN[6]O)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO){1|N<3>,1|O<1>,2|H<1>}	O(CC[5]HH)(CN[6]O)	112.4280	0.000	1	111.6715	1.145	2	111.4229	0.646	19	111.4566	0.822	34	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:4:3:	4:3:	N[6]-3:O-2:O-1:	C[6]-4:C[6]-4:C-3:	C-4:C-3:	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)	O(CC[6a]HH)(CN[6]O)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO){1|C<4>,4|H<1>}	O(CC[6a]HH)(CN[6]O)	112.0050	0.055	2	111.9297	0.019	3	111.4229	0.646	19	111.4566	0.822	34	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:4:3:	4:3:	N[6]-3:O-2:O-1:	C[6]-4:C[6]-4:C-3:	C-4:C-3:	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)	O(CC[6a]HH)(CN[6]O)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO){1|Mo<8>,1|C<4>,2|H<1>}	O(CC[6a]HH)(CN[6]O)	111.7790	0.000	1	111.9297	0.019	3	111.4229	0.646	19	111.4566	0.822	34	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:4:3:	4:3:	N[6]-3:O-2:O-1:	C[6]-4:C[6]-4:C-3:	C-4:C-3:	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]CH)2(COO)	O(CC[6a]HH)(CN[6]O)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]CH)2(COO){1|N<3>,4|H<1>}	O(CC[6a]HH)(CN[6]O)	110.9420	0.000	1	110.9420	0.000	1	111.4229	0.646	19	111.4566	0.822	34	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:4:3:	4:3:	N[6]-3:O-2:O-1:	C[6]-4:C[6]-4:C-3:	C-4:C-3:	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]HH)2(COO)	O(CC[5]HH)(CN[6]O)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]HH)2(COO){1|C<4>,1|N<4>,3|H<1>}	O(CC[5]HH)(CN[6]O)	110.8240	0.000	1	110.8240	0.000	1	111.4229	0.646	19	111.4566	0.822	34	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:4:3:	4:3:	N[6]-3:O-2:O-1:	C[6]-4:C[6]-4:C-3:	C-4:C-3:	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]HH)2(COO)	O(CC[6a]HH)(CN[6]O)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]HH)2(COO){1|C<4>,4|H<1>}	O(CC[6a]HH)(CN[6]O)	111.7277	0.183	3	111.7277	0.033	3	111.4229	0.646	19	111.4566	0.822	34	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:4:3:	4:3:	N[6]-3:O-2:O-1:	C[6]-4:C[6]-4:C-3:	C-4:C-3:	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(COO)	O(CC[6a]HH)(CN[6]O)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(COO){1|C<4>,2|C<3>,4|H<1>}	O(CC[6a]HH)(CN[6]O)	112.6775	1.141	2	112.2460	1.209	3	111.4229	0.646	19	111.4566	0.822	34	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:4:3:	4:3:	N[6]-3:O-2:O-1:	C[6]-4:C[6]-4:C-3:	C-4:C-3:	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(COO)	O(CC[6a]HH)(CN[6]O)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(COO){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	O(CC[6a]HH)(CN[6]O)	111.3830	0.000	1	112.2460	1.209	3	111.4229	0.646	19	111.4566	0.822	34	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:4:3:	4:3:	N[6]-3:O-2:O-1:	C[6]-4:C[6]-4:C-3:	C-4:C-3:	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6a]C[6]H)2(COO)	O(CC[6a]HH)(CN[6]O)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6a]C[6]H)2(COO){4|H<1>,5|C<3>}	O(CC[6a]HH)(CN[6]O)	111.1080	0.000	1	111.1080	0.000	1	111.4229	0.646	19	111.4566	0.822	34	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:4:3:	4:3:	N[6]-3:O-2:O-1:	C[6]-4:C[6]-4:C-3:	C[5]-4:C-3:	C(N[6]C[6]2)(OC[5])(O)	N[6](C[6]C[6]HH)2(COO)	O(C[5]C[5,6a]N[5]H)(CN[6]O)	C(N[6]C[6]2)(OC[5])(O)	N[6](C[6]C[6]HH)2(COO){1|N<3>,4|H<1>}	O(C[5]C[5,6a]N[5]H)(CN[6]O)	110.6177	0.064	3	110.6177	0.004	3	110.8740	0.266	4	111.4566	0.822	34	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:4:3:	4:3:	N[6]-3:O-2:O-1:	C[6]-4:C[6]-4:C-3:	C[5]-4:C-3:	C(N[6]C[6]2)(OC[5])(O)	N[6](C[6]C[6]HH)2(COO)	O(C[5]C[5]2H)(CN[6]O)	C(N[6]C[6]2)(OC[5])(O)	N[6](C[6]C[6]HH)2(COO){1|N<3>,4|H<1>}	O(C[5]C[5]2H)(CN[6]O)	111.6430	0.000	1	111.6430	0.000	1	110.8740	0.266	4	111.4566	0.822	34	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:4:3:	4:3:	N[6]-3:O-2:O-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C-3:	C(N[6]C[6]2)(OC[6])(O)	N[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(COO)	O(C[6]C[6]2H)(CN[6]O)	C(N[6]C[6]2)(OC[6])(O)	N[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(COO){2|C<3>,2|H<1>}	O(C[6]C[6]2H)(CN[6]O)	111.8530	0.246	2	111.8530	0.061	2	111.5668	0.330	5	111.4566	0.822	34	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:4:3:	4:3:	N[6]-3:O-2:O-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C-3:	C(N[6]C[6]2)(OC[6])(O)	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(COO)	O(C[6]C[6]2H)(CN[6]O)	C(N[6]C[6]2)(OC[6])(O)	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(COO){2|C<3>,2|H<1>}	O(C[6]C[6]2H)(CN[6]O)	110.5660	0.000	1	110.5660	0.000	1	111.5668	0.330	5	111.4566	0.822	34	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:4:3:	4:3:	N[6]-3:O-2:O-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C-3:	C(N[6]C[6]2)(OC[6])(O)	N[6](C[6]C[6]CH)2(COO)	O(C[6]C[6]2H)(CN[6]O)	C(N[6]C[6]2)(OC[6])(O)	N[6](C[6]C[6]CH)2(COO){1|C<3>,3|H<1>}	O(C[6]C[6]2H)(CN[6]O)	111.7400	0.000	1	111.7400	0.000	1	111.5668	0.330	5	111.4566	0.822	34	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:1:	4:4:3:	4:3:	N[6]-3:O-2:O-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C-3:	C(N[6]C[6]2)(OC[6])(O)	N[6](C[6]C[6]HH)2(COO)	O(C[6]C[6]2H)(CN[6]O)	C(N[6]C[6]2)(OC[6])(O)	N[6](C[6]C[6]HH)2(COO){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(CN[6]O)	111.8220	0.000	1	111.8220	0.000	1	111.5668	0.330	5	111.4566	0.822	34	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:2:2:	4:4:3:	3:4:	N[6]-3:C-2:O-2:	C[6]-4:C[6]-4:C-3:	C-3:C-4:	C(N[6]C[6]2)(CC)(OC)	N[6](C[6]C[6]HH)2(CCO)	O(CN[6]C)(CCHH)	C(N[6]C[6]2)(CC)(OC)	N[6](C[6]C[6]HH)2(CCO){1|C<4>,4|H<1>}	O(CN[6]C)(CCHH)	116.5660	0.000	1	116.5660	0.000	1	116.5660	0.000	1	116.5660	0.000	1	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:3:2:	4:4:3:	3:3:	N[6]-3:N-3:O-2:	C[6]-4:C[6]-4:C-3:	C-3:C-3:	C(N[6]C[6]2)(NPtH)(OC)	N[6](C[6]C[6]HH)2(CNO)	O(CN[6]N)2	C(N[6]C[6]2)(NPtH)(OC)	N[6](C[6]C[6]HH)2(CNO){1|C<4>,4|H<1>}	O(CN[6]N)2	112.1430	0.016	2	112.1430	0.000	2	112.1430	0.000	2	111.6867	0.625	3	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP2	C	N[6]	O	3:3:2:	4:4:3:	3:3:	N[6]-3:N-3:O-2:	C[6]-4:C[6]-4:C-3:	C-3:N-3:	C(N[6]C[6]2)(NZnH)(ON)	N[6](C[6]C[6]HH)2(CNO)	O(CN[6]N)(NZnC)	C(N[6]C[6]2)(NZnH)(ON)	N[6](C[6]C[6]HH)2(CNO){1|O<2>,4|H<1>}	O(CN[6]N)(NZnC)	110.7740	0.000	1	110.7740	0.000	1	110.7740	0.000	1	111.6867	0.625	3	111.0199	1.308	270	110.9896	1.338	285
930	856	893	0:SP2_SP2_SP3	C	N[6,6]	O	3:2:1:	4:2:3:	3:4:	N[6,6]-3:O-2:O-1:	C[3x6]-4:O[6,6]-2:C-3:	C-3:C-4:	C(N[6,6]C[3x6]O[6,6])(OC)(O)	N[6,6](C[3x6]C[5,6,6]C[6,6]H)(O[6,6]C[5,3x6])(COO)	O(CN[6,6]O)(CC3)	C(N[6,6]C[3x6]O[6,6])(OC)(O)	N[6,6](C[3x6]C[5,6,6]C[6,6]H)(O[6,6]C[5,3x6])(COO){2|C<3>,2|C<4>,2|H<1>}	O(CN[6,6]O)(CC3)	108.0230	0.383	2	108.0230	0.147	2	108.0230	0.147	2	108.0230	0.147	2	110.6627	2.673	9	110.8457	1.618	46
930	856	893	0:SP2_SP2_SP3	C	N[6,6]	O	3:2:1:	4:2:3:	4:3:	N[6,6]-3:O-2:O-1:	C[3x6]-4:O[6,6]-2:C-3:	C-4:C-3:	C(N[6,6]C[3x6]O[6,6])(OC)(O)	N[6,6](C[3x6]C[3,6,6]C[6,6]C)(O[6,6]C[3x6])(COO)	O(CC[6a]HH)(CN[6,6]O)	C(N[6,6]C[3x6]O[6,6])(OC)(O)	N[6,6](C[3x6]C[3,6,6]C[6,6]C)(O[6,6]C[3x6])(COO){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	O(CC[6a]HH)(CN[6,6]O)	111.2800	0.000	1	111.2800	0.000	1	111.6410	0.956	3	111.6410	0.956	3	110.6627	2.673	9	110.8457	1.618	46
930	856	893	0:SP2_SP2_SP3	C	N[6,6]	O	3:2:1:	4:2:3:	4:3:	N[6,6]-3:O-2:O-1:	C[3x6]-4:O[6,6]-2:C-3:	C-4:C-3:	C(N[6,6]C[3x6]O[6,6])(OC)(O)	N[6,6](C[3x6]C[6,6,6a]2C)(O[6,6]C[3x6])(COO)	O(CC[6a]HH)(CN[6,6]O)	C(N[6,6]C[3x6]O[6,6])(OC)(O)	N[6,6](C[3x6]C[6,6,6a]2C)(O[6,6]C[3x6])(COO){1|C<4>,4|C<3>}	O(CC[6a]HH)(CN[6,6]O)	110.8950	0.000	1	110.8950	0.000	1	111.6410	0.956	3	111.6410	0.956	3	110.6627	2.673	9	110.8457	1.618	46
930	856	893	0:SP2_SP2_SP3	C	N[6,6]	O	3:2:1:	4:2:3:	4:3:	N[6,6]-3:O-2:O-1:	C[3x6]-4:O[6,6]-2:C-3:	C-4:C-3:	C(N[6,6]C[3x6]O[6,6])(OC)(O)	N[6,6](C[3x6]C[6,6]2H)(O[6,6]C[3x6])(COO)	O(CC[6a]HH)(CN[6,6]O)	C(N[6,6]C[3x6]O[6,6])(OC)(O)	N[6,6](C[3x6]C[6,6]2H)(O[6,6]C[3x6])(COO){1|C<3>,1|C<4>,4|H<1>}	O(CC[6a]HH)(CN[6,6]O)	112.7480	0.000	1	112.7480	0.000	1	111.6410	0.956	3	111.6410	0.956	3	110.6627	2.673	9	110.8457	1.618	46
930	856	893	0:SP2_SP2_SP3	C	N[6,6]	O	3:2:1:	4:4:3:	3:4:	N[6,6]-3:O-2:O-1:	C[6,6]-4:C[6,6]-4:C-3:	C-3:C-4:	C(N[6,6]C[6,6]2)(OC)(O)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]2H)(COO)	O(CN[6,6]O)(CH3)	C(N[6,6]C[6,6]2)(OC)(O)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]2H)(COO){1|O<2>,1|S<2>,2|C<3>,5|H<1>}	O(CN[6,6]O)(CH3)	111.5450	0.000	1	111.5450	0.000	1	111.5560	0.007	3	111.5560	0.007	3	110.6627	2.673	9	110.8457	1.618	46
930	856	893	0:SP2_SP2_SP3	C	N[6,6]	O	3:2:1:	4:4:3:	3:4:	N[6,6]-3:O-2:O-1:	C[6,6]-4:C[6,6]-4:C-3:	C-3:C-4:	C(N[6,6]C[6,6]2)(OC)(O)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]N[6]H)(COO)	O(CN[6,6]O)(CH3)	C(N[6,6]C[6,6]2)(OC)(O)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]N[6]H)(COO){2|H<1>,5|C<3>}	O(CN[6,6]O)(CH3)	111.5615	0.117	2	111.5615	0.014	2	111.5560	0.007	3	111.5560	0.007	3	110.6627	2.673	9	110.8457	1.618	46
930	856	893	0:SP2_SP2_SP3	C	N[6,6]	O	3:2:1:	4:4:3:	4:3:	N[6,6]-3:O-2:O-1:	C[6,6]-4:C[6,6]-4:C-3:	C-4:C-3:	C(N[6,6]C[6,6]2)(OC)(O)	N[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(COO)	O(CC[6a]HH)(CN[6,6]O)	C(N[6,6]C[6,6]2)(OC)(O)	N[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(COO){1|Mo<7>,1|C<3>,1|C<4>,1|O<1>,5|H<1>}	O(CC[6a]HH)(CN[6,6]O)	110.3270	0.000	1	110.3270	0.000	1	110.3270	0.000	1	110.3270	0.000	1	110.6627	2.673	9	110.8457	1.618	46
930	856	893	0:SP2_SP2_SP3	C	N[6]	O	3:2:1:	3:3:3:	3:3:	N[6]-3:O-2:O-1:	C[6]-3:N[6]-3:C-3:	C[6a]-3:C-3:	C(N[6]C[6]N[6])(OC[6a])(O)	N[6](C[6]C[6a]N[6])(N[6]C[6]C)(COO)	O(C[6a]C[6a]2)(CN[6]O)	C(N[6]C[6]N[6])(OC[6a])(O)	N[6](C[6]C[6a]N[6])(N[6]C[6]C)(COO){1|N<2>,3|C<3>}	O(C[6a]C[6a]2)(CN[6]O)	108.6175	0.013	2	108.6175	0.000	2	108.6175	0.000	2	108.6175	0.000	2	110.8902	1.418	37	110.8457	1.618	46
930	856	893	0:SP2_SP2_SP3	C	N[6]	O	3:2:1:	3:4:3:	3:4:	N[6]-3:O-2:O-1:	C[6,6]-3:C[6]-4:C-3:	C-3:C-4:	C(N[6]C[6,6]C[6])(OC)(O)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(COO)	O(CN[6]O)(CH3)	C(N[6]C[6,6]C[6])(OC)(O)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(COO){2|C<3>,2|C<4>,2|H<1>}	O(CN[6]O)(CH3)	110.7710	0.000	1	110.7710	0.000	1	110.7710	0.000	1	111.3918	0.176	4	110.8902	1.418	37	110.8457	1.618	46
930	856	893	0:SP2_SP2_SP3	C	N[6]	O	3:2:1:	3:4:3:	3:4:	N[6]-3:O-2:O-1:	C[6,6a]-3:C[6]-4:C-3:	C-3:C-4:	C(N[6]C[6,6a]C[6])(OC)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(COO)	O(CN[6]O)(CH3)	C(N[6]C[6,6a]C[6])(OC)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(COO){1|H<1>,4|C<3>}	O(CN[6]O)(CH3)	111.6370	0.000	1	111.6370	0.000	1	111.5987	0.008	3	111.3918	0.176	4	110.8902	1.418	37	110.8457	1.618	46
930	856	893	0:SP2_SP2_SP3	C	N[6]	O	3:2:1:	3:4:3:	3:4:	N[6]-3:O-2:O-1:	C[6,6a]-3:C[6]-4:C-3:	C-3:C-4:	C(N[6]C[6,6a]C[6])(OC)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(COO)	O(CN[6]O)(CC3)	C(N[6]C[6,6a]C[6])(OC)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(COO){1|Br<1>,1|O<2>,2|C<3>,2|H<1>}	O(CN[6]O)(CC3)	111.5795	0.115	2	111.5795	0.013	2	111.5987	0.008	3	111.3918	0.176	4	110.8902	1.418	37	110.8457	1.618	46
930	856	893	0:SP2_SP2_SP3	C	N[6]	O	3:2:1:	4:2:3:	3:4:	N[6]-3:O-2:O-1:	C[6]-4:O[6]-2:C-3:	C-3:C-4:	C(N[6]C[6]O[6])(OC)(O)	N[6](C[6]C[3,6]HH)(O[6]C[6,6])(COO)	O(CN[6]O)(CC3)	C(N[6]C[6]O[6])(OC)(O)	N[6](C[6]C[3,6]HH)(O[6]C[6,6])(COO){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O(CN[6]O)(CC3)	108.0570	0.000	1	108.0570	0.000	1	110.3650	4.666	3	110.3650	4.666	3	110.8902	1.418	37	110.8457	1.618	46
930	856	893	0:SP2_SP2_SP3	C	N[6]	O	3:2:1:	4:2:3:	3:4:	N[6]-3:O-2:O-1:	C[6]-4:O[6]-2:C-3:	C-3:C-4:	C(N[6]C[6]O[6])(OC)(O)	N[6](C[6]C[4,6]HH)(O[6]C[6])(COO)	O(CN[6]O)(CCHH)	C(N[6]C[6]O[6])(OC)(O)	N[6](C[6]C[4,6]HH)(O[6]C[6])(COO){2|C<4>,3|H<1>}	O(CN[6]O)(CCHH)	112.3380	0.000	1	112.3380	0.000	1	110.3650	4.666	3	110.3650	4.666	3	110.8902	1.418	37	110.8457	1.618	46
930	856	893	0:SP2_SP2_SP3	C	N[6]	O	3:2:1:	4:2:3:	3:4:	N[6]-3:O-2:O-1:	C[6]-4:O[6]-2:C-3:	C-3:C-4:	C(N[6]C[6]O[6])(OC)(O)	N[6](C[6]C[6]O[6]H)(O[6]C[6])(COO)	O(CN[6]O)(CC3)	C(N[6]C[6]O[6])(OC)(O)	N[6](C[6]C[6]O[6]H)(O[6]C[6])(COO){2|H<1>,4|C<4>}	O(CN[6]O)(CC3)	110.7000	0.000	1	110.7000	0.000	1	110.3650	4.666	3	110.3650	4.666	3	110.8902	1.418	37	110.8457	1.618	46
930	856	893	0:SP2_SP2_SP3	C	N[6]	O	3:2:1:	4:2:3:	4:3:	N[6]-3:O-2:O-1:	C[6]-4:O[6]-2:C-3:	C-4:C-3:	C(N[6]C[6]O[6])(OC)(O)	N[6](C[6]C[6,6]HH)(O[6]C[6])(COO)	O(CC[6a]HH)(CN[6]O)	C(N[6]C[6]O[6])(OC)(O)	N[6](C[6]C[6,6]HH)(O[6]C[6])(COO){1|O<2>,2|C<4>,2|H<1>}	O(CC[6a]HH)(CN[6]O)	108.5600	0.000	1	108.5600	0.000	1	110.0855	2.008	4	110.0855	2.008	4	110.8902	1.418	37	110.8457	1.618	46
930	856	893	0:SP2_SP2_SP3	C	N[6]	O	3:2:1:	4:2:3:	4:3:	N[6]-3:O-2:O-1:	C[6]-4:O[6]-2:C-3:	C-4:C-3:	C(N[6]C[6]O[6])(OC)(O)	N[6](C[6]C[6]CH)(O[6]C[6])(COO)	O(CC[6a]HH)(CN[6]O)	C(N[6]C[6]O[6])(OC)(O)	N[6](C[6]C[6]CH)(O[6]C[6])(COO){1|C<3>,1|N<3>,2|H<1>}	O(CC[6a]HH)(CN[6]O)	111.7870	0.000	1	111.7870	0.000	1	110.0855	2.008	4	110.0855	2.008	4	110.8902	1.418	37	110.8457	1.618	46
930	856	893	0:SP2_SP2_SP3	C	N[6]	O	3:2:1:	4:2:3:	4:3:	N[6]-3:O-2:O-1:	C[6]-4:O[6]-2:C-3:	C-4:C-3:	C(N[6]C[6]O[6])(OC)(O)	N[6](C[6]C[6]HH)(O[6]C[6,6])(COO)	O(CC[6a]HH)(CN[6]O)	C(N[6]C[6]O[6])(OC)(O)	N[6](C[6]C[6]HH)(O[6]C[6,6])(COO){1|O<2>,2|C<4>,2|H<1>}	O(CC[6a]HH)(CN[6]O)	110.6250	0.000	1	110.6250	0.000	1	110.0855	2.008	4	110.0855	2.008	4	110.8902	1.418	37	110.8457	1.618	46
930	856	893	0:SP2_SP2_SP3	C	N[6]	O	3:2:1:	4:2:3:	4:3:	N[6]-3:O-2:O-1:	C[6]-4:O[6]-2:C-3:	C-4:C-3:	C(N[6]C[6]O[6])(OC)(O)	N[6](C[6]C[6a]C[6]H)(O[6]C[6])(COO)	O(CC[6a]HH)(CN[6]O)	C(N[6]C[6]O[6])(OC)(O)	N[6](C[6]C[6a]C[6]H)(O[6]C[6])(COO){1|C<4>,3|C<3>,3|H<1>}	O(CC[6a]HH)(CN[6]O)	109.3700	0.000	1	109.3700	0.000	1	110.0855	2.008	4	110.0855	2.008	4	110.8902	1.418	37	110.8457	1.618	46
930	856	893	0:SP2_SP2_SP3	C	N[6]	O	3:2:1:	4:3:3:	3:4:	N[6]-3:O-2:O-1:	C[6]-4:C[6]-3:C-3:	C-3:C-4:	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(COO)	O(CN[6]O)(CC3)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(COO){1|C<3>,1|C<4>,3|H<1>}	O(CN[6]O)(CC3)	110.3450	0.000	1	110.3450	0.000	1	109.7495	0.709	2	110.2480	0.622	5	110.8902	1.418	37	110.8457	1.618	46
930	856	893	0:SP2_SP2_SP3	C	N[6]	O	3:2:1:	4:3:3:	3:4:	N[6]-3:O-2:O-1:	C[6]-4:C[6]-3:C-3:	C-3:C-4:	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]HH)(C[6]N[6]N)(COO)	O(CN[6]O)(CCHH)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]HH)(C[6]N[6]N)(COO){2|C<4>,2|H<1>}	O(CN[6]O)(CCHH)	109.1540	0.000	1	109.1540	0.000	1	109.7495	0.709	2	110.2480	0.622	5	110.8902	1.418	37	110.8457	1.618	46
930	856	893	0:SP2_SP2_SP3	C	N[6]	O	3:2:1:	4:3:3:	3:4:	N[6]-3:O-2:O-1:	C[6]-4:N[6]-3:C-3:	C-3:C-4:	C(N[6]C[6]N[6])(OC)(O)	N[6](C[6]C[6a]C[6]H)(N[6]C[6a]C[6])(COO)	O(CN[6]O)(CC3)	C(N[6]C[6]N[6])(OC)(O)	N[6](C[6]C[6a]C[6]H)(N[6]C[6a]C[6])(COO){1|C<4>,1|N<2>,3|C<3>,4|H<1>}	O(CN[6]O)(CC3)	111.2730	0.000	1	110.5803	0.476	3	110.5803	0.476	3	110.2480	0.622	5	110.8902	1.418	37	110.8457	1.618	46
930	856	893	0:SP2_SP2_SP3	C	N[6]	O	3:2:1:	4:3:3:	3:4:	N[6]-3:O-2:O-1:	C[6]-4:N[6]-3:C-3:	C-3:C-4:	C(N[6]C[6]N[6])(OC)(O)	N[6](C[6]C[6a]C[6]H)(N[6]C[6a]C[6])(COO)	O(CN[6]O)(CC3)	C(N[6]C[6]N[6])(OC)(O)	N[6](C[6]C[6a]C[6]H)(N[6]C[6a]C[6])(COO){1|C<4>,4|C<3>,4|H<1>}	O(CN[6]O)(CC3)	110.2340	0.482	2	110.5803	0.476	3	110.5803	0.476	3	110.2480	0.622	5	110.8902	1.418	37	110.8457	1.618	46
930	856	893	0:SP2_SP2_SP3	C	N[6]	O	3:2:1:	4:4:3:	3:4:	N[6]-3:O-2:O-1:	C[5,5,6]-4:C[6]-4:C-3:	C-3:C-4:	C(N[6]C[5,5,6]C[6])(OC)(O)	N[6](C[5,5,6]C[5,5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(COO)	O(CN[6]O)(CH3)	C(N[6]C[5,5,6]C[6])(OC)(O)	N[6](C[5,5,6]C[5,5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(COO){1|H<1>,7|C<4>}	O(CN[6]O)(CH3)	112.0490	0.000	1	112.0490	0.000	1	112.0490	0.000	1	111.4700	0.576	18	110.8902	1.418	37	110.8457	1.618	46
930	856	893	0:SP2_SP2_SP3	C	N[6]	O	3:2:1:	4:4:3:	3:4:	N[6]-3:O-2:O-1:	C[6,6]-4:C[6]-4:C-3:	C-3:C-4:	C(N[6]C[6,6]C[6])(OC)(O)	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(COO)	O(CN[6]O)(CC3)	C(N[6]C[6,6]C[6])(OC)(O)	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(COO){4|C<4>,4|H<1>}	O(CN[6]O)(CC3)	110.5290	0.000	1	110.5290	0.000	1	110.8230	0.173	2	111.4700	0.576	18	110.8902	1.418	37	110.8457	1.618	46
930	856	893	0:SP2_SP2_SP3	C	N[6]	O	3:2:1:	4:4:3:	3:4:	N[6]-3:O-2:O-1:	C[6,6]-4:C[6]-4:C-3:	C-3:C-4:	C(N[6]C[6,6]C[6])(OC)(O)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(COO)	O(CN[6]O)(CC3)	C(N[6]C[6,6]C[6])(OC)(O)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(COO){3|C<4>,5|H<1>}	O(CN[6]O)(CC3)	111.1170	0.000	1	111.1170	0.000	1	110.8230	0.173	2	111.4700	0.576	18	110.8902	1.418	37	110.8457	1.618	46
930	856	893	0:SP2_SP2_SP3	C	N[6]	O	3:2:1:	4:4:3:	3:4:	N[6]-3:O-2:O-1:	C[6]-4:C[6]-4:C-3:	C-3:C-4:	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[5,5,6,6]HH)(C[6]C[5,6]HH)(COO)	O(CN[6]O)(CH3)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[5,5,6,6]HH)(C[6]C[5,6]HH)(COO){1|C<3>,2|C<4>,2|O<2>}	O(CN[6]O)(CH3)	111.4830	0.000	1	111.4830	0.000	1	111.5177	0.601	15	111.4700	0.576	18	110.8902	1.418	37	110.8457	1.618	46
930	856	893	0:SP2_SP2_SP3	C	N[6]	O	3:2:1:	4:4:3:	3:4:	N[6]-3:O-2:O-1:	C[6]-4:C[6]-4:C-3:	C-3:C-4:	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(COO)	O(CN[6]O)(CC3)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(COO){1|C<3>,1|N<3>,2|H<1>}	O(CN[6]O)(CC3)	111.9180	0.132	2	111.9180	0.017	2	111.5177	0.601	15	111.4700	0.576	18	110.8902	1.418	37	110.8457	1.618	46
930	856	893	0:SP2_SP2_SP3	C	N[6]	O	3:2:1:	4:4:3:	3:4:	N[6]-3:O-2:O-1:	C[6]-4:C[6]-4:C-3:	C-3:C-4:	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(COO)	O(CN[6]O)(CC3)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(COO){2|C<3>,2|H<1>}	O(CN[6]O)(CC3)	110.4810	0.000	1	110.4810	0.000	1	111.5177	0.601	15	111.4700	0.576	18	110.8902	1.418	37	110.8457	1.618	46
930	856	893	0:SP2_SP2_SP3	C	N[6]	O	3:2:1:	4:4:3:	3:4:	N[6]-3:O-2:O-1:	C[6]-4:C[6]-4:C-3:	C-3:C-4:	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(COO)	O(CN[6]O)(CC3)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(COO){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(CN[6]O)(CC3)	111.2310	0.000	1	111.2310	0.000	1	111.5177	0.601	15	111.4700	0.576	18	110.8902	1.418	37	110.8457	1.618	46
930	856	893	0:SP2_SP2_SP3	C	N[6]	O	3:2:1:	4:4:3:	3:4:	N[6]-3:O-2:O-1:	C[6]-4:C[6]-4:C-3:	C-3:C-4:	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(COO)	O(CN[6]O)(CCHH)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(COO){2|C<4>,3|H<1>}	O(CN[6]O)(CCHH)	112.4320	0.000	1	112.4320	0.000	1	111.5177	0.601	15	111.4700	0.576	18	110.8902	1.418	37	110.8457	1.618	46
930	856	893	0:SP2_SP2_SP3	C	N[6]	O	3:2:1:	4:4:3:	3:4:	N[6]-3:O-2:O-1:	C[6]-4:C[6]-4:C-3:	C-3:C-4:	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]CC)(C[6]C[6]HH)(COO)	O(CN[6]O)(CC3)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]CC)(C[6]C[6]HH)(COO){1|C<4>,4|H<1>}	O(CN[6]O)(CC3)	110.6740	1.295	2	110.6740	1.678	2	111.5177	0.601	15	111.4700	0.576	18	110.8902	1.418	37	110.8457	1.618	46
930	856	893	0:SP2_SP2_SP3	C	N[6]	O	3:2:1:	4:4:3:	3:4:	N[6]-3:O-2:O-1:	C[6]-4:C[6]-4:C-3:	C-3:C-4:	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]HH)2(COO)	O(CN[6]O)(CC3)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]HH)2(COO){1|C<3>,1|C<4>,3|H<1>}	O(CN[6]O)(CC3)	112.0890	0.974	2	111.6207	1.133	3	111.5177	0.601	15	111.4700	0.576	18	110.8902	1.418	37	110.8457	1.618	46
930	856	893	0:SP2_SP2_SP3	C	N[6]	O	3:2:1:	4:4:3:	3:4:	N[6]-3:O-2:O-1:	C[6]-4:C[6]-4:C-3:	C-3:C-4:	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]HH)2(COO)	O(CN[6]O)(CC3)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]HH)2(COO){1|N<3>,4|H<1>}	O(CN[6]O)(CC3)	110.6840	0.000	1	111.6207	1.133	3	111.5177	0.601	15	111.4700	0.576	18	110.8902	1.418	37	110.8457	1.618	46
930	856	893	0:SP2_SP2_SP3	C	N[6]	O	3:2:1:	4:4:3:	3:4:	N[6]-3:O-2:O-1:	C[6]-4:C[6]-4:C-3:	C-3:C-4:	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]HH)2(COO)	O(CN[6]O)(CCHH)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6]HH)2(COO){1|C<4>,4|H<1>}	O(CN[6]O)(CCHH)	111.7590	0.399	2	111.7590	0.159	2	111.5177	0.601	15	111.4700	0.576	18	110.8902	1.418	37	110.8457	1.618	46
930	856	893	0:SP2_SP2_SP3	C	N[6]	O	3:2:1:	4:4:3:	3:4:	N[6]-3:O-2:O-1:	C[6]-4:C[6]-4:C-3:	C-3:C-4:	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(COO)	O(CN[6]O)(CC3)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(COO){1|C<4>,2|C<3>,4|H<1>}	O(CN[6]O)(CC3)	112.1450	0.000	1	112.1450	0.000	1	111.5177	0.601	15	111.4700	0.576	18	110.8902	1.418	37	110.8457	1.618	46
930	856	893	0:SP2_SP2_SP3	C	N[6]	O	3:2:1:	4:4:3:	3:4:	N[6]-3:O-2:O-1:	C[6]-4:C[6]-4:C-3:	C-3:C-4:	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO)	O(CN[6]O)(CC3)	C(N[6]C[6]2)(OC)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO){1|C<4>,2|C<3>,4|H<1>}	O(CN[6]O)(CC3)	111.4290	0.000	1	111.4290	0.000	1	111.5177	0.601	15	111.4700	0.576	18	110.8902	1.418	37	110.8457	1.618	46
930	856	893	0:SP2_SP2_SP3	C	N[6]	O	3:2:1:	4:4:3:	4:3:	N[6]-3:O-2:O-1:	C[5,6]-4:C[6]-4:C-3:	C-4:C-3:	C(N[6]C[5,6]C[6])(OC)(O)	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(COO)	O(CC[6a]HH)(CN[6]O)	C(N[6]C[5,6]C[6])(OC)(O)	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(COO){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	O(CC[6a]HH)(CN[6]O)	110.9970	0.000	1	110.9970	0.000	1	110.9970	0.000	1	110.9970	0.000	1	110.8902	1.418	37	110.8457	1.618	46
930	856	909	0:SP2_SP2_SP2	C	N[6]	S	3:2:1:	3:4:3:	3:2:	N[6]-3:S-2:S-1:	C[6,6a]-3:C[6]-4:C-3:	C-3:S-2:	C(N[6]C[6,6a]C[6])(SS)(S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CSS)	S(CN[6]S)(SC)	C(N[6]C[6,6a]C[6])(SS)(S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CSS){1|C<4>,2|C<3>,3|H<1>}	S(CN[6]S)(SC)	113.4390	0.061	2	113.4390	0.004	2	113.4390	0.004	2	113.4390	0.004	2	113.9263	5.769	41	113.9263	5.769	41
930	856	909	0:SP2_SP2_SP2	C	N[6]	S	3:2:1:	4:4:3:	3:3:	N[6]-3:S-2:S-1:	C[6]-4:C[6]-4:C-3:	C-3:C-3:	C(N[6]C[6]2)(SC)(S)	N[6](C[6]C[6]HH)2(CSS)	S(CN[6]S)(CCH)	C(N[6]C[6]2)(SC)(S)	N[6](C[6]C[6]HH)2(CSS){1|C<4>,4|H<1>}	S(CN[6]S)(CCH)	113.2920	0.000	1	113.2920	0.000	1	113.2920	0.000	1	113.2920	0.000	1	113.9263	5.769	41	113.9263	5.769	41
930	856	909	0:SP2_SP2_SP2	C	N[6]	S	3:2:1:	4:4:3:	3:4:	N[6]-3:S-2:S-1:	C[6]-4:C[6]-4:C-3:	C-3:C-4:	C(N[6]C[6]2)(SC)(S)	N[6](C[6]C[6]HH)2(CSS)	S(CN[6]S)(CCCH)	C(N[6]C[6]2)(SC)(S)	N[6](C[6]C[6]HH)2(CSS){1|O<2>,4|H<1>}	S(CN[6]S)(CCCH)	113.3480	0.713	2	113.3480	0.508	2	113.6355	0.267	17	113.6355	0.267	17	113.9263	5.769	41	113.9263	5.769	41
930	856	909	0:SP2_SP2_SP2	C	N[6]	S	3:2:1:	4:4:3:	3:4:	N[6]-3:S-2:S-1:	C[6]-4:C[6]-4:C-3:	C-3:C-4:	C(N[6]C[6]2)(SC)(S)	N[6](C[6]C[6]HH)2(CSS)	S(CN[6]S)(CCHH)	C(N[6]C[6]2)(SC)(S)	N[6](C[6]C[6]HH)2(CSS){1|C<4>,4|H<1>}	S(CN[6]S)(CCHH)	113.8462	0.204	4	113.6739	0.292	13	113.6355	0.267	17	113.6355	0.267	17	113.9263	5.769	41	113.9263	5.769	41
930	856	909	0:SP2_SP2_SP2	C	N[6]	S	3:2:1:	4:4:3:	3:4:	N[6]-3:S-2:S-1:	C[6]-4:C[6]-4:C-3:	C-3:C-4:	C(N[6]C[6]2)(SC)(S)	N[6](C[6]C[6]HH)2(CSS)	S(CN[6]S)(CCHH)	C(N[6]C[6]2)(SC)(S)	N[6](C[6]C[6]HH)2(CSS){1|N<3>,4|H<1>}	S(CN[6]S)(CCHH)	113.7210	0.502	2	113.6739	0.292	13	113.6355	0.267	17	113.6355	0.267	17	113.9263	5.769	41	113.9263	5.769	41
930	856	909	0:SP2_SP2_SP2	C	N[6]	S	3:2:1:	4:4:3:	3:4:	N[6]-3:S-2:S-1:	C[6]-4:C[6]-4:C-3:	C-3:C-4:	C(N[6]C[6]2)(SC)(S)	N[6](C[6]C[6]HH)2(CSS)	S(CN[6]S)(CCHH)	C(N[6]C[6]2)(SC)(S)	N[6](C[6]C[6]HH)2(CSS){1|O<2>,4|H<1>}	S(CN[6]S)(CCHH)	113.5620	0.697	7	113.6739	0.292	13	113.6355	0.267	17	113.6355	0.267	17	113.9263	5.769	41	113.9263	5.769	41
930	856	909	0:SP2_SP2_SP2	C	N[6]	S	3:2:1:	4:4:3:	3:4:	N[6]-3:S-2:S-1:	C[6]-4:C[6]-4:C-3:	C-3:C-4:	C(N[6]C[6]2)(SC)(S)	N[6](C[6]C[6]HH)2(CSS)	S(CN[6]S)(CHHS)	C(N[6]C[6]2)(SC)(S)	N[6](C[6]C[6]HH)2(CSS){1|C<4>,4|H<1>}	S(CN[6]S)(CHHS)	113.6735	0.281	2	113.6735	0.079	2	113.6355	0.267	17	113.6355	0.267	17	113.9263	5.769	41	113.9263	5.769	41
930	856	909	0:SP2_SP2_SP2	C	N[6]	S	3:2:1:	4:4:3:	4:3:	N[6]-3:S-2:S-1:	C[6]-4:C[6]-4:C-3:	C-4:C-3:	C(N[6]C[6]2)(SC)(S)	N[6](C[6]C[6]HH)2(CSS)	S(CC[5]HH)(CN[6]S)	C(N[6]C[6]2)(SC)(S)	N[6](C[6]C[6]HH)2(CSS){1|N<3>,4|H<1>}	S(CC[5]HH)(CN[6]S)	113.7600	0.000	1	113.7600	0.000	1	112.7521	0.277	16	112.7521	0.277	16	113.9263	5.769	41	113.9263	5.769	41
930	856	909	0:SP2_SP2_SP2	C	N[6]	S	3:2:1:	4:4:3:	4:3:	N[6]-3:S-2:S-1:	C[6]-4:C[6]-4:C-3:	C-4:C-3:	C(N[6]C[6]2)(SC)(S)	N[6](C[6]C[6]HH)2(CSS)	S(CC[6a]HH)(CN[6]S)	C(N[6]C[6]2)(SC)(S)	N[6](C[6]C[6]HH)2(CSS){1|C<4>,4|H<1>}	S(CC[6a]HH)(CN[6]S)	112.9082	0.569	6	112.7634	0.221	10	112.7521	0.277	16	112.7521	0.277	16	113.9263	5.769	41	113.9263	5.769	41
930	856	909	0:SP2_SP2_SP2	C	N[6]	S	3:2:1:	4:4:3:	4:3:	N[6]-3:S-2:S-1:	C[6]-4:C[6]-4:C-3:	C-4:C-3:	C(N[6]C[6]2)(SC)(S)	N[6](C[6]C[6]HH)2(CSS)	S(CC[6a]HH)(CN[6]S)	C(N[6]C[6]2)(SC)(S)	N[6](C[6]C[6]HH)2(CSS){1|O<2>,4|H<1>}	S(CC[6a]HH)(CN[6]S)	112.5463	0.135	4	112.7634	0.221	10	112.7521	0.277	16	112.7521	0.277	16	113.9263	5.769	41	113.9263	5.769	41
930	856	909	0:SP2_SP2_SP2	C	N[6]	S	3:2:1:	4:4:3:	4:3:	N[6]-3:S-2:S-1:	C[6]-4:C[6]-4:C-3:	C-4:C-3:	C(N[6]C[6]2)(SC)(S)	N[6](C[6]C[6]HH)2(CSS)	S(CN[5]HH)(CN[6]S)	C(N[6]C[6]2)(SC)(S)	N[6](C[6]C[6]HH)2(CSS){1|N<3>,4|H<1>}	S(CN[5]HH)(CN[6]S)	112.8400	0.000	1	112.8400	0.000	1	112.7521	0.277	16	112.7521	0.277	16	113.9263	5.769	41	113.9263	5.769	41
930	856	909	0:SP2_SP2_SP2	C	N[6]	S	3:2:1:	4:4:3:	4:3:	N[6]-3:S-2:S-1:	C[6]-4:C[6]-4:C-3:	C-4:C-3:	C(N[6]C[6]2)(SC)(S)	N[6](C[6]C[6]HH)2(CSS)	S(CN[5a]CH)(CN[6]S)	C(N[6]C[6]2)(SC)(S)	N[6](C[6]C[6]HH)2(CSS){1|C<4>,4|H<1>}	S(CN[5a]CH)(CN[6]S)	112.2230	0.000	1	112.2280	0.096	3	112.7521	0.277	16	112.7521	0.277	16	113.9263	5.769	41	113.9263	5.769	41
930	856	909	0:SP2_SP2_SP2	C	N[6]	S	3:2:1:	4:4:3:	4:3:	N[6]-3:S-2:S-1:	C[6]-4:C[6]-4:C-3:	C-4:C-3:	C(N[6]C[6]2)(SC)(S)	N[6](C[6]C[6]HH)2(CSS)	S(CN[5a]CH)(CN[6]S)	C(N[6]C[6]2)(SC)(S)	N[6](C[6]C[6]HH)2(CSS){1|O<2>,4|H<1>}	S(CN[5a]CH)(CN[6]S)	112.2305	0.438	2	112.2280	0.096	3	112.7521	0.277	16	112.7521	0.277	16	113.9263	5.769	41	113.9263	5.769	41
930	856	909	0:SP2_SP2_SP2	C	N[6]	S	3:2:1:	4:4:3:	4:3:	N[6]-3:S-2:S-1:	C[6]-4:C[6]-4:C-3:	C-4:C-3:	C(N[6]C[6]2)(SC)(S)	N[6](C[6]C[6]HH)2(CSS)	S(CN[6a]HH)(CN[6]S)	C(N[6]C[6]2)(SC)(S)	N[6](C[6]C[6]HH)2(CSS){1|C<4>,4|H<1>}	S(CN[6a]HH)(CN[6]S)	113.1150	0.000	1	113.1150	0.000	1	112.7521	0.277	16	112.7521	0.277	16	113.9263	5.769	41	113.9263	5.769	41
930	856	909	0:SP2_SP2_SP2	C	N[6]	S	3:2:2:	4:4:3:	3:4:	N[6]-3:N-2:S-2:	C[6]-4:C[6]-4:C-3:	C-3:C-4:	C(N[6]C[6]2)(NC)(SC)	N[6](C[6]C[6]HH)2(CNS)	S(CN[6]N)(CH3)	C(N[6]C[6]2)(NC)(SC)	N[6](C[6]C[6]HH)2(CNS){1|N<3>,4|H<1>}	S(CN[6]N)(CH3)	115.6990	0.000	1	115.6990	0.000	1	115.6990	0.000	1	115.6990	0.000	1	113.9263	5.769	41	113.9263	5.769	41
930	856	909	0:SP2_SP2_SP2	C	N[6]	S	3:2:3:	4:4:3:	3:3:	N[6]-3:S-2:C-3:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C-3:	C(N[6]C[6]2)(SC[6a])(CCN)	N[6](C[6]C[6]HH)2(CCS)	S(C[6a]C[6a]2)(CN[6]C)	C(N[6]C[6]2)(SC[6a])(CCN)	N[6](C[6]C[6]HH)2(CCS){1|N<3>,4|H<1>}	S(C[6a]C[6a]2)(CN[6]C)	121.1560	0.000	1	121.1560	0.000	1	121.1560	0.000	1	121.1560	0.000	1	113.9263	5.769	41	113.9263	5.769	41
930	856	909	0:SP2_SP2_SP2	C	N[6]	S	3:3:2:	4:4:3:	3:4:	N[6]-3:C-3:S-2:	C[6]-4:C[6]-4:C-3:	C-3:C-4:	C(N[6]C[6]2)(CCN)(SC)	N[6](C[6]C[6]HH)2(CCS)	S(CN[6]C)(CCHH)	C(N[6]C[6]2)(CCN)(SC)	N[6](C[6]C[6]HH)2(CCS){1|N<3>,4|H<1>}	S(CN[6]C)(CCHH)	118.4285	6.944	2	119.3717	26.782	3	119.3717	26.782	3	119.3717	26.782	3	113.9263	5.769	41	113.9263	5.769	41
930	856	909	0:SP2_SP2_SP2	C	N[6]	S	3:3:2:	4:4:3:	3:4:	N[6]-3:C-3:S-2:	C[6]-4:C[6]-4:C-3:	C-3:C-4:	C(N[6]C[6]2)(CCN)(SC)	N[6](C[6]C[6]HH)2(CCS)	S(CN[6]C)(CCHH)	C(N[6]C[6]2)(CCN)(SC)	N[6](C[6]C[6]HH)2(CCS){1|S<2>,4|H<1>}	S(CN[6]C)(CCHH)	121.2580	0.000	1	119.3717	26.782	3	119.3717	26.782	3	119.3717	26.782	3	113.9263	5.769	41	113.9263	5.769	41
930	856	924	0:SP2_SP-NON_SP2	C	N[6]	Br	3:3:1:	4:4:3:	3:	N[6]-3:C-3:Br-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(N[6]C[6]2)(CC[6a]O)(Br)	N[6](C[6]C[6]HH)2(CBrC)	Br(CN[6]C)	C(N[6]C[6]2)(CC[6a]O)(Br)	N[6](C[6]C[6]HH)2(CBrC){1|C<4>,4|H<1>}	Br(CN[6]C)	128.7180	0.000	1	128.8170	0.020	2	128.8170	0.020	2	128.8170	0.020	2	128.8170	0.020	2	128.8170	0.020	2
930	856	924	0:SP2_SP-NON_SP2	C	N[6]	Br	3:3:1:	4:4:3:	3:	N[6]-3:C-3:Br-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(N[6]C[6]2)(CC[6a]O)(Br)	N[6](C[6]C[6]HH)2(CBrC)	Br(CN[6]C)	C(N[6]C[6]2)(CC[6a]O)(Br)	N[6](C[6]C[6]HH)2(CBrC){1|O<2>,4|H<1>}	Br(CN[6]C)	128.9160	0.000	1	128.8170	0.020	2	128.8170	0.020	2	128.8170	0.020	2	128.8170	0.020	2	128.8170	0.020	2
930	856	930	0:SP2_SP2_SP2	C	N[6,6]	C	3:3:3:	4:4:3:	3:2:1:	N[6,6]-3:C-3:C-3:	C[6,6]-4:C[6,6]-4:C-3:	C-3:O-2:O-1:	C(N[6,6]C[6,6]2)(CCH)(COO)	N[6,6](C[6,6]C[5,5,6,6]C[6]H)2(CCC)	C(CN[6,6]C)(OC)(O)	C(N[6,6]C[6,6]2)(CCH)(COO)	N[6,6](C[6,6]C[5,5,6,6]C[6]H)2(CCC){2|H<1>,2|O<2>,3|C<3>,3|C<4>}	C(CN[6,6]C)(OC)(O)	114.0870	0.000	1	114.0870	0.000	1	114.0870	0.000	1	114.0870	0.000	1	120.0295	70.627	2	119.9751	17.714	195
930	856	930	0:SP2_SP2_SP2	C	N[6,6]	C	3:3:3:	4:4:3:	3:3:1:	N[6,6]-3:C-3:C-3:	C[6,6]-4:C[6,6]-4:C-3:	C-3:C-3:H-1:	C(N[6,6]C[6,6]2)(CCH)(COO)	N[6,6](C[6,6]C[5,5,6,6]C[6]H)2(CCC)	C(CN[6,6]C)(COO)(H)	C(N[6,6]C[6,6]2)(CCH)(COO)	N[6,6](C[6,6]C[5,5,6,6]C[6]H)2(CCC){2|H<1>,2|O<2>,3|C<3>,3|C<4>}	C(CN[6,6]C)(COO)(H)	125.9720	0.000	1	125.9720	0.000	1	125.9720	0.000	1	125.9720	0.000	1	120.0295	70.627	2	119.9751	17.714	195
930	856	930	0:SP2_SP2_SP2	C	N[6]	C	3:2:3:	4:4:3:	3:3:3:	N[6]-3:S-2:C-3:	C[6]-4:C[6]-4:C-3:	C-3:C-3:N-3:	C(N[6]C[6]2)(SC[6a])(CCN)	N[6](C[6]C[6]HH)2(CCS)	C(CN[6]S)(CClC)(NOO)	C(N[6]C[6]2)(SC[6a])(CCN)	N[6](C[6]C[6]HH)2(CCS){1|N<3>,4|H<1>}	C(CN[6]S)(CClC)(NOO)	124.1650	0.000	1	124.1650	0.000	1	124.1650	0.000	1	124.1650	0.000	1	119.9745	17.530	193	119.9751	17.714	195
930	856	930	0:SP2_SP2_SP2	C	N[6]	C	3:3:1:	3:3:3:	3:3:1:	N[6]-3:C-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-3:	C-3:C-3:H-1:	C(N[6]C[6,6a]2)(CCH)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCH)	C(CN[6]H)(CHO)(H)	C(N[6]C[6,6a]2)(CCH)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCH){1|S<2>,2|H<1>,4|C<3>}	C(CN[6]H)(CHO)(H)	129.8000	0.000	1	129.8000	0.000	1	129.8000	0.000	1	127.2480	13.025	2	119.9745	17.530	193	119.9751	17.714	195
930	856	930	0:SP2_SP2_SP2	C	N[6]	C	3:3:1:	3:3:3:	3:3:1:	N[6]-3:C-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6a]-3:C-3:O-1:	C(N[6]C[6]2)(CC[6a]O)(H)	N[6](C[6]C[6]H)2(CCH)	C(C[6a]C[6a]2)(CN[6]H)(O)	C(N[6]C[6]2)(CC[6a]O)(H)	N[6](C[6]C[6]H)2(CCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CN[6]H)(O)	124.6960	0.000	1	124.6960	0.000	1	124.6960	0.000	1	127.2480	13.025	2	119.9745	17.530	193	119.9751	17.714	195
930	856	930	0:SP2_SP2_SP2	C	N[6]	C	3:3:1:	3:3:3:	3:3:3:	N[6]-3:C-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(N[6]C[6,6a]2)(CC[6a]2)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCH)	C(C[6a]C[6a]2)2(CN[6]H)	C(N[6]C[6,6a]2)(CC[6a]2)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCH){1|C<4>,2|H<1>,4|C<3>}	C(C[6a]C[6a]2)2(CN[6]H)	123.1620	0.000	1	123.1620	0.000	1	123.1620	0.000	1	123.1620	0.000	1	119.9745	17.530	193	119.9751	17.714	195
930	856	930	0:SP2_SP2_SP2	C	N[6]	C	3:3:1:	3:3:3:	3:4:1:	N[6]-3:C-3:H-1:	C[6]-3:N[6]-3:C-3:	C-3:C-4:H-1:	C(N[6]C[6]N[6])(CCH)(H)	N[6](C[6]C[6]O)(N[6]C[6]C)(CCH)	C(CN[6]H)(CCHH)(H)	C(N[6]C[6]N[6])(CCH)(H)	N[6](C[6]C[6]O)(N[6]C[6]C)(CCH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C(CN[6]H)(CCHH)(H)	125.2640	0.000	1	125.2640	0.000	1	125.2640	0.000	1	125.2640	0.000	1	119.9745	17.530	193	119.9751	17.714	195
930	856	930	0:SP2_SP2_SP2	C	N[6]	C	3:3:1:	3:4:3:	3:3:1:	N[6]-3:C-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C-3:C-3:H-1:	C(N[6]C[6,6a]C[6])(CCH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCH)	C(CN[6]H)(CHO)(H)	C(N[6]C[6,6a]C[6])(CCH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCH){1|C<4>,2|C<3>,3|H<1>}	C(CN[6]H)(CHO)(H)	127.0340	0.000	1	127.0340	0.000	1	127.5890	0.616	2	123.0987	27.764	4	119.9745	17.530	193	119.9751	17.714	195
930	856	930	0:SP2_SP2_SP2	C	N[6]	C	3:3:1:	3:4:3:	3:3:1:	N[6]-3:C-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C-3:C-3:H-1:	C(N[6]C[6,6a]C[6])(CCH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(CCH)	C(CN[6]H)(COO)(H)	C(N[6]C[6,6a]C[6])(CCH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(CCH){1|C<4>,1|H<1>,4|C<3>}	C(CN[6]H)(COO)(H)	128.1440	0.000	1	128.1440	0.000	1	127.5890	0.616	2	123.0987	27.764	4	119.9745	17.530	193	119.9751	17.714	195
930	856	930	0:SP2_SP2_SP2	C	N[6]	C	3:3:1:	3:4:3:	3:3:1:	N[6]-3:C-3:O-1:	C[5,6]-3:C[6]-4:C-3:	C-3:C-3:H-1:	C(N[6]C[5,6]C[6])(CCH)(O)	N[6](C[5,6]N[5,6]S[5])(C[6]C[6a]C[6]H)(CCO)	C(CC[6a]H)(CN[6]O)(H)	C(N[6]C[5,6]C[6])(CCH)(O)	N[6](C[5,6]N[5,6]S[5])(C[6]C[6a]C[6]H)(CCO){1|H<1>,2|C<4>,4|C<3>}	C(CC[6a]H)(CN[6]O)(H)	119.6150	0.000	1	119.6150	0.000	1	119.6150	0.000	1	123.0987	27.764	4	119.9745	17.530	193	119.9751	17.714	195
930	856	930	0:SP2_SP2_SP2	C	N[6]	C	3:3:1:	3:4:3:	3:3:1:	N[6]-3:C-3:O-1:	C[6,6a]-3:C[6]-4:C-3:	C-3:C-3:H-1:	C(N[6]C[6,6a]C[6])(CCH)(O)	N[6](C[6,6a]C[6,6a]2)(C[6]C[6,6a]CH)(CCO)	C(CN[6]O)(CCH)(H)	C(N[6]C[6,6a]C[6])(CCH)(O)	N[6](C[6,6a]C[6,6a]2)(C[6]C[6,6a]CH)(CCO){1|O<2>,4|C<3>}	C(CN[6]O)(CCH)(H)	117.6020	0.000	1	117.6020	0.000	1	117.6020	0.000	1	123.0987	27.764	4	119.9745	17.530	193	119.9751	17.714	195
930	856	930	0:SP2_SP2_SP2	C	N[6]	C	3:3:1:	4:3:3:	3:3:1:	N[6]-3:C-3:O-1:	C[5,6]-4:C[6]-3:C-3:	C-3:C-3:H-1:	C(N[6]C[5,6]C[6])(CCH)(O)	N[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]H)(CCO)	C(CC[6a]H)(CN[6]O)(H)	C(N[6]C[5,6]C[6])(CCH)(O)	N[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]H)(CCO){1|C<3>,2|C<4>,2|H<1>}	C(CC[6a]H)(CN[6]O)(H)	118.7760	0.000	1	118.7760	0.000	1	118.7760	0.000	1	118.7760	0.000	1	119.9745	17.530	193	119.9751	17.714	195
930	856	930	0:SP2_SP2_SP2	C	N[6]	C	3:3:1:	4:3:3:	3:3:3:	N[6]-3:C-3:H-1:	C[6,6]-4:C[6]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(N[6]C[6,6]C[6])(CC[6a]2)(H)	N[6](C[6,6]N[6,6]C[6]H)(C[6]N[6]O)(CCH)	C(C[6a]C[6a]2)2(CN[6]H)	C(N[6]C[6,6]C[6])(CC[6a]2)(H)	N[6](C[6,6]N[6,6]C[6]H)(C[6]N[6]O)(CCH){3|C<3>,3|C<4>}	C(C[6a]C[6a]2)2(CN[6]H)	123.4650	0.000	1	123.4650	0.000	1	123.4650	0.000	1	120.1345	22.184	2	119.9745	17.530	193	119.9751	17.714	195
930	856	930	0:SP2_SP2_SP2	C	N[6]	C	3:3:1:	4:3:3:	3:3:3:	N[6]-3:C-3:O-1:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C-3:C-3:	C(N[6]C[6]2)(CC[6a]C)(O)	N[6](C[6]C[6a]O[6]C)(C[6]C[6]O)(CCO)	C(C[6a]C[6a]2)(CC[6a]H)(CN[6]O)	C(N[6]C[6]2)(CC[6a]C)(O)	N[6](C[6]C[6a]O[6]C)(C[6]C[6]O)(CCO){4|C<3>}	C(C[6a]C[6a]2)(CC[6a]H)(CN[6]O)	116.8040	0.000	1	116.8040	0.000	1	116.8040	0.000	1	120.1345	22.184	2	119.9745	17.530	193	119.9751	17.714	195
930	856	930	0:SP2_SP2_SP2	C	N[6]	C	3:3:1:	4:3:3:	3:4:4:	N[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:	C-3:C-4:C-4:	C(N[6]C[6]2)(CCC)(H)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CCH)	C(CN[6]H)(CH3)2	C(N[6]C[6]2)(CCC)(H)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CCH){1|H<1>,4|C<3>}	C(CN[6]H)(CH3)2	124.2940	0.000	1	124.2940	0.000	1	124.2940	0.000	1	124.2940	0.000	1	119.9745	17.530	193	119.9751	17.714	195
930	856	930	0:SP2_SP2_SP2	C	N[6]	C	3:3:1:	4:4:3:	3:2:1:	N[6]-3:C-3:O-1:	C[6]-4:C[6]-4:C-3:	C-3:N-2:H-1:	C(N[6]C[6]2)(CHN)(O)	N[6](C[6]C[6]HH)2(CCO)	C(CN[6]O)(NN)(H)	C(N[6]C[6]2)(CHN)(O)	N[6](C[6]C[6]HH)2(CCO){1|N<3>,4|H<1>}	C(CN[6]O)(NN)(H)	117.5635	0.120	2	117.5635	0.014	2	117.5635	0.014	2	117.1010	0.649	3	119.9745	17.530	193	119.9751	17.714	195
930	856	930	0:SP2_SP2_SP2	C	N[6]	C	3:3:1:	4:4:3:	3:2:1:	N[6]-3:C-3:O-1:	C[6]-4:C[6]-4:C-3:	C-3:O-2:O-1:	C(N[6]C[6]2)(COO)(O)	N[6](C[6]C[6]HH)2(CCO)	C(CN[6]O)(OC)(O)	C(N[6]C[6]2)(COO)(O)	N[6](C[6]C[6]HH)2(CCO){1|N<3>,4|H<1>}	C(CN[6]O)(OC)(O)	116.1760	0.000	1	116.1760	0.000	1	116.1760	0.000	1	117.1010	0.649	3	119.9745	17.530	193	119.9751	17.714	195
930	856	930	0:SP2_SP2_SP2	C	N[6]	C	3:3:1:	4:4:3:	3:2:2:	N[6]-3:C-3:O-1:	C[6]-4:C[6]-4:C-3:	C-3:C-2:N-2:	C(N[6]C[6]2)(CCN)(O)	N[6](C[6]C[6]HH)2(CCO)	C(CN[6]O)(CN)(NO)	C(N[6]C[6]2)(CCN)(O)	N[6](C[6]C[6]HH)2(CCO){1|N<3>,4|H<1>}	C(CN[6]O)(CN)(NO)	123.5230	0.000	1	123.5230	0.000	1	123.5230	0.000	1	123.5230	0.000	1	119.9745	17.530	193	119.9751	17.714	195
930	856	930	0:SP2_SP2_SP2	C	N[6]	C	3:3:1:	4:4:3:	3:3:1:	N[6]-3:C-3:Br-1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C-3:O-1:	C(N[6]C[6]2)(CC[6a]O)(Br)	N[6](C[6]C[6]HH)2(CBrC)	C(C[6a]C[6a]2)(CN[6]Br)(O)	C(N[6]C[6]2)(CC[6a]O)(Br)	N[6](C[6]C[6]HH)2(CBrC){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(CN[6]Br)(O)	117.9200	0.000	1	118.0675	0.044	2	118.0675	0.044	2	118.9443	7.580	46	119.9745	17.530	193	119.9751	17.714	195
930	856	930	0:SP2_SP2_SP2	C	N[6]	C	3:3:1:	4:4:3:	3:3:1:	N[6]-3:C-3:Br-1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C-3:O-1:	C(N[6]C[6]2)(CC[6a]O)(Br)	N[6](C[6]C[6]HH)2(CBrC)	C(C[6a]C[6a]2)(CN[6]Br)(O)	C(N[6]C[6]2)(CC[6a]O)(Br)	N[6](C[6]C[6]HH)2(CBrC){1|O<2>,4|H<1>}	C(C[6a]C[6a]2)(CN[6]Br)(O)	118.2150	0.000	1	118.0675	0.044	2	118.0675	0.044	2	118.9443	7.580	46	119.9745	17.530	193	119.9751	17.714	195
930	856	930	0:SP2_SP2_SP2	C	N[6]	C	3:3:1:	4:4:3:	3:3:1:	N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-3:	C-3:C-3:H-1:	C(N[6]C[6]2)(CCH)(H)	N[6](C[6]C[6]HH)2(CCH)	C(CN[6]H)(CCH)(H)	C(N[6]C[6]2)(CCH)(H)	N[6](C[6]C[6]HH)2(CCH){1|O<2>,4|H<1>}	C(CN[6]H)(CCH)(H)	128.4350	0.000	1	128.4350	0.000	1	127.6120	1.355	2	118.9443	7.580	46	119.9745	17.530	193	119.9751	17.714	195
930	856	930	0:SP2_SP2_SP2	C	N[6]	C	3:3:1:	4:4:3:	3:3:1:	N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-3:	C-3:C-3:H-1:	C(N[6]C[6]2)(CCH)(H)	N[6](C[6]C[6]HH)2(CCH)	C(CN[6]H)(CNN)(H)	C(N[6]C[6]2)(CCH)(H)	N[6](C[6]C[6]HH)2(CCH){1|O<2>,4|H<1>}	C(CN[6]H)(CNN)(H)	126.7890	0.000	1	126.7890	0.000	1	127.6120	1.355	2	118.9443	7.580	46	119.9745	17.530	193	119.9751	17.714	195
930	856	930	0:SP2_SP2_SP2	C	N[6]	C	3:3:1:	4:4:3:	3:3:1:	N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-3:C-3:H-1:	C(N[6]C[6]2)(CC[6]H)(H)	N[6](C[6]C[6]HH)2(CCH)	C(C[6]C[5a,6]2)(CN[6]H)(H)	C(N[6]C[6]2)(CC[6]H)(H)	N[6](C[6]C[6]HH)2(CCH){1|C<4>,4|H<1>}	C(C[6]C[5a,6]2)(CN[6]H)(H)	126.5950	0.000	2	126.5950	0.000	2	126.5950	0.000	2	118.9443	7.580	46	119.9745	17.530	193	119.9751	17.714	195
930	856	930	0:SP2_SP2_SP2	C	N[6]	C	3:3:1:	4:4:3:	3:3:1:	N[6]-3:C-3:O-1:	C[6]-4:C[6]-4:C-3:	C-3:C-3:H-1:	C(N[6]C[6]2)(CCH)(O)	N[6](C[6]C[5a,6]C[5a]H)(C[6]C[6]CH)(CCO)	C(CN[6]O)(CHH)(H)	C(N[6]C[6]2)(CCH)(O)	N[6](C[6]C[5a,6]C[5a]H)(C[6]C[6]CH)(CCO){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C(CN[6]O)(CHH)(H)	119.4220	0.000	1	119.4220	0.000	1	118.2888	1.228	27	118.9443	7.580	46	119.9745	17.530	193	119.9751	17.714	195
930	856	930	0:SP2_SP2_SP2	C	N[6]	C	3:3:1:	4:4:3:	3:3:1:	N[6]-3:C-3:O-1:	C[6]-4:C[6]-4:C-3:	C-3:C-3:H-1:	C(N[6]C[6]2)(CCH)(O)	N[6](C[6]C[6]HH)2(CCO)	C(CC[5a]C)(CN[6]O)(H)	C(N[6]C[6]2)(CCH)(O)	N[6](C[6]C[6]HH)2(CCO){1|O<2>,4|H<1>}	C(CC[5a]C)(CN[6]O)(H)	116.4090	0.000	1	116.4090	0.000	1	118.2888	1.228	27	118.9443	7.580	46	119.9745	17.530	193	119.9751	17.714	195
930	856	930	0:SP2_SP2_SP2	C	N[6]	C	3:3:1:	4:4:3:	3:3:1:	N[6]-3:C-3:O-1:	C[6]-4:C[6]-4:C-3:	C-3:C-3:H-1:	C(N[6]C[6]2)(CCH)(O)	N[6](C[6]C[6]HH)2(CCO)	C(CC[5a]C[6a])(CN[6]O)(H)	C(N[6]C[6]2)(CCH)(O)	N[6](C[6]C[6]HH)2(CCO){1|O<2>,4|H<1>}	C(CC[5a]C[6a])(CN[6]O)(H)	116.4120	0.000	1	116.4120	0.000	1	118.2888	1.228	27	118.9443	7.580	46	119.9745	17.530	193	119.9751	17.714	195
930	856	930	0:SP2_SP2_SP2	C	N[6]	C	3:3:1:	4:4:3:	3:3:1:	N[6]-3:C-3:O-1:	C[6]-4:C[6]-4:C-3:	C-3:C-3:H-1:	C(N[6]C[6]2)(CCH)(O)	N[6](C[6]C[6]HH)2(CCO)	C(CC[6a]2)(CN[6]O)(H)	C(N[6]C[6]2)(CCH)(O)	N[6](C[6]C[6]HH)2(CCO){1|N<3>,4|H<1>}	C(CC[6a]2)(CN[6]O)(H)	119.8330	0.000	1	117.6990	3.569	3	118.2888	1.228	27	118.9443	7.580	46	119.9745	17.530	193	119.9751	17.714	195
930	856	930	0:SP2_SP2_SP2	C	N[6]	C	3:3:1:	4:4:3:	3:3:1:	N[6]-3:C-3:O-1:	C[6]-4:C[6]-4:C-3:	C-3:C-3:H-1:	C(N[6]C[6]2)(CCH)(O)	N[6](C[6]C[6]HH)2(CCO)	C(CC[6a]2)(CN[6]O)(H)	C(N[6]C[6]2)(CCH)(O)	N[6](C[6]C[6]HH)2(CCO){1|O<2>,4|H<1>}	C(CC[6a]2)(CN[6]O)(H)	116.6320	0.554	2	117.6990	3.569	3	118.2888	1.228	27	118.9443	7.580	46	119.9745	17.530	193	119.9751	17.714	195
930	856	930	0:SP2_SP2_SP2	C	N[6]	C	3:3:1:	4:4:3:	3:3:1:	N[6]-3:C-3:O-1:	C[6]-4:C[6]-4:C-3:	C-3:C-3:H-1:	C(N[6]C[6]2)(CCH)(O)	N[6](C[6]C[6]HH)2(CCO)	C(CC[6a]H)(CN[6]O)(H)	C(N[6]C[6]2)(CCH)(O)	N[6](C[6]C[6]HH)2(CCO){1|C<4>,4|H<1>}	C(CC[6a]H)(CN[6]O)(H)	117.8755	0.548	2	118.1708	0.295	9	118.2888	1.228	27	118.9443	7.580	46	119.9745	17.530	193	119.9751	17.714	195
930	856	930	0:SP2_SP2_SP2	C	N[6]	C	3:3:1:	4:4:3:	3:3:1:	N[6]-3:C-3:O-1:	C[6]-4:C[6]-4:C-3:	C-3:C-3:H-1:	C(N[6]C[6]2)(CCH)(O)	N[6](C[6]C[6]HH)2(CCO)	C(CC[6a]H)(CN[6]O)(H)	C(N[6]C[6]2)(CCH)(O)	N[6](C[6]C[6]HH)2(CCO){1|N<3>,4|H<1>}	C(CC[6a]H)(CN[6]O)(H)	118.2551	0.553	7	118.1708	0.295	9	118.2888	1.228	27	118.9443	7.580	46	119.9745	17.530	193	119.9751	17.714	195
930	856	930	0:SP2_SP2_SP2	C	N[6]	C	3:3:1:	4:4:3:	3:3:1:	N[6]-3:C-3:O-1:	C[6]-4:C[6]-4:C-3:	C-3:C-3:H-1:	C(N[6]C[6]2)(CCH)(O)	N[6](C[6]C[6]HH)2(CCO)	C(CN[6]O)(CCH)(H)	C(N[6]C[6]2)(CCH)(O)	N[6](C[6]C[6]HH)2(CCO){1|C<4>,4|H<1>}	C(CN[6]O)(CCH)(H)	119.0253	1.087	7	119.0253	1.181	7	118.2888	1.228	27	118.9443	7.580	46	119.9745	17.530	193	119.9751	17.714	195
930	856	930	0:SP2_SP2_SP2	C	N[6]	C	3:3:1:	4:4:3:	3:3:1:	N[6]-3:C-3:O-1:	C[6]-4:C[6]-4:C-3:	C-3:C-3:H-1:	C(N[6]C[6]2)(CCH)(O)	N[6](C[6]C[6]HH)2(CCO)	C(CN[6]O)(CHH)(H)	C(N[6]C[6]2)(CCH)(O)	N[6](C[6]C[6]HH)2(CCO){3|C<3>}	C(CN[6]O)(CHH)(H)	118.2787	0.314	3	118.2787	0.099	3	118.2888	1.228	27	118.9443	7.580	46	119.9745	17.530	193	119.9751	17.714	195
930	856	930	0:SP2_SP2_SP2	C	N[6]	C	3:3:1:	4:4:3:	3:3:1:	N[6]-3:C-3:O-1:	C[6]-4:C[6]-4:C-3:	C-3:C-3:H-1:	C(N[6]C[6]2)(CCH)(O)	N[6](C[6]C[6a]C[6]H)2(CCO)	C(CN[6]O)(CHH)(H)	C(N[6]C[6]2)(CCH)(O)	N[6](C[6]C[6a]C[6]H)2(CCO){2|C<4>,2|H<1>,5|C<3>}	C(CN[6]O)(CHH)(H)	119.3980	0.000	1	119.3980	0.000	1	118.2888	1.228	27	118.9443	7.580	46	119.9745	17.530	193	119.9751	17.714	195
930	856	930	0:SP2_SP2_SP2	C	N[6]	C	3:3:1:	4:4:3:	3:3:1:	N[6]-3:C-3:O-1:	C[6]-4:C[6]-4:C-3:	C-3:C-3:H-1:	C(N[6]C[6]2)(CCH)(O)	N[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(CCO)	C(CN[6]O)(CHH)(H)	C(N[6]C[6]2)(CCH)(O)	N[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(CCO){3|C<3>,3|H<1>}	C(CN[6]O)(CHH)(H)	117.5090	0.000	1	117.5090	0.000	1	118.2888	1.228	27	118.9443	7.580	46	119.9745	17.530	193	119.9751	17.714	195
930	856	930	0:SP2_SP2_SP2	C	N[6]	C	3:3:1:	4:4:3:	3:3:1:	N[6]-3:C-3:O-1:	C[6]-4:C[6]-4:C-3:	C[5]-3:C-3:H-1:	C(N[6]C[6]2)(CC[5]H)(O)	N[6](C[6]C[6]HH)2(CCO)	C(C[5]C[5,6a]N[5])(CN[6]O)(H)	C(N[6]C[6]2)(CC[5]H)(O)	N[6](C[6]C[6]HH)2(CCO){1|O<2>,4|H<1>}	C(C[5]C[5,6a]N[5])(CN[6]O)(H)	118.5330	0.000	1	118.5330	0.000	1	118.7270	0.075	2	118.9443	7.580	46	119.9745	17.530	193	119.9751	17.714	195
930	856	930	0:SP2_SP2_SP2	C	N[6]	C	3:3:1:	4:4:3:	3:3:1:	N[6]-3:C-3:O-1:	C[6]-4:C[6]-4:C-3:	C[5]-3:C-3:H-1:	C(N[6]C[6]2)(CC[5]H)(O)	N[6](C[6]C[6]HH)2(CCO)	C(C[5]N[5]S[5])(CN[6]O)(H)	C(N[6]C[6]2)(CC[5]H)(O)	N[6](C[6]C[6]HH)2(CCO){1|O<2>,4|H<1>}	C(C[5]N[5]S[5])(CN[6]O)(H)	118.9210	0.000	1	118.9210	0.000	1	118.7270	0.075	2	118.9443	7.580	46	119.9745	17.530	193	119.9751	17.714	195
930	856	930	0:SP2_SP2_SP2	C	N[6]	C	3:3:1:	4:4:3:	3:3:1:	N[6]-3:C-3:O-1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C-3:O-1:	C(N[6]C[6]2)(CC[6a]O)(O)	N[6](C[6]C[6]HH)2(CCO)	C(C[6a]C[6a]2)(CN[6]O)(O)	C(N[6]C[6]2)(CC[6a]O)(O)	N[6](C[6]C[6]HH)2(CCO){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(CN[6]O)(O)	118.2707	1.378	3	118.0355	1.487	4	118.0355	1.487	4	118.9443	7.580	46	119.9745	17.530	193	119.9751	17.714	195
930	856	930	0:SP2_SP2_SP2	C	N[6]	C	3:3:1:	4:4:3:	3:3:1:	N[6]-3:C-3:O-1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C-3:O-1:	C(N[6]C[6]2)(CC[6a]O)(O)	N[6](C[6]C[6]HH)2(CCO)	C(C[6a]C[6a]2)(CN[6]O)(O)	C(N[6]C[6]2)(CC[6a]O)(O)	N[6](C[6]C[6]HH)2(CCO){1|O<2>,4|H<1>}	C(C[6a]C[6a]2)(CN[6]O)(O)	117.3300	0.000	1	118.0355	1.487	4	118.0355	1.487	4	118.9443	7.580	46	119.9745	17.530	193	119.9751	17.714	195
930	856	930	0:SP2_SP2_SP2	C	N[6]	C	3:3:1:	4:4:3:	3:3:1:	N[6]-3:C-3:S-1:	C[6]-4:C[6]-4:C-3:	C-3:N-3:O-1:	C(N[6]C[6]2)(CNO)(S)	N[6](C[6]C[6]HH)2(CCS)	C(CN[6]S)(NCH)(O)	C(N[6]C[6]2)(CNO)(S)	N[6](C[6]C[6]HH)2(CCS){1|O<2>,4|H<1>}	C(CN[6]S)(NCH)(O)	117.0440	0.000	1	117.0440	0.000	1	117.0440	0.000	1	118.9443	7.580	46	119.9745	17.530	193	119.9751	17.714	195
930	856	930	0:SP2_SP2_SP2	C	N[6]	C	3:3:1:	4:4:3:	3:3:1:	N[6]-3:C-3:S-1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C-3:O-1:	C(N[6]C[6]2)(CC[6a]O)(S)	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CCS)	C(C[6a]C[6a]2)(CN[6]S)(O)	C(N[6]C[6]2)(CC[6a]O)(S)	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CCS){2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CN[6]S)(O)	119.1800	0.000	1	119.1800	0.000	1	118.1633	0.786	3	118.9443	7.580	46	119.9745	17.530	193	119.9751	17.714	195
930	856	930	0:SP2_SP2_SP2	C	N[6]	C	3:3:1:	4:4:3:	3:3:1:	N[6]-3:C-3:S-1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C-3:O-1:	C(N[6]C[6]2)(CC[6a]O)(S)	N[6](C[6]C[6]HH)2(CCS)	C(C[6a]C[6a]2)(CN[6]S)(O)	C(N[6]C[6]2)(CC[6a]O)(S)	N[6](C[6]C[6]HH)2(CCS){1|O<2>,4|H<1>}	C(C[6a]C[6a]2)(CN[6]S)(O)	117.6550	0.147	2	117.6550	0.022	2	118.1633	0.786	3	118.9443	7.580	46	119.9745	17.530	193	119.9751	17.714	195
930	856	930	0:SP2_SP2_SP2	C	N[6]	C	3:3:1:	4:4:3:	3:3:1:	N[6]-3:C-3:S-1:	C[6]-4:C[6]-4:C-3:	N[6]-3:C-3:S-1:	C(N[6]C[6]2)(CN[6]S)(S)	N[6](C[6]C[6]HH)2(CCS)	C(N[6]C[6]2)(CN[6]S)(S)	C(N[6]C[6]2)(CN[6]S)(S)	N[6](C[6]C[6]HH)2(CCS){1|O<2>,4|H<1>}	C(N[6]C[6]2)(CN[6]S)(S)	116.4630	0.194	2	116.4630	0.038	2	116.4630	0.038	2	118.9443	7.580	46	119.9745	17.530	193	119.9751	17.714	195
930	856	930	0:SP2_SP2_SP2	C	N[6]	C	3:3:1:	4:4:3:	3:3:1:	N[6]-3:C-3:Se-1:	C[6]-4:C[6]-4:C-3:	C[5a]-3:C-3:O-1:	C(N[6]C[6]2)(CC[5a]O)(Se)	N[6](C[6]C[6]HH)2(CSeC)	C(C[5a]C[5a]N[5a])(CN[6]Se)(O)	C(N[6]C[6]2)(CC[5a]O)(Se)	N[6](C[6]C[6]HH)2(CSeC){1|C<4>,4|H<1>}	C(C[5a]C[5a]N[5a])(CN[6]Se)(O)	119.0380	0.000	1	119.0380	0.000	1	119.0380	0.000	1	118.9443	7.580	46	119.9745	17.530	193	119.9751	17.714	195
930	856	930	0:SP2_SP2_SP2	C	N[6]	C	3:3:1:	4:4:3:	3:3:3:	N[6]-3:C-3:O-1:	C[6]-4:C[6]-4:C-3:	C-3:C-3:C-3:	C(N[6]C[6]2)(CCC)(O)	N[6](C[6]C[6]HH)2(CCO)	C(CC[6a]H)(CN[6]O)(COO)	C(N[6]C[6]2)(CCC)(O)	N[6](C[6]C[6]HH)2(CCO){1|O<2>,4|H<1>}	C(CC[6a]H)(CN[6]O)(COO)	119.2060	0.000	1	119.2060	0.000	1	119.2060	0.000	1	118.5510	0.858	2	119.9745	17.530	193	119.9751	17.714	195
930	856	930	0:SP2_SP2_SP2	C	N[6]	C	3:3:1:	4:4:3:	3:3:3:	N[6]-3:C-3:O-1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C-3:C-3:	C(N[6]C[6]2)(CC[6a]C)(O)	N[6](C[6]C[6a]C[6]H)2(CCO)	C(C[6a]C[6a]2)(CN[6]O)(CCO)	C(N[6]C[6]2)(CC[6a]C)(O)	N[6](C[6]C[6a]C[6]H)2(CCO){1|C<4>,3|H<1>,5|C<3>}	C(C[6a]C[6a]2)(CN[6]O)(CCO)	117.8960	0.000	1	117.8960	0.000	1	117.8960	0.000	1	118.5510	0.858	2	119.9745	17.530	193	119.9751	17.714	195
930	856	930	0:SP2_SP2_SP2	C	N[6]	C	3:3:1:	4:4:3:	3:3:4:	N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-3:	B-3:C-3:C-4:	C(N[6]C[6]2)(CBC)(H)	N[6](C[6]C[6]CC)2(CCH)	C(BC[6a]2)(CN[6]H)(CH3)	C(N[6]C[6]2)(CBC)(H)	N[6](C[6]C[6]CC)2(CCH){1|C<4>,4|H<1>}	C(BC[6a]2)(CN[6]H)(CH3)	135.1740	0.307	2	135.1740	0.094	2	135.1740	0.094	2	135.1740	0.094	2	119.9745	17.530	193	119.9751	17.714	195
930	856	930	0:SP2_SP2_SP2	C	N[6]	C	3:3:1:	4:4:3:	3:4:3:	N[6]-3:C-3:O-1:	C[6]-4:C[6]-4:C-3:	C-3:C-4:C-3:	C(N[6]C[6]2)(CCC)(O)	N[6](C[6]C[6]HH)2(CCO)	C(CN[6]O)(CH3)(CHH)	C(N[6]C[6]2)(CCC)(O)	N[6](C[6]C[6]HH)2(CCO){1|N<3>,4|H<1>}	C(CN[6]O)(CH3)(CHH)	116.5120	0.000	1	116.5120	0.000	1	116.5120	0.000	1	116.5120	0.000	1	119.9745	17.530	193	119.9751	17.714	195
930	856	930	0:SP2_SP2_SP2	C	N[6]	C	3:3:1:	4:4:3:	4:3:3:	N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-3:	S-4:C-3:C-3:	C(N[6]C[6]2)(CCS)(H)	N[6](C[6]C[6]HH)2(CCH)	C(SC[6a]OO)(CN[6]H)(CNO)	C(N[6]C[6]2)(CCS)(H)	N[6](C[6]C[6]HH)2(CCH){1|O<2>,4|H<1>}	C(SC[6a]OO)(CN[6]H)(CNO)	132.2650	0.000	1	132.2650	0.000	1	132.2650	0.000	1	132.2650	0.000	1	119.9745	17.530	193	119.9751	17.714	195
930	856	930	0:SP2_SP2_SP2	C	N[6]	C	3:3:2:	3:3:3:	3:1:1:	N[6]-3:C-3:C-2:	C[6,6a]-3:C[6,6a]-3:C-3:	C-3:Cl-1:Cl-1:	C(N[6]C[6,6a]2)(CCl2)(CC)	N[6](C[6,6a]C[6,6a]C[6a])2(CCC)	C(CN[6]C)(Cl)2	C(N[6]C[6,6a]2)(CCl2)(CC)	N[6](C[6,6a]C[6,6a]C[6a])2(CCC){1|S<2>,2|H<1>,4|C<3>}	C(CN[6]C)(Cl)2	117.7950	0.000	1	117.7950	0.000	1	117.7950	0.000	1	117.7950	0.000	1	119.9745	17.530	193	119.9751	17.714	195
930	856	930	0:SP2_SP2_SP2	C	N[6]	C	3:3:2:	4:2:3:	3:3:1:	N[6]-3:C-3:C-2:	C[6]-4:N[6]-2:C-3:	C-3:C-3:H-1:	C(N[6]C[6]N[6])(CCH)(CN)	N[6](C[6]C[6,6a]HN)(N[6]C[6])(CCC)	C(CC[6a]N)(CN[6]C)(H)	C(N[6]C[6]N[6])(CCH)(CN)	N[6](C[6]C[6,6a]HN)(N[6]C[6])(CCC){1|H<1>,2|C<3>}	C(CC[6a]N)(CN[6]C)(H)	126.8750	0.000	1	126.8750	0.000	1	126.8750	0.000	1	126.8750	0.000	1	119.9745	17.530	193	119.9751	17.714	195
930	856	930	0:SP2_SP2_SP2	C	N[6]	C	3:3:2:	4:3:3:	3:3:1:	N[6]-3:C-3:C-2:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C-3:H-1:	C(N[6]C[6]2)(CC[6a]H)(CN)	N[6](C[6]C[6]CH)(C[6]C[6]H)(CCC)	C(C[6a]C[6a]2)(CN[6]C)(H)	C(N[6]C[6]2)(CC[6a]H)(CN)	N[6](C[6]C[6]CH)(C[6]C[6]H)(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CN[6]C)(H)	127.0130	0.000	1	127.0130	0.000	1	127.0130	0.000	1	127.0130	0.000	1	119.9745	17.530	193	119.9751	17.714	195
930	856	930	0:SP2_SP2_SP2	C	N[6]	C	3:3:2:	4:4:3:	3:2:1:	N[6]-3:C-3:C-2:	C[6]-4:C[6]-4:C-3:	C-3:C-2:H-1:	C(N[6]C[6]2)(CCH)(CC)	N[6](C[6]C[6]HH)2(CCC)	C(CN[6]C)(CN)(H)	C(N[6]C[6]2)(CCH)(CC)	N[6](C[6]C[6]HH)2(CCC){1|O<2>,4|H<1>}	C(CN[6]C)(CN)(H)	123.4010	0.000	1	123.4010	0.000	1	123.4010	0.000	1	123.4010	0.000	1	119.9745	17.530	193	119.9751	17.714	195
930	856	930	0:SP2_SP2_SP2	C	N[6]	C	3:3:2:	4:4:3:	3:3:1:	N[6]-3:C-3:N-2:	C[6]-4:C[6]-4:C-3:	C-3:C-3:H-1:	C(N[6]C[6]2)(CCH)(NH)	N[6](C[6]C[6]HH)2(CCN)	C(CN[6]N)(CCN)(H)	C(N[6]C[6]2)(CCH)(NH)	N[6](C[6]C[6]HH)2(CCN){1|C<4>,4|H<1>}	C(CN[6]N)(CCN)(H)	115.4240	0.000	1	115.4240	0.000	1	118.6480	7.951	3	118.6480	7.951	3	119.9745	17.530	193	119.9751	17.714	195
930	856	930	0:SP2_SP2_SP2	C	N[6]	C	3:3:2:	4:4:3:	3:3:1:	N[6]-3:C-3:N-2:	C[6]-4:C[6]-4:C-3:	C-3:C-3:H-1:	C(N[6]C[6]2)(CCH)(NS)	N[6](C[6]C[6]HH)2(CCN)	C(CN[6]N)(CHH)(H)	C(N[6]C[6]2)(CCH)(NS)	N[6](C[6]C[6]HH)2(CCN){1|O<2>,4|H<1>}	C(CN[6]N)(CHH)(H)	120.2600	0.557	2	120.2600	0.310	2	118.6480	7.951	3	118.6480	7.951	3	119.9745	17.530	193	119.9751	17.714	195
930	856	930	0:SP2_SP2_SP2	C	N[6]	C	3:3:2:	4:4:3:	3:3:2:	N[6]-3:C-3:O-2:	C[6]-4:C[6]-4:C-3:	C-3:N-3:C-2:	C(N[6]C[6]2)(CCN)(OPt)	N[6](C[6]C[6]HH)2(CCO)	C(CN[6]O)(NPtO)(CN)	C(N[6]C[6]2)(CCN)(OPt)	N[6](C[6]C[6]HH)2(CCO){1|C<4>,4|H<1>}	C(CN[6]O)(NPtO)(CN)	124.7435	0.685	2	125.1984	0.539	7	125.1984	0.539	7	125.1984	0.539	7	119.9745	17.530	193	119.9751	17.714	195
930	856	930	0:SP2_SP2_SP2	C	N[6]	C	3:3:2:	4:4:3:	3:3:2:	N[6]-3:C-3:O-2:	C[6]-4:C[6]-4:C-3:	C-3:N-3:C-2:	C(N[6]C[6]2)(CCN)(OPt)	N[6](C[6]C[6]HH)2(CCO)	C(CN[6]O)(NPtO)(CN)	C(N[6]C[6]2)(CCN)(OPt)	N[6](C[6]C[6]HH)2(CCO){1|O<2>,4|H<1>}	C(CN[6]O)(NPtO)(CN)	125.3804	0.739	5	125.1984	0.539	7	125.1984	0.539	7	125.1984	0.539	7	119.9745	17.530	193	119.9751	17.714	195
930	856	930	0:SP2_SP2_SP2	C	N[6]	C	3:3:2:	4:4:3:	3:3:3:	N[6]-3:C-3:S-2:	C[6]-4:C[6]-4:C-3:	C-3:C-3:N-3:	C(N[6]C[6]2)(CCN)(SC)	N[6](C[6]C[6]HH)2(CCS)	C(CN[6]S)(CClC)(NOO)	C(N[6]C[6]2)(CCN)(SC)	N[6](C[6]C[6]HH)2(CCS){1|N<3>,4|H<1>}	C(CN[6]S)(CClC)(NOO)	123.2570	0.116	2	123.5750	0.310	3	123.5750	0.310	3	123.5750	0.310	3	119.9745	17.530	193	119.9751	17.714	195
930	856	930	0:SP2_SP2_SP2	C	N[6]	C	3:3:2:	4:4:3:	3:3:3:	N[6]-3:C-3:S-2:	C[6]-4:C[6]-4:C-3:	C-3:C-3:N-3:	C(N[6]C[6]2)(CCN)(SC)	N[6](C[6]C[6]HH)2(CCS)	C(CN[6]S)(CClC)(NOO)	C(N[6]C[6]2)(CCN)(SC)	N[6](C[6]C[6]HH)2(CCS){1|S<2>,4|H<1>}	C(CN[6]S)(CClC)(NOO)	124.2110	0.000	1	123.5750	0.310	3	123.5750	0.310	3	123.5750	0.310	3	119.9745	17.530	193	119.9751	17.714	195
930	856	930	0:SP2_SP2_SP2	C	N[6]	C	3:3:3:	3:3:3:	3:1:1:	N[6]-3:C-3:C-3:	C[6]-3:C[6]-3:C-3:	C-3:O-1:O-1:	C(N[6]C[6]2)(CCH)(COO)	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(CCC)	C(CN[6]C)(O)2	C(N[6]C[6]2)(CCH)(COO)	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(CCC){1|H<1>,2|C<3>}	C(CN[6]C)(O)2	116.1700	0.000	1	116.1700	0.000	1	114.4262	1.652	16	114.4262	1.652	16	119.9745	17.530	193	119.9751	17.714	195
930	856	930	0:SP2_SP2_SP2	C	N[6]	C	3:3:3:	3:3:3:	3:1:1:	N[6]-3:C-3:C-3:	C[6]-3:C[6]-3:C-3:	C-3:O-1:O-1:	C(N[6]C[6]2)(CCH)(COO)	N[6](C[6]C[6]H)2(CCC)	C(CN[6]C)(O)2	C(N[6]C[6]2)(CCH)(COO)	N[6](C[6]C[6]H)2(CCC){1|C<3>,1|H<1>,1|O<2>}	C(CN[6]C)(O)2	115.2430	0.000	1	114.1694	1.083	13	114.4262	1.652	16	114.4262	1.652	16	119.9745	17.530	193	119.9751	17.714	195
930	856	930	0:SP2_SP2_SP2	C	N[6]	C	3:3:3:	3:3:3:	3:1:1:	N[6]-3:C-3:C-3:	C[6]-3:C[6]-3:C-3:	C-3:O-1:O-1:	C(N[6]C[6]2)(CCH)(COO)	N[6](C[6]C[6]H)2(CCC)	C(CN[6]C)(O)2	C(N[6]C[6]2)(CCH)(COO)	N[6](C[6]C[6]H)2(CCC){1|C<3>,2|H<1>}	C(CN[6]C)(O)2	113.9975	1.042	11	114.1694	1.083	13	114.4262	1.652	16	114.4262	1.652	16	119.9745	17.530	193	119.9751	17.714	195
930	856	930	0:SP2_SP2_SP2	C	N[6]	C	3:3:3:	3:3:3:	3:1:1:	N[6]-3:C-3:C-3:	C[6]-3:C[6]-3:C-3:	C-3:O-1:O-1:	C(N[6]C[6]2)(CCH)(COO)	N[6](C[6]C[6]H)2(CCC)	C(CN[6]C)(O)2	C(N[6]C[6]2)(CCH)(COO)	N[6](C[6]C[6]H)2(CCC){1|H<1>,2|C<3>}	C(CN[6]C)(O)2	114.9860	0.000	1	114.1694	1.083	13	114.4262	1.652	16	114.4262	1.652	16	119.9745	17.530	193	119.9751	17.714	195
930	856	930	0:SP2_SP2_SP2	C	N[6]	C	3:3:3:	3:3:3:	3:1:1:	N[6]-3:C-3:C-3:	C[6]-3:C[6]-3:C-3:	C-3:O-1:O-1:	C(N[6]C[6]2)(CN[6]C)(COO)	N[6](C[6]C[6]H)2(CCC)	C(CN[6]C)(O)2	C(N[6]C[6]2)(CN[6]C)(COO)	N[6](C[6]C[6]H)2(CCC){1|C<3>,2|H<1>}	C(CN[6]C)(O)2	115.2235	2.570	2	115.2235	6.607	2	114.4262	1.652	16	114.4262	1.652	16	119.9745	17.530	193	119.9751	17.714	195
930	856	930	0:SP2_SP2_SP2	C	N[6]	C	3:3:3:	3:3:3:	3:2:1:	C[5]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:C-3:	C-3:O-2:O-1:	C(C[5]C[5]S[5])(N[6]C[6]2)(COO)	N[6](C[6]C[6]H)(C[6]C[6]S)(CC[5]C)	C(CC[5]N[6])(OC)(O)	C(C[5]C[5]S[5])(N[6]C[6]2)(COO)	N[6](C[6]C[6]H)(C[6]C[6]S)(CC[5]C){1|C<3>,2|H<1>}	C(CC[5]N[6])(OC)(O)	117.5140	0.000	1	117.5140	0.000	1	117.5140	0.000	1	117.2814	2.407	14	119.9745	17.530	193	119.9751	17.714	195
930	856	930	0:SP2_SP2_SP2	C	N[6]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:C-3:	C-3:N-2:H-1:	C(C[6a]C[6a]2)(N[6]C[6]2)(CHN)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(CC[6a]C)	C(CC[6a]N[6])(NS)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(CHN)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(CC[6a]C){2|H<1>,3|C<3>}	C(CC[6a]N[6])(NS)(H)	117.4210	0.000	1	117.4210	0.000	1	117.4210	0.000	1	117.2814	2.407	14	119.9745	17.530	193	119.9751	17.714	195
930	856	930	0:SP2_SP2_SP2	C	N[6]	C	3:3:3:	3:3:3:	3:2:1:	N[6]-3:C-3:C-3:	C[6]-3:C[6]-3:C-3:	C-3:O-2:O-1:	C(N[6]C[6]2)(CCC)(COO)	N[6](C[6]C[6]H)2(CCC)	C(CN[6]C)(OC)(O)	C(N[6]C[6]2)(CCC)(COO)	N[6](C[6]C[6]H)2(CCC){1|C<3>,2|H<1>}	C(CN[6]C)(OC)(O)	117.0102	1.697	10	117.0102	2.880	10	117.2504	2.836	12	117.2814	2.407	14	119.9745	17.530	193	119.9751	17.714	195
930	856	930	0:SP2_SP2_SP2	C	N[6]	C	3:3:3:	3:3:3:	3:2:1:	N[6]-3:C-3:C-3:	C[6]-3:C[6]-3:C-3:	C-3:O-2:O-1:	C(N[6]C[6]2)(CCO)(COO)	N[6](C[6]C[6a]C[6])(C[6]C[6,6a]H)(CCC)	C(CN[6]C)(OC)(O)	C(N[6]C[6]2)(CCO)(COO)	N[6](C[6]C[6a]C[6])(C[6]C[6,6a]H)(CCC){1|Br<1>,4|C<3>}	C(CN[6]C)(OC)(O)	118.4515	1.350	2	118.4515	1.822	2	117.2504	2.836	12	117.2814	2.407	14	119.9745	17.530	193	119.9751	17.714	195
930	856	930	0:SP2_SP2_SP2	C	N[6]	C	3:3:3:	3:3:3:	3:2:2:	N[6]-3:C-3:C-3:	C[6,6a]-3:C[6,6a]-3:C-3:	C-3:C-2:C-2:	C(N[6]C[6,6a]2)(CCC)2	N[6](C[6,6a]C[6,6a]C[6a])2(CCC)	C(CN[6]C)(CN)2	C(N[6]C[6,6a]2)(CCC)2	N[6](C[6,6a]C[6,6a]C[6a])2(CCC){1|S<2>,2|H<1>,4|C<3>}	C(CN[6]C)(CN)2	127.5140	0.000	1	127.5140	0.000	1	127.5140	0.000	1	127.5140	0.000	1	119.9745	17.530	193	119.9751	17.714	195
930	856	930	0:SP2_SP2_SP2	C	N[6]	C	3:3:3:	3:3:3:	3:3:1:	N[6]-3:C-3:C-3:	C[6]-3:C[6]-3:C-3:	C-3:C-3:H-1:	C(N[6]C[6]2)(CCH)(COO)	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(CCC)	C(CN[6]C)(COO)(H)	C(N[6]C[6]2)(CCH)(COO)	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(CCC){1|H<1>,2|C<3>}	C(CN[6]C)(COO)(H)	120.4090	0.000	1	120.4090	0.000	1	120.7308	2.903	14	120.1501	5.034	16	119.9745	17.530	193	119.9751	17.714	195
930	856	930	0:SP2_SP2_SP2	C	N[6]	C	3:3:3:	3:3:3:	3:3:1:	N[6]-3:C-3:C-3:	C[6]-3:C[6]-3:C-3:	C-3:C-3:H-1:	C(N[6]C[6]2)(CCH)(COO)	N[6](C[6]C[6]H)2(CCC)	C(CN[6]C)(COO)(H)	C(N[6]C[6]2)(CCH)(COO)	N[6](C[6]C[6]H)2(CCC){1|C<3>,1|H<1>,1|O<2>}	C(CN[6]C)(COO)(H)	121.3700	0.000	1	120.7555	3.136	13	120.7308	2.903	14	120.1501	5.034	16	119.9745	17.530	193	119.9751	17.714	195
930	856	930	0:SP2_SP2_SP2	C	N[6]	C	3:3:3:	3:3:3:	3:3:1:	N[6]-3:C-3:C-3:	C[6]-3:C[6]-3:C-3:	C-3:C-3:H-1:	C(N[6]C[6]2)(CCH)(COO)	N[6](C[6]C[6]H)2(CCC)	C(CN[6]C)(COO)(H)	C(N[6]C[6]2)(CCH)(COO)	N[6](C[6]C[6]H)2(CCC){1|C<3>,2|H<1>}	C(CN[6]C)(COO)(H)	120.5671	1.864	11	120.7555	3.136	13	120.7308	2.903	14	120.1501	5.034	16	119.9745	17.530	193	119.9751	17.714	195
930	856	930	0:SP2_SP2_SP2	C	N[6]	C	3:3:3:	3:3:3:	3:3:1:	N[6]-3:C-3:C-3:	C[6]-3:C[6]-3:C-3:	C-3:C-3:H-1:	C(N[6]C[6]2)(CCH)(COO)	N[6](C[6]C[6]H)2(CCC)	C(CN[6]C)(COO)(H)	C(N[6]C[6]2)(CCH)(COO)	N[6](C[6]C[6]H)2(CCC){1|H<1>,2|C<3>}	C(CN[6]C)(COO)(H)	122.2140	0.000	1	120.7555	3.136	13	120.7308	2.903	14	120.1501	5.034	16	119.9745	17.530	193	119.9751	17.714	195
930	856	930	0:SP2_SP2_SP2	C	N[6]	C	3:3:3:	3:3:3:	3:3:1:	N[6]-3:C-3:C-3:	C[6]-3:C[6]-3:C-3:	C-3:C-3:O-1:	C(N[6]C[6]2)(CCO)(COO)	N[6](C[6]C[6a]C[6])(C[6]C[6,6a]H)(CCC)	C(CN[6]C)(COO)(O)	C(N[6]C[6]2)(CCO)(COO)	N[6](C[6]C[6a]C[6])(C[6]C[6,6a]H)(CCC){1|Br<1>,4|C<3>}	C(CN[6]C)(COO)(O)	116.0850	0.045	2	116.0850	0.002	2	116.0850	0.002	2	120.1501	5.034	16	119.9745	17.530	193	119.9751	17.714	195
930	856	930	0:SP2_SP2_SP2	C	N[6]	C	3:3:3:	3:3:3:	3:3:2:	N[6]-3:C-3:C-3:	C[6]-3:C[6]-3:C-3:	C[6a]-3:C-3:O-2:	C(N[6]C[6]2)(CC[6a]O)(COsH)	N[6](C[6]C[6]C)(C[6]C[6]H)(CCC)	C(C[6a]C[6a]2)(CN[6]C)(OOs)	C(N[6]C[6]2)(CC[6a]O)(COsH)	N[6](C[6]C[6]C)(C[6]C[6]H)(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CN[6]C)(OOs)	121.1510	0.235	2	121.1510	0.055	2	121.1510	0.055	2	121.1510	0.055	2	119.9745	17.530	193	119.9751	17.714	195
930	856	930	0:SP2_SP2_SP2	C	N[6]	C	3:3:3:	3:3:3:	3:3:3:	N[6]-3:C-3:C-3:	C[6]-3:C[6]-3:C-3:	C-3:C-3:C-3:	C(N[6]C[6]2)(CCC)(COO)	N[6](C[6]C[6]H)2(CCC)	C(CC[5a]O)(CN[6]C)(COO)	C(N[6]C[6]2)(CCC)(COO)	N[6](C[6]C[6]H)2(CCC){1|C<3>,2|H<1>}	C(CC[5a]O)(CN[6]C)(COO)	120.6140	0.477	2	120.6140	0.227	2	120.7221	1.185	10	120.8511	1.296	12	119.9745	17.530	193	119.9751	17.714	195
930	856	930	0:SP2_SP2_SP2	C	N[6]	C	3:3:3:	3:3:3:	3:3:3:	N[6]-3:C-3:C-3:	C[6]-3:C[6]-3:C-3:	C-3:C-3:C-3:	C(N[6]C[6]2)(CCC)(COO)	N[6](C[6]C[6]H)2(CCC)	C(CC[6a]O)(CN[6]C)(COO)	C(N[6]C[6]2)(CCC)(COO)	N[6](C[6]C[6]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]O)(CN[6]C)(COO)	120.8093	1.304	7	120.8093	1.701	7	120.7221	1.185	10	120.8511	1.296	12	119.9745	17.530	193	119.9751	17.714	195
930	856	930	0:SP2_SP2_SP2	C	N[6]	C	3:3:3:	3:3:3:	3:3:3:	N[6]-3:C-3:C-3:	C[6]-3:C[6]-3:C-3:	C-3:C-3:C-3:	C(N[6]C[6]2)(CCC)(COO)	N[6](C[6]C[6]H)2(CCC)	C(CN[6]C)(CCC)(COO)	C(N[6]C[6]2)(CCC)(COO)	N[6](C[6]C[6]H)2(CCC){1|C<3>,2|H<1>}	C(CN[6]C)(CCC)(COO)	120.3280	0.000	1	120.3280	0.000	1	120.7221	1.185	10	120.8511	1.296	12	119.9745	17.530	193	119.9751	17.714	195
930	856	930	0:SP2_SP2_SP2	C	N[6]	C	3:3:3:	3:3:3:	3:3:3:	N[6]-3:C-3:C-3:	C[6]-3:C[6]-3:C-3:	N[6]-3:C-3:C-3:	C(N[6]C[6]2)(CN[6]C)(COO)	N[6](C[6]C[6]H)2(CCC)	C(N[6]C[6]2)(CN[6]C)(COO)	C(N[6]C[6]2)(CN[6]C)(COO)	N[6](C[6]C[6]H)2(CCC){1|C<3>,2|H<1>}	C(N[6]C[6]2)(CN[6]C)(COO)	121.4960	1.609	2	121.4960	2.590	2	121.4960	2.590	2	120.8511	1.296	12	119.9745	17.530	193	119.9751	17.714	195
930	856	930	0:SP2_SP2_SP2	C	N[6]	C	3:3:3:	3:3:3:	3:4:3:	N[6]-3:C-3:C-3:	C[6,6a]-3:C[6,6a]-3:C-3:	C-3:C-4:C-3:	C(N[6]C[6,6a]2)(CCC)2	N[6](C[6,6a]C[6,6a]C[6a])2(CCC)	C(CN[6]C)(CH3)(CCC)	C(N[6]C[6,6a]2)(CCC)2	N[6](C[6,6a]C[6,6a]C[6a])2(CCC){1|S<2>,2|H<1>,4|C<3>}	C(CN[6]C)(CH3)(CCC)	114.8020	0.000	1	114.8020	0.000	1	114.8020	0.000	1	114.8020	0.000	1	119.9745	17.530	193	119.9751	17.714	195
930	856	930	0:SP2_SP2_SP2	C	N[6]	C	3:3:3:	3:4:3:	3:2:1:	N[6]-3:C-3:C-3:	C[6,6a]-3:C[6]-4:C-3:	C-3:O-2:O-1:	C(N[6]C[6,6a]C[6])(CCH)(COO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCC)	C(CN[6]C)(OC)(O)	C(N[6]C[6,6a]C[6])(CCH)(COO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCC){2|H<1>,3|C<3>}	C(CN[6]C)(OC)(O)	114.5220	0.000	1	114.5220	0.000	1	114.5220	0.000	1	113.1400	3.820	2	119.9745	17.530	193	119.9751	17.714	195
930	856	930	0:SP2_SP2_SP2	C	N[6]	C	3:3:3:	3:4:3:	3:2:1:	N[6]-3:C-3:C-3:	C[6]-3:C[6]-4:C-3:	C-3:O-2:O-1:	C(N[6]C[6]2)(CC[5]C)(COO)	N[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CCC)	C(CN[6]C)(OC)(O)	C(N[6]C[6]2)(CC[5]C)(COO)	N[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CCC){2|C<3>,2|H<1>}	C(CN[6]C)(OC)(O)	111.7580	0.000	1	111.7580	0.000	1	111.7580	0.000	1	113.1400	3.820	2	119.9745	17.530	193	119.9751	17.714	195
930	856	930	0:SP2_SP2_SP2	C	N[6]	C	3:3:3:	3:4:3:	3:3:1:	N[6]-3:C-3:C-3:	C[6,6a]-3:C[6]-4:C-3:	C-3:C-3:H-1:	C(N[6]C[6,6a]C[6])(CCH)(COO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCC)	C(CN[6]C)(COO)(H)	C(N[6]C[6,6a]C[6])(CCH)(COO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCC){2|H<1>,3|C<3>}	C(CN[6]C)(COO)(H)	124.1420	0.000	1	124.1420	0.000	1	124.1420	0.000	1	124.1420	0.000	1	119.9745	17.530	193	119.9751	17.714	195
930	856	930	0:SP2_SP2_SP2	C	N[6]	C	3:3:3:	3:4:3:	3:3:2:	N[6]-3:C[6a]-3:C-3:	C[6,6]-3:C[6]-4:C-3:	C[6a]-3:C-3:O-2:	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(CC[6a]O)	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]N[6])(OH)	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(CC[6a]O)	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CC[6a]C){3|C<4>,3|H<1>}	C(C[6a]C[6a]2)(CC[6a]N[6])(OH)	119.5775	0.230	2	119.5775	0.053	2	119.5775	0.053	2	119.5775	0.053	2	119.9745	17.530	193	119.9751	17.714	195
930	856	930	0:SP2_SP2_SP2	C	N[6]	C	3:3:3:	3:4:3:	4:3:3:	N[6]-3:C-3:C-3:	C[6]-3:C[6]-4:C-3:	C[5]-4:C-3:C-3:	C(N[6]C[6]2)(CC[5]C)(COO)	N[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CCC)	C(C[5]C[5,6a]2C)(CN[6]C)(COO)	C(N[6]C[6]2)(CC[5]C)(COO)	N[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CCC){2|C<3>,2|H<1>}	C(C[5]C[5,6a]2C)(CN[6]C)(COO)	128.7450	0.000	1	128.7450	0.000	1	128.7450	0.000	1	128.7450	0.000	1	119.9745	17.530	193	119.9751	17.714	195
930	856	930	0:SP2_SP2_SP2	C	N[6]	C	3:3:3:	4:3:3:	3:2:1:	N[6]-3:C-3:C-3:	C[6]-4:C[6]-3:C-3:	C-3:O-2:O-1:	C(N[6]C[6]2)(CCO)(COO)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]H)(CCC)	C(CN[6]C)(OC)(O)	C(N[6]C[6]2)(CCO)(COO)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]H)(CCC){5|C<3>}	C(CN[6]C)(OC)(O)	120.7360	0.000	1	120.7360	0.000	1	117.4710	21.320	2	117.4710	21.320	2	119.9745	17.530	193	119.9751	17.714	195
930	856	930	0:SP2_SP2_SP2	C	N[6]	C	3:3:3:	4:3:3:	3:2:1:	N[6]-3:C-3:C-3:	C[6]-4:C[6]-3:C-3:	C-3:O-2:O-1:	C(N[6]C[6]2)(CCS)(COO)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CCC)	C(CN[6]C)(OC)(O)	C(N[6]C[6]2)(CCS)(COO)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CCC){2|H<1>,3|C<3>}	C(CN[6]C)(OC)(O)	114.2060	0.000	1	114.2060	0.000	1	117.4710	21.320	2	117.4710	21.320	2	119.9745	17.530	193	119.9751	17.714	195
930	856	930	0:SP2_SP2_SP2	C	N[6]	C	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:N[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(N[6]C[6]2)(CHN)	N[6](C[6]C[4,6]C[6a]H)(C[6]C[6a]C[6])(CC[6a]C)	C(CC[6a]N[6])(NC[6a]S)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(CHN)	N[6](C[6]C[4,6]C[6a]H)(C[6]C[6a]C[6])(CC[6a]C){1|C<4>,2|H<1>,5|C<3>}	C(CC[6a]N[6])(NC[6a]S)(H)	123.8280	0.000	1	123.8280	0.000	1	123.8280	0.000	1	119.9750	29.691	2	119.9745	17.530	193	119.9751	17.714	195
930	856	930	0:SP2_SP2_SP2	C	N[6]	C	3:3:3:	4:3:3:	3:3:1:	N[6]-3:C-3:C-3:	C[6]-4:C[6]-3:C-3:	C-3:C-3:O-1:	C(N[6]C[6]2)(CCO)(COO)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]H)(CCC)	C(CN[6]C)(COO)(O)	C(N[6]C[6]2)(CCO)(COO)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]H)(CCC){5|C<3>}	C(CN[6]C)(COO)(O)	116.1220	0.000	1	116.1220	0.000	1	116.1220	0.000	1	119.9750	29.691	2	119.9745	17.530	193	119.9751	17.714	195
930	856	930	0:SP2_SP2_SP2	C	N[6]	C	3:3:3:	4:3:3:	3:3:2:	N[6]-3:C-3:C-3:	C[6]-4:C[6]-3:C-3:	C-3:C-3:S-2:	C(N[6]C[6]2)(CCS)(COO)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CCC)	C(CC[6a]O)(CN[6]C)(SC[6a])	C(N[6]C[6]2)(CCS)(COO)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CCC){2|H<1>,3|C<3>}	C(CC[6a]O)(CN[6]C)(SC[6a])	126.9700	0.000	1	126.9700	0.000	1	126.9700	0.000	1	126.9700	0.000	1	119.9745	17.530	193	119.9751	17.714	195
930	856	930	0:SP2_SP2_SP2	C	N[6]	C	3:3:3:	4:4:3:	3:1:1:	N[6]-3:N-3:C-3:	C[6]-4:C[6]-4:C-3:	C-3:I-1:I-1:	C(N[6]C[6]2)(NC[6a]C)(CII)	N[6](C[6]C[6]HH)2(CCN)	C(CN[6]N)(I)2	C(N[6]C[6]2)(NC[6a]C)(CII)	N[6](C[6]C[6]HH)2(CCN){1|O<2>,4|H<1>}	C(CN[6]N)(I)2	122.6790	0.000	1	122.6790	0.000	1	122.6790	0.000	1	120.0167	5.344	3	119.9745	17.530	193	119.9751	17.714	195
930	856	930	0:SP2_SP2_SP2	C	N[6]	C	3:3:3:	4:4:3:	3:1:1:	N[6]-3:N[6]-3:C-3:	C[6]-4:C[6]-4:C-3:	C-3:S-1:S-1:	C(N[6]C[6]2)2(CSS)	N[6](C[6]C[6]HH)2(CN[6]C)	C(CN[6]2)(S)2	C(N[6]C[6]2)2(CSS)	N[6](C[6]C[6]HH)2(CN[6]C){1|O<2>,4|H<1>}	C(CN[6]2)(S)2	118.6855	0.237	2	118.6855	0.056	2	118.6855	0.056	2	120.0167	5.344	3	119.9745	17.530	193	119.9751	17.714	195
930	856	930	0:SP2_SP2_SP2	C	N[6]	C	3:3:3:	4:4:3:	3:2:1:	C[6]-3:N[6]-3:C-3:	C[6]-4:C[6]-4:C-3:	C-3:C-2:H-1:	C(C[6]C[6]2)(N[6]C[6]2)(CCH)	N[6](C[6]C[6]HH)2(CC[6]C)	C(CC[6]N[6])(CN)(H)	C(C[6]C[6]2)(N[6]C[6]2)(CCH)	N[6](C[6]C[6]HH)2(CC[6]C){1|C<4>,4|H<1>}	C(CC[6]N[6])(CN)(H)	124.1370	0.672	2	124.1370	0.451	2	124.1370	0.451	2	121.1227	27.484	3	119.9745	17.530	193	119.9751	17.714	195
930	856	930	0:SP2_SP2_SP2	C	N[6]	C	3:3:3:	4:4:3:	3:2:1:	N[6]-3:C-3:C-3:	C[6]-4:C[6]-4:C-3:	C-3:O-2:O-1:	C(N[6]C[6]2)(CCH)(COO)	N[6](C[6]C[6a]C[6]H)2(CCC)	C(CN[6]C)(OC)(O)	C(N[6]C[6]2)(CCH)(COO)	N[6](C[6]C[6a]C[6]H)2(CCC){2|H<1>,6|C<3>}	C(CN[6]C)(OC)(O)	115.0940	0.000	1	115.0940	0.000	1	115.0940	0.000	1	121.1227	27.484	3	119.9745	17.530	193	119.9751	17.714	195
930	856	930	0:SP2_SP2_SP2	C	N[6]	C	3:3:3:	4:4:3:	3:3:1:	C[6a]-3:N[6]-3:C-3:	C[6]-4:C[6]-4:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(N[6]C[6]2)(CCH)	N[6](C[6]C[6]HH)2(CC[6a]C)	C(CC[6a]N[6])(CCH)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(CCH)	N[6](C[6]C[6]HH)2(CC[6a]C){1|O<2>,4|H<1>}	C(CC[6a]N[6])(CCH)(H)	121.9450	0.000	1	121.9450	0.000	1	121.9450	0.000	1	119.0977	7.373	15	119.9745	17.530	193	119.9751	17.714	195
930	856	930	0:SP2_SP2_SP2	C	N[6]	C	3:3:3:	4:4:3:	3:3:1:	C[6a]-3:N[6]-3:C-3:	C[6]-4:C[6]-4:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(N[6]C[6]2)(CHN)	N[6](C[6]C[6]HH)2(CC[6a]C)	C(CC[6a]N[6])(NOO)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(CHN)	N[6](C[6]C[6]HH)2(CC[6a]C){1|C<4>,4|H<1>}	C(CC[6a]N[6])(NOO)(H)	120.3370	0.000	1	120.3370	0.000	1	120.3370	0.000	1	119.0977	7.373	15	119.9745	17.530	193	119.9751	17.714	195
930	856	930	0:SP2_SP2_SP2	C	N[6]	C	3:3:3:	4:4:3:	3:3:1:	N[6]-3:C-3:C-3:	C[6]-4:C[6]-4:C-3:	C-3:C-3:H-1:	C(N[6]C[6]2)(CCH)(CCO)	N[6](C[6]C[6]HH)2(CCC)	C(CN[6]C)(CCH)(H)	C(N[6]C[6]2)(CCH)(CCO)	N[6](C[6]C[6]HH)2(CCC){1|N<3>,4|H<1>}	C(CN[6]C)(CCH)(H)	120.8470	0.000	1	120.8470	0.000	1	119.4738	5.814	11	119.0977	7.373	15	119.9745	17.530	193	119.9751	17.714	195
930	856	930	0:SP2_SP2_SP2	C	N[6]	C	3:3:3:	4:4:3:	3:3:1:	N[6]-3:C-3:C-3:	C[6]-4:C[6]-4:C-3:	C-3:C-3:H-1:	C(N[6]C[6]2)(CCH)(COO)	N[6](C[6]C[6a]C[6]H)2(CCC)	C(CN[6]C)(COO)(H)	C(N[6]C[6]2)(CCH)(COO)	N[6](C[6]C[6a]C[6]H)2(CCC){2|H<1>,6|C<3>}	C(CN[6]C)(COO)(H)	125.2570	0.000	1	125.2570	0.000	1	119.4738	5.814	11	119.0977	7.373	15	119.9745	17.530	193	119.9751	17.714	195
930	856	930	0:SP2_SP2_SP2	C	N[6]	C	3:3:3:	4:4:3:	3:3:1:	N[6]-3:C-3:C-3:	C[6]-4:C[6]-4:C-3:	C-3:C-3:H-1:	C(N[6]C[6]2)(CCH)2	N[6](C[6]C[6]HH)2(CCC)	C(CN[6]C)(CCH)(H)	C(N[6]C[6]2)(CCH)2	N[6](C[6]C[6]HH)2(CCC){1|O<2>,4|H<1>}	C(CN[6]C)(CCH)(H)	118.6787	1.463	9	118.6787	2.140	9	119.4738	5.814	11	119.0977	7.373	15	119.9745	17.530	193	119.9751	17.714	195
930	856	930	0:SP2_SP2_SP2	C	N[6]	C	3:3:3:	4:4:3:	3:3:1:	N[6]-3:C-3:C-3:	C[6]-4:C[6]-4:C-3:	C-3:C-3:O-1:	C(N[6]C[6]2)(CCH)(CCO)	N[6](C[6]C[6]HH)2(CCC)	C(CN[6]C)(CCH)(O)	C(N[6]C[6]2)(CCH)(CCO)	N[6](C[6]C[6]HH)2(CCC){1|N<3>,4|H<1>}	C(CN[6]C)(CCH)(O)	114.7930	0.000	1	114.7930	0.000	1	114.7930	0.000	1	119.0977	7.373	15	119.9745	17.530	193	119.9751	17.714	195
930	856	930	0:SP2_SP2_SP2	C	N[6]	C	3:3:3:	4:4:3:	3:3:1:	N[6]-3:C-3:C-3:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C-3:O-1:	C(N[6]C[6]2)(CC[6a]O)(CCN)	N[6](C[6]C[6]HH)2(CCC)	C(C[6a]C[6a]2)(CN[6]C)(O)	C(N[6]C[6]2)(CC[6a]O)(CCN)	N[6](C[6]C[6]HH)2(CCC){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(CN[6]C)(O)	115.1790	0.000	1	115.1790	0.000	1	115.1790	0.000	1	119.0977	7.373	15	119.9745	17.530	193	119.9751	17.714	195
930	856	930	0:SP2_SP2_SP2	C	N[6]	C	3:3:3:	4:4:3:	3:3:3:	N[6]-3:C-3:C-3:	C[6]-4:C[6]-4:C-3:	C-3:C-3:N-3:	C(N[6]C[6]2)(CC[6a]O)(CCN)	N[6](C[6]C[6]HH)2(CCC)	C(CN[6]C)(COO)(NOO)	C(N[6]C[6]2)(CC[6a]O)(CCN)	N[6](C[6]C[6]HH)2(CCC){1|C<4>,4|H<1>}	C(CN[6]C)(COO)(NOO)	125.8930	0.000	1	125.8930	0.000	1	125.8930	0.000	1	125.8930	0.000	1	119.9745	17.530	193	119.9751	17.714	195
930	856	930	0:SP2_SP2_SP2	C	N[6]	C	3:3:3:	4:4:3:	3:3:4:	C[6a]-3:N[6]-3:C-3:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]C)	N[6](C[6]C[6]HH)2(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]N[6])(CCHH)	C(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]C)	N[6](C[6]C[6]HH)2(CC[6a]C){1|O<2>,4|H<1>}	C(C[6a]C[6a]2)(CC[6a]N[6])(CCHH)	119.9320	0.000	1	119.9320	0.000	1	119.9320	0.000	1	119.9320	0.000	1	119.9745	17.530	193	119.9751	17.714	195
930	856	930	0:SP2_SP2_SP2	C	N[6]	C	3:3:4:	4:4:3:	3:3:3:	N[6]-3:C-3:C-4:	C[6]-4:C[6]-4:C-3:	N[4]-3:C-3:C-3:	C(N[6]C[6]2)(CN[4]C)(CH3)	N[6](C[6]C[6]HH)2(CCC)	C(N[4]C[4,5]C[4])(CN[6]C)(COO)	C(N[6]C[6]2)(CN[4]C)(CH3)	N[6](C[6]C[6]HH)2(CCC){1|O<2>,4|H<1>}	C(N[4]C[4,5]C[4])(CN[6]C)(COO)	121.8210	0.000	1	121.8210	0.000	1	121.8210	0.000	1	121.8210	0.000	1	119.9745	17.530	193	119.9751	17.714	195
930	856	930	0:SP2_SP2_SP2	C	N[6]	C	3:4:3:	3:3:3:	3:3:1:	N[6]-3:C-4:C-3:	C[6]-3:C[6]-3:C-3:	C-3:C-3:H-1:	C(N[6]C[6]2)(CPdCH)(CCH)	N[6](C[6]C[6]H)2(CCC)	C(CN[6]C)(CCH)(H)	C(N[6]C[6]2)(CPdCH)(CCH)	N[6](C[6]C[6]H)2(CCC){1|C<3>,2|C<4>}	C(CN[6]C)(CCH)(H)	116.1223	0.492	3	116.1223	0.242	3	116.1223	0.242	3	116.1223	0.242	3	119.9745	17.530	193	119.9751	17.714	195
930	856	930	0:SP2_SP2_SP2	C	N[6]	C	3:4:3:	4:4:3:	3:3:2:	N[6]-3:C-4:C-3:	C[6]-4:C[6]-4:C-3:	C-3:C-3:C-2:	C(N[6]C[6]2)(CCHH)(CCC)	N[6](C[6]C[6]HH)2(CCC)	C(CN[6]C)(COO)(CN)	C(N[6]C[6]2)(CCHH)(CCC)	N[6](C[6]C[6]HH)2(CCC){1|C<4>,4|H<1>}	C(CN[6]C)(COO)(CN)	125.3533	1.363	4	125.3533	1.858	4	125.3533	1.858	4	125.3533	1.858	4	119.9745	17.530	193	119.9751	17.714	195
930	856	930	0:SP2_SP2_SP2	C	N[6]	C	3:4:3:	4:4:3:	3:3:3:	N[6]-3:C-4:C-3:	C[6]-4:C[6]-4:C-3:	C-3:C-3:C-3:	C(N[6]C[6]2)(CCHH)(CCC)	N[6](C[6]C[6]HH)2(CCC)	C(CN[6]C)(CCC)(COO)	C(N[6]C[6]2)(CCHH)(CCC)	N[6](C[6]C[6]HH)2(CCC){1|O<2>,4|H<1>}	C(CN[6]C)(CCC)(COO)	123.4520	0.000	1	123.4520	0.000	1	123.4520	0.000	1	123.4520	0.000	1	119.9745	17.530	193	119.9751	17.714	195
930	856	930	0:SP2_SP2_SP2	C	N[6]	C	4:3:3:	4:4:3:	3:1:1:	C[5]-4:N[6]-3:C-3:	C[6]-4:C[6]-4:C-3:	C-3:H-1:H-1:	C(C[5]C[5]2Zr)(N[6]C[6]2)(CHH)	N[6](C[6]C[6]HH)2(CC[5]C)	C(CC[5]N[6])(H)2	C(C[5]C[5]2Zr)(N[6]C[6]2)(CHH)	N[6](C[6]C[6]HH)2(CC[5]C){1|C<4>,4|H<1>}	C(CC[5]N[6])(H)2	125.3465	0.180	2	125.3465	0.033	2	125.3465	0.033	2	125.3465	0.033	2	119.9745	17.530	193	119.9751	17.714	195
930	856	930	0:SP2_SP2_SP3	C	N[6]	C	3:3:2:	4:4:3:	3:2:1:	N[6]-3:C-3:N-2:	C[6]-4:C[6]-4:C-3:	C-3:N-2:H-1:	C(N[6]C[6]2)(CHN)(NO)	N[6](C[6]C[6]HH)2(CCN)	C(CN[6]N)(NO)(H)	C(N[6]C[6]2)(CHN)(NO)	N[6](C[6]C[6]HH)2(CCN){1|C<4>,4|H<1>}	C(CN[6]N)(NO)(H)	118.7985	0.800	2	118.7985	0.640	2	118.7985	0.640	2	118.7985	0.640	2	119.5202	5.654	13	119.5202	5.654	13
930	856	930	0:SP2_SP2_SP3	C	N[6]	C	3:3:2:	4:4:3:	3:4:1:	N[6]-3:C-3:N-2:	C[6]-4:C[6]-4:C-3:	C-3:C-4:O-1:	C(N[6]C[6]2)(CCO)(NN)	N[6](C[6]C[6]HH)2(CCN)	C(CN[6]N)(CH3)(O)	C(N[6]C[6]2)(CCO)(NN)	N[6](C[6]C[6]HH)2(CCN){1|C<4>,4|H<1>}	C(CN[6]N)(CH3)(O)	122.7570	0.000	1	122.7570	0.000	1	122.7570	0.000	1	122.7570	0.000	1	119.5202	5.654	13	119.5202	5.654	13
930	856	930	0:SP2_SP2_SP3	C	N[6]	C	3:3:3:	4:4:3:	3:1:1:	C[6a]-3:N[6]-3:C-3:	C[6]-4:C[6]-4:C-3:	C-3:H-1:H-1:	C(C[6a]C[5,6a]C[6a])(N[6]C[6]2)(CHH)	N[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CC[6a]C)	C(CC[6a]N[6])(H)2	C(C[6a]C[5,6a]C[6a])(N[6]C[6]2)(CHH)	N[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CC[6a]C){1|C<3>,1|C<4>,3|H<1>}	C(CC[6a]N[6])(H)2	119.2890	0.000	1	119.2890	0.000	1	119.2890	0.000	1	119.2890	0.000	1	119.5202	5.654	13	119.5202	5.654	13
930	856	930	0:SP2_SP2_SP3	C	N[6]	C	3:3:3:	4:4:3:	3:2:1:	N[6]-3:C-3:C-3:	C[6]-4:C[6]-4:C-3:	C-3:O-2:O-1:	C(N[6]C[6]2)(CCH)(COO)	N[6](C[6]C[6,6]C[6a]H)2(CCC)	C(CN[6]C)(OC)(O)	C(N[6]C[6]2)(CCH)(COO)	N[6](C[6]C[6,6]C[6a]H)2(CCC){2|C<4>,2|H<1>,5|C<3>}	C(CN[6]C)(OC)(O)	119.7540	0.000	1	119.7540	0.000	1	119.6567	6.073	3	119.6567	6.073	3	119.5202	5.654	13	119.5202	5.654	13
930	856	930	0:SP2_SP2_SP3	C	N[6]	C	3:3:3:	4:4:3:	3:2:1:	N[6]-3:C-3:C-3:	C[6]-4:C[6]-4:C-3:	C-3:O-2:O-1:	C(N[6]C[6]2)(CCH)(COO)	N[6](C[6]C[6a]C[6]H)2(CCC)	C(CN[6]C)(OC)(O)	C(N[6]C[6]2)(CCH)(COO)	N[6](C[6]C[6a]C[6]H)2(CCC){2|C<4>,2|H<1>,5|C<3>}	C(CN[6]C)(OC)(O)	122.0710	0.000	1	119.6080	12.133	2	119.6567	6.073	3	119.6567	6.073	3	119.5202	5.654	13	119.5202	5.654	13
930	856	930	0:SP2_SP2_SP3	C	N[6]	C	3:3:3:	4:4:3:	3:2:1:	N[6]-3:C-3:C-3:	C[6]-4:C[6]-4:C-3:	C-3:O-2:O-1:	C(N[6]C[6]2)(CCH)(COO)	N[6](C[6]C[6a]C[6]H)2(CCC)	C(CN[6]C)(OC)(O)	C(N[6]C[6]2)(CCH)(COO)	N[6](C[6]C[6a]C[6]H)2(CCC){2|H<1>,7|C<3>}	C(CN[6]C)(OC)(O)	117.1450	0.000	1	119.6080	12.133	2	119.6567	6.073	3	119.6567	6.073	3	119.5202	5.654	13	119.5202	5.654	13
930	856	930	0:SP2_SP2_SP3	C	N[6]	C	3:3:3:	4:4:3:	3:3:1:	N[6]-3:C-3:C-3:	C[6]-4:C[6]-4:C-3:	C-3:C-3:H-1:	C(N[6]C[6]2)(CCH)(CCO)	N[6](C[6]C[6]HH)2(CCC)	C(CN[6]C)(CCH)(H)	C(N[6]C[6]2)(CCH)(CCO)	N[6](C[6]C[6]HH)2(CCC){1|N<3>,4|H<1>}	C(CN[6]C)(CCH)(H)	119.8160	0.000	1	119.8160	0.000	1	119.0090	0.343	4	118.2090	3.457	5	119.5202	5.654	13	119.5202	5.654	13
930	856	930	0:SP2_SP2_SP3	C	N[6]	C	3:3:3:	4:4:3:	3:3:1:	N[6]-3:C-3:C-3:	C[6]-4:C[6]-4:C-3:	C-3:C-3:H-1:	C(N[6]C[6]2)(CCH)(COO)	N[6](C[6]C[6,6]C[6a]H)2(CCC)	C(CN[6]C)(COO)(H)	C(N[6]C[6]2)(CCH)(COO)	N[6](C[6]C[6,6]C[6a]H)2(CCC){2|C<4>,2|H<1>,5|C<3>}	C(CN[6]C)(COO)(H)	119.0560	0.000	1	119.0560	0.000	1	119.0090	0.343	4	118.2090	3.457	5	119.5202	5.654	13	119.5202	5.654	13
930	856	930	0:SP2_SP2_SP3	C	N[6]	C	3:3:3:	4:4:3:	3:3:1:	N[6]-3:C-3:C-3:	C[6]-4:C[6]-4:C-3:	C-3:C-3:H-1:	C(N[6]C[6]2)(CCH)(COO)	N[6](C[6]C[6a]C[6]H)2(CCC)	C(CN[6]C)(COO)(H)	C(N[6]C[6]2)(CCH)(COO)	N[6](C[6]C[6a]C[6]H)2(CCC){2|C<4>,2|H<1>,5|C<3>}	C(CN[6]C)(COO)(H)	118.5060	0.000	1	118.5820	0.012	2	119.0090	0.343	4	118.2090	3.457	5	119.5202	5.654	13	119.5202	5.654	13
930	856	930	0:SP2_SP2_SP3	C	N[6]	C	3:3:3:	4:4:3:	3:3:1:	N[6]-3:C-3:C-3:	C[6]-4:C[6]-4:C-3:	C-3:C-3:H-1:	C(N[6]C[6]2)(CCH)(COO)	N[6](C[6]C[6a]C[6]H)2(CCC)	C(CN[6]C)(COO)(H)	C(N[6]C[6]2)(CCH)(COO)	N[6](C[6]C[6a]C[6]H)2(CCC){2|H<1>,7|C<3>}	C(CN[6]C)(COO)(H)	118.6580	0.000	1	118.5820	0.012	2	119.0090	0.343	4	118.2090	3.457	5	119.5202	5.654	13	119.5202	5.654	13
930	856	930	0:SP2_SP2_SP3	C	N[6]	C	3:3:3:	4:4:3:	3:3:1:	N[6]-3:C-3:C-3:	C[6]-4:C[6]-4:C-3:	C-3:C-3:O-1:	C(N[6]C[6]2)(CCH)(CCO)	N[6](C[6]C[6]HH)2(CCC)	C(CN[6]C)(CCH)(O)	C(N[6]C[6]2)(CCH)(CCO)	N[6](C[6]C[6]HH)2(CCC){1|N<3>,4|H<1>}	C(CN[6]C)(CCH)(O)	115.0090	0.000	1	115.0090	0.000	1	115.0090	0.000	1	118.2090	3.457	5	119.5202	5.654	13	119.5202	5.654	13
930	856	930	0:SP2_SP2_SP3	C	N[6]	C	3:3:4:	4:4:3:	3:3:1:	N[6]-3:C-3:C-4:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C-3:H-1:	C(N[6]C[6]2)(CC[6a]H)(CF3)	N[6](C[6]C[6]HH)2(CCC)	C(C[6a]C[6a]2)(CN[6]C)(H)	C(N[6]C[6]2)(CC[6a]H)(CF3)	N[6](C[6]C[6]HH)2(CCC){1|N<3>,4|H<1>}	C(C[6a]C[6a]2)(CN[6]C)(H)	124.1040	0.000	1	124.1040	0.000	1	124.1040	0.000	1	124.1040	0.000	1	119.5202	5.654	13	119.5202	5.654	13
930	856	940	0:SP2_SP-NON_SP2	C	N[6]	P	3:2:2:	4:4:3:	3:3:	N[6]-3:N-2:P-2:	C[6]-4:C[6]-4:C-3:	C-3:C-3:	C(N[6]C[6]2)(NP)(PC)	N[6](C[6]C[6]HH)2(CNP)	P(CN[6]N)(CSi2)	C(N[6]C[6]2)(NP)(PC)	N[6](C[6]C[6]HH)2(CNP){1|C<4>,4|H<1>}	P(CN[6]N)(CSi2)	119.3830	0.000	1	119.3830	0.000	1	119.3830	0.000	1	119.3830	0.000	1	119.3830	0.000	1	119.3830	0.000	1
930	856	941	0:SP2_SP2_SP2	C	N[6]	N	3:2:1:	4:4:3:	3:2:	N[6]-3:N-2:O-1:	C[5,6]-4:C[5,6]-4:C-3:	C-3:N-2:	C(N[6]C[5,6]2)(NN)(O)	N[6](C[5,6]C[5,6]N[5]H)2(CNO)	N(CN[6]O)(NN)	C(N[6]C[5,6]2)(NN)(O)	N[6](C[5,6]C[5,6]N[5]H)2(CNO){2|C<4>,2|H<1>,5|N<3>}	N(CN[6]O)(NN)	110.9627	0.545	4	110.9627	0.297	4	110.9627	0.297	4	110.9627	0.297	4	118.3551	10.239	107	118.3551	10.239	107
930	856	941	0:SP2_SP2_SP2	C	N[6]	N	3:2:1:	4:4:3:	3:3:	N[6]-3:N-2:H-1:	C[6]-4:C[6]-4:C-3:	C-3:C-3:	C(N[6]C[6]2)(NC)(H)	N[6](C[6]C[6]HH)2(CHN)	N(CN[6]H)2	C(N[6]C[6]2)(NC)(H)	N[6](C[6]C[6]HH)2(CHN){1|C<4>,4|H<1>}	N(CN[6]H)2	122.4755	0.338	4	122.4755	0.114	4	122.4755	0.114	4	119.1389	21.662	14	118.3551	10.239	107	118.3551	10.239	107
930	856	941	0:SP2_SP2_SP2	C	N[6]	N	3:2:1:	4:4:3:	3:3:	N[6]-3:N-2:H-1:	C[6]-4:C[6]-4:C-3:	C[5a]-3:C-3:	C(N[6]C[6]2)(NC[5a])(H)	N[6](C[6]C[6]HH)2(CHN)	N(C[5a]N[5a]2)(CN[6]H)	C(N[6]C[6]2)(NC[5a])(H)	N[6](C[6]C[6]HH)2(CHN){1|O<2>,4|H<1>}	N(C[5a]N[5a]2)(CN[6]H)	123.2830	0.000	1	123.2830	0.000	1	123.2830	0.000	1	119.1389	21.662	14	118.3551	10.239	107	118.3551	10.239	107
930	856	941	0:SP2_SP2_SP2	C	N[6]	N	3:2:1:	4:4:3:	3:3:	N[6]-3:N-2:H-1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C-3:	C(N[6]C[6]2)(NC[6a])(H)	N[6](C[6]C[6]HH)2(CHN)	N(C[6a]C[6a]2)(CN[6]H)	C(N[6]C[6]2)(NC[6a])(H)	N[6](C[6]C[6]HH)2(CHN){1|O<2>,4|H<1>}	N(C[6a]C[6a]2)(CN[6]H)	123.4647	0.719	3	123.4647	0.518	3	123.4647	0.518	3	119.1389	21.662	14	118.3551	10.239	107	118.3551	10.239	107
930	856	941	0:SP2_SP2_SP2	C	N[6]	N	3:2:1:	4:4:3:	3:3:	N[6]-3:N-2:S-1:	C[6]-4:C[6]-4:C-3:	C-3:N-3:	C(N[6]C[6]2)(NN)(S)	N[6](C[6]C[6]HH)2(CNS)	N(CN[6]S)(NCH)	C(N[6]C[6]2)(NN)(S)	N[6](C[6]C[6]HH)2(CNS){1|C<4>,4|H<1>}	N(CN[6]S)(NCH)	112.8140	0.000	1	113.4595	0.194	4	113.4595	0.194	4	119.1389	21.662	14	118.3551	10.239	107	118.3551	10.239	107
930	856	941	0:SP2_SP2_SP2	C	N[6]	N	3:2:1:	4:4:3:	3:3:	N[6]-3:N-2:S-1:	C[6]-4:C[6]-4:C-3:	C-3:N-3:	C(N[6]C[6]2)(NN)(S)	N[6](C[6]C[6]HH)2(CNS)	N(CN[6]S)(NCH)	C(N[6]C[6]2)(NN)(S)	N[6](C[6]C[6]HH)2(CNS){1|O<2>,4|H<1>}	N(CN[6]S)(NCH)	113.6747	0.114	3	113.4595	0.194	4	113.4595	0.194	4	119.1389	21.662	14	118.3551	10.239	107	118.3551	10.239	107
930	856	941	0:SP2_SP2_SP2	C	N[6]	N	3:2:1:	4:4:3:	3:3:	N[6]-3:N-2:S-1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C-3:	C(N[6]C[6]2)(NC[6a])(S)	N[6](C[6]C[6]HH)2(CNS)	N(C[6a]C[6a]2)(CN[6]S)	C(N[6]C[6]2)(NC[6a])(S)	N[6](C[6]C[6]HH)2(CNS){1|O<2>,4|H<1>}	N(C[6a]C[6a]2)(CN[6]S)	116.4360	0.000	1	116.4360	0.000	1	116.4360	0.000	1	119.1389	21.662	14	118.3551	10.239	107	118.3551	10.239	107
930	856	941	0:SP2_SP2_SP2	C	N[6]	N	3:2:1:	4:4:3:	3:3:	N[6]-3:N-2:Se-1:	C[6]-4:C[6]-4:C-3:	C-3:N-3:	C(N[6]C[6]2)(NN)(Se)	N[6](C[6]C[6]HH)2(CSeN)	N(CN[6]Se)(NCH)	C(N[6]C[6]2)(NN)(Se)	N[6](C[6]C[6]HH)2(CSeN){1|C<4>,4|H<1>}	N(CN[6]Se)(NCH)	114.0910	0.000	1	114.0910	0.000	1	114.0910	0.000	1	119.1389	21.662	14	118.3551	10.239	107	118.3551	10.239	107
930	856	941	0:SP2_SP2_SP2	C	N[6]	N	3:2:2:	3:3:3:	3:4:	N[6]-3:O-2:N-2:	C[6]-3:C[6]-3:C-3:	C-3:C-4:	C(N[6]C[6]2)(OMg)(NC)	N[6](C[6]C[6]H)2(CNO)	N(CN[6]O)(CC3)	C(N[6]C[6]2)(OMg)(NC)	N[6](C[6]C[6]H)2(CNO){3|C<4>}	N(CN[6]O)(CC3)	115.4720	0.000	1	115.4720	0.000	1	115.4720	0.000	1	115.4720	0.000	1	118.3551	10.239	107	118.3551	10.239	107
930	856	941	0:SP2_SP2_SP2	C	N[6]	N	3:2:2:	4:4:3:	3:2:	N[6]-3:N-2:S-2:	C[6]-4:C[6]-4:C-3:	C-3:C-2:	C(N[6]C[6]2)(NC)(SC)	N[6](C[6]C[6]HH)2(CNS)	N(CN[6]S)(CN)	C(N[6]C[6]2)(NC)(SC)	N[6](C[6]C[6]HH)2(CNS){1|N<3>,4|H<1>}	N(CN[6]S)(CN)	118.6910	0.000	1	118.6910	0.000	1	118.6910	0.000	1	118.6910	0.000	1	118.3551	10.239	107	118.3551	10.239	107
930	856	941	0:SP2_SP2_SP2	C	N[6]	N	3:2:2:	4:4:3:	3:3:	N[6]-3:N-2:N-2:	C[6]-4:C[6]-4:C-3:	C-3:C-3:	C(N[6]C[6]2)(NCu)(NC)	N[6](C[6]C[6]HH)2(CNN)	N(CN[6]N)(CNN)	C(N[6]C[6]2)(NCu)(NC)	N[6](C[6]C[6]HH)2(CNN){1|O<2>,4|H<1>}	N(CN[6]N)(CNN)	113.6780	0.000	1	113.6780	0.000	1	113.6780	0.000	1	115.9148	2.150	9	118.3551	10.239	107	118.3551	10.239	107
930	856	941	0:SP2_SP2_SP2	C	N[6]	N	3:2:2:	4:4:3:	3:3:	N[6]-3:O-2:N-2:	C[6]-4:C[6]-4:C-3:	C-3:C-3:	C(N[6]C[6]2)(OPt)(NC)	N[6](C[6]C[6]HH)2(CNO)	N(CN[6]N)(CN[6]O)	C(N[6]C[6]2)(OPt)(NC)	N[6](C[6]C[6]HH)2(CNO){1|O<2>,4|H<1>}	N(CN[6]N)(CN[6]O)	116.2880	0.000	1	116.2880	0.000	1	116.2880	0.000	1	115.9148	2.150	9	118.3551	10.239	107	118.3551	10.239	107
930	856	941	0:SP2_SP2_SP2	C	N[6]	N	3:2:2:	4:4:3:	3:3:	N[6]-3:S-2:N-2:	C[6]-4:C[6]-4:C-3:	C-3:C-3:	C(N[6]C[6]2)(SPt)(NC)	N[6](C[6]C[6]HH)2(CNS)	N(CN[6]S)(CCO)	C(N[6]C[6]2)(SPt)(NC)	N[6](C[6]C[6]HH)2(CNS){1|C<4>,4|H<1>}	N(CN[6]S)(CCO)	114.8625	1.135	2	114.8625	1.288	2	115.5847	2.591	4	115.9148	2.150	9	118.3551	10.239	107	118.3551	10.239	107
930	856	941	0:SP2_SP2_SP2	C	N[6]	N	3:2:2:	4:4:3:	3:3:	N[6]-3:S-2:N-2:	C[6]-4:C[6]-4:C-3:	C-3:C-3:	C(N[6]C[6]2)(SPt)(NC)	N[6](C[6]C[6]HH)2(CNS)	N(CN[6]S)(COO)	C(N[6]C[6]2)(SPt)(NC)	N[6](C[6]C[6]HH)2(CNS){1|O<2>,4|H<1>}	N(CN[6]S)(COO)	114.8240	0.000	1	114.8240	0.000	1	115.5847	2.591	4	115.9148	2.150	9	118.3551	10.239	107	118.3551	10.239	107
930	856	941	0:SP2_SP2_SP2	C	N[6]	N	3:2:2:	4:4:3:	3:3:	N[6]-3:S-2:N-2:	C[6]-4:C[6]-4:C-3:	C-3:C-3:	C(N[6]C[6]2)(SRe)(NC)	N[6](C[6]C[6]HH)2(CNS)	N(CC[6a]O)(CN[6]S)	C(N[6]C[6]2)(SRe)(NC)	N[6](C[6]C[6]HH)2(CNS){1|O<2>,4|H<1>}	N(CC[6a]O)(CN[6]S)	117.7900	0.000	1	117.7900	0.000	1	115.5847	2.591	4	115.9148	2.150	9	118.3551	10.239	107	118.3551	10.239	107
930	856	941	0:SP2_SP2_SP2	C	N[6]	N	3:2:2:	4:4:3:	3:3:	N[6]-3:S-2:N-2:	C[6]-4:C[6]-4:C-3:	C-3:N-3:	C(N[6]C[6]2)(SCr)(NN)	N[6](C[6]C[6]HH)2(CNS)	N(CN[6]S)(NCrC)	C(N[6]C[6]2)(SCr)(NN)	N[6](C[6]C[6]HH)2(CNS){1|O<2>,4|H<1>}	N(CN[6]S)(NCrC)	116.6980	0.096	2	116.6980	0.009	2	116.9760	0.236	3	115.9148	2.150	9	118.3551	10.239	107	118.3551	10.239	107
930	856	941	0:SP2_SP2_SP2	C	N[6]	N	3:2:2:	4:4:3:	3:3:	N[6]-3:S-2:N-2:	C[6]-4:C[6]-4:C-3:	C-3:N-3:	C(N[6]C[6]2)(SFe)(NN)	N[6](C[6]C[6]HH)2(CNS)	N(CN[6]S)(NFeC)	C(N[6]C[6]2)(SFe)(NN)	N[6](C[6]C[6]HH)2(CNS){1|O<2>,4|H<1>}	N(CN[6]S)(NFeC)	117.5320	0.000	1	117.5320	0.000	1	116.9760	0.236	3	115.9148	2.150	9	118.3551	10.239	107	118.3551	10.239	107
930	856	941	0:SP2_SP2_SP2	C	N[6]	N	3:2:2:	4:4:3:	3:4:	N[6]-3:N-2:P-2:	C[6]-4:C[6]-4:C-3:	C-3:P-4:	C(N[6]C[6]2)(NP)(PC)	N[6](C[6]C[6]HH)2(CNP)	N(CN[6]P)(PClCW)	C(N[6]C[6]2)(NP)(PC)	N[6](C[6]C[6]HH)2(CNP){1|C<4>,4|H<1>}	N(CN[6]P)(PClCW)	121.0850	0.000	1	121.0850	0.000	1	121.0850	0.000	1	117.8480	5.084	4	118.3551	10.239	107	118.3551	10.239	107
930	856	941	0:SP2_SP2_SP2	C	N[6]	N	3:2:2:	4:4:3:	3:4:	N[6]-3:S-2:N-2:	C[6]-4:C[6]-4:C-3:	C-3:P-4:	C(N[6]C[6]2)(SCu)(NP)	N[6](C[6]C[6]HH)2(CNS)	N(CN[6]S)(POOS)	C(N[6]C[6]2)(SCu)(NP)	N[6](C[6]C[6]HH)2(CNS){1|C<4>,4|H<1>}	N(CN[6]S)(POOS)	115.9340	0.000	1	115.9340	0.000	1	116.7690	0.640	3	117.8480	5.084	4	118.3551	10.239	107	118.3551	10.239	107
930	856	941	0:SP2_SP2_SP2	C	N[6]	N	3:2:2:	4:4:3:	3:4:	N[6]-3:S-2:N-2:	C[6]-4:C[6]-4:C-3:	C-3:P-4:	C(N[6]C[6]2)(SZn)(NP)	N[6](C[6]C[6]HH)2(CNS)	N(CN[6]S)(PCCO)	C(N[6]C[6]2)(SZn)(NP)	N[6](C[6]C[6]HH)2(CNS){1|C<4>,4|H<1>}	N(CN[6]S)(PCCO)	117.1865	0.484	2	117.1865	0.235	2	116.7690	0.640	3	117.8480	5.084	4	118.3551	10.239	107	118.3551	10.239	107
930	856	941	0:SP2_SP2_SP2	C	N[6]	N	3:2:4:	3:3:3:	3:3:	N[6]-3:N-2:C-4:	C[6]-3:C[6]-3:C-3:	C[6a]-3:C-3:	C(N[6]C[6]2)(NC[6a])(CC3)	N[6](C[6]C[6]H)2(CCN)	N(C[6a]C[6a]2)(CN[6]C)	C(N[6]C[6]2)(NC[6a])(CC3)	N[6](C[6]C[6]H)2(CCN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CN[6]C)	121.2880	0.000	1	121.2880	0.000	1	121.2880	0.000	1	121.2880	0.000	1	118.3551	10.239	107	118.3551	10.239	107
930	856	941	0:SP2_SP2_SP2	C	N[6]	N	3:2:4:	4:4:3:	3:3:	N[6]-3:N-2:C-4:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C-3:	C(N[6]C[6]2)(NC[6a])(CCHH)	N[6](C[6]C[6]HH)2(CCN)	N(C[6a]C[6a]2)(CN[6]C)	C(N[6]C[6]2)(NC[6a])(CCHH)	N[6](C[6]C[6]HH)2(CCN){1|O<2>,4|H<1>}	N(C[6a]C[6a]2)(CN[6]C)	119.2360	0.000	1	119.2360	0.000	1	119.2360	0.000	1	119.2360	0.000	1	118.3551	10.239	107	118.3551	10.239	107
930	856	941	0:SP2_SP2_SP2	C	N[6]	N	3:3:2:	3:3:3:	3:4:	C[6a]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(NC)	N[6](C[6]C[6]H)2(CC[6a]N)	N(CC[6a]N[6])(CCCH)	C(C[6a]C[6a]2)(N[6]C[6]2)(NC)	N[6](C[6]C[6]H)2(CC[6a]N){1|C<3>,2|H<1>}	N(CC[6a]N[6])(CCCH)	115.6400	0.000	1	115.6400	0.000	1	115.6400	0.000	1	115.6400	0.000	1	118.3551	10.239	107	118.3551	10.239	107
930	856	941	0:SP2_SP2_SP2	C	N[6]	N	3:3:2:	4:3:3:	3:4:	C[6a]-3:N[6]-3:N-2:	C[6]-4:C[6]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(NC)	N[6](C[6]C[6]CH)(C[6]C[6]H)(CC[6a]N)	N(CC[6a]N[6])(CCCH)	C(C[6a]C[6a]2)(N[6]C[6]2)(NC)	N[6](C[6]C[6]CH)(C[6]C[6]H)(CC[6a]N){1|C<3>,1|I<1>,2|H<1>}	N(CC[6a]N[6])(CCCH)	115.9770	0.368	2	116.4070	0.622	3	116.4070	0.622	3	116.4070	0.622	3	118.3551	10.239	107	118.3551	10.239	107
930	856	941	0:SP2_SP2_SP2	C	N[6]	N	3:3:2:	4:3:3:	3:4:	C[6a]-3:N[6]-3:N-2:	C[6]-4:C[6]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(NC)	N[6](C[6]C[6]CH)(C[6]C[6]H)(CC[6a]N)	N(CC[6a]N[6])(CCCH)	C(C[6a]C[6a]2)(N[6]C[6]2)(NC)	N[6](C[6]C[6]CH)(C[6]C[6]H)(CC[6a]N){1|C<3>,3|H<1>}	N(CC[6a]N[6])(CCCH)	117.2670	0.000	1	116.4070	0.622	3	116.4070	0.622	3	116.4070	0.622	3	118.3551	10.239	107	118.3551	10.239	107
930	856	941	0:SP2_SP2_SP2	C	N[6]	N	3:3:2:	4:4:3:	3:1:	N[6]-3:C-3:N-2:	C[6]-4:C[6]-4:C-3:	C-3:H-1:	C(N[6]C[6]2)(CCH)(NH)	N[6](C[6]C[6]HH)2(CCN)	N(CN[6]C)(H)	C(N[6]C[6]2)(CCH)(NH)	N[6](C[6]C[6]HH)2(CCN){1|C<4>,4|H<1>}	N(CN[6]C)(H)	124.2280	0.000	1	124.2280	0.000	1	124.2280	0.000	1	121.6525	13.266	2	118.3551	10.239	107	118.3551	10.239	107
930	856	941	0:SP2_SP2_SP2	C	N[6]	N	3:3:2:	4:4:3:	3:1:	N[6]-3:N-3:N-2:	C[6]-4:C[6]-4:C-3:	C-3:H-1:	C(N[6]C[6]2)(NHH)(NH)	N[6](C[6]C[6]HH)2(CNN)	N(CN[6]N)(H)	C(N[6]C[6]2)(NHH)(NH)	N[6](C[6]C[6]HH)2(CNN){1|C<4>,4|H<1>}	N(CN[6]N)(H)	119.0770	0.000	1	119.0770	0.000	1	119.0770	0.000	1	121.6525	13.266	2	118.3551	10.239	107	118.3551	10.239	107
930	856	941	0:SP2_SP2_SP2	C	N[6]	N	3:3:2:	4:4:3:	3:2:	C[6a]-3:N[6]-3:N-2:	C[6]-4:C[6]-4:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(N[6]C[6]2)(NO)	N[6](C[6]C[6]HH)2(CC[6a]N)	N(CC[6a]N[6])(OH)	C(C[6a]C[6a]2)(N[6]C[6]2)(NO)	N[6](C[6]C[6]HH)2(CC[6a]N){1|O<2>,4|H<1>}	N(CC[6a]N[6])(OH)	121.7575	6.293	2	121.7575	39.596	2	121.7575	39.596	2	121.7575	39.596	2	118.3551	10.239	107	118.3551	10.239	107
930	856	941	0:SP2_SP2_SP2	C	N[6]	N	3:3:2:	4:4:3:	3:3:	C[5a]-3:N[6]-3:N-2:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C-3:	C(C[5a]C[5a]2)(N[6]C[6]2)(NC[6a])	N[6](C[6]C[6]HH)2(CC[5a]N)	N(C[6a]C[6a]2)(CC[5a]N[6])	C(C[5a]C[5a]2)(N[6]C[6]2)(NC[6a])	N[6](C[6]C[6]HH)2(CC[5a]N){1|N<3>,4|H<1>}	N(C[6a]C[6a]2)(CC[5a]N[6])	118.4713	0.484	21	118.2812	0.566	29	118.2812	0.566	29	118.2751	1.520	47	118.3551	10.239	107	118.3551	10.239	107
930	856	941	0:SP2_SP2_SP2	C	N[6]	N	3:3:2:	4:4:3:	3:3:	C[5a]-3:N[6]-3:N-2:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C-3:	C(C[5a]C[5a]2)(N[6]C[6]2)(NC[6a])	N[6](C[6]C[6]HH)2(CC[5a]N)	N(C[6a]C[6a]2)(CC[5a]N[6])	C(C[5a]C[5a]2)(N[6]C[6]2)(NC[6a])	N[6](C[6]C[6]HH)2(CC[5a]N){1|N<4>,4|H<1>}	N(C[6a]C[6a]2)(CC[5a]N[6])	117.7821	1.097	8	118.2812	0.566	29	118.2812	0.566	29	118.2751	1.520	47	118.3551	10.239	107	118.3551	10.239	107
930	856	941	0:SP2_SP2_SP2	C	N[6]	N	3:3:2:	4:4:3:	3:3:	C[6a]-3:N[6]-3:N-2:	C[6]-4:C[6]-4:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(NC)	N[6](C[6]C[6]HH)2(CC[6a]N)	N(CC[6a]N[6])(COO)	C(C[6a]C[6a]2)(N[6]C[6]2)(NC)	N[6](C[6]C[6]HH)2(CC[6a]N){1|O<2>,4|H<1>}	N(CC[6a]N[6])(COO)	119.2690	0.000	1	119.2690	0.000	1	119.2690	0.000	1	118.2751	1.520	47	118.3551	10.239	107	118.3551	10.239	107
930	856	941	0:SP2_SP2_SP2	C	N[6]	N	3:3:2:	4:4:3:	3:3:	C[6a]-3:N[6]-3:N-2:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(NC[6a])	N[6](C[6]C[6]HH)2(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]N[6])	C(C[6a]C[6a]2)(N[6]C[6]2)(NC[6a])	N[6](C[6]C[6]HH)2(CC[6a]N){1|N<3>,4|H<1>}	N(C[6a]C[6a]2)(CC[6a]N[6])	118.4265	1.007	4	118.0373	0.522	11	118.0373	0.522	11	118.2751	1.520	47	118.3551	10.239	107	118.3551	10.239	107
930	856	941	0:SP2_SP2_SP2	C	N[6]	N	3:3:2:	4:4:3:	3:3:	C[6a]-3:N[6]-3:N-2:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(NC[6a])	N[6](C[6]C[6]HH)2(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]N[6])	C(C[6a]C[6a]2)(N[6]C[6]2)(NC[6a])	N[6](C[6]C[6]HH)2(CC[6a]N){1|N<4>,4|H<1>}	N(C[6a]C[6a]2)(CC[6a]N[6])	117.8149	0.452	7	118.0373	0.522	11	118.0373	0.522	11	118.2751	1.520	47	118.3551	10.239	107	118.3551	10.239	107
930	856	941	0:SP2_SP2_SP2	C	N[6]	N	3:3:2:	4:4:3:	3:3:	N[6]-3:N-3:N-2:	C[6]-4:C[6]-4:C-3:	C-3:C-3:	C(N[6]C[6]2)(NHH)(NC)	N[6](C[6]C[6]HH)2(CNN)	N(CN[6]N)(CNN)	C(N[6]C[6]2)(NHH)(NC)	N[6](C[6]C[6]HH)2(CNN){1|C<4>,4|H<1>}	N(CN[6]N)(CNN)	115.6850	0.000	1	116.8185	2.570	2	116.0180	3.207	3	118.2751	1.520	47	118.3551	10.239	107	118.3551	10.239	107
930	856	941	0:SP2_SP2_SP2	C	N[6]	N	3:3:2:	4:4:3:	3:3:	N[6]-3:N-3:N-2:	C[6]-4:C[6]-4:C-3:	C-3:C-3:	C(N[6]C[6]2)(NHH)(NC)	N[6](C[6]C[6]HH)2(CNN)	N(CN[6]N)(CNN)	C(N[6]C[6]2)(NHH)(NC)	N[6](C[6]C[6]HH)2(CNN){1|O<2>,4|H<1>}	N(CN[6]N)(CNN)	117.9520	0.000	1	116.8185	2.570	2	116.0180	3.207	3	118.2751	1.520	47	118.3551	10.239	107	118.3551	10.239	107
930	856	941	0:SP2_SP2_SP2	C	N[6]	N	3:3:2:	4:4:3:	3:3:	N[6]-3:N-3:N-2:	C[6]-4:C[6]-4:C-3:	C-3:C-3:	C(N[6]C[6]2)(NPtH)(NC)	N[6](C[6]C[6]HH)2(CNN)	N(CN[6]N)(CN[6]O)	C(N[6]C[6]2)(NPtH)(NC)	N[6](C[6]C[6]HH)2(CNN){1|O<2>,4|H<1>}	N(CN[6]N)(CN[6]O)	114.4170	0.000	1	114.4170	0.000	1	116.0180	3.207	3	118.2751	1.520	47	118.3551	10.239	107	118.3551	10.239	107
930	856	941	0:SP2_SP2_SP2	C	N[6]	N	3:3:2:	4:4:3:	3:3:	N[6]-3:N-3:N-2:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C-3:	C(N[6]C[6]2)(NC[6a]C)(NC[6a])	N[6](C[6]C[6]HH)2(CNN)	N(C[6a]C[6a]2)(CN[6]N)	C(N[6]C[6]2)(NC[6a]C)(NC[6a])	N[6](C[6]C[6]HH)2(CNN){1|C<4>,4|H<1>}	N(C[6a]C[6a]2)(CN[6]N)	122.2970	0.000	1	122.2970	0.000	1	121.0140	1.513	3	118.2751	1.520	47	118.3551	10.239	107	118.3551	10.239	107
930	856	941	0:SP2_SP2_SP2	C	N[6]	N	3:3:2:	4:4:3:	3:3:	N[6]-3:N-3:N-2:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C-3:	C(N[6]C[6]2)(NC[6a]H)(NC[6a])	N[6](C[6]C[6]CH)2(CNN)	N(C[6a]C[6a]2)(CN[6]N)	C(N[6]C[6]2)(NC[6a]H)(NC[6a])	N[6](C[6]C[6]CH)2(CNN){1|C<4>,4|H<1>}	N(C[6a]C[6a]2)(CN[6]N)	120.9000	0.000	1	120.9000	0.000	1	121.0140	1.513	3	118.2751	1.520	47	118.3551	10.239	107	118.3551	10.239	107
930	856	941	0:SP2_SP2_SP2	C	N[6]	N	3:3:2:	4:4:3:	3:3:	N[6]-3:N-3:N-2:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C-3:	C(N[6]C[6]2)(NC[6a]H)(NC[6a])	N[6](C[6]C[6]HH)2(CNN)	N(C[6a]C[6a]2)(CN[6]N)	C(N[6]C[6]2)(NC[6a]H)(NC[6a])	N[6](C[6]C[6]HH)2(CNN){1|N<3>,4|H<1>}	N(C[6a]C[6a]2)(CN[6]N)	119.8450	0.000	1	119.8450	0.000	1	121.0140	1.513	3	118.2751	1.520	47	118.3551	10.239	107	118.3551	10.239	107
930	856	941	0:SP2_SP2_SP2	C	N[6]	N	3:3:2:	4:4:3:	3:4:	C[5a]-3:N[6]-3:N-2:	C[6]-4:C[6]-4:C-3:	C-3:S-4:	C(C[5a]C[5a]N[5a])(N[6]C[6]2)(NS)	N[6](C[6]C[6]HH)2(CC[5a]N)	N(CC[5a]N[6])(SC[6a]OO)	C(C[5a]C[5a]N[5a])(N[6]C[6]2)(NS)	N[6](C[6]C[6]HH)2(CC[5a]N){1|O<2>,4|H<1>}	N(CC[5a]N[6])(SC[6a]OO)	118.6650	0.000	1	118.6650	0.000	1	118.6650	0.000	1	121.3686	18.777	5	118.3551	10.239	107	118.3551	10.239	107
930	856	941	0:SP2_SP2_SP2	C	N[6]	N	3:3:2:	4:4:3:	3:4:	N[6]-3:N-3:N-2:	C[6]-4:C[6]-4:C-3:	C-3:P-4:	C(N[6]C[6]2)(NC[6a]Co)(NP)	N[6](C[6]C[6]HH)2(CNN)	N(CN[6]N)(PCoCC)	C(N[6]C[6]2)(NC[6a]Co)(NP)	N[6](C[6]C[6]HH)2(CNN){1|C<4>,4|H<1>}	N(CN[6]N)(PCoCC)	116.3160	0.000	1	116.3160	0.000	1	116.3160	0.000	1	121.3686	18.777	5	118.3551	10.239	107	118.3551	10.239	107
930	856	941	0:SP2_SP2_SP2	C	N[6]	N	3:3:2:	4:4:3:	3:4:	N[6]-3:N[6]-3:N-2:	C[6]-4:C[6]-4:C-3:	C-3:C-4:	C(N[6]C[6]2)2(NC)	N[6](C[6]C[6]HH)2(CN[6]N)	N(CN[6]2)(CCHH)	C(N[6]C[6]2)2(NC)	N[6](C[6]C[6]HH)2(CN[6]N){1|C<4>,4|H<1>}	N(CN[6]2)(CCHH)	123.9540	3.333	3	123.9540	11.108	3	123.9540	11.108	3	121.3686	18.777	5	118.3551	10.239	107	118.3551	10.239	107
930	856	941	0:SP2_SP2_SP2	C	N[6]	N	3:3:2:	4:4:3:	4:3:	N[6]-3:C-3:N-2:	C[6]-4:C[6]-4:C-3:	S-4:C-3:	C(N[6]C[6]2)(CCH)(NS)	N[6](C[6]C[6]HH)2(CCN)	N(SC[6a]OO)(CN[6]C)	C(N[6]C[6]2)(CCH)(NS)	N[6](C[6]C[6]HH)2(CCN){1|O<2>,4|H<1>}	N(SC[6a]OO)(CN[6]C)	117.0010	0.509	2	117.0010	0.259	2	117.0010	0.259	2	120.6258	12.547	9	118.3551	10.239	107	118.3551	10.239	107
930	856	941	0:SP2_SP2_SP2	C	N[6]	N	3:3:2:	4:4:3:	4:3:	N[6]-3:N-3:N-2:	C[6]-4:C[6]-4:C-3:	C[6]-4:C-3:	C(N[6]C[6]2)(NC[6]H)(NC[6])	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CNN)	N(C[6]C[6]2H)(CN[6]N)	C(N[6]C[6]2)(NC[6]H)(NC[6])	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CNN){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CN[6]N)	119.8363	0.565	4	119.8363	0.319	4	119.7330	0.293	5	120.6258	12.547	9	118.3551	10.239	107	118.3551	10.239	107
930	856	941	0:SP2_SP2_SP2	C	N[6]	N	3:3:2:	4:4:3:	4:3:	N[6]-3:N-3:N-2:	C[6]-4:C[6]-4:C-3:	C[6]-4:C-3:	C(N[6]C[6]2)(NC[6]P)(NC[6])	N[6](C[6]C[6]HH)2(CNN)	N(C[6]C[6]2H)(CN[6]N)	C(N[6]C[6]2)(NC[6]P)(NC[6])	N[6](C[6]C[6]HH)2(CNN){1|O<2>,4|H<1>}	N(C[6]C[6]2H)(CN[6]N)	119.3200	0.000	1	119.3200	0.000	1	119.7330	0.293	5	120.6258	12.547	9	118.3551	10.239	107	118.3551	10.239	107
930	856	941	0:SP2_SP2_SP2	C	N[6]	N	3:3:2:	4:4:3:	4:3:	N[6]-3:N[6]-3:N-2:	C[6]-4:C[6]-4:C-3:	C[5]-4:C-3:	C(N[6]C[6]2)2(NC[5])	N[6](C[6]C[6]HH)2(CN[6]N)	N(C[5]C[5]2Fe)(CN[6]2)	C(N[6]C[6]2)2(NC[5])	N[6](C[6]C[6]HH)2(CN[6]N){1|C<4>,4|H<1>}	N(C[5]C[5]2Fe)(CN[6]2)	126.4825	0.276	2	126.4825	0.076	2	126.4825	0.076	2	120.6258	12.547	9	118.3551	10.239	107	118.3551	10.239	107
930	856	941	0:SP2_SP2_SP2	C	N[6]	N	3:4:2:	4:4:3:	3:1:	N[6]-3:C-4:N-2:	C[6]-4:C[6]-4:C-3:	C-3:H-1:	C(N[6]C[6]2)(CH3)(NH)	N[6](C[6]C[6]HH)2(CCN)	N(CN[6]C)(H)	C(N[6]C[6]2)(CH3)(NH)	N[6](C[6]C[6]HH)2(CCN){1|C<4>,4|H<1>}	N(CN[6]C)(H)	122.2260	0.000	1	122.2260	0.000	1	122.2260	0.000	1	122.2260	0.000	1	118.3551	10.239	107	118.3551	10.239	107
930	856	941	0:SP2_SP2_SP2	C	N[6]	N	3:4:2:	4:4:3:	3:3:	N[6]-3:C-4:N-2:	C[6]-4:C[6]-4:C-3:	C[5a]-3:C-3:	C(N[6]C[6]2)(CC[6a]HH)(NC[5a])	N[6](C[6]C[6]HH)2(CCN)	N(C[5a]C[5a]N[5a])(CN[6]C)	C(N[6]C[6]2)(CC[6a]HH)(NC[5a])	N[6](C[6]C[6]HH)2(CCN){1|C<4>,4|H<1>}	N(C[5a]C[5a]N[5a])(CN[6]C)	119.0400	0.000	1	119.0400	0.000	1	119.0400	0.000	1	118.7880	0.127	2	118.3551	10.239	107	118.3551	10.239	107
930	856	941	0:SP2_SP2_SP2	C	N[6]	N	3:4:2:	4:4:3:	3:3:	N[6]-3:C-4:N-2:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C-3:	C(N[6]C[6]2)(CC[6a]HH)(NC[6a])	N[6](C[6]C[6]HH)2(CCN)	N(C[6a]C[6a]2)(CN[6]C)	C(N[6]C[6]2)(CC[6a]HH)(NC[6a])	N[6](C[6]C[6]HH)2(CCN){1|O<2>,4|H<1>}	N(C[6a]C[6a]2)(CN[6]C)	118.5360	0.000	1	118.5360	0.000	1	118.5360	0.000	1	118.7880	0.127	2	118.3551	10.239	107	118.3551	10.239	107
930	856	941	0:SP2_SP2_SP3	C	N[6,6]	N	3:2:4:	4:4:3:	3:3:	N[6,6]-3:N-2:C-4:	Ga[6,6]-4:Ga[6,6]-4:C-3:	C[6a]-3:C-3:	C(N[6,6]Ga[6,6]2)(NC[6a])(CH3)	N[6,6](Ga[6,6]N[6]2C)2(CCN)	N(C[6a]C[6a]2)(CN[6,6]C)	C(N[6,6]Ga[6,6]2)(NC[6a])(CH3)	N[6,6](Ga[6,6]N[6]2C)2(CCN){2|H<1>,4|C<3>}	N(C[6a]C[6a]2)(CN[6,6]C)	119.5080	0.000	1	119.5080	0.000	1	119.5080	0.000	1	119.5080	0.000	1	119.5080	0.000	1	118.6649	1.802	62
930	856	941	0:SP2_SP2_SP3	C	N[6]	N	3:2:1:	4:4:3:	3:3:	N[6]-3:N-2:S-1:	C[6]-4:C[6]-4:C-3:	C-3:N-3:	C(N[6]C[6]2)(NN)(S)	N[6](C[6]C[6]HH)2(CNS)	N(CN[6]S)(NCH)	C(N[6]C[6]2)(NN)(S)	N[6](C[6]C[6]HH)2(CNS){1|N<3>,4|H<1>}	N(CN[6]S)(NCH)	115.2510	0.000	1	114.8470	0.326	2	114.8470	0.326	2	114.8470	0.326	2	118.6511	1.820	61	118.6649	1.802	62
930	856	941	0:SP2_SP2_SP3	C	N[6]	N	3:2:1:	4:4:3:	3:3:	N[6]-3:N-2:S-1:	C[6]-4:C[6]-4:C-3:	C-3:N-3:	C(N[6]C[6]2)(NN)(S)	N[6](C[6]C[6]HH)2(CNS)	N(CN[6]S)(NCH)	C(N[6]C[6]2)(NN)(S)	N[6](C[6]C[6]HH)2(CNS){1|O<2>,4|H<1>}	N(CN[6]S)(NCH)	114.4430	0.000	1	114.8470	0.326	2	114.8470	0.326	2	114.8470	0.326	2	118.6511	1.820	61	118.6649	1.802	62
930	856	941	0:SP2_SP2_SP3	C	N[6]	N	3:2:2:	4:4:3:	3:3:	N[6]-3:N-2:N-2:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C-3:	C(N[6]C[6]2)(NC[6a])2	N[6](C[6]C[6]CH)2(CNN)	N(C[6a]C[6a]2)(CN[6]N)	C(N[6]C[6]2)(NC[6a])2	N[6](C[6]C[6]CH)2(CNN){1|C<4>,4|H<1>}	N(C[6a]C[6a]2)(CN[6]N)	118.3860	2.432	4	118.3860	5.917	4	118.3860	5.917	4	118.4365	3.638	6	118.6511	1.820	61	118.6649	1.802	62
930	856	941	0:SP2_SP2_SP3	C	N[6]	N	3:2:2:	4:4:3:	3:3:	N[6]-3:S-2:N-2:	C[6]-4:C[6]-4:C-3:	C-3:N-3:	C(N[6]C[6]2)(SFe)(NN)	N[6](C[6]C[6]HH)2(CNS)	N(CN[6]S)(NFeC)	C(N[6]C[6]2)(SFe)(NN)	N[6](C[6]C[6]HH)2(CNS){1|O<2>,4|H<1>}	N(CN[6]S)(NFeC)	118.0850	0.000	1	118.0850	0.000	1	118.5375	0.410	2	118.4365	3.638	6	118.6511	1.820	61	118.6649	1.802	62
930	856	941	0:SP2_SP2_SP3	C	N[6]	N	3:2:2:	4:4:3:	3:3:	N[6]-3:S-2:N-2:	C[6]-4:C[6]-4:C-3:	C-3:N-3:	C(N[6]C[6]2)(SNi)(NN)	N[6](C[6]C[6]HH)2(CNS)	N(CN[6]S)(NNiC)	C(N[6]C[6]2)(SNi)(NN)	N[6](C[6]C[6]HH)2(CNS){1|C<4>,4|H<1>}	N(CN[6]S)(NNiC)	118.9900	0.000	1	118.9900	0.000	1	118.5375	0.410	2	118.4365	3.638	6	118.6511	1.820	61	118.6649	1.802	62
930	856	941	0:SP2_SP2_SP3	C	N[6]	N	3:3:2:	3:4:3:	3:4:	N[6]-3:C[6a]-3:N-2:	C[5,6]-3:C[6]-4:C-3:	C-3:C-4:	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(NC)	N[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6,6a]HH)(CC[6a]N)	N(CC[6a]N[6])(CH3)	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(NC)	N[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6,6a]HH)(CC[6a]N){1|C<4>,4|C<3>}	N(CC[6a]N[6])(CH3)	118.2910	0.000	1	118.2910	0.000	1	118.2910	0.000	1	118.2910	0.000	1	118.6511	1.820	61	118.6649	1.802	62
930	856	941	0:SP2_SP2_SP3	C	N[6]	N	3:3:2:	4:4:3:	3:1:	N[6]-3:N-3:N-2:	C[6]-4:C[6]-4:C-3:	C-3:H-1:	C(N[6]C[6]2)(NHH)(NH)	N[6](C[6]C[6]HH)2(CNN)	N(CN[6]N)(H)	C(N[6]C[6]2)(NHH)(NH)	N[6](C[6]C[6]HH)2(CNN){1|O<2>,4|H<1>}	N(CN[6]N)(H)	119.6810	0.000	1	119.6810	0.000	1	119.6810	0.000	1	119.6810	0.000	1	118.6511	1.820	61	118.6649	1.802	62
930	856	941	0:SP2_SP2_SP3	C	N[6]	N	3:3:2:	4:4:3:	3:2:	C[6a]-3:N[6]-3:N-2:	C[6]-4:C[6]-4:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(N[6]C[6]2)(NO)	N[6](C[6]C[6]HH)2(CC[6a]N)	N(CC[6a]N[6])(OH)	C(C[6a]C[6a]2)(N[6]C[6]2)(NO)	N[6](C[6]C[6]HH)2(CC[6a]N){1|O<2>,4|H<1>}	N(CC[6a]N[6])(OH)	118.3205	0.698	2	118.3205	0.487	2	118.3205	0.487	2	118.5924	0.363	5	118.6511	1.820	61	118.6649	1.802	62
930	856	941	0:SP2_SP2_SP3	C	N[6]	N	3:3:2:	4:4:3:	3:2:	N[6]-3:C-3:N-2:	C[6]-4:C[6]-4:C-3:	C-3:O-2:	C(N[6]C[6]2)(CHN)(NO)	N[6](C[6]C[6]HH)2(CCN)	N(CN[6]C)(OH)	C(N[6]C[6]2)(CHN)(NO)	N[6](C[6]C[6]HH)2(CCN){1|C<4>,4|H<1>}	N(CN[6]C)(OH)	118.6565	0.798	2	118.6565	0.637	2	118.6565	0.637	2	118.5924	0.363	5	118.6511	1.820	61	118.6649	1.802	62
930	856	941	0:SP2_SP2_SP3	C	N[6]	N	3:3:2:	4:4:3:	3:2:	N[6]-3:N-3:N-2:	C[6]-4:C[6]-4:C-3:	C-3:O-2:	C(N[6]C[6]2)(NHH)(NO)	N[6](C[6]C[6]HH)2(CNN)	N(CN[6]N)(OH)	C(N[6]C[6]2)(NHH)(NO)	N[6](C[6]C[6]HH)2(CNN){1|N<3>,4|H<1>}	N(CN[6]N)(OH)	119.0080	0.000	1	119.0080	0.000	1	119.0080	0.000	1	118.5924	0.363	5	118.6511	1.820	61	118.6649	1.802	62
930	856	941	0:SP2_SP2_SP3	C	N[6]	N	3:3:2:	4:4:3:	3:3:	C[5a]-3:N[6]-3:N-2:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C-3:	C(C[5a]C[5a]2)(N[6]C[6]2)(NC[6a])	N[6](C[6]C[6]HH)2(CC[5a]N)	N(C[6a]C[6a]2)(CC[5a]N[6])	C(C[5a]C[5a]2)(N[6]C[6]2)(NC[6a])	N[6](C[6]C[6]HH)2(CC[5a]N){1|N<3>,4|H<1>}	N(C[6a]C[6a]2)(CC[5a]N[6])	118.3911	0.496	23	118.3836	0.241	25	118.3836	0.241	25	118.7730	1.266	42	118.6511	1.820	61	118.6649	1.802	62
930	856	941	0:SP2_SP2_SP3	C	N[6]	N	3:3:2:	4:4:3:	3:3:	C[5a]-3:N[6]-3:N-2:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C-3:	C(C[5a]C[5a]2)(N[6]C[6]2)(NC[6a])	N[6](C[6]C[6]HH)2(CC[5a]N)	N(C[6a]C[6a]2)(CC[5a]N[6])	C(C[5a]C[5a]2)(N[6]C[6]2)(NC[6a])	N[6](C[6]C[6]HH)2(CC[5a]N){1|N<4>,4|H<1>}	N(C[6a]C[6a]2)(CC[5a]N[6])	118.2980	0.583	2	118.3836	0.241	25	118.3836	0.241	25	118.7730	1.266	42	118.6511	1.820	61	118.6649	1.802	62
930	856	941	0:SP2_SP2_SP3	C	N[6]	N	3:3:2:	4:4:3:	3:3:	C[6a]-3:N[6]-3:N-2:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(NC[6a])	N[6](C[6]C[6]HH)2(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]N[6])	C(C[6a]C[6a]2)(N[6]C[6]2)(NC[6a])	N[6](C[6]C[6]HH)2(CC[6a]N){1|N<3>,4|H<1>}	N(C[6a]C[6a]2)(CC[6a]N[6])	119.2293	0.678	3	118.2478	0.743	9	118.2478	0.743	9	118.7730	1.266	42	118.6511	1.820	61	118.6649	1.802	62
930	856	941	0:SP2_SP2_SP3	C	N[6]	N	3:3:2:	4:4:3:	3:3:	C[6a]-3:N[6]-3:N-2:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(NC[6a])	N[6](C[6]C[6]HH)2(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]N[6])	C(C[6a]C[6a]2)(N[6]C[6]2)(NC[6a])	N[6](C[6]C[6]HH)2(CC[6a]N){1|N<4>,4|H<1>}	N(C[6a]C[6a]2)(CC[6a]N[6])	117.7570	0.371	6	118.2478	0.743	9	118.2478	0.743	9	118.7730	1.266	42	118.6511	1.820	61	118.6649	1.802	62
930	856	941	0:SP2_SP2_SP3	C	N[6]	N	3:3:2:	4:4:3:	3:3:	N[5a]-3:N[6]-3:N-2:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C-3:	C(N[5a]C[5a,6a]C[5a])(N[6]C[6]2)(NC[6a])	N[6](C[6]C[6]HH)2(CN[5a]N)	N(C[6a]C[6a]2)(CN[5a]N[6])	C(N[5a]C[5a,6a]C[5a])(N[6]C[6]2)(NC[6a])	N[6](C[6]C[6]HH)2(CN[5a]N){1|O<2>,4|H<1>}	N(C[6a]C[6a]2)(CN[5a]N[6])	120.5290	0.000	1	120.5290	0.000	1	120.5290	0.000	1	118.7730	1.266	42	118.6511	1.820	61	118.6649	1.802	62
930	856	941	0:SP2_SP2_SP3	C	N[6]	N	3:3:2:	4:4:3:	3:3:	N[6]-3:C-3:N-2:	C[6]-4:C[6]-4:C-3:	N-3:C-3:	C(N[6]C[6]2)(CCO)(NN)	N[6](C[6]C[6]HH)2(CCN)	N(NC[6a]H)(CN[6]C)	C(N[6]C[6]2)(CCO)(NN)	N[6](C[6]C[6]HH)2(CCN){1|C<4>,4|H<1>}	N(NC[6a]H)(CN[6]C)	120.4390	0.000	1	120.4390	0.000	1	120.4390	0.000	1	118.7730	1.266	42	118.6511	1.820	61	118.6649	1.802	62
930	856	941	0:SP2_SP2_SP3	C	N[6]	N	3:3:2:	4:4:3:	3:3:	N[6]-3:N-3:N-2:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C-3:	C(N[6]C[6]2)(NC[6a]C)(NC[6a])	N[6](C[6]C[6]HH)2(CNN)	N(C[6a]C[6a]2)(CN[6]N)	C(N[6]C[6]2)(NC[6a]C)(NC[6a])	N[6](C[6]C[6]HH)2(CNN){1|C<4>,4|H<1>}	N(C[6a]C[6a]2)(CN[6]N)	121.6290	0.000	1	121.4977	1.448	3	120.6125	1.548	6	118.7730	1.266	42	118.6511	1.820	61	118.6649	1.802	62
930	856	941	0:SP2_SP2_SP3	C	N[6]	N	3:3:2:	4:4:3:	3:3:	N[6]-3:N-3:N-2:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C-3:	C(N[6]C[6]2)(NC[6a]C)(NC[6a])	N[6](C[6]C[6]HH)2(CNN)	N(C[6a]C[6a]2)(CN[6]N)	C(N[6]C[6]2)(NC[6a]C)(NC[6a])	N[6](C[6]C[6]HH)2(CNN){1|O<2>,4|H<1>}	N(C[6a]C[6a]2)(CN[6]N)	121.4320	1.694	2	121.4977	1.448	3	120.6125	1.548	6	118.7730	1.266	42	118.6511	1.820	61	118.6649	1.802	62
930	856	941	0:SP2_SP2_SP3	C	N[6]	N	3:3:2:	4:4:3:	3:3:	N[6]-3:N-3:N-2:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C-3:	C(N[6]C[6]2)(NC[6a]H)(NC[6a])	N[6](C[6]C[6]CH)2(CNN)	N(C[6a]C[6a]2)(CN[6]N)	C(N[6]C[6]2)(NC[6a]H)(NC[6a])	N[6](C[6]C[6]CH)2(CNN){1|C<4>,4|H<1>}	N(C[6a]C[6a]2)(CN[6]N)	119.9120	0.000	1	119.9120	0.000	1	120.6125	1.548	6	118.7730	1.266	42	118.6511	1.820	61	118.6649	1.802	62
930	856	941	0:SP2_SP2_SP3	C	N[6]	N	3:3:2:	4:4:3:	3:3:	N[6]-3:N-3:N-2:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C-3:	C(N[6]C[6]2)(NC[6a]H)(NC[6a])	N[6](C[6]C[6]HH)2(CNN)	N(C[6a]C[6a]2)(CN[6]N)	C(N[6]C[6]2)(NC[6a]H)(NC[6a])	N[6](C[6]C[6]HH)2(CNN){1|N<3>,4|H<1>}	N(C[6a]C[6a]2)(CN[6]N)	119.6350	0.298	2	119.6350	0.089	2	120.6125	1.548	6	118.7730	1.266	42	118.6511	1.820	61	118.6649	1.802	62
930	856	941	0:SP2_SP2_SP3	C	N[6]	N	3:3:2:	4:4:3:	3:4:	N[6]-3:N[6]-3:N-2:	C[6]-4:C[6]-4:C-3:	C-3:C-4:	C(N[6]C[6]2)2(NC)	N[6](C[6]C[6]HH)2(CN[6]N)	N(CN[6]2)(CCHH)	C(N[6]C[6]2)2(NC)	N[6](C[6]C[6]HH)2(CN[6]N){1|C<4>,4|H<1>}	N(CN[6]2)(CCHH)	120.1240	0.000	1	120.1240	0.000	1	120.1240	0.000	1	120.1240	0.000	1	118.6511	1.820	61	118.6649	1.802	62
930	856	941	0:SP2_SP2_SP3	C	N[6]	N	3:3:2:	4:4:3:	4:3:	N[6]-3:N-3:N-2:	C[6]-4:C[6]-4:C-3:	C[6]-4:C-3:	C(N[6]C[6]2)(NC[6]H)(NC[6])	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CNN)	N(C[6]C[6]2H)(CN[6]N)	C(N[6]C[6]2)(NC[6]H)(NC[6])	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CNN){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CN[6]N)	120.6710	0.000	1	120.6710	0.000	1	120.6710	0.000	1	119.2940	1.445	3	118.6511	1.820	61	118.6649	1.802	62
930	856	941	0:SP2_SP2_SP3	C	N[6]	N	3:3:2:	4:4:3:	4:3:	N[6]-3:N[6]-3:N-2:	C[6]-4:C[6]-4:C-3:	C[5]-4:C-3:	C(N[6]C[6]2)2(NC[5])	N[6](C[6]C[6]HH)2(CN[6]N)	N(C[5]C[5]2Fe)(CN[6]2)	C(N[6]C[6]2)2(NC[5])	N[6](C[6]C[6]HH)2(CN[6]N){1|C<4>,4|H<1>}	N(C[5]C[5]2Fe)(CN[6]2)	118.6055	0.214	2	118.6055	0.046	2	118.6055	0.046	2	119.2940	1.445	3	118.6511	1.820	61	118.6649	1.802	62
930	856	945	0:SP2_SP2_SP3	C	N[6]	P	3:3:3:	4:4:3:	3:3:3:	N[6]-3:N[6]-3:P-3:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C-3:C-3:	C(N[6]C[6]2)2(PC[6a]C)	N[6](C[6]C[6]HH)2(CN[6]P)	P(C[6a]C[6a]2)(CN[6]2)2	C(N[6]C[6]2)2(PC[6a]C)	N[6](C[6]C[6]HH)2(CN[6]P){1|C<4>,4|H<1>}	P(C[6a]C[6a]2)(CN[6]2)2	118.8535	3.884	4	118.8535	15.085	4	118.8535	15.085	4	118.8535	15.085	4	118.8535	15.085	4	118.8535	15.085	4
930	856	951	0:SP2_SP-NON_SP2	C	N[6,6]	H	3:1:1:	4:4:3:	3:	N[6,6]-3:H-1:O-1:	C[3x6]-4:C[3x6]-4:C-3:	C-3:	C(N[6,6]C[3x6]2)(H)(O)	N[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2H)(CHO)	H(CN[6,6]O)	C(N[6,6]C[3x6]2)(H)(O)	N[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2H)(CHO){1|O<2>,2|C<4>,3|H<1>}	H(CN[6,6]O)	117.7524	0.402	5	117.7524	0.162	5	117.7524	0.162	5	117.7250	0.134	6	117.7250	0.134	6	116.0698	19.464	78
930	856	951	0:SP2_SP-NON_SP2	C	N[6,6]	H	3:1:1:	4:4:3:	3:	N[6,6]-3:H-1:O-1:	C[3x6]-4:C[6,6]-4:C-3:	C-3:	C(N[6,6]C[3x6]C[6,6])(H)(O)	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CHO)	H(CN[6,6]O)	C(N[6,6]C[3x6]C[6,6])(H)(O)	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CHO){1|C<3>,3|C<4>,3|H<1>}	H(CN[6,6]O)	117.5880	0.000	1	117.5880	0.000	1	117.5880	0.000	1	117.7250	0.134	6	117.7250	0.134	6	116.0698	19.464	78
930	856	951	0:SP2_SP-NON_SP2	C	N[6]	H	3:1:1:	3:3:3:	3:	N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:C-3:	C-3:	C(N[6]C[6,6a]C[6])(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CHH)	H(CN[6]H)	C(N[6]C[6,6a]C[6])(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CHH){1|N<2>,2|C<3>,2|H<1>}	H(CN[6]H)	110.3420	0.000	1	110.3420	0.000	1	110.3420	0.000	1	113.7685	23.482	2	115.9318	20.849	72	116.0698	19.464	78
930	856	951	0:SP2_SP-NON_SP2	C	N[6]	H	3:1:1:	3:3:3:	3:	N[6]-3:H-1:O-1:	C[6,6a]-3:C[6,6a]-3:C-3:	C-3:	C(N[6]C[6,6a]2)(H)(O)	N[6](C[6,6a]C[6,6a]C[6a])2(CHO)	H(CN[6]O)	C(N[6]C[6,6a]2)(H)(O)	N[6](C[6,6a]C[6,6a]C[6a])2(CHO){1|S<2>,2|H<1>,4|C<3>}	H(CN[6]O)	117.1950	0.000	1	117.1950	0.000	1	117.1950	0.000	1	113.7685	23.482	2	115.9318	20.849	72	116.0698	19.464	78
930	856	951	0:SP2_SP-NON_SP2	C	N[6]	H	3:1:1:	3:4:3:	3:	N[6]-3:H-1:O-1:	C[6,6a]-3:C[5,6]-4:C-3:	C-3:	C(N[6]C[6,6a]C[5,6])(H)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])(CHO)	H(CN[6]O)	C(N[6]C[6,6a]C[5,6])(H)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])(CHO){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(CN[6]O)	118.1120	0.000	1	118.1120	0.000	1	118.1120	0.000	1	116.0361	2.222	11	115.9318	20.849	72	116.0698	19.464	78
930	856	951	0:SP2_SP-NON_SP2	C	N[6]	H	3:1:1:	3:4:3:	3:	N[6]-3:H-1:O-1:	C[6,6a]-3:C[6]-4:C-3:	C-3:	C(N[6]C[6,6a]C[6])(H)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CHO)	H(CN[6]O)	C(N[6]C[6,6a]C[6])(H)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CHO){1|C<4>,2|C<3>,3|H<1>}	H(CN[6]O)	116.3067	0.162	4	116.3067	0.026	4	115.8163	3.486	6	116.0361	2.222	11	115.9318	20.849	72	116.0698	19.464	78
930	856	951	0:SP2_SP-NON_SP2	C	N[6]	H	3:1:1:	3:4:3:	3:	N[6]-3:H-1:O-1:	C[6,6a]-3:C[6]-4:C-3:	C-3:	C(N[6]C[6,6a]C[6])(H)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CHO)	H(CN[6]O)	C(N[6]C[6,6a]C[6])(H)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CHO){2|H<1>,5|C<3>}	H(CN[6]O)	117.5250	0.000	1	117.5250	0.000	1	115.8163	3.486	6	116.0361	2.222	11	115.9318	20.849	72	116.0698	19.464	78
930	856	951	0:SP2_SP-NON_SP2	C	N[6]	H	3:1:1:	3:4:3:	3:	N[6]-3:H-1:O-1:	C[6,6a]-3:C[6]-4:C-3:	C-3:	C(N[6]C[6,6a]C[6])(H)(O)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]C[6]H)(CHO)	H(CN[6]O)	C(N[6]C[6,6a]C[6])(H)(O)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]C[6]H)(CHO){1|H<1>,5|C<3>}	H(CN[6]O)	112.1460	0.000	1	112.1460	0.000	1	115.8163	3.486	6	116.0361	2.222	11	115.9318	20.849	72	116.0698	19.464	78
930	856	951	0:SP2_SP-NON_SP2	C	N[6]	H	3:1:1:	3:4:3:	3:	N[6]-3:H-1:S-1:	C[6,6a]-3:C[6]-4:C-3:	C-3:	C(N[6]C[6,6a]C[6])(H)(S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CHS)	H(CN[6]S)	C(N[6]C[6,6a]C[6])(H)(S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CHS){1|C<4>,2|C<3>,3|H<1>}	H(CN[6]S)	115.8468	0.122	4	115.8468	0.015	4	115.8468	0.015	4	116.0361	2.222	11	115.9318	20.849	72	116.0698	19.464	78
930	856	951	0:SP2_SP-NON_SP2	C	N[6]	H	3:1:1:	4:4:3:	3:	N[6]-3:H-1:O-1:	C[5,6]-4:C[5,6]-4:C-3:	C-3:	C(N[6]C[5,6]2)(H)(O)	N[6](C[5,6]C[5,6]N[5]H)2(CHO)	H(CN[6]O)	C(N[6]C[5,6]2)(H)(O)	N[6](C[5,6]C[5,6]N[5]H)2(CHO){2|C<4>,2|H<1>,5|N<3>}	H(CN[6]O)	118.2350	0.265	4	118.2350	0.070	4	118.2350	0.070	4	117.1724	36.867	20	115.9318	20.849	72	116.0698	19.464	78
930	856	951	0:SP2_SP-NON_SP2	C	N[6]	H	3:1:1:	4:4:3:	3:	N[6]-3:H-1:O-1:	C[5,6]-4:C[6]-4:C-3:	C-3:	C(N[6]C[5,6]C[6])(H)(O)	N[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6a]HH)(CHO)	H(CN[6]O)	C(N[6]C[5,6]C[6])(H)(O)	N[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6a]HH)(CHO){1|C<4>,1|N<3>,1|O<1>,3|C<3>}	H(CN[6]O)	117.5910	0.000	1	117.5910	0.000	1	117.5910	0.000	1	117.1724	36.867	20	115.9318	20.849	72	116.0698	19.464	78
930	856	951	0:SP2_SP-NON_SP2	C	N[6]	H	3:1:1:	4:4:3:	3:	N[6]-3:H-1:O-1:	C[6,6]-4:C[6]-4:C-3:	C-3:	C(N[6]C[6,6]C[6])(H)(O)	N[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6]HH)(CHO)	H(CN[6]O)	C(N[6]C[6,6]C[6])(H)(O)	N[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6]HH)(CHO){3|C<3>,4|H<1>}	H(CN[6]O)	114.4270	4.057	2	114.4270	16.462	2	114.4270	16.462	2	117.1724	36.867	20	115.9318	20.849	72	116.0698	19.464	78
930	856	951	0:SP2_SP-NON_SP2	C	N[6]	H	3:1:1:	4:4:3:	3:	N[6]-3:H-1:O-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(N[6]C[6]2)(H)(O)	N[6](C[6]C[6]HH)2(CHO)	H(CN[6]O)	C(N[6]C[6]2)(H)(O)	N[6](C[6]C[6]HH)2(CHO){1|N<3>,4|H<1>}	H(CN[6]O)	117.2853	0.012	3	117.2853	0.000	3	117.2355	55.332	13	117.1724	36.867	20	115.9318	20.849	72	116.0698	19.464	78
930	856	951	0:SP2_SP-NON_SP2	C	N[6]	H	3:1:1:	4:4:3:	3:	N[6]-3:H-1:O-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(N[6]C[6]2)(H)(O)	N[6](C[6]C[6]HO)2(CHO)	H(CN[6]O)	C(N[6]C[6]2)(H)(O)	N[6](C[6]C[6]HO)2(CHO){1|N<3>,2|H<1>,2|O<2>}	H(CN[6]O)	118.2060	0.122	2	118.2060	0.015	2	117.2355	55.332	13	117.1724	36.867	20	115.9318	20.849	72	116.0698	19.464	78
930	856	951	0:SP2_SP-NON_SP2	C	N[6]	H	3:1:1:	4:4:3:	3:	N[6]-3:H-1:O-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(N[6]C[6]2)(H)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CHO)	H(CN[6]O)	C(N[6]C[6]2)(H)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CHO){1|N<3>,3|C<3>,3|H<1>}	H(CN[6]O)	111.1920	0.000	1	111.1920	0.000	1	117.2355	55.332	13	117.1724	36.867	20	115.9318	20.849	72	116.0698	19.464	78
930	856	951	0:SP2_SP-NON_SP2	C	N[6]	H	3:1:1:	4:4:3:	3:	N[6]-3:H-1:O-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(N[6]C[6]2)(H)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CHO)	H(CN[6]O)	C(N[6]C[6]2)(H)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CHO){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(CN[6]O)	108.7030	0.000	1	108.7030	0.000	1	117.2355	55.332	13	117.1724	36.867	20	115.9318	20.849	72	116.0698	19.464	78
930	856	951	0:SP2_SP-NON_SP2	C	N[6]	H	3:1:1:	4:4:3:	3:	N[6]-3:H-1:O-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(N[6]C[6]2)(H)(O)	N[6](C[6]C[6a]C[6]H)2(CHO)	H(CN[6]O)	C(N[6]C[6]2)(H)(O)	N[6](C[6]C[6a]C[6]H)2(CHO){1|C<4>,3|H<1>,5|C<3>}	H(CN[6]O)	114.0377	2.621	3	119.3165	105.354	6	117.2355	55.332	13	117.1724	36.867	20	115.9318	20.849	72	116.0698	19.464	78
930	856	951	0:SP2_SP-NON_SP2	C	N[6]	H	3:1:1:	4:4:3:	3:	N[6]-3:H-1:O-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(N[6]C[6]2)(H)(O)	N[6](C[6]C[6a]C[6]H)2(CHO)	H(CN[6]O)	C(N[6]C[6]2)(H)(O)	N[6](C[6]C[6a]C[6]H)2(CHO){2|C<4>,2|H<1>,5|C<3>}	H(CN[6]O)	124.5953	13.150	3	119.3165	105.354	6	117.2355	55.332	13	117.1724	36.867	20	115.9318	20.849	72	116.0698	19.464	78
930	856	951	0:SP2_SP-NON_SP2	C	N[6]	H	3:2:1:	4:4:3:	3:	N[6]-3:N-2:H-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(N[6]C[6]2)(NC)(H)	N[6](C[6]C[6]HH)2(CHN)	H(CN[6]N)	C(N[6]C[6]2)(NC)(H)	N[6](C[6]C[6]HH)2(CHN){1|C<4>,4|H<1>}	H(CN[6]N)	118.7655	0.155	4	118.7655	0.024	4	118.5272	0.113	8	118.5272	0.113	8	115.9318	20.849	72	116.0698	19.464	78
930	856	951	0:SP2_SP-NON_SP2	C	N[6]	H	3:2:1:	4:4:3:	3:	N[6]-3:N-2:H-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(N[6]C[6]2)(NC[5a])(H)	N[6](C[6]C[6]HH)2(CHN)	H(CN[6]N)	C(N[6]C[6]2)(NC[5a])(H)	N[6](C[6]C[6]HH)2(CHN){1|O<2>,4|H<1>}	H(CN[6]N)	118.3530	0.000	1	118.3530	0.000	1	118.5272	0.113	8	118.5272	0.113	8	115.9318	20.849	72	116.0698	19.464	78
930	856	951	0:SP2_SP-NON_SP2	C	N[6]	H	3:2:1:	4:4:3:	3:	N[6]-3:N-2:H-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(N[6]C[6]2)(NC[6a])(H)	N[6](C[6]C[6]HH)2(CHN)	H(CN[6]N)	C(N[6]C[6]2)(NC[6a])(H)	N[6](C[6]C[6]HH)2(CHN){1|O<2>,4|H<1>}	H(CN[6]N)	118.2677	0.359	3	118.2677	0.129	3	118.5272	0.113	8	118.5272	0.113	8	115.9318	20.849	72	116.0698	19.464	78
930	856	951	0:SP2_SP-NON_SP2	C	N[6]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)	N[6](C[6]C[6]H)2(CC[6a]H)	H(CC[6a]N[6])	C(C[6a]C[6a]2)(N[6]C[6]2)(H)	N[6](C[6]C[6]H)2(CC[6a]H){1|C<3>,2|H<1>}	H(CC[6a]N[6])	105.8210	0.000	1	105.8210	0.000	1	105.8210	0.000	1	113.0682	29.318	8	115.9318	20.849	72	116.0698	19.464	78
930	856	951	0:SP2_SP-NON_SP2	C	N[6]	H	3:3:1:	3:3:3:	3:	N[6]-3:C-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-3:	C-3:	C(N[6]C[6,6a]2)(CCH)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCH)	H(CN[6]C)	C(N[6]C[6,6a]2)(CCH)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCH){1|S<2>,2|H<1>,4|C<3>}	H(CN[6]C)	115.0910	0.000	1	115.0910	0.000	1	116.7585	5.561	2	113.0682	29.318	8	115.9318	20.849	72	116.0698	19.464	78
930	856	951	0:SP2_SP-NON_SP2	C	N[6]	H	3:3:1:	3:3:3:	3:	N[6]-3:C-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-3:	C-3:	C(N[6]C[6,6a]2)(CC[6a]2)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCH)	H(CN[6]C)	C(N[6]C[6,6a]2)(CC[6a]2)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCH){1|C<4>,2|H<1>,4|C<3>}	H(CN[6]C)	118.4260	0.000	1	118.4260	0.000	1	116.7585	5.561	2	113.0682	29.318	8	115.9318	20.849	72	116.0698	19.464	78
930	856	951	0:SP2_SP-NON_SP2	C	N[6]	H	3:3:1:	3:3:3:	3:	N[6]-3:C-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(N[6]C[6]2)(CC[6a]O)(H)	N[6](C[6]C[6]H)2(CCH)	H(CN[6]C)	C(N[6]C[6]2)(CC[6a]O)(H)	N[6](C[6]C[6]H)2(CCH){1|C<3>,2|H<1>}	H(CN[6]C)	113.5330	0.000	1	113.5330	0.000	1	114.7930	3.175	2	113.0682	29.318	8	115.9318	20.849	72	116.0698	19.464	78
930	856	951	0:SP2_SP-NON_SP2	C	N[6]	H	3:3:1:	3:3:3:	3:	N[6]-3:C-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(N[6]C[6]2)(CC[6a]Ru)(H)	N[6](C[6]C[6]Ru)(C[6]C[6]H)(CCH)	H(CN[6]C)	C(N[6]C[6]2)(CC[6a]Ru)(H)	N[6](C[6]C[6]Ru)(C[6]C[6]H)(CCH){1|C<3>,2|H<1>}	H(CN[6]C)	116.0530	0.000	1	116.0530	0.000	1	114.7930	3.175	2	113.0682	29.318	8	115.9318	20.849	72	116.0698	19.464	78
930	856	951	0:SP2_SP-NON_SP2	C	N[6]	H	3:3:1:	3:3:3:	3:	N[6]-3:C-3:H-1:	C[6]-3:N[6]-3:C-3:	C-3:	C(N[6]C[6]N[6])(CCH)(H)	N[6](C[6]C[6]O)(N[6]C[6]C)(CCH)	H(CN[6]C)	C(N[6]C[6]N[6])(CCH)(H)	N[6](C[6]C[6]O)(N[6]C[6]C)(CCH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(CN[6]C)	117.3170	0.000	1	117.3170	0.000	1	117.3170	0.000	1	113.0682	29.318	8	115.9318	20.849	72	116.0698	19.464	78
930	856	951	0:SP2_SP-NON_SP2	C	N[6]	H	3:3:1:	3:3:3:	3:	N[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(N[6]C[6]2)2(H)	N[6](C[6]C[6]H)2(CN[6]H)	H(CN[6]2)	C(N[6]C[6]2)2(H)	N[6](C[6]C[6]H)2(CN[6]H){1|C<3>,1|H<1>}	H(CN[6]2)	114.7230	0.000	1	109.1525	62.061	2	109.1525	62.061	2	113.0682	29.318	8	115.9318	20.849	72	116.0698	19.464	78
930	856	951	0:SP2_SP-NON_SP2	C	N[6]	H	3:3:1:	3:3:3:	3:	N[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(N[6]C[6]2)2(H)	N[6](C[6]C[6]H)2(CN[6]H)	H(CN[6]2)	C(N[6]C[6]2)2(H)	N[6](C[6]C[6]H)2(CN[6]H){1|C<3>,2|H<1>}	H(CN[6]2)	103.5820	0.000	1	109.1525	62.061	2	109.1525	62.061	2	113.0682	29.318	8	115.9318	20.849	72	116.0698	19.464	78
930	856	951	0:SP2_SP-NON_SP2	C	N[6]	H	3:3:1:	3:4:3:	3:	N[6]-3:C-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C-3:	C(N[6]C[6,6a]C[6])(CCH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCH)	H(CN[6]C)	C(N[6]C[6,6a]C[6])(CCH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCH){1|C<4>,2|C<3>,3|H<1>}	H(CN[6]C)	116.3010	0.000	1	116.3010	0.000	1	116.1015	0.080	2	116.1015	0.080	2	115.9318	20.849	72	116.0698	19.464	78
930	856	951	0:SP2_SP-NON_SP2	C	N[6]	H	3:3:1:	3:4:3:	3:	N[6]-3:C-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C-3:	C(N[6]C[6,6a]C[6])(CCH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(CCH)	H(CN[6]C)	C(N[6]C[6,6a]C[6])(CCH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(CCH){1|C<4>,1|H<1>,4|C<3>}	H(CN[6]C)	115.9020	0.000	1	115.9020	0.000	1	116.1015	0.080	2	116.1015	0.080	2	115.9318	20.849	72	116.0698	19.464	78
930	856	951	0:SP2_SP-NON_SP2	C	N[6]	H	3:3:1:	4:2:3:	3:	C[5a]-3:N[6]-3:H-1:	B[6]-4:N[6]-2:C-3:	C-3:	C(C[5a]C[5a]N[5a])(N[6]B[6]N[6])(H)	N[6](B[6]N[5a,6]FF)(N[6]C[6])(CC[5a]H)	H(CC[5a]N[6])	C(C[5a]C[5a]N[5a])(N[6]B[6]N[6])(H)	N[6](B[6]N[5a,6]FF)(N[6]C[6])(CC[5a]H){1|H<1>,2|C<3>}	H(CC[5a]N[6])	114.6380	0.310	2	114.6380	0.096	2	114.6380	0.096	2	114.6380	0.096	2	115.9318	20.849	72	116.0698	19.464	78
930	856	951	0:SP2_SP-NON_SP2	C	N[6]	H	3:3:1:	4:3:3:	3:	C[5a]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(C[5a]C[5a]O[5a])(N[6]C[6]2)(H)	N[6](C[6]C[6]HH)(C[6]N[6]O)(CC[5a]H)	H(CC[5a]N[6])	C(C[5a]C[5a]O[5a])(N[6]C[6]2)(H)	N[6](C[6]C[6]HH)(C[6]N[6]O)(CC[5a]H){1|C<3>,1|C<4>,2|H<1>}	H(CC[5a]N[6])	116.2160	0.000	1	116.2160	0.000	1	116.2160	0.000	1	117.4217	1.132	3	115.9318	20.849	72	116.0698	19.464	78
930	856	951	0:SP2_SP-NON_SP2	C	N[6]	H	3:3:1:	4:3:3:	3:	N[6]-3:C-3:H-1:	C[6,6]-4:C[6]-3:C-3:	C-3:	C(N[6]C[6,6]C[6])(CC[6a]2)(H)	N[6](C[6,6]N[6,6]C[6]H)(C[6]N[6]O)(CCH)	H(CN[6]C)	C(N[6]C[6,6]C[6])(CC[6a]2)(H)	N[6](C[6,6]N[6,6]C[6]H)(C[6]N[6]O)(CCH){3|C<3>,3|C<4>}	H(CN[6]C)	118.2280	0.000	1	118.2280	0.000	1	118.2280	0.000	1	117.4217	1.132	3	115.9318	20.849	72	116.0698	19.464	78
930	856	951	0:SP2_SP-NON_SP2	C	N[6]	H	3:3:1:	4:3:3:	3:	N[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:	C-3:	C(N[6]C[6]2)(CCC)(H)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CCH)	H(CN[6]C)	C(N[6]C[6]2)(CCC)(H)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CCH){1|H<1>,4|C<3>}	H(CN[6]C)	117.8210	0.000	1	117.8210	0.000	1	117.8210	0.000	1	117.4217	1.132	3	115.9318	20.849	72	116.0698	19.464	78
930	856	951	0:SP2_SP-NON_SP2	C	N[6]	H	3:3:1:	4:4:3:	3:	C[5]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(C[5]C[5,6a]C[5])(N[6]C[6]2)(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(CC[5]H)	H(CC[5]N[6])	C(C[5]C[5,6a]C[5])(N[6]C[6]2)(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(CC[5]H){2|H<1>,4|C<3>}	H(CC[5]N[6])	114.3300	0.000	1	114.3300	0.000	1	114.4605	0.034	2	113.3107	16.331	12	115.9318	20.849	72	116.0698	19.464	78
930	856	951	0:SP2_SP-NON_SP2	C	N[6]	H	3:3:1:	4:4:3:	3:	C[5]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(C[5]C[5]2)(N[6]C[6]2)(H)	N[6](C[6]C[6]HH)2(CC[5]H)	H(CC[5]N[6])	C(C[5]C[5]2)(N[6]C[6]2)(H)	N[6](C[6]C[6]HH)2(CC[5]H){1|C<4>,4|H<1>}	H(CC[5]N[6])	114.5910	0.000	1	114.5910	0.000	1	114.4605	0.034	2	113.3107	16.331	12	115.9318	20.849	72	116.0698	19.464	78
930	856	951	0:SP2_SP-NON_SP2	C	N[6]	H	3:3:1:	4:4:3:	3:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6]O[6])(N[6]C[6]2)(H)	N[6](C[6]C[6]HH)2(CC[6]H)	H(CC[6]N[6])	C(C[6]C[6]O[6])(N[6]C[6]2)(H)	N[6](C[6]C[6]HH)2(CC[6]H){1|C<4>,4|H<1>}	H(CC[6]N[6])	101.5430	0.000	1	101.5430	0.000	1	101.5430	0.000	1	113.3107	16.331	12	115.9318	20.849	72	116.0698	19.464	78
930	856	951	0:SP2_SP-NON_SP2	C	N[6]	H	3:3:1:	4:4:3:	3:	N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(N[6]C[6]2)(CBC)(H)	N[6](C[6]C[6]CC)2(CCH)	H(CN[6]C)	C(N[6]C[6]2)(CBC)(H)	N[6](C[6]C[6]CC)2(CCH){1|C<4>,4|H<1>}	H(CN[6]C)	112.4465	0.211	2	112.4465	0.045	2	114.2061	4.566	7	113.3107	16.331	12	115.9318	20.849	72	116.0698	19.464	78
930	856	951	0:SP2_SP-NON_SP2	C	N[6]	H	3:3:1:	4:4:3:	3:	N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(N[6]C[6]2)(CCH)(H)	N[6](C[6]C[6]HH)2(CCH)	H(CN[6]C)	C(N[6]C[6]2)(CCH)(H)	N[6](C[6]C[6]HH)2(CCH){1|O<2>,4|H<1>}	H(CN[6]C)	113.6945	2.907	2	113.6945	8.450	2	114.2061	4.566	7	113.3107	16.331	12	115.9318	20.849	72	116.0698	19.464	78
930	856	951	0:SP2_SP-NON_SP2	C	N[6]	H	3:3:1:	4:4:3:	3:	N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(N[6]C[6]2)(CCS)(H)	N[6](C[6]C[6]HH)2(CCH)	H(CN[6]C)	C(N[6]C[6]2)(CCS)(H)	N[6](C[6]C[6]HH)2(CCH){1|O<2>,4|H<1>}	H(CN[6]C)	113.8390	0.000	1	113.8390	0.000	1	114.2061	4.566	7	113.3107	16.331	12	115.9318	20.849	72	116.0698	19.464	78
930	856	951	0:SP2_SP-NON_SP2	C	N[6]	H	3:3:1:	4:4:3:	3:	N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(N[6]C[6]2)(CC[6]H)(H)	N[6](C[6]C[6]HH)2(CCH)	H(CN[6]C)	C(N[6]C[6]2)(CC[6]H)(H)	N[6](C[6]C[6]HH)2(CCH){1|C<4>,4|H<1>}	H(CN[6]C)	116.6610	0.000	2	116.6610	0.000	2	114.2061	4.566	7	113.3107	16.331	12	115.9318	20.849	72	116.0698	19.464	78
930	856	951	0:SP2_SP-NON_SP2	C	N[6]	H	3:3:1:	4:4:3:	3:	N[6]-3:N-3:H-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(N[6]C[6]2)(NCC)(H)	N[6](C[6]C[6]HH)2(CHN)	H(CN[6]N)	C(N[6]C[6]2)(NCC)(H)	N[6](C[6]C[6]HH)2(CHN){1|C<4>,4|H<1>}	H(CN[6]N)	114.4880	0.000	1	114.4880	0.000	1	114.4880	0.000	1	113.3107	16.331	12	115.9318	20.849	72	116.0698	19.464	78
930	856	951	0:SP2_SP-NON_SP2	C	N[6]	H	3:3:1:	4:4:3:	3:	N[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(N[6]C[6]2)2(H)	N[6](C[6]C[6]HH)2(CN[6]H)	H(CN[6]2)	C(N[6]C[6]2)2(H)	N[6](C[6]C[6]HH)2(CN[6]H){1|C<4>,4|H<1>}	H(CN[6]2)	115.3330	0.000	1	115.3330	0.000	1	115.3330	0.000	1	113.3107	16.331	12	115.9318	20.849	72	116.0698	19.464	78
930	856	951	0:SP2_SP-NON_SP2	C	N[6]	H	3:4:1:	3:3:3:	3:	N[6]-3:C-4:H-1:	C[6,6a]-3:C[6,6a]-3:C-3:	C-3:	C(N[6]C[6,6a]2)(CH3)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCH)	H(CN[6]C)	C(N[6]C[6,6a]2)(CH3)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCH){1|S<2>,2|H<1>,4|C<3>}	H(CN[6]C)	121.5060	0.000	1	121.5060	0.000	1	121.5060	0.000	1	122.4920	1.944	2	115.9318	20.849	72	116.0698	19.464	78
930	856	951	0:SP2_SP-NON_SP2	C	N[6]	H	3:4:1:	3:3:3:	3:	N[6]-3:C-4:H-1:	C[6]-3:C[6]-3:C-3:	C-3:	C(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[6]H)2(CCH)	H(CN[6]C)	C(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[6]H)2(CCH){1|C<3>,2|H<1>}	H(CN[6]C)	123.4780	0.000	1	123.4780	0.000	1	123.4780	0.000	1	122.4920	1.944	2	115.9318	20.849	72	116.0698	19.464	78
930	856	951	0:SP2_SP-NON_SP2	C	N[6]	H	3:4:1:	4:4:3:	3:	N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(N[6]C[6]2)(CBCH)(H)	N[6](C[6]C[6]CC)2(CCH)	H(CN[6]C)	C(N[6]C[6]2)(CBCH)(H)	N[6](C[6]C[6]CC)2(CCH){1|C<4>,4|H<1>}	H(CN[6]C)	114.1320	0.000	1	114.1320	0.000	1	114.2450	0.026	2	114.2450	0.026	2	115.9318	20.849	72	116.0698	19.464	78
930	856	951	0:SP2_SP-NON_SP2	C	N[6]	H	3:4:1:	4:4:3:	3:	N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(N[6]C[6]2)(CC[5]CH)(H)	N[6](C[6]C[6]CC)2(CCH)	H(CN[6]C)	C(N[6]C[6]2)(CC[5]CH)(H)	N[6](C[6]C[6]CC)2(CCH){1|C<4>,4|H<1>}	H(CN[6]C)	114.3580	0.000	1	114.3580	0.000	1	114.2450	0.026	2	114.2450	0.026	2	115.9318	20.849	72	116.0698	19.464	78
930	856	952	0:SP2_SP2_SP3	C	N[6]	S	3:4:4:	3:3:3:	3:3:1:1:	N[6]-3:S-4:S-4:	C[6]-3:C[6]-3:C-3:	C[6a]-3:C-3:O-1:O-1:	C(N[6]C[6]2)(SC[6a]OO)2	N[6](C[6]C[6]H)2(CSS)	S(C[6a]C[6a]2)(CN[6]S)(O)2	C(N[6]C[6]2)(SC[6a]OO)2	N[6](C[6]C[6]H)2(CSS){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(CN[6]S)(O)2	117.4915	0.500	2	117.4915	0.250	2	117.4915	0.250	2	117.4915	0.250	2	117.4915	0.250	2	117.4915	0.250	2
930	856	956	0:SP2_SP2_SP2	C	N[6,6]	N	3:3:1:	4:3:3:	3:3:1:	N[6,6]-3:N-3:O-1:	C[6,6]-4:N[6,6]-3:C-3:	C[6a]-3:C-3:H-1:	C(N[6,6]C[6,6]N[6,6])(NC[6a]H)(O)	N[6,6](C[6,6]C[6]2H)(N[6,6]C[6]2)(CNO)	N(C[6a]C[6a]2)(CN[6,6]O)(H)	C(N[6,6]C[6,6]N[6,6])(NC[6a]H)(O)	N[6,6](C[6,6]C[6]2H)(N[6,6]C[6]2)(CNO){1|C<3>,1|O<2>,7|H<1>}	N(C[6a]C[6a]2)(CN[6,6]O)(H)	113.7580	0.000	1	113.7580	0.000	1	113.7580	0.000	1	113.7580	0.000	1	122.5409	17.832	7	116.7126	9.636	127
930	856	956	0:SP2_SP2_SP2	C	N[6,6]	N	3:3:3:	4:4:3:	3:4:4:	N[6,6]-3:N-3:N-3:	Ga[5x6]-4:Ga[6,6]-4:C-3:	C-3:C-4:C-4:	C(N[6,6]Ga[5x6]Ga[6,6])(NCC)2	N[6,6](Ga[5x6]N[5x6]N[6x6]H)(Ga[6,6]N[5x6]HH)(CNN)	N(CN[6,6]N)(CH3)2	C(N[6,6]Ga[5x6]Ga[6,6])(NCC)2	N[6,6](Ga[5x6]N[5x6]N[6x6]H)(Ga[6,6]N[5x6]HH)(CNN){4|Ga<4>,1|H<1>,2|C<4>}	N(CN[6,6]N)(CH3)2	124.0047	1.844	6	124.0047	3.399	6	124.0047	3.399	6	124.0047	3.399	6	122.5409	17.832	7	116.7126	9.636	127
930	856	956	0:SP2_SP2_SP2	C	N[6]	N	3:3:1:	3:2:3:	3:3:1:	N[6]-3:N-3:O-1:	C[6]-3:N[6]-2:C-3:	C[6a]-3:C-3:H-1:	C(N[6]C[6]N[6])(NC[6a]H)(O)	N[6](C[6]N[6]C)(N[6]C[6])(CNO)	N(C[6a]C[6a]2)(CN[6]O)(H)	C(N[6]C[6]N[6])(NC[6a]H)(O)	N[6](C[6]N[6]C)(N[6]C[6])(CNO){1|C<3>,1|N<2>}	N(C[6a]C[6a]2)(CN[6]O)(H)	112.7530	0.000	2	113.4098	0.299	6	113.3881	0.237	8	113.3881	0.237	8	116.3727	7.189	120	116.7126	9.636	127
930	856	956	0:SP2_SP2_SP2	C	N[6]	N	3:3:1:	3:2:3:	3:3:1:	N[6]-3:N-3:O-1:	C[6]-3:N[6]-2:C-3:	C[6a]-3:C-3:H-1:	C(N[6]C[6]N[6])(NC[6a]H)(O)	N[6](C[6]N[6]C)(N[6]C[6])(CNO)	N(C[6a]C[6a]2)(CN[6]O)(H)	C(N[6]C[6]N[6])(NC[6a]H)(O)	N[6](C[6]N[6]C)(N[6]C[6])(CNO){1|C<4>,1|N<3>}	N(C[6a]C[6a]2)(CN[6]O)(H)	113.7382	0.259	4	113.4098	0.299	6	113.3881	0.237	8	113.3881	0.237	8	116.3727	7.189	120	116.7126	9.636	127
930	856	956	0:SP2_SP2_SP2	C	N[6]	N	3:3:1:	3:2:3:	3:3:1:	N[6]-3:N-3:O-1:	C[6]-3:N[6]-2:C-3:	C[6a]-3:C-3:H-1:	C(N[6]C[6]N[6])(NC[6a]H)(O)	N[6](C[6]N[6]C)(N[6]C[6])(CNO)	N(C[6a]C[6a]N[6a])(CN[6]O)(H)	C(N[6]C[6]N[6])(NC[6a]H)(O)	N[6](C[6]N[6]C)(N[6]C[6])(CNO){1|C<4>,1|N<3>}	N(C[6a]C[6a]N[6a])(CN[6]O)(H)	113.3230	0.392	2	113.3230	0.153	2	113.3881	0.237	8	113.3881	0.237	8	116.3727	7.189	120	116.7126	9.636	127
930	856	956	0:SP2_SP2_SP2	C	N[6]	N	3:3:1:	3:2:3:	3:4:1:	N[6]-3:N-3:O-1:	C[6]-3:N[6]-2:C-3:	C-3:C-4:H-1:	C(N[6]C[6]N[6])(NCH)(O)	N[6](C[6]N[6]C)(N[6]C[6])(CNO)	N(CN[6]O)(CH3)(H)	C(N[6]C[6]N[6])(NCH)(O)	N[6](C[6]N[6]C)(N[6]C[6])(CNO){1|C<4>,1|N<3>}	N(CN[6]O)(CH3)(H)	114.8568	0.076	4	114.8568	0.006	4	114.8568	0.006	4	114.8568	0.006	4	116.3727	7.189	120	116.7126	9.636	127
930	856	956	0:SP2_SP2_SP2	C	N[6]	N	3:3:1:	3:2:3:	4:3:1:	N[6]-3:N-3:O-1:	C[6]-3:N[6]-2:C-3:	C-4:C-3:H-1:	C(N[6]C[6]N[6])(NCH)(O)	N[6](C[6]C[6a]N[6])(N[6]C[6])(CNO)	N(CC[6a]CH)(CN[6]O)(H)	C(N[6]C[6]N[6])(NCH)(O)	N[6](C[6]C[6a]N[6])(N[6]C[6])(CNO){1|N<3>,3|C<3>}	N(CC[6a]CH)(CN[6]O)(H)	113.3460	0.000	1	113.3460	0.000	1	113.8277	0.390	3	113.8277	0.390	3	116.3727	7.189	120	116.7126	9.636	127
930	856	956	0:SP2_SP2_SP2	C	N[6]	N	3:3:1:	3:2:3:	4:3:1:	N[6]-3:N-3:O-1:	C[6]-3:N[6]-2:C-3:	C-4:C-3:H-1:	C(N[6]C[6]N[6])(NCH)(O)	N[6](C[6]N[6]C)(N[6]C[6])(CNO)	N(CC[6a]CH)(CN[6]O)(H)	C(N[6]C[6]N[6])(NCH)(O)	N[6](C[6]N[6]C)(N[6]C[6])(CNO){1|C<4>,1|N<3>}	N(CC[6a]CH)(CN[6]O)(H)	114.0685	0.657	2	114.0685	0.432	2	113.8277	0.390	3	113.8277	0.390	3	116.3727	7.189	120	116.7126	9.636	127
930	856	956	0:SP2_SP2_SP2	C	N[6]	N	3:3:1:	3:3:3:	3:4:1:	N[6]-3:N-3:O-1:	C[6,6a]-3:C[6,6a]-3:C-3:	C-3:C-4:H-1:	C(N[6]C[6,6a]2)(NCH)(O)	N[6](C[6,6a]C[6,6a]C[6a])2(CNO)	N(CN[6]O)(CCHH)(H)	C(N[6]C[6,6a]2)(NCH)(O)	N[6](C[6,6a]C[6,6a]C[6a])2(CNO){1|S<2>,2|H<1>,4|C<3>}	N(CN[6]O)(CCHH)(H)	116.3460	0.000	1	116.3460	0.000	1	116.3460	0.000	1	116.3460	0.000	1	116.3727	7.189	120	116.7126	9.636	127
930	856	956	0:SP2_SP2_SP2	C	N[6]	N	3:3:1:	3:3:3:	3:4:4:	N[6]-3:N-3:O-1:	C[6,6a]-3:C[6,6a]-3:C-3:	C-3:C-4:C-4:	C(N[6]C[6,6a]2)(NCC)(O)	N[6](C[6,6a]C[6,6a]C[6a])2(CNO)	N(CN[6]O)(CH3)2	C(N[6]C[6,6a]2)(NCC)(O)	N[6](C[6,6a]C[6,6a]C[6a])2(CNO){1|S<2>,2|H<1>,4|C<3>}	N(CN[6]O)(CH3)2	116.0780	0.000	1	116.0780	0.000	1	116.0780	0.000	1	116.0780	0.000	1	116.3727	7.189	120	116.7126	9.636	127
930	856	956	0:SP2_SP2_SP2	C	N[6]	N	3:3:1:	4:2:3:	3:3:1:	N[6]-3:N-3:O-1:	C[6]-4:N[6]-2:C-3:	C[6a]-3:C-3:H-1:	C(N[6]C[6]N[6])(NC[6a]H)(O)	N[6](C[6]C[6]CN)(N[6]C[6])(CNO)	N(C[6a]C[6a]2)(CN[6]O)(H)	C(N[6]C[6]N[6])(NC[6a]H)(O)	N[6](C[6]C[6]CN)(N[6]C[6])(CNO){2|C<4>,2|H<1>}	N(C[6a]C[6a]2)(CN[6]O)(H)	114.8630	0.000	1	114.8630	0.000	1	114.8630	0.000	1	114.8630	0.000	1	116.3727	7.189	120	116.7126	9.636	127
930	856	956	0:SP2_SP2_SP2	C	N[6]	N	3:3:1:	4:3:3:	3:2:1:	N[6]-3:N-3:O-1:	C[6]-4:C[6]-3:C-3:	C-3:O-2:H-1:	C(N[6]C[6]2)(NHO)(O)	N[6](C[6]C[6,6a]HH)(C[6]N[6]O)(CNO)	N(CN[6]O)(OC)(H)	C(N[6]C[6]2)(NHO)(O)	N[6](C[6]C[6,6a]HH)(C[6]N[6]O)(CNO){1|H<1>,2|C<3>}	N(CN[6]O)(OC)(H)	116.6740	0.000	1	116.6740	0.000	1	116.6740	0.000	1	116.6740	0.000	1	116.3727	7.189	120	116.7126	9.636	127
930	856	956	0:SP2_SP2_SP2	C	N[6]	N	3:3:1:	4:3:3:	3:3:1:	N[6]-3:N-3:O-1:	C[6]-4:N[6]-3:C-3:	C[6a]-3:C-3:H-1:	C(N[6]C[6]N[6])(NC[6a]H)(O)	N[6](C[6]C[6]CH)(N[6]C[6]H)(CNO)	N(C[6a]C[6a]2)(CN[6]O)(H)	C(N[6]C[6]N[6])(NC[6a]H)(O)	N[6](C[6]C[6]CH)(N[6]C[6]H)(CNO){1|C<3>,1|H<1>,2|C<4>}	N(C[6a]C[6a]2)(CN[6]O)(H)	114.8740	0.000	1	114.8740	0.000	1	114.8740	0.000	1	114.8740	0.000	1	116.3727	7.189	120	116.7126	9.636	127
930	856	956	0:SP2_SP2_SP2	C	N[6]	N	3:3:1:	4:3:3:	3:4:1:	N[6]-3:N-3:O-1:	C[6]-4:C[6]-3:C-3:	C-3:C-4:H-1:	C(N[6]C[6]2)(NCH)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CNO)	N(CN[6]O)(CCCH)(H)	C(N[6]C[6]2)(NCH)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CNO){1|N<3>,1|O<1>,2|H<1>}	N(CN[6]O)(CCCH)(H)	117.3330	0.000	1	117.3330	0.000	1	117.3330	0.000	1	117.3330	0.000	1	116.3727	7.189	120	116.7126	9.636	127
930	856	956	0:SP2_SP2_SP2	C	N[6]	N	3:3:1:	4:4:3:	3:2:1:	N[6]-3:N-3:S-1:	C[6]-4:C[6]-4:C-3:	C-3:N-2:H-1:	C(N[6]C[6]2)(NHN)(S)	N[6](C[6]C[6]HH)2(CNS)	N(CN[6]S)(NC)(H)	C(N[6]C[6]2)(NHN)(S)	N[6](C[6]C[6]HH)2(CNS){1|O<2>,4|H<1>}	N(CN[6]S)(NC)(H)	118.4760	4.760	2	118.4760	22.660	2	118.4760	22.660	2	118.4760	22.660	2	116.3727	7.189	120	116.7126	9.636	127
930	856	956	0:SP2_SP2_SP2	C	N[6]	N	3:3:1:	4:4:3:	3:3:1:	N[6]-3:N-3:O-1:	C[6]-4:C[6]-4:C-3:	C-3:C-3:H-1:	C(N[6]C[6]2)(NCH)(O)	N[6](C[6]C[6]HH)2(CNO)	N(CC[5]O)(CN[6]O)(H)	C(N[6]C[6]2)(NCH)(O)	N[6](C[6]C[6]HH)2(CNO){1|O<2>,4|H<1>}	N(CC[5]O)(CN[6]O)(H)	114.4250	0.000	1	114.4250	0.000	1	114.4250	0.000	1	115.7026	0.823	34	116.3727	7.189	120	116.7126	9.636	127
930	856	956	0:SP2_SP2_SP2	C	N[6]	N	3:3:1:	4:4:3:	3:3:1:	N[6]-3:N-3:O-1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C-3:H-1:	C(N[6]C[6]2)(NC[6a]H)(O)	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CNO)	N(C[6a]C[6a]2)(CN[6]O)(H)	C(N[6]C[6]2)(NC[6a]H)(O)	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CNO){2|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CN[6]O)(H)	116.5070	0.000	1	116.5070	0.000	1	115.9334	0.409	14	115.7026	0.823	34	116.3727	7.189	120	116.7126	9.636	127
930	856	956	0:SP2_SP2_SP2	C	N[6]	N	3:3:1:	4:4:3:	3:3:1:	N[6]-3:N-3:O-1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C-3:H-1:	C(N[6]C[6]2)(NC[6a]H)(O)	N[6](C[6]C[6]HH)2(CNO)	N(C[6a]C[6a]2)(CN[6]O)(H)	C(N[6]C[6]2)(NC[6a]H)(O)	N[6](C[6]C[6]HH)2(CNO){1|C<4>,4|H<1>}	N(C[6a]C[6a]2)(CN[6]O)(H)	116.0810	0.528	4	115.8892	0.413	13	115.9334	0.409	14	115.7026	0.823	34	116.3727	7.189	120	116.7126	9.636	127
930	856	956	0:SP2_SP2_SP2	C	N[6]	N	3:3:1:	4:4:3:	3:3:1:	N[6]-3:N-3:O-1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C-3:H-1:	C(N[6]C[6]2)(NC[6a]H)(O)	N[6](C[6]C[6]HH)2(CNO)	N(C[6a]C[6a]2)(CN[6]O)(H)	C(N[6]C[6]2)(NC[6a]H)(O)	N[6](C[6]C[6]HH)2(CNO){1|N<3>,4|H<1>}	N(C[6a]C[6a]2)(CN[6]O)(H)	115.7322	0.645	4	115.8892	0.413	13	115.9334	0.409	14	115.7026	0.823	34	116.3727	7.189	120	116.7126	9.636	127
930	856	956	0:SP2_SP2_SP2	C	N[6]	N	3:3:1:	4:4:3:	3:3:1:	N[6]-3:N-3:O-1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C-3:H-1:	C(N[6]C[6]2)(NC[6a]H)(O)	N[6](C[6]C[6]HH)2(CNO)	N(C[6a]C[6a]2)(CN[6]O)(H)	C(N[6]C[6]2)(NC[6a]H)(O)	N[6](C[6]C[6]HH)2(CNO){1|O<2>,4|H<1>}	N(C[6a]C[6a]2)(CN[6]O)(H)	116.0017	0.025	3	115.8892	0.413	13	115.9334	0.409	14	115.7026	0.823	34	116.3727	7.189	120	116.7126	9.636	127
930	856	956	0:SP2_SP2_SP2	C	N[6]	N	3:3:1:	4:4:3:	3:3:1:	N[6]-3:N-3:O-1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C-3:H-1:	C(N[6]C[6]2)(NC[6a]H)(O)	N[6](C[6]C[6]HH)2(CNO)	N(C[6a]C[6a]2)(CN[6]O)(H)	C(N[6]C[6]2)(NC[6a]H)(O)	N[6](C[6]C[6]HH)2(CNO){3|C<3>}	N(C[6a]C[6a]2)(CN[6]O)(H)	115.6510	1.574	2	115.8892	0.413	13	115.9334	0.409	14	115.7026	0.823	34	116.3727	7.189	120	116.7126	9.636	127
930	856	956	0:SP2_SP2_SP2	C	N[6]	N	3:3:1:	4:4:3:	3:3:1:	N[6]-3:N-3:S-1:	C[6]-4:C[6]-4:C-3:	C-3:C-3:H-1:	C(N[6]C[6]2)(NCH)(S)	N[6](C[6]C[6]CH)2(CNS)	N(CC[6a]O)(CN[6]S)(H)	C(N[6]C[6]2)(NCH)(S)	N[6](C[6]C[6]CH)2(CNS){1|C<4>,4|H<1>}	N(CC[6a]O)(CN[6]S)(H)	116.9890	1.640	2	116.9890	2.691	2	116.2442	1.199	5	115.7026	0.823	34	116.3727	7.189	120	116.7126	9.636	127
930	856	956	0:SP2_SP2_SP2	C	N[6]	N	3:3:1:	4:4:3:	3:3:1:	N[6]-3:N-3:S-1:	C[6]-4:C[6]-4:C-3:	C-3:C-3:H-1:	C(N[6]C[6]2)(NCH)(S)	N[6](C[6]C[6]HH)2(CNS)	N(CC[5a]O)(CN[6]S)(H)	C(N[6]C[6]2)(NCH)(S)	N[6](C[6]C[6]HH)2(CNS){1|C<4>,4|H<1>}	N(CC[5a]O)(CN[6]S)(H)	115.4400	0.000	1	115.4400	0.000	1	116.2442	1.199	5	115.7026	0.823	34	116.3727	7.189	120	116.7126	9.636	127
930	856	956	0:SP2_SP2_SP2	C	N[6]	N	3:3:1:	4:4:3:	3:3:1:	N[6]-3:N-3:S-1:	C[6]-4:C[6]-4:C-3:	C-3:C-3:H-1:	C(N[6]C[6]2)(NCH)(S)	N[6](C[6]C[6]HH)2(CNS)	N(CC[6]O)(CN[6]S)(H)	C(N[6]C[6]2)(NCH)(S)	N[6](C[6]C[6]HH)2(CNS){1|O<2>,4|H<1>}	N(CC[6]O)(CN[6]S)(H)	116.1380	0.000	1	116.1380	0.000	1	116.2442	1.199	5	115.7026	0.823	34	116.3727	7.189	120	116.7126	9.636	127
930	856	956	0:SP2_SP2_SP2	C	N[6]	N	3:3:1:	4:4:3:	3:3:1:	N[6]-3:N-3:S-1:	C[6]-4:C[6]-4:C-3:	C-3:C-3:H-1:	C(N[6]C[6]2)(NCH)(S)	N[6](C[6]C[6]HH)2(CNS)	N(CC[6a]O)(CN[6]S)(H)	C(N[6]C[6]2)(NCH)(S)	N[6](C[6]C[6]HH)2(CNS){1|C<4>,4|H<1>}	N(CC[6a]O)(CN[6]S)(H)	115.6650	0.000	1	115.6650	0.000	1	116.2442	1.199	5	115.7026	0.823	34	116.3727	7.189	120	116.7126	9.636	127
930	856	956	0:SP2_SP2_SP2	C	N[6]	N	3:3:1:	4:4:3:	3:3:1:	N[6]-3:N-3:S-1:	C[6]-4:C[6]-4:C-3:	C-3:N-3:H-1:	C(N[6]C[6]2)(NHN)(S)	N[6](C[6]C[6]HH)2(CNS)	N(CN[6]S)(NCH)(H)	C(N[6]C[6]2)(NHN)(S)	N[6](C[6]C[6]HH)2(CNS){1|O<2>,4|H<1>}	N(CN[6]S)(NCH)(H)	114.5580	0.000	1	114.5580	0.000	1	114.5580	0.000	1	115.7026	0.823	34	116.3727	7.189	120	116.7126	9.636	127
930	856	956	0:SP2_SP2_SP2	C	N[6]	N	3:3:1:	4:4:3:	3:3:1:	N[6]-3:N-3:S-1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C-3:H-1:	C(N[6]C[6]2)(NC[6a]H)(S)	N[6](C[6]C[6]HH)2(CNS)	N(C[6a]C[6a]2)(CN[6]S)(H)	C(N[6]C[6]2)(NC[6a]H)(S)	N[6](C[6]C[6]HH)2(CNS){1|C<4>,4|H<1>}	N(C[6a]C[6a]2)(CN[6]S)(H)	115.5203	1.188	4	115.4321	0.913	13	115.4321	0.913	13	115.7026	0.823	34	116.3727	7.189	120	116.7126	9.636	127
930	856	956	0:SP2_SP2_SP2	C	N[6]	N	3:3:1:	4:4:3:	3:3:1:	N[6]-3:N-3:S-1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C-3:H-1:	C(N[6]C[6]2)(NC[6a]H)(S)	N[6](C[6]C[6]HH)2(CNS)	N(C[6a]C[6a]2)(CN[6]S)(H)	C(N[6]C[6]2)(NC[6a]H)(S)	N[6](C[6]C[6]HH)2(CNS){1|N<3>,4|H<1>}	N(C[6a]C[6a]2)(CN[6]S)(H)	114.9370	0.000	1	115.4321	0.913	13	115.4321	0.913	13	115.7026	0.823	34	116.3727	7.189	120	116.7126	9.636	127
930	856	956	0:SP2_SP2_SP2	C	N[6]	N	3:3:1:	4:4:3:	3:3:1:	N[6]-3:N-3:S-1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C-3:H-1:	C(N[6]C[6]2)(NC[6a]H)(S)	N[6](C[6]C[6]HH)2(CNS)	N(C[6a]C[6a]2)(CN[6]S)(H)	C(N[6]C[6]2)(NC[6a]H)(S)	N[6](C[6]C[6]HH)2(CNS){1|O<2>,4|H<1>}	N(C[6a]C[6a]2)(CN[6]S)(H)	115.2379	0.809	7	115.4321	0.913	13	115.4321	0.913	13	115.7026	0.823	34	116.3727	7.189	120	116.7126	9.636	127
930	856	956	0:SP2_SP2_SP2	C	N[6]	N	3:3:1:	4:4:3:	3:3:1:	N[6]-3:N-3:S-1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C-3:H-1:	C(N[6]C[6]2)(NC[6a]H)(S)	N[6](C[6]C[6]HH)2(CNS)	N(C[6a]C[6a]2)(CN[6]S)(H)	C(N[6]C[6]2)(NC[6a]H)(S)	N[6](C[6]C[6]HH)2(CNS){1|S<2>,4|H<1>}	N(C[6a]C[6a]2)(CN[6]S)(H)	116.9340	0.000	1	115.4321	0.913	13	115.4321	0.913	13	115.7026	0.823	34	116.3727	7.189	120	116.7126	9.636	127
930	856	956	0:SP2_SP2_SP2	C	N[6]	N	3:3:1:	4:4:3:	3:3:3:	N[6]-3:N-3:S-1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C-3:C-3:	C(N[6]C[6]2)(NC[6a]C)(S)	N[6](C[6]C[6]HH)2(CNS)	N(C[6a]C[6a]2)(CN[6]N)(CN[6]S)	C(N[6]C[6]2)(NC[6a]C)(S)	N[6](C[6]C[6]HH)2(CNS){1|C<4>,4|H<1>}	N(C[6a]C[6a]2)(CN[6]N)(CN[6]S)	115.9060	0.396	2	115.8803	0.686	4	115.8803	0.686	4	115.8803	0.686	4	116.3727	7.189	120	116.7126	9.636	127
930	856	956	0:SP2_SP2_SP2	C	N[6]	N	3:3:1:	4:4:3:	3:3:3:	N[6]-3:N-3:S-1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C-3:C-3:	C(N[6]C[6]2)(NC[6a]C)(S)	N[6](C[6]C[6]HH)2(CNS)	N(C[6a]C[6a]2)(CN[6]N)(CN[6]S)	C(N[6]C[6]2)(NC[6a]C)(S)	N[6](C[6]C[6]HH)2(CNS){1|O<2>,4|H<1>}	N(C[6a]C[6a]2)(CN[6]N)(CN[6]S)	115.8545	1.378	2	115.8803	0.686	4	115.8803	0.686	4	115.8803	0.686	4	116.3727	7.189	120	116.7126	9.636	127
930	856	956	0:SP2_SP2_SP2	C	N[6]	N	3:3:1:	4:4:3:	3:4:1:	N[6]-3:N-3:O-1:	C[6]-4:C[6]-4:C-3:	C-3:C-4:H-1:	C(N[6]C[6]2)(NCH)(O)	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CNO)	N(CN[6]O)(CHHN)(H)	C(N[6]C[6]2)(NCH)(O)	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CNO){2|C<3>,2|H<1>}	N(CN[6]O)(CHHN)(H)	119.5440	0.137	2	119.5440	0.019	2	118.2502	2.642	4	117.6285	1.274	10	116.3727	7.189	120	116.7126	9.636	127
930	856	956	0:SP2_SP2_SP2	C	N[6]	N	3:3:1:	4:4:3:	3:4:1:	N[6]-3:N-3:O-1:	C[6]-4:C[6]-4:C-3:	C-3:C-4:H-1:	C(N[6]C[6]2)(NCH)(O)	N[6](C[6]C[6]HH)2(CNO)	N(CN[6]O)(CC3)(H)	C(N[6]C[6]2)(NCH)(O)	N[6](C[6]C[6]HH)2(CNO){1|O<2>,4|H<1>}	N(CN[6]O)(CC3)(H)	116.1780	0.000	1	116.1780	0.000	1	118.2502	2.642	4	117.6285	1.274	10	116.3727	7.189	120	116.7126	9.636	127
930	856	956	0:SP2_SP2_SP2	C	N[6]	N	3:3:1:	4:4:3:	3:4:1:	N[6]-3:N-3:O-1:	C[6]-4:C[6]-4:C-3:	C-3:C-4:H-1:	C(N[6]C[6]2)(NCH)(O)	N[6](C[6]C[6]HH)2(CNO)	N(CN[6]O)(CCHH)(H)	C(N[6]C[6]2)(NCH)(O)	N[6](C[6]C[6]HH)2(CNO){1|N<3>,4|H<1>}	N(CN[6]O)(CCHH)(H)	117.7350	0.000	1	117.7350	0.000	1	118.2502	2.642	4	117.6285	1.274	10	116.3727	7.189	120	116.7126	9.636	127
930	856	956	0:SP2_SP2_SP2	C	N[6]	N	3:3:1:	4:4:3:	3:4:1:	N[6]-3:N-3:O-1:	C[6]-4:C[6]-4:C-3:	C-3:P-4:H-1:	C(N[6]C[6]2)(NHP)(O)	N[6](C[6]C[6]HH)2(CNO)	N(CN[6]O)(PCCS)(H)	C(N[6]C[6]2)(NHP)(O)	N[6](C[6]C[6]HH)2(CNO){1|C<4>,4|H<1>}	N(CN[6]O)(PCCS)(H)	117.0570	0.000	1	117.0570	0.000	1	117.0570	0.000	1	117.6285	1.274	10	116.3727	7.189	120	116.7126	9.636	127
930	856	956	0:SP2_SP2_SP2	C	N[6]	N	3:3:1:	4:4:3:	3:4:1:	N[6]-3:N-3:S-1:	C[6]-4:C[6]-4:C-3:	C-3:C-4:H-1:	C(N[6]C[6]2)(NCH)(S)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CNS)	N(CN[6]S)(CCHH)(H)	C(N[6]C[6]2)(NCH)(S)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CNS){1|C<4>,4|H<1>}	N(CN[6]S)(CCHH)(H)	117.4780	0.088	2	117.4780	0.008	2	117.2454	0.233	5	117.6285	1.274	10	116.3727	7.189	120	116.7126	9.636	127
930	856	956	0:SP2_SP2_SP2	C	N[6]	N	3:3:1:	4:4:3:	3:4:1:	N[6]-3:N-3:S-1:	C[6]-4:C[6]-4:C-3:	C-3:C-4:H-1:	C(N[6]C[6]2)(NCH)(S)	N[6](C[6]C[6]HH)2(CNS)	N(CN[6]S)(CH3)(H)	C(N[6]C[6]2)(NCH)(S)	N[6](C[6]C[6]HH)2(CNS){1|N<3>,4|H<1>}	N(CN[6]S)(CH3)(H)	117.0903	0.610	3	117.0903	0.373	3	117.2454	0.233	5	117.6285	1.274	10	116.3727	7.189	120	116.7126	9.636	127
930	856	956	0:SP2_SP2_SP2	C	N[6]	N	3:3:1:	4:4:3:	3:4:4:	N[6]-3:N-3:H-1:	C[6]-4:C[6]-4:C-3:	C-3:C-4:C-4:	C(N[6]C[6]2)(NCC)(H)	N[6](C[6]C[6]HH)2(CHN)	N(CN[6]H)(CCCH)2	C(N[6]C[6]2)(NCC)(H)	N[6](C[6]C[6]HH)2(CHN){1|C<4>,4|H<1>}	N(CN[6]H)(CCCH)2	131.0130	0.000	1	131.0130	0.000	1	131.0130	0.000	1	120.5872	49.463	4	116.3727	7.189	120	116.7126	9.636	127
930	856	956	0:SP2_SP2_SP2	C	N[6]	N	3:3:1:	4:4:3:	3:4:4:	N[6]-3:N-3:O-1:	C[6]-4:C[6]-4:C-3:	C-3:C-4:C-4:	C(N[6]C[6]2)(NCC)(O)	N[6](C[6]C[6]CC)(C[6]C[6]CH)(CNO)	N(CN[6]O)(CH3)2	C(N[6]C[6]2)(NCC)(O)	N[6](C[6]C[6]CC)(C[6]C[6]CH)(CNO){1|C<4>,4|H<1>}	N(CN[6]O)(CH3)2	115.9700	0.000	1	115.9700	0.000	1	117.1120	1.730	3	120.5872	49.463	4	116.3727	7.189	120	116.7126	9.636	127
930	856	956	0:SP2_SP2_SP2	C	N[6]	N	3:3:1:	4:4:3:	3:4:4:	N[6]-3:N-3:O-1:	C[6]-4:C[6]-4:C-3:	C-3:C-4:C-4:	C(N[6]C[6]2)(NCC)(O)	N[6](C[6]C[6]HH)2(CNO)	N(CN[6]O)(CCHH)2	C(N[6]C[6]2)(NCC)(O)	N[6](C[6]C[6]HH)2(CNO){1|N<4>,4|H<1>}	N(CN[6]O)(CCHH)2	117.6830	1.226	2	117.6830	1.503	2	117.1120	1.730	3	120.5872	49.463	4	116.3727	7.189	120	116.7126	9.636	127
930	856	956	0:SP2_SP2_SP2	C	N[6]	N	3:3:1:	4:4:3:	4:3:1:	N[6]-3:N-3:Se-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C-3:H-1:	C(N[6]C[6]2)(NC[6]H)(Se)	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CSeN)	N(C[6]C[6]2H)(CN[6]Se)(H)	C(N[6]C[6]2)(NC[6]H)(Se)	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CSeN){2|C<3>,2|H<1>}	N(C[6]C[6]2H)(CN[6]Se)(H)	117.4780	0.000	1	117.4780	0.000	1	117.9970	0.204	3	117.9970	0.204	3	116.3727	7.189	120	116.7126	9.636	127
930	856	956	0:SP2_SP2_SP2	C	N[6]	N	3:3:1:	4:4:3:	4:3:1:	N[6]-3:N-3:Se-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C-3:H-1:	C(N[6]C[6]2)(NC[6]H)(Se)	N[6](C[6]C[6]HH)2(CSeN)	N(C[6]C[6]2H)(CN[6]Se)(H)	C(N[6]C[6]2)(NC[6]H)(Se)	N[6](C[6]C[6]HH)2(CSeN){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CN[6]Se)(H)	118.2565	0.069	2	118.2565	0.005	2	117.9970	0.204	3	117.9970	0.204	3	116.3727	7.189	120	116.7126	9.636	127
930	856	956	0:SP2_SP2_SP2	C	N[6]	N	3:3:1:	4:4:3:	4:3:3:	N[6]-3:N-3:O-1:	C[6]-4:C[6]-4:C-3:	C-4:C-3:C-3:	C(N[6]C[6]2)(NCC)(O)	N[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(CNO)	N(CC[6a]HH)(CN[6]O)(CCO)	C(N[6]C[6]2)(NCC)(O)	N[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(CNO){1|C<3>,1|S<2>,2|H<1>}	N(CC[6a]HH)(CN[6]O)(CCO)	115.9150	0.000	1	115.9150	0.000	1	115.3500	0.638	2	115.3500	0.638	2	116.3727	7.189	120	116.7126	9.636	127
930	856	956	0:SP2_SP2_SP2	C	N[6]	N	3:3:1:	4:4:3:	4:3:3:	N[6]-3:N-3:O-1:	C[6]-4:C[6]-4:C-3:	C-4:C-3:C-3:	C(N[6]C[6]2)(NCC)(O)	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CNO)	N(CC[6a]HH)(CN[6]O)(CCO)	C(N[6]C[6]2)(NCC)(O)	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CNO){2|C<3>,2|H<1>}	N(CC[6a]HH)(CN[6]O)(CCO)	114.7850	0.000	1	114.7850	0.000	1	115.3500	0.638	2	115.3500	0.638	2	116.3727	7.189	120	116.7126	9.636	127
930	856	956	0:SP2_SP2_SP2	C	N[6]	N	3:3:2:	4:4:3:	3:1:1:	N[6]-3:N-3:N-2:	C[6]-4:C[6]-4:C-3:	C-3:H-1:H-1:	C(N[6]C[6]2)(NHH)(NC)	N[6](C[6]C[6]HH)2(CNN)	N(CN[6]N)(H)2	C(N[6]C[6]2)(NHH)(NC)	N[6](C[6]C[6]HH)2(CNN){1|O<2>,4|H<1>}	N(CN[6]N)(H)2	119.1270	0.000	1	119.1270	0.000	1	117.9700	2.677	2	119.2978	1.690	6	116.3727	7.189	120	116.7126	9.636	127
930	856	956	0:SP2_SP2_SP2	C	N[6]	N	3:3:2:	4:4:3:	3:1:1:	N[6]-3:N-3:N-2:	C[6]-4:C[6]-4:C-3:	C-3:H-1:H-1:	C(N[6]C[6]2)(NHH)(NH)	N[6](C[6]C[6]HH)2(CNN)	N(CN[6]N)(H)2	C(N[6]C[6]2)(NHH)(NH)	N[6](C[6]C[6]HH)2(CNN){1|C<4>,4|H<1>}	N(CN[6]N)(H)2	116.8130	0.000	1	116.8130	0.000	1	117.9700	2.677	2	119.2978	1.690	6	116.3727	7.189	120	116.7126	9.636	127
930	856	956	0:SP2_SP2_SP2	C	N[6]	N	3:3:2:	4:4:3:	3:1:1:	N[6]-3:N-3:O-2:	C[6]-4:C[6]-4:C-3:	C-3:H-1:H-1:	C(N[6]C[6]2)(NHH)(OZn)	N[6](C[6]C[6]HH)2(CNO)	N(CN[6]O)(H)2	C(N[6]C[6]2)(NHH)(OZn)	N[6](C[6]C[6]HH)2(CNO){1|C<4>,4|H<1>}	N(CN[6]O)(H)2	119.9617	0.401	4	119.9617	0.161	4	119.9617	0.161	4	119.2978	1.690	6	116.3727	7.189	120	116.7126	9.636	127
930	856	956	0:SP2_SP2_SP2	C	N[6]	N	3:3:2:	4:4:3:	3:3:1:	N[6]-3:N-3:N-2:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C-3:H-1:	C(N[6]C[6]2)(NC[6a]H)(NC[6a])	N[6](C[6]C[6]CH)2(CNN)	N(C[6a]C[6a]2)(CN[6]N)(H)	C(N[6]C[6]2)(NC[6a]H)(NC[6a])	N[6](C[6]C[6]CH)2(CNN){1|C<4>,4|H<1>}	N(C[6a]C[6a]2)(CN[6]N)(H)	115.2640	0.000	1	115.2640	0.000	1	115.3730	0.024	2	115.3730	0.024	2	116.3727	7.189	120	116.7126	9.636	127
930	856	956	0:SP2_SP2_SP2	C	N[6]	N	3:3:2:	4:4:3:	3:3:1:	N[6]-3:N-3:N-2:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C-3:H-1:	C(N[6]C[6]2)(NC[6a]H)(NC[6a])	N[6](C[6]C[6]HH)2(CNN)	N(C[6a]C[6a]2)(CN[6]N)(H)	C(N[6]C[6]2)(NC[6a]H)(NC[6a])	N[6](C[6]C[6]HH)2(CNN){1|N<3>,4|H<1>}	N(C[6a]C[6a]2)(CN[6]N)(H)	115.4820	0.000	1	115.4820	0.000	1	115.3730	0.024	2	115.3730	0.024	2	116.3727	7.189	120	116.7126	9.636	127
930	856	956	0:SP2_SP2_SP2	C	N[6]	N	3:3:2:	4:4:3:	3:3:3:	N[6]-3:N-3:N-2:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C-3:C-3:	C(N[6]C[6]2)(NC[6a]C)(NC[6a])	N[6](C[6]C[6]HH)2(CNN)	N(C[6a]C[6a]2)(CN[6]N)(CN[6]S)	C(N[6]C[6]2)(NC[6a]C)(NC[6a])	N[6](C[6]C[6]HH)2(CNN){1|C<4>,4|H<1>}	N(C[6a]C[6a]2)(CN[6]N)(CN[6]S)	114.3790	0.000	1	114.3790	0.000	1	114.3790	0.000	1	114.3790	0.000	1	116.3727	7.189	120	116.7126	9.636	127
930	856	956	0:SP2_SP2_SP2	C	N[6]	N	3:3:2:	4:4:3:	4:3:1:	N[6]-3:N-3:N-2:	C[6]-4:C[6]-4:C-3:	C[6]-4:C-3:H-1:	C(N[6]C[6]2)(NC[6]H)(NC[6])	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CNN)	N(C[6]C[6]2H)(CN[6]N)(H)	C(N[6]C[6]2)(NC[6]H)(NC[6])	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CNN){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CN[6]N)(H)	113.5630	0.239	3	113.5630	0.057	3	113.5630	0.057	3	113.5630	0.057	3	116.3727	7.189	120	116.7126	9.636	127
930	856	956	0:SP2_SP2_SP2	C	N[6]	N	3:3:2:	4:4:3:	4:3:3:	N[6]-3:N-3:N-2:	C[6]-4:C[6]-4:C-3:	C[6]-4:P-3:C-3:	C(N[6]C[6]2)(NC[6]P)(NC[6])	N[6](C[6]C[6]HH)2(CNN)	N(C[6]C[6]2H)(PC[6a]2)(CN[6]N)	C(N[6]C[6]2)(NC[6]P)(NC[6])	N[6](C[6]C[6]HH)2(CNN){1|O<2>,4|H<1>}	N(C[6]C[6]2H)(PC[6a]2)(CN[6]N)	113.1950	0.000	1	113.1950	0.000	1	113.1950	0.000	1	113.1950	0.000	1	116.3727	7.189	120	116.7126	9.636	127
930	856	956	0:SP2_SP2_SP2	C	N[6]	N	3:3:3:	4:4:3:	3:1:1:	N[6]-3:N-3:N-3:	C[6]-4:C[6]-4:C-3:	C-3:H-1:H-1:	C(N[6]C[6]2)(NCH)(NHH)	N[6](C[6]C[6]HH)2(CNN)	N(CN[6]N)(H)2	C(N[6]C[6]2)(NCH)(NHH)	N[6](C[6]C[6]HH)2(CNN){1|O<2>,4|H<1>}	N(CN[6]N)(H)2	124.3790	0.000	1	124.3790	0.000	1	120.3556	7.039	7	120.3556	7.039	7	116.3727	7.189	120	116.7126	9.636	127
930	856	956	0:SP2_SP2_SP2	C	N[6]	N	3:3:3:	4:4:3:	3:1:1:	N[6]-3:N-3:N-3:	C[6]-4:C[6]-4:C-3:	C-3:H-1:H-1:	C(N[6]C[6]2)(NHH)2	N[6](C[6]C[6]HH)2(CNN)	N(CN[6]N)(H)2	C(N[6]C[6]2)(NHH)2	N[6](C[6]C[6]HH)2(CNN){1|O<2>,4|H<1>}	N(CN[6]N)(H)2	121.0590	0.318	4	121.0590	0.101	4	120.3556	7.039	7	120.3556	7.039	7	116.3727	7.189	120	116.7126	9.636	127
930	856	956	0:SP2_SP2_SP2	C	N[6]	N	3:3:3:	4:4:3:	3:1:1:	N[6]-3:N-3:N-3:	C[6]-4:C[6]-4:C-3:	C-3:H-1:H-1:	C(N[6]C[6]2)(NPtH)(NHH)	N[6](C[6]C[6]HH)2(CNN)	N(CN[6]N)(H)2	C(N[6]C[6]2)(NPtH)(NHH)	N[6](C[6]C[6]HH)2(CNN){1|C<4>,4|H<1>}	N(CN[6]N)(H)2	116.9370	0.624	2	116.9370	0.389	2	120.3556	7.039	7	120.3556	7.039	7	116.3727	7.189	120	116.7126	9.636	127
930	856	956	0:SP2_SP2_SP2	C	N[6]	N	3:3:3:	4:4:3:	3:3:1:	C[5a]-3:N[6]-3:N-3:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C-3:H-1:	C(C[5a]C[5a]2)(N[6]C[6]2)(NC[6a]H)	N[6](C[6]C[6]HH)2(CC[5a]N)	N(C[6a]C[6a]2)(CC[5a]N[6])(H)	C(C[5a]C[5a]2)(N[6]C[6]2)(NC[6a]H)	N[6](C[6]C[6]HH)2(CC[5a]N){1|N<4>,4|H<1>}	N(C[6a]C[6a]2)(CC[5a]N[6])(H)	118.3070	0.000	1	118.3070	0.000	1	118.3070	0.000	1	115.8298	2.712	5	116.3727	7.189	120	116.7126	9.636	127
930	856	956	0:SP2_SP2_SP2	C	N[6]	N	3:3:3:	4:4:3:	3:3:1:	N[6]-3:N-3:N-3:	C[6]-4:C[6]-4:C-3:	C-3:C-3:H-1:	C(N[6]C[6]2)(NCH)(NHH)	N[6](C[6]C[6]HH)2(CNN)	N(CN[6]N)(CNN)(H)	C(N[6]C[6]2)(NCH)(NHH)	N[6](C[6]C[6]HH)2(CNN){1|O<2>,4|H<1>}	N(CN[6]N)(CNN)(H)	116.7040	0.000	1	116.7040	0.000	1	115.2105	1.059	4	115.8298	2.712	5	116.3727	7.189	120	116.7126	9.636	127
930	856	956	0:SP2_SP2_SP2	C	N[6]	N	3:3:3:	4:4:3:	3:3:1:	N[6]-3:N-3:N-3:	C[6]-4:C[6]-4:C-3:	C-3:C-3:H-1:	C(N[6]C[6]2)(NPtH)(NCH)	N[6](C[6]C[6]HH)2(CNN)	N(CC[6a]N)(CN[6]N)(H)	C(N[6]C[6]2)(NPtH)(NCH)	N[6](C[6]C[6]HH)2(CNN){1|C<4>,4|H<1>}	N(CC[6a]N)(CN[6]N)(H)	114.7115	0.452	2	114.7115	0.204	2	115.2105	1.059	4	115.8298	2.712	5	116.3727	7.189	120	116.7126	9.636	127
930	856	956	0:SP2_SP2_SP2	C	N[6]	N	3:3:3:	4:4:3:	3:3:1:	N[6]-3:N-3:N-3:	C[6]-4:C[6]-4:C-3:	C-3:C-3:H-1:	C(N[6]C[6]2)(NPtH)(NCH)	N[6](C[6]C[6]HH)2(CNN)	N(CN[6]N)(CNN)(H)	C(N[6]C[6]2)(NPtH)(NCH)	N[6](C[6]C[6]HH)2(CNN){1|C<4>,4|H<1>}	N(CN[6]N)(CNN)(H)	114.7150	0.000	1	114.7150	0.000	1	115.2105	1.059	4	115.8298	2.712	5	116.3727	7.189	120	116.7126	9.636	127
930	856	956	0:SP2_SP2_SP2	C	N[6]	N	3:3:3:	4:4:3:	3:3:3:	C[5a]-3:N[6]-3:N-3:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C-3:C-3:	C(C[5a]C[5a]2)(N[6]C[6]2)(NC[6a]C)	N[6](C[6]C[6]HH)2(CC[5a]N)	N(C[6a]C[6a]2)(CC[5a]N[6])(COO)	C(C[5a]C[5a]2)(N[6]C[6]2)(NC[6a]C)	N[6](C[6]C[6]HH)2(CC[5a]N){1|N<3>,4|H<1>}	N(C[6a]C[6a]2)(CC[5a]N[6])(COO)	115.1320	0.000	1	115.1320	0.000	1	115.1320	0.000	1	115.2273	0.445	13	116.3727	7.189	120	116.7126	9.636	127
930	856	956	0:SP2_SP2_SP2	C	N[6]	N	3:3:3:	4:4:3:	3:3:3:	N[6]-3:N-3:C-3:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C-3:C-3:	C(N[6]C[6]2)(NC[6a]C)(CII)	N[6](C[6]C[6]HH)2(CCN)	N(C[6a]C[6a]2)(CN[6]C)(COO)	C(N[6]C[6]2)(NC[6a]C)(CII)	N[6](C[6]C[6]HH)2(CCN){1|O<2>,4|H<1>}	N(C[6a]C[6a]2)(CN[6]C)(COO)	116.1820	0.000	1	116.1820	0.000	1	116.1820	0.000	1	115.2273	0.445	13	116.3727	7.189	120	116.7126	9.636	127
930	856	956	0:SP2_SP2_SP2	C	N[6]	N	3:3:3:	4:4:3:	3:3:3:	N[6]-3:N-3:N-3:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C-3:C-3:	C(N[6]C[6]2)(NC[6a]C)(NPtH)	N[6](C[6]C[6]HH)2(CNN)	N(C[6a]C[6a]2)(CN[6]N)(CNN)	C(N[6]C[6]2)(NC[6a]C)(NPtH)	N[6](C[6]C[6]HH)2(CNN){1|C<4>,4|H<1>}	N(C[6a]C[6a]2)(CN[6]N)(CNN)	115.3208	0.572	9	115.1492	0.435	11	115.1492	0.435	11	115.2273	0.445	13	116.3727	7.189	120	116.7126	9.636	127
930	856	956	0:SP2_SP2_SP2	C	N[6]	N	3:3:3:	4:4:3:	3:3:3:	N[6]-3:N-3:N-3:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C-3:C-3:	C(N[6]C[6]2)(NC[6a]C)(NPtH)	N[6](C[6]C[6]HH)2(CNN)	N(C[6a]C[6a]2)(CN[6]N)(CNN)	C(N[6]C[6]2)(NC[6a]C)(NPtH)	N[6](C[6]C[6]HH)2(CNN){1|O<2>,4|H<1>}	N(C[6a]C[6a]2)(CN[6]N)(CNN)	114.3770	0.525	2	115.1492	0.435	11	115.1492	0.435	11	115.2273	0.445	13	116.3727	7.189	120	116.7126	9.636	127
930	856	956	0:SP2_SP2_SP2	C	N[6]	N	3:3:3:	4:4:3:	3:4:4:	N[5]-3:N[6]-3:N-3:	C[6]-4:C[6]-4:C-3:	C-3:C-4:C-4:	C(N[5]C[5,6a]N[5])(N[6]C[6]2)(NCC)	N[6](C[6]C[6]HH)2(CN[5]N)	N(CN[5]N[6])(CH3)2	C(N[5]C[5,6a]N[5])(N[6]C[6]2)(NCC)	N[6](C[6]C[6]HH)2(CN[5]N){1|O<2>,4|H<1>}	N(CN[5]N[6])(CH3)2	125.1580	0.000	1	125.1580	0.000	1	125.1580	0.000	1	125.1580	0.000	1	116.3727	7.189	120	116.7126	9.636	127
930	856	956	0:SP2_SP2_SP2	C	N[6]	N	3:4:3:	4:4:3:	3:1:1:	N[6]-3:C-4:N-3:	C[6]-4:C[6]-4:C-3:	C-3:H-1:H-1:	C(N[6]C[6]2)(CH3)(NHH)	N[6](C[6]C[6]HH)2(CCN)	N(CN[6]C)(H)2	C(N[6]C[6]2)(CH3)(NHH)	N[6](C[6]C[6]HH)2(CCN){1|C<4>,4|H<1>}	N(CN[6]C)(H)2	123.3020	0.000	1	123.3020	0.000	1	123.3020	0.000	1	123.3020	0.000	1	116.3727	7.189	120	116.7126	9.636	127
930	856	956	0:SP2_SP2_SP3	C	N[6,6]	N	3:3:1:	4:2:3:	3:3:1:	N[6,6]-3:N-3:O-1:	C[3x6]-4:O[6,6]-2:C-3:	C[6a]-3:C-3:H-1:	C(N[6,6]C[3x6]O[6,6])(NC[6a]H)(O)	N[6,6](C[3x6]C[6,6]2H)(O[6,6]C[3x6])(CNO)	N(C[6a]C[6a]2)(CN[6,6]O)(H)	C(N[6,6]C[3x6]O[6,6])(NC[6a]H)(O)	N[6,6](C[3x6]C[6,6]2H)(O[6,6]C[3x6])(CNO){1|C<3>,1|C<4>,4|H<1>}	N(C[6a]C[6a]2)(CN[6,6]O)(H)	115.6440	0.000	1	115.6440	0.000	1	115.6440	0.000	1	115.6440	0.000	1	116.1183	0.398	3	116.1556	4.317	32
930	856	956	0:SP2_SP2_SP3	C	N[6,6]	N	3:3:1:	4:2:3:	4:3:1:	N[6,6]-3:N-3:O-1:	C[3x6]-4:O[6,6]-2:C-3:	C-4:C-3:H-1:	C(N[6,6]C[3x6]O[6,6])(NCH)(O)	N[6,6](C[3x6]C[6,6]2H)(O[6,6]C[3x6])(CNO)	N(CC[6a]CH)(CN[6,6]O)(H)	C(N[6,6]C[3x6]O[6,6])(NCH)(O)	N[6,6](C[3x6]C[6,6]2H)(O[6,6]C[3x6])(CNO){1|C<3>,1|C<4>,4|H<1>}	N(CC[6a]CH)(CN[6,6]O)(H)	116.3555	0.677	2	116.3555	0.458	2	116.3555	0.458	2	116.3555	0.458	2	116.1183	0.398	3	116.1556	4.317	32
930	856	956	0:SP2_SP2_SP3	C	N[6]	N	3:3:1:	3:2:3:	4:3:1:	N[6]-3:N-3:O-1:	C[6]-3:N[6]-2:C-3:	C-4:C-3:H-1:	C(N[6]C[6]N[6])(NCH)(O)	N[6](C[6]C[6a]N[6])(N[6]C[6])(CNO)	N(CC[6a]CH)(CN[6]O)(H)	C(N[6]C[6]N[6])(NCH)(O)	N[6](C[6]C[6a]N[6])(N[6]C[6])(CNO){1|N<3>,3|C<3>}	N(CC[6a]CH)(CN[6]O)(H)	114.1360	0.000	1	114.1360	0.000	1	114.1360	0.000	1	114.1360	0.000	1	116.1594	4.751	29	116.1556	4.317	32
930	856	956	0:SP2_SP2_SP3	C	N[6]	N	3:3:1:	4:4:3:	3:3:1:	N[6]-3:N-3:O-1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C-3:H-1:	C(N[6]C[6]2)(NC[6a]H)(O)	N[6](C[6]C[6]HH)2(CNO)	N(C[6a]C[6a]2)(CN[6]O)(H)	C(N[6]C[6]2)(NC[6a]H)(O)	N[6](C[6]C[6]HH)2(CNO){1|N<3>,4|H<1>}	N(C[6a]C[6a]2)(CN[6]O)(H)	115.4590	0.000	1	115.7720	0.093	3	115.4857	0.390	4	115.4147	0.293	6	116.1594	4.751	29	116.1556	4.317	32
930	856	956	0:SP2_SP2_SP3	C	N[6]	N	3:3:1:	4:4:3:	3:3:1:	N[6]-3:N-3:O-1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C-3:H-1:	C(N[6]C[6]2)(NC[6a]H)(O)	N[6](C[6]C[6]HH)2(CNO)	N(C[6a]C[6a]2)(CN[6]O)(H)	C(N[6]C[6]2)(NC[6a]H)(O)	N[6](C[6]C[6]HH)2(CNO){1|O<2>,4|H<1>}	N(C[6a]C[6a]2)(CN[6]O)(H)	115.9285	0.199	2	115.7720	0.093	3	115.4857	0.390	4	115.4147	0.293	6	116.1594	4.751	29	116.1556	4.317	32
930	856	956	0:SP2_SP2_SP3	C	N[6]	N	3:3:1:	4:4:3:	3:3:1:	N[6]-3:N-3:O-1:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C-3:H-1:	C(N[6]C[6]2)(NC[6a]H)(O)	N[6](C[6]C[6a]C[6]H)2(CNO)	N(C[6a]C[6a]2)(CN[6]O)(H)	C(N[6]C[6]2)(NC[6a]H)(O)	N[6](C[6]C[6a]C[6]H)2(CNO){2|C<4>,2|H<1>,5|C<3>}	N(C[6a]C[6a]2)(CN[6]O)(H)	114.6270	0.000	1	114.6270	0.000	1	115.4857	0.390	4	115.4147	0.293	6	116.1594	4.751	29	116.1556	4.317	32
930	856	956	0:SP2_SP2_SP3	C	N[6]	N	3:3:1:	4:4:3:	3:3:1:	N[6]-3:N-3:S-1:	C[6]-4:C[6]-4:C-3:	C-3:C-3:H-1:	C(N[6]C[6]2)(NCH)(S)	N[6](C[6]C[6]HH)2(CNS)	N(CC[6a]O)(CN[6]S)(H)	C(N[6]C[6]2)(NCH)(S)	N[6](C[6]C[6]HH)2(CNS){1|C<4>,4|H<1>}	N(CC[6a]O)(CN[6]S)(H)	115.6150	0.000	1	115.2725	0.235	2	115.2725	0.235	2	115.4147	0.293	6	116.1594	4.751	29	116.1556	4.317	32
930	856	956	0:SP2_SP2_SP3	C	N[6]	N	3:3:1:	4:4:3:	3:3:1:	N[6]-3:N-3:S-1:	C[6]-4:C[6]-4:C-3:	C-3:C-3:H-1:	C(N[6]C[6]2)(NCH)(S)	N[6](C[6]C[6]HH)2(CNS)	N(CC[6a]O)(CN[6]S)(H)	C(N[6]C[6]2)(NCH)(S)	N[6](C[6]C[6]HH)2(CNS){1|O<2>,4|H<1>}	N(CC[6a]O)(CN[6]S)(H)	114.9300	0.000	1	115.2725	0.235	2	115.2725	0.235	2	115.4147	0.293	6	116.1594	4.751	29	116.1556	4.317	32
930	856	956	0:SP2_SP2_SP3	C	N[6]	N	3:3:1:	4:4:3:	3:4:1:	N[6]-3:N-3:O-1:	C[6]-4:C[6]-4:C-3:	C-3:C-4:H-1:	C(N[6]C[6]2)(NCH)(O)	N[6](C[6]C[6]HH)2(CNO)	N(CN[6]O)(CCHH)(H)	C(N[6]C[6]2)(NCH)(O)	N[6](C[6]C[6]HH)2(CNO){1|N<3>,4|H<1>}	N(CN[6]O)(CCHH)(H)	117.4010	0.000	1	117.4010	0.000	1	117.4010	0.000	1	117.4010	0.000	1	116.1594	4.751	29	116.1556	4.317	32
930	856	956	0:SP2_SP2_SP3	C	N[6]	N	3:3:1:	4:4:3:	3:4:4:	N[6]-3:N-3:O-1:	C[6]-4:C[6]-4:C-3:	C-3:C-4:C-4:	C(N[6]C[6]2)(NCC)(O)	N[6](C[6]C[6]CC)(C[6]C[6]CH)(CNO)	N(CN[6]O)(CH3)2	C(N[6]C[6]2)(NCC)(O)	N[6](C[6]C[6]CC)(C[6]C[6]CH)(CNO){1|C<4>,4|H<1>}	N(CN[6]O)(CH3)2	116.0720	0.000	1	116.0720	0.000	1	116.0720	0.000	1	116.0720	0.000	1	116.1594	4.751	29	116.1556	4.317	32
930	856	956	0:SP2_SP2_SP3	C	N[6]	N	3:3:2:	4:4:3:	3:1:1:	N[6]-3:N-3:N-2:	C[6]-4:C[6]-4:C-3:	C-3:H-1:H-1:	C(N[6]C[6]2)(NHH)(NC)	N[6](C[6]C[6]HH)2(CNN)	N(CN[6]N)(H)2	C(N[6]C[6]2)(NHH)(NC)	N[6](C[6]C[6]HH)2(CNN){1|C<4>,4|H<1>}	N(CN[6]N)(H)2	120.0050	0.000	1	120.0050	0.000	1	117.7490	10.179	2	117.7490	10.179	2	116.1594	4.751	29	116.1556	4.317	32
930	856	956	0:SP2_SP2_SP3	C	N[6]	N	3:3:2:	4:4:3:	3:1:1:	N[6]-3:N-3:N-2:	C[6]-4:C[6]-4:C-3:	C-3:H-1:H-1:	C(N[6]C[6]2)(NHH)(NH)	N[6](C[6]C[6]HH)2(CNN)	N(CN[6]N)(H)2	C(N[6]C[6]2)(NHH)(NH)	N[6](C[6]C[6]HH)2(CNN){1|O<2>,4|H<1>}	N(CN[6]N)(H)2	115.4930	0.000	1	115.4930	0.000	1	117.7490	10.179	2	117.7490	10.179	2	116.1594	4.751	29	116.1556	4.317	32
930	856	956	0:SP2_SP2_SP3	C	N[6]	N	3:3:2:	4:4:3:	3:3:1:	N[6]-3:N-3:N-2:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C-3:H-1:	C(N[6]C[6]2)(NC[6a]H)(NC[6a])	N[6](C[6]C[6]CH)2(CNN)	N(C[6a]C[6a]2)(CN[6]N)(H)	C(N[6]C[6]2)(NC[6a]H)(NC[6a])	N[6](C[6]C[6]CH)2(CNN){1|C<4>,4|H<1>}	N(C[6a]C[6a]2)(CN[6]N)(H)	115.9840	0.000	1	115.9840	0.000	1	115.5820	0.148	3	115.5820	0.148	3	116.1594	4.751	29	116.1556	4.317	32
930	856	956	0:SP2_SP2_SP3	C	N[6]	N	3:3:2:	4:4:3:	3:3:1:	N[6]-3:N-3:N-2:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C-3:H-1:	C(N[6]C[6]2)(NC[6a]H)(NC[6a])	N[6](C[6]C[6]HH)2(CNN)	N(C[6a]C[6a]2)(CN[6]N)(H)	C(N[6]C[6]2)(NC[6a]H)(NC[6a])	N[6](C[6]C[6]HH)2(CNN){1|N<3>,4|H<1>}	N(C[6a]C[6a]2)(CN[6]N)(H)	115.3810	0.231	2	115.3810	0.053	2	115.5820	0.148	3	115.5820	0.148	3	116.1594	4.751	29	116.1556	4.317	32
930	856	956	0:SP2_SP2_SP3	C	N[6]	N	3:3:2:	4:4:3:	3:3:3:	N[6]-3:N-3:N-2:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C-3:C-3:	C(N[6]C[6]2)(NC[6a]C)(NC[6a])	N[6](C[6]C[6]HH)2(CNN)	N(C[6a]C[6a]2)(CN[6]N)(CN[6]S)	C(N[6]C[6]2)(NC[6a]C)(NC[6a])	N[6](C[6]C[6]HH)2(CNN){1|C<4>,4|H<1>}	N(C[6a]C[6a]2)(CN[6]N)(CN[6]S)	114.6800	0.000	1	114.8940	0.826	3	114.8940	0.826	3	114.8940	0.826	3	116.1594	4.751	29	116.1556	4.317	32
930	856	956	0:SP2_SP2_SP3	C	N[6]	N	3:3:2:	4:4:3:	3:3:3:	N[6]-3:N-3:N-2:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C-3:C-3:	C(N[6]C[6]2)(NC[6a]C)(NC[6a])	N[6](C[6]C[6]HH)2(CNN)	N(C[6a]C[6a]2)(CN[6]N)(CN[6]S)	C(N[6]C[6]2)(NC[6a]C)(NC[6a])	N[6](C[6]C[6]HH)2(CNN){1|O<2>,4|H<1>}	N(C[6a]C[6a]2)(CN[6]N)(CN[6]S)	115.0010	1.259	2	114.8940	0.826	3	114.8940	0.826	3	114.8940	0.826	3	116.1594	4.751	29	116.1556	4.317	32
930	856	956	0:SP2_SP2_SP3	C	N[6]	N	3:3:2:	4:4:3:	4:3:1:	N[6]-3:N-3:N-2:	C[6]-4:C[6]-4:C-3:	C[6]-4:C-3:H-1:	C(N[6]C[6]2)(NC[6]H)(NC[6])	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CNN)	N(C[6]C[6]2H)(CN[6]N)(H)	C(N[6]C[6]2)(NC[6]H)(NC[6])	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CNN){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CN[6]N)(H)	113.4780	0.270	2	113.4780	0.073	2	113.4780	0.073	2	113.4780	0.073	2	116.1594	4.751	29	116.1556	4.317	32
930	856	956	0:SP2_SP2_SP3	C	N[6]	N	3:3:3:	4:4:3:	3:1:1:	N[6]-3:N-3:N-3:	C[6]-4:C[6]-4:C-3:	C-3:H-1:H-1:	C(N[6]C[6]2)(NHH)2	N[6](C[6]C[6]HH)2(CNN)	N(CN[6]N)(H)2	C(N[6]C[6]2)(NHH)2	N[6](C[6]C[6]HH)2(CNN){1|C<4>,4|H<1>}	N(CN[6]N)(H)2	121.2000	0.219	2	121.2000	0.048	2	121.2000	0.048	2	121.2000	0.048	2	116.1594	4.751	29	116.1556	4.317	32
930	856	956	0:SP2_SP2_SP3	C	N[6]	N	3:3:3:	4:4:3:	3:3:1:	N[6]-3:N-3:N-3:	C[6]-4:C[6]-4:C-3:	C-3:C-3:H-1:	C(N[6]C[6]2)(NPtH)(NCH)	N[6](C[6]C[6]HH)2(CNN)	N(CC[6a]N)(CN[6]N)(H)	C(N[6]C[6]2)(NPtH)(NCH)	N[6](C[6]C[6]HH)2(CNN){1|C<4>,4|H<1>}	N(CC[6a]N)(CN[6]N)(H)	116.5710	0.000	1	116.5710	0.000	1	116.5710	0.000	1	116.5710	0.000	1	116.1594	4.751	29	116.1556	4.317	32
930	856	956	0:SP2_SP2_SP3	C	N[6]	N	3:3:3:	4:4:3:	3:3:3:	C[5a]-3:N[6]-3:N-3:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C-3:C-3:	C(C[5a]C[5a]2)(N[6]C[6]2)(NC[6a]C)	N[6](C[6]C[6]HH)2(CC[5a]N)	N(C[6a]C[6a]2)(CC[5a]N[6])(COO)	C(C[5a]C[5a]2)(N[6]C[6]2)(NC[6a]C)	N[6](C[6]C[6]HH)2(CC[5a]N){1|N<3>,4|H<1>}	N(C[6a]C[6a]2)(CC[5a]N[6])(COO)	115.5775	0.042	2	115.5775	0.002	2	115.5775	0.002	2	115.4415	0.289	4	116.1594	4.751	29	116.1556	4.317	32
930	856	956	0:SP2_SP2_SP3	C	N[6]	N	3:3:3:	4:4:3:	3:3:3:	N[6]-3:N-3:N-3:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C-3:C-3:	C(N[6]C[6]2)(NC[6a]C)(NPtH)	N[6](C[6]C[6]HH)2(CNN)	N(C[6a]C[6a]2)(CN[6]N)(CNN)	C(N[6]C[6]2)(NC[6a]C)(NPtH)	N[6](C[6]C[6]HH)2(CNN){1|C<4>,4|H<1>}	N(C[6a]C[6a]2)(CN[6]N)(CNN)	115.9340	0.000	1	115.3055	0.790	2	115.3055	0.790	2	115.4415	0.289	4	116.1594	4.751	29	116.1556	4.317	32
930	856	956	0:SP2_SP2_SP3	C	N[6]	N	3:3:3:	4:4:3:	3:3:3:	N[6]-3:N-3:N-3:	C[6]-4:C[6]-4:C-3:	C[6a]-3:C-3:C-3:	C(N[6]C[6]2)(NC[6a]C)(NPtH)	N[6](C[6]C[6]HH)2(CNN)	N(C[6a]C[6a]2)(CN[6]N)(CNN)	C(N[6]C[6]2)(NC[6a]C)(NPtH)	N[6](C[6]C[6]HH)2(CNN){1|O<2>,4|H<1>}	N(C[6a]C[6a]2)(CN[6]N)(CNN)	114.6770	0.000	1	115.3055	0.790	2	115.3055	0.790	2	115.4415	0.289	4	116.1594	4.751	29	116.1556	4.317	32
930	856	956	0:SP2_SP2_SP3	C	N[6]	N	3:3:3:	4:4:3:	4:3:1:	N[6]-3:N-3:N-3:	C[6]-4:C[6]-4:C-3:	C[6]-4:C-3:H-1:	C(N[6]C[6]2)(NC[6]H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CNN)	N(C[6]C[6]2H)(CN[6]N)(H)	C(N[6]C[6]2)(NC[6]H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CNN){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CN[6]N)(H)	119.8335	0.722	2	119.8335	0.521	2	119.8335	0.521	2	119.8335	0.521	2	116.1594	4.751	29	116.1556	4.317	32
930	856	956	0:SP2_SP2_SP3	C	N[6]	N	3:3:3:	4:4:3:	4:4:3:	N[6]-3:N-3:N-3:	C[6]-4:C[6]-4:C-3:	C[6]-4:P-4:C-3:	C(N[6]C[6]2)(NC[6]Rh)(NC[6]P)	N[6](C[6]C[6]HH)2(CNN)	N(C[6]C[6]2H)(PC[6a]2Rh)(CN[6]N)	C(N[6]C[6]2)(NC[6]Rh)(NC[6]P)	N[6](C[6]C[6]HH)2(CNN){1|O<2>,4|H<1>}	N(C[6]C[6]2H)(PC[6a]2Rh)(CN[6]N)	114.2410	0.000	1	114.2410	0.000	1	114.2410	0.000	1	114.2410	0.000	1	116.1594	4.751	29	116.1556	4.317	32
930	856	956	0:SP2_SP3_SP3	C	N[6]	N	3:3:1:	4:4:3:	3:4:4:	N[6]-3:N-3:O-1:	C[6]-4:C[6]-4:C-3:	C-3:C-4:C-4:	C(N[6]C[6]2)(NCC)(O)	N[6](C[6]C[6]HH)2(CNO)	N(CN[6]O)(CCHH)2	C(N[6]C[6]2)(NCC)(O)	N[6](C[6]C[6]HH)2(CNO){1|N<4>,4|H<1>}	N(CN[6]O)(CCHH)2	115.9910	0.000	1	115.9910	0.000	1	115.9910	0.000	1	115.9910	0.000	1	116.7235	1.073	2	116.7235	1.073	2
930	856	956	0:SP2_SP3_SP3	C	N[6]	N	3:3:2:	4:4:3:	3:1:1:	N[6]-3:N-3:N-2:	C[6]-4:C[6]-4:C-3:	C-3:H-1:H-1:	C(N[6]C[6]2)(NHH)(NO)	N[6](C[6]C[6]HH)2(CNN)	N(CN[6]N)(H)2	C(N[6]C[6]2)(NHH)(NO)	N[6](C[6]C[6]HH)2(CNN){1|N<3>,4|H<1>}	N(CN[6]N)(H)2	117.4560	0.000	1	117.4560	0.000	1	117.4560	0.000	1	117.4560	0.000	1	116.7235	1.073	2	116.7235	1.073	2
930	856	977	0:SP2_SP-NON_SP2	C	N[6]	S	3:1:1:	3:4:3:	3:	N[6]-3:H-1:S-1:	C[6,6a]-3:C[6]-4:C-3:	C-3:	C(N[6]C[6,6a]C[6])(H)(S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CHS)	S(CN[6]H)	C(N[6]C[6,6a]C[6])(H)(S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CHS){1|C<4>,2|C<3>,3|H<1>}	S(CN[6]H)	128.2723	0.254	4	128.2723	0.064	4	128.2723	0.064	4	128.2723	0.064	4	124.2999	3.312	99	124.2999	3.312	99
930	856	977	0:SP2_SP-NON_SP2	C	N[6]	S	3:1:1:	4:4:3:	3:	N[6]-3:S-1:S-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(N[6]C[6]2)(S)2	N[6](C[6]C[6]HH)2(CSS)	S(CN[6]S)	C(N[6]C[6]2)(S)2	N[6](C[6]C[6]HH)2(CSS){1|O<2>,4|H<1>}	S(CN[6]S)	120.0860	0.544	2	120.0860	0.296	2	120.0860	0.296	2	120.0860	0.296	2	124.2999	3.312	99	124.2999	3.312	99
930	856	977	0:SP2_SP-NON_SP2	C	N[6]	S	3:2:1:	3:4:3:	3:	N[6]-3:S-2:S-1:	C[6,6a]-3:C[6]-4:C-3:	C-3:	C(N[6]C[6,6a]C[6])(SS)(S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CSS)	S(CN[6]S)	C(N[6]C[6,6a]C[6])(SS)(S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CSS){1|C<4>,2|C<3>,3|H<1>}	S(CN[6]S)	124.7955	0.223	2	124.7955	0.050	2	124.7955	0.050	2	124.7955	0.050	2	124.2999	3.312	99	124.2999	3.312	99
930	856	977	0:SP2_SP-NON_SP2	C	N[6]	S	3:2:1:	4:4:3:	3:	N[6]-3:N-2:S-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(N[6]C[6]2)(NC[6a])(S)	N[6](C[6]C[6]HH)2(CNS)	S(CN[6]N)	C(N[6]C[6]2)(NC[6a])(S)	N[6](C[6]C[6]HH)2(CNS){1|O<2>,4|H<1>}	S(CN[6]N)	121.6660	0.000	1	121.6660	0.000	1	121.6506	0.408	5	124.3589	1.371	39	124.2999	3.312	99	124.2999	3.312	99
930	856	977	0:SP2_SP-NON_SP2	C	N[6]	S	3:2:1:	4:4:3:	3:	N[6]-3:N-2:S-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(N[6]C[6]2)(NN)(S)	N[6](C[6]C[6]HH)2(CNS)	S(CN[6]N)	C(N[6]C[6]2)(NN)(S)	N[6](C[6]C[6]HH)2(CNS){1|C<4>,4|H<1>}	S(CN[6]N)	122.6830	0.000	1	121.6467	0.544	4	121.6506	0.408	5	124.3589	1.371	39	124.2999	3.312	99	124.2999	3.312	99
930	856	977	0:SP2_SP-NON_SP2	C	N[6]	S	3:2:1:	4:4:3:	3:	N[6]-3:N-2:S-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(N[6]C[6]2)(NN)(S)	N[6](C[6]C[6]HH)2(CNS)	S(CN[6]N)	C(N[6]C[6]2)(NN)(S)	N[6](C[6]C[6]HH)2(CNS){1|O<2>,4|H<1>}	S(CN[6]N)	121.3013	0.316	3	121.6467	0.544	4	121.6506	0.408	5	124.3589	1.371	39	124.2999	3.312	99	124.2999	3.312	99
930	856	977	0:SP2_SP-NON_SP2	C	N[6]	S	3:2:1:	4:4:3:	3:	N[6]-3:S-2:S-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(N[6]C[6]2)(SC)(S)	N[6](C[6]C[6]HH)2(CSS)	S(CN[6]S)	C(N[6]C[6]2)(SC)(S)	N[6](C[6]C[6]HH)2(CSS){1|C<4>,4|H<1>}	S(CN[6]S)	124.9775	0.489	15	124.7571	0.254	34	124.7571	0.254	34	124.3589	1.371	39	124.2999	3.312	99	124.2999	3.312	99
930	856	977	0:SP2_SP-NON_SP2	C	N[6]	S	3:2:1:	4:4:3:	3:	N[6]-3:S-2:S-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(N[6]C[6]2)(SC)(S)	N[6](C[6]C[6]HH)2(CSS)	S(CN[6]S)	C(N[6]C[6]2)(SC)(S)	N[6](C[6]C[6]HH)2(CSS){1|N<3>,4|H<1>}	S(CN[6]S)	124.2080	0.604	4	124.7571	0.254	34	124.7571	0.254	34	124.3589	1.371	39	124.2999	3.312	99	124.2999	3.312	99
930	856	977	0:SP2_SP-NON_SP2	C	N[6]	S	3:2:1:	4:4:3:	3:	N[6]-3:S-2:S-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(N[6]C[6]2)(SC)(S)	N[6](C[6]C[6]HH)2(CSS)	S(CN[6]S)	C(N[6]C[6]2)(SC)(S)	N[6](C[6]C[6]HH)2(CSS){1|O<2>,4|H<1>}	S(CN[6]S)	124.6832	0.371	15	124.7571	0.254	34	124.7571	0.254	34	124.3589	1.371	39	124.2999	3.312	99	124.2999	3.312	99
930	856	977	0:SP2_SP-NON_SP2	C	N[6]	S	3:3:1:	3:4:3:	3:	N[6]-3:C[6a]-3:S-1:	C[6,6a]-3:C[6]-4:C-3:	C-3:	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(S)	N[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(CC[6a]S)	S(CC[6a]N[6])	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(S)	N[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(CC[6a]S){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	S(CC[6a]N[6])	122.8580	1.567	2	122.8580	2.455	2	122.8580	2.455	2	122.8580	2.455	2	124.2999	3.312	99	124.2999	3.312	99
930	856	977	0:SP2_SP-NON_SP2	C	N[6]	S	3:3:1:	4:4:3:	3:	C[5]-3:N[6]-3:S-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(C[5]C[5]2)(N[6]C[6]2)(S)	N[6](C[6]C[6]HH)2(CC[5]S)	S(CC[5]N[6])	C(C[5]C[5]2)(N[6]C[6]2)(S)	N[6](C[6]C[6]HH)2(CC[5]S){1|C<4>,4|H<1>}	S(CC[5]N[6])	124.5830	0.000	1	124.5830	0.000	1	123.3755	2.916	2	124.2736	3.524	44	124.2999	3.312	99	124.2999	3.312	99
930	856	977	0:SP2_SP-NON_SP2	C	N[6]	S	3:3:1:	4:4:3:	3:	C[5]-3:N[6]-3:S-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(C[5]C[5]N[5])(N[6]C[6]2)(S)	N[6](C[6]C[6]HH)2(CC[5]S)	S(CC[5]N[6])	C(C[5]C[5]N[5])(N[6]C[6]2)(S)	N[6](C[6]C[6]HH)2(CC[5]S){1|C<4>,4|H<1>}	S(CC[5]N[6])	122.1680	0.000	1	122.1680	0.000	1	123.3755	2.916	2	124.2736	3.524	44	124.2999	3.312	99	124.2999	3.312	99
930	856	977	0:SP2_SP-NON_SP2	C	N[6]	S	3:3:1:	4:4:3:	3:	C[6a]-3:N[6]-3:S-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(S)	N[6](C[6]C[6]HH)2(CC[6a]S)	S(CC[6a]N[6])	C(C[6a]C[6a]2)(N[6]C[6]2)(S)	N[6](C[6]C[6]HH)2(CC[6a]S){1|C<4>,4|H<1>}	S(CC[6a]N[6])	124.7010	0.000	1	124.6790	0.047	3	124.6790	0.047	3	124.2736	3.524	44	124.2999	3.312	99	124.2999	3.312	99
930	856	977	0:SP2_SP-NON_SP2	C	N[6]	S	3:3:1:	4:4:3:	3:	C[6a]-3:N[6]-3:S-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(C[6a]C[6a]2)(N[6]C[6]2)(S)	N[6](C[6]C[6]HH)2(CC[6a]S)	S(CC[6a]N[6])	C(C[6a]C[6a]2)(N[6]C[6]2)(S)	N[6](C[6]C[6]HH)2(CC[6a]S){1|O<2>,4|H<1>}	S(CC[6a]N[6])	124.6680	0.307	2	124.6790	0.047	3	124.6790	0.047	3	124.2736	3.524	44	124.2999	3.312	99	124.2999	3.312	99
930	856	977	0:SP2_SP-NON_SP2	C	N[6]	S	3:3:1:	4:4:3:	3:	N[5a]-3:N[6]-3:S-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(N[5a]C[5a,6a]N[5a])(N[6]C[6]2)(S)	N[6](C[6]C[6]HH)2(CN[5a]S)	S(CN[5a]N[6])	C(N[5a]C[5a,6a]N[5a])(N[6]C[6]2)(S)	N[6](C[6]C[6]HH)2(CN[5a]S){1|N<3>,4|H<1>}	S(CN[5a]N[6])	127.1270	0.000	1	127.1270	0.000	1	127.1270	0.000	1	124.2736	3.524	44	124.2999	3.312	99	124.2999	3.312	99
930	856	977	0:SP2_SP-NON_SP2	C	N[6]	S	3:3:1:	4:4:3:	3:	N[6]-3:C-3:S-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(N[6]C[6]2)(CC[6a]O)(S)	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CCS)	S(CN[6]C)	C(N[6]C[6]2)(CC[6a]O)(S)	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CCS){2|C<3>,2|H<1>}	S(CN[6]C)	126.0960	0.000	1	126.0960	0.000	1	127.3195	0.713	6	124.2736	3.524	44	124.2999	3.312	99	124.2999	3.312	99
930	856	977	0:SP2_SP-NON_SP2	C	N[6]	S	3:3:1:	4:4:3:	3:	N[6]-3:C-3:S-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(N[6]C[6]2)(CC[6a]O)(S)	N[6](C[6]C[6]HH)2(CCS)	S(CN[6]C)	C(N[6]C[6]2)(CC[6a]O)(S)	N[6](C[6]C[6]HH)2(CCS){1|O<2>,4|H<1>}	S(CN[6]C)	127.9405	0.110	2	127.9405	0.012	2	127.3195	0.713	6	124.2736	3.524	44	124.2999	3.312	99	124.2999	3.312	99
930	856	977	0:SP2_SP-NON_SP2	C	N[6]	S	3:3:1:	4:4:3:	3:	N[6]-3:C-3:S-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(N[6]C[6]2)(CNO)(S)	N[6](C[6]C[6]HH)2(CCS)	S(CN[6]C)	C(N[6]C[6]2)(CNO)(S)	N[6](C[6]C[6]HH)2(CCS){1|O<2>,4|H<1>}	S(CN[6]C)	128.1050	0.000	1	128.1050	0.000	1	127.3195	0.713	6	124.2736	3.524	44	124.2999	3.312	99	124.2999	3.312	99
930	856	977	0:SP2_SP-NON_SP2	C	N[6]	S	3:3:1:	4:4:3:	3:	N[6]-3:C-3:S-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(N[6]C[6]2)(CN[6]S)(S)	N[6](C[6]C[6]HH)2(CCS)	S(CN[6]C)	C(N[6]C[6]2)(CN[6]S)(S)	N[6](C[6]C[6]HH)2(CCS){1|O<2>,4|H<1>}	S(CN[6]C)	126.9175	0.589	2	126.9175	0.347	2	127.3195	0.713	6	124.2736	3.524	44	124.2999	3.312	99	124.2999	3.312	99
930	856	977	0:SP2_SP-NON_SP2	C	N[6]	S	3:3:1:	4:4:3:	3:	N[6]-3:N-3:S-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(N[6]C[6]2)(NCH)(S)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CNS)	S(CN[6]N)	C(N[6]C[6]2)(NCH)(S)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CNS){1|C<4>,4|H<1>}	S(CN[6]N)	122.2010	0.161	2	122.2010	0.026	2	123.6997	2.042	31	124.2736	3.524	44	124.2999	3.312	99	124.2999	3.312	99
930	856	977	0:SP2_SP-NON_SP2	C	N[6]	S	3:3:1:	4:4:3:	3:	N[6]-3:N-3:S-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(N[6]C[6]2)(NCH)(S)	N[6](C[6]C[6]CH)2(CNS)	S(CN[6]N)	C(N[6]C[6]2)(NCH)(S)	N[6](C[6]C[6]CH)2(CNS){1|C<4>,4|H<1>}	S(CN[6]N)	125.7775	1.300	2	125.7775	1.691	2	123.6997	2.042	31	124.2736	3.524	44	124.2999	3.312	99	124.2999	3.312	99
930	856	977	0:SP2_SP-NON_SP2	C	N[6]	S	3:3:1:	4:4:3:	3:	N[6]-3:N-3:S-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(N[6]C[6]2)(NCH)(S)	N[6](C[6]C[6]HH)2(CNS)	S(CN[6]N)	C(N[6]C[6]2)(NCH)(S)	N[6](C[6]C[6]HH)2(CNS){1|C<4>,4|H<1>}	S(CN[6]N)	126.0580	0.264	3	124.9753	2.117	7	123.6997	2.042	31	124.2736	3.524	44	124.2999	3.312	99	124.2999	3.312	99
930	856	977	0:SP2_SP-NON_SP2	C	N[6]	S	3:3:1:	4:4:3:	3:	N[6]-3:N-3:S-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(N[6]C[6]2)(NCH)(S)	N[6](C[6]C[6]HH)2(CNS)	S(CN[6]N)	C(N[6]C[6]2)(NCH)(S)	N[6](C[6]C[6]HH)2(CNS){1|N<3>,4|H<1>}	S(CN[6]N)	122.9190	0.221	2	124.9753	2.117	7	123.6997	2.042	31	124.2736	3.524	44	124.2999	3.312	99	124.2999	3.312	99
930	856	977	0:SP2_SP-NON_SP2	C	N[6]	S	3:3:1:	4:4:3:	3:	N[6]-3:N-3:S-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(N[6]C[6]2)(NCH)(S)	N[6](C[6]C[6]HH)2(CNS)	S(CN[6]N)	C(N[6]C[6]2)(NCH)(S)	N[6](C[6]C[6]HH)2(CNS){1|O<2>,4|H<1>}	S(CN[6]N)	125.4075	0.409	2	124.9753	2.117	7	123.6997	2.042	31	124.2736	3.524	44	124.2999	3.312	99	124.2999	3.312	99
930	856	977	0:SP2_SP-NON_SP2	C	N[6]	S	3:3:1:	4:4:3:	3:	N[6]-3:N-3:S-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(N[6]C[6]2)(NC[6a]C)(S)	N[6](C[6]C[6]HH)2(CNS)	S(CN[6]N)	C(N[6]C[6]2)(NC[6a]C)(S)	N[6](C[6]C[6]HH)2(CNS){1|C<4>,4|H<1>}	S(CN[6]N)	124.1645	0.269	2	124.5053	0.406	4	123.6997	2.042	31	124.2736	3.524	44	124.2999	3.312	99	124.2999	3.312	99
930	856	977	0:SP2_SP-NON_SP2	C	N[6]	S	3:3:1:	4:4:3:	3:	N[6]-3:N-3:S-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(N[6]C[6]2)(NC[6a]C)(S)	N[6](C[6]C[6]HH)2(CNS)	S(CN[6]N)	C(N[6]C[6]2)(NC[6a]C)(S)	N[6](C[6]C[6]HH)2(CNS){1|O<2>,4|H<1>}	S(CN[6]N)	124.8460	0.826	2	124.5053	0.406	4	123.6997	2.042	31	124.2736	3.524	44	124.2999	3.312	99	124.2999	3.312	99
930	856	977	0:SP2_SP-NON_SP2	C	N[6]	S	3:3:1:	4:4:3:	3:	N[6]-3:N-3:S-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(N[6]C[6]2)(NC[6a]H)(S)	N[6](C[6]C[6]HH)2(CNS)	S(CN[6]N)	C(N[6]C[6]2)(NC[6a]H)(S)	N[6](C[6]C[6]HH)2(CNS){1|C<4>,4|H<1>}	S(CN[6]N)	122.4060	0.754	4	122.6527	0.340	13	123.6997	2.042	31	124.2736	3.524	44	124.2999	3.312	99	124.2999	3.312	99
930	856	977	0:SP2_SP-NON_SP2	C	N[6]	S	3:3:1:	4:4:3:	3:	N[6]-3:N-3:S-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(N[6]C[6]2)(NC[6a]H)(S)	N[6](C[6]C[6]HH)2(CNS)	S(CN[6]N)	C(N[6]C[6]2)(NC[6a]H)(S)	N[6](C[6]C[6]HH)2(CNS){1|N<3>,4|H<1>}	S(CN[6]N)	122.1630	0.000	1	122.6527	0.340	13	123.6997	2.042	31	124.2736	3.524	44	124.2999	3.312	99	124.2999	3.312	99
930	856	977	0:SP2_SP-NON_SP2	C	N[6]	S	3:3:1:	4:4:3:	3:	N[6]-3:N-3:S-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(N[6]C[6]2)(NC[6a]H)(S)	N[6](C[6]C[6]HH)2(CNS)	S(CN[6]N)	C(N[6]C[6]2)(NC[6a]H)(S)	N[6](C[6]C[6]HH)2(CNS){1|O<2>,4|H<1>}	S(CN[6]N)	122.9113	0.467	7	122.6527	0.340	13	123.6997	2.042	31	124.2736	3.524	44	124.2999	3.312	99	124.2999	3.312	99
930	856	977	0:SP2_SP-NON_SP2	C	N[6]	S	3:3:1:	4:4:3:	3:	N[6]-3:N-3:S-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(N[6]C[6]2)(NC[6a]H)(S)	N[6](C[6]C[6]HH)2(CNS)	S(CN[6]N)	C(N[6]C[6]2)(NC[6a]H)(S)	N[6](C[6]C[6]HH)2(CNS){1|S<2>,4|H<1>}	S(CN[6]N)	122.3190	0.000	1	122.6527	0.340	13	123.6997	2.042	31	124.2736	3.524	44	124.2999	3.312	99	124.2999	3.312	99
930	856	977	0:SP2_SP-NON_SP2	C	N[6]	S	3:3:1:	4:4:3:	3:	N[6]-3:N-3:S-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(N[6]C[6]2)(NHN)(S)	N[6](C[6]C[6]HH)2(CNS)	S(CN[6]N)	C(N[6]C[6]2)(NHN)(S)	N[6](C[6]C[6]HH)2(CNS){1|O<2>,4|H<1>}	S(CN[6]N)	123.8000	0.267	3	123.8000	0.071	3	123.6997	2.042	31	124.2736	3.524	44	124.2999	3.312	99	124.2999	3.312	99
930	856	977	0:SP2_SP-NON_SP2	C	N[6]	S	3:3:1:	4:4:3:	3:	N[6]-3:N[6]-3:S-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(N[6]C[6]2)2(S)	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CN[6]S)	S(CN[6]2)	C(N[6]C[6]2)2(S)	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CN[6]S){2|C<3>,2|H<1>}	S(CN[6]2)	121.5170	0.000	1	121.5170	0.000	1	121.5170	0.000	1	124.2736	3.524	44	124.2999	3.312	99	124.2999	3.312	99
930	856	977	0:SP2_SP-NON_SP2	C	N[6]	S	3:4:1:	4:4:3:	3:	N[6]-3:C-4:S-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(N[6]C[6]2)(CC[5]HH)(S)	N[6](C[6]C[6]HH)2(CCS)	S(CN[6]C)	C(N[6]C[6]2)(CC[5]HH)(S)	N[6](C[6]C[6]HH)2(CCS){1|C<4>,4|H<1>}	S(CN[6]C)	123.4610	0.672	2	123.4610	0.451	2	123.6100	1.601	4	123.6100	1.601	4	124.2999	3.312	99	124.2999	3.312	99
930	856	977	0:SP2_SP-NON_SP2	C	N[6]	S	3:4:1:	4:4:3:	3:	N[6]-3:C-4:S-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(N[6]C[6]2)(CC[6a]HH)(S)	N[6](C[6]C[6]HH)2(CCS)	S(CN[6]C)	C(N[6]C[6]2)(CC[6a]HH)(S)	N[6](C[6]C[6]HH)2(CCS){1|O<2>,4|H<1>}	S(CN[6]C)	123.7590	2.065	2	123.7590	4.263	2	123.6100	1.601	4	123.6100	1.601	4	124.2999	3.312	99	124.2999	3.312	99
930	856	977	0:SP2_SP-NON_SP2	C	N[6]	S	4:3:1:	4:4:3:	3:	C[5]-4:N[6]-3:S-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(C[5]C[5]2Fe)(N[6]C[6]2)(S)	N[6](C[6]C[6]HH)2(CC[5]S)	S(CC[5]N[6])	C(C[5]C[5]2Fe)(N[6]C[6]2)(S)	N[6](C[6]C[6]HH)2(CC[5]S){1|O<2>,4|H<1>}	S(CC[5]N[6])	122.3730	0.000	1	122.3730	0.000	1	122.3730	0.000	1	122.3215	0.005	2	124.2999	3.312	99	124.2999	3.312	99
930	856	977	0:SP2_SP-NON_SP2	C	N[6]	S	4:3:1:	4:4:3:	3:	C[6]-4:N[6]-3:S-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6]2H)(N[6]C[6]2)(S)	N[6](C[6]C[6]HH)2(CC[6]S)	S(CC[6]N[6])	C(C[6]C[6]2H)(N[6]C[6]2)(S)	N[6](C[6]C[6]HH)2(CC[6]S){1|O<2>,4|H<1>}	S(CC[6]N[6])	122.2700	0.000	1	122.2700	0.000	1	122.2700	0.000	1	122.3215	0.005	2	124.2999	3.312	99	124.2999	3.312	99
930	856	977	0:SP2_SP-NON_SP3	C	N[6]	S	3:2:1:	4:4:3:	3:	N[6]-3:N-2:S-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(N[6]C[6]2)(NN)(S)	N[6](C[6]C[6]HH)2(CNS)	S(CN[6]N)	C(N[6]C[6]2)(NN)(S)	N[6](C[6]C[6]HH)2(CNS){1|N<3>,4|H<1>}	S(CN[6]N)	119.9160	0.000	1	120.2495	0.222	2	120.2495	0.222	2	120.2495	0.222	2	120.2495	0.222	2	120.2495	0.222	2
930	856	977	0:SP2_SP-NON_SP3	C	N[6]	S	3:2:1:	4:4:3:	3:	N[6]-3:N-2:S-1:	C[6]-4:C[6]-4:C-3:	C-3:	C(N[6]C[6]2)(NN)(S)	N[6](C[6]C[6]HH)2(CNS)	S(CN[6]N)	C(N[6]C[6]2)(NN)(S)	N[6](C[6]C[6]HH)2(CNS){1|O<2>,4|H<1>}	S(CN[6]N)	120.5830	0.000	1	120.2495	0.222	2	120.2495	0.222	2	120.2495	0.222	2	120.2495	0.222	2	120.2495	0.222	2
930	856	983	0:SP2_SP1_SP2	C	N[6]	C	3:2:1:	4:4:3:	3:2:	N[6]-3:C-2:O-1:	C[6]-4:C[6]-4:C-3:	C-3:C-2:	C(N[6]C[6]2)(CC)(O)	N[6](C[6]C[6]HH)2(CCO)	C(CN[6]O)(CI)	C(N[6]C[6]2)(CC)(O)	N[6](C[6]C[6]HH)2(CCO){1|C<4>,4|H<1>}	C(CN[6]O)(CI)	117.2260	0.000	1	117.2050	0.001	2	116.6552	0.355	5	116.6552	0.355	5	117.0127	4.235	11	117.0127	4.235	11
930	856	983	0:SP2_SP1_SP2	C	N[6]	C	3:2:1:	4:4:3:	3:2:	N[6]-3:C-2:O-1:	C[6]-4:C[6]-4:C-3:	C-3:C-2:	C(N[6]C[6]2)(CC)(O)	N[6](C[6]C[6]HH)2(CCO)	C(CN[6]O)(CI)	C(N[6]C[6]2)(CC)(O)	N[6](C[6]C[6]HH)2(CCO){1|O<2>,4|H<1>}	C(CN[6]O)(CI)	117.1840	0.000	1	117.2050	0.001	2	116.6552	0.355	5	116.6552	0.355	5	117.0127	4.235	11	117.0127	4.235	11
930	856	983	0:SP2_SP1_SP2	C	N[6]	C	3:2:1:	4:4:3:	3:2:	N[6]-3:C-2:O-1:	C[6]-4:C[6]-4:C-3:	C-3:C-2:	C(N[6]C[6]2)(CC)(O)	N[6](C[6]C[6]HH)2(CCO)	C(CN[6]O)(CPd)	C(N[6]C[6]2)(CC)(O)	N[6](C[6]C[6]HH)2(CCO){1|C<4>,4|H<1>}	C(CN[6]O)(CPd)	115.7800	0.000	1	115.7800	0.000	1	116.6552	0.355	5	116.6552	0.355	5	117.0127	4.235	11	117.0127	4.235	11
930	856	983	0:SP2_SP1_SP2	C	N[6]	C	3:2:1:	4:4:3:	3:2:	N[6]-3:C-2:O-1:	C[6]-4:C[6]-4:C-3:	C-3:C-2:	C(N[6]C[6]2)(CC)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CCO)	C(CN[6]O)(CH)	C(N[6]C[6]2)(CC)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CCO){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C(CN[6]O)(CH)	116.4340	0.000	1	116.4340	0.000	1	116.6552	0.355	5	116.6552	0.355	5	117.0127	4.235	11	117.0127	4.235	11
930	856	983	0:SP2_SP1_SP2	C	N[6]	C	3:2:1:	4:4:3:	3:2:	N[6]-3:C-2:O-1:	C[6]-4:C[6]-4:C-3:	C-3:C-2:	C(N[6]C[6]2)(CC)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCO)	C(CN[6]O)(CH)	C(N[6]C[6]2)(CC)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCO){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C(CN[6]O)(CH)	116.6520	0.000	1	116.6520	0.000	1	116.6552	0.355	5	116.6552	0.355	5	117.0127	4.235	11	117.0127	4.235	11
930	856	983	0:SP2_SP1_SP2	C	N[6]	C	3:2:2:	4:4:3:	3:2:	N[6]-3:C-2:O-2:	C[6]-4:C[6]-4:C-3:	C-3:C-2:	C(N[6]C[6]2)(CC)(OC)	N[6](C[6]C[6]HH)2(CCO)	C(CN[6]O)(CPd)	C(N[6]C[6]2)(CC)(OC)	N[6](C[6]C[6]HH)2(CCO){1|C<4>,4|H<1>}	C(CN[6]O)(CPd)	122.3780	0.000	1	122.3780	0.000	1	122.3780	0.000	1	122.3780	0.000	1	117.0127	4.235	11	117.0127	4.235	11
930	856	983	0:SP2_SP1_SP2	C	N[6]	C	3:3:2:	3:3:3:	3:2:	N[6]-3:C-3:C-2:	C[6,6a]-3:C[6,6a]-3:C-3:	C-3:C-2:	C(N[6]C[6,6a]2)(CCl2)(CC)	N[6](C[6,6a]C[6,6a]C[6a])2(CCC)	C(CN[6]C)(CSi)	C(N[6]C[6,6a]2)(CCl2)(CC)	N[6](C[6,6a]C[6,6a]C[6a])2(CCC){1|S<2>,2|H<1>,4|C<3>}	C(CN[6]C)(CSi)	118.8190	0.000	1	118.8190	0.000	1	118.8190	0.000	1	118.8190	0.000	1	117.0127	4.235	11	117.0127	4.235	11
930	856	983	0:SP2_SP1_SP2	C	N[6]	C	3:3:2:	4:2:3:	3:1:	N[6]-3:C-3:C-2:	C[6]-4:N[6]-2:C-3:	C-3:N-1:	C(N[6]C[6]N[6])(CCH)(CN)	N[6](C[6]C[6,6a]HN)(N[6]C[6])(CCC)	C(CN[6]C)(N)	C(N[6]C[6]N[6])(CCH)(CN)	N[6](C[6]C[6,6a]HN)(N[6]C[6])(CCC){1|H<1>,2|C<3>}	C(CN[6]C)(N)	115.3860	0.000	1	115.3860	0.000	1	115.3860	0.000	1	115.3860	0.000	1	117.0127	4.235	11	117.0127	4.235	11
930	856	983	0:SP2_SP1_SP2	C	N[6]	C	3:3:2:	4:3:3:	3:1:	N[6]-3:C-3:C-2:	C[6]-4:C[6]-3:C-3:	C-3:N-1:	C(N[6]C[6]2)(CC[6a]H)(CN)	N[6](C[6]C[6]CH)(C[6]C[6]H)(CCC)	C(CN[6]C)(N)	C(N[6]C[6]2)(CC[6a]H)(CN)	N[6](C[6]C[6]CH)(C[6]C[6]H)(CCC){1|C<3>,2|H<1>}	C(CN[6]C)(N)	115.5080	0.000	1	115.5080	0.000	1	115.5080	0.000	1	115.5080	0.000	1	117.0127	4.235	11	117.0127	4.235	11
930	856	983	0:SP2_SP1_SP2	C	N[6]	C	3:3:2:	4:4:3:	3:1:	C[6a]-3:N[6]-3:C-2:	C[6]-4:C[6]-4:C-3:	C-3:N-1:	C(C[6a]C[6a]2)(N[6]C[6]2)(CN)	N[6](C[6]C[6]HH)2(CC[6a]C)	C(CC[6a]N[6])(N)	C(C[6a]C[6a]2)(N[6]C[6]2)(CN)	N[6](C[6]C[6]HH)2(CC[6a]C){1|C<4>,4|H<1>}	C(CC[6a]N[6])(N)	115.2570	0.000	1	115.2570	0.000	1	115.2570	0.000	1	115.2570	0.000	1	117.0127	4.235	11	117.0127	4.235	11
930	856	983	0:SP2_SP1_SP2	C	N[6]	C	3:3:2:	4:4:3:	3:2:	N[6]-3:C-3:C-2:	C[6]-4:C[6]-4:C-3:	C-3:C-2:	C(N[6]C[6]2)(CCH)(CC)	N[6](C[6]C[6]HH)2(CCC)	C(CN[6]C)(CC)	C(N[6]C[6]2)(CCH)(CC)	N[6](C[6]C[6]HH)2(CCC){1|O<2>,4|H<1>}	C(CN[6]C)(CC)	116.5160	0.000	1	116.5160	0.000	1	116.5160	0.000	1	116.5160	0.000	1	117.0127	4.235	11	117.0127	4.235	11
930	863	863	0:SP2_SP2_SP2	C	O	O	1:1:1:	3:	3:	H-1:O-1:O-1:	C-3:	C-3:	C(H)(O)2	O(CHO)	O(CHO)	C(H)(O)2	O(CHO)	O(CHO)	126.7439	1.453	53	126.7439	2.112	53	126.7439	2.112	53	122.9691	14.183	117	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	1:1:1:	3:	3:	O-1:O-1:O-1:	C-3:	C-3:	C(O)3	O(COO)	O(COO)	C(O)3	O(COO)	O(COO)	119.8430	1.568	64	119.8430	2.457	64	119.8430	2.457	64	122.9691	14.183	117	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	2:1:1:	3:	3:	C-2:O-1:O-1:	C-3:	C-3:	C(CC)(O)2	O(CCO)	O(CCO)	C(CC)(O)2	O(CCO)	O(CCO)	125.7316	1.779	29	125.7316	3.166	29	125.7316	3.166	29	125.2091	5.390	65	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	2:1:1:	3:	3:	O-2:O-1:O-1:	C-3:	C-3:	C(OC)(O)2	O(COO)	O(COO)	C(OC)(O)2	O(COO)	O(COO)	127.6485	0.931	4	127.6485	0.866	4	124.7882	6.914	36	125.2091	5.390	65	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	2:1:1:	3:	3:	O-2:O-1:O-1:	C-3:	C-3:	C(OH)(O)2	O(COO)	O(COO)	C(OH)(O)2	O(COO)	O(COO)	124.6388	2.307	31	124.6388	5.320	31	124.7882	6.914	36	125.2091	5.390	65	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	2:1:1:	3:	3:	O-2:O-1:O-1:	C-3:	C-3:	C(OPd)(O)2	O(COO)	O(COO)	C(OPd)(O)2	O(COO)	O(COO)	117.9790	0.000	1	117.9790	0.000	1	124.7882	6.914	36	125.2091	5.390	65	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	3:1:1:	3:	3:	C-3:O-1:O-1:	C-3:	C-3:	C(CCC)(O)2	O(CCO)	O(CCO)	C(CCC)(O)2	O(CCO)	O(CCO)	123.6318	2.286	11	123.6318	5.227	11	124.8463	3.693	751	124.6894	3.150	3945	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	3:1:1:	3:	3:	C-3:O-1:O-1:	C-3:	C-3:	C(CCH)(O)2	O(CCO)	O(CCO)	C(CCH)(O)2	O(CCO)	O(CCO)	123.4271	1.164	391	123.4271	1.355	391	124.8463	3.693	751	124.6894	3.150	3945	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	3:1:1:	3:	3:	C-3:O-1:O-1:	C-3:	C-3:	C(CCN)(O)2	O(CCO)	O(CCO)	C(CCN)(O)2	O(CCO)	O(CCO)	124.4430	1.925	2	124.4430	3.705	2	124.8463	3.693	751	124.6894	3.150	3945	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	3:1:1:	3:	3:	C-3:O-1:O-1:	C-3:	C-3:	C(CCO)(O)2	O(CCO)	O(CCO)	C(CCO)(O)2	O(CCO)	O(CCO)	125.4038	1.078	5	125.4038	1.163	5	124.8463	3.693	751	124.6894	3.150	3945	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	3:1:1:	3:	3:	C-3:O-1:O-1:	C-3:	C-3:	C(CC[5]C)(O)2	O(CCO)	O(CCO)	C(CC[5]C)(O)2	O(CCO)	O(CCO)	126.7330	0.000	1	126.7330	0.000	1	124.8463	3.693	751	124.6894	3.150	3945	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	3:1:1:	3:	3:	C-3:O-1:O-1:	C-3:	C-3:	C(CC[5]N)(O)2	O(CCO)	O(CCO)	C(CC[5]N)(O)2	O(CCO)	O(CCO)	128.3200	0.000	1	128.3200	0.000	1	124.8463	3.693	751	124.6894	3.150	3945	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	3:1:1:	3:	3:	C-3:O-1:O-1:	C-3:	C-3:	C(CC[6a]C[5])(O)2	O(CCO)	O(CCO)	C(CC[6a]C[5])(O)2	O(CCO)	O(CCO)	123.5125	0.052	2	123.5125	0.003	2	124.8463	3.693	751	124.6894	3.150	3945	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	3:1:1:	3:	3:	C-3:O-1:O-1:	C-3:	C-3:	C(CFF)(O)2	O(CCO)	O(CCO)	C(CFF)(O)2	O(CCO)	O(CCO)	133.5000	0.000	1	133.5000	0.000	1	124.8463	3.693	751	124.6894	3.150	3945	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	3:1:1:	3:	3:	C-3:O-1:O-1:	C-3:	C-3:	C(CNO)(O)2	O(CCO)	O(CCO)	C(CNO)(O)2	O(CCO)	O(CCO)	127.5547	0.441	8	127.5547	0.195	8	124.8463	3.693	751	124.6894	3.150	3945	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	3:1:1:	3:	3:	C-3:O-1:O-1:	C-3:	C-3:	C(CN[6]C)(O)2	O(CCO)	O(CCO)	C(CN[6]C)(O)2	O(CCO)	O(CCO)	127.1354	0.617	16	127.1354	0.381	16	124.8463	3.693	751	124.6894	3.150	3945	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	3:1:1:	3:	3:	C-3:O-1:O-1:	C-3:	C-3:	C(COO)(O)2	O(CCO)	O(CCO)	C(COO)(O)2	O(CCO)	O(CCO)	126.4289	1.048	312	126.4289	1.098	312	124.8463	3.693	751	124.6894	3.150	3945	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	3:1:1:	3:	3:	C-3:O-1:O-1:	C-3:	C-3:	C(CPP)(O)2	O(CCO)	O(CCO)	C(CPP)(O)2	O(CCO)	O(CCO)	127.7070	0.000	1	127.7070	0.000	1	124.8463	3.693	751	124.6894	3.150	3945	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	3:1:1:	3:	3:	C[5,6]-3:O-1:O-1:	C-3:	C-3:	C(C[5,6]C[5,5,6]C[5,6])(O)2	O(CC[5,6]O)	O(CC[5,6]O)	C(C[5,6]C[5,5,6]C[5,6])(O)2	O(CC[5,6]O)	O(CC[5,6]O)	126.4550	0.000	1	126.4550	0.000	1	126.4550	0.000	1	124.6894	3.150	3945	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	3:1:1:	3:	3:	C[5]-3:O-1:O-1:	C-3:	C-3:	C(C[5]C[5,5]N[5])(O)2	O(CC[5]O)	O(CC[5]O)	C(C[5]C[5,5]N[5])(O)2	O(CC[5]O)	O(CC[5]O)	125.0780	0.000	1	125.0780	0.000	1	126.8119	6.597	75	124.6894	3.150	3945	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	3:1:1:	3:	3:	C[5]-3:O-1:O-1:	C-3:	C-3:	C(C[5]C[5,6]N[5])(O)2	O(CC[5]O)	O(CC[5]O)	C(C[5]C[5,6]N[5])(O)2	O(CC[5]O)	O(CC[5]O)	131.8080	0.000	1	131.8080	0.000	1	126.8119	6.597	75	124.6894	3.150	3945	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	3:1:1:	3:	3:	C[5]-3:O-1:O-1:	C-3:	C-3:	C(C[5]C[5]2)(O)2	O(CC[5]O)	O(CC[5]O)	C(C[5]C[5]2)(O)2	O(CC[5]O)	O(CC[5]O)	123.9920	1.067	5	123.9920	1.139	5	126.8119	6.597	75	124.6894	3.150	3945	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	3:1:1:	3:	3:	C[5]-3:O-1:O-1:	C-3:	C-3:	C(C[5]C[5]N[5])(O)2	O(CC[5]O)	O(CC[5]O)	C(C[5]C[5]N[5])(O)2	O(CC[5]O)	O(CC[5]O)	125.9419	2.094	22	125.9419	4.387	22	126.8119	6.597	75	124.6894	3.150	3945	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	3:1:1:	3:	3:	C[5]-3:O-1:O-1:	C-3:	C-3:	C(C[5]C[5]S[5])(O)2	O(CC[5]O)	O(CC[5]O)	C(C[5]C[5]S[5])(O)2	O(CC[5]O)	O(CC[5]O)	125.2748	0.999	18	125.2748	0.998	18	126.8119	6.597	75	124.6894	3.150	3945	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	3:1:1:	3:	3:	C[5]-3:O-1:O-1:	C-3:	C-3:	C(C[5]N[4,5]C[5])(O)2	O(CC[5]O)	O(CC[5]O)	C(C[5]N[4,5]C[5])(O)2	O(CC[5]O)	O(CC[5]O)	126.1601	0.518	8	126.1601	0.269	8	126.8119	6.597	75	124.6894	3.150	3945	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	3:1:1:	3:	3:	C[5]-3:O-1:O-1:	C-3:	C-3:	C(C[5]N[5]2)(O)2	O(CC[5]O)	O(CC[5]O)	C(C[5]N[5]2)(O)2	O(CC[5]O)	O(CC[5]O)	129.9550	1.535	20	129.9550	2.355	20	126.8119	6.597	75	124.6894	3.150	3945	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	3:1:1:	3:	3:	C[5a]-3:O-1:O-1:	C-3:	C-3:	C(C[5a]C[5a,6a]C[5a])(O)2	O(CC[5a]O)	O(CC[5a]O)	C(C[5a]C[5a,6a]C[5a])(O)2	O(CC[5a]O)	O(CC[5a]O)	123.7230	0.259	2	123.7230	0.067	2	124.9339	1.400	118	124.6894	3.150	3945	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	3:1:1:	3:	3:	C[5a]-3:O-1:O-1:	C-3:	C-3:	C(C[5a]C[5a,6a]N[5a])(O)2	O(CC[5a]O)	O(CC[5a]O)	C(C[5a]C[5a,6a]N[5a])(O)2	O(CC[5a]O)	O(CC[5a]O)	125.3390	0.443	7	125.3390	0.197	7	124.9339	1.400	118	124.6894	3.150	3945	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	3:1:1:	3:	3:	C[5a]-3:O-1:O-1:	C-3:	C-3:	C(C[5a]C[5a]2)(O)2	O(CC[5a]O)	O(CC[5a]O)	C(C[5a]C[5a]2)(O)2	O(CC[5a]O)	O(CC[5a]O)	124.1112	1.626	8	124.1112	2.642	8	124.9339	1.400	118	124.6894	3.150	3945	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	3:1:1:	3:	3:	C[5a]-3:O-1:O-1:	C-3:	C-3:	C(C[5a]C[5a]N[5a])(O)2	O(CC[5a]O)	O(CC[5a]O)	C(C[5a]C[5a]N[5a])(O)2	O(CC[5a]O)	O(CC[5a]O)	124.9656	1.177	59	124.9656	1.386	59	124.9339	1.400	118	124.6894	3.150	3945	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	3:1:1:	3:	3:	C[5a]-3:O-1:O-1:	C-3:	C-3:	C(C[5a]C[5a]O[5a])(O)2	O(CC[5a]O)	O(CC[5a]O)	C(C[5a]C[5a]O[5a])(O)2	O(CC[5a]O)	O(CC[5a]O)	124.9481	0.979	14	124.9481	0.959	14	124.9339	1.400	118	124.6894	3.150	3945	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	3:1:1:	3:	3:	C[5a]-3:O-1:O-1:	C-3:	C-3:	C(C[5a]C[5a]S[5a])(O)2	O(CC[5a]O)	O(CC[5a]O)	C(C[5a]C[5a]S[5a])(O)2	O(CC[5a]O)	O(CC[5a]O)	125.0800	1.233	28	125.0800	1.520	28	124.9339	1.400	118	124.6894	3.150	3945	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	3:1:1:	3:	3:	C[6,6]-3:O-1:O-1:	C-3:	C-3:	C(C[6,6]C[3x6]C[6,6])(O)2	O(CC[6,6]O)	O(CC[6,6]O)	C(C[6,6]C[3x6]C[6,6])(O)2	O(CC[6,6]O)	O(CC[6,6]O)	125.3080	3.657	2	125.3080	13.375	2	125.3080	13.375	2	124.6894	3.150	3945	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	3:1:1:	3:	3:	C[6]-3:O-1:O-1:	C-3:	C-3:	C(C[6]C[5,6]C[6])(O)2	O(CC[6]O)	O(CC[6]O)	C(C[6]C[5,6]C[6])(O)2	O(CC[6]O)	O(CC[6]O)	122.6970	0.000	1	122.6970	0.000	1	126.0681	2.689	247	124.6894	3.150	3945	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	3:1:1:	3:	3:	C[6]-3:O-1:O-1:	C-3:	C-3:	C(C[6]C[5a,6]N[6])(O)2	O(CC[6]O)	O(CC[6]O)	C(C[6]C[5a,6]N[6])(O)2	O(CC[6]O)	O(CC[6]O)	127.7080	0.000	1	127.7080	0.000	1	126.0681	2.689	247	124.6894	3.150	3945	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	3:1:1:	3:	3:	C[6]-3:O-1:O-1:	C-3:	C-3:	C(C[6]C[6,6a]C[6])(O)2	O(CC[6]O)	O(CC[6]O)	C(C[6]C[6,6a]C[6])(O)2	O(CC[6]O)	O(CC[6]O)	126.3180	1.324	4	126.3180	1.754	4	126.0681	2.689	247	124.6894	3.150	3945	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	3:1:1:	3:	3:	C[6]-3:O-1:O-1:	C-3:	C-3:	C(C[6]C[6]2)(O)2	O(CC[6]O)	O(CC[6]O)	C(C[6]C[6]2)(O)2	O(CC[6]O)	O(CC[6]O)	125.5980	1.428	174	125.5980	2.040	174	126.0681	2.689	247	124.6894	3.150	3945	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	3:1:1:	3:	3:	C[6]-3:O-1:O-1:	C-3:	C-3:	C(C[6]C[6]N[6])(O)2	O(CC[6]O)	O(CC[6]O)	C(C[6]C[6]N[6])(O)2	O(CC[6]O)	O(CC[6]O)	127.4941	1.497	57	127.4941	2.241	57	126.0681	2.689	247	124.6894	3.150	3945	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	3:1:1:	3:	3:	C[6]-3:O-1:O-1:	C-3:	C-3:	C(C[6]N[4,6]C[6])(O)2	O(CC[6]O)	O(CC[6]O)	C(C[6]N[4,6]C[6])(O)2	O(CC[6]O)	O(CC[6]O)	126.0077	1.152	7	126.0077	1.326	7	126.0681	2.689	247	124.6894	3.150	3945	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	3:1:1:	3:	3:	C[6]-3:O-1:O-1:	C-3:	C-3:	C(C[6]N[5,6]C[6])(O)2	O(CC[6]O)	O(CC[6]O)	C(C[6]N[5,6]C[6])(O)2	O(CC[6]O)	O(CC[6]O)	126.6237	0.427	3	126.6237	0.182	3	126.0681	2.689	247	124.6894	3.150	3945	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	3:1:1:	3:	3:	C[6a]-3:O-1:O-1:	C-3:	C-3:	C(C[6a]C[5,6a]C[6a])(O)2	O(CC[6a]O)	O(CC[6a]O)	C(C[6a]C[5,6a]C[6a])(O)2	O(CC[6a]O)	O(CC[6a]O)	124.3790	0.550	3	124.3790	0.303	3	124.4469	2.548	2706	124.6894	3.150	3945	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	3:1:1:	3:	3:	C[6a]-3:O-1:O-1:	C-3:	C-3:	C(C[6a]C[5a,6a]C[6a])(O)2	O(CC[6a]O)	O(CC[6a]O)	C(C[6a]C[5a,6a]C[6a])(O)2	O(CC[6a]O)	O(CC[6a]O)	123.8483	0.703	4	123.8483	0.494	4	124.4469	2.548	2706	124.6894	3.150	3945	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	3:1:1:	3:	3:	C[6a]-3:O-1:O-1:	C-3:	C-3:	C(C[6a]C[6a,6a]2)(O)2	O(CC[6a]O)	O(CC[6a]O)	C(C[6a]C[6a,6a]2)(O)2	O(CC[6a]O)	O(CC[6a]O)	125.2494	0.835	14	125.2494	0.697	14	124.4469	2.548	2706	124.6894	3.150	3945	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	3:1:1:	3:	3:	C[6a]-3:O-1:O-1:	C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(O)2	O(CC[6a]O)	O(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(O)2	O(CC[6a]O)	O(CC[6a]O)	125.0079	0.897	27	125.0079	0.805	27	124.4469	2.548	2706	124.6894	3.150	3945	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	3:1:1:	3:	3:	C[6a]-3:O-1:O-1:	C-3:	C-3:	C(C[6a]C[6a]2)(O)2	O(CC[6a]O)	O(CC[6a]O)	C(C[6a]C[6a]2)(O)2	O(CC[6a]O)	O(CC[6a]O)	124.3419	1.558	2519	124.3419	2.427	2519	124.4469	2.548	2706	124.6894	3.150	3945	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	3:1:1:	3:	3:	C[6a]-3:O-1:O-1:	C-3:	C-3:	C(C[6a]C[6a]N[6a])(O)2	O(CC[6a]O)	O(CC[6a]O)	C(C[6a]C[6a]N[6a])(O)2	O(CC[6a]O)	O(CC[6a]O)	126.0730	1.474	124	126.0730	2.173	124	124.4469	2.548	2706	124.6894	3.150	3945	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	3:1:1:	3:	3:	C[6a]-3:O-1:O-1:	C-3:	C-3:	C(C[6a]C[6a]O[6a])(O)2	O(CC[6a]O)	O(CC[6a]O)	C(C[6a]C[6a]O[6a])(O)2	O(CC[6a]O)	O(CC[6a]O)	127.0567	0.581	15	127.0567	0.338	15	124.4469	2.548	2706	124.6894	3.150	3945	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	3:1:1:	3:	3:	N-3:O-1:O-1:	C-3:	C-3:	C(NCC)(O)2	O(CNO)	O(CNO)	C(NCC)(O)2	O(CNO)	O(CNO)	124.8521	2.491	8	124.8521	6.205	8	125.3292	7.979	33	124.6894	3.150	3945	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	3:1:1:	3:	3:	N-3:O-1:O-1:	C-3:	C-3:	C(NCH)(O)2	O(CNO)	O(CNO)	C(NCH)(O)2	O(CNO)	O(CNO)	123.5957	0.886	14	123.5957	0.785	14	125.3292	7.979	33	124.6894	3.150	3945	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	3:1:1:	3:	3:	N-3:O-1:O-1:	C-3:	C-3:	C(NC[5,5]H)(O)2	O(CNO)	O(CNO)	C(NC[5,5]H)(O)2	O(CNO)	O(CNO)	125.8480	0.000	1	125.8480	0.000	1	125.3292	7.979	33	124.6894	3.150	3945	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	3:1:1:	3:	3:	N-3:O-1:O-1:	C-3:	C-3:	C(NC[5]C)(O)2	O(CNO)	O(CNO)	C(NC[5]C)(O)2	O(CNO)	O(CNO)	130.4586	0.606	5	130.4586	0.367	5	125.3292	7.979	33	124.6894	3.150	3945	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	3:1:1:	3:	3:	N-3:O-1:O-1:	C-3:	C-3:	C(NC[5]H)(O)2	O(CNO)	O(CNO)	C(NC[5]H)(O)2	O(CNO)	O(CNO)	129.0940	0.000	1	129.0940	0.000	1	125.3292	7.979	33	124.6894	3.150	3945	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	3:1:1:	3:	3:	N-3:O-1:O-1:	C-3:	C-3:	C(NC[6]H)(O)2	O(CNO)	O(CNO)	C(NC[6]H)(O)2	O(CNO)	O(CNO)	123.2520	0.000	1	123.2520	0.000	1	125.3292	7.979	33	124.6894	3.150	3945	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	3:1:1:	3:	3:	N-3:O-1:O-1:	C-3:	C-3:	C(NC[6a]H)(O)2	O(CNO)	O(CNO)	C(NC[6a]H)(O)2	O(CNO)	O(CNO)	123.4610	0.000	1	123.4610	0.000	1	125.3292	7.979	33	124.6894	3.150	3945	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	3:1:1:	3:	3:	N-3:O-1:O-1:	C-3:	C-3:	C(NHN)(O)2	O(CNO)	O(CNO)	C(NHN)(O)2	O(CNO)	O(CNO)	126.3785	0.579	2	126.3785	0.335	2	125.3292	7.979	33	124.6894	3.150	3945	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	3:1:1:	3:	3:	N[6]-3:O-1:O-1:	C-3:	C-3:	C(N[6]C[5,6]C[6])(O)2	O(CN[6]O)	O(CN[6]O)	C(N[6]C[5,6]C[6])(O)2	O(CN[6]O)	O(CN[6]O)	132.1910	0.000	1	132.1910	0.000	1	125.0656	7.589	9	124.6894	3.150	3945	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	3:1:1:	3:	3:	N[6]-3:O-1:O-1:	C-3:	C-3:	C(N[6]C[6]2)(O)2	O(CN[6]O)	O(CN[6]O)	C(N[6]C[6]2)(O)2	O(CN[6]O)	O(CN[6]O)	124.1749	0.716	8	124.1749	0.513	8	125.0656	7.589	9	124.6894	3.150	3945	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	3:1:1:	3:	3:	O-3:O-1:O-1:	C-3:	C-3:	C(OMg2)(O)2	O(COO)	O(COO)	C(OMg2)(O)2	O(COO)	O(COO)	120.4120	0.000	1	120.4120	0.000	1	118.8120	2.157	3	124.6894	3.150	3945	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	3:1:1:	3:	3:	O-3:O-1:O-1:	C-3:	C-3:	C(ONi2)(O)2	O(COO)	O(COO)	C(ONi2)(O)2	O(COO)	O(COO)	118.0120	0.689	2	118.0120	0.474	2	118.8120	2.157	3	124.6894	3.150	3945	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	4:1:1:	3:	3:	C-4:O-1:O-1:	C-3:	C-3:	C(CBr2H)(O)2	O(CCO)	O(CCO)	C(CBr2H)(O)2	O(CCO)	O(CCO)	127.4590	0.000	1	127.4590	0.000	1	125.4850	3.996	2804	125.4356	3.908	3071	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	4:1:1:	3:	3:	C-4:O-1:O-1:	C-3:	C-3:	C(CBr3)(O)2	O(CCO)	O(CCO)	C(CBr3)(O)2	O(CCO)	O(CCO)	128.4407	1.014	3	128.4407	1.028	3	125.4850	3.996	2804	125.4356	3.908	3071	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	4:1:1:	3:	3:	C-4:O-1:O-1:	C-3:	C-3:	C(CBrCH)(O)2	O(CCO)	O(CCO)	C(CBrCH)(O)2	O(CCO)	O(CCO)	126.0083	0.258	3	126.0083	0.066	3	125.4850	3.996	2804	125.4356	3.908	3071	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	4:1:1:	3:	3:	C-4:O-1:O-1:	C-3:	C-3:	C(CBrHH)(O)2	O(CCO)	O(CCO)	C(CBrHH)(O)2	O(CCO)	O(CCO)	127.2030	0.000	1	127.2030	0.000	1	125.4850	3.996	2804	125.4356	3.908	3071	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	4:1:1:	3:	3:	C-4:O-1:O-1:	C-3:	C-3:	C(CC3)(O)2	O(CCO)	O(CCO)	C(CC3)(O)2	O(CCO)	O(CCO)	124.7040	0.810	14	124.7040	0.656	14	125.4850	3.996	2804	125.4356	3.908	3071	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	4:1:1:	3:	3:	C-4:O-1:O-1:	C-3:	C-3:	C(CCCH)(O)2	O(CCO)	O(CCO)	C(CCCH)(O)2	O(CCO)	O(CCO)	123.5223	1.546	20	123.5223	2.389	20	125.4850	3.996	2804	125.4356	3.908	3071	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	4:1:1:	3:	3:	C-4:O-1:O-1:	C-3:	C-3:	C(CCCN)(O)2	O(CCO)	O(CCO)	C(CCCN)(O)2	O(CCO)	O(CCO)	126.0313	0.758	12	126.0313	0.575	12	125.4850	3.996	2804	125.4356	3.908	3071	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	4:1:1:	3:	3:	C-4:O-1:O-1:	C-3:	C-3:	C(CCCO)(O)2	O(CCO)	O(CCO)	C(CCCO)(O)2	O(CCO)	O(CCO)	125.3313	0.866	15	125.3313	0.750	15	125.4850	3.996	2804	125.4356	3.908	3071	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	4:1:1:	3:	3:	C-4:O-1:O-1:	C-3:	C-3:	C(CCFF)(O)2	O(CCO)	O(CCO)	C(CCFF)(O)2	O(CCO)	O(CCO)	130.0127	1.721	7	130.0127	2.961	7	125.4850	3.996	2804	125.4356	3.908	3071	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	4:1:1:	3:	3:	C-4:O-1:O-1:	C-3:	C-3:	C(CCHH)(O)2	O(CCO)	O(CCO)	C(CCHH)(O)2	O(CCO)	O(CCO)	123.6280	1.351	500	123.6280	1.825	500	125.4850	3.996	2804	125.4356	3.908	3071	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	4:1:1:	3:	3:	C-4:O-1:O-1:	C-3:	C-3:	C(CCHN)(O)2	O(CCO)	O(CCO)	C(CCHN)(O)2	O(CCO)	O(CCO)	125.5927	1.055	732	125.5927	1.113	732	125.4850	3.996	2804	125.4356	3.908	3071	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	4:1:1:	3:	3:	C-4:O-1:O-1:	C-3:	C-3:	C(CCHO)(O)2	O(CCO)	O(CCO)	C(CCHO)(O)2	O(CCO)	O(CCO)	125.6685	1.111	279	125.6685	1.235	279	125.4850	3.996	2804	125.4356	3.908	3071	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	4:1:1:	3:	3:	C-4:O-1:O-1:	C-3:	C-3:	C(CCHS)(O)2	O(CCO)	O(CCO)	C(CCHS)(O)2	O(CCO)	O(CCO)	124.9190	0.675	2	124.9190	0.455	2	125.4850	3.996	2804	125.4356	3.908	3071	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	4:1:1:	3:	3:	C-4:O-1:O-1:	C-3:	C-3:	C(CCOP)(O)2	O(CCO)	O(CCO)	C(CCOP)(O)2	O(CCO)	O(CCO)	125.6240	0.000	1	125.6240	0.000	1	125.4850	3.996	2804	125.4356	3.908	3071	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	4:1:1:	3:	3:	C-4:O-1:O-1:	C-3:	C-3:	C(CC[5,6]HH)(O)2	O(CCO)	O(CCO)	C(CC[5,6]HH)(O)2	O(CCO)	O(CCO)	124.4840	0.000	1	124.4840	0.000	1	125.4850	3.996	2804	125.4356	3.908	3071	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	4:1:1:	3:	3:	C-4:O-1:O-1:	C-3:	C-3:	C(CC[5]CH)(O)2	O(CCO)	O(CCO)	C(CC[5]CH)(O)2	O(CCO)	O(CCO)	124.4750	0.000	1	124.4750	0.000	1	125.4850	3.996	2804	125.4356	3.908	3071	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	4:1:1:	3:	3:	C-4:O-1:O-1:	C-3:	C-3:	C(CC[5]CO)(O)2	O(CCO)	O(CCO)	C(CC[5]CO)(O)2	O(CCO)	O(CCO)	127.2030	0.475	2	127.2030	0.226	2	125.4850	3.996	2804	125.4356	3.908	3071	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	4:1:1:	3:	3:	C-4:O-1:O-1:	C-3:	C-3:	C(CC[5]HH)(O)2	O(CCO)	O(CCO)	C(CC[5]HH)(O)2	O(CCO)	O(CCO)	126.8137	2.404	9	126.8137	5.778	9	125.4850	3.996	2804	125.4356	3.908	3071	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	4:1:1:	3:	3:	C-4:O-1:O-1:	C-3:	C-3:	C(CC[5a]CH)(O)2	O(CCO)	O(CCO)	C(CC[5a]CH)(O)2	O(CCO)	O(CCO)	126.1690	0.337	2	126.1690	0.113	2	125.4850	3.996	2804	125.4356	3.908	3071	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	4:1:1:	3:	3:	C-4:O-1:O-1:	C-3:	C-3:	C(CC[5a]C[6]H)(O)2	O(CCO)	O(CCO)	C(CC[5a]C[6]H)(O)2	O(CCO)	O(CCO)	125.6810	0.000	1	125.6810	0.000	1	125.4850	3.996	2804	125.4356	3.908	3071	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	4:1:1:	3:	3:	C-4:O-1:O-1:	C-3:	C-3:	C(CC[5a]HH)(O)2	O(CCO)	O(CCO)	C(CC[5a]HH)(O)2	O(CCO)	O(CCO)	124.5437	1.469	7	124.5437	2.158	7	125.4850	3.996	2804	125.4356	3.908	3071	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	4:1:1:	3:	3:	C-4:O-1:O-1:	C-3:	C-3:	C(CC[6]CO)(O)2	O(CCO)	O(CCO)	C(CC[6]CO)(O)2	O(CCO)	O(CCO)	127.3870	0.946	2	127.3870	0.895	2	125.4850	3.996	2804	125.4356	3.908	3071	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	4:1:1:	3:	3:	C-4:O-1:O-1:	C-3:	C-3:	C(CC[6]HH)(O)2	O(CCO)	O(CCO)	C(CC[6]HH)(O)2	O(CCO)	O(CCO)	123.8957	1.454	14	123.8957	2.115	14	125.4850	3.996	2804	125.4356	3.908	3071	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	4:1:1:	3:	3:	C-4:O-1:O-1:	C-3:	C-3:	C(CC[6]HN)(O)2	O(CCO)	O(CCO)	C(CC[6]HN)(O)2	O(CCO)	O(CCO)	126.5790	0.000	1	126.5790	0.000	1	125.4850	3.996	2804	125.4356	3.908	3071	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	4:1:1:	3:	3:	C-4:O-1:O-1:	C-3:	C-3:	C(CC[6]HO)(O)2	O(CCO)	O(CCO)	C(CC[6]HO)(O)2	O(CCO)	O(CCO)	124.2760	0.000	1	124.2760	0.000	1	125.4850	3.996	2804	125.4356	3.908	3071	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	4:1:1:	3:	3:	C-4:O-1:O-1:	C-3:	C-3:	C(CC[6a]2H)(O)2	O(CCO)	O(CCO)	C(CC[6a]2H)(O)2	O(CCO)	O(CCO)	124.5162	0.420	6	124.5162	0.176	6	125.4850	3.996	2804	125.4356	3.908	3071	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	4:1:1:	3:	3:	C-4:O-1:O-1:	C-3:	C-3:	C(CC[6a]2O)(O)2	O(CCO)	O(CCO)	C(CC[6a]2O)(O)2	O(CCO)	O(CCO)	124.9104	1.049	11	124.9104	1.100	11	125.4850	3.996	2804	125.4356	3.908	3071	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	4:1:1:	3:	3:	C-4:O-1:O-1:	C-3:	C-3:	C(CC[6a]3)(O)2	O(CCO)	O(CCO)	C(CC[6a]3)(O)2	O(CCO)	O(CCO)	124.0343	0.905	11	124.0343	0.819	11	125.4850	3.996	2804	125.4356	3.908	3071	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	4:1:1:	3:	3:	C-4:O-1:O-1:	C-3:	C-3:	C(CC[6a]CH)(O)2	O(CCO)	O(CCO)	C(CC[6a]CH)(O)2	O(CCO)	O(CCO)	123.7514	1.125	16	123.7514	1.265	16	125.4850	3.996	2804	125.4356	3.908	3071	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	4:1:1:	3:	3:	C-4:O-1:O-1:	C-3:	C-3:	C(CC[6a]CN)(O)2	O(CCO)	O(CCO)	C(CC[6a]CN)(O)2	O(CCO)	O(CCO)	126.0970	0.000	1	126.0970	0.000	1	125.4850	3.996	2804	125.4356	3.908	3071	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	4:1:1:	3:	3:	C-4:O-1:O-1:	C-3:	C-3:	C(CC[6a]CO)(O)2	O(CCO)	O(CCO)	C(CC[6a]CO)(O)2	O(CCO)	O(CCO)	126.0509	0.612	7	126.0509	0.374	7	125.4850	3.996	2804	125.4356	3.908	3071	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	4:1:1:	3:	3:	C-4:O-1:O-1:	C-3:	C-3:	C(CC[6a]C[6]H)(O)2	O(CCO)	O(CCO)	C(CC[6a]C[6]H)(O)2	O(CCO)	O(CCO)	124.5790	0.000	1	124.5790	0.000	1	125.4850	3.996	2804	125.4356	3.908	3071	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	4:1:1:	3:	3:	C-4:O-1:O-1:	C-3:	C-3:	C(CC[6a]HH)(O)2	O(CCO)	O(CCO)	C(CC[6a]HH)(O)2	O(CCO)	O(CCO)	123.8806	0.971	94	123.8806	0.942	94	125.4850	3.996	2804	125.4356	3.908	3071	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	4:1:1:	3:	3:	C-4:O-1:O-1:	C-3:	C-3:	C(CC[6a]HN)(O)2	O(CCO)	O(CCO)	C(CC[6a]HN)(O)2	O(CCO)	O(CCO)	125.7633	0.758	7	125.7633	0.575	7	125.4850	3.996	2804	125.4356	3.908	3071	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	4:1:1:	3:	3:	C-4:O-1:O-1:	C-3:	C-3:	C(CC[6a]HO)(O)2	O(CCO)	O(CCO)	C(CC[6a]HO)(O)2	O(CCO)	O(CCO)	125.4126	1.219	74	125.4126	1.486	74	125.4850	3.996	2804	125.4356	3.908	3071	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	4:1:1:	3:	3:	C-4:O-1:O-1:	C-3:	C-3:	C(CCl2H)(O)2	O(CCO)	O(CCO)	C(CCl2H)(O)2	O(CCO)	O(CCO)	127.6017	1.097	18	127.6017	1.203	18	125.4850	3.996	2804	125.4356	3.908	3071	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	4:1:1:	3:	3:	C-4:O-1:O-1:	C-3:	C-3:	C(CCl3)(O)2	O(CCO)	O(CCO)	C(CCl3)(O)2	O(CCO)	O(CCO)	128.6982	1.038	53	128.6982	1.077	53	125.4850	3.996	2804	125.4356	3.908	3071	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	4:1:1:	3:	3:	C-4:O-1:O-1:	C-3:	C-3:	C(CClCH)(O)2	O(CCO)	O(CCO)	C(CClCH)(O)2	O(CCO)	O(CCO)	126.0213	0.561	3	126.0213	0.315	3	125.4850	3.996	2804	125.4356	3.908	3071	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	4:1:1:	3:	3:	C-4:O-1:O-1:	C-3:	C-3:	C(CClFF)(O)2	O(CCO)	O(CCO)	C(CClFF)(O)2	O(CCO)	O(CCO)	129.5118	1.220	5	129.5118	1.489	5	125.4850	3.996	2804	125.4356	3.908	3071	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	4:1:1:	3:	3:	C-4:O-1:O-1:	C-3:	C-3:	C(CClHH)(O)2	O(CCO)	O(CCO)	C(CClHH)(O)2	O(CCO)	O(CCO)	125.9900	0.743	10	125.9900	0.552	10	125.4850	3.996	2804	125.4356	3.908	3071	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	4:1:1:	3:	3:	C-4:O-1:O-1:	C-3:	C-3:	C(CF3)(O)2	O(CCO)	O(CCO)	C(CF3)(O)2	O(CCO)	O(CCO)	129.4987	1.165	196	129.4987	1.358	196	125.4850	3.996	2804	125.4356	3.908	3071	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	4:1:1:	3:	3:	C-4:O-1:O-1:	C-3:	C-3:	C(CFFH)(O)2	O(CCO)	O(CCO)	C(CFFH)(O)2	O(CCO)	O(CCO)	127.9965	1.568	2	127.9965	2.458	2	125.4850	3.996	2804	125.4356	3.908	3071	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	4:1:1:	3:	3:	C-4:O-1:O-1:	C-3:	C-3:	C(CFFP)(O)2	O(CCO)	O(CCO)	C(CFFP)(O)2	O(CCO)	O(CCO)	131.4360	0.000	1	131.4360	0.000	1	125.4850	3.996	2804	125.4356	3.908	3071	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	4:1:1:	3:	3:	C-4:O-1:O-1:	C-3:	C-3:	C(CFHH)(O)2	O(CCO)	O(CCO)	C(CFHH)(O)2	O(CCO)	O(CCO)	128.1000	0.000	1	128.1000	0.000	1	125.4850	3.996	2804	125.4356	3.908	3071	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	4:1:1:	3:	3:	C-4:O-1:O-1:	C-3:	C-3:	C(CFeCH)(O)2	O(CCO)	O(CCO)	C(CFeCH)(O)2	O(CCO)	O(CCO)	125.3360	0.000	1	125.3360	0.000	1	125.4850	3.996	2804	125.4356	3.908	3071	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	4:1:1:	3:	3:	C-4:O-1:O-1:	C-3:	C-3:	C(CH3)(O)2	O(CCO)	O(CCO)	C(CH3)(O)2	O(CCO)	O(CCO)	124.0488	2.407	173	124.0488	5.795	173	125.4850	3.996	2804	125.4356	3.908	3071	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	4:1:1:	3:	3:	C-4:O-1:O-1:	C-3:	C-3:	C(CHHN)(O)2	O(CCO)	O(CCO)	C(CHHN)(O)2	O(CCO)	O(CCO)	125.9354	1.066	254	125.9354	1.136	254	125.4850	3.996	2804	125.4356	3.908	3071	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	4:1:1:	3:	3:	C-4:O-1:O-1:	C-3:	C-3:	C(CHHO)(O)2	O(CCO)	O(CCO)	C(CHHO)(O)2	O(CCO)	O(CCO)	125.4903	0.911	88	125.4903	0.830	88	125.4850	3.996	2804	125.4356	3.908	3071	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	4:1:1:	3:	3:	C-4:O-1:O-1:	C-3:	C-3:	C(CHHP)(O)2	O(CCO)	O(CCO)	C(CHHP)(O)2	O(CCO)	O(CCO)	123.9575	0.670	2	123.9575	0.448	2	125.4850	3.996	2804	125.4356	3.908	3071	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	4:1:1:	3:	3:	C-4:O-1:O-1:	C-3:	C-3:	C(CHHS)(O)2	O(CCO)	O(CCO)	C(CHHS)(O)2	O(CCO)	O(CCO)	125.7905	1.177	26	125.7905	1.386	26	125.4850	3.996	2804	125.4356	3.908	3071	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	4:1:1:	3:	3:	C-4:O-1:O-1:	C-3:	C-3:	C(CHSS)(O)2	O(CCO)	O(CCO)	C(CHSS)(O)2	O(CCO)	O(CCO)	127.3790	0.728	3	127.3790	0.531	3	125.4850	3.996	2804	125.4356	3.908	3071	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	4:1:1:	3:	3:	C-4:O-1:O-1:	C-3:	C-3:	C(CN[3x6]HH)(O)2	O(CCO)	O(CCO)	C(CN[3x6]HH)(O)2	O(CCO)	O(CCO)	127.3501	0.466	7	127.3501	0.217	7	125.4850	3.996	2804	125.4356	3.908	3071	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	4:1:1:	3:	3:	C-4:O-1:O-1:	C-3:	C-3:	C(CN[5,5]HH)(O)2	O(CCO)	O(CCO)	C(CN[5,5]HH)(O)2	O(CCO)	O(CCO)	127.3620	0.000	1	127.3620	0.000	1	125.4850	3.996	2804	125.4356	3.908	3071	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	4:1:1:	3:	3:	C-4:O-1:O-1:	C-3:	C-3:	C(CN[5]2H)(O)2	O(CCO)	O(CCO)	C(CN[5]2H)(O)2	O(CCO)	O(CCO)	127.6510	0.000	1	127.6510	0.000	1	125.4850	3.996	2804	125.4356	3.908	3071	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	4:1:1:	3:	3:	C-4:O-1:O-1:	C-3:	C-3:	C(CN[5]CH)(O)2	O(CCO)	O(CCO)	C(CN[5]CH)(O)2	O(CCO)	O(CCO)	126.7740	0.559	7	126.7740	0.312	7	125.4850	3.996	2804	125.4356	3.908	3071	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	4:1:1:	3:	3:	C-4:O-1:O-1:	C-3:	C-3:	C(CN[5]HH)(O)2	O(CCO)	O(CCO)	C(CN[5]HH)(O)2	O(CCO)	O(CCO)	126.4614	0.927	28	126.4614	0.859	28	125.4850	3.996	2804	125.4356	3.908	3071	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	4:1:1:	3:	3:	C-4:O-1:O-1:	C-3:	C-3:	C(CN[5a]HH)(O)2	O(CCO)	O(CCO)	C(CN[5a]HH)(O)2	O(CCO)	O(CCO)	125.5810	1.111	14	125.5810	1.235	14	125.4850	3.996	2804	125.4356	3.908	3071	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	4:1:1:	3:	3:	C-4:O-1:O-1:	C-3:	C-3:	C(CN[6]CH)(O)2	O(CCO)	O(CCO)	C(CN[6]CH)(O)2	O(CCO)	O(CCO)	126.0240	1.081	18	126.0240	1.169	18	125.4850	3.996	2804	125.4356	3.908	3071	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	4:1:1:	3:	3:	C-4:O-1:O-1:	C-3:	C-3:	C(CN[6]HH)(O)2	O(CCO)	O(CCO)	C(CN[6]HH)(O)2	O(CCO)	O(CCO)	126.6889	0.779	23	126.6889	0.607	23	125.4850	3.996	2804	125.4356	3.908	3071	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	4:1:1:	3:	3:	C-4:O-1:O-1:	C-3:	C-3:	C(CN[6a]HH)(O)2	O(CCO)	O(CCO)	C(CN[6a]HH)(O)2	O(CCO)	O(CCO)	126.6508	0.659	10	126.6508	0.434	10	125.4850	3.996	2804	125.4356	3.908	3071	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	4:1:1:	3:	3:	C[3]-4:O-1:O-1:	C-3:	C-3:	C(C[3]C[3]2Br)(O)2	O(CC[3]O)	O(CC[3]O)	C(C[3]C[3]2Br)(O)2	O(CC[3]O)	O(CC[3]O)	125.0790	0.000	1	125.0790	0.000	1	123.7818	0.678	8	125.4356	3.908	3071	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	4:1:1:	3:	3:	C[3]-4:O-1:O-1:	C-3:	C-3:	C(C[3]C[3]2H)(O)2	O(CC[3]O)	O(CC[3]O)	C(C[3]C[3]2H)(O)2	O(CC[3]O)	O(CC[3]O)	123.4507	0.621	6	123.4507	0.385	6	123.7818	0.678	8	125.4356	3.908	3071	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	4:1:1:	3:	3:	C[3]-4:O-1:O-1:	C-3:	C-3:	C(C[3]C[6a]C[3]2)(O)2	O(CC[3]O)	O(CC[3]O)	C(C[3]C[6a]C[3]2)(O)2	O(CC[3]O)	O(CC[3]O)	124.4710	0.000	1	124.4710	0.000	1	123.7818	0.678	8	125.4356	3.908	3071	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	4:1:1:	3:	3:	C[3x6]-4:O-1:O-1:	C-3:	C-3:	C(C[3x6]C[6,6,6a]3)(O)2	O(CC[3x6]O)	O(CC[3x6]O)	C(C[3x6]C[6,6,6a]3)(O)2	O(CC[3x6]O)	O(CC[3x6]O)	124.2275	0.622	2	124.2275	0.386	2	123.3952	3.203	11	125.4356	3.908	3071	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	4:1:1:	3:	3:	C[3x6]-4:O-1:O-1:	C-3:	C-3:	C(C[3x6]C[6,6]3)(O)2	O(CC[3x6]O)	O(CC[3x6]O)	C(C[3x6]C[6,6]3)(O)2	O(CC[3x6]O)	O(CC[3x6]O)	123.2102	1.935	9	123.2102	3.744	9	123.3952	3.203	11	125.4356	3.908	3071	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	4:1:1:	3:	3:	C[4,5]-4:O-1:O-1:	C-3:	C-3:	C(C[4,5]C[5,6a]N[4,5]C[4])(O)2	O(CC[4,5]O)	O(CC[4,5]O)	C(C[4,5]C[5,6a]N[4,5]C[4])(O)2	O(CC[4,5]O)	O(CC[4,5]O)	126.9510	0.000	1	126.9510	0.000	1	126.9510	0.000	1	125.4356	3.908	3071	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	4:1:1:	3:	3:	C[4]-4:O-1:O-1:	C-3:	C-3:	C(C[4]C[4]2C)(O)2	O(CC[4]O)	O(CC[4]O)	C(C[4]C[4]2C)(O)2	O(CC[4]O)	O(CC[4]O)	124.4115	0.933	17	124.4115	0.870	17	124.3979	0.858	23	125.4356	3.908	3071	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	4:1:1:	3:	3:	C[4]-4:O-1:O-1:	C-3:	C-3:	C(C[4]C[4]2H)(O)2	O(CC[4]O)	O(CC[4]O)	C(C[4]C[4]2H)(O)2	O(CC[4]O)	O(CC[4]O)	124.0504	0.723	5	124.0504	0.523	5	124.3979	0.858	23	125.4356	3.908	3071	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	4:1:1:	3:	3:	C[4]-4:O-1:O-1:	C-3:	C-3:	C(C[4]C[4]2N)(O)2	O(CC[4]O)	O(CC[4]O)	C(C[4]C[4]2N)(O)2	O(CC[4]O)	O(CC[4]O)	125.9030	0.000	1	125.9030	0.000	1	124.3979	0.858	23	125.4356	3.908	3071	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	4:1:1:	3:	3:	C[5,5]-4:O-1:O-1:	C-3:	C-3:	C(C[5,5]C[3,5,5]C[3x5]N)(O)2	O(CC[5,5]O)	O(CC[5,5]O)	C(C[5,5]C[3,5,5]C[3x5]N)(O)2	O(CC[5,5]O)	O(CC[5,5]O)	125.4640	0.000	1	125.4640	0.000	1	126.8159	0.527	7	125.4356	3.908	3071	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	4:1:1:	3:	3:	C[5,5]-4:O-1:O-1:	C-3:	C-3:	C(C[5,5]C[5,5]O[5]2)(O)2	O(CC[5,5]O)	O(CC[5,5]O)	C(C[5,5]C[5,5]O[5]2)(O)2	O(CC[5,5]O)	O(CC[5,5]O)	127.0412	0.453	6	127.0412	0.206	6	126.8159	0.527	7	125.4356	3.908	3071	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	4:1:1:	3:	3:	C[5,6,6]-4:O-1:O-1:	C-3:	C-3:	C(C[5,6,6]C[5,6,6]C[5,6]C[6])(O)2	O(CC[5,6,6]O)	O(CC[5,6,6]O)	C(C[5,6,6]C[5,6,6]C[5,6]C[6])(O)2	O(CC[5,6,6]O)	O(CC[5,6,6]O)	126.8830	0.000	1	126.8830	0.000	1	126.8830	0.000	1	125.4356	3.908	3071	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	4:1:1:	3:	3:	C[5,6]-4:O-1:O-1:	C-3:	C-3:	C(C[5,6]C[5,5,6,6]C[6]N[5])(O)2	O(CC[5,6]O)	O(CC[5,6]O)	C(C[5,6]C[5,5,6,6]C[6]N[5])(O)2	O(CC[5,6]O)	O(CC[5,6]O)	125.4690	0.000	1	125.4690	0.000	1	125.2335	2.211	11	125.4356	3.908	3071	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	4:1:1:	3:	3:	C[5,6]-4:O-1:O-1:	C-3:	C-3:	C(C[5,6]C[5,5,6]C[5,6]C[5])(O)2	O(CC[5,6]O)	O(CC[5,6]O)	C(C[5,6]C[5,5,6]C[5,6]C[5])(O)2	O(CC[5,6]O)	O(CC[5,6]O)	126.4290	0.000	2	126.4290	0.000	2	125.2335	2.211	11	125.4356	3.908	3071	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	4:1:1:	3:	3:	C[5,6]-4:O-1:O-1:	C-3:	C-3:	C(C[5,6]C[5,5,6]C[5,6]H)(O)2	O(CC[5,6]O)	O(CC[5,6]O)	C(C[5,6]C[5,5,6]C[5,6]H)(O)2	O(CC[5,6]O)	O(CC[5,6]O)	124.3223	0.545	6	124.3223	0.297	6	125.2335	2.211	11	125.4356	3.908	3071	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	4:1:1:	3:	3:	C[5,6]-4:O-1:O-1:	C-3:	C-3:	C(C[5,6]C[6,6a]N[5,6]S[5])(O)2	O(CC[5,6]O)	O(CC[5,6]O)	C(C[5,6]C[6,6a]N[5,6]S[5])(O)2	O(CC[5,6]O)	O(CC[5,6]O)	128.7390	0.000	1	128.7390	0.000	1	125.2335	2.211	11	125.4356	3.908	3071	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	4:1:1:	3:	3:	C[5,6]-4:O-1:O-1:	C-3:	C-3:	C(C[5,6]O[5,6]C[5]C[6])(O)2	O(CC[5,6]O)	O(CC[5,6]O)	C(C[5,6]O[5,6]C[5]C[6])(O)2	O(CC[5,6]O)	O(CC[5,6]O)	124.5690	0.000	1	124.5690	0.000	1	125.2335	2.211	11	125.4356	3.908	3071	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	4:1:1:	3:	3:	C[5]-4:O-1:O-1:	C-3:	C-3:	C(C[5]C[3,5]C[5]N)(O)2	O(CC[5]O)	O(CC[5]O)	C(C[5]C[3,5]C[5]N)(O)2	O(CC[5]O)	O(CC[5]O)	126.8240	0.000	1	126.8240	0.000	1	125.5768	2.173	118	125.4356	3.908	3071	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	4:1:1:	3:	3:	C[5]-4:O-1:O-1:	C-3:	C-3:	C(C[5]C[3,5]N[5]H)(O)2	O(CC[5]O)	O(CC[5]O)	C(C[5]C[3,5]N[5]H)(O)2	O(CC[5]O)	O(CC[5]O)	125.5050	0.000	1	125.5050	0.000	1	125.5768	2.173	118	125.4356	3.908	3071	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	4:1:1:	3:	3:	C[5]-4:O-1:O-1:	C-3:	C-3:	C(C[5]C[5,5]C[5]H)(O)2	O(CC[5]O)	O(CC[5]O)	C(C[5]C[5,5]C[5]H)(O)2	O(CC[5]O)	O(CC[5]O)	124.3347	1.797	3	124.3347	3.228	3	125.5768	2.173	118	125.4356	3.908	3071	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	4:1:1:	3:	3:	C[5]-4:O-1:O-1:	C-3:	C-3:	C(C[5]C[5,6a]C[5]H)(O)2	O(CC[5]O)	O(CC[5]O)	C(C[5]C[5,6a]C[5]H)(O)2	O(CC[5]O)	O(CC[5]O)	126.7740	0.000	1	126.7740	0.000	1	125.5768	2.173	118	125.4356	3.908	3071	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	4:1:1:	3:	3:	C[5]-4:O-1:O-1:	C-3:	C-3:	C(C[5]C[5]2Co)(O)2	O(CC[5]O)	O(CC[5]O)	C(C[5]C[5]2Co)(O)2	O(CC[5]O)	O(CC[5]O)	126.9060	0.921	3	126.9060	0.848	3	125.5768	2.173	118	125.4356	3.908	3071	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	4:1:1:	3:	3:	C[5]-4:O-1:O-1:	C-3:	C-3:	C(C[5]C[5]2Fe)(O)2	O(CC[5]O)	O(CC[5]O)	C(C[5]C[5]2Fe)(O)2	O(CC[5]O)	O(CC[5]O)	124.1912	0.921	25	124.1912	0.849	25	125.5768	2.173	118	125.4356	3.908	3071	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	4:1:1:	3:	3:	C[5]-4:O-1:O-1:	C-3:	C-3:	C(C[5]C[5]2H)(O)2	O(CC[5]O)	O(CC[5]O)	C(C[5]C[5]2H)(O)2	O(CC[5]O)	O(CC[5]O)	123.7300	1.349	5	123.7300	1.821	5	125.5768	2.173	118	125.4356	3.908	3071	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	4:1:1:	3:	3:	C[5]-4:O-1:O-1:	C-3:	C-3:	C(C[5]C[5]2N)(O)2	O(CC[5]O)	O(CC[5]O)	C(C[5]C[5]2N)(O)2	O(CC[5]O)	O(CC[5]O)	126.8735	0.023	2	126.8735	0.001	2	125.5768	2.173	118	125.4356	3.908	3071	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	4:1:1:	3:	3:	C[5]-4:O-1:O-1:	C-3:	C-3:	C(C[5]C[5]2O)(O)2	O(CC[5]O)	O(CC[5]O)	C(C[5]C[5]2O)(O)2	O(CC[5]O)	O(CC[5]O)	128.3180	0.000	1	128.3180	0.000	1	125.5768	2.173	118	125.4356	3.908	3071	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	4:1:1:	3:	3:	C[5]-4:O-1:O-1:	C-3:	C-3:	C(C[5]C[5]N[5]H)(O)2	O(CC[5]O)	O(CC[5]O)	C(C[5]C[5]N[5]H)(O)2	O(CC[5]O)	O(CC[5]O)	126.0031	1.232	62	126.0031	1.518	62	125.5768	2.173	118	125.4356	3.908	3071	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	4:1:1:	3:	3:	C[5]-4:O-1:O-1:	C-3:	C-3:	C(C[5]C[5]N[5]O)(O)2	O(CC[5]O)	O(CC[5]O)	C(C[5]C[5]N[5]O)(O)2	O(CC[5]O)	O(CC[5]O)	129.3530	0.000	1	129.3530	0.000	1	125.5768	2.173	118	125.4356	3.908	3071	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	4:1:1:	3:	3:	C[5]-4:O-1:O-1:	C-3:	C-3:	C(C[5]C[5]O[5]C)(O)2	O(CC[5]O)	O(CC[5]O)	C(C[5]C[5]O[5]C)(O)2	O(CC[5]O)	O(CC[5]O)	125.6485	0.463	2	125.6485	0.215	2	125.5768	2.173	118	125.4356	3.908	3071	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	4:1:1:	3:	3:	C[5]-4:O-1:O-1:	C-3:	C-3:	C(C[5]C[5]O[5]H)(O)2	O(CC[5]O)	O(CC[5]O)	C(C[5]C[5]O[5]H)(O)2	O(CC[5]O)	O(CC[5]O)	125.5020	0.254	3	125.5020	0.065	3	125.5768	2.173	118	125.4356	3.908	3071	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	4:1:1:	3:	3:	C[5]-4:O-1:O-1:	C-3:	C-3:	C(C[5]C[5a]C[5]2)(O)2	O(CC[5]O)	O(CC[5]O)	C(C[5]C[5a]C[5]2)(O)2	O(CC[5]O)	O(CC[5]O)	125.7785	0.596	2	125.7785	0.355	2	125.5768	2.173	118	125.4356	3.908	3071	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	4:1:1:	3:	3:	C[5]-4:O-1:O-1:	C-3:	C-3:	C(C[5]C[6a]C[5]2)(O)2	O(CC[5]O)	O(CC[5]O)	C(C[5]C[6a]C[5]2)(O)2	O(CC[5]O)	O(CC[5]O)	124.6510	0.000	1	124.6510	0.000	1	125.5768	2.173	118	125.4356	3.908	3071	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	4:1:1:	3:	3:	C[5]-4:O-1:O-1:	C-3:	C-3:	C(C[5]N[4,5]C[5]H)(O)2	O(CC[5]O)	O(CC[5]O)	C(C[5]N[4,5]C[5]H)(O)2	O(CC[5]O)	O(CC[5]O)	125.9910	0.000	1	125.9910	0.000	1	125.5768	2.173	118	125.4356	3.908	3071	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	4:1:1:	3:	3:	C[5]-4:O-1:O-1:	C-3:	C-3:	C(C[5]N[5,5,6]C[5]H)(O)2	O(CC[5]O)	O(CC[5]O)	C(C[5]N[5,5,6]C[5]H)(O)2	O(CC[5]O)	O(CC[5]O)	126.9210	0.000	1	126.9210	0.000	1	125.5768	2.173	118	125.4356	3.908	3071	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	4:1:1:	3:	3:	C[5]-4:O-1:O-1:	C-3:	C-3:	C(C[5]N[5,6a]C[5]H)(O)2	O(CC[5]O)	O(CC[5]O)	C(C[5]N[5,6a]C[5]H)(O)2	O(CC[5]O)	O(CC[5]O)	127.1340	0.000	1	127.1340	0.000	1	125.5768	2.173	118	125.4356	3.908	3071	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	4:1:1:	3:	3:	C[5]-4:O-1:O-1:	C-3:	C-3:	C(C[5]N[5]2H)(O)2	O(CC[5]O)	O(CC[5]O)	C(C[5]N[5]2H)(O)2	O(CC[5]O)	O(CC[5]O)	127.0665	1.010	2	127.0665	1.021	2	125.5768	2.173	118	125.4356	3.908	3071	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	4:1:1:	3:	3:	C[6,6]-4:O-1:O-1:	C-3:	C-3:	C(C[6,6]C[3x6]C[6,6]H)(O)2	O(CC[6,6]O)	O(CC[6,6]O)	C(C[6,6]C[3x6]C[6,6]H)(O)2	O(CC[6,6]O)	O(CC[6,6]O)	123.6919	0.624	11	123.6919	0.389	11	123.6743	0.357	12	125.4356	3.908	3071	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	4:1:1:	3:	3:	C[6,6]-4:O-1:O-1:	C-3:	C-3:	C(C[6,6]C[4,6,6]C[6,6]O)(O)2	O(CC[6,6]O)	O(CC[6,6]O)	C(C[6,6]C[4,6,6]C[6,6]O)(O)2	O(CC[6,6]O)	O(CC[6,6]O)	123.4810	0.000	1	123.4810	0.000	1	123.6743	0.357	12	125.4356	3.908	3071	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	4:1:1:	3:	3:	C[6]-4:O-1:O-1:	C-3:	C-3:	C(C[6]C[5,6]C[6,6]H)(O)2	O(CC[6]O)	O(CC[6]O)	C(C[6]C[5,6]C[6,6]H)(O)2	O(CC[6]O)	O(CC[6]O)	124.4920	0.000	1	124.4920	0.000	1	124.2072	2.404	73	125.4356	3.908	3071	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	4:1:1:	3:	3:	C[6]-4:O-1:O-1:	C-3:	C-3:	C(C[6]C[5,6]C[6]C)(O)2	O(CC[6]O)	O(CC[6]O)	C(C[6]C[5,6]C[6]C)(O)2	O(CC[6]O)	O(CC[6]O)	124.3390	0.000	1	124.3390	0.000	1	124.2072	2.404	73	125.4356	3.908	3071	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	4:1:1:	3:	3:	C[6]-4:O-1:O-1:	C-3:	C-3:	C(C[6]C[5,6]C[6]H)(O)2	O(CC[6]O)	O(CC[6]O)	C(C[6]C[5,6]C[6]H)(O)2	O(CC[6]O)	O(CC[6]O)	124.6735	1.322	4	124.6735	1.747	4	124.2072	2.404	73	125.4356	3.908	3071	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	4:1:1:	3:	3:	C[6]-4:O-1:O-1:	C-3:	C-3:	C(C[6]C[6,6]C[6]C)(O)2	O(CC[6]O)	O(CC[6]O)	C(C[6]C[6,6]C[6]C)(O)2	O(CC[6]O)	O(CC[6]O)	122.6217	0.515	3	122.6217	0.265	3	124.2072	2.404	73	125.4356	3.908	3071	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	4:1:1:	3:	3:	C[6]-4:O-1:O-1:	C-3:	C-3:	C(C[6]C[6]2C)(O)2	O(CC[6]O)	O(CC[6]O)	C(C[6]C[6]2C)(O)2	O(CC[6]O)	O(CC[6]O)	123.7915	1.576	4	123.7915	2.484	4	124.2072	2.404	73	125.4356	3.908	3071	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	4:1:1:	3:	3:	C[6]-4:O-1:O-1:	C-3:	C-3:	C(C[6]C[6]2Cr)(O)2	O(CC[6]O)	O(CC[6]O)	C(C[6]C[6]2Cr)(O)2	O(CC[6]O)	O(CC[6]O)	126.1560	0.000	1	126.1560	0.000	1	124.2072	2.404	73	125.4356	3.908	3071	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	4:1:1:	3:	3:	C[6]-4:O-1:O-1:	C-3:	C-3:	C(C[6]C[6]2H)(O)2	O(CC[6]O)	O(CC[6]O)	C(C[6]C[6]2H)(O)2	O(CC[6]O)	O(CC[6]O)	123.4045	0.898	41	123.4045	0.807	41	124.2072	2.404	73	125.4356	3.908	3071	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	4:1:1:	3:	3:	C[6]-4:O-1:O-1:	C-3:	C-3:	C(C[6]C[6]2N)(O)2	O(CC[6]O)	O(CC[6]O)	C(C[6]C[6]2N)(O)2	O(CC[6]O)	O(CC[6]O)	126.9260	0.436	2	126.9260	0.190	2	124.2072	2.404	73	125.4356	3.908	3071	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	4:1:1:	3:	3:	C[6]-4:O-1:O-1:	C-3:	C-3:	C(C[6]C[6]2O)(O)2	O(CC[6]O)	O(CC[6]O)	C(C[6]C[6]2O)(O)2	O(CC[6]O)	O(CC[6]O)	125.4980	0.000	1	125.4980	0.000	1	124.2072	2.404	73	125.4356	3.908	3071	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	4:1:1:	3:	3:	C[6]-4:O-1:O-1:	C-3:	C-3:	C(C[6]C[6]2Ru)(O)2	O(CC[6]O)	O(CC[6]O)	C(C[6]C[6]2Ru)(O)2	O(CC[6]O)	O(CC[6]O)	125.4650	0.000	1	125.4650	0.000	1	124.2072	2.404	73	125.4356	3.908	3071	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	4:1:1:	3:	3:	C[6]-4:O-1:O-1:	C-3:	C-3:	C(C[6]C[6]N[6]C)(O)2	O(CC[6]O)	O(CC[6]O)	C(C[6]C[6]N[6]C)(O)2	O(CC[6]O)	O(CC[6]O)	126.1887	0.325	3	126.1887	0.106	3	124.2072	2.404	73	125.4356	3.908	3071	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	4:1:1:	3:	3:	C[6]-4:O-1:O-1:	C-3:	C-3:	C(C[6]C[6]N[6]H)(O)2	O(CC[6]O)	O(CC[6]O)	C(C[6]C[6]N[6]H)(O)2	O(CC[6]O)	O(CC[6]O)	126.6286	1.020	7	126.6286	1.041	7	124.2072	2.404	73	125.4356	3.908	3071	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	4:1:1:	3:	3:	C[6]-4:O-1:O-1:	C-3:	C-3:	C(C[6]C[6]O[6]C)(O)2	O(CC[6]O)	O(CC[6]O)	C(C[6]C[6]O[6]C)(O)2	O(CC[6]O)	O(CC[6]O)	123.1690	0.000	1	123.1690	0.000	1	124.2072	2.404	73	125.4356	3.908	3071	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	4:1:1:	3:	3:	C[6]-4:O-1:O-1:	C-3:	C-3:	C(C[6]C[6]O[6]H)(O)2	O(CC[6]O)	O(CC[6]O)	C(C[6]C[6]O[6]H)(O)2	O(CC[6]O)	O(CC[6]O)	125.9603	0.426	3	125.9603	0.182	3	124.2072	2.404	73	125.4356	3.908	3071	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	4:1:1:	3:	3:	P-4:O-1:O-1:	C-3:	C-3:	C(PCNN)(O)2	O(COP)	O(COP)	C(PCNN)(O)2	O(COP)	O(COP)	129.6130	0.000	1	129.6130	0.000	1	127.8390	6.294	2	125.4356	3.908	3071	124.9845	3.871	7198	124.9845	3.871	7198
930	863	863	0:SP2_SP2_SP2	C	O	O	4:1:1:	3:	3:	P-4:O-1:O-1:	C-3:	C-3:	C(PO3)(O)2	O(COP)	O(COP)	C(PO3)(O)2	O(COP)	O(COP)	126.0650	0.000	1	126.0650	0.000	1	127.8390	6.294	2	125.4356	3.908	3071	124.9845	3.871	7198	124.9845	3.871	7198
930	863	871	0:SP2_SP2_SP3	C	O	O	4:3:1:	3:	3:3:1:	C-4:O-3:O-1:	C-3:	C-3:O-3:H-1:	C(CH3)(OHO)(O)	O(CCO)	O(CCO)(OCH)(H)	C(CH3)(OHO)(O)	O(CCO)	O(CCO)(OCH)(H)	124.1550	0.000	1	124.1550	0.000	1	124.1550	0.000	1	124.1550	0.000	1	113.9210	209.470	2	113.9210	209.470	2
930	863	871	0:SP2_SP2_SP3	C	O	O	4:3:1:	3:	4:3:2:	C-4:O-3:O-1:	C-3:	C-4:C-3:H-2:	C(CH3)(OCH)(O)	O(CCO)	O(CCHH)(CCO)(HO)	C(CH3)(OCH)(O)	O(CCO)	O(CCHH)(CCO)(HO)	103.6870	0.000	1	103.6870	0.000	1	103.6870	0.000	1	103.6870	0.000	1	113.9210	209.470	2	113.9210	209.470	2
930	863	874	0:SP2_SP2_SP3	C	O	B[6]	3:4:1:	3:	2:2:3:1:	C[6a]-3:B[6]-4:O-1:	C-3:	O[6]-2:O[6]-2:C-3:F-1:	C(C[6a]C[6a]2)(B[6]O[6]2F)(O)	O(CC[6a]B[6])	B[6](O[6]C[6,6a])(O[6]N[6,6])(CC[6a]O)(F)	C(C[6a]C[6a]2)(B[6]O[6]2F)(O)	O(CC[6a]B[6])	B[6](O[6]C[6,6a])(O[6]N[6,6])(CC[6a]O)(F){3|C<3>}	116.7690	0.000	1	116.7690	0.000	1	116.7690	0.000	1	116.7690	0.000	1	119.7411	3.947	9	119.7411	3.947	9
930	863	874	0:SP2_SP2_SP3	C	O	B[6]	4:3:1:	3:	3:2:3:1:	B[6]-4:C[6a]-3:O-1:	C-3:	N[6,6]-3:O[6]-2:C-3:F-1:	C(B[6]N[6,6]O[6]F)(C[6a]C[6a]2)(O)	O(CC[6a]B[6])	B[6](N[6,6]C[6,6,6a]C[6])(O[6]C[6,6a])(CC[6a]O)(F)	C(B[6]N[6,6]O[6]F)(C[6a]C[6a]2)(O)	O(CC[6a]B[6])	B[6](N[6,6]C[6,6,6a]C[6])(O[6]C[6,6a])(CC[6a]O)(F){1|H<1>,4|C<3>}	120.5500	0.000	1	120.5500	0.000	1	120.6026	1.366	7	120.1126	3.091	8	119.7411	3.947	9	119.7411	3.947	9
930	863	874	0:SP2_SP2_SP3	C	O	B[6]	4:3:1:	3:	3:2:3:1:	B[6]-4:C[6a]-3:O-1:	C-3:	N[6,6]-3:O[6]-2:C-3:F-1:	C(B[6]N[6,6]O[6]F)(C[6a]C[6a]2)(O)	O(CC[6a]B[6])	B[6](N[6,6]C[6,6]C[6])(O[6]C[6,6a])(CC[6a]O)(F)	C(B[6]N[6,6]O[6]F)(C[6a]C[6a]2)(O)	O(CC[6a]B[6])	B[6](N[6,6]C[6,6]C[6])(O[6]C[6,6a])(CC[6a]O)(F){1|C<4>,4|C<3>}	118.3930	0.000	1	120.4076	1.737	5	120.6026	1.366	7	120.1126	3.091	8	119.7411	3.947	9	119.7411	3.947	9
930	863	874	0:SP2_SP2_SP3	C	O	B[6]	4:3:1:	3:	3:2:3:1:	B[6]-4:C[6a]-3:O-1:	C-3:	N[6,6]-3:O[6]-2:C-3:F-1:	C(B[6]N[6,6]O[6]F)(C[6a]C[6a]2)(O)	O(CC[6a]B[6])	B[6](N[6,6]C[6,6]C[6])(O[6]C[6,6a])(CC[6a]O)(F)	C(B[6]N[6,6]O[6]F)(C[6a]C[6a]2)(O)	O(CC[6a]B[6])	B[6](N[6,6]C[6,6]C[6])(O[6]C[6,6a])(CC[6a]O)(F){1|H<1>,4|C<3>}	120.9112	0.791	4	120.4076	1.737	5	120.6026	1.366	7	120.1126	3.091	8	119.7411	3.947	9	119.7411	3.947	9
930	863	874	0:SP2_SP2_SP3	C	O	B[6]	4:3:1:	3:	3:2:3:1:	B[6]-4:C[6a]-3:O-1:	C-3:	N[6,6]-3:O[6]-2:C-3:F-1:	C(B[6]N[6,6]O[6]F)(C[6a]C[6a]2)(O)	O(CC[6a]B[6])	B[6](N[6,6]C[6,6]C[6])(O[6]N[6])(CC[6a]O)(F)	C(B[6]N[6,6]O[6]F)(C[6a]C[6a]2)(O)	O(CC[6a]B[6])	B[6](N[6,6]C[6,6]C[6])(O[6]N[6])(CC[6a]O)(F){1|C<4>,1|H<1>,3|C<3>}	121.6300	0.000	1	121.6300	0.000	1	120.6026	1.366	7	120.1126	3.091	8	119.7411	3.947	9	119.7411	3.947	9
930	863	874	0:SP2_SP2_SP3	C	O	B[6]	4:3:1:	3:	3:2:3:1:	B[6]-4:C[6a]-3:O-1:	C-3:	N[6]-3:O[6]-2:C-3:F-1:	C(B[6]N[6]O[6]F)(C[6a]C[6a]2)(O)	O(CC[6a]B[6])	B[6](N[6]C[6a]C[6])(O[6]C[6,6a])(CC[6a]O)(F)	C(B[6]N[6]O[6]F)(C[6a]C[6a]2)(O)	O(CC[6a]B[6])	B[6](N[6]C[6a]C[6])(O[6]C[6,6a])(CC[6a]O)(F){1|H<1>,4|C<3>}	116.6830	0.000	1	116.6830	0.000	1	116.6830	0.000	1	120.1126	3.091	8	119.7411	3.947	9	119.7411	3.947	9
930	863	880	0:SP2_SP2_SP3	C	O	Si	3:4:1:	3:	3:4:4:4:	C[5]-3:Si-4:O-1:	C-3:	C-3:C-4:C-4:C-4:	C(C[5]C[5,5]C[5])(SiC3)(O)	O(CC[5]Si)	Si(CC[5]O)(CC3)(CH3)2	C(C[5]C[5,5]C[5])(SiC3)(O)	O(CC[5]Si)	Si(CC[5]O)(CC3)(CH3)2	115.6420	0.000	1	115.6420	0.000	1	117.1530	3.679	3	117.1530	3.679	3	117.1530	3.679	3	117.1530	3.679	3
930	863	880	0:SP2_SP2_SP3	C	O	Si	3:4:1:	3:	3:4:4:4:	C[5]-3:Si-4:O-1:	C-3:	C-3:C-4:C-4:C-4:	C(C[5]C[5,6]C[5])(SiC3)(O)	O(CC[5]Si)	Si(CC[5]O)(CC3)(CH3)2	C(C[5]C[5,6]C[5])(SiC3)(O)	O(CC[5]Si)	Si(CC[5]O)(CC3)(CH3)2	116.5060	0.000	1	116.5060	0.000	1	117.1530	3.679	3	117.1530	3.679	3	117.1530	3.679	3	117.1530	3.679	3
930	863	880	0:SP2_SP2_SP3	C	O	Si	3:4:1:	3:	3:4:4:4:	C[5]-3:Si-4:O-1:	C-3:	C-3:C-4:C-4:C-4:	C(C[5]C[5,6]C[5])(SiC3)(O)	O(CC[5]Si)	Si(CC[5]O)(CCHH)3	C(C[5]C[5,6]C[5])(SiC3)(O)	O(CC[5]Si)	Si(CC[5]O)(CCHH)3	119.3110	0.000	1	119.3110	0.000	1	117.1530	3.679	3	117.1530	3.679	3	117.1530	3.679	3	117.1530	3.679	3
930	863	882	0:SP2_SP2_SP3	C	O	P[4]	3:3:1:	3:	4:3:3:	P[4]-3:C-3:O-1:	C-3:	C[4]-4:C[4]-3:C-3:	C(P[4]C[4]2)(CCC)(O)	O(CP[4]C)	P[4](C[4]C[4]CH)(C[4]C[4]O)(CCO)	C(P[4]C[4]2)(CCC)(O)	O(CP[4]C)	P[4](C[4]C[4]CH)(C[4]C[4]O)(CCO){1|C<4>,1|H<1>}	119.5430	0.000	1	119.5430	0.000	1	119.5430	0.000	1	119.5430	0.000	1	119.5430	0.000	1	119.5430	0.000	1
930	863	892	0:SP2_SP2_SP3	C	O	N	3:4:1:	3:	3:3:1:1:	C[6a]-3:N-4:O-1:	C-3:	C[6a]-3:C-3:H-1:H-1:	C(C[6a]C[6a]2)(NC[6a]HH)(O)	O(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]O)(H)2	C(C[6a]C[6a]2)(NC[6a]HH)(O)	O(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]O)(H)2	121.0880	0.000	1	121.0880	0.000	1	121.0880	0.000	1	121.0880	0.000	1	121.1969	11.848	7	121.1969	11.848	7
930	863	892	0:SP2_SP2_SP3	C	O	N	3:4:1:	3:	4:3:1:1:	C[5a]-3:N-4:O-1:	C-3:	C-4:C-3:H-1:H-1:	C(C[5a]C[5a]N[5a])(NCHH)(O)	O(CC[5a]N)	N(CC[5]HH)(CC[5a]O)(H)2	C(C[5a]C[5a]N[5a])(NCHH)(O)	O(CC[5a]N)	N(CC[5]HH)(CC[5a]O)(H)2	123.0170	0.000	1	123.0170	0.000	1	123.0170	0.000	1	123.0170	0.000	1	121.1969	11.848	7	121.1969	11.848	7
930	863	892	0:SP2_SP2_SP3	C	O	N	4:2:1:	3:	4:3:1:1:	N-4:N-2:O-1:	C-3:	C-4:C-3:H-1:H-1:	C(NCHH)(NC)(O)	O(CNN)	N(CCCH)(CNO)(H)2	C(NCHH)(NC)(O)	O(CNN)	N(CCCH)(CNO)(H)2	124.2460	0.000	1	124.2460	0.000	1	124.2460	0.000	1	124.2460	0.000	1	121.1969	11.848	7	121.1969	11.848	7
930	863	892	0:SP2_SP2_SP3	C	O	N	4:2:1:	3:	4:4:4:3:	N-4:O-2:O-1:	C-3:	C-4:C-4:C-4:C-3:	C(NC3)(OB)(O)	O(CNO)	N(CC[6a]HH)(CH3)2(COO)	C(NC3)(OB)(O)	O(CNO)	N(CC[6a]HH)(CH3)2(COO)	118.0420	0.000	1	118.0420	0.000	1	118.0420	0.000	1	118.0420	0.000	1	121.1969	11.848	7	121.1969	11.848	7
930	863	892	0:SP2_SP2_SP3	C	O	N	4:3:1:	3:	4:4:3:1:	N-4:N-3:O-1:	C-3:	C-4:C-4:C-3:H-1:	C(NCCH)(NCC)(O)	O(CNN)	N(CCHH)2(CNO)(H)	C(NCCH)(NCC)(O)	O(CNN)	N(CCHH)2(CNO)(H)	115.2200	0.000	1	115.2200	0.000	1	115.2200	0.000	1	115.2200	0.000	1	121.1969	11.848	7	121.1969	11.848	7
930	863	892	0:SP2_SP2_SP3	C	O	N	4:4:1:	3:	3:1:1:1:	C-4:N-4:O-1:	C-3:	C-3:H-1:H-1:H-1:	C(CC[6a]C[5]C)(NH3)(O)	O(CCN)	N(CCO)(H)3	C(CC[6a]C[5]C)(NH3)(O)	O(CCN)	N(CCO)(H)3	122.1110	0.000	1	122.1110	0.000	1	122.1110	0.000	1	122.1110	0.000	1	121.1969	11.848	7	121.1969	11.848	7
930	863	892	0:SP2_SP2_SP3	C	O	N	4:4:1:	3:	4:3:1:1:	C-4:N-4:O-1:	C-3:	C-4:C-3:H-1:H-1:	C(CC[6]HH)(NCHH)(O)	O(CCN)	N(CC3)(CCO)(H)2	C(CC[6]HH)(NCHH)(O)	O(CCN)	N(CC3)(CCO)(H)2	124.6540	0.000	1	124.6540	0.000	1	124.6540	0.000	1	124.6540	0.000	1	121.1969	11.848	7	121.1969	11.848	7
930	863	893	0:SP2_SP2_SP2	C	O	O	2:1:1:	3:	3:1:	O-2:H-1:O-1:	C-3:	C-3:H-1:	C(OH)(H)(O)	O(CHO)	O(CHO)(H)	C(OH)(H)(O)	O(CHO)	O(CHO)(H)	124.8588	1.704	33	124.8588	2.904	33	124.8588	2.904	33	120.1684	16.773	95	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:1:1:	3:	3:1:	O-2:O-1:O-1:	C-3:	C-3:H-1:	C(OH)(O)2	O(COO)	O(COO)(H)	C(OH)(O)2	O(COO)	O(COO)(H)	117.6719	2.467	62	117.6719	6.087	62	117.6719	6.087	62	120.1684	16.773	95	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:1:1:	3:	3:3:	O-2:C-1:O-1:	C-3:	C[5]-3:C-3:	C(OC[5])(C)(O)	O(CCO)	O(C[5]C[5]N[5])(CCO)	C(OC[5])(C)(O)	O(CCO)	O(C[5]C[5]N[5])(CCO)	123.6390	0.000	1	123.6390	0.000	1	123.6390	0.000	1	124.9377	7.199	3	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:1:1:	3:	3:3:	O-2:H-1:O-1:	C-3:	Ge[6]-3:C-3:	C(OGe[6])(H)(O)	O(CHO)	O(Ge[6]N[6]2)(CHO)	C(OGe[6])(H)(O)	O(CHO)	O(Ge[6]N[6]2)(CHO)	128.0230	0.000	1	128.0230	0.000	1	128.0230	0.000	1	124.9377	7.199	3	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:1:1:	3:	3:3:	O-2:H-1:O-1:	C-3:	P[5]-3:C-3:	C(OP[5])(H)(O)	O(CHO)	O(P[5]C[5,6a]N[5])(CHO)	C(OP[5])(H)(O)	O(CHO)	O(P[5]C[5,6a]N[5])(CHO)	123.1510	0.000	1	123.1510	0.000	1	123.1510	0.000	1	124.9377	7.199	3	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:1:1:	3:	4:3:	O-2:C-1:O-1:	C-3:	C-4:C-3:	C(OC)(C)(O)	O(CCO)	O(CCHH)(CCO)	C(OC)(C)(O)	O(CCO)	O(CCHH)(CCO)	110.6570	0.000	1	110.6570	0.000	1	110.6570	0.000	1	123.8703	17.870	52	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:1:1:	3:	4:3:	O-2:Cl-1:O-1:	C-3:	C-4:C-3:	C(OC)(Cl)(O)	O(CClO)	O(CCl3)(CClO)	C(OC)(Cl)(O)	O(CClO)	O(CCl3)(CClO)	127.8560	0.000	1	127.8560	0.000	1	127.8560	0.000	1	123.8703	17.870	52	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:1:1:	3:	4:3:	O-2:Cl-1:O-1:	C-3:	S-4:C-3:	C(OS)(Cl)(O)	O(CClO)	O(SCOO)(CClO)	C(OS)(Cl)(O)	O(CClO)	O(SCOO)(CClO)	125.7040	0.747	2	125.7040	0.558	2	125.7040	0.558	2	123.8703	17.870	52	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:1:1:	3:	4:3:	O-2:F-1:O-1:	C-3:	S-4:C-3:	C(OS)(F)(O)	O(CFO)	O(SCOO)(CFO)	C(OS)(F)(O)	O(CFO)	O(SCOO)(CFO)	128.0030	0.000	1	128.0030	0.000	1	128.0030	0.000	1	123.8703	17.870	52	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:1:1:	3:	4:3:	O-2:H-1:O-1:	C-3:	B-4:C-3:	C(OB)(H)(O)	O(CHO)	O(BC[6a]2H)(CHO)	C(OB)(H)(O)	O(CHO)	O(BC[6a]2H)(CHO)	123.1280	0.000	1	123.1280	0.000	1	124.0166	1.993	5	123.8703	17.870	52	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:1:1:	3:	4:3:	O-2:H-1:O-1:	C-3:	B-4:C-3:	C(OB)(H)(O)	O(CHO)	O(BC[6a]3)(CHO)	C(OB)(H)(O)	O(CHO)	O(BC[6a]3)(CHO)	123.8910	0.000	1	123.8910	0.000	1	124.0166	1.993	5	123.8703	17.870	52	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:1:1:	3:	4:3:	O-2:H-1:O-1:	C-3:	B-4:C-3:	C(OB)(H)(O)	O(CHO)	O(BO3)(CHO)	C(OB)(H)(O)	O(CHO)	O(BO3)(CHO)	124.3547	1.847	3	124.3547	3.412	3	124.0166	1.993	5	123.8703	17.870	52	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:1:1:	3:	4:3:	O-2:H-1:O-1:	C-3:	B[5]-4:C-3:	C(OB[5])(H)(O)	O(CHO)	O(B[5]O[5]2O)(CHO)	C(OB[5])(H)(O)	O(CHO)	O(B[5]O[5]2O)(CHO)	123.9275	0.603	2	123.9275	0.364	2	123.9275	0.364	2	123.8703	17.870	52	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:1:1:	3:	4:3:	O-2:H-1:O-1:	C-3:	B[6,6]-4:C-3:	C(OB[6,6])(H)(O)	O(CHO)	O(B[6,6]C[6,6]2O)(CHO)	C(OB[6,6])(H)(O)	O(CHO)	O(B[6,6]C[6,6]2O)(CHO)	125.1735	1.248	2	125.1735	1.558	2	125.1735	1.558	2	123.8703	17.870	52	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:1:1:	3:	4:3:	O-2:H-1:O-1:	C-3:	B[6]-4:C-3:	C(OB[6])(H)(O)	O(CHO)	O(B[6]C[6,6a]2C[6a])(CHO)	C(OB[6])(H)(O)	O(CHO)	O(B[6]C[6,6a]2C[6a])(CHO)	124.7130	0.000	1	124.7130	0.000	1	124.7130	0.000	1	123.8703	17.870	52	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:1:1:	3:	4:3:	O-2:H-1:O-1:	C-3:	C-4:C-3:	C(OC)(H)(O)	O(CHO)	O(CCCH)(CHO)	C(OC)(H)(O)	O(CHO)	O(CCCH)(CHO)	125.4553	0.584	8	125.4553	0.341	8	125.7313	0.570	18	123.8703	17.870	52	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:1:1:	3:	4:3:	O-2:H-1:O-1:	C-3:	C-4:C-3:	C(OC)(H)(O)	O(CHO)	O(CCHH)(CHO)	C(OC)(H)(O)	O(CHO)	O(CCHH)(CHO)	126.0103	1.106	6	126.0103	1.224	6	125.7313	0.570	18	123.8703	17.870	52	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:1:1:	3:	4:3:	O-2:H-1:O-1:	C-3:	C-4:C-3:	C(OC)(H)(O)	O(CHO)	O(CC[5]CH)(CHO)	C(OC)(H)(O)	O(CHO)	O(CC[5]CH)(CHO)	126.0220	0.000	1	126.0220	0.000	1	125.7313	0.570	18	123.8703	17.870	52	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:1:1:	3:	4:3:	O-2:H-1:O-1:	C-3:	C-4:C-3:	C(OC)(H)(O)	O(CHO)	O(CC[6]HH)(CHO)	C(OC)(H)(O)	O(CHO)	O(CC[6]HH)(CHO)	125.8000	0.000	1	125.8000	0.000	1	125.7313	0.570	18	123.8703	17.870	52	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:1:1:	3:	4:3:	O-2:H-1:O-1:	C-3:	C-4:C-3:	C(OC)(H)(O)	O(CHO)	O(CC[6a]CH)(CHO)	C(OC)(H)(O)	O(CHO)	O(CC[6a]CH)(CHO)	125.7740	0.000	1	125.7740	0.000	1	125.7313	0.570	18	123.8703	17.870	52	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:1:1:	3:	4:3:	O-2:H-1:O-1:	C-3:	C-4:C-3:	C(OC)(H)(O)	O(CHO)	O(CC[6a]HH)(CHO)	C(OC)(H)(O)	O(CHO)	O(CC[6a]HH)(CHO)	125.8630	0.000	1	125.8630	0.000	1	125.7313	0.570	18	123.8703	17.870	52	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:1:1:	3:	4:3:	O-2:H-1:O-1:	C-3:	C[5,6,6]-4:C-3:	C(OC[5,6,6])(H)(O)	O(CHO)	O(C[5,6,6]C[5,6,6]C[5,6]C[6])(CHO)	C(OC[5,6,6])(H)(O)	O(CHO)	O(C[5,6,6]C[5,6,6]C[5,6]C[6])(CHO)	125.5710	0.000	1	125.5710	0.000	1	125.5710	0.000	1	123.8703	17.870	52	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:1:1:	3:	4:3:	O-2:H-1:O-1:	C-3:	C[5]-4:C-3:	C(OC[5])(H)(O)	O(CHO)	O(C[5]C[5,6a]C[5]C)(CHO)	C(OC[5])(H)(O)	O(CHO)	O(C[5]C[5,6a]C[5]C)(CHO)	125.9380	0.000	2	125.9380	0.000	2	125.9380	0.000	2	123.8703	17.870	52	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:1:1:	3:	4:3:	O-2:H-1:O-1:	C-3:	C[6]-4:C-3:	C(OC[6])(H)(O)	O(CHO)	O(C[6]C[5,6]C[6]H)(CHO)	C(OC[6])(H)(O)	O(CHO)	O(C[6]C[5,6]C[6]H)(CHO)	126.6905	1.040	2	126.6905	1.082	2	126.2947	0.701	8	123.8703	17.870	52	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:1:1:	3:	4:3:	O-2:H-1:O-1:	C-3:	C[6]-4:C-3:	C(OC[6])(H)(O)	O(CHO)	O(C[6]C[6,6]C[6]H)(CHO)	C(OC[6])(H)(O)	O(CHO)	O(C[6]C[6,6]C[6]H)(CHO)	125.9775	0.268	2	125.9775	0.072	2	126.2947	0.701	8	123.8703	17.870	52	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:1:1:	3:	4:3:	O-2:H-1:O-1:	C-3:	C[6]-4:C-3:	C(OC[6])(H)(O)	O(CHO)	O(C[6]C[6]2C)(CHO)	C(OC[6])(H)(O)	O(CHO)	O(C[6]C[6]2C)(CHO)	127.6980	0.000	1	127.6980	0.000	1	126.2947	0.701	8	123.8703	17.870	52	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:1:1:	3:	4:3:	O-2:H-1:O-1:	C-3:	C[6]-4:C-3:	C(OC[6])(H)(O)	O(CHO)	O(C[6]C[6]2H)(CHO)	C(OC[6])(H)(O)	O(CHO)	O(C[6]C[6]2H)(CHO)	125.7747	0.479	3	125.7747	0.230	3	126.2947	0.701	8	123.8703	17.870	52	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:1:1:	3:	4:3:	O-2:O-1:O-1:	C-3:	C-4:C-3:	C(OC)(O)2	O(COO)	O(CCHH)(COO)	C(OC)(O)2	O(COO)	O(CCHH)(COO)	116.3865	3.518	6	116.3865	12.374	6	116.1706	10.387	8	123.8703	17.870	52	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:1:1:	3:	4:3:	O-2:O-1:O-1:	C-3:	C-4:C-3:	C(OC)(O)2	O(COO)	O(CH3)(COO)	C(OC)(O)2	O(COO)	O(CH3)(COO)	115.5230	3.118	2	115.5230	9.724	2	116.1706	10.387	8	123.8703	17.870	52	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:1:1:	3:	5:3:	O-2:H-1:O-1:	C-3:	Nb[6]-5:C-3:	C(ONb[6])(H)(O)	O(CHO)	O(Nb[6]N[6]2NN)(CHO)	C(ONb[6])(H)(O)	O(CHO)	O(Nb[6]N[6]2NN)(CHO)	128.3770	1.852	3	128.3770	3.432	3	128.3770	3.432	3	128.3770	3.432	3	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:1:1:	3:	6:3:	O-2:H-1:O-1:	C-3:	In[5,5]-6:C-3:	C(OIn[5,5])(H)(O)	O(CHO)	O(In[5,5]O[5]4O)(CHO)	C(OIn[5,5])(H)(O)	O(CHO)	O(In[5,5]O[5]4O)(CHO)	125.4555	1.727	2	125.4555	2.984	2	125.4555	2.984	2	125.4555	2.984	2	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	2:3:	N-2:O-2:O-1:	C-3:	C-2:C-3:	C(NC[6])(OC)(O)	O(CNO)	O(CC[6])(CNO)	C(NC[6])(OC)(O)	O(CNO)	O(CC[6])(CNO)	122.5460	0.000	1	122.5460	0.000	1	122.5460	0.000	1	125.8377	8.143	3	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	2:3:	O-2:O-2:O-1:	C-3:	N-2:C-3:	C(OC[6a])(ON)(O)	O(COO)	O(NC[6])(COO)	C(OC[6a])(ON)(O)	O(COO)	O(NC[6])(COO)	127.4835	0.180	2	127.4835	0.033	2	127.4835	0.033	2	125.8377	8.143	3	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	3:1:	C-2:O-2:O-1:	C-3:	C-3:H-1:	C(CC)(OH)(O)	O(CCO)	O(CCO)(H)	C(CC)(OH)(O)	O(CCO)	O(CCO)(H)	124.4354	1.038	29	124.4354	1.078	29	124.4354	1.078	29	123.7871	3.529	34	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	3:1:	O-2:O-2:O-1:	C-3:	C-3:H-1:	C(OCu)(OH)(O)	O(COO)	O(COO)(H)	C(OCu)(OH)(O)	O(COO)	O(COO)(H)	121.1900	0.000	1	121.1900	0.000	1	120.0266	0.847	5	123.7871	3.529	34	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	3:1:	O-2:O-2:O-1:	C-3:	C-3:H-1:	C(ONi)(OH)(O)	O(COO)	O(COO)(H)	C(ONi)(OH)(O)	O(COO)	O(COO)(H)	119.0400	0.000	1	119.0400	0.000	1	120.0266	0.847	5	123.7871	3.529	34	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	3:1:	O-2:O-2:O-1:	C-3:	C-3:H-1:	C(OPd)(OH)(O)	O(COO)	O(COO)(H)	C(OPd)(OH)(O)	O(COO)	O(COO)(H)	119.9677	0.725	3	119.9677	0.526	3	120.0266	0.847	5	123.7871	3.529	34	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	3:2:	O-2:O-2:O-1:	C-3:	C-3:N-2:	C(OC)(ON)(O)	O(COO)	O(COO)(NC)	C(OC)(ON)(O)	O(COO)	O(COO)(NC)	126.5784	1.600	5	126.5784	2.561	5	126.9916	2.217	7	126.9916	2.217	7	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	3:2:	O-2:O-2:O-1:	C-3:	C-3:N-2:	C(OC[6a])(ON)(O)	O(COO)	O(COO)(NC)	C(OC[6a])(ON)(O)	O(COO)	O(COO)(NC)	128.0245	0.268	2	128.0245	0.072	2	126.9916	2.217	7	126.9916	2.217	7	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	3:3:	N-2:O-2:O-1:	C-3:	C-3:C-3:	C(NC[5])(OC)(O)	O(CNO)	O(CC[5]H)(CNO)	C(NC[5])(OC)(O)	O(CNO)	O(CC[5]H)(CNO)	124.6350	0.000	1	124.6350	0.000	1	124.0880	0.598	2	125.5379	5.315	99	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	3:3:	N-2:O-2:O-1:	C-3:	C-3:C-3:	C(NC[6])(OC)(O)	O(CNO)	O(CCN)(CNO)	C(NC[6])(OC)(O)	O(CNO)	O(CCN)(CNO)	123.5410	0.000	1	123.5410	0.000	1	124.0880	0.598	2	125.5379	5.315	99	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	3:3:	N-2:O-2:O-1:	C-3:	C[6a]-3:C-3:	C(NC[6a])(OC[6a])(O)	O(CNO)	O(C[6a]C[6a]2)(CNO)	C(NC[6a])(OC[6a])(O)	O(CNO)	O(C[6a]C[6a]2)(CNO)	123.0570	0.000	1	123.0570	0.000	1	123.0570	0.000	1	125.5379	5.315	99	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	3:3:	N-2:O-2:O-1:	C-3:	N[6]-3:C-3:	C(NC[6])(ON[6])(O)	O(CNO)	O(N[6]C[6]2)(CNO)	C(NC[6])(ON[6])(O)	O(CNO)	O(N[6]C[6]2)(CNO)	115.9350	0.000	1	115.9350	0.000	1	115.9350	0.000	1	125.5379	5.315	99	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	3:3:	O-2:C-2:O-1:	C-3:	C[6a]-3:C-3:	C(OC[6a])(CC)(O)	O(CCO)	O(C[6a]C[6a]2)(CCO)	C(OC[6a])(CC)(O)	O(CCO)	O(C[6a]C[6a]2)(CCO)	124.7067	0.600	4	124.7067	0.360	4	124.7067	0.360	4	125.5379	5.315	99	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	3:3:	O-2:O-2:O-1:	C-3:	C-3:C-3:	C(OC)2(O)	O(COO)	O(CCC)(COO)	C(OC)2(O)	O(COO)	O(CCC)(COO)	125.1560	0.000	1	125.1560	0.000	1	122.3193	29.186	6	125.5379	5.315	99	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	3:3:	O-2:O-2:O-1:	C-3:	C-3:C-3:	C(OC)2(O)	O(COO)	O(CCN)(COO)	C(OC)2(O)	O(COO)	O(CCN)(COO)	126.7725	0.071	2	126.7725	0.005	2	122.3193	29.186	6	125.5379	5.315	99	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	3:3:	O-2:O-2:O-1:	C-3:	C-3:C-3:	C(OC)2(O)	O(COO)	O(CN[5]O)(COO)	C(OC)2(O)	O(COO)	O(CN[5]O)(COO)	124.2400	0.000	1	124.2400	0.000	1	122.3193	29.186	6	125.5379	5.315	99	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	3:3:	O-2:O-2:O-1:	C-3:	C-3:C-3:	C(OIr)(OC)(O)	O(COO)	O(CIrO)(COO)	C(OIr)(OC)(O)	O(COO)	O(CIrO)(COO)	115.4875	1.087	2	115.4875	1.181	2	122.3193	29.186	6	125.5379	5.315	99	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	3:3:	O-2:O-2:O-1:	C-3:	C-3:N-3:	C(OC[6a])(ON)(O)	O(COO)	O(COO)(NCC)	C(OC[6a])(ON)(O)	O(COO)	O(COO)(NCC)	127.8100	0.000	1	127.8100	0.000	1	127.8100	0.000	1	125.5379	5.315	99	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	3:3:	O-2:O-2:O-1:	C-3:	C[5a]-3:C-3:	C(OC[5a])(OC)(O)	O(COO)	O(C[5a]C[5a]N[5a])(COO)	C(OC[5a])(OC)(O)	O(COO)	O(C[5a]C[5a]N[5a])(COO)	124.3510	0.583	2	124.3510	0.339	2	125.4413	0.781	6	125.5379	5.315	99	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	3:3:	O-2:O-2:O-1:	C-3:	C[5a]-3:C-3:	C(OC[5a])(OC[6a])(O)	O(COO)	O(C[5a]C[5a]N[5a])(COO)	C(OC[5a])(OC[6a])(O)	O(COO)	O(C[5a]C[5a]N[5a])(COO)	125.9865	0.013	4	125.9865	0.000	4	125.4413	0.781	6	125.5379	5.315	99	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	3:3:	O-2:O-2:O-1:	C-3:	C[6]-3:C-3:	C(OC[6])(OC)(O)	O(COO)	O(C[6]C[6]2)(COO)	C(OC[6])(OC)(O)	O(COO)	O(C[6]C[6]2)(COO)	125.7585	2.456	2	125.7585	6.031	2	125.7585	6.031	2	125.5379	5.315	99	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	3:3:	O-2:O-2:O-1:	C-3:	C[6a]-3:C-3:	C(OC[5a])(OC[6a])(O)	O(COO)	O(C[6a]C[6a]2)(COO)	C(OC[5a])(OC[6a])(O)	O(COO)	O(C[6a]C[6a]2)(COO)	128.3290	0.277	4	128.3290	0.077	4	126.1433	2.359	66	125.5379	5.315	99	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	3:3:	O-2:O-2:O-1:	C-3:	C[6a]-3:C-3:	C(OC[6,6])(OC[6a])(O)	O(COO)	O(C[6a]C[6a]2)(COO)	C(OC[6,6])(OC[6a])(O)	O(COO)	O(C[6a]C[6a]2)(COO)	126.4900	0.000	1	126.4900	0.000	1	126.1433	2.359	66	125.5379	5.315	99	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	3:3:	O-2:O-2:O-1:	C-3:	C[6a]-3:C-3:	C(OC[6a])(OC)(O)	O(COO)	O(C[6a]C[6a,6a]C[6a])(COO)	C(OC[6a])(OC)(O)	O(COO)	O(C[6a]C[6a,6a]C[6a])(COO)	126.1880	1.692	5	126.1880	2.864	5	126.1433	2.359	66	125.5379	5.315	99	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	3:3:	O-2:O-2:O-1:	C-3:	C[6a]-3:C-3:	C(OC[6a])(OC)(O)	O(COO)	O(C[6a]C[6a]2)(COO)	C(OC[6a])(OC)(O)	O(COO)	O(C[6a]C[6a]2)(COO)	125.6324	1.014	27	125.6324	1.028	27	126.1433	2.359	66	125.5379	5.315	99	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	3:3:	O-2:O-2:O-1:	C-3:	C[6a]-3:C-3:	C(OC[6a])(OC)(O)	O(COO)	O(C[6a]C[6a]N[6a])(COO)	C(OC[6a])(OC)(O)	O(COO)	O(C[6a]C[6a]N[6a])(COO)	124.4892	0.428	4	124.4892	0.183	4	126.1433	2.359	66	125.5379	5.315	99	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	3:3:	O-2:O-2:O-1:	C-3:	C[6a]-3:C-3:	C(OC[6a])(OC[6])(O)	O(COO)	O(C[6a]C[6a]2)(COO)	C(OC[6a])(OC[6])(O)	O(COO)	O(C[6a]C[6a]2)(COO)	125.1249	1.574	10	125.1249	2.478	10	126.1433	2.359	66	125.5379	5.315	99	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	3:3:	O-2:O-2:O-1:	C-3:	C[6a]-3:C-3:	C(OC[6a])(ON)(O)	O(COO)	O(C[6a]C[6a]2)(COO)	C(OC[6a])(ON)(O)	O(COO)	O(C[6a]C[6a]2)(COO)	127.9722	0.760	5	127.9722	0.578	5	126.1433	2.359	66	125.5379	5.315	99	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	3:3:	O-2:O-2:O-1:	C-3:	C[6a]-3:C-3:	C(OC[6a])2(O)	O(COO)	O(C[6a]C[6a]2)(COO)	C(OC[6a])2(O)	O(COO)	O(C[6a]C[6a]2)(COO)	127.3570	1.091	10	127.3570	1.189	10	126.1433	2.359	66	125.5379	5.315	99	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	3:3:	O-2:O-2:O-1:	C-3:	N[5]-3:C-3:	C(OC[6])(ON[5])(O)	O(COO)	O(N[5]C[5]2)(COO)	C(OC[6])(ON[5])(O)	O(COO)	O(N[5]C[5]2)(COO)	124.1750	0.000	1	124.1750	0.000	1	124.9870	2.149	6	125.5379	5.315	99	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	3:3:	O-2:O-2:O-1:	C-3:	N[5]-3:C-3:	C(ON[5])(OC)(O)	O(COO)	O(N[5]C[5]2)(COO)	C(ON[5])(OC)(O)	O(COO)	O(N[5]C[5]2)(COO)	124.5205	0.826	4	124.5205	0.682	4	124.9870	2.149	6	125.5379	5.315	99	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	3:3:	O-2:O-2:O-1:	C-3:	N[5]-3:C-3:	C(ON[5])2(O)	O(COO)	O(N[5]C[5]2)(COO)	C(ON[5])2(O)	O(COO)	O(N[5]C[5]2)(COO)	127.6650	0.000	1	127.6650	0.000	1	124.9870	2.149	6	125.5379	5.315	99	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	3:3:	O-2:S-2:O-1:	C-3:	C[6a]-3:C-3:	C(OC[6a])(SC)(O)	O(COS)	O(C[6a]C[6a]2)(COS)	C(OC[6a])(SC)(O)	O(COS)	O(C[6a]C[6a]2)(COS)	125.2470	0.191	4	125.2470	0.036	4	125.2470	0.036	4	125.5379	5.315	99	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	4:3:	C-2:O-2:O-1:	C-3:	C-4:C-3:	C(CC)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CC)(OC)(O)	O(CCO)	O(CCHH)(CCO)	123.4390	2.539	6	123.4390	6.447	6	123.2797	3.654	35	125.8188	6.069	347	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	4:3:	C-2:O-2:O-1:	C-3:	C-4:C-3:	C(CC)(OC)(O)	O(CCO)	O(CC[5]CH)(CCO)	C(CC)(OC)(O)	O(CCO)	O(CC[5]CH)(CCO)	122.2370	0.000	1	122.2370	0.000	1	123.2797	3.654	35	125.8188	6.069	347	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	4:3:	C-2:O-2:O-1:	C-3:	C-4:C-3:	C(CC)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CC)(OC)(O)	O(CCO)	O(CH3)(CCO)	123.3497	1.839	26	123.3497	3.382	26	123.2797	3.654	35	125.8188	6.069	347	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	4:3:	C-2:O-2:O-1:	C-3:	C-4:C-3:	C(CH)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CH)(OC)(O)	O(CCO)	O(CCHH)(CCO)	120.9010	0.000	1	120.9010	0.000	1	123.2797	3.654	35	125.8188	6.069	347	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	4:3:	C-2:O-2:O-1:	C-3:	C-4:C-3:	C(CRe)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CRe)(OC)(O)	O(CCO)	O(CCHH)(CCO)	123.9260	0.000	1	123.9260	0.000	1	123.2797	3.654	35	125.8188	6.069	347	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	4:3:	N-2:O-2:O-1:	C-3:	C-4:C-3:	C(NC)(OC)(O)	O(CNO)	O(CC3)(CNO)	C(NC)(OC)(O)	O(CNO)	O(CC3)(CNO)	125.0515	1.589	23	125.0515	2.524	23	124.4213	3.506	90	125.8188	6.069	347	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	4:3:	N-2:O-2:O-1:	C-3:	C-4:C-3:	C(NC)(OC)(O)	O(CNO)	O(CCHH)(CNO)	C(NC)(OC)(O)	O(CNO)	O(CCHH)(CNO)	124.6743	1.553	6	124.6743	2.412	6	124.4213	3.506	90	125.8188	6.069	347	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	4:3:	N-2:O-2:O-1:	C-3:	C-4:C-3:	C(NC)(OC)(O)	O(CNO)	O(CC[6]HH)(CNO)	C(NC)(OC)(O)	O(CNO)	O(CC[6]HH)(CNO)	124.9160	0.000	1	124.9160	0.000	1	124.4213	3.506	90	125.8188	6.069	347	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	4:3:	N-2:O-2:O-1:	C-3:	C-4:C-3:	C(NC)(OC)(O)	O(CNO)	O(CC[6a]CH)(CNO)	C(NC)(OC)(O)	O(CNO)	O(CC[6a]CH)(CNO)	123.8810	0.000	1	123.8810	0.000	1	124.4213	3.506	90	125.8188	6.069	347	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	4:3:	N-2:O-2:O-1:	C-3:	C-4:C-3:	C(NC)(OC)(O)	O(CNO)	O(CC[6a]HH)(CNO)	C(NC)(OC)(O)	O(CNO)	O(CC[6a]HH)(CNO)	122.8224	1.496	9	122.8224	2.239	9	124.4213	3.506	90	125.8188	6.069	347	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	4:3:	N-2:O-2:O-1:	C-3:	C-4:C-3:	C(NC)(OC)(O)	O(CNO)	O(CH3)(CNO)	C(NC)(OC)(O)	O(CNO)	O(CH3)(CNO)	121.4450	1.009	3	121.4450	1.019	3	124.4213	3.506	90	125.8188	6.069	347	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	4:3:	N-2:O-2:O-1:	C-3:	C-4:C-3:	C(NC[5])(OC)(O)	O(CNO)	O(CC3)(CNO)	C(NC[5])(OC)(O)	O(CNO)	O(CC3)(CNO)	125.0745	1.999	6	125.0745	3.998	6	124.4213	3.506	90	125.8188	6.069	347	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	4:3:	N-2:O-2:O-1:	C-3:	C-4:C-3:	C(NC[5])(OC)(O)	O(CNO)	O(CCHH)(CNO)	C(NC[5])(OC)(O)	O(CNO)	O(CCHH)(CNO)	124.1010	0.000	1	124.1010	0.000	1	124.4213	3.506	90	125.8188	6.069	347	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	4:3:	N-2:O-2:O-1:	C-3:	C-4:C-3:	C(NC[5])(OC)(O)	O(CNO)	O(CC[6a]HH)(CNO)	C(NC[5])(OC)(O)	O(CNO)	O(CC[6a]HH)(CNO)	126.2640	0.000	1	126.2640	0.000	1	124.4213	3.506	90	125.8188	6.069	347	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	4:3:	N-2:O-2:O-1:	C-3:	C-4:C-3:	C(NC[5a])(OC)(O)	O(CNO)	O(CC3)(CNO)	C(NC[5a])(OC)(O)	O(CNO)	O(CC3)(CNO)	128.8720	0.000	1	128.8720	0.000	1	124.4213	3.506	90	125.8188	6.069	347	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	4:3:	N-2:O-2:O-1:	C-3:	C-4:C-3:	C(NC[5a])(OC)(O)	O(CNO)	O(CCHH)(CNO)	C(NC[5a])(OC)(O)	O(CNO)	O(CCHH)(CNO)	123.5392	0.808	10	123.5392	0.652	10	124.4213	3.506	90	125.8188	6.069	347	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	4:3:	N-2:O-2:O-1:	C-3:	C-4:C-3:	C(NC[6,6])(OC)(O)	O(CNO)	O(CC3)(CNO)	C(NC[6,6])(OC)(O)	O(CNO)	O(CC3)(CNO)	124.2130	0.000	1	124.2130	0.000	1	124.4213	3.506	90	125.8188	6.069	347	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	4:3:	N-2:O-2:O-1:	C-3:	C-4:C-3:	C(NC[6])(OC)(O)	O(CNO)	O(CC3)(CNO)	C(NC[6])(OC)(O)	O(CNO)	O(CC3)(CNO)	124.9240	1.138	4	124.9240	1.295	4	124.4213	3.506	90	125.8188	6.069	347	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	4:3:	N-2:O-2:O-1:	C-3:	C-4:C-3:	C(NC[6])(OC)(O)	O(CNO)	O(CC[6a]HH)(CNO)	C(NC[6])(OC)(O)	O(CNO)	O(CC[6a]HH)(CNO)	124.1150	0.000	1	124.1150	0.000	1	124.4213	3.506	90	125.8188	6.069	347	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	4:3:	N-2:O-2:O-1:	C-3:	C-4:C-3:	C(NC[6a])(OC)(O)	O(CNO)	O(CC3)(CNO)	C(NC[6a])(OC)(O)	O(CNO)	O(CC3)(CNO)	125.8460	1.123	2	125.8460	1.261	2	124.4213	3.506	90	125.8188	6.069	347	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	4:3:	N-2:O-2:O-1:	C-3:	C-4:C-3:	C(NC[6a])(OC)(O)	O(CNO)	O(CCHH)(CNO)	C(NC[6a])(OC)(O)	O(CNO)	O(CCHH)(CNO)	124.3463	0.069	3	124.3463	0.005	3	124.4213	3.506	90	125.8188	6.069	347	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	4:3:	N-2:O-2:O-1:	C-3:	C-4:C-3:	C(NC[6a])(OC)(O)	O(CNO)	O(CC[4]HH)(CNO)	C(NC[6a])(OC)(O)	O(CNO)	O(CC[4]HH)(CNO)	123.8393	0.257	3	123.8393	0.066	3	124.4213	3.506	90	125.8188	6.069	347	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	4:3:	N-2:O-2:O-1:	C-3:	C-4:C-3:	C(NC[6a])(OC)(O)	O(CNO)	O(CC[6]HH)(CNO)	C(NC[6a])(OC)(O)	O(CNO)	O(CC[6]HH)(CNO)	124.9300	0.150	2	124.9300	0.022	2	124.4213	3.506	90	125.8188	6.069	347	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	4:3:	N-2:O-2:O-1:	C-3:	C-4:C-3:	C(NC[6a])(OC)(O)	O(CNO)	O(CH3)(CNO)	C(NC[6a])(OC)(O)	O(CNO)	O(CH3)(CNO)	124.1750	0.000	1	124.1750	0.000	1	124.4213	3.506	90	125.8188	6.069	347	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	4:3:	N-2:O-2:O-1:	C-3:	C-4:C-3:	C(NN)(OC)(O)	O(CNO)	O(CC3)(CNO)	C(NN)(OC)(O)	O(CNO)	O(CC3)(CNO)	127.5980	0.000	1	127.5980	0.000	1	124.4213	3.506	90	125.8188	6.069	347	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	4:3:	N-2:O-2:O-1:	C-3:	C-4:C-3:	C(NN)(OC)(O)	O(CNO)	O(CCCH)(CNO)	C(NN)(OC)(O)	O(CNO)	O(CCCH)(CNO)	127.4910	0.000	1	127.4910	0.000	1	124.4213	3.506	90	125.8188	6.069	347	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	4:3:	N-2:O-2:O-1:	C-3:	C-4:C-3:	C(NN)(OC)(O)	O(CNO)	O(CCHH)(CNO)	C(NN)(OC)(O)	O(CNO)	O(CCHH)(CNO)	122.7345	2.895	4	122.7345	8.381	4	124.4213	3.506	90	125.8188	6.069	347	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	4:3:	N-2:O-2:O-1:	C-3:	C-4:C-3:	C(NN)(OC)(O)	O(CNO)	O(CC[6a]HH)(CNO)	C(NN)(OC)(O)	O(CNO)	O(CC[6a]HH)(CNO)	128.4530	0.000	1	128.4530	0.000	1	124.4213	3.506	90	125.8188	6.069	347	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	4:3:	N-2:O-2:O-1:	C-3:	C-4:C-3:	C(NN)(OC)(O)	O(CNO)	O(CH3)(CNO)	C(NN)(OC)(O)	O(CNO)	O(CH3)(CNO)	123.1830	0.000	1	123.1830	0.000	1	124.4213	3.506	90	125.8188	6.069	347	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	4:3:	N-2:O-2:O-1:	C-3:	C-4:C-3:	C(NN)(OC)(O)	O(CNO)	O(CSiHH)(CNO)	C(NN)(OC)(O)	O(CNO)	O(CSiHH)(CNO)	126.1940	0.000	1	126.1940	0.000	1	124.4213	3.506	90	125.8188	6.069	347	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	4:3:	N-2:O-2:O-1:	C-3:	C-4:C-3:	C(NO)(OC)(O)	O(CNO)	O(CC3)(CNO)	C(NO)(OC)(O)	O(CNO)	O(CC3)(CNO)	126.7710	0.000	1	126.7710	0.000	1	124.4213	3.506	90	125.8188	6.069	347	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	4:3:	N-2:O-2:O-1:	C-3:	C-4:C-3:	C(NS)(OC)(O)	O(CNO)	O(CC[6a]CH)(CNO)	C(NS)(OC)(O)	O(CNO)	O(CC[6a]CH)(CNO)	121.1440	0.000	1	121.1440	0.000	1	124.4213	3.506	90	125.8188	6.069	347	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	4:3:	N-2:O-2:O-1:	C-3:	C[5]-4:C-3:	C(NC[6a])(OC[5])(O)	O(CNO)	O(C[5]C[5]2H)(CNO)	C(NC[6a])(OC[5])(O)	O(CNO)	O(C[5]C[5]2H)(CNO)	124.1090	0.000	1	124.1090	0.000	1	124.1090	0.000	1	125.8188	6.069	347	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	4:3:	O-2:C-2:O-1:	C-3:	C[6]-4:C-3:	C(OC[6])(CC)(O)	O(CCO)	O(C[6]C[6,6]C[6]H)(CCO)	C(OC[6])(CC)(O)	O(CCO)	O(C[6]C[6,6]C[6]H)(CCO)	124.0540	0.000	1	124.0540	0.000	1	124.0540	0.000	1	125.8188	6.069	347	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	4:3:	O-2:N-2:O-1:	C-3:	C[6]-4:C-3:	C(OC[6])(NC)(O)	O(CNO)	O(C[6]C[6]2H)(CNO)	C(OC[6])(NC)(O)	O(CNO)	O(C[6]C[6]2H)(CNO)	126.0090	0.000	1	126.0090	0.000	1	126.0090	0.000	1	125.8188	6.069	347	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	4:3:	O-2:N-2:O-1:	C-3:	Si-4:C-3:	C(OSi)(NC)(O)	O(CNO)	O(SiCCO)(CNO)	C(OSi)(NC)(O)	O(CNO)	O(SiCCO)(CNO)	122.1935	0.357	2	122.1935	0.128	2	122.1935	0.128	2	125.8188	6.069	347	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	4:3:	O-2:O-2:O-1:	C-3:	C-4:C-3:	C(OC)(ON)(O)	O(COO)	O(CC3)(COO)	C(OC)(ON)(O)	O(COO)	O(CC3)(COO)	131.4730	0.000	1	131.4730	0.000	1	126.9182	5.037	164	125.8188	6.069	347	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	4:3:	O-2:O-2:O-1:	C-3:	C-4:C-3:	C(OC)(ON)(O)	O(COO)	O(CC[6a]HH)(COO)	C(OC)(ON)(O)	O(COO)	O(CC[6a]HH)(COO)	128.0520	0.831	4	128.0520	0.690	4	126.9182	5.037	164	125.8188	6.069	347	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	4:3:	O-2:O-2:O-1:	C-3:	C-4:C-3:	C(OC)2(O)	O(COO)	O(CC3)(COO)	C(OC)2(O)	O(COO)	O(CC3)(COO)	128.4627	1.470	16	128.4627	2.160	16	126.9182	5.037	164	125.8188	6.069	347	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	4:3:	O-2:O-2:O-1:	C-3:	C-4:C-3:	C(OC)2(O)	O(COO)	O(CCCH)(COO)	C(OC)2(O)	O(COO)	O(CCCH)(COO)	124.1615	0.906	4	124.1615	0.821	4	126.9182	5.037	164	125.8188	6.069	347	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	4:3:	O-2:O-2:O-1:	C-3:	C-4:C-3:	C(OC)2(O)	O(COO)	O(CCHH)(COO)	C(OC)2(O)	O(COO)	O(CCHH)(COO)	125.9675	1.467	25	125.9675	2.154	25	126.9182	5.037	164	125.8188	6.069	347	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	4:3:	O-2:O-2:O-1:	C-3:	C-4:C-3:	C(OC)2(O)	O(COO)	O(CCHO)(COO)	C(OC)2(O)	O(COO)	O(CCHO)(COO)	126.1595	0.292	2	126.1595	0.085	2	126.9182	5.037	164	125.8188	6.069	347	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	4:3:	O-2:O-2:O-1:	C-3:	C-4:C-3:	C(OC)2(O)	O(COO)	O(CC[3]CH)(COO)	C(OC)2(O)	O(COO)	O(CC[3]CH)(COO)	125.1540	0.000	1	125.1540	0.000	1	126.9182	5.037	164	125.8188	6.069	347	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	4:3:	O-2:O-2:O-1:	C-3:	C-4:C-3:	C(OC)2(O)	O(COO)	O(CC[5]CH)(COO)	C(OC)2(O)	O(COO)	O(CC[5]CH)(COO)	125.4585	0.780	2	125.4585	0.608	2	126.9182	5.037	164	125.8188	6.069	347	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	4:3:	O-2:O-2:O-1:	C-3:	C-4:C-3:	C(OC)2(O)	O(COO)	O(CC[5]HH)(COO)	C(OC)2(O)	O(COO)	O(CC[5]HH)(COO)	126.2867	0.735	4	126.2867	0.541	4	126.9182	5.037	164	125.8188	6.069	347	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	4:3:	O-2:O-2:O-1:	C-3:	C-4:C-3:	C(OC)2(O)	O(COO)	O(CC[6]CH)(COO)	C(OC)2(O)	O(COO)	O(CC[6]CH)(COO)	127.2230	0.000	1	127.2230	0.000	1	126.9182	5.037	164	125.8188	6.069	347	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	4:3:	O-2:O-2:O-1:	C-3:	C-4:C-3:	C(OC)2(O)	O(COO)	O(CC[6]HH)(COO)	C(OC)2(O)	O(COO)	O(CC[6]HH)(COO)	125.0870	1.797	4	125.0870	3.230	4	126.9182	5.037	164	125.8188	6.069	347	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	4:3:	O-2:O-2:O-1:	C-3:	C-4:C-3:	C(OC)2(O)	O(COO)	O(CC[6a]CH)(COO)	C(OC)2(O)	O(COO)	O(CC[6a]CH)(COO)	123.6562	2.835	5	123.6562	8.039	5	126.9182	5.037	164	125.8188	6.069	347	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	4:3:	O-2:O-2:O-1:	C-3:	C-4:C-3:	C(OC)2(O)	O(COO)	O(CC[6a]C[5]H)(COO)	C(OC)2(O)	O(COO)	O(CC[6a]C[5]H)(COO)	126.8370	0.000	1	126.8370	0.000	1	126.9182	5.037	164	125.8188	6.069	347	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	4:3:	O-2:O-2:O-1:	C-3:	C-4:C-3:	C(OC)2(O)	O(COO)	O(CC[6a]HH)(COO)	C(OC)2(O)	O(COO)	O(CC[6a]HH)(COO)	126.6342	0.428	11	126.6342	0.183	11	126.9182	5.037	164	125.8188	6.069	347	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	4:3:	O-2:O-2:O-1:	C-3:	C-4:C-3:	C(OC)2(O)	O(COO)	O(CH3)(COO)	C(OC)2(O)	O(COO)	O(CH3)(COO)	126.6658	0.777	11	126.6658	0.604	11	126.9182	5.037	164	125.8188	6.069	347	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	4:3:	O-2:O-2:O-1:	C-3:	C-4:C-3:	C(OC)2(O)	O(COO)	O(CN[5a]CH)(COO)	C(OC)2(O)	O(COO)	O(CN[5a]CH)(COO)	124.7735	0.858	2	124.7735	0.736	2	126.9182	5.037	164	125.8188	6.069	347	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	4:3:	O-2:O-2:O-1:	C-3:	C-4:C-3:	C(OC[5])(OC)(O)	O(COO)	O(CC3)(COO)	C(OC[5])(OC)(O)	O(COO)	O(CC3)(COO)	128.2130	0.000	1	128.2130	0.000	1	126.9182	5.037	164	125.8188	6.069	347	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	4:3:	O-2:O-2:O-1:	C-3:	C-4:C-3:	C(OC[5])(OC)(O)	O(COO)	O(CH3)(COO)	C(OC[5])(OC)(O)	O(COO)	O(CH3)(COO)	126.7965	0.840	4	126.7965	0.705	4	126.9182	5.037	164	125.8188	6.069	347	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	4:3:	O-2:O-2:O-1:	C-3:	C-4:C-3:	C(OC[5])(OC)(O)	O(COO)	O(CMoCH)(COO)	C(OC[5])(OC)(O)	O(COO)	O(CMoCH)(COO)	126.8080	0.000	1	126.8080	0.000	1	126.9182	5.037	164	125.8188	6.069	347	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	4:3:	O-2:O-2:O-1:	C-3:	C-4:C-3:	C(OC[5a])(OC)(O)	O(COO)	O(CC3)(COO)	C(OC[5a])(OC)(O)	O(COO)	O(CC3)(COO)	129.7435	0.112	2	129.7435	0.013	2	126.9182	5.037	164	125.8188	6.069	347	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	4:3:	O-2:O-2:O-1:	C-3:	C-4:C-3:	C(OC[6])(OC)(O)	O(COO)	O(CC3)(COO)	C(OC[6])(OC)(O)	O(COO)	O(CC3)(COO)	129.1202	1.189	6	129.1202	1.415	6	126.9182	5.037	164	125.8188	6.069	347	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	4:3:	O-2:O-2:O-1:	C-3:	C-4:C-3:	C(OC[6])(OC)(O)	O(COO)	O(CCHH)(COO)	C(OC[6])(OC)(O)	O(COO)	O(CCHH)(COO)	126.1280	0.592	4	126.1280	0.350	4	126.9182	5.037	164	125.8188	6.069	347	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	4:3:	O-2:O-2:O-1:	C-3:	C-4:C-3:	C(OC[6])(OC)(O)	O(COO)	O(CCHO)(COO)	C(OC[6])(OC)(O)	O(COO)	O(CCHO)(COO)	124.9450	0.000	1	124.9450	0.000	1	126.9182	5.037	164	125.8188	6.069	347	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	4:3:	O-2:O-2:O-1:	C-3:	C-4:C-3:	C(OC[6])(OC)(O)	O(COO)	O(CC[3]HH)(COO)	C(OC[6])(OC)(O)	O(COO)	O(CC[3]HH)(COO)	125.7180	0.000	1	125.7180	0.000	1	126.9182	5.037	164	125.8188	6.069	347	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	4:3:	O-2:O-2:O-1:	C-3:	C-4:C-3:	C(OC[6])(OC)(O)	O(COO)	O(CC[5]HH)(COO)	C(OC[6])(OC)(O)	O(COO)	O(CC[5]HH)(COO)	126.2240	0.000	1	126.2240	0.000	1	126.9182	5.037	164	125.8188	6.069	347	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	4:3:	O-2:O-2:O-1:	C-3:	C-4:C-3:	C(OC[6])(OC)(O)	O(COO)	O(CC[6a]CH)(COO)	C(OC[6])(OC)(O)	O(COO)	O(CC[6a]CH)(COO)	125.4855	1.380	2	125.4855	1.903	2	126.9182	5.037	164	125.8188	6.069	347	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	4:3:	O-2:O-2:O-1:	C-3:	C-4:C-3:	C(OC[6])(OC)(O)	O(COO)	O(CC[6a]HH)(COO)	C(OC[6])(OC)(O)	O(COO)	O(CC[6a]HH)(COO)	127.5010	0.000	1	127.5010	0.000	1	126.9182	5.037	164	125.8188	6.069	347	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	4:3:	O-2:O-2:O-1:	C-3:	C-4:C-3:	C(OC[6])(OC)(O)	O(COO)	O(CClHH)(COO)	C(OC[6])(OC)(O)	O(COO)	O(CClHH)(COO)	125.3350	0.000	1	125.3350	0.000	1	126.9182	5.037	164	125.8188	6.069	347	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	4:3:	O-2:O-2:O-1:	C-3:	C-4:C-3:	C(OC[6])(OC)(O)	O(COO)	O(CH3)(COO)	C(OC[6])(OC)(O)	O(COO)	O(CH3)(COO)	126.5457	0.431	3	126.5457	0.186	3	126.9182	5.037	164	125.8188	6.069	347	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	4:3:	O-2:O-2:O-1:	C-3:	C-4:C-3:	C(OC[6a])(OC)(O)	O(COO)	O(CC3)(COO)	C(OC[6a])(OC)(O)	O(COO)	O(CC3)(COO)	129.5863	0.615	10	129.5863	0.378	10	126.9182	5.037	164	125.8188	6.069	347	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	4:3:	O-2:O-2:O-1:	C-3:	C-4:C-3:	C(OC[6a])(OC)(O)	O(COO)	O(CCHH)(COO)	C(OC[6a])(OC)(O)	O(COO)	O(CCHH)(COO)	127.5995	0.885	17	127.5995	0.784	17	126.9182	5.037	164	125.8188	6.069	347	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	4:3:	O-2:O-2:O-1:	C-3:	C-4:C-3:	C(OC[6a])(OC)(O)	O(COO)	O(CC[5a]HH)(COO)	C(OC[6a])(OC)(O)	O(COO)	O(CC[5a]HH)(COO)	126.6520	0.000	1	126.6520	0.000	1	126.9182	5.037	164	125.8188	6.069	347	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	4:3:	O-2:O-2:O-1:	C-3:	C-4:C-3:	C(OC[6a])(OC)(O)	O(COO)	O(CC[6a]HH)(COO)	C(OC[6a])(OC)(O)	O(COO)	O(CC[6a]HH)(COO)	128.0795	0.052	2	128.0795	0.003	2	126.9182	5.037	164	125.8188	6.069	347	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	4:3:	O-2:O-2:O-1:	C-3:	C-4:C-3:	C(OC[6a])(OC)(O)	O(COO)	O(CH3)(COO)	C(OC[6a])(OC)(O)	O(COO)	O(CH3)(COO)	127.5333	1.187	6	127.5333	1.408	6	126.9182	5.037	164	125.8188	6.069	347	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	4:3:	O-2:O-2:O-1:	C-3:	C-4:C-3:	C(ON[5])(OC)(O)	O(COO)	O(CC[6a]HH)(COO)	C(ON[5])(OC)(O)	O(COO)	O(CC[6a]HH)(COO)	130.3630	0.011	2	130.3630	0.000	2	126.9182	5.037	164	125.8188	6.069	347	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	4:3:	O-2:O-2:O-1:	C-3:	C-4:C-3:	C(ON[5])(OC)(O)	O(COO)	O(CH3)(COO)	C(ON[5])(OC)(O)	O(COO)	O(CH3)(COO)	130.2760	0.460	2	130.2760	0.211	2	126.9182	5.037	164	125.8188	6.069	347	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	4:3:	O-2:O-2:O-1:	C-3:	C-4:C-3:	C(ORu)(OC)(O)	O(COO)	O(CH3)(COO)	C(ORu)(OC)(O)	O(COO)	O(CH3)(COO)	114.0340	0.000	1	114.0340	0.000	1	126.9182	5.037	164	125.8188	6.069	347	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	4:3:	O-2:O-2:O-1:	C-3:	C-4:C-3:	C(OSn)(OC)(O)	O(COO)	O(CH3)(COO)	C(OSn)(OC)(O)	O(COO)	O(CH3)(COO)	117.9560	0.000	1	117.9560	0.000	1	126.9182	5.037	164	125.8188	6.069	347	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	4:3:	O-2:O-2:O-1:	C-3:	C[5]-4:C-3:	C(OC[5])(OC)(O)	O(COO)	O(C[5]C[5,5]C[5]H)(COO)	C(OC[5])(OC)(O)	O(COO)	O(C[5]C[5,5]C[5]H)(COO)	126.6710	0.000	1	126.6710	0.000	1	126.3820	1.091	7	125.8188	6.069	347	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	4:3:	O-2:O-2:O-1:	C-3:	C[5]-4:C-3:	C(OC[5])(OC)(O)	O(COO)	O(C[5]C[5]2C)(COO)	C(OC[5])(OC)(O)	O(COO)	O(C[5]C[5]2C)(COO)	126.8045	1.638	2	126.8045	2.684	2	126.3820	1.091	7	125.8188	6.069	347	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	4:3:	O-2:O-2:O-1:	C-3:	C[5]-4:C-3:	C(OC[5])(OC)(O)	O(COO)	O(C[5]C[5]2H)(COO)	C(OC[5])(OC)(O)	O(COO)	O(C[5]C[5]2H)(COO)	126.0267	1.232	3	126.0267	1.518	3	126.3820	1.091	7	125.8188	6.069	347	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	4:3:	O-2:O-2:O-1:	C-3:	C[5]-4:C-3:	C(OC[5])(OC[6])(O)	O(COO)	O(C[5]C[5]2H)(COO)	C(OC[5])(OC[6])(O)	O(COO)	O(C[5]C[5]2H)(COO)	126.3140	0.000	1	126.3140	0.000	1	126.3820	1.091	7	125.8188	6.069	347	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	4:3:	O-2:O-2:O-1:	C-3:	C[6,6]-4:C-3:	C(OC[6,6])(OC[6a])(O)	O(COO)	O(C[6,6]C[3x6]2H)(COO)	C(OC[6,6])(OC[6a])(O)	O(COO)	O(C[6,6]C[3x6]2H)(COO)	127.9030	0.000	1	127.9030	0.000	1	127.9030	0.000	1	125.8188	6.069	347	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	4:3:	O-2:O-2:O-1:	C-3:	C[6]-4:C-3:	C(OC[5])(OC[6])(O)	O(COO)	O(C[6]C[6]2Mo)(COO)	C(OC[5])(OC[6])(O)	O(COO)	O(C[6]C[6]2Mo)(COO)	127.3680	0.000	1	127.3680	0.000	1	126.9725	2.698	31	125.8188	6.069	347	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	4:3:	O-2:O-2:O-1:	C-3:	C[6]-4:C-3:	C(OC[6])(OC)(O)	O(COO)	O(C[6]C[4,6]C[6]H)(COO)	C(OC[6])(OC)(O)	O(COO)	O(C[6]C[4,6]C[6]H)(COO)	125.2110	0.000	2	125.2110	0.000	2	126.9725	2.698	31	125.8188	6.069	347	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	4:3:	O-2:O-2:O-1:	C-3:	C[6]-4:C-3:	C(OC[6])(OC)(O)	O(COO)	O(C[6]C[6,6]C[6]H)(COO)	C(OC[6])(OC)(O)	O(COO)	O(C[6]C[6,6]C[6]H)(COO)	124.5640	2.173	3	124.5640	4.722	3	126.9725	2.698	31	125.8188	6.069	347	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	4:3:	O-2:O-2:O-1:	C-3:	C[6]-4:C-3:	C(OC[6])(OC)(O)	O(COO)	O(C[6]C[6]2C)(COO)	C(OC[6])(OC)(O)	O(COO)	O(C[6]C[6]2C)(COO)	128.2900	0.000	1	128.2900	0.000	1	126.9725	2.698	31	125.8188	6.069	347	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	4:3:	O-2:O-2:O-1:	C-3:	C[6]-4:C-3:	C(OC[6])(OC)(O)	O(COO)	O(C[6]C[6]2H)(COO)	C(OC[6])(OC)(O)	O(COO)	O(C[6]C[6]2H)(COO)	126.8167	0.949	12	126.8167	0.900	12	126.9725	2.698	31	125.8188	6.069	347	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	4:3:	O-2:O-2:O-1:	C-3:	C[6]-4:C-3:	C(OC[6])(OC)(O)	O(COO)	O(C[6]C[6]O[6]H)(COO)	C(OC[6])(OC)(O)	O(COO)	O(C[6]C[6]O[6]H)(COO)	125.5960	0.000	1	125.5960	0.000	1	126.9725	2.698	31	125.8188	6.069	347	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	4:3:	O-2:O-2:O-1:	C-3:	C[6]-4:C-3:	C(OC[6])(ON[5])(O)	O(COO)	O(C[6]C[6]2H)(COO)	C(OC[6])(ON[5])(O)	O(COO)	O(C[6]C[6]2H)(COO)	131.7130	0.000	1	131.7130	0.000	1	126.9725	2.698	31	125.8188	6.069	347	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	4:3:	O-2:O-2:O-1:	C-3:	C[6]-4:C-3:	C(OC[6a])(OC[6])(O)	O(COO)	O(C[6]C[6]2H)(COO)	C(OC[6a])(OC[6])(O)	O(COO)	O(C[6]C[6]2H)(COO)	127.7264	0.798	10	127.7264	0.638	10	126.9725	2.698	31	125.8188	6.069	347	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	4:3:	O-2:O-2:O-1:	C-3:	Ge-4:C-3:	C(OGe)(OPt)(O)	O(COO)	O(GePtNN)(COO)	C(OGe)(OPt)(O)	O(COO)	O(GePtNN)(COO)	119.1350	0.000	1	119.1350	0.000	1	119.1350	0.000	1	125.8188	6.069	347	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	4:3:	O-2:O-2:O-1:	C-3:	Si[5]-4:C-3:	C(OSi[5])2(O)	O(COO)	O(Si[5]C[5]2O)(COO)	C(OSi[5])2(O)	O(COO)	O(Si[5]C[5]2O)(COO)	123.6120	0.000	1	123.6120	0.000	1	123.6120	0.000	1	125.8188	6.069	347	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	4:3:	O-2:S-2:O-1:	C-3:	C-4:C-3:	C(OC)(SC)(O)	O(COS)	O(CH3)(COS)	C(OC)(SC)(O)	O(COS)	O(CH3)(COS)	125.3980	0.046	3	125.3980	0.002	3	126.8861	1.847	8	125.8188	6.069	347	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	4:3:	O-2:S-2:O-1:	C-3:	C-4:C-3:	C(OC)(SN)(O)	O(COS)	O(CH3)(COS)	C(OC)(SN)(O)	O(COS)	O(CH3)(COS)	127.4117	0.800	3	127.4117	0.639	3	126.8861	1.847	8	125.8188	6.069	347	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	4:3:	O-2:S-2:O-1:	C-3:	C-4:C-3:	C(OC)(SS)(O)	O(COS)	O(CH3)(COS)	C(OC)(SS)(O)	O(COS)	O(CH3)(COS)	128.3300	0.071	2	128.3300	0.005	2	126.8861	1.847	8	125.8188	6.069	347	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	4:3:	S-2:O-2:O-1:	C-3:	C-4:C-3:	C(SC[6,6])(OC)(O)	O(COS)	O(CH3)(COS)	C(SC[6,6])(OC)(O)	O(COS)	O(CH3)(COS)	126.5050	0.000	1	126.5050	0.000	1	126.8837	0.117	3	125.8188	6.069	347	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	4:3:	S-2:O-2:O-1:	C-3:	C-4:C-3:	C(SC[6])(OC)(O)	O(COS)	O(CCHH)(COS)	C(SC[6])(OC)(O)	O(COS)	O(CCHH)(COS)	127.0730	0.137	2	127.0730	0.019	2	126.8837	0.117	3	125.8188	6.069	347	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:	4:3:	S-2:O-2:O-1:	C-3:	C[6]-4:C-3:	C(SC[6a])(OC[6])(O)	O(COS)	O(C[6]C[6]2H)(COS)	C(SC[6a])(OC[6])(O)	O(COS)	O(C[6]C[6]2H)(COS)	126.0610	0.000	1	126.0610	0.000	1	126.0610	0.000	1	125.8188	6.069	347	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:3:1:	3:	3:3:	O-2:C-3:O-1:	C-3:	C[5]-3:C-3:	C(OC[5])(CCC)(O)	O(CCO)	O(C[5]C[5,6]C[5])(CCO)	C(OC[5])(CCC)(O)	O(CCO)	O(C[5]C[5,6]C[5])(CCO)	122.0270	0.000	1	122.0270	0.000	1	122.0815	0.006	2	122.7231	2.522	92	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:3:1:	3:	3:3:	O-2:C-3:O-1:	C-3:	C[5]-3:C-3:	C(OC[5])(CCH)(O)	O(CCO)	O(C[5]C[5,6]C[5])(CCO)	C(OC[5])(CCH)(O)	O(CCO)	O(C[5]C[5,6]C[5])(CCO)	122.1360	0.000	1	122.1360	0.000	1	122.0815	0.006	2	122.7231	2.522	92	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:3:1:	3:	3:3:	O-2:C-3:O-1:	C-3:	C[6]-3:C-3:	C(OC[6])(CCH)(O)	O(CCO)	O(C[6]C[6]2)(CCO)	C(OC[6])(CCH)(O)	O(CCO)	O(C[6]C[6]2)(CCO)	123.2850	0.000	1	123.2850	0.000	1	123.2850	0.000	1	122.7231	2.522	92	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:3:1:	3:	3:3:	O-2:C-3:O-1:	C-3:	C[6a]-3:C-3:	C(OC[6a])(CCC)(O)	O(CCO)	O(C[6a]C[6a]2)(CCO)	C(OC[6a])(CCC)(O)	O(CCO)	O(C[6a]C[6a]2)(CCO)	122.6190	0.468	8	122.6190	0.219	8	122.3925	1.386	35	122.7231	2.522	92	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:3:1:	3:	3:3:	O-2:C-3:O-1:	C-3:	C[6a]-3:C-3:	C(OC[6a])(CCH)(O)	O(CCO)	O(C[6a]C[6a,6a]C[6a])(CCO)	C(OC[6a])(CCH)(O)	O(CCO)	O(C[6a]C[6a,6a]C[6a])(CCO)	123.0080	0.000	1	123.0080	0.000	1	122.3925	1.386	35	122.7231	2.522	92	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:3:1:	3:	3:3:	O-2:C-3:O-1:	C-3:	C[6a]-3:C-3:	C(OC[6a])(CCH)(O)	O(CCO)	O(C[6a]C[6a]2)(CCO)	C(OC[6a])(CCH)(O)	O(CCO)	O(C[6a]C[6a]2)(CCO)	122.1912	0.775	24	122.1912	0.600	24	122.3925	1.386	35	122.7231	2.522	92	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:3:1:	3:	3:3:	O-2:C-3:O-1:	C-3:	C[6a]-3:C-3:	C(OC[6a])(CHN)(O)	O(CCO)	O(C[6a]C[6a]2)(CCO)	C(OC[6a])(CHN)(O)	O(CCO)	O(C[6a]C[6a]2)(CCO)	119.9120	0.000	1	119.9120	0.000	1	122.3925	1.386	35	122.7231	2.522	92	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:3:1:	3:	3:3:	O-2:C-3:O-1:	C-3:	C[6a]-3:C-3:	C(OC[6a])(CNO)(O)	O(CCO)	O(C[6a]C[6a]2)(CCO)	C(OC[6a])(CNO)(O)	O(CCO)	O(C[6a]C[6a]2)(CCO)	127.2790	0.000	1	127.2790	0.000	1	122.3925	1.386	35	122.7231	2.522	92	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:3:1:	3:	3:3:	O-2:C-3:O-1:	C-3:	N[5]-3:C-3:	C(ON[5])(CCC)(O)	O(CCO)	O(N[5]C[5]2)(CCO)	C(ON[5])(CCC)(O)	O(CCO)	O(N[5]C[5]2)(CCO)	121.6500	0.000	1	121.6500	0.000	1	123.4185	2.918	4	122.7231	2.522	92	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:3:1:	3:	3:3:	O-2:C-3:O-1:	C-3:	N[5]-3:C-3:	C(ON[5])(CCH)(O)	O(CCO)	O(N[5]C[5]2)(CCO)	C(ON[5])(CCH)(O)	O(CCO)	O(N[5]C[5]2)(CCO)	122.2600	0.000	1	122.2600	0.000	1	123.4185	2.918	4	122.7231	2.522	92	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:3:1:	3:	3:3:	O-2:C-3:O-1:	C-3:	N[5]-3:C-3:	C(ON[5])(COO)(O)	O(CCO)	O(N[5]C[5]2)(CCO)	C(ON[5])(COO)(O)	O(CCO)	O(N[5]C[5]2)(CCO)	124.8820	0.010	2	124.8820	0.000	2	123.4185	2.918	4	122.7231	2.522	92	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:3:1:	3:	3:3:	O-2:C-3:O-1:	C-3:	N[6]-3:C-3:	C(ON[6])(CCC)(O)	O(CCO)	O(N[6]C[6]2)(CCO)	C(ON[6])(CCC)(O)	O(CCO)	O(N[6]C[6]2)(CCO)	126.5170	0.089	2	126.5170	0.008	2	121.9373	62.924	3	122.7231	2.522	92	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:3:1:	3:	3:3:	O-2:C-3:O-1:	C-3:	N[6]-3:C-3:	C(ON[6])(CHP)(O)	O(CCO)	O(N[6]C[6]2)(CCO)	C(ON[6])(CHP)(O)	O(CCO)	O(N[6]C[6]2)(CCO)	112.7780	0.000	1	112.7780	0.000	1	121.9373	62.924	3	122.7231	2.522	92	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:3:1:	3:	3:3:	O-2:N-3:O-1:	C-3:	C[6a]-3:C-3:	C(OC[6a])(NCC)(O)	O(CNO)	O(C[6a]C[6a]2)(CNO)	C(OC[6a])(NCC)(O)	O(CNO)	O(C[6a]C[6a]2)(CNO)	122.8794	0.909	22	122.8794	0.826	22	123.0483	0.681	45	122.7231	2.522	92	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:3:1:	3:	3:3:	O-2:N-3:O-1:	C-3:	C[6a]-3:C-3:	C(OC[6a])(NCC)(O)	O(CNO)	O(C[6a]C[6a]N[6a])(CNO)	C(OC[6a])(NCC)(O)	O(CNO)	O(C[6a]C[6a]N[6a])(CNO)	122.2600	0.000	1	122.2600	0.000	1	123.0483	0.681	45	122.7231	2.522	92	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:3:1:	3:	3:3:	O-2:N-3:O-1:	C-3:	C[6a]-3:C-3:	C(OC[6a])(NCH)(O)	O(CNO)	O(C[6a]C[5,6a]C[6a])(CNO)	C(OC[6a])(NCH)(O)	O(CNO)	O(C[6a]C[5,6a]C[6a])(CNO)	123.1702	0.468	5	123.1702	0.219	5	123.0483	0.681	45	122.7231	2.522	92	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:3:1:	3:	3:3:	O-2:N-3:O-1:	C-3:	C[6a]-3:C-3:	C(OC[6a])(NCH)(O)	O(CNO)	O(C[6a]C[6a]2)(CNO)	C(OC[6a])(NCH)(O)	O(CNO)	O(C[6a]C[6a]2)(CNO)	123.0613	0.461	15	123.0613	0.213	15	123.0483	0.681	45	122.7231	2.522	92	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:3:1:	3:	3:3:	O-2:N-3:O-1:	C-3:	C[6a]-3:C-3:	C(OC[6a])(NCO)(O)	O(CNO)	O(C[6a]C[6a]2)(CNO)	C(OC[6a])(NCO)(O)	O(CNO)	O(C[6a]C[6a]2)(CNO)	125.4520	0.000	1	125.4520	0.000	1	123.0483	0.681	45	122.7231	2.522	92	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:3:1:	3:	3:3:	O-2:N-3:O-1:	C-3:	C[6a]-3:C-3:	C(OC[6a])(NHN)(O)	O(CNO)	O(C[6a]C[6a]2)(CNO)	C(OC[6a])(NHN)(O)	O(CNO)	O(C[6a]C[6a]2)(CNO)	124.3420	0.000	1	124.3420	0.000	1	123.0483	0.681	45	122.7231	2.522	92	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:3:1:	3:	3:3:	O-2:N-3:O-1:	C-3:	N[5]-3:C-3:	C(ON[5])(NCH)(O)	O(CNO)	O(N[5]C[5]2)(CNO)	C(ON[5])(NCH)(O)	O(CNO)	O(N[5]C[5]2)(CNO)	121.7880	0.000	1	121.7880	0.000	1	121.7880	0.000	1	122.7231	2.522	92	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:3:1:	3:	3:3:	O-2:N-3:O-1:	C-3:	N[6]-3:C-3:	C(ON[6])(NCC)(O)	O(CNO)	O(N[6]C[6]2)(CNO)	C(ON[6])(NCC)(O)	O(CNO)	O(N[6]C[6]2)(CNO)	120.8900	0.000	1	120.8900	0.000	1	120.8900	0.000	1	122.7231	2.522	92	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:3:1:	3:	4:3:	O-2:C-3:O-1:	C-3:	C[3x6]-4:C-3:	C(OC[3x6])(COO)(O)	O(CCO)	O(C[3x6]C[6,6]3)(CCO)	C(OC[3x6])(COO)(O)	O(CCO)	O(C[3x6]C[6,6]3)(CCO)	129.9380	0.190	2	129.9380	0.036	2	129.9380	0.036	2	123.5165	4.772	110	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:3:1:	3:	4:3:	O-2:C-3:O-1:	C-3:	C[5,6]-4:C-3:	C(OC[5,6])(CCC)(O)	O(CCO)	O(C[5,6]C[5,5,6]C[5,6,6]H)(CCO)	C(OC[5,6])(CCC)(O)	O(CCO)	O(C[5,6]C[5,5,6]C[5,6,6]H)(CCO)	122.6660	0.058	2	122.6660	0.003	2	122.9747	0.198	9	123.5165	4.772	110	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:3:1:	3:	4:3:	O-2:C-3:O-1:	C-3:	C[5,6]-4:C-3:	C(OC[5,6])(CCH)(O)	O(CCO)	O(C[5,6]C[5,6,6]C[5,6]H)(CCO)	C(OC[5,6])(CCH)(O)	O(CCO)	O(C[5,6]C[5,6,6]C[5,6]H)(CCO)	123.0975	1.057	2	123.0975	1.118	2	122.9747	0.198	9	123.5165	4.772	110	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:3:1:	3:	4:3:	O-2:C-3:O-1:	C-3:	C[5,6]-4:C-3:	C(OC[5,6])(CCH)(O)	O(CCO)	O(C[5,6]C[5,6]C[5]C[6])(CCO)	C(OC[5,6])(CCH)(O)	O(CCO)	O(C[5,6]C[5,6]C[5]C[6])(CCO)	123.0490	0.231	5	123.0490	0.053	5	122.9747	0.198	9	123.5165	4.772	110	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:3:1:	3:	4:3:	O-2:C-3:O-1:	C-3:	C[5]-4:C-3:	C(OC[5])(CCC)(O)	O(CCO)	O(C[5]C[5,5]C[5]H)(CCO)	C(OC[5])(CCC)(O)	O(CCO)	O(C[5]C[5,5]C[5]H)(CCO)	123.1445	0.005	2	123.1445	0.000	2	121.8823	11.272	14	123.5165	4.772	110	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:3:1:	3:	4:3:	O-2:C-3:O-1:	C-3:	C[5]-4:C-3:	C(OC[5])(CCC)(O)	O(CCO)	O(C[5]C[5,6]C[5]H)(CCO)	C(OC[5])(CCC)(O)	O(CCO)	O(C[5]C[5,6]C[5]H)(CCO)	123.1340	0.000	1	123.1340	0.000	1	121.8823	11.272	14	123.5165	4.772	110	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:3:1:	3:	4:3:	O-2:C-3:O-1:	C-3:	C[5]-4:C-3:	C(OC[5])(CCC)(O)	O(CCO)	O(C[5]C[5]2C)(CCO)	C(OC[5])(CCC)(O)	O(CCO)	O(C[5]C[5]2C)(CCO)	115.7857	0.391	3	115.7857	0.153	3	121.8823	11.272	14	123.5165	4.772	110	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:3:1:	3:	4:3:	O-2:C-3:O-1:	C-3:	C[5]-4:C-3:	C(OC[5])(CCH)(O)	O(CCO)	O(C[5]C[5,5]C[5]H)(CCO)	C(OC[5])(CCH)(O)	O(CCO)	O(C[5]C[5,5]C[5]H)(CCO)	123.8260	0.000	1	123.8260	0.000	1	121.8823	11.272	14	123.5165	4.772	110	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:3:1:	3:	4:3:	O-2:C-3:O-1:	C-3:	C[5]-4:C-3:	C(OC[5])(CCH)(O)	O(CCO)	O(C[5]C[5,6]C[5]H)(CCO)	C(OC[5])(CCH)(O)	O(CCO)	O(C[5]C[5,6]C[5]H)(CCO)	123.6055	0.357	2	123.6055	0.128	2	121.8823	11.272	14	123.5165	4.772	110	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:3:1:	3:	4:3:	O-2:C-3:O-1:	C-3:	C[5]-4:C-3:	C(OC[5])(CCH)(O)	O(CCO)	O(C[5]C[5]2H)(CCO)	C(OC[5])(CCH)(O)	O(CCO)	O(C[5]C[5]2H)(CCO)	124.0440	0.635	4	124.0440	0.403	4	121.8823	11.272	14	123.5165	4.772	110	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:3:1:	3:	4:3:	O-2:C-3:O-1:	C-3:	C[5]-4:C-3:	C(OC[5])(CHH)(O)	O(CCO)	O(C[5]C[5,6a]C[5]C)(CCO)	C(OC[5])(CHH)(O)	O(CCO)	O(C[5]C[5,6a]C[5]C)(CCO)	122.3590	0.000	1	122.3590	0.000	1	121.8823	11.272	14	123.5165	4.772	110	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:3:1:	3:	4:3:	O-2:C-3:O-1:	C-3:	C[6,6]-4:C-3:	C(OC[6,6])(CCC)(O)	O(CCO)	O(C[6,6]C[3x6]2C)(CCO)	C(OC[6,6])(CCC)(O)	O(CCO)	O(C[6,6]C[3x6]2C)(CCO)	124.8120	0.000	1	124.8120	0.000	1	122.3977	7.764	6	123.5165	4.772	110	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:3:1:	3:	4:3:	O-2:C-3:O-1:	C-3:	C[6,6]-4:C-3:	C(OC[6,6])(CCC)(O)	O(CCO)	O(C[6,6]C[3x6]2H)(CCO)	C(OC[6,6])(CCC)(O)	O(CCO)	O(C[6,6]C[3x6]2H)(CCO)	122.3830	0.000	1	122.3830	0.000	1	122.3977	7.764	6	123.5165	4.772	110	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:3:1:	3:	4:3:	O-2:C-3:O-1:	C-3:	C[6,6]-4:C-3:	C(OC[6,6])(CCH)(O)	O(CCO)	O(C[6,6]C[3x6]2H)(CCO)	C(OC[6,6])(CCH)(O)	O(CCO)	O(C[6,6]C[3x6]2H)(CCO)	123.4087	0.452	3	123.4087	0.205	3	122.3977	7.764	6	123.5165	4.772	110	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:3:1:	3:	4:3:	O-2:C-3:O-1:	C-3:	C[6,6]-4:C-3:	C(OC[6,6])(CS[5]C)(O)	O(CCO)	O(C[6,6]C[6,6]2H)(CCO)	C(OC[6,6])(CS[5]C)(O)	O(CCO)	O(C[6,6]C[6,6]2H)(CCO)	116.9650	0.000	1	116.9650	0.000	1	122.3977	7.764	6	123.5165	4.772	110	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:3:1:	3:	4:3:	O-2:C-3:O-1:	C-3:	C[6]-4:C-3:	C(OC[6])(CCC)(O)	O(CCO)	O(C[6]C[5,6,6]C[6]H)(CCO)	C(OC[6])(CCC)(O)	O(CCO)	O(C[6]C[5,6,6]C[6]H)(CCO)	122.8710	0.000	1	122.8710	0.000	1	123.6046	1.897	50	123.5165	4.772	110	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:3:1:	3:	4:3:	O-2:C-3:O-1:	C-3:	C[6]-4:C-3:	C(OC[6])(CCC)(O)	O(CCO)	O(C[6]C[5,6]C[6,6]H)(CCO)	C(OC[6])(CCC)(O)	O(CCO)	O(C[6]C[5,6]C[6,6]H)(CCO)	122.6400	0.000	1	122.6400	0.000	1	123.6046	1.897	50	123.5165	4.772	110	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:3:1:	3:	4:3:	O-2:C-3:O-1:	C-3:	C[6]-4:C-3:	C(OC[6])(CCC)(O)	O(CCO)	O(C[6]C[5,6]C[6]H)(CCO)	C(OC[6])(CCC)(O)	O(CCO)	O(C[6]C[5,6]C[6]H)(CCO)	123.3700	0.547	4	123.3700	0.299	4	123.6046	1.897	50	123.5165	4.772	110	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:3:1:	3:	4:3:	O-2:C-3:O-1:	C-3:	C[6]-4:C-3:	C(OC[6])(CCC)(O)	O(CCO)	O(C[6]C[5a,6]C[6,6]H)(CCO)	C(OC[6])(CCC)(O)	O(CCO)	O(C[6]C[5a,6]C[6,6]H)(CCO)	122.4390	0.000	1	122.4390	0.000	1	123.6046	1.897	50	123.5165	4.772	110	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:3:1:	3:	4:3:	O-2:C-3:O-1:	C-3:	C[6]-4:C-3:	C(OC[6])(CCC)(O)	O(CCO)	O(C[6]C[6,6]C[6]H)(CCO)	C(OC[6])(CCC)(O)	O(CCO)	O(C[6]C[6,6]C[6]H)(CCO)	122.8062	0.533	5	122.8062	0.284	5	123.6046	1.897	50	123.5165	4.772	110	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:3:1:	3:	4:3:	O-2:C-3:O-1:	C-3:	C[6]-4:C-3:	C(OC[6])(CCC)(O)	O(CCO)	O(C[6]C[6]2H)(CCO)	C(OC[6])(CCC)(O)	O(CCO)	O(C[6]C[6]2H)(CCO)	122.2877	1.945	6	122.2877	3.781	6	123.6046	1.897	50	123.5165	4.772	110	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:3:1:	3:	4:3:	O-2:C-3:O-1:	C-3:	C[6]-4:C-3:	C(OC[6])(CCH)(O)	O(CCO)	O(C[6]C[5,6]C[6]H)(CCO)	C(OC[6])(CCH)(O)	O(CCO)	O(C[6]C[5,6]C[6]H)(CCO)	123.5910	0.000	1	123.5910	0.000	1	123.6046	1.897	50	123.5165	4.772	110	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:3:1:	3:	4:3:	O-2:C-3:O-1:	C-3:	C[6]-4:C-3:	C(OC[6])(CCH)(O)	O(CCO)	O(C[6]C[6,6]C[6]H)(CCO)	C(OC[6])(CCH)(O)	O(CCO)	O(C[6]C[6,6]C[6]H)(CCO)	123.5249	0.811	11	123.5249	0.658	11	123.6046	1.897	50	123.5165	4.772	110	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:3:1:	3:	4:3:	O-2:C-3:O-1:	C-3:	C[6]-4:C-3:	C(OC[6])(CCH)(O)	O(CCO)	O(C[6]C[6,6a]C[6]H)(CCO)	C(OC[6])(CCH)(O)	O(CCO)	O(C[6]C[6,6a]C[6]H)(CCO)	122.8600	0.000	1	122.8600	0.000	1	123.6046	1.897	50	123.5165	4.772	110	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:3:1:	3:	4:3:	O-2:C-3:O-1:	C-3:	C[6]-4:C-3:	C(OC[6])(CCH)(O)	O(CCO)	O(C[6]C[6]2H)(CCO)	C(OC[6])(CCH)(O)	O(CCO)	O(C[6]C[6]2H)(CCO)	123.9048	0.518	8	123.9048	0.268	8	123.6046	1.897	50	123.5165	4.772	110	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:3:1:	3:	4:3:	O-2:C-3:O-1:	C-3:	C[6]-4:C-3:	C(OC[6])(CCH)(O)	O(CCO)	O(C[6]C[6]O[6]H)(CCO)	C(OC[6])(CCH)(O)	O(CCO)	O(C[6]C[6]O[6]H)(CCO)	123.3700	0.000	1	123.3700	0.000	1	123.6046	1.897	50	123.5165	4.772	110	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:3:1:	3:	4:3:	O-2:C-3:O-1:	C-3:	C[6]-4:C-3:	C(OC[6])(CCS)(O)	O(CCO)	O(C[6]C[6]2H)(CCO)	C(OC[6])(CCS)(O)	O(CCO)	O(C[6]C[6]2H)(CCO)	123.2320	0.000	1	123.2320	0.000	1	123.6046	1.897	50	123.5165	4.772	110	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:3:1:	3:	4:3:	O-2:C-3:O-1:	C-3:	C[6]-4:C-3:	C(OC[6])(CHH)(O)	O(CCO)	O(C[6]C[5,6]C[6]H)(CCO)	C(OC[6])(CHH)(O)	O(CCO)	O(C[6]C[5,6]C[6]H)(CCO)	122.8840	0.000	1	122.8840	0.000	1	123.6046	1.897	50	123.5165	4.772	110	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:3:1:	3:	4:3:	O-2:C-3:O-1:	C-3:	C[6]-4:C-3:	C(OC[6])(CHH)(O)	O(CCO)	O(C[6]C[6]2H)(CCO)	C(OC[6])(CHH)(O)	O(CCO)	O(C[6]C[6]2H)(CCO)	124.3475	0.152	2	124.3475	0.023	2	123.6046	1.897	50	123.5165	4.772	110	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:3:1:	3:	4:3:	O-2:C-3:O-1:	C-3:	C[6]-4:C-3:	C(OC[6])(CHO)(O)	O(CCO)	O(C[6]C[6]2H)(CCO)	C(OC[6])(CHO)(O)	O(CCO)	O(C[6]C[6]2H)(CCO)	124.7980	0.853	2	124.7980	0.727	2	123.6046	1.897	50	123.5165	4.772	110	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:3:1:	3:	4:3:	O-2:C-3:O-1:	C-3:	C[6]-4:C-3:	C(OC[6])(COO)(O)	O(CCO)	O(C[6]C[6]2H)(CCO)	C(OC[6])(COO)(O)	O(CCO)	O(C[6]C[6]2H)(CCO)	126.7013	0.778	4	126.7013	0.605	4	123.6046	1.897	50	123.5165	4.772	110	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:3:1:	3:	4:3:	O-2:N-3:O-1:	C-3:	C[3x6]-4:C-3:	C(OC[3x6])(NC[5]N)(O)	O(CNO)	O(C[3x6]C[6,6]3)(CNO)	C(OC[3x6])(NC[5]N)(O)	O(CNO)	O(C[3x6]C[6,6]3)(CNO)	127.6560	0.000	1	127.6560	0.000	1	128.0515	0.313	2	123.5165	4.772	110	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:3:1:	3:	4:3:	O-2:N-3:O-1:	C-3:	C[3x6]-4:C-3:	C(OC[3x6])(NHN)(O)	O(CNO)	O(C[3x6]C[6,6]3)(CNO)	C(OC[3x6])(NHN)(O)	O(CNO)	O(C[3x6]C[6,6]3)(CNO)	128.4470	0.000	1	128.4470	0.000	1	128.0515	0.313	2	123.5165	4.772	110	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:3:1:	3:	4:3:	O-2:N-3:O-1:	C-3:	C[5,5,6]-4:C-3:	C(OC[5,5,6])(NCC)(O)	O(CNO)	O(C[5,5,6]C[3x5,6]C[5,6]C[5])(CNO)	C(OC[5,5,6])(NCC)(O)	O(CNO)	O(C[5,5,6]C[3x5,6]C[5,6]C[5])(CNO)	121.8110	0.000	1	121.8110	0.000	1	121.8110	0.000	1	123.5165	4.772	110	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:3:1:	3:	4:3:	O-2:N-3:O-1:	C-3:	C[5,6]-4:C-3:	C(OC[5,6])(NCC)(O)	O(CNO)	O(C[5,6]C[5,5,6]C[5,6]C)(CNO)	C(OC[5,6])(NCC)(O)	O(CNO)	O(C[5,6]C[5,5,6]C[5,6]C)(CNO)	121.9267	0.334	4	121.9267	0.112	4	121.9267	0.112	4	123.5165	4.772	110	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:3:1:	3:	4:3:	O-2:N-3:O-1:	C-3:	C[5]-4:C-3:	C(OC[5])(NCC)(O)	O(CNO)	O(C[5]C[5,6]C[3]C[5])(CNO)	C(OC[5])(NCC)(O)	O(CNO)	O(C[5]C[5,6]C[3]C[5])(CNO)	124.6400	0.000	1	124.6400	0.000	1	124.4243	0.361	6	123.5165	4.772	110	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:3:1:	3:	4:3:	O-2:N-3:O-1:	C-3:	C[5]-4:C-3:	C(OC[5])(NCH)(O)	O(CNO)	O(C[5]C[5,5]C[5]H)(CNO)	C(OC[5])(NCH)(O)	O(CNO)	O(C[5]C[5,5]C[5]H)(CNO)	124.0925	0.045	2	124.0925	0.002	2	124.4243	0.361	6	123.5165	4.772	110	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:3:1:	3:	4:3:	O-2:N-3:O-1:	C-3:	C[5]-4:C-3:	C(OC[5])(NCH)(O)	O(CNO)	O(C[5]C[5]2H)(CNO)	C(OC[5])(NCH)(O)	O(CNO)	O(C[5]C[5]2H)(CNO)	124.5737	0.857	3	124.5737	0.734	3	124.4243	0.361	6	123.5165	4.772	110	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:3:1:	3:	4:3:	O-2:N-3:O-1:	C-3:	C[6]-4:C-3:	C(OC[6])(NCC)(O)	O(CNO)	O(C[6]C[6,6]C[6]H)(CNO)	C(OC[6])(NCC)(O)	O(CNO)	O(C[6]C[6,6]C[6]H)(CNO)	123.0285	1.186	2	123.0285	1.406	2	124.1891	2.732	16	123.5165	4.772	110	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:3:1:	3:	4:3:	O-2:N-3:O-1:	C-3:	C[6]-4:C-3:	C(OC[6])(NCC)(O)	O(CNO)	O(C[6]C[6]2H)(CNO)	C(OC[6])(NCC)(O)	O(CNO)	O(C[6]C[6]2H)(CNO)	121.8660	0.553	2	121.8660	0.306	2	124.1891	2.732	16	123.5165	4.772	110	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:3:1:	3:	4:3:	O-2:N-3:O-1:	C-3:	C[6]-4:C-3:	C(OC[6])(NCH)(O)	O(CNO)	O(C[6]C[5,6,6]C[6]H)(CNO)	C(OC[6])(NCH)(O)	O(CNO)	O(C[6]C[5,6,6]C[6]H)(CNO)	125.4040	0.000	1	125.4040	0.000	1	124.1891	2.732	16	123.5165	4.772	110	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:3:1:	3:	4:3:	O-2:N-3:O-1:	C-3:	C[6]-4:C-3:	C(OC[6])(NCH)(O)	O(CNO)	O(C[6]C[6,6a]C[6]C)(CNO)	C(OC[6])(NCH)(O)	O(CNO)	O(C[6]C[6,6a]C[6]C)(CNO)	123.3410	0.000	1	123.3410	0.000	1	124.1891	2.732	16	123.5165	4.772	110	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:3:1:	3:	4:3:	O-2:N-3:O-1:	C-3:	C[6]-4:C-3:	C(OC[6])(NCH)(O)	O(CNO)	O(C[6]C[6]2H)(CNO)	C(OC[6])(NCH)(O)	O(CNO)	O(C[6]C[6]2H)(CNO)	124.8491	1.462	10	124.8491	2.137	10	124.1891	2.732	16	123.5165	4.772	110	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:3:1:	3:	5:3:	O-2:N-3:O-1:	C-3:	P[5,5]-5:C-3:	C(OP[5,5])(NCC)(O)	O(CNO)	O(P[5,5]N[5]2O[5]2)(CNO)	C(OP[5,5])(NCC)(O)	O(CNO)	O(P[5,5]N[5]2O[5]2)(CNO)	121.9985	1.034	2	121.9985	1.070	2	121.9985	1.070	2	121.9985	1.070	2	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:3:1:	3:	6:3:	O-2:C[5a]-3:O-1:	C-3:	B[5x3,5x5,20x6]-6:C-3:	C(OB[5x3,5x5,20x6])(C[5a]C[5a]N[5a])(O)	O(CC[5a]O)	O(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(CC[5a]O)	C(OB[5x3,5x5,20x6])(C[5a]C[5a]N[5a])(O)	O(CC[5a]O)	O(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(CC[5a]O)	122.5200	0.000	1	122.5200	0.000	1	122.5200	0.000	1	122.5200	0.000	1	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	3:3:	O-2:C-4:O-1:	C-3:	C[5]-3:C-3:	C(OC[5])(CH3)(O)	O(CCO)	O(C[5]C[5,5,6]C[5])(CCO)	C(OC[5])(CH3)(O)	O(CCO)	O(C[5]C[5,5,6]C[5])(CCO)	122.9280	0.874	2	122.9280	0.764	2	122.6644	0.514	16	122.5695	2.265	479	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	3:3:	O-2:C-4:O-1:	C-3:	C[5]-3:C-3:	C(OC[5])(CH3)(O)	O(CCO)	O(C[5]C[5,5]C[5])(CCO)	C(OC[5])(CH3)(O)	O(CCO)	O(C[5]C[5,5]C[5])(CCO)	123.4470	0.000	1	123.4470	0.000	1	122.6644	0.514	16	122.5695	2.265	479	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	3:3:	O-2:C-4:O-1:	C-3:	C[5]-3:C-3:	C(OC[5])(CH3)(O)	O(CCO)	O(C[5]C[5,6]C[5])(CCO)	C(OC[5])(CH3)(O)	O(CCO)	O(C[5]C[5,6]C[5])(CCO)	122.8695	0.970	4	122.8695	0.940	4	122.6644	0.514	16	122.5695	2.265	479	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	3:3:	O-2:C-4:O-1:	C-3:	C[5]-3:C-3:	C(OC[5])(CH3)(O)	O(CCO)	O(C[5]C[5]2)(CCO)	C(OC[5])(CH3)(O)	O(CCO)	O(C[5]C[5]2)(CCO)	122.4278	0.581	9	122.4278	0.338	9	122.6644	0.514	16	122.5695	2.265	479	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	3:3:	O-2:C-4:O-1:	C-3:	C[5a]-3:C-3:	C(OC[5a])(CCHH)(O)	O(CCO)	O(C[5a]C[5a,6a]C[5a])(CCO)	C(OC[5a])(CCHH)(O)	O(CCO)	O(C[5a]C[5a,6a]C[5a])(CCO)	116.3890	0.000	1	116.3890	0.000	1	121.7949	3.984	22	122.5695	2.265	479	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	3:3:	O-2:C-4:O-1:	C-3:	C[5a]-3:C-3:	C(OC[5a])(CCHH)(O)	O(CCO)	O(C[5a]C[5a]N[5a])(CCO)	C(OC[5a])(CCHH)(O)	O(CCO)	O(C[5a]C[5a]N[5a])(CCO)	116.1360	0.000	1	116.1360	0.000	1	121.7949	3.984	22	122.5695	2.265	479	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	3:3:	O-2:C-4:O-1:	C-3:	C[5a]-3:C-3:	C(OC[5a])(CH3)(O)	O(CCO)	O(C[5a]C[5a,6]C[5a])(CCO)	C(OC[5a])(CH3)(O)	O(CCO)	O(C[5a]C[5a,6]C[5a])(CCO)	122.9740	0.000	1	122.9740	0.000	1	121.7949	3.984	22	122.5695	2.265	479	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	3:3:	O-2:C-4:O-1:	C-3:	C[5a]-3:C-3:	C(OC[5a])(CH3)(O)	O(CCO)	O(C[5a]C[5a,6a]C[5a])(CCO)	C(OC[5a])(CH3)(O)	O(CCO)	O(C[5a]C[5a,6a]C[5a])(CCO)	123.1298	0.876	4	123.1298	0.767	4	121.7949	3.984	22	122.5695	2.265	479	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	3:3:	O-2:C-4:O-1:	C-3:	C[5a]-3:C-3:	C(OC[5a])(CH3)(O)	O(CCO)	O(C[5a]C[5a]2)(CCO)	C(OC[5a])(CH3)(O)	O(CCO)	O(C[5a]C[5a]2)(CCO)	122.9915	0.955	4	122.9915	0.912	4	121.7949	3.984	22	122.5695	2.265	479	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	3:3:	O-2:C-4:O-1:	C-3:	C[5a]-3:C-3:	C(OC[5a])(CH3)(O)	O(CCO)	O(C[5a]C[5a]N[5a])(CCO)	C(OC[5a])(CH3)(O)	O(CCO)	O(C[5a]C[5a]N[5a])(CCO)	121.7156	0.627	8	121.7156	0.393	8	121.7949	3.984	22	122.5695	2.265	479	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	3:3:	O-2:C-4:O-1:	C-3:	C[5a]-3:C-3:	C(OC[5a])(CH3)(O)	O(CCO)	O(C[5a]C[5a]S[5a])(CCO)	C(OC[5a])(CH3)(O)	O(CCO)	O(C[5a]C[5a]S[5a])(CCO)	121.9263	0.376	3	121.9263	0.141	3	121.7949	3.984	22	122.5695	2.265	479	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	3:3:	O-2:C-4:O-1:	C-3:	C[6]-3:C-3:	C(OC[6])(CC3)(O)	O(CCO)	O(C[6]C[6,6a]C[6])(CCO)	C(OC[6])(CC3)(O)	O(CCO)	O(C[6]C[6,6a]C[6])(CCO)	122.0080	0.000	1	122.0080	0.000	1	122.5924	0.557	29	122.5695	2.265	479	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	3:3:	O-2:C-4:O-1:	C-3:	C[6]-3:C-3:	C(OC[6])(CC3)(O)	O(CCO)	O(C[6]C[6]2)(CCO)	C(OC[6])(CC3)(O)	O(CCO)	O(C[6]C[6]2)(CCO)	122.2403	0.435	3	122.2403	0.189	3	122.5924	0.557	29	122.5695	2.265	479	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	3:3:	O-2:C-4:O-1:	C-3:	C[6]-3:C-3:	C(OC[6])(CH3)(O)	O(CCO)	O(C[6]C[5,6]C[6])(CCO)	C(OC[6])(CH3)(O)	O(CCO)	O(C[6]C[5,6]C[6])(CCO)	123.4855	1.259	2	123.4855	1.586	2	122.5924	0.557	29	122.5695	2.265	479	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	3:3:	O-2:C-4:O-1:	C-3:	C[6]-3:C-3:	C(OC[6])(CH3)(O)	O(CCO)	O(C[6]C[6,6]C[6])(CCO)	C(OC[6])(CH3)(O)	O(CCO)	O(C[6]C[6,6]C[6])(CCO)	123.2120	0.613	5	123.2120	0.375	5	122.5924	0.557	29	122.5695	2.265	479	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	3:3:	O-2:C-4:O-1:	C-3:	C[6]-3:C-3:	C(OC[6])(CH3)(O)	O(CCO)	O(C[6]C[6,6a]C[6])(CCO)	C(OC[6])(CH3)(O)	O(CCO)	O(C[6]C[6,6a]C[6])(CCO)	122.1553	0.921	6	122.1553	0.849	6	122.5924	0.557	29	122.5695	2.265	479	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	3:3:	O-2:C-4:O-1:	C-3:	C[6]-3:C-3:	C(OC[6])(CH3)(O)	O(CCO)	O(C[6]C[6]2)(CCO)	C(OC[6])(CH3)(O)	O(CCO)	O(C[6]C[6]2)(CCO)	122.5406	0.476	12	122.5406	0.227	12	122.5924	0.557	29	122.5695	2.265	479	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	3:3:	O-2:C-4:O-1:	C-3:	C[6a]-3:C-3:	C(OC[6a])(CBrCC)(O)	O(CCO)	O(C[6a]C[6a]2)(CCO)	C(OC[6a])(CBrCC)(O)	O(CCO)	O(C[6a]C[6a]2)(CCO)	123.5705	0.015	2	123.5705	0.000	2	122.5384	2.021	403	122.5695	2.265	479	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	3:3:	O-2:C-4:O-1:	C-3:	C[6a]-3:C-3:	C(OC[6a])(CC3)(O)	O(CCO)	O(C[6a]C[6,6,6a]C[6a])(CCO)	C(OC[6a])(CC3)(O)	O(CCO)	O(C[6a]C[6,6,6a]C[6a])(CCO)	122.2500	0.000	1	122.2500	0.000	1	122.5384	2.021	403	122.5695	2.265	479	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	3:3:	O-2:C-4:O-1:	C-3:	C[6a]-3:C-3:	C(OC[6a])(CC3)(O)	O(CCO)	O(C[6a]C[6a]2)(CCO)	C(OC[6a])(CC3)(O)	O(CCO)	O(C[6a]C[6a]2)(CCO)	122.5423	0.688	7	122.5423	0.473	7	122.5384	2.021	403	122.5695	2.265	479	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	3:3:	O-2:C-4:O-1:	C-3:	C[6a]-3:C-3:	C(OC[6a])(CCCH)(O)	O(CCO)	O(C[6a]C[6a,6a]C[6a])(CCO)	C(OC[6a])(CCCH)(O)	O(CCO)	O(C[6a]C[6a,6a]C[6a])(CCO)	122.7360	0.000	1	122.7360	0.000	1	122.5384	2.021	403	122.5695	2.265	479	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	3:3:	O-2:C-4:O-1:	C-3:	C[6a]-3:C-3:	C(OC[6a])(CCCH)(O)	O(CCO)	O(C[6a]C[6a]2)(CCO)	C(OC[6a])(CCCH)(O)	O(CCO)	O(C[6a]C[6a]2)(CCO)	119.3299	2.823	8	119.3299	7.968	8	122.5384	2.021	403	122.5695	2.265	479	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	3:3:	O-2:C-4:O-1:	C-3:	C[6a]-3:C-3:	C(OC[6a])(CCHH)(O)	O(CCO)	O(C[6a]C[5,6a]C[6a])(CCO)	C(OC[6a])(CCHH)(O)	O(CCO)	O(C[6a]C[5,6a]C[6a])(CCO)	116.6070	0.000	1	116.6070	0.000	1	122.5384	2.021	403	122.5695	2.265	479	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	3:3:	O-2:C-4:O-1:	C-3:	C[6a]-3:C-3:	C(OC[6a])(CCHH)(O)	O(CCO)	O(C[6a]C[5a,6a]C[6a])(CCO)	C(OC[6a])(CCHH)(O)	O(CCO)	O(C[6a]C[5a,6a]C[6a])(CCO)	116.0440	0.000	1	116.0440	0.000	1	122.5384	2.021	403	122.5695	2.265	479	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	3:3:	O-2:C-4:O-1:	C-3:	C[6a]-3:C-3:	C(OC[6a])(CCHH)(O)	O(CCO)	O(C[6a]C[6a,6a]C[6a])(CCO)	C(OC[6a])(CCHH)(O)	O(CCO)	O(C[6a]C[6a,6a]C[6a])(CCO)	124.5830	0.000	1	124.5830	0.000	1	122.5384	2.021	403	122.5695	2.265	479	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	3:3:	O-2:C-4:O-1:	C-3:	C[6a]-3:C-3:	C(OC[6a])(CCHH)(O)	O(CCO)	O(C[6a]C[6a]2)(CCO)	C(OC[6a])(CCHH)(O)	O(CCO)	O(C[6a]C[6a]2)(CCO)	121.5061	2.521	27	121.5061	6.356	27	122.5384	2.021	403	122.5695	2.265	479	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	3:3:	O-2:C-4:O-1:	C-3:	C[6a]-3:C-3:	C(OC[6a])(CCHN)(O)	O(CCO)	O(C[6a]C[6a]2)(CCO)	C(OC[6a])(CCHN)(O)	O(CCO)	O(C[6a]C[6a]2)(CCO)	123.4717	0.351	3	123.4717	0.123	3	122.5384	2.021	403	122.5695	2.265	479	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	3:3:	O-2:C-4:O-1:	C-3:	C[6a]-3:C-3:	C(OC[6a])(CCHO)(O)	O(CCO)	O(C[6a]C[6a]2)(CCO)	C(OC[6a])(CCHO)(O)	O(CCO)	O(C[6a]C[6a]2)(CCO)	124.1710	0.864	8	124.1710	0.746	8	122.5384	2.021	403	122.5695	2.265	479	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	3:3:	O-2:C-4:O-1:	C-3:	C[6a]-3:C-3:	C(OC[6a])(CF3)(O)	O(CCO)	O(C[6a]C[6a]2)(CCO)	C(OC[6a])(CF3)(O)	O(CCO)	O(C[6a]C[6a]2)(CCO)	130.3310	0.000	1	130.3310	0.000	1	122.5384	2.021	403	122.5695	2.265	479	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	3:3:	O-2:C-4:O-1:	C-3:	C[6a]-3:C-3:	C(OC[6a])(CH3)(O)	O(CCO)	O(C[6a]C[5,6,6a]C[6a])(CCO)	C(OC[6a])(CH3)(O)	O(CCO)	O(C[6a]C[5,6,6a]C[6a])(CCO)	122.6192	0.473	6	122.6192	0.223	6	122.5384	2.021	403	122.5695	2.265	479	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	3:3:	O-2:C-4:O-1:	C-3:	C[6a]-3:C-3:	C(OC[6a])(CH3)(O)	O(CCO)	O(C[6a]C[5,6a]C[6a])(CCO)	C(OC[6a])(CH3)(O)	O(CCO)	O(C[6a]C[5,6a]C[6a])(CCO)	123.2892	0.247	4	123.2892	0.061	4	122.5384	2.021	403	122.5695	2.265	479	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	3:3:	O-2:C-4:O-1:	C-3:	C[6a]-3:C-3:	C(OC[6a])(CH3)(O)	O(CCO)	O(C[6a]C[5a,6a]C[6a])(CCO)	C(OC[6a])(CH3)(O)	O(CCO)	O(C[6a]C[5a,6a]C[6a])(CCO)	122.7091	0.572	8	122.7091	0.328	8	122.5384	2.021	403	122.5695	2.265	479	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	3:3:	O-2:C-4:O-1:	C-3:	C[6a]-3:C-3:	C(OC[6a])(CH3)(O)	O(CCO)	O(C[6a]C[6,6,6a]C[6a])(CCO)	C(OC[6a])(CH3)(O)	O(CCO)	O(C[6a]C[6,6,6a]C[6a])(CCO)	122.5500	0.101	3	122.5500	0.010	3	122.5384	2.021	403	122.5695	2.265	479	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	3:3:	O-2:C-4:O-1:	C-3:	C[6a]-3:C-3:	C(OC[6a])(CH3)(O)	O(CCO)	O(C[6a]C[6,6a]C[6a])(CCO)	C(OC[6a])(CH3)(O)	O(CCO)	O(C[6a]C[6,6a]C[6a])(CCO)	122.9184	0.725	8	122.9184	0.525	8	122.5384	2.021	403	122.5695	2.265	479	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	3:3:	O-2:C-4:O-1:	C-3:	C[6a]-3:C-3:	C(OC[6a])(CH3)(O)	O(CCO)	O(C[6a]C[6a,6a]C[6a])(CCO)	C(OC[6a])(CH3)(O)	O(CCO)	O(C[6a]C[6a,6a]C[6a])(CCO)	122.6692	0.555	19	122.6692	0.308	19	122.5384	2.021	403	122.5695	2.265	479	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	3:3:	O-2:C-4:O-1:	C-3:	C[6a]-3:C-3:	C(OC[6a])(CH3)(O)	O(CCO)	O(C[6a]C[6a]2)(CCO)	C(OC[6a])(CH3)(O)	O(CCO)	O(C[6a]C[6a]2)(CCO)	122.6572	0.897	271	122.6572	0.804	271	122.5384	2.021	403	122.5695	2.265	479	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	3:3:	O-2:C-4:O-1:	C-3:	C[6a]-3:C-3:	C(OC[6a])(CHHN)(O)	O(CCO)	O(C[6a]C[6a]2)(CCO)	C(OC[6a])(CHHN)(O)	O(CCO)	O(C[6a]C[6a]2)(CCO)	124.5110	0.000	1	124.5110	0.000	1	122.5384	2.021	403	122.5695	2.265	479	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	3:3:	O-2:C-4:O-1:	C-3:	C[6a]-3:C-3:	C(OC[6a])(CHHO)(O)	O(CCO)	O(C[6a]C[6a]2)(CCO)	C(OC[6a])(CHHO)(O)	O(CCO)	O(C[6a]C[6a]2)(CCO)	124.6196	0.801	5	124.6196	0.642	5	122.5384	2.021	403	122.5695	2.265	479	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	3:3:	O-2:C-4:O-1:	C-3:	C[6a]-3:C-3:	C(OC[6a])(CHHS)(O)	O(CCO)	O(C[6a]C[6a]2)(CCO)	C(OC[6a])(CHHS)(O)	O(CCO)	O(C[6a]C[6a]2)(CCO)	117.6380	0.000	1	117.6380	0.000	1	122.5384	2.021	403	122.5695	2.265	479	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	3:3:	O-2:C-4:O-1:	C-3:	C[6a]-3:C-3:	C(OC[6a])(CNiCH)(O)	O(CCO)	O(C[6a]C[6a]2)(CCO)	C(OC[6a])(CNiCH)(O)	O(CCO)	O(C[6a]C[6a]2)(CCO)	122.6700	0.366	3	122.6700	0.134	3	122.5384	2.021	403	122.5695	2.265	479	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	3:3:	O-2:C-4:O-1:	C-3:	C[6a]-3:C-3:	C(OC[6a])(CPdCH)(O)	O(CCO)	O(C[6a]C[6a]2)(CCO)	C(OC[6a])(CPdCH)(O)	O(CCO)	O(C[6a]C[6a]2)(CCO)	121.5392	0.330	4	121.5392	0.109	4	122.5384	2.021	403	122.5695	2.265	479	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	3:3:	O-2:C-4:O-1:	C-3:	C[6a]-3:C-3:	C(OC[6a])(CPtCH)(O)	O(CCO)	O(C[6a]C[6a]2)(CCO)	C(OC[6a])(CPtCH)(O)	O(CCO)	O(C[6a]C[6a]2)(CCO)	121.6278	0.404	9	121.6278	0.164	9	122.5384	2.021	403	122.5695	2.265	479	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	3:3:	O-2:C-4:O-1:	C-3:	I[5]-3:C-3:	C(OI[5])(CF3)(O)	O(CCO)	O(I[5]C[5,6a]O[5])(CCO)	C(OI[5])(CF3)(O)	O(CCO)	O(I[5]C[5,6a]O[5])(CCO)	128.2185	0.810	4	128.2185	0.656	4	128.2185	0.656	4	122.5695	2.265	479	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	3:3:	O-2:C-4:O-1:	C-3:	N[5]-3:C-3:	C(ON[5])(CCCH)(O)	O(CCO)	O(N[5]C[5]2)(CCO)	C(ON[5])(CCCH)(O)	O(CCO)	O(N[5]C[5]2)(CCO)	121.7880	0.000	1	121.7880	0.000	1	123.5232	3.866	5	122.5695	2.265	479	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	3:3:	O-2:C-4:O-1:	C-3:	N[5]-3:C-3:	C(ON[5])(CCCN)(O)	O(CCO)	O(N[5]C[5]2)(CCO)	C(ON[5])(CCCN)(O)	O(CCO)	O(N[5]C[5]2)(CCO)	122.5190	0.000	1	122.5190	0.000	1	123.5232	3.866	5	122.5695	2.265	479	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	3:3:	O-2:C-4:O-1:	C-3:	N[5]-3:C-3:	C(ON[5])(CCHH)(O)	O(CCO)	O(N[5]C[5]2)(CCO)	C(ON[5])(CCHH)(O)	O(CCO)	O(N[5]C[5]2)(CCO)	122.0910	0.000	1	122.0910	0.000	1	123.5232	3.866	5	122.5695	2.265	479	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	3:3:	O-2:C-4:O-1:	C-3:	N[5]-3:C-3:	C(ON[5])(CCHN)(O)	O(CCO)	O(N[5]C[5]2)(CCO)	C(ON[5])(CCHN)(O)	O(CCO)	O(N[5]C[5]2)(CCO)	126.1980	0.000	1	126.1980	0.000	1	123.5232	3.866	5	122.5695	2.265	479	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	3:3:	O-2:C-4:O-1:	C-3:	N[5]-3:C-3:	C(ON[5])(CH3)(O)	O(CCO)	O(N[5]C[5]2)(CCO)	C(ON[5])(CH3)(O)	O(CCO)	O(N[5]C[5]2)(CCO)	125.0200	0.000	1	125.0200	0.000	1	123.5232	3.866	5	122.5695	2.265	479	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	B[3x6]-4:C-3:	C(OB[3x6])(CF3)(O)	O(CCO)	O(B[3x6]N[5a,6,6]3)(CCO)	C(OB[3x6])(CF3)(O)	O(CCO)	O(B[3x6]N[5a,6,6]3)(CCO)	129.7020	0.000	1	129.7020	0.000	1	129.7020	0.000	1	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	B[5,5]-4:C-3:	C(OB[5,5])(CH3)(O)	O(CCO)	O(B[5,5]N[5,5]O[5]2)(CCO)	C(OB[5,5])(CH3)(O)	O(CCO)	O(B[5,5]N[5,5]O[5]2)(CCO)	122.9540	0.409	2	122.9540	0.167	2	122.9540	0.167	2	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	B[5]-4:C-3:	C(OB[5])(CH3)(O)	O(CCO)	O(B[5]C[5,6a]C[6a]C[5])(CCO)	C(OB[5])(CH3)(O)	O(CCO)	O(B[5]C[5,6a]C[6a]C[5])(CCO)	124.8430	0.000	1	124.8430	0.000	1	123.1170	1.142	5	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	B[5]-4:C-3:	C(OB[5])(CH3)(O)	O(CCO)	O(B[5]C[5x3,6x5,20x6]N[5]O)(CCO)	C(OB[5])(CH3)(O)	O(CCO)	O(B[5]C[5x3,6x5,20x6]N[5]O)(CCO)	122.6855	0.531	4	122.6855	0.282	4	123.1170	1.142	5	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	B[6]-4:C-3:	C(OB[6])(CCHH)(O)	O(CCO)	O(B[6]N[5a,6]2O)(CCO)	C(OB[6])(CCHH)(O)	O(CCO)	O(B[6]N[5a,6]2O)(CCO)	123.3580	0.000	1	123.3580	0.000	1	123.4936	0.236	10	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	B[6]-4:C-3:	C(OB[6])(CH3)(O)	O(CCO)	O(B[6]C[6,6a]N[6,6]O)(CCO)	C(OB[6])(CH3)(O)	O(CCO)	O(B[6]C[6,6a]N[6,6]O)(CCO)	124.2550	0.000	1	124.2550	0.000	1	123.4936	0.236	10	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	B[6]-4:C-3:	C(OB[6])(CH3)(O)	O(CCO)	O(B[6]N[5a,6]2F)(CCO)	C(OB[6])(CH3)(O)	O(CCO)	O(B[6]N[5a,6]2F)(CCO)	123.8490	0.557	2	123.8490	0.310	2	123.4936	0.236	10	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	B[6]-4:C-3:	C(OB[6])(CH3)(O)	O(CCO)	O(B[6]N[6]2O)(CCO)	C(OB[6])(CH3)(O)	O(CCO)	O(B[6]N[6]2O)(CCO)	123.2708	0.364	6	123.2708	0.132	6	123.4936	0.236	10	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	B[6a]-4:C-3:	C(OB[6a])(CH3)(O)	O(CCO)	O(B[6a]O[6a]2O)(CCO)	C(OB[6a])(CH3)(O)	O(CCO)	O(B[6a]O[6a]2O)(CCO)	123.9225	0.342	2	123.9225	0.117	2	123.9225	0.117	2	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[3,5]-4:C-3:	C(OC[3,5])(CH3)(O)	O(CCO)	O(C[3,5]C[3,5]C[3]C[5])(CCO)	C(OC[3,5])(CH3)(O)	O(CCO)	O(C[3,5]C[3,5]C[3]C[5])(CCO)	123.2740	0.000	1	123.2740	0.000	1	123.2740	0.000	1	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[3,6]-4:C-3:	C(OC[3,6])(CCCH)(O)	O(CCO)	O(C[3,6]C[3,6]C[3]C[6])(CCO)	C(OC[3,6])(CCCH)(O)	O(CCO)	O(C[3,6]C[3,6]C[3]C[6])(CCO)	123.7540	0.414	2	123.7540	0.172	2	122.8140	1.721	8	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[3,6]-4:C-3:	C(OC[3,6])(CH3)(O)	O(CCO)	O(C[3,6]C[3,6]C[3]C[6])(CCO)	C(OC[3,6])(CH3)(O)	O(CCO)	O(C[3,6]C[3,6]C[3]C[6])(CCO)	124.1815	0.459	2	124.1815	0.211	2	122.8140	1.721	8	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[3,6]-4:C-3:	C(OC[3,6])(CH3)(O)	O(CCO)	O(C[3,6]C[3,6]N[3]O[6])(CCO)	C(OC[3,6])(CH3)(O)	O(CCO)	O(C[3,6]C[3,6]N[3]O[6])(CCO)	121.6603	0.527	4	121.6603	0.278	4	122.8140	1.721	8	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[3]-4:C-3:	C(OC[3])(CCCH)(O)	O(CCO)	O(C[3]C[3,5]C[3]H)(CCO)	C(OC[3])(CCCH)(O)	O(CCO)	O(C[3]C[3,5]C[3]H)(CCO)	122.9050	0.037	2	122.9050	0.001	2	123.0526	0.064	5	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[3]-4:C-3:	C(OC[3])(CH3)(O)	O(CCO)	O(C[3]C[3]2C)(CCO)	C(OC[3])(CH3)(O)	O(CCO)	O(C[3]C[3]2C)(CCO)	122.9795	0.070	2	122.9795	0.005	2	123.0526	0.064	5	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[3]-4:C-3:	C(OC[3])(CH3)(O)	O(CCO)	O(C[3]C[3]2N)(CCO)	C(OC[3])(CH3)(O)	O(CCO)	O(C[3]C[3]2N)(CCO)	123.4940	0.000	1	123.4940	0.000	1	123.0526	0.064	5	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[3x6]-4:C-3:	C(OC[3x6])(CH3)(O)	O(CCO)	O(C[3x6]C[4x6]C[6,6]2)(CCO)	C(OC[3x6])(CH3)(O)	O(CCO)	O(C[3x6]C[4x6]C[6,6]2)(CCO)	125.6420	0.000	1	125.6420	0.000	1	124.7410	1.835	7	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[3x6]-4:C-3:	C(OC[3x6])(CH3)(O)	O(CCO)	O(C[3x6]C[6,6]3)(CCO)	C(OC[3x6])(CH3)(O)	O(CCO)	O(C[3x6]C[6,6]3)(CCO)	125.0750	0.883	3	125.0750	0.779	3	124.7410	1.835	7	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[3x6]-4:C-3:	C(OC[3x6])(CH3)(O)	O(CCO)	O(C[3x6]C[6,6a]C[3x6]C[4x6])(CCO)	C(OC[3x6])(CH3)(O)	O(CCO)	O(C[3x6]C[6,6a]C[3x6]C[4x6])(CCO)	123.0190	0.017	2	123.0190	0.000	2	124.7410	1.835	7	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[3x6]-4:C-3:	C(OC[3x6])(CHII)(O)	O(CCO)	O(C[3x6]C[6,6]3)(CCO)	C(OC[3x6])(CHII)(O)	O(CCO)	O(C[3x6]C[6,6]3)(CCO)	126.2820	0.000	1	126.2820	0.000	1	124.7410	1.835	7	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[4,5]-4:C-3:	C(OC[4,5])(CH3)(O)	O(CCO)	O(C[4,5]C[5,6a]C[4,5]2)(CCO)	C(OC[4,5])(CH3)(O)	O(CCO)	O(C[4,5]C[5,6a]C[4,5]2)(CCO)	121.7037	0.635	3	121.7037	0.403	3	121.7037	0.403	3	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[4,6]-4:C-3:	C(OC[4,6])(CH3)(O)	O(CCO)	O(C[4,6]C[4,6]C[4]C[6])(CCO)	C(OC[4,6])(CH3)(O)	O(CCO)	O(C[4,6]C[4,6]C[4]C[6])(CCO)	123.6783	0.660	11	123.6783	0.436	11	123.5458	0.468	13	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[4,6]-4:C-3:	C(OC[4,6])(CH3)(O)	O(CCO)	O(C[4,6]C[4,6a]C[4,6]C[6])(CCO)	C(OC[4,6])(CH3)(O)	O(CCO)	O(C[4,6]C[4,6a]C[4,6]C[6])(CCO)	122.8175	0.077	2	122.8175	0.006	2	123.5458	0.468	13	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[4]-4:C-3:	C(OC[4])(CCHH)(O)	O(CCO)	O(C[4]C[4]2C)(CCO)	C(OC[4])(CCHH)(O)	O(CCO)	O(C[4]C[4]2C)(CCO)	121.5450	0.000	1	121.5450	0.000	1	123.2102	0.997	22	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[4]-4:C-3:	C(OC[4])(CH3)(O)	O(CCO)	O(C[4]C[4,5]C[4]C)(CCO)	C(OC[4])(CH3)(O)	O(CCO)	O(C[4]C[4,5]C[4]C)(CCO)	124.3180	0.979	2	124.3180	0.958	2	123.2102	0.997	22	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[4]-4:C-3:	C(OC[4])(CH3)(O)	O(CCO)	O(C[4]C[4,5]C[4]H)(CCO)	C(OC[4])(CH3)(O)	O(CCO)	O(C[4]C[4,5]C[4]H)(CCO)	121.2600	0.000	1	121.2600	0.000	1	123.2102	0.997	22	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[4]-4:C-3:	C(OC[4])(CH3)(O)	O(CCO)	O(C[4]C[4,6]C[4]C)(CCO)	C(OC[4])(CH3)(O)	O(CCO)	O(C[4]C[4,6]C[4]C)(CCO)	124.0875	0.509	4	124.0875	0.259	4	123.2102	0.997	22	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[4]-4:C-3:	C(OC[4])(CH3)(O)	O(CCO)	O(C[4]C[4,6]C[4]H)(CCO)	C(OC[4])(CH3)(O)	O(CCO)	O(C[4]C[4,6]C[4]H)(CCO)	123.0693	0.466	3	123.0693	0.217	3	123.2102	0.997	22	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[4]-4:C-3:	C(OC[4])(CH3)(O)	O(CCO)	O(C[4]C[4]2C)(CCO)	C(OC[4])(CH3)(O)	O(CCO)	O(C[4]C[4]2C)(CCO)	124.6750	0.000	1	124.6750	0.000	1	123.2102	0.997	22	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[4]-4:C-3:	C(OC[4])(CH3)(O)	O(CCO)	O(C[4]C[4]2H)(CCO)	C(OC[4])(CH3)(O)	O(CCO)	O(C[4]C[4]2H)(CCO)	122.7886	0.503	8	122.7886	0.253	8	123.2102	0.997	22	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[4]-4:C-3:	C(OC[4])(CH3)(O)	O(CCO)	O(C[4]C[4]N[4]H)(CCO)	C(OC[4])(CH3)(O)	O(CCO)	O(C[4]C[4]N[4]H)(CCO)	122.5360	0.000	1	122.5360	0.000	1	123.2102	0.997	22	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[4]-4:C-3:	C(OC[4])(CH3)(O)	O(CCO)	O(C[4]C[6a]C[4]2)(CCO)	C(OC[4])(CH3)(O)	O(CCO)	O(C[4]C[6a]C[4]2)(CCO)	124.1060	0.000	1	124.1060	0.000	1	123.2102	0.997	22	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[4x6]-4:C-3:	C(OC[4x6])(CH3)(O)	O(CCO)	O(C[4x6]C[6,6,6a]C[3x6]C[4x6])(CCO)	C(OC[4x6])(CH3)(O)	O(CCO)	O(C[4x6]C[6,6,6a]C[3x6]C[4x6])(CCO)	124.4830	0.195	2	124.4830	0.038	2	124.4830	0.038	2	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[5,5,6,6]-4:C-3:	C(OC[5,5,6,6])(CCCH)(O)	O(CCO)	O(C[5,5,6,6]C[5,6,6]2C[5,5])(CCO)	C(OC[5,5,6,6])(CCCH)(O)	O(CCO)	O(C[5,5,6,6]C[5,6,6]2C[5,5])(CCO)	123.9140	0.553	2	123.9140	0.306	2	124.0470	0.206	3	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[5,5,6,6]-4:C-3:	C(OC[5,5,6,6])(CH3)(O)	O(CCO)	O(C[5,5,6,6]C[5,6,6]2C[5,5])(CCO)	C(OC[5,5,6,6])(CH3)(O)	O(CCO)	O(C[5,5,6,6]C[5,6,6]2C[5,5])(CCO)	124.3130	0.000	1	124.3130	0.000	1	124.0470	0.206	3	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[5,5,6]-4:C-3:	C(OC[5,5,6])(CC[6a]CH)(O)	O(CCO)	O(C[5,5,6]C[3x5,6]C[5,6]C[5])(CCO)	C(OC[5,5,6])(CC[6a]CH)(O)	O(CCO)	O(C[5,5,6]C[3x5,6]C[5,6]C[5])(CCO)	123.9225	1.331	2	123.9225	1.773	2	123.5973	1.204	3	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[5,5,6]-4:C-3:	C(OC[5,5,6])(CH3)(O)	O(CCO)	O(C[5,5,6]C[5,5]C[5,6]2)(CCO)	C(OC[5,5,6])(CH3)(O)	O(CCO)	O(C[5,5,6]C[5,5]C[5,6]2)(CCO)	122.9470	0.000	1	122.9470	0.000	1	123.5973	1.204	3	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[5,5]-4:C-3:	C(OC[5,5])(CH3)(O)	O(CCO)	O(C[5,5]C[5,5,6,6]C[5,5,6]H)(CCO)	C(OC[5,5])(CH3)(O)	O(CCO)	O(C[5,5]C[5,5,6,6]C[5,5,6]H)(CCO)	122.9765	0.183	2	122.9765	0.034	2	123.5192	0.311	13	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[5,5]-4:C-3:	C(OC[5,5])(CH3)(O)	O(CCO)	O(C[5,5]C[5,5,6]2H)(CCO)	C(OC[5,5])(CH3)(O)	O(CCO)	O(C[5,5]C[5,5,6]2H)(CCO)	123.4663	0.489	8	123.4663	0.239	8	123.5192	0.311	13	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[5,5]-4:C-3:	C(OC[5,5])(CH3)(O)	O(CCO)	O(C[5,5]C[5,5]C[5,6]C[5])(CCO)	C(OC[5,5])(CH3)(O)	O(CCO)	O(C[5,5]C[5,5]C[5,6]C[5])(CCO)	124.0223	0.570	3	124.0223	0.325	3	123.5192	0.311	13	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[5,6,6]-4:C-3:	C(OC[5,6,6])(CH3)(O)	O(CCO)	O(C[5,6,6]C[5,5,6,6]C[6,6]O[5,6])(CCO)	C(OC[5,6,6])(CH3)(O)	O(CCO)	O(C[5,6,6]C[5,5,6,6]C[6,6]O[5,6])(CCO)	123.3880	0.000	1	123.3880	0.000	1	123.2285	0.051	2	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[5,6,6]-4:C-3:	C(OC[5,6,6])(CH3)(O)	O(CCO)	O(C[5,6,6]C[5,5,6,6]O[5,6]C[6])(CCO)	C(OC[5,6,6])(CH3)(O)	O(CCO)	O(C[5,6,6]C[5,5,6,6]O[5,6]C[6])(CCO)	123.0690	0.000	1	123.0690	0.000	1	123.2285	0.051	2	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[5,6]-4:C-3:	C(OC[5,6])(CCCH)(O)	O(CCO)	O(C[5,6]C[5,5,6]C[5,6,6]H)(CCO)	C(OC[5,6])(CCCH)(O)	O(CCO)	O(C[5,6]C[5,5,6]C[5,6,6]H)(CCO)	123.4585	0.349	2	123.4585	0.122	2	123.5879	0.781	46	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[5,6]-4:C-3:	C(OC[5,6])(CCHH)(O)	O(CCO)	O(C[5,6]C[5,6]2H)(CCO)	C(OC[5,6])(CCHH)(O)	O(CCO)	O(C[5,6]C[5,6]2H)(CCO)	124.9210	0.000	1	124.9210	0.000	1	123.5879	0.781	46	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[5,6]-4:C-3:	C(OC[5,6])(CH3)(O)	O(CCO)	O(C[5,6]C[5,5,6,6]C[5,6]H)(CCO)	C(OC[5,6])(CH3)(O)	O(CCO)	O(C[5,6]C[5,5,6,6]C[5,6]H)(CCO)	124.0610	0.000	1	124.0610	0.000	1	123.5879	0.781	46	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[5,6]-4:C-3:	C(OC[5,6])(CH3)(O)	O(CCO)	O(C[5,6]C[5,5,6]C[5,6,6]H)(CCO)	C(OC[5,6])(CH3)(O)	O(CCO)	O(C[5,6]C[5,5,6]C[5,6,6]H)(CCO)	122.0640	0.000	1	122.0640	0.000	1	123.5879	0.781	46	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[5,6]-4:C-3:	C(OC[5,6])(CH3)(O)	O(CCO)	O(C[5,6]C[5,5,6]C[5,6]H)(CCO)	C(OC[5,6])(CH3)(O)	O(CCO)	O(C[5,6]C[5,5,6]C[5,6]H)(CCO)	123.3030	0.408	5	123.3030	0.167	5	123.5879	0.781	46	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[5,6]-4:C-3:	C(OC[5,6])(CH3)(O)	O(CCO)	O(C[5,6]C[5,6,6]C[5,6]H)(CCO)	C(OC[5,6])(CH3)(O)	O(CCO)	O(C[5,6]C[5,6,6]C[5,6]H)(CCO)	123.3671	0.669	17	123.3671	0.447	17	123.5879	0.781	46	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[5,6]-4:C-3:	C(OC[5,6])(CH3)(O)	O(CCO)	O(C[5,6]C[5,6,6]C[5]C[6])(CCO)	C(OC[5,6])(CH3)(O)	O(CCO)	O(C[5,6]C[5,6,6]C[5]C[6])(CCO)	121.6440	0.000	1	121.6440	0.000	1	123.5879	0.781	46	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[5,6]-4:C-3:	C(OC[5,6])(CH3)(O)	O(CCO)	O(C[5,6]C[5,6,6]C[6]O[5])(CCO)	C(OC[5,6])(CH3)(O)	O(CCO)	O(C[5,6]C[5,6,6]C[6]O[5])(CCO)	123.6090	0.000	1	123.6090	0.000	1	123.5879	0.781	46	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[5,6]-4:C-3:	C(OC[5,6])(CH3)(O)	O(CCO)	O(C[5,6]C[5,6]2C)(CCO)	C(OC[5,6])(CH3)(O)	O(CCO)	O(C[5,6]C[5,6]2C)(CCO)	124.3150	0.000	1	124.3150	0.000	1	123.5879	0.781	46	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[5,6]-4:C-3:	C(OC[5,6])(CH3)(O)	O(CCO)	O(C[5,6]C[5,6]2C[6])(CCO)	C(OC[5,6])(CH3)(O)	O(CCO)	O(C[5,6]C[5,6]2C[6])(CCO)	125.1240	0.000	1	125.1240	0.000	1	123.5879	0.781	46	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[5,6]-4:C-3:	C(OC[5,6])(CH3)(O)	O(CCO)	O(C[5,6]C[5,6]2H)(CCO)	C(OC[5,6])(CH3)(O)	O(CCO)	O(C[5,6]C[5,6]2H)(CCO)	124.2682	0.437	6	124.2682	0.191	6	123.5879	0.781	46	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[5,6]-4:C-3:	C(OC[5,6])(CH3)(O)	O(CCO)	O(C[5,6]C[5,6]C[5]C[6])(CCO)	C(OC[5,6])(CH3)(O)	O(CCO)	O(C[5,6]C[5,6]C[5]C[6])(CCO)	124.0730	0.962	6	124.0730	0.924	6	123.5879	0.781	46	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[5,6]-4:C-3:	C(OC[5,6])(CH3)(O)	O(CCO)	O(C[5,6]N[5,6]C[5]C[6])(CCO)	C(OC[5,6])(CH3)(O)	O(CCO)	O(C[5,6]N[5,6]C[5]C[6])(CCO)	122.2170	0.000	1	122.2170	0.000	1	123.5879	0.781	46	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[5,6]-4:C-3:	C(OC[5,6])(CHHN)(O)	O(CCO)	O(C[5,6]C[5,5,6,6]C[4,5,6]C)(CCO)	C(OC[5,6])(CHHN)(O)	O(CCO)	O(C[5,6]C[5,5,6,6]C[4,5,6]C)(CCO)	124.4010	0.000	1	124.4010	0.000	1	123.5879	0.781	46	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[5,6]-4:C-3:	C(OC[5,6])(CMoHH)(O)	O(CCO)	O(C[5,6]C[5,5,6]C[5,6]H)(CCO)	C(OC[5,6])(CMoHH)(O)	O(CCO)	O(C[5,6]C[5,5,6]C[5,6]H)(CCO)	121.9680	0.000	1	121.9680	0.000	1	123.5879	0.781	46	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[5]-4:C-3:	C(OC[5])(CC3)(O)	O(CCO)	O(C[5]C[3,5]C[5]H)(CCO)	C(OC[5])(CC3)(O)	O(CCO)	O(C[5]C[3,5]C[5]H)(CCO)	121.3290	0.000	1	121.3290	0.000	1	123.2002	0.994	332	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[5]-4:C-3:	C(OC[5])(CC3)(O)	O(CCO)	O(C[5]C[5,6,6]C[5]H)(CCO)	C(OC[5])(CC3)(O)	O(CCO)	O(C[5]C[5,6,6]C[5]H)(CCO)	122.6015	0.384	2	122.6015	0.147	2	123.2002	0.994	332	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[5]-4:C-3:	C(OC[5])(CC3)(O)	O(CCO)	O(C[5]C[5,6]C[5]H)(CCO)	C(OC[5])(CC3)(O)	O(CCO)	O(C[5]C[5,6]C[5]H)(CCO)	122.4210	0.000	1	122.4210	0.000	1	123.2002	0.994	332	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[5]-4:C-3:	C(OC[5])(CC3)(O)	O(CCO)	O(C[5]C[5,6a]C[5,5]H)(CCO)	C(OC[5])(CC3)(O)	O(CCO)	O(C[5]C[5,6a]C[5,5]H)(CCO)	122.1920	0.618	2	122.1920	0.382	2	123.2002	0.994	332	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[5]-4:C-3:	C(OC[5])(CC3)(O)	O(CCO)	O(C[5]C[5,6a]O[5]H)(CCO)	C(OC[5])(CC3)(O)	O(CCO)	O(C[5]C[5,6a]O[5]H)(CCO)	122.6463	0.320	3	122.6463	0.103	3	123.2002	0.994	332	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[5]-4:C-3:	C(OC[5])(CCCH)(O)	O(CCO)	O(C[5]C[3,5]C[5,6]H)(CCO)	C(OC[5])(CCCH)(O)	O(CCO)	O(C[5]C[3,5]C[5,6]H)(CCO)	116.7340	0.000	1	116.7340	0.000	1	123.2002	0.994	332	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[5]-4:C-3:	C(OC[5])(CCCH)(O)	O(CCO)	O(C[5]C[5,6]C[5]H)(CCO)	C(OC[5])(CCCH)(O)	O(CCO)	O(C[5]C[5,6]C[5]H)(CCO)	123.7560	0.000	1	123.7560	0.000	1	123.2002	0.994	332	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[5]-4:C-3:	C(OC[5])(CCCH)(O)	O(CCO)	O(C[5]C[5]2C)(CCO)	C(OC[5])(CCCH)(O)	O(CCO)	O(C[5]C[5]2C)(CCO)	124.4140	0.000	1	124.4140	0.000	1	123.2002	0.994	332	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[5]-4:C-3:	C(OC[5])(CCCH)(O)	O(CCO)	O(C[5]C[5]2H)(CCO)	C(OC[5])(CCCH)(O)	O(CCO)	O(C[5]C[5]2H)(CCO)	123.4050	0.000	1	123.4050	0.000	1	123.2002	0.994	332	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[5]-4:C-3:	C(OC[5])(CCCO)(O)	O(CCO)	O(C[5]C[5]2H)(CCO)	C(OC[5])(CCCO)(O)	O(CCO)	O(C[5]C[5]2H)(CCO)	124.9790	0.594	2	124.9790	0.353	2	123.2002	0.994	332	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[5]-4:C-3:	C(OC[5])(CCHH)(O)	O(CCO)	O(C[5]C[5,6]C[5]C)(CCO)	C(OC[5])(CCHH)(O)	O(CCO)	O(C[5]C[5,6]C[5]C)(CCO)	122.7329	0.494	9	122.7329	0.244	9	123.2002	0.994	332	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[5]-4:C-3:	C(OC[5])(CCHH)(O)	O(CCO)	O(C[5]C[5,6]C[5]H)(CCO)	C(OC[5])(CCHH)(O)	O(CCO)	O(C[5]C[5,6]C[5]H)(CCO)	123.4715	0.397	2	123.4715	0.157	2	123.2002	0.994	332	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[5]-4:C-3:	C(OC[5])(CCHH)(O)	O(CCO)	O(C[5]C[5]2H)(CCO)	C(OC[5])(CCHH)(O)	O(CCO)	O(C[5]C[5]2H)(CCO)	122.9938	0.710	17	122.9938	0.504	17	123.2002	0.994	332	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[5]-4:C-3:	C(OC[5])(CCHN)(O)	O(CCO)	O(C[5]C[5,6a]C[5]H)(CCO)	C(OC[5])(CCHN)(O)	O(CCO)	O(C[5]C[5,6a]C[5]H)(CCO)	124.3363	0.278	7	124.3363	0.077	7	123.2002	0.994	332	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[5]-4:C-3:	C(OC[5])(CCHN)(O)	O(CCO)	O(C[5]C[5]2H)(CCO)	C(OC[5])(CCHN)(O)	O(CCO)	O(C[5]C[5]2H)(CCO)	127.0935	0.114	2	127.0935	0.013	2	123.2002	0.994	332	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[5]-4:C-3:	C(OC[5])(CH3)(O)	O(CCO)	O(C[5]C[3,5]C[5,6]H)(CCO)	C(OC[5])(CH3)(O)	O(CCO)	O(C[5]C[3,5]C[5,6]H)(CCO)	123.8380	0.000	1	123.8380	0.000	1	123.2002	0.994	332	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[5]-4:C-3:	C(OC[5])(CH3)(O)	O(CCO)	O(C[5]C[3,5]C[5]H)(CCO)	C(OC[5])(CH3)(O)	O(CCO)	O(C[5]C[3,5]C[5]H)(CCO)	122.7623	0.671	6	122.7623	0.450	6	123.2002	0.994	332	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[5]-4:C-3:	C(OC[5])(CH3)(O)	O(CCO)	O(C[5]C[4,5]C[5]H)(CCO)	C(OC[5])(CH3)(O)	O(CCO)	O(C[5]C[4,5]C[5]H)(CCO)	123.3780	0.000	1	123.3780	0.000	1	123.2002	0.994	332	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[5]-4:C-3:	C(OC[5])(CH3)(O)	O(CCO)	O(C[5]C[5,3x6]C[5,5]H)(CCO)	C(OC[5])(CH3)(O)	O(CCO)	O(C[5]C[5,3x6]C[5,5]H)(CCO)	123.8970	0.170	2	123.8970	0.029	2	123.2002	0.994	332	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[5]-4:C-3:	C(OC[5])(CH3)(O)	O(CCO)	O(C[5]C[5,3x6]C[5]H)(CCO)	C(OC[5])(CH3)(O)	O(CCO)	O(C[5]C[5,3x6]C[5]H)(CCO)	123.0490	0.287	2	123.0490	0.082	2	123.2002	0.994	332	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[5]-4:C-3:	C(OC[5])(CH3)(O)	O(CCO)	O(C[5]C[5,5,6]C[5,6,6]H)(CCO)	C(OC[5])(CH3)(O)	O(CCO)	O(C[5]C[5,5,6]C[5,6,6]H)(CCO)	123.0545	1.437	4	123.0545	2.066	4	123.2002	0.994	332	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[5]-4:C-3:	C(OC[5])(CH3)(O)	O(CCO)	O(C[5]C[5,5,6]C[5]H)(CCO)	C(OC[5])(CH3)(O)	O(CCO)	O(C[5]C[5,5,6]C[5]H)(CCO)	123.3030	0.000	1	123.3030	0.000	1	123.2002	0.994	332	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[5]-4:C-3:	C(OC[5])(CH3)(O)	O(CCO)	O(C[5]C[5,5,6]O[5]H)(CCO)	C(OC[5])(CH3)(O)	O(CCO)	O(C[5]C[5,5,6]O[5]H)(CCO)	122.9220	0.000	1	122.9220	0.000	1	123.2002	0.994	332	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[5]-4:C-3:	C(OC[5])(CH3)(O)	O(CCO)	O(C[5]C[5,5]2H)(CCO)	C(OC[5])(CH3)(O)	O(CCO)	O(C[5]C[5,5]2H)(CCO)	121.4970	0.000	1	121.4970	0.000	1	123.2002	0.994	332	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[5]-4:C-3:	C(OC[5])(CH3)(O)	O(CCO)	O(C[5]C[5,5]C[5,6]H)(CCO)	C(OC[5])(CH3)(O)	O(CCO)	O(C[5]C[5,5]C[5,6]H)(CCO)	123.1650	0.000	1	123.1650	0.000	1	123.2002	0.994	332	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[5]-4:C-3:	C(OC[5])(CH3)(O)	O(CCO)	O(C[5]C[5,5]C[5]C)(CCO)	C(OC[5])(CH3)(O)	O(CCO)	O(C[5]C[5,5]C[5]C)(CCO)	124.1390	0.000	1	124.1390	0.000	1	123.2002	0.994	332	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[5]-4:C-3:	C(OC[5])(CH3)(O)	O(CCO)	O(C[5]C[5,5]C[5]H)(CCO)	C(OC[5])(CH3)(O)	O(CCO)	O(C[5]C[5,5]C[5]H)(CCO)	123.0751	0.521	11	123.0751	0.272	11	123.2002	0.994	332	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[5]-4:C-3:	C(OC[5])(CH3)(O)	O(CCO)	O(C[5]C[5,5]N[5]H)(CCO)	C(OC[5])(CH3)(O)	O(CCO)	O(C[5]C[5,5]N[5]H)(CCO)	123.4490	0.000	1	123.4490	0.000	1	123.2002	0.994	332	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[5]-4:C-3:	C(OC[5])(CH3)(O)	O(CCO)	O(C[5]C[5,6,6]C[5]H)(CCO)	C(OC[5])(CH3)(O)	O(CCO)	O(C[5]C[5,6,6]C[5]H)(CCO)	123.5638	0.713	9	123.5638	0.508	9	123.2002	0.994	332	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[5]-4:C-3:	C(OC[5])(CH3)(O)	O(CCO)	O(C[5]C[5,6,6]O[5]H)(CCO)	C(OC[5])(CH3)(O)	O(CCO)	O(C[5]C[5,6,6]O[5]H)(CCO)	123.2710	0.000	1	123.2710	0.000	1	123.2002	0.994	332	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[5]-4:C-3:	C(OC[5])(CH3)(O)	O(CCO)	O(C[5]C[5,6]C[5]C)(CCO)	C(OC[5])(CH3)(O)	O(CCO)	O(C[5]C[5,6]C[5]C)(CCO)	123.7830	1.279	11	123.7830	1.636	11	123.2002	0.994	332	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[5]-4:C-3:	C(OC[5])(CH3)(O)	O(CCO)	O(C[5]C[5,6]C[5]H)(CCO)	C(OC[5])(CH3)(O)	O(CCO)	O(C[5]C[5,6]C[5]H)(CCO)	123.2869	0.852	36	123.2869	0.726	36	123.2002	0.994	332	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[5]-4:C-3:	C(OC[5])(CH3)(O)	O(CCO)	O(C[5]C[5,6]O[5]H)(CCO)	C(OC[5])(CH3)(O)	O(CCO)	O(C[5]C[5,6]O[5]H)(CCO)	122.8338	0.463	4	122.8338	0.214	4	123.2002	0.994	332	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[5]-4:C-3:	C(OC[5])(CH3)(O)	O(CCO)	O(C[5]C[5,6a]C[5,5]H)(CCO)	C(OC[5])(CH3)(O)	O(CCO)	O(C[5]C[5,6a]C[5,5]H)(CCO)	123.1290	0.421	2	123.1290	0.178	2	123.2002	0.994	332	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[5]-4:C-3:	C(OC[5])(CH3)(O)	O(CCO)	O(C[5]C[5,6a]C[5]H)(CCO)	C(OC[5])(CH3)(O)	O(CCO)	O(C[5]C[5,6a]C[5]H)(CCO)	123.0778	0.758	6	123.0778	0.575	6	123.2002	0.994	332	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[5]-4:C-3:	C(OC[5])(CH3)(O)	O(CCO)	O(C[5]C[5,6a]N[5]H)(CCO)	C(OC[5])(CH3)(O)	O(CCO)	O(C[5]C[5,6a]N[5]H)(CCO)	123.3480	0.625	2	123.3480	0.391	2	123.2002	0.994	332	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[5]-4:C-3:	C(OC[5])(CH3)(O)	O(CCO)	O(C[5]C[5]2C)(CCO)	C(OC[5])(CH3)(O)	O(CCO)	O(C[5]C[5]2C)(CCO)	123.7962	1.129	33	123.7962	1.275	33	123.2002	0.994	332	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[5]-4:C-3:	C(OC[5])(CH3)(O)	O(CCO)	O(C[5]C[5]2Fe)(CCO)	C(OC[5])(CH3)(O)	O(CCO)	O(C[5]C[5]2Fe)(CCO)	122.7742	1.032	4	122.7742	1.064	4	123.2002	0.994	332	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[5]-4:C-3:	C(OC[5])(CH3)(O)	O(CCO)	O(C[5]C[5]2H)(CCO)	C(OC[5])(CH3)(O)	O(CCO)	O(C[5]C[5]2H)(CCO)	123.0175	0.732	109	123.0175	0.536	109	123.2002	0.994	332	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[5]-4:C-3:	C(OC[5])(CH3)(O)	O(CCO)	O(C[5]C[5]N[5]H)(CCO)	C(OC[5])(CH3)(O)	O(CCO)	O(C[5]C[5]N[5]H)(CCO)	122.6035	0.843	8	122.6035	0.711	8	123.2002	0.994	332	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[5]-4:C-3:	C(OC[5])(CH3)(O)	O(CCO)	O(C[5]C[5]O[5]C)(CCO)	C(OC[5])(CH3)(O)	O(CCO)	O(C[5]C[5]O[5]C)(CCO)	123.8455	0.108	2	123.8455	0.012	2	123.2002	0.994	332	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[5]-4:C-3:	C(OC[5])(CH3)(O)	O(CCO)	O(C[5]C[5]O[5]H)(CCO)	C(OC[5])(CH3)(O)	O(CCO)	O(C[5]C[5]O[5]H)(CCO)	122.9321	0.607	13	122.9321	0.369	13	123.2002	0.994	332	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[5]-4:C-3:	C(OC[5])(CH3)(O)	O(CCO)	O(C[5]C[5]O[5]P)(CCO)	C(OC[5])(CH3)(O)	O(CCO)	O(C[5]C[5]O[5]P)(CCO)	123.1750	0.000	1	123.1750	0.000	1	123.2002	0.994	332	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[5]-4:C-3:	C(OC[5])(CH3)(O)	O(CCO)	O(C[5]C[5]S[5]H)(CCO)	C(OC[5])(CH3)(O)	O(CCO)	O(C[5]C[5]S[5]H)(CCO)	122.3153	0.360	3	122.3153	0.129	3	123.2002	0.994	332	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[5]-4:C-3:	C(OC[5])(CH3)(O)	O(CCO)	O(C[5]C[6a]C[5]2)(CCO)	C(OC[5])(CH3)(O)	O(CCO)	O(C[5]C[6a]C[5]2)(CCO)	123.4350	0.000	1	123.4350	0.000	1	123.2002	0.994	332	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[5]-4:C-3:	C(OC[5])(CH3)(O)	O(CCO)	O(C[5]C[6a]C[5]O[5])(CCO)	C(OC[5])(CH3)(O)	O(CCO)	O(C[5]C[6a]C[5]O[5])(CCO)	125.9550	0.000	1	125.9550	0.000	1	123.2002	0.994	332	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[5]-4:C-3:	C(OC[5])(CHHO)(O)	O(CCO)	O(C[5]C[5]2H)(CCO)	C(OC[5])(CHHO)(O)	O(CCO)	O(C[5]C[5]2H)(CCO)	124.2630	0.000	1	124.2630	0.000	1	123.2002	0.994	332	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[6,6]-4:C-3:	C(OC[6,6])(CC3)(O)	O(CCO)	O(C[6,6]C[3x6]2H)(CCO)	C(OC[6,6])(CC3)(O)	O(CCO)	O(C[6,6]C[3x6]2H)(CCO)	125.3845	0.411	2	125.3845	0.169	2	123.7774	2.787	39	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[6,6]-4:C-3:	C(OC[6,6])(CCCH)(O)	O(CCO)	O(C[6,6]C[6,6]C[6x6]H)(CCO)	C(OC[6,6])(CCCH)(O)	O(CCO)	O(C[6,6]C[6,6]C[6x6]H)(CCO)	123.7440	0.320	2	123.7440	0.102	2	123.7774	2.787	39	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[6,6]-4:C-3:	C(OC[6,6])(CF3)(O)	O(CCO)	O(C[6,6]C[3x6]C[6,6]C)(CCO)	C(OC[6,6])(CF3)(O)	O(CCO)	O(C[6,6]C[3x6]C[6,6]C)(CCO)	129.5050	0.631	2	129.5050	0.398	2	123.7774	2.787	39	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[6,6]-4:C-3:	C(OC[6,6])(CH3)(O)	O(CCO)	O(C[6,6]C[3,6,6]C[3,6]C[6])(CCO)	C(OC[6,6])(CH3)(O)	O(CCO)	O(C[6,6]C[3,6,6]C[3,6]C[6])(CCO)	123.8120	0.000	1	123.8120	0.000	1	123.7774	2.787	39	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[6,6]-4:C-3:	C(OC[6,6])(CH3)(O)	O(CCO)	O(C[6,6]C[3x6]2H)(CCO)	C(OC[6,6])(CH3)(O)	O(CCO)	O(C[6,6]C[3x6]2H)(CCO)	122.9781	0.702	11	122.9781	0.492	11	123.7774	2.787	39	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[6,6]-4:C-3:	C(OC[6,6])(CH3)(O)	O(CCO)	O(C[6,6]C[3x6]C[6,6]C)(CCO)	C(OC[6,6])(CH3)(O)	O(CCO)	O(C[6,6]C[3x6]C[6,6]C)(CCO)	123.2220	1.589	5	123.2220	2.524	5	123.7774	2.787	39	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[6,6]-4:C-3:	C(OC[6,6])(CH3)(O)	O(CCO)	O(C[6,6]C[3x6]C[6,6]H)(CCO)	C(OC[6,6])(CH3)(O)	O(CCO)	O(C[6,6]C[3x6]C[6,6]H)(CCO)	123.0380	0.498	7	123.0380	0.248	7	123.7774	2.787	39	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[6,6]-4:C-3:	C(OC[6,6])(CH3)(O)	O(CCO)	O(C[6,6]C[5,3x6]C[3x6]H)(CCO)	C(OC[6,6])(CH3)(O)	O(CCO)	O(C[6,6]C[5,3x6]C[3x6]H)(CCO)	123.3057	0.407	3	123.3057	0.166	3	123.7774	2.787	39	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[6,6]-4:C-3:	C(OC[6,6])(CH3)(O)	O(CCO)	O(C[6,6]C[5,6,6]C[5,6]C[6])(CCO)	C(OC[6,6])(CH3)(O)	O(CCO)	O(C[6,6]C[5,6,6]C[5,6]C[6])(CCO)	124.9290	0.210	3	124.9290	0.044	3	123.7774	2.787	39	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[6,6]-4:C-3:	C(OC[6,6])(CH3)(O)	O(CCO)	O(C[6,6]C[5,6,6]C[6,6]H)(CCO)	C(OC[6,6])(CH3)(O)	O(CCO)	O(C[6,6]C[5,6,6]C[6,6]H)(CCO)	123.9945	0.506	2	123.9945	0.256	2	123.7774	2.787	39	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[6,6]-4:C-3:	C(OC[6,6])(CH3)(O)	O(CCO)	O(C[6,6]C[6,6]C[6]2)(CCO)	C(OC[6,6])(CH3)(O)	O(CCO)	O(C[6,6]C[6,6]C[6]2)(CCO)	123.4110	0.000	1	123.4110	0.000	1	123.7774	2.787	39	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[6]-4:C-3:	C(OC[6])(CBCH)(O)	O(CCO)	O(C[6]C[6]2H)(CCO)	C(OC[6])(CBCH)(O)	O(CCO)	O(C[6]C[6]2H)(CCO)	122.3000	0.034	2	122.3000	0.001	2	123.3192	0.996	1332	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[6]-4:C-3:	C(OC[6])(CC3)(O)	O(CCO)	O(C[6]C[5,6]O[6]H)(CCO)	C(OC[6])(CC3)(O)	O(CCO)	O(C[6]C[5,6]O[6]H)(CCO)	122.6830	0.000	1	122.6830	0.000	1	123.3192	0.996	1332	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[6]-4:C-3:	C(OC[6])(CC3)(O)	O(CCO)	O(C[6]C[6,6]C[6]H)(CCO)	C(OC[6])(CC3)(O)	O(CCO)	O(C[6]C[6,6]C[6]H)(CCO)	122.7155	1.193	6	122.7155	1.424	6	123.3192	0.996	1332	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[6]-4:C-3:	C(OC[6])(CC3)(O)	O(CCO)	O(C[6]C[6,6a]C[6]H)(CCO)	C(OC[6])(CC3)(O)	O(CCO)	O(C[6]C[6,6a]C[6]H)(CCO)	122.7565	1.030	2	122.7565	1.061	2	123.3192	0.996	1332	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[6]-4:C-3:	C(OC[6])(CC3)(O)	O(CCO)	O(C[6]C[6]2Fe)(CCO)	C(OC[6])(CC3)(O)	O(CCO)	O(C[6]C[6]2Fe)(CCO)	123.3267	0.422	3	123.3267	0.178	3	123.3192	0.996	1332	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[6]-4:C-3:	C(OC[6])(CC3)(O)	O(CCO)	O(C[6]C[6]2H)(CCO)	C(OC[6])(CC3)(O)	O(CCO)	O(C[6]C[6]2H)(CCO)	123.0374	0.687	22	123.0374	0.472	22	123.3192	0.996	1332	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[6]-4:C-3:	C(OC[6])(CCCH)(O)	O(CCO)	O(C[6]C[3,6]C[6]H)(CCO)	C(OC[6])(CCCH)(O)	O(CCO)	O(C[6]C[3,6]C[6]H)(CCO)	124.0390	0.000	1	124.0390	0.000	1	123.3192	0.996	1332	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[6]-4:C-3:	C(OC[6])(CCCH)(O)	O(CCO)	O(C[6]C[5,6]C[6,6]H)(CCO)	C(OC[6])(CCCH)(O)	O(CCO)	O(C[6]C[5,6]C[6,6]H)(CCO)	122.2390	0.000	1	122.2390	0.000	1	123.3192	0.996	1332	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[6]-4:C-3:	C(OC[6])(CCCH)(O)	O(CCO)	O(C[6]C[6,6]C[6]H)(CCO)	C(OC[6])(CCCH)(O)	O(CCO)	O(C[6]C[6,6]C[6]H)(CCO)	120.4350	3.680	3	120.4350	13.543	3	123.3192	0.996	1332	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[6]-4:C-3:	C(OC[6])(CCCH)(O)	O(CCO)	O(C[6]C[6,6a]C[3,6]H)(CCO)	C(OC[6])(CCCH)(O)	O(CCO)	O(C[6]C[6,6a]C[3,6]H)(CCO)	123.1100	0.143	2	123.1100	0.020	2	123.3192	0.996	1332	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[6]-4:C-3:	C(OC[6])(CCCH)(O)	O(CCO)	O(C[6]C[6]2C)(CCO)	C(OC[6])(CCCH)(O)	O(CCO)	O(C[6]C[6]2C)(CCO)	122.1760	0.365	3	122.1760	0.133	3	123.3192	0.996	1332	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[6]-4:C-3:	C(OC[6])(CCCH)(O)	O(CCO)	O(C[6]C[6]2H)(CCO)	C(OC[6])(CCCH)(O)	O(CCO)	O(C[6]C[6]2H)(CCO)	123.9491	1.164	8	123.9491	1.355	8	123.3192	0.996	1332	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[6]-4:C-3:	C(OC[6])(CCCO)(O)	O(CCO)	O(C[6]C[5,6]C[6]H)(CCO)	C(OC[6])(CCCO)(O)	O(CCO)	O(C[6]C[5,6]C[6]H)(CCO)	125.3440	0.000	1	125.3440	0.000	1	123.3192	0.996	1332	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[6]-4:C-3:	C(OC[6])(CCCO)(O)	O(CCO)	O(C[6]C[6]2H)(CCO)	C(OC[6])(CCCO)(O)	O(CCO)	O(C[6]C[6]2H)(CCO)	125.6630	0.774	3	125.6630	0.598	3	123.3192	0.996	1332	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[6]-4:C-3:	C(OC[6])(CCHH)(O)	O(CCO)	O(C[6]C[3,6]C[6,6]H)(CCO)	C(OC[6])(CCHH)(O)	O(CCO)	O(C[6]C[3,6]C[6,6]H)(CCO)	123.8780	0.064	2	123.8780	0.004	2	123.3192	0.996	1332	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[6]-4:C-3:	C(OC[6])(CCHH)(O)	O(CCO)	O(C[6]C[5,6,6]C[6]H)(CCO)	C(OC[6])(CCHH)(O)	O(CCO)	O(C[6]C[5,6,6]C[6]H)(CCO)	122.8160	0.000	1	122.8160	0.000	1	123.3192	0.996	1332	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[6]-4:C-3:	C(OC[6])(CCHH)(O)	O(CCO)	O(C[6]C[6]2C)(CCO)	C(OC[6])(CCHH)(O)	O(CCO)	O(C[6]C[6]2C)(CCO)	121.6977	3.051	4	121.6977	9.306	4	123.3192	0.996	1332	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[6]-4:C-3:	C(OC[6])(CCHH)(O)	O(CCO)	O(C[6]C[6]2Fe)(CCO)	C(OC[6])(CCHH)(O)	O(CCO)	O(C[6]C[6]2Fe)(CCO)	123.5187	1.278	4	123.5187	1.633	4	123.3192	0.996	1332	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[6]-4:C-3:	C(OC[6])(CCHH)(O)	O(CCO)	O(C[6]C[6]2H)(CCO)	C(OC[6])(CCHH)(O)	O(CCO)	O(C[6]C[6]2H)(CCO)	123.7547	0.755	22	123.7547	0.571	22	123.3192	0.996	1332	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[6]-4:C-3:	C(OC[6])(CCHH)(O)	O(CCO)	O(C[6]C[6]O[6]H)(CCO)	C(OC[6])(CCHH)(O)	O(CCO)	O(C[6]C[6]O[6]H)(CCO)	122.7240	0.000	1	122.7240	0.000	1	123.3192	0.996	1332	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[6]-4:C-3:	C(OC[6])(CCHN)(O)	O(CCO)	O(C[6]C[6]2H)(CCO)	C(OC[6])(CCHN)(O)	O(CCO)	O(C[6]C[6]2H)(CCO)	124.3713	1.331	4	124.3713	1.771	4	123.3192	0.996	1332	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[6]-4:C-3:	C(OC[6])(CCHN)(O)	O(CCO)	O(C[6]C[6]O[6]H)(CCO)	C(OC[6])(CCHN)(O)	O(CCO)	O(C[6]C[6]O[6]H)(CCO)	124.7000	0.000	1	124.7000	0.000	1	123.3192	0.996	1332	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[6]-4:C-3:	C(OC[6])(CCHO)(O)	O(CCO)	O(C[6]C[6]2H)(CCO)	C(OC[6])(CCHO)(O)	O(CCO)	O(C[6]C[6]2H)(CCO)	125.1283	1.033	12	125.1283	1.068	12	123.3192	0.996	1332	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[6]-4:C-3:	C(OC[6])(CCl3)(O)	O(CCO)	O(C[6]C[6]2H)(CCO)	C(OC[6])(CCl3)(O)	O(CCO)	O(C[6]C[6]2H)(CCO)	128.0707	0.094	3	128.0707	0.009	3	123.3192	0.996	1332	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[6]-4:C-3:	C(OC[6])(CH3)(O)	O(CCO)	O(C[6]C[3,6]C[6]H)(CCO)	C(OC[6])(CH3)(O)	O(CCO)	O(C[6]C[3,6]C[6]H)(CCO)	123.4553	0.177	3	123.4553	0.031	3	123.3192	0.996	1332	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[6]-4:C-3:	C(OC[6])(CH3)(O)	O(CCO)	O(C[6]C[3x6]C[6]H)(CCO)	C(OC[6])(CH3)(O)	O(CCO)	O(C[6]C[3x6]C[6]H)(CCO)	123.8983	0.970	3	123.8983	0.941	3	123.3192	0.996	1332	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[6]-4:C-3:	C(OC[6])(CH3)(O)	O(CCO)	O(C[6]C[4,6]C[6]H)(CCO)	C(OC[6])(CH3)(O)	O(CCO)	O(C[6]C[4,6]C[6]H)(CCO)	123.2130	0.236	4	123.2130	0.056	4	123.3192	0.996	1332	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[6]-4:C-3:	C(OC[6])(CH3)(O)	O(CCO)	O(C[6]C[4x6]C[6]H)(CCO)	C(OC[6])(CH3)(O)	O(CCO)	O(C[6]C[4x6]C[6]H)(CCO)	123.5468	0.299	4	123.5468	0.089	4	123.3192	0.996	1332	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[6]-4:C-3:	C(OC[6])(CH3)(O)	O(CCO)	O(C[6]C[5,5,6,6]C[6]H)(CCO)	C(OC[6])(CH3)(O)	O(CCO)	O(C[6]C[5,5,6,6]C[6]H)(CCO)	122.4730	0.000	1	122.4730	0.000	1	123.3192	0.996	1332	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[6]-4:C-3:	C(OC[6])(CH3)(O)	O(CCO)	O(C[6]C[5,5,6]C[6]H)(CCO)	C(OC[6])(CH3)(O)	O(CCO)	O(C[6]C[5,5,6]C[6]H)(CCO)	123.6793	0.631	3	123.6793	0.398	3	123.3192	0.996	1332	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[6]-4:C-3:	C(OC[6])(CH3)(O)	O(CCO)	O(C[6]C[5,6,6]C[6,6]H)(CCO)	C(OC[6])(CH3)(O)	O(CCO)	O(C[6]C[5,6,6]C[6,6]H)(CCO)	123.3873	0.702	3	123.3873	0.493	3	123.3192	0.996	1332	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[6]-4:C-3:	C(OC[6])(CH3)(O)	O(CCO)	O(C[6]C[5,6,6]C[6]H)(CCO)	C(OC[6])(CH3)(O)	O(CCO)	O(C[6]C[5,6,6]C[6]H)(CCO)	123.0258	0.465	4	123.0258	0.216	4	123.3192	0.996	1332	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[6]-4:C-3:	C(OC[6])(CH3)(O)	O(CCO)	O(C[6]C[5,6]2H)(CCO)	C(OC[6])(CH3)(O)	O(CCO)	O(C[6]C[5,6]2H)(CCO)	122.4820	0.000	1	122.4820	0.000	1	123.3192	0.996	1332	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[6]-4:C-3:	C(OC[6])(CH3)(O)	O(CCO)	O(C[6]C[5,6]C[6,6]H)(CCO)	C(OC[6])(CH3)(O)	O(CCO)	O(C[6]C[5,6]C[6,6]H)(CCO)	123.8060	0.453	5	123.8060	0.205	5	123.3192	0.996	1332	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[6]-4:C-3:	C(OC[6])(CH3)(O)	O(CCO)	O(C[6]C[5,6]C[6]C)(CCO)	C(OC[6])(CH3)(O)	O(CCO)	O(C[6]C[5,6]C[6]C)(CCO)	124.5130	1.093	2	124.5130	1.195	2	123.3192	0.996	1332	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[6]-4:C-3:	C(OC[6])(CH3)(O)	O(CCO)	O(C[6]C[5,6]C[6]H)(CCO)	C(OC[6])(CH3)(O)	O(CCO)	O(C[6]C[5,6]C[6]H)(CCO)	123.2511	1.181	73	123.2511	1.395	73	123.3192	0.996	1332	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[6]-4:C-3:	C(OC[6])(CH3)(O)	O(CCO)	O(C[6]C[5,6]N[6]H)(CCO)	C(OC[6])(CH3)(O)	O(CCO)	O(C[6]C[5,6]N[6]H)(CCO)	123.3780	0.000	1	123.3780	0.000	1	123.3192	0.996	1332	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[6]-4:C-3:	C(OC[6])(CH3)(O)	O(CCO)	O(C[6]C[5,6]O[6]H)(CCO)	C(OC[6])(CH3)(O)	O(CCO)	O(C[6]C[5,6]O[6]H)(CCO)	123.3780	0.000	1	123.3780	0.000	1	123.3192	0.996	1332	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[6]-4:C-3:	C(OC[6])(CH3)(O)	O(CCO)	O(C[6]C[5]C[6]2)(CCO)	C(OC[6])(CH3)(O)	O(CCO)	O(C[6]C[5]C[6]2)(CCO)	125.4920	0.000	1	125.4920	0.000	1	123.3192	0.996	1332	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[6]-4:C-3:	C(OC[6])(CH3)(O)	O(CCO)	O(C[6]C[5a,6]C[6]H)(CCO)	C(OC[6])(CH3)(O)	O(CCO)	O(C[6]C[5a,6]C[6]H)(CCO)	122.2815	1.896	2	122.2815	3.594	2	123.3192	0.996	1332	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[6]-4:C-3:	C(OC[6])(CH3)(O)	O(CCO)	O(C[6]C[6,6]2H)(CCO)	C(OC[6])(CH3)(O)	O(CCO)	O(C[6]C[6,6]2H)(CCO)	123.2835	0.361	2	123.2835	0.131	2	123.3192	0.996	1332	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[6]-4:C-3:	C(OC[6])(CH3)(O)	O(CCO)	O(C[6]C[6,6]C[6]C)(CCO)	C(OC[6])(CH3)(O)	O(CCO)	O(C[6]C[6,6]C[6]C)(CCO)	125.3820	1.428	2	125.3820	2.040	2	123.3192	0.996	1332	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[6]-4:C-3:	C(OC[6])(CH3)(O)	O(CCO)	O(C[6]C[6,6]C[6]H)(CCO)	C(OC[6])(CH3)(O)	O(CCO)	O(C[6]C[6,6]C[6]H)(CCO)	123.6228	0.735	137	123.6228	0.540	137	123.3192	0.996	1332	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[6]-4:C-3:	C(OC[6])(CH3)(O)	O(CCO)	O(C[6]C[6,6]C[6]O)(CCO)	C(OC[6])(CH3)(O)	O(CCO)	O(C[6]C[6,6]C[6]O)(CCO)	123.7265	1.483	2	123.7265	2.199	2	123.3192	0.996	1332	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[6]-4:C-3:	C(OC[6])(CH3)(O)	O(CCO)	O(C[6]C[6,6]O[6]H)(CCO)	C(OC[6])(CH3)(O)	O(CCO)	O(C[6]C[6,6]O[6]H)(CCO)	122.5617	1.666	3	122.5617	2.774	3	123.3192	0.996	1332	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[6]-4:C-3:	C(OC[6])(CH3)(O)	O(CCO)	O(C[6]C[6,6a]C[5,6]H)(CCO)	C(OC[6])(CH3)(O)	O(CCO)	O(C[6]C[6,6a]C[5,6]H)(CCO)	123.4645	0.081	2	123.4645	0.007	2	123.3192	0.996	1332	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[6]-4:C-3:	C(OC[6])(CH3)(O)	O(CCO)	O(C[6]C[6,6a]C[6,6]H)(CCO)	C(OC[6])(CH3)(O)	O(CCO)	O(C[6]C[6,6a]C[6,6]H)(CCO)	122.9780	0.000	1	122.9780	0.000	1	123.3192	0.996	1332	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[6]-4:C-3:	C(OC[6])(CH3)(O)	O(CCO)	O(C[6]C[6,6a]C[6]2)(CCO)	C(OC[6])(CH3)(O)	O(CCO)	O(C[6]C[6,6a]C[6]2)(CCO)	124.3033	0.454	3	124.3033	0.206	3	123.3192	0.996	1332	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[6]-4:C-3:	C(OC[6])(CH3)(O)	O(CCO)	O(C[6]C[6,6a]C[6]H)(CCO)	C(OC[6])(CH3)(O)	O(CCO)	O(C[6]C[6,6a]C[6]H)(CCO)	122.8260	0.312	7	122.8260	0.097	7	123.3192	0.996	1332	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[6]-4:C-3:	C(OC[6])(CH3)(O)	O(CCO)	O(C[6]C[6]2C)(CCO)	C(OC[6])(CH3)(O)	O(CCO)	O(C[6]C[6]2C)(CCO)	122.8258	1.238	13	122.8258	1.533	13	123.3192	0.996	1332	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[6]-4:C-3:	C(OC[6])(CH3)(O)	O(CCO)	O(C[6]C[6]2Fe)(CCO)	C(OC[6])(CH3)(O)	O(CCO)	O(C[6]C[6]2Fe)(CCO)	123.3585	0.386	4	123.3585	0.149	4	123.3192	0.996	1332	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[6]-4:C-3:	C(OC[6])(CH3)(O)	O(CCO)	O(C[6]C[6]2H)(CCO)	C(OC[6])(CH3)(O)	O(CCO)	O(C[6]C[6]2H)(CCO)	123.2305	0.841	882	123.2305	0.707	882	123.3192	0.996	1332	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[6]-4:C-3:	C(OC[6])(CH3)(O)	O(CCO)	O(C[6]C[6]2N)(CCO)	C(OC[6])(CH3)(O)	O(CCO)	O(C[6]C[6]2N)(CCO)	123.2035	0.868	2	123.2035	0.753	2	123.3192	0.996	1332	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[6]-4:C-3:	C(OC[6])(CH3)(O)	O(CCO)	O(C[6]C[6]2O)(CCO)	C(OC[6])(CH3)(O)	O(CCO)	O(C[6]C[6]2O)(CCO)	122.1423	0.340	4	122.1423	0.116	4	123.3192	0.996	1332	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[6]-4:C-3:	C(OC[6])(CH3)(O)	O(CCO)	O(C[6]C[6]N[6]H)(CCO)	C(OC[6])(CH3)(O)	O(CCO)	O(C[6]C[6]N[6]H)(CCO)	123.0695	0.428	2	123.0695	0.183	2	123.3192	0.996	1332	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[6]-4:C-3:	C(OC[6])(CH3)(O)	O(CCO)	O(C[6]C[6]O[6]H)(CCO)	C(OC[6])(CH3)(O)	O(CCO)	O(C[6]C[6]O[6]H)(CCO)	122.7709	0.398	22	122.7709	0.159	22	123.3192	0.996	1332	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[6]-4:C-3:	C(OC[6])(CH3)(O)	O(CCO)	O(C[6]C[6]P[6]H)(CCO)	C(OC[6])(CH3)(O)	O(CCO)	O(C[6]C[6]P[6]H)(CCO)	124.1120	0.000	1	124.1120	0.000	1	123.3192	0.996	1332	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[6]-4:C-3:	C(OC[6])(CHHN)(O)	O(CCO)	O(C[6]C[6]2H)(CCO)	C(OC[6])(CHHN)(O)	O(CCO)	O(C[6]C[6]2H)(CCO)	124.7243	0.524	3	124.7243	0.274	3	123.3192	0.996	1332	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[6]-4:C-3:	C(OC[6])(CHHO)(O)	O(CCO)	O(C[6]C[6]2H)(CCO)	C(OC[6])(CHHO)(O)	O(CCO)	O(C[6]C[6]2H)(CCO)	124.4356	2.408	15	124.4356	5.796	15	123.3192	0.996	1332	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[6]-4:C-3:	C(OC[6])(CHHO)(O)	O(CCO)	O(C[6]C[6]O[6]H)(CCO)	C(OC[6])(CHHO)(O)	O(CCO)	O(C[6]C[6]O[6]H)(CCO)	124.6050	0.000	1	124.6050	0.000	1	123.3192	0.996	1332	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	C[6]-4:C-3:	C(OC[6])(CHHS)(O)	O(CCO)	O(C[6]C[6]2H)(CCO)	C(OC[6])(CHHS)(O)	O(CCO)	O(C[6]C[6]2H)(CCO)	124.4030	0.000	1	124.4030	0.000	1	123.3192	0.996	1332	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	Ga[5]-4:C-3:	C(OGa[5])(CCHN)(O)	O(CCO)	O(Ga[5]N[5]O[5]O)(CCO)	C(OGa[5])(CCHN)(O)	O(CCO)	O(Ga[5]N[5]O[5]O)(CCO)	123.2440	0.624	2	123.2440	0.389	2	124.1090	1.138	4	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:C-4:O-1:	C-3:	Ga[5]-4:C-3:	C(OGa[5])(CHHN)(O)	O(CCO)	O(Ga[5]N[5,6]O[5]O)(CCO)	C(OGa[5])(CHHN)(O)	O(CCO)	O(Ga[5]N[5,6]O[5]O)(CCO)	124.9740	0.180	2	124.9740	0.032	2	124.1090	1.138	4	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	4:3:	O-2:P-4:O-1:	C-3:	B[5]-4:C-3:	C(OB[5])(PC3)(O)	O(COP)	O(B[5]C[5,6a]Cl[5]Cl)(COP)	C(OB[5])(PC3)(O)	O(COP)	O(B[5]C[5,6a]Cl[5]Cl)(COP)	126.9830	0.000	1	126.9830	0.000	1	126.9830	0.000	1	123.3263	1.061	1856	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	5:3:	O-2:C-4:O-1:	C-3:	B[3,3,5,4x6]-5:C-3:	C(OB[3,3,5,4x6])(CH3)(O)	O(CCO)	O(B[3,3,5,4x6]B[4x3,5,5,7x6]2B[5x3,5,5,4x6]H)(CCO)	C(OB[3,3,5,4x6])(CH3)(O)	O(CCO)	O(B[3,3,5,4x6]B[4x3,5,5,7x6]2B[5x3,5,5,4x6]H)(CCO)	124.5780	0.000	1	124.5780	0.000	1	124.5780	0.000	1	122.7520	2.258	9	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	5:3:	O-2:C-4:O-1:	C-3:	Ga[3x5]-5:C-3:	C(OGa[3x5])(CHHN)(O)	O(CCO)	O(Ga[3x5]N[5,5]2O[5]2)(CCO)	C(OGa[3x5])(CHHN)(O)	O(CCO)	O(Ga[3x5]N[5,5]2O[5]2)(CCO)	122.8820	0.170	2	122.8820	0.029	2	122.8820	0.029	2	122.7520	2.258	9	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	5:3:	O-2:C-4:O-1:	C-3:	Ga[4x6]-5:C-3:	C(OGa[4x6])(CCHH)(O)	O(CCO)	O(Ga[4x6]N[5a,6,6]4)(CCO)	C(OGa[4x6])(CCHH)(O)	O(CCO)	O(Ga[4x6]N[5a,6,6]4)(CCO)	121.3990	0.000	1	121.3990	0.000	1	121.3990	0.000	1	122.7520	2.258	9	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	5:3:	O-2:C-4:O-1:	C-3:	Ga[5,5]-5:C-3:	C(OGa[5,5])(CHHN)(O)	O(CCO)	O(Ga[5,5]N[5,5]O[5]2O)(CCO)	C(OGa[5,5])(CHHN)(O)	O(CCO)	O(Ga[5,5]N[5,5]O[5]2O)(CCO)	123.5050	0.000	1	123.5050	0.000	1	123.5050	0.000	1	122.7520	2.258	9	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	5:3:	O-2:C-4:O-1:	C-3:	Ga[5,6]-5:C-3:	C(OGa[5,6])(CHHN)(O)	O(CCO)	O(Ga[5,6]N[5,6]O[5]O[6]O)(CCO)	C(OGa[5,6])(CHHN)(O)	O(CCO)	O(Ga[5,6]N[5,6]O[5]O[6]O)(CCO)	123.0280	0.000	1	123.0280	0.000	1	123.0280	0.000	1	122.7520	2.258	9	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	5:3:	O-2:C-4:O-1:	C-3:	I[5]-5:C-3:	C(OI[5])(CH3)(O)	O(CCO)	O(I[5]C[5,6a]O[5]OO)(CCO)	C(OI[5])(CH3)(O)	O(CCO)	O(I[5]C[5,6a]O[5]OO)(CCO)	120.8065	0.301	2	120.8065	0.090	2	120.8065	0.090	2	122.7520	2.258	9	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	5:3:	O-2:C-4:O-1:	C-3:	In[5,5]-5:C-3:	C(OIn[5,5])(CHHN)(O)	O(CCO)	O(In[5,5]N[5]2O[5]2)(CCO)	C(OIn[5,5])(CHHN)(O)	O(CCO)	O(In[5,5]N[5]2O[5]2)(CCO)	124.8810	0.000	1	124.8810	0.000	1	124.8810	0.000	1	122.7520	2.258	9	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	6:3:	O-2:C-4:O-1:	C-3:	B[5x3,5x5,20x6]-6:C-3:	C(OB[5x3,5x5,20x6])(CH3)(O)	O(CCO)	O(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(CCO)	C(OB[5x3,5x5,20x6])(CH3)(O)	O(CCO)	O(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(CCO)	122.7500	0.000	1	122.7500	0.000	1	122.9185	0.057	2	122.7324	1.300	5	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	6:3:	O-2:C-4:O-1:	C-3:	B[5x3,5x5,20x6]-6:C-3:	C(OB[5x3,5x5,20x6])(CH3)(O)	O(CCO)	O(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(CCO)	C(OB[5x3,5x5,20x6])(CH3)(O)	O(CCO)	O(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(CCO)	123.0870	0.000	1	123.0870	0.000	1	122.9185	0.057	2	122.7324	1.300	5	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	6:3:	O-2:C-4:O-1:	C-3:	Si[4x6]-6:C-3:	C(OSi[4x6])(CCHH)(O)	O(CCO)	O(Si[4x6]N[5a,6,6]4O)(CCO)	C(OSi[4x6])(CCHH)(O)	O(CCO)	O(Si[4x6]N[5a,6,6]4O)(CCO)	124.4050	0.000	1	124.4050	0.000	1	124.4050	0.000	1	122.7324	1.300	5	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	2:4:1:	3:	6:3:	O-2:C[3x6]-4:O-1:	C-3:	B[5x3,5x5,20x6]-6:C-3:	C(OB[5x3,5x5,20x6])(C[3x6]C[6,6]3)(O)	O(CC[3x6]O)	O(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(CC[3x6]O)	C(OB[5x3,5x5,20x6])(C[3x6]C[6,6]3)(O)	O(CC[3x6]O)	O(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(CC[3x6]O)	121.7100	0.430	2	121.7100	0.185	2	121.7100	0.185	2	122.7324	1.300	5	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	2:3:	C-3:O-2:O-1:	C-3:	N-2:C-3:	C(CCH)(ON)(O)	O(CCO)	O(NC[6])(CCO)	C(CCH)(ON)(O)	O(CCO)	O(NC[6])(CCO)	123.4840	0.000	1	123.4840	0.000	1	123.4840	0.000	1	123.2797	0.172	3	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	2:3:	N-3:O-2:O-1:	C-3:	C-2:C-3:	C(NC[5]H)(OC)(O)	O(CNO)	O(CC[6a])(CNO)	C(NC[5]H)(OC)(O)	O(CNO)	O(CC[6a])(CNO)	123.1775	0.531	2	123.1775	0.282	2	123.1775	0.282	2	123.2797	0.172	3	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:1:	C-3:O-2:O-1:	C-3:	C-3:C-1:	C(CCN)(OC)(O)	O(CCO)	O(CCO)(C)	C(CCN)(OC)(O)	O(CCO)	O(CCO)(C)	123.9040	0.000	1	123.9040	0.000	1	123.9040	0.000	1	123.4064	2.533	6479	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:1:	C-3:O-2:O-1:	C-3:	C-3:D-1:	C(COO)(OD)(O)	O(CCO)	O(CCO)(D)	C(COO)(OD)(O)	O(CCO)	O(CCO)(D)	122.0870	0.000	1	122.0870	0.000	1	122.0870	0.000	1	123.4064	2.533	6479	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:1:	C-3:O-2:O-1:	C-3:	C-3:H-1:	C(CBrC)(OH)(O)	O(CCO)	O(CCO)(H)	C(CBrC)(OH)(O)	O(CCO)	O(CCO)(H)	122.5520	0.000	1	122.5520	0.000	1	123.4765	3.588	1134	123.4064	2.533	6479	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:1:	C-3:O-2:O-1:	C-3:	C-3:H-1:	C(CCC)(OH)(O)	O(CCO)	O(CCO)(H)	C(CCC)(OH)(O)	O(CCO)	O(CCO)(H)	122.8201	1.414	97	122.8201	1.999	97	123.4765	3.588	1134	123.4064	2.533	6479	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:1:	C-3:O-2:O-1:	C-3:	C-3:H-1:	C(CCH)(OH)(O)	O(CCO)	O(CCO)(H)	C(CCH)(OH)(O)	O(CCO)	O(CCO)(H)	122.8092	1.476	659	122.8092	2.179	659	123.4765	3.588	1134	123.4064	2.533	6479	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:1:	C-3:O-2:O-1:	C-3:	C-3:H-1:	C(CCN)(OH)(O)	O(CCO)	O(CCO)(H)	C(CCN)(OH)(O)	O(CCO)	O(CCO)(H)	122.3633	2.045	17	122.3633	4.182	17	123.4765	3.588	1134	123.4064	2.533	6479	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:1:	C-3:O-2:O-1:	C-3:	C-3:H-1:	C(CCO)(OH)(O)	O(CCO)	O(CCO)(H)	C(CCO)(OH)(O)	O(CCO)	O(CCO)(H)	124.1790	0.915	10	124.1790	0.837	10	123.4765	3.588	1134	123.4064	2.533	6479	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:1:	C-3:O-2:O-1:	C-3:	C-3:H-1:	C(CCS)(OH)(O)	O(CCO)	O(CCO)(H)	C(CCS)(OH)(O)	O(CCO)	O(CCO)(H)	120.6300	0.000	1	120.6300	0.000	1	123.4765	3.588	1134	123.4064	2.533	6479	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:1:	C-3:O-2:O-1:	C-3:	C-3:H-1:	C(CC[4]H)(OH)(O)	O(CCO)	O(CCO)(H)	C(CC[4]H)(OH)(O)	O(CCO)	O(CCO)(H)	122.8785	0.233	4	122.8785	0.054	4	123.4765	3.588	1134	123.4064	2.533	6479	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:1:	C-3:O-2:O-1:	C-3:	C-3:H-1:	C(CC[5]C)(OH)(O)	O(CCO)	O(CCO)(H)	C(CC[5]C)(OH)(O)	O(CCO)	O(CCO)(H)	122.9924	1.348	8	122.9924	1.818	8	123.4765	3.588	1134	123.4064	2.533	6479	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:1:	C-3:O-2:O-1:	C-3:	C-3:H-1:	C(CC[5]H)(OH)(O)	O(CCO)	O(CCO)(H)	C(CC[5]H)(OH)(O)	O(CCO)	O(CCO)(H)	122.2280	1.746	4	122.2280	3.049	4	123.4765	3.588	1134	123.4064	2.533	6479	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:1:	C-3:O-2:O-1:	C-3:	C-3:H-1:	C(CC[5a]H)(OH)(O)	O(CCO)	O(CCO)(H)	C(CC[5a]H)(OH)(O)	O(CCO)	O(CCO)(H)	122.0005	0.435	4	122.0005	0.189	4	123.4765	3.588	1134	123.4064	2.533	6479	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:1:	C-3:O-2:O-1:	C-3:	C-3:H-1:	C(CC[6]C)(OH)(O)	O(CCO)	O(CCO)(H)	C(CC[6]C)(OH)(O)	O(CCO)	O(CCO)(H)	122.8906	0.574	14	122.8906	0.330	14	123.4765	3.588	1134	123.4064	2.533	6479	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:1:	C-3:O-2:O-1:	C-3:	C-3:H-1:	C(CC[6]H)(OH)(O)	O(CCO)	O(CCO)(H)	C(CC[6]H)(OH)(O)	O(CCO)	O(CCO)(H)	122.4333	0.720	6	122.4333	0.518	6	123.4765	3.588	1134	123.4064	2.533	6479	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:1:	C-3:O-2:O-1:	C-3:	C-3:H-1:	C(CC[6a]C)(OH)(O)	O(CCO)	O(CCO)(H)	C(CC[6a]C)(OH)(O)	O(CCO)	O(CCO)(H)	122.6659	0.349	24	122.6659	0.122	24	123.4765	3.588	1134	123.4064	2.533	6479	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:1:	C-3:O-2:O-1:	C-3:	C-3:H-1:	C(CC[6a]C[5])(OH)(O)	O(CCO)	O(CCO)(H)	C(CC[6a]C[5])(OH)(O)	O(CCO)	O(CCO)(H)	122.6145	0.575	4	122.6145	0.330	4	123.4765	3.588	1134	123.4064	2.533	6479	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:1:	C-3:O-2:O-1:	C-3:	C-3:H-1:	C(CC[6a]C[6])(OH)(O)	O(CCO)	O(CCO)(H)	C(CC[6a]C[6])(OH)(O)	O(CCO)	O(CCO)(H)	122.7400	0.233	2	122.7400	0.054	2	123.4765	3.588	1134	123.4064	2.533	6479	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:1:	C-3:O-2:O-1:	C-3:	C-3:H-1:	C(CC[6a]N)(OH)(O)	O(CCO)	O(CCO)(H)	C(CC[6a]N)(OH)(O)	O(CCO)	O(CCO)(H)	124.3460	0.000	1	124.3460	0.000	1	123.4765	3.588	1134	123.4064	2.533	6479	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:1:	C-3:O-2:O-1:	C-3:	C-3:H-1:	C(CC[6a]O)(OH)(O)	O(CCO)	O(CCO)(H)	C(CC[6a]O)(OH)(O)	O(CCO)	O(CCO)(H)	125.9197	0.312	3	125.9197	0.097	3	123.4765	3.588	1134	123.4064	2.533	6479	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:1:	C-3:O-2:O-1:	C-3:	C-3:H-1:	C(CCl2)(OH)(O)	O(CCO)	O(CCO)(H)	C(CCl2)(OH)(O)	O(CCO)	O(CCO)(H)	127.0780	0.000	1	127.0780	0.000	1	123.4765	3.588	1134	123.4064	2.533	6479	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:1:	C-3:O-2:O-1:	C-3:	C-3:H-1:	C(CClC)(OH)(O)	O(CCO)	O(CCO)(H)	C(CClC)(OH)(O)	O(CCO)	O(CCO)(H)	126.3010	0.000	1	126.3010	0.000	1	123.4765	3.588	1134	123.4064	2.533	6479	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:1:	C-3:O-2:O-1:	C-3:	C-3:H-1:	C(CHH)(OH)(O)	O(CCO)	O(CCO)(H)	C(CHH)(OH)(O)	O(CCO)	O(CCO)(H)	123.7085	2.604	2	123.7085	6.782	2	123.4765	3.588	1134	123.4064	2.533	6479	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:1:	C-3:O-2:O-1:	C-3:	C-3:H-1:	C(CNO)(OH)(O)	O(CCO)	O(CCO)(H)	C(CNO)(OH)(O)	O(CCO)	O(CCO)(H)	126.3190	0.795	2	126.3190	0.632	2	123.4765	3.588	1134	123.4064	2.533	6479	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:1:	C-3:O-2:O-1:	C-3:	C-3:H-1:	C(CN[6a]C)(OH)(O)	O(CCO)	O(CCO)(H)	C(CN[6a]C)(OH)(O)	O(CCO)	O(CCO)(H)	124.3970	0.000	1	124.3970	0.000	1	123.4765	3.588	1134	123.4064	2.533	6479	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:1:	C-3:O-2:O-1:	C-3:	C-3:H-1:	C(COO)(OH)(O)	O(CCO)	O(CCO)(H)	C(COO)(OH)(O)	O(CCO)	O(CCO)(H)	125.5966	1.490	266	125.5966	2.221	266	123.4765	3.588	1134	123.4064	2.533	6479	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:1:	C-3:O-2:O-1:	C-3:	C-3:H-1:	C(COsC)(OH)(O)	O(CCO)	O(CCO)(H)	C(COsC)(OH)(O)	O(CCO)	O(CCO)(H)	116.2390	0.000	1	116.2390	0.000	1	123.4765	3.588	1134	123.4064	2.533	6479	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:1:	C-3:O-2:O-1:	C-3:	C-3:H-1:	C(CPP)(OH)(O)	O(CCO)	O(CCO)(H)	C(CPP)(OH)(O)	O(CCO)	O(CCO)(H)	120.1560	0.000	1	120.1560	0.000	1	123.4765	3.588	1134	123.4064	2.533	6479	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:1:	C[4]-3:O-2:O-1:	C-3:	C-3:H-1:	C(C[4]C[4,5,6]C[4])(OH)(O)	O(CC[4]O)	O(CC[4]O)(H)	C(C[4]C[4,5,6]C[4])(OH)(O)	O(CC[4]O)	O(CC[4]O)(H)	123.5495	0.077	2	123.5495	0.006	2	123.5495	0.006	2	123.4064	2.533	6479	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:1:	C[5]-3:O-2:O-1:	C-3:	C-3:H-1:	C(C[5]C[3,5]C[5])(OH)(O)	O(CC[5]O)	O(CC[5]O)(H)	C(C[5]C[3,5]C[5])(OH)(O)	O(CC[5]O)	O(CC[5]O)(H)	123.5040	0.000	1	123.5040	0.000	1	123.8565	3.313	78	123.4064	2.533	6479	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:1:	C[5]-3:O-2:O-1:	C-3:	C-3:H-1:	C(C[5]C[4,5]C[5])(OH)(O)	O(CC[5]O)	O(CC[5]O)(H)	C(C[5]C[4,5]C[5])(OH)(O)	O(CC[5]O)	O(CC[5]O)(H)	123.8670	0.000	1	123.8670	0.000	1	123.8565	3.313	78	123.4064	2.533	6479	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:1:	C[5]-3:O-2:O-1:	C-3:	C-3:H-1:	C(C[5]C[5,5]C[5])(OH)(O)	O(CC[5]O)	O(CC[5]O)(H)	C(C[5]C[5,5]C[5])(OH)(O)	O(CC[5]O)	O(CC[5]O)(H)	123.2950	0.000	1	123.2950	0.000	1	123.8565	3.313	78	123.4064	2.533	6479	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:1:	C[5]-3:O-2:O-1:	C-3:	C-3:H-1:	C(C[5]C[5,6]2)(OH)(O)	O(CC[5]O)	O(CC[5]O)(H)	C(C[5]C[5,6]2)(OH)(O)	O(CC[5]O)	O(CC[5]O)(H)	121.5767	0.499	3	121.5767	0.249	3	123.8565	3.313	78	123.4064	2.533	6479	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:1:	C[5]-3:O-2:O-1:	C-3:	C-3:H-1:	C(C[5]C[5,6]C[5])(OH)(O)	O(CC[5]O)	O(CC[5]O)(H)	C(C[5]C[5,6]C[5])(OH)(O)	O(CC[5]O)	O(CC[5]O)(H)	124.9930	0.000	1	124.9930	0.000	1	123.8565	3.313	78	123.4064	2.533	6479	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:1:	C[5]-3:O-2:O-1:	C-3:	C-3:H-1:	C(C[5]C[5]2)(OH)(O)	O(CC[5]O)	O(CC[5]O)(H)	C(C[5]C[5]2)(OH)(O)	O(CC[5]O)	O(CC[5]O)(H)	123.1210	1.353	11	123.1210	1.831	11	123.8565	3.313	78	123.4064	2.533	6479	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:1:	C[5]-3:O-2:O-1:	C-3:	C-3:H-1:	C(C[5]C[5]N[5])(OH)(O)	O(CC[5]O)	O(CC[5]O)(H)	C(C[5]C[5]N[5])(OH)(O)	O(CC[5]O)	O(CC[5]O)(H)	123.5601	1.376	42	123.5601	1.894	42	123.8565	3.313	78	123.4064	2.533	6479	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:1:	C[5]-3:O-2:O-1:	C-3:	C-3:H-1:	C(C[5]C[5]S[5])(OH)(O)	O(CC[5]O)	O(CC[5]O)(H)	C(C[5]C[5]S[5])(OH)(O)	O(CC[5]O)	O(CC[5]O)(H)	123.7714	1.262	11	123.7714	1.592	11	123.8565	3.313	78	123.4064	2.533	6479	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:1:	C[5]-3:O-2:O-1:	C-3:	C-3:H-1:	C(C[5]N[5]2)(OH)(O)	O(CC[5]O)	O(CC[5]O)(H)	C(C[5]N[5]2)(OH)(O)	O(CC[5]O)	O(CC[5]O)(H)	127.9322	0.753	6	127.9322	0.567	6	123.8565	3.313	78	123.4064	2.533	6479	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:1:	C[5]-3:O-2:O-1:	C-3:	C-3:H-1:	C(C[5]Se[5]C[5])(OH)(O)	O(CC[5]O)	O(CC[5]O)(H)	C(C[5]Se[5]C[5])(OH)(O)	O(CC[5]O)	O(CC[5]O)(H)	127.4850	0.000	1	127.4850	0.000	1	123.8565	3.313	78	123.4064	2.533	6479	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:1:	C[5a]-3:O-2:O-1:	C-3:	C-3:H-1:	C(C[5a]C[5a,6a]2)(OH)(O)	O(CC[5a]O)	O(CC[5a]O)(H)	C(C[5a]C[5a,6a]2)(OH)(O)	O(CC[5a]O)	O(CC[5a]O)(H)	120.8230	0.000	1	120.8230	0.000	1	123.7476	2.145	181	123.4064	2.533	6479	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:1:	C[5a]-3:O-2:O-1:	C-3:	C-3:H-1:	C(C[5a]C[5a,6a]C[5a])(OH)(O)	O(CC[5a]O)	O(CC[5a]O)(H)	C(C[5a]C[5a,6a]C[5a])(OH)(O)	O(CC[5a]O)	O(CC[5a]O)(H)	121.8682	0.778	17	121.8682	0.605	17	123.7476	2.145	181	123.4064	2.533	6479	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:1:	C[5a]-3:O-2:O-1:	C-3:	C-3:H-1:	C(C[5a]C[5a,6a]N[5a])(OH)(O)	O(CC[5a]O)	O(CC[5a]O)(H)	C(C[5a]C[5a,6a]N[5a])(OH)(O)	O(CC[5a]O)	O(CC[5a]O)(H)	124.4314	0.710	12	124.4314	0.504	12	123.7476	2.145	181	123.4064	2.533	6479	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:1:	C[5a]-3:O-2:O-1:	C-3:	C-3:H-1:	C(C[5a]C[5a]2)(OH)(O)	O(CC[5a]O)	O(CC[5a]O)(H)	C(C[5a]C[5a]2)(OH)(O)	O(CC[5a]O)	O(CC[5a]O)(H)	123.0915	0.878	16	123.0915	0.771	16	123.7476	2.145	181	123.4064	2.533	6479	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:1:	C[5a]-3:O-2:O-1:	C-3:	C-3:H-1:	C(C[5a]C[5a]N[5a])(OH)(O)	O(CC[5a]O)	O(CC[5a]O)(H)	C(C[5a]C[5a]N[5a])(OH)(O)	O(CC[5a]O)	O(CC[5a]O)(H)	123.8561	1.505	94	123.8561	2.266	94	123.7476	2.145	181	123.4064	2.533	6479	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:1:	C[5a]-3:O-2:O-1:	C-3:	C-3:H-1:	C(C[5a]C[5a]O[5a])(OH)(O)	O(CC[5a]O)	O(CC[5a]O)(H)	C(C[5a]C[5a]O[5a])(OH)(O)	O(CC[5a]O)	O(CC[5a]O)(H)	124.2790	1.827	8	124.2790	3.338	8	123.7476	2.145	181	123.4064	2.533	6479	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:1:	C[5a]-3:O-2:O-1:	C-3:	C-3:H-1:	C(C[5a]C[5a]S[5a])(OH)(O)	O(CC[5a]O)	O(CC[5a]O)(H)	C(C[5a]C[5a]S[5a])(OH)(O)	O(CC[5a]O)	O(CC[5a]O)(H)	124.4012	0.878	32	124.4012	0.770	32	123.7476	2.145	181	123.4064	2.533	6479	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:1:	C[5a]-3:O-2:O-1:	C-3:	C-3:H-1:	C(C[5a]N[5a]2)(OH)(O)	O(CC[5a]O)	O(CC[5a]O)(H)	C(C[5a]N[5a]2)(OH)(O)	O(CC[5a]O)	O(CC[5a]O)(H)	125.5610	0.000	1	125.5610	0.000	1	123.7476	2.145	181	123.4064	2.533	6479	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:1:	C[6,6]-3:O-2:O-1:	C-3:	C-3:C-1:	C(C[6,6]C[3x6]C[6,6])(OC)(O)	O(CC[6,6]O)	O(CC[6,6]O)(C)	C(C[6,6]C[3x6]C[6,6])(OC)(O)	O(CC[6,6]O)	O(CC[6,6]O)(C)	124.7980	0.363	4	124.7980	0.132	4	124.7980	0.132	4	123.4064	2.533	6479	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:1:	C[6,6]-3:O-2:O-1:	C-3:	C-3:H-1:	C(C[6,6]C[3x6]C[6,6])(OH)(O)	O(CC[6,6]O)	O(CC[6,6]O)(H)	C(C[6,6]C[3x6]C[6,6])(OH)(O)	O(CC[6,6]O)	O(CC[6,6]O)(H)	123.8270	0.000	1	123.8270	0.000	1	123.8270	0.000	1	123.4064	2.533	6479	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:1:	C[6]-3:O-2:O-1:	C-3:	C-3:H-1:	C(C[6]C[5,6]C[6])(OH)(O)	O(CC[6]O)	O(CC[6]O)(H)	C(C[6]C[5,6]C[6])(OH)(O)	O(CC[6]O)	O(CC[6]O)(H)	123.5355	0.868	2	123.5355	0.753	2	124.5564	3.803	338	123.4064	2.533	6479	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:1:	C[6]-3:O-2:O-1:	C-3:	C-3:H-1:	C(C[6]C[6,6]C[6])(OH)(O)	O(CC[6]O)	O(CC[6]O)(H)	C(C[6]C[6,6]C[6])(OH)(O)	O(CC[6]O)	O(CC[6]O)(H)	122.7337	0.997	3	122.7337	0.993	3	124.5564	3.803	338	123.4064	2.533	6479	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:1:	C[6]-3:O-2:O-1:	C-3:	C-3:H-1:	C(C[6]C[6,6a]2)(OH)(O)	O(CC[6]O)	O(CC[6]O)(H)	C(C[6]C[6,6a]2)(OH)(O)	O(CC[6]O)	O(CC[6]O)(H)	126.1960	0.000	1	126.1960	0.000	1	124.5564	3.803	338	123.4064	2.533	6479	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:1:	C[6]-3:O-2:O-1:	C-3:	C-3:H-1:	C(C[6]C[6,6a]C[6])(OH)(O)	O(CC[6]O)	O(CC[6]O)(H)	C(C[6]C[6,6a]C[6])(OH)(O)	O(CC[6]O)	O(CC[6]O)(H)	124.2022	0.811	8	124.2022	0.658	8	124.5564	3.803	338	123.4064	2.533	6479	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:1:	C[6]-3:O-2:O-1:	C-3:	C-3:H-1:	C(C[6]C[6]2)(OH)(O)	O(CC[6]O)	O(CC[6]O)(H)	C(C[6]C[6]2)(OH)(O)	O(CC[6]O)	O(CC[6]O)(H)	124.3513	1.946	272	124.3513	3.786	272	124.5564	3.803	338	123.4064	2.533	6479	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:1:	C[6]-3:O-2:O-1:	C-3:	C-3:H-1:	C(C[6]C[6]N[6])(OH)(O)	O(CC[6]O)	O(CC[6]O)(H)	C(C[6]C[6]N[6])(OH)(O)	O(CC[6]O)	O(CC[6]O)(H)	125.8892	1.629	50	125.8892	2.654	50	124.5564	3.803	338	123.4064	2.533	6479	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:1:	C[6]-3:O-2:O-1:	C-3:	C-3:H-1:	C(C[6]N[4,6]C[6])(OH)(O)	O(CC[6]O)	O(CC[6]O)(H)	C(C[6]N[4,6]C[6])(OH)(O)	O(CC[6]O)	O(CC[6]O)(H)	123.4825	0.305	2	123.4825	0.093	2	124.5564	3.803	338	123.4064	2.533	6479	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:1:	C[6a]-3:O-2:O-1:	C-3:	C-3:D-1:	C(C[6a]C[6a]2)(OD)(O)	O(CC[6a]O)	O(CC[6a]O)(D)	C(C[6a]C[6a]2)(OD)(O)	O(CC[6a]O)	O(CC[6a]O)(D)	125.7009	0.624	11	125.7009	0.389	11	125.7009	0.389	11	123.4064	2.533	6479	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:1:	C[6a]-3:O-2:O-1:	C-3:	C-3:Ga-1:	C(C[6a]C[6a]2)(OGa)(O)	O(CC[6a]O)	O(CC[6a]O)(Ga)	C(C[6a]C[6a]2)(OGa)(O)	O(CC[6a]O)	O(CC[6a]O)(Ga)	118.0330	0.000	2	118.0330	0.000	2	118.0330	0.000	2	123.4064	2.533	6479	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:1:	C[6a]-3:O-2:O-1:	C-3:	C-3:H-1:	C(C[6a]C[4,6a]C[6a])(OH)(O)	O(CC[6a]O)	O(CC[6a]O)(H)	C(C[6a]C[4,6a]C[6a])(OH)(O)	O(CC[6a]O)	O(CC[6a]O)(H)	123.0420	0.000	1	123.0420	0.000	1	123.2828	2.061	4722	123.4064	2.533	6479	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:1:	C[6a]-3:O-2:O-1:	C-3:	C-3:H-1:	C(C[6a]C[5,6a]C[6a])(OH)(O)	O(CC[6a]O)	O(CC[6a]O)(H)	C(C[6a]C[5,6a]C[6a])(OH)(O)	O(CC[6a]O)	O(CC[6a]O)(H)	121.3998	1.659	9	121.3998	2.751	9	123.2828	2.061	4722	123.4064	2.533	6479	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:1:	C[6a]-3:O-2:O-1:	C-3:	C-3:H-1:	C(C[6a]C[5a,6a]C[6a])(OH)(O)	O(CC[6a]O)	O(CC[6a]O)(H)	C(C[6a]C[5a,6a]C[6a])(OH)(O)	O(CC[6a]O)	O(CC[6a]O)(H)	123.5201	1.062	9	123.5201	1.129	9	123.2828	2.061	4722	123.4064	2.533	6479	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:1:	C[6a]-3:O-2:O-1:	C-3:	C-3:H-1:	C(C[6a]C[6,6a]C[6a])(OH)(O)	O(CC[6a]O)	O(CC[6a]O)(H)	C(C[6a]C[6,6a]C[6a])(OH)(O)	O(CC[6a]O)	O(CC[6a]O)(H)	124.0078	1.395	4	124.0078	1.946	4	123.2828	2.061	4722	123.4064	2.533	6479	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:1:	C[6a]-3:O-2:O-1:	C-3:	C-3:H-1:	C(C[6a]C[6a,6a]2)(OH)(O)	O(CC[6a]O)	O(CC[6a]O)(H)	C(C[6a]C[6a,6a]2)(OH)(O)	O(CC[6a]O)	O(CC[6a]O)(H)	123.8679	1.338	24	123.8679	1.789	24	123.2828	2.061	4722	123.4064	2.533	6479	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:1:	C[6a]-3:O-2:O-1:	C-3:	C-3:H-1:	C(C[6a]C[6a,6a]C[6a])(OH)(O)	O(CC[6a]O)	O(CC[6a]O)(H)	C(C[6a]C[6a,6a]C[6a])(OH)(O)	O(CC[6a]O)	O(CC[6a]O)(H)	123.7731	1.790	43	123.7731	3.204	43	123.2828	2.061	4722	123.4064	2.533	6479	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:1:	C[6a]-3:O-2:O-1:	C-3:	C-3:H-1:	C(C[6a]C[6a,6a]N[6a])(OH)(O)	O(CC[6a]O)	O(CC[6a]O)(H)	C(C[6a]C[6a,6a]N[6a])(OH)(O)	O(CC[6a]O)	O(CC[6a]O)(H)	124.9510	0.795	3	124.9510	0.633	3	123.2828	2.061	4722	123.4064	2.533	6479	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:1:	C[6a]-3:O-2:O-1:	C-3:	C-3:H-1:	C(C[6a]C[6a]2)(OH)(O)	O(CC[6a]O)	O(CC[6a]O)(H)	C(C[6a]C[6a]2)(OH)(O)	O(CC[6a]O)	O(CC[6a]O)(H)	123.2229	1.386	4447	123.2229	1.921	4447	123.2828	2.061	4722	123.4064	2.533	6479	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:1:	C[6a]-3:O-2:O-1:	C-3:	C-3:H-1:	C(C[6a]C[6a]N[6a])(OH)(O)	O(CC[6a]O)	O(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(OH)(O)	O(CC[6a]O)	O(CC[6a]O)(H)	124.5026	1.813	171	124.5026	3.287	171	123.2828	2.061	4722	123.4064	2.533	6479	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:1:	C[6a]-3:O-2:O-1:	C-3:	C-3:H-1:	C(C[6a]C[6a]O[6a])(OH)(O)	O(CC[6a]O)	O(CC[6a]O)(H)	C(C[6a]C[6a]O[6a])(OH)(O)	O(CC[6a]O)	O(CC[6a]O)(H)	125.9919	0.631	11	125.9919	0.398	11	123.2828	2.061	4722	123.4064	2.533	6479	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:1:	N-3:O-2:O-1:	C-3:	C-3:H-1:	C(NCC)(OH)(O)	O(CNO)	O(CNO)(H)	C(NCC)(OH)(O)	O(CNO)	O(CNO)(H)	123.1903	0.111	4	123.1903	0.012	4	123.1903	0.012	4	123.4064	2.533	6479	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:2:	C-3:O-2:O-1:	C-3:	C-3:N-2:	C(CCH)(ON)(O)	O(CCO)	O(CCO)(NC)	C(CCH)(ON)(O)	O(CCO)	O(CCO)(NC)	124.6650	0.465	2	124.6650	0.216	2	124.6650	0.216	2	123.0665	6.635	50	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:2:	C[5]-3:O-2:O-1:	C-3:	C-3:C-2:	C(C[5]N[5]2)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CC)	C(C[5]N[5]2)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CC)	124.4600	0.000	1	124.4600	0.000	1	124.4600	0.000	1	123.0665	6.635	50	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:2:	C[5a]-3:O-2:O-1:	C-3:	C-3:C-2:	C(C[5a]C[5,5a]C[5a])(OC)(O)	O(CC[5a]O)	O(CC[5a]O)(CC)	C(C[5a]C[5,5a]C[5a])(OC)(O)	O(CC[5a]O)	O(CC[5a]O)(CC)	123.4450	0.000	1	123.4450	0.000	1	123.4450	0.000	1	123.0665	6.635	50	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:2:	C[6a]-3:O-2:O-1:	C-3:	C-3:H-2:	C(C[6a]C[6,6a]C[6a])(OH)(O)	O(CC[6a]O)	O(CC[6a]O)(HO)	C(C[6a]C[6,6a]C[6a])(OH)(O)	O(CC[6a]O)	O(CC[6a]O)(HO)	119.4640	0.000	1	119.4640	0.000	1	121.4389	0.731	13	123.0665	6.635	50	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:2:	C[6a]-3:O-2:O-1:	C-3:	C-3:H-2:	C(C[6a]C[6a]2)(OH)(O)	O(CC[6a]O)	O(CC[6a]O)(HO)	C(C[6a]C[6a]2)(OH)(O)	O(CC[6a]O)	O(CC[6a]O)(HO)	121.6035	0.643	12	121.6035	0.413	12	121.4389	0.731	13	123.0665	6.635	50	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:2:	C[6a]-3:O-2:O-1:	C-3:	C-3:N-2:	C(C[6a]C[6a]2)(ON)(O)	O(CC[6a]O)	O(CC[6a]O)(NC)	C(C[6a]C[6a]2)(ON)(O)	O(CC[6a]O)	O(CC[6a]O)(NC)	123.6077	0.925	12	123.6077	0.855	12	124.4204	1.468	27	123.0665	6.635	50	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:2:	C[6a]-3:O-2:O-1:	C-3:	C-3:N-2:	C(C[6a]C[6a]2)(ON)(O)	O(CC[6a]O)	O(CC[6a]O)(NC[5])	C(C[6a]C[6a]2)(ON)(O)	O(CC[6a]O)	O(CC[6a]O)(NC[5])	123.8610	0.000	1	123.8610	0.000	1	124.4204	1.468	27	123.0665	6.635	50	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:2:	C[6a]-3:O-2:O-1:	C-3:	C-3:N-2:	C(C[6a]C[6a]2)(ON)(O)	O(CC[6a]O)	O(CC[6a]O)(NC[6,6])	C(C[6a]C[6a]2)(ON)(O)	O(CC[6a]O)	O(CC[6a]O)(NC[6,6])	124.9370	0.000	1	124.9370	0.000	1	124.4204	1.468	27	123.0665	6.635	50	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:2:	C[6a]-3:O-2:O-1:	C-3:	C-3:N-2:	C(C[6a]C[6a]2)(ON)(O)	O(CC[6a]O)	O(CC[6a]O)(NC[6])	C(C[6a]C[6a]2)(ON)(O)	O(CC[6a]O)	O(CC[6a]O)(NC[6])	125.1739	1.036	13	125.1739	1.072	13	124.4204	1.468	27	123.0665	6.635	50	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:2:	C[6a]-3:O-2:O-1:	C-3:	C-3:O-2:	C(C[6a]C[6a]2)(OO)(O)	O(CC[6a]O)	O(CC[6a]O)(OH)	C(C[6a]C[6a]2)(OO)(O)	O(CC[6a]O)	O(CC[6a]O)(OH)	123.8190	0.000	1	123.8190	0.000	1	123.8190	0.000	1	123.0665	6.635	50	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:2:	N-3:O-2:O-1:	C-3:	C-3:N-2:	C(NCH)(ON)(O)	O(CNO)	O(CNO)(NC)	C(NCH)(ON)(O)	O(CNO)	O(CNO)(NC)	115.2543	0.422	3	115.2543	0.178	3	118.8432	24.276	5	123.0665	6.635	50	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:2:	N-3:O-2:O-1:	C-3:	C-3:N-2:	C(NC[6a]H)(ON)(O)	O(CNO)	O(CNO)(NC)	C(NC[6a]H)(ON)(O)	O(CNO)	O(CNO)(NC)	124.2265	0.383	2	124.2265	0.146	2	118.8432	24.276	5	123.0665	6.635	50	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:3:	B[5a]-3:O-2:O-1:	C-3:	C[6a]-3:C-3:	C(B[5a]N[5a]2)(OC[6a])(O)	O(CB[5a]O)	O(C[6a]C[6a]2)(CB[5a]O)	C(B[5a]N[5a]2)(OC[6a])(O)	O(CB[5a]O)	O(C[6a]C[6a]2)(CB[5a]O)	121.7840	0.000	2	121.7840	0.000	2	121.7840	0.000	2	122.9745	2.858	691	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:3:	C-3:O-2:O-1:	C-3:	C-3:C-3:	C(CCC)(OC)(O)	O(CCO)	O(CCC)(CCO)	C(CCC)(OC)(O)	O(CCO)	O(CCC)(CCO)	119.2490	4.171	2	119.2490	17.393	2	120.2243	8.805	9	122.9745	2.858	691	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:3:	C-3:O-2:O-1:	C-3:	C-3:C-3:	C(CCC)(OC)(O)	O(CCO)	O(CCO)2	C(CCC)(OC)(O)	O(CCO)	O(CCO)2	116.8200	0.000	1	116.8200	0.000	1	120.2243	8.805	9	122.9745	2.858	691	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:3:	C-3:O-2:O-1:	C-3:	C-3:C-3:	C(CCH)(OC)(O)	O(CCO)	O(CCH)(CCO)	C(CCH)(OC)(O)	O(CCO)	O(CCH)(CCO)	121.3940	1.314	2	121.3940	1.726	2	120.2243	8.805	9	122.9745	2.858	691	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:3:	C-3:O-2:O-1:	C-3:	C-3:C-3:	C(CCH)(OC)(O)	O(CCO)	O(CCO)2	C(CCH)(OC)(O)	O(CCO)	O(CCO)2	116.2860	0.000	1	116.2860	0.000	1	120.2243	8.805	9	122.9745	2.858	691	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:3:	C-3:O-2:O-1:	C-3:	C-3:C-3:	C(CC[5]C)(OC)(O)	O(CCO)	O(CCH)(CCO)	C(CC[5]C)(OC)(O)	O(CCO)	O(CCH)(CCO)	124.0320	0.000	1	124.0320	0.000	1	120.2243	8.805	9	122.9745	2.858	691	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:3:	C-3:O-2:O-1:	C-3:	C-3:C-3:	C(CC[6]C)(OC)(O)	O(CCO)	O(CCO)2	C(CC[6]C)(OC)(O)	O(CCO)	O(CCO)2	121.7975	0.364	2	121.7975	0.133	2	120.2243	8.805	9	122.9745	2.858	691	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:3:	C-3:O-2:O-1:	C-3:	C[6a]-3:C-3:	C(CC[4]H)(OC[6a])(O)	O(CCO)	O(C[6a]C[6a]2)(CCO)	C(CC[4]H)(OC[6a])(O)	O(CCO)	O(C[6a]C[6a]2)(CCO)	122.1440	0.000	1	122.1440	0.000	1	121.8810	0.146	3	122.9745	2.858	691	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:3:	C-3:O-2:O-1:	C-3:	C[6a]-3:C-3:	C(CC[6]C)(OC[6a])(O)	O(CCO)	O(C[6a]C[6a]2)(CCO)	C(CC[6]C)(OC[6a])(O)	O(CCO)	O(C[6a]C[6a]2)(CCO)	122.0570	0.000	1	122.0570	0.000	1	121.8810	0.146	3	122.9745	2.858	691	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:3:	C-3:O-2:O-1:	C-3:	C[6a]-3:C-3:	C(CC[6]H)(OC[6a])(O)	O(CCO)	O(C[6a]C[6a]2)(CCO)	C(CC[6]H)(OC[6a])(O)	O(CCO)	O(C[6a]C[6a]2)(CCO)	121.4420	0.000	1	121.4420	0.000	1	121.8810	0.146	3	122.9745	2.858	691	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:3:	C[4]-3:O-2:O-1:	C-3:	C[6a]-3:C-3:	C(C[4]C[4]2)(OC[6a])(O)	O(CC[4]O)	O(C[6a]C[6a]2)(CC[4]O)	C(C[4]C[4]2)(OC[6a])(O)	O(CC[4]O)	O(C[6a]C[6a]2)(CC[4]O)	124.1430	0.000	1	124.1430	0.000	1	124.1430	0.000	1	122.9745	2.858	691	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:3:	C[5]-3:O-2:O-1:	C-3:	C-3:C-3:	C(C[5]C[5]2)(OC)(O)	O(CC[5]O)	O(CC[6a]O)(CC[5]O)	C(C[5]C[5]2)(OC)(O)	O(CC[5]O)	O(CC[6a]O)(CC[5]O)	117.0250	0.000	1	117.0250	0.000	1	117.0250	0.000	1	122.9745	2.858	691	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:3:	C[5]-3:O-2:O-1:	C-3:	C[6]-3:C-3:	C(C[5]C[5]2)(OC[6])(O)	O(CC[5]O)	O(C[6]C[6]2)(CC[5]O)	C(C[5]C[5]2)(OC[6])(O)	O(CC[5]O)	O(C[6]C[6]2)(CC[5]O)	122.8060	0.000	1	122.8060	0.000	1	122.8060	0.000	1	122.9745	2.858	691	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:3:	C[5]-3:O-2:O-1:	C-3:	C[6a]-3:C-3:	C(C[5]C[5]2)(OC[6a])(O)	O(CC[5]O)	O(C[6a]C[6a]2)(CC[5]O)	C(C[5]C[5]2)(OC[6a])(O)	O(CC[5]O)	O(C[6a]C[6a]2)(CC[5]O)	123.2245	0.423	6	123.2245	0.179	6	123.2245	0.179	6	122.9745	2.858	691	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:3:	C[5a]-3:O-2:O-1:	C-3:	C-3:C-3:	C(C[5a]C[5a]2)(OC)(O)	O(CC[5a]O)	O(CC[5a]O)2	C(C[5a]C[5a]2)(OC)(O)	O(CC[5a]O)	O(CC[5a]O)2	114.3783	0.141	4	114.3783	0.020	4	114.3783	0.020	4	122.9745	2.858	691	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:3:	C[5a]-3:O-2:O-1:	C-3:	C[6a]-3:C-3:	C(C[5a]C[5a,6a]C[5a])(OC[6a])(O)	O(CC[5a]O)	O(C[6a]C[6a]2)(CC[5a]O)	C(C[5a]C[5a,6a]C[5a])(OC[6a])(O)	O(CC[5a]O)	O(C[6a]C[6a]2)(CC[5a]O)	122.1953	0.604	3	122.1953	0.365	3	123.2945	1.684	6	122.9745	2.858	691	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:3:	C[5a]-3:O-2:O-1:	C-3:	C[6a]-3:C-3:	C(C[5a]C[5a]O[5a])(OC[6a])(O)	O(CC[5a]O)	O(C[6a]C[6a,6a]C[6a])(CC[5a]O)	C(C[5a]C[5a]O[5a])(OC[6a])(O)	O(CC[5a]O)	O(C[6a]C[6a,6a]C[6a])(CC[5a]O)	124.7570	0.000	1	124.7570	0.000	1	123.2945	1.684	6	122.9745	2.858	691	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:3:	C[5a]-3:O-2:O-1:	C-3:	C[6a]-3:C-3:	C(C[5a]C[5a]O[5a])(OC[6a])(O)	O(CC[5a]O)	O(C[6a]C[6a]2)(CC[5a]O)	C(C[5a]C[5a]O[5a])(OC[6a])(O)	O(CC[5a]O)	O(C[6a]C[6a]2)(CC[5a]O)	124.2120	0.492	2	124.2120	0.242	2	123.2945	1.684	6	122.9745	2.858	691	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:3:	C[6,6]-3:O-2:O-1:	C-3:	C-3:C-3:	C(C[6,6]C[3x6]C[6,6])(OC)(O)	O(CC[6,6]O)	O(CC[6,6]O)(CHH)	C(C[6,6]C[3x6]C[6,6])(OC)(O)	O(CC[6,6]O)	O(CC[6,6]O)(CHH)	122.8280	0.000	1	122.8280	0.000	1	122.8280	0.000	1	122.9745	2.858	691	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:3:	C[6]-3:O-2:O-1:	C-3:	C-3:C-3:	C(C[6]C[6,6]C[6])(OC)(O)	O(CC[6]O)	O(CC[6]O)(CHH)	C(C[6]C[6,6]C[6])(OC)(O)	O(CC[6]O)	O(CC[6]O)(CHH)	126.3680	0.000	1	126.3680	0.000	1	122.9193	14.735	4	122.9745	2.858	691	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:3:	C[6]-3:O-2:O-1:	C-3:	C-3:C-3:	C(C[6]C[6]2)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CHH)	C(C[6]C[6]2)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CHH)	126.0660	0.000	1	126.0660	0.000	1	122.9193	14.735	4	122.9745	2.858	691	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:3:	C[6]-3:O-2:O-1:	C-3:	C-3:C-3:	C(C[6]C[6]2)(OC)(O)	O(CC[6]O)	O(CC[6]O)2	C(C[6]C[6]2)(OC)(O)	O(CC[6]O)	O(CC[6]O)2	119.6215	0.811	2	119.6215	0.658	2	122.9193	14.735	4	122.9745	2.858	691	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:3:	C[6]-3:O-2:O-1:	C-3:	C[6a]-3:C-3:	C(C[6]C[6,6a]2)(OC[6a])(O)	O(CC[6]O)	O(C[6a]C[6a]2)(CC[6]O)	C(C[6]C[6,6a]2)(OC[6a])(O)	O(CC[6]O)	O(C[6a]C[6a]2)(CC[6]O)	125.3261	0.488	15	125.3261	0.238	15	124.5305	1.231	47	122.9745	2.858	691	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:3:	C[6]-3:O-2:O-1:	C-3:	C[6a]-3:C-3:	C(C[6]C[6]2)(OC[6a])(O)	O(CC[6]O)	O(C[6a]C[6a,6a]C[6a])(CC[6]O)	C(C[6]C[6]2)(OC[6a])(O)	O(CC[6]O)	O(C[6a]C[6a,6a]C[6a])(CC[6]O)	123.4965	0.329	6	123.4965	0.109	6	124.5305	1.231	47	122.9745	2.858	691	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:3:	C[6]-3:O-2:O-1:	C-3:	C[6a]-3:C-3:	C(C[6]C[6]2)(OC[6a])(O)	O(CC[6]O)	O(C[6a]C[6a]2)(CC[6]O)	C(C[6]C[6]2)(OC[6a])(O)	O(CC[6]O)	O(C[6a]C[6a]2)(CC[6]O)	124.1393	1.163	23	124.1393	1.352	23	124.5305	1.231	47	122.9745	2.858	691	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:3:	C[6]-3:O-2:O-1:	C-3:	C[6a]-3:C-3:	C(C[6]C[6]N[6])(OC[6a])(O)	O(CC[6]O)	O(C[6a]C[6a]2)(CC[6]O)	C(C[6]C[6]N[6])(OC[6a])(O)	O(CC[6]O)	O(C[6a]C[6a]2)(CC[6]O)	125.6200	0.091	3	125.6200	0.008	3	124.5305	1.231	47	122.9745	2.858	691	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:3:	C[6]-3:O-2:O-1:	C-3:	N[5a]-3:C-3:	C(C[6]C[6]2)(ON[5a])(O)	O(CC[6]O)	O(N[5a]C[5a,6a]N[5a])(CC[6]O)	C(C[6]C[6]2)(ON[5a])(O)	O(CC[6]O)	O(N[5a]C[5a,6a]N[5a])(CC[6]O)	119.3120	0.000	1	119.3120	0.000	1	119.3120	0.000	1	122.9745	2.858	691	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:3:	C[6a]-3:O-2:O-1:	C-3:	C-3:C-3:	C(C[6a]C[5a,6a]C[6a])(OC)(O)	O(CC[6a]O)	O(CC[6a]O)(CCH)	C(C[6a]C[5a,6a]C[6a])(OC)(O)	O(CC[6a]O)	O(CC[6a]O)(CCH)	121.3810	0.000	1	121.3810	0.000	1	122.3058	2.711	63	122.9745	2.858	691	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:3:	C[6a]-3:O-2:O-1:	C-3:	C-3:C-3:	C(C[6a]C[6,6a]C[6a])(OC)(O)	O(CC[6a]O)	O(CC[6a]O)(CC[5]O)	C(C[6a]C[6,6a]C[6a])(OC)(O)	O(CC[6a]O)	O(CC[6a]O)(CC[5]O)	118.4360	0.000	1	118.4360	0.000	1	122.3058	2.711	63	122.9745	2.858	691	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:3:	C[6a]-3:O-2:O-1:	C-3:	C-3:C-3:	C(C[6a]C[6a,6a]2)(OC)(O)	O(CC[6a]O)	O(CC[6a]O)(CCO)	C(C[6a]C[6a,6a]2)(OC)(O)	O(CC[6a]O)	O(CC[6a]O)(CCO)	122.6390	0.000	1	122.6390	0.000	1	122.3058	2.711	63	122.9745	2.858	691	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:3:	C[6a]-3:O-2:O-1:	C-3:	C-3:C-3:	C(C[6a]C[6a,6a]2)(OC)(O)	O(CC[6a]O)	O(CC[6a]O)2	C(C[6a]C[6a,6a]2)(OC)(O)	O(CC[6a]O)	O(CC[6a]O)2	122.5960	0.199	2	122.5960	0.040	2	122.3058	2.711	63	122.9745	2.858	691	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:3:	C[6a]-3:O-2:O-1:	C-3:	C-3:C-3:	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[5]C[6])(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[5]C[6])(CC[6a]O)	123.6890	0.000	1	123.6890	0.000	1	122.3058	2.711	63	122.9745	2.858	691	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:3:	C[6a]-3:O-2:O-1:	C-3:	C-3:C-3:	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[5a]C)(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[5a]C)(CC[6a]O)	122.2180	0.000	1	122.2180	0.000	1	122.3058	2.711	63	122.9745	2.858	691	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:3:	C[6a]-3:O-2:O-1:	C-3:	C-3:C-3:	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[6a]C)(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[6a]C)(CC[6a]O)	122.5487	1.528	12	122.5487	2.336	12	122.3058	2.711	63	122.9745	2.858	691	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:3:	C[6a]-3:O-2:O-1:	C-3:	C-3:C-3:	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[6a]C[6])(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[6a]C[6])(CC[6a]O)	123.5420	0.000	1	123.5420	0.000	1	122.3058	2.711	63	122.9745	2.858	691	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:3:	C[6a]-3:O-2:O-1:	C-3:	C-3:C-3:	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[6a]N)(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[6a]N)(CC[6a]O)	122.2197	0.174	3	122.2197	0.030	3	122.3058	2.711	63	122.9745	2.858	691	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:3:	C[6a]-3:O-2:O-1:	C-3:	C-3:C-3:	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[6a]O)(CCC)	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[6a]O)(CCC)	122.5724	1.271	11	122.5724	1.614	11	122.3058	2.711	63	122.9745	2.858	691	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:3:	C[6a]-3:O-2:O-1:	C-3:	C-3:C-3:	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[6a]O)(CCH)	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[6a]O)(CCH)	123.3035	0.514	4	123.3035	0.264	4	122.3058	2.711	63	122.9745	2.858	691	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:3:	C[6a]-3:O-2:O-1:	C-3:	C-3:C-3:	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[6a]O)(CC[6]C)	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[6a]O)(CC[6]C)	122.9935	0.474	2	122.9935	0.225	2	122.3058	2.711	63	122.9745	2.858	691	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:3:	C[6a]-3:O-2:O-1:	C-3:	C-3:C-3:	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[6a]O)(CC[6]H)	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[6a]O)(CC[6]H)	123.8767	0.666	3	123.8767	0.443	3	122.3058	2.711	63	122.9745	2.858	691	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:3:	C[6a]-3:O-2:O-1:	C-3:	C-3:C-3:	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[6a]O)(CN[5]C)	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[6a]O)(CN[5]C)	122.3400	0.000	1	122.3400	0.000	1	122.3058	2.711	63	122.9745	2.858	691	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:3:	C[6a]-3:O-2:O-1:	C-3:	C-3:C-3:	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[6a]O)2	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[6a]O)2	121.5504	2.109	19	121.5504	4.446	19	122.3058	2.711	63	122.9745	2.858	691	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:3:	C[6a]-3:O-2:O-1:	C-3:	C-3:N-3:	C(C[6a]C[6a]2)(ON)(O)	O(CC[6a]O)	O(CC[6a]O)(NCC)	C(C[6a]C[6a]2)(ON)(O)	O(CC[6a]O)	O(CC[6a]O)(NCC)	125.0640	0.000	1	125.0640	0.000	1	124.8550	0.867	5	122.9745	2.858	691	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:3:	C[6a]-3:O-2:O-1:	C-3:	C-3:N-3:	C(C[6a]C[6a]2)(ON)(O)	O(CC[6a]O)	O(CC[6a]O)(NCH)	C(C[6a]C[6a]2)(ON)(O)	O(CC[6a]O)	O(CC[6a]O)(NCH)	125.7180	0.116	2	125.7180	0.013	2	124.8550	0.867	5	122.9745	2.858	691	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:3:	C[6a]-3:O-2:O-1:	C-3:	C-3:N-3:	C(C[6a]C[6a]2)(ON)(O)	O(CC[6a]O)	O(CC[6a]O)(NCO)	C(C[6a]C[6a]2)(ON)(O)	O(CC[6a]O)	O(CC[6a]O)(NCO)	123.8875	0.220	2	123.8875	0.048	2	124.8550	0.867	5	122.9745	2.858	691	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:3:	C[6a]-3:O-2:O-1:	C-3:	C[5]-3:C-3:	C(C[6a]C[6a]2)(OC[5])(O)	O(CC[6a]O)	O(C[5]C[3,5,5]C[5,6])(CC[6a]O)	C(C[6a]C[6a]2)(OC[5])(O)	O(CC[6a]O)	O(C[5]C[3,5,5]C[5,6])(CC[6a]O)	124.0510	0.000	1	124.0510	0.000	1	122.1376	1.667	10	122.9745	2.858	691	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:3:	C[6a]-3:O-2:O-1:	C-3:	C[5]-3:C-3:	C(C[6a]C[6a]2)(OC[5])(O)	O(CC[6a]O)	O(C[5]C[5,5]C[5])(CC[6a]O)	C(C[6a]C[6a]2)(OC[5])(O)	O(CC[6a]O)	O(C[5]C[5,5]C[5])(CC[6a]O)	121.2640	0.000	1	121.2640	0.000	1	122.1376	1.667	10	122.9745	2.858	691	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:3:	C[6a]-3:O-2:O-1:	C-3:	C[5]-3:C-3:	C(C[6a]C[6a]2)(OC[5])(O)	O(CC[6a]O)	O(C[5]C[5,6]C[5])(CC[6a]O)	C(C[6a]C[6a]2)(OC[5])(O)	O(CC[6a]O)	O(C[5]C[5,6]C[5])(CC[6a]O)	122.1917	0.969	4	122.1917	0.939	4	122.1376	1.667	10	122.9745	2.858	691	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:3:	C[6a]-3:O-2:O-1:	C-3:	C[5]-3:C-3:	C(C[6a]C[6a]2)(OC[5])(O)	O(CC[6a]O)	O(C[5]C[5]2)(CC[6a]O)	C(C[6a]C[6a]2)(OC[5])(O)	O(CC[6a]O)	O(C[5]C[5]2)(CC[6a]O)	123.0310	1.168	2	123.0310	1.365	2	122.1376	1.667	10	122.9745	2.858	691	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:3:	C[6a]-3:O-2:O-1:	C-3:	C[5]-3:C-3:	C(C[6a]C[6a]2)(OC[5])(O)	O(CC[6a]O)	O(C[5]P[5]2)(CC[6a]O)	C(C[6a]C[6a]2)(OC[5])(O)	O(CC[6a]O)	O(C[5]P[5]2)(CC[6a]O)	120.6160	0.402	2	120.6160	0.161	2	122.1376	1.667	10	122.9745	2.858	691	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:3:	C[6a]-3:O-2:O-1:	C-3:	C[5a]-3:C-3:	C(C[6a]C[6a]2)(OC[5a])(O)	O(CC[6a]O)	O(C[5a]C[5a,6a]C[5a])(CC[6a]O)	C(C[6a]C[6a]2)(OC[5a])(O)	O(CC[6a]O)	O(C[5a]C[5a,6a]C[5a])(CC[6a]O)	123.1252	0.483	9	123.1252	0.234	9	121.9537	3.603	19	122.9745	2.858	691	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:3:	C[6a]-3:O-2:O-1:	C-3:	C[5a]-3:C-3:	C(C[6a]C[6a]2)(OC[5a])(O)	O(CC[6a]O)	O(C[5a]C[5a]2)(CC[6a]O)	C(C[6a]C[6a]2)(OC[5a])(O)	O(CC[6a]O)	O(C[5a]C[5a]2)(CC[6a]O)	122.8330	0.000	1	122.8330	0.000	1	121.9537	3.603	19	122.9745	2.858	691	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:3:	C[6a]-3:O-2:O-1:	C-3:	C[5a]-3:C-3:	C(C[6a]C[6a]2)(OC[5a])(O)	O(CC[6a]O)	O(C[5a]C[5a]N[5a])(CC[6a]O)	C(C[6a]C[6a]2)(OC[5a])(O)	O(CC[6a]O)	O(C[5a]C[5a]N[5a])(CC[6a]O)	121.2203	1.449	8	121.2203	2.100	8	121.9537	3.603	19	122.9745	2.858	691	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:3:	C[6a]-3:O-2:O-1:	C-3:	C[5a]-3:C-3:	C(C[6a]C[6a]2)(OC[5a])(O)	O(CC[6a]O)	O(C[5a]N[5a]S[5a])(CC[6a]O)	C(C[6a]C[6a]2)(OC[5a])(O)	O(CC[6a]O)	O(C[5a]N[5a]S[5a])(CC[6a]O)	116.3990	0.000	1	116.3990	0.000	1	121.9537	3.603	19	122.9745	2.858	691	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:3:	C[6a]-3:O-2:O-1:	C-3:	C[6]-3:C-3:	C(C[6a]C[6a]2)(OC[6])(O)	O(CC[6a]O)	O(C[6]C[6,6]C[6])(CC[6a]O)	C(C[6a]C[6a]2)(OC[6])(O)	O(CC[6a]O)	O(C[6]C[6,6]C[6])(CC[6a]O)	123.1767	1.074	3	123.1767	1.153	3	122.9026	1.062	12	122.9745	2.858	691	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:3:	C[6a]-3:O-2:O-1:	C-3:	C[6]-3:C-3:	C(C[6a]C[6a]2)(OC[6])(O)	O(CC[6a]O)	O(C[6]C[6]2)(CC[6a]O)	C(C[6a]C[6a]2)(OC[6])(O)	O(CC[6a]O)	O(C[6]C[6]2)(CC[6a]O)	122.8112	1.065	9	122.8112	1.134	9	122.9026	1.062	12	122.9745	2.858	691	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:3:	C[6a]-3:O-2:O-1:	C-3:	C[6a]-3:C-3:	C(C[6a]C[5,6a]C[6a])(OC[6a])(O)	O(CC[6a]O)	O(C[6a]C[6a]2)(CC[6a]O)	C(C[6a]C[5,6a]C[6a])(OC[6a])(O)	O(CC[6a]O)	O(C[6a]C[6a]2)(CC[6a]O)	122.6060	0.000	1	122.6060	0.000	1	122.9264	1.541	380	122.9745	2.858	691	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:3:	C[6a]-3:O-2:O-1:	C-3:	C[6a]-3:C-3:	C(C[6a]C[6a,6a]2)(OC[6a])(O)	O(CC[6a]O)	O(C[6a]C[6a]2)(CC[6a]O)	C(C[6a]C[6a,6a]2)(OC[6a])(O)	O(CC[6a]O)	O(C[6a]C[6a]2)(CC[6a]O)	123.4052	0.525	10	123.4052	0.276	10	122.9264	1.541	380	122.9745	2.858	691	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:3:	C[6a]-3:O-2:O-1:	C-3:	C[6a]-3:C-3:	C(C[6a]C[6a,6a]C[6a])(OC[6a])(O)	O(CC[6a]O)	O(C[6a]C[5,6a]C[6a])(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(OC[6a])(O)	O(CC[6a]O)	O(C[6a]C[5,6a]C[6a])(CC[6a]O)	122.6365	0.890	2	122.6365	0.793	2	122.9264	1.541	380	122.9745	2.858	691	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:3:	C[6a]-3:O-2:O-1:	C-3:	C[6a]-3:C-3:	C(C[6a]C[6a,6a]C[6a])(OC[6a])(O)	O(CC[6a]O)	O(C[6a]C[6a]2)(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(OC[6a])(O)	O(CC[6a]O)	O(C[6a]C[6a]2)(CC[6a]O)	122.3930	1.038	2	122.3930	1.078	2	122.9264	1.541	380	122.9745	2.858	691	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:3:	C[6a]-3:O-2:O-1:	C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(OC[6a])(O)	O(CC[6a]O)	O(C[6a]C[5,6a]C[6a])(CC[6a]O)	C(C[6a]C[6a]2)(OC[6a])(O)	O(CC[6a]O)	O(C[6a]C[5,6a]C[6a])(CC[6a]O)	121.6655	0.719	6	121.6655	0.517	6	122.9264	1.541	380	122.9745	2.858	691	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:3:	C[6a]-3:O-2:O-1:	C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(OC[6a])(O)	O(CC[6a]O)	O(C[6a]C[6,6a]C[6a])(CC[6a]O)	C(C[6a]C[6a]2)(OC[6a])(O)	O(CC[6a]O)	O(C[6a]C[6,6a]C[6a])(CC[6a]O)	123.1090	0.408	4	123.1090	0.166	4	122.9264	1.541	380	122.9745	2.858	691	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:3:	C[6a]-3:O-2:O-1:	C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(OC[6a])(O)	O(CC[6a]O)	O(C[6a]C[6a,6a]C[6a])(CC[6a]O)	C(C[6a]C[6a]2)(OC[6a])(O)	O(CC[6a]O)	O(C[6a]C[6a,6a]C[6a])(CC[6a]O)	122.4939	0.776	19	122.4939	0.602	19	122.9264	1.541	380	122.9745	2.858	691	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:3:	C[6a]-3:O-2:O-1:	C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(OC[6a])(O)	O(CC[6a]O)	O(C[6a]C[6a,6a]N[6a])(CC[6a]O)	C(C[6a]C[6a]2)(OC[6a])(O)	O(CC[6a]O)	O(C[6a]C[6a,6a]N[6a])(CC[6a]O)	121.2280	0.000	1	121.2280	0.000	1	122.9264	1.541	380	122.9745	2.858	691	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:3:	C[6a]-3:O-2:O-1:	C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(OC[6a])(O)	O(CC[6a]O)	O(C[6a]C[6a]2)(CC[6a]O)	C(C[6a]C[6a]2)(OC[6a])(O)	O(CC[6a]O)	O(C[6a]C[6a]2)(CC[6a]O)	122.9211	1.283	316	122.9211	1.645	316	122.9264	1.541	380	122.9745	2.858	691	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:3:	C[6a]-3:O-2:O-1:	C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(OC[6a])(O)	O(CC[6a]O)	O(C[6a]C[6a]N[6a])(CC[6a]O)	C(C[6a]C[6a]2)(OC[6a])(O)	O(CC[6a]O)	O(C[6a]C[6a]N[6a])(CC[6a]O)	121.6210	0.000	1	121.6210	0.000	1	122.9264	1.541	380	122.9745	2.858	691	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:3:	C[6a]-3:O-2:O-1:	C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]N[6a])(OC[6a])(O)	O(CC[6a]O)	O(C[6a]C[6,6,6a]C[6a])(CC[6a]O)	C(C[6a]C[6a]N[6a])(OC[6a])(O)	O(CC[6a]O)	O(C[6a]C[6,6,6a]C[6a])(CC[6a]O)	124.6310	0.000	1	124.6310	0.000	1	122.9264	1.541	380	122.9745	2.858	691	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:3:	C[6a]-3:O-2:O-1:	C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]N[6a])(OC[6a])(O)	O(CC[6a]O)	O(C[6a]C[6a,6a]C[6a])(CC[6a]O)	C(C[6a]C[6a]N[6a])(OC[6a])(O)	O(CC[6a]O)	O(C[6a]C[6a,6a]C[6a])(CC[6a]O)	123.6440	0.000	1	123.6440	0.000	1	122.9264	1.541	380	122.9745	2.858	691	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:3:	C[6a]-3:O-2:O-1:	C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]N[6a])(OC[6a])(O)	O(CC[6a]O)	O(C[6a]C[6a]2)(CC[6a]O)	C(C[6a]C[6a]N[6a])(OC[6a])(O)	O(CC[6a]O)	O(C[6a]C[6a]2)(CC[6a]O)	123.8332	0.824	16	123.8332	0.678	16	122.9264	1.541	380	122.9745	2.858	691	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:3:	C[6a]-3:O-2:O-1:	C-3:	Ge[6]-3:C-3:	C(C[6a]C[6a]2)(OGe[6])(O)	O(CC[6a]O)	O(Ge[6]N[6]2)(CC[6a]O)	C(C[6a]C[6a]2)(OGe[6])(O)	O(CC[6a]O)	O(Ge[6]N[6]2)(CC[6a]O)	124.9880	0.000	1	124.9880	0.000	1	124.9880	0.000	1	122.9745	2.858	691	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:3:	C[6a]-3:O-2:O-1:	C-3:	N[5]-3:C-3:	C(C[6a]C[6a]2)(ON[5])(O)	O(CC[6a]O)	O(N[5]C[5]2)(CC[6a]O)	C(C[6a]C[6a]2)(ON[5])(O)	O(CC[6a]O)	O(N[5]C[5]2)(CC[6a]O)	121.5662	0.598	5	121.5662	0.358	5	121.5662	0.358	5	122.9745	2.858	691	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:3:	C[6a]-3:O-2:O-1:	C-3:	N[5a]-3:C-3:	C(C[6a]C[6a]2)(ON[5a])(O)	O(CC[6a]O)	O(N[5a]C[5a,6a]N[5a])(CC[6a]O)	C(C[6a]C[6a]2)(ON[5a])(O)	O(CC[6a]O)	O(N[5a]C[5a,6a]N[5a])(CC[6a]O)	120.6240	0.000	1	120.6240	0.000	1	120.6240	0.000	1	122.9745	2.858	691	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:3:	C[6a]-3:O-2:O-1:	C-3:	N[6]-3:C-3:	C(C[6a]C[6a]2)(ON[6])(O)	O(CC[6a]O)	O(N[6]C[6]2)(CC[6a]O)	C(C[6a]C[6a]2)(ON[6])(O)	O(CC[6a]O)	O(N[6]C[6]2)(CC[6a]O)	124.5280	0.440	2	124.5280	0.193	2	124.5280	0.193	2	122.9745	2.858	691	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:3:	N-3:O-2:O-1:	C-3:	B-3:C-3:	C(NCC)(OB)(O)	O(CNO)	O(BC[6a]2)(CNO)	C(NCC)(OB)(O)	O(CNO)	O(BC[6a]2)(CNO)	120.3350	0.000	2	120.3350	0.000	2	120.3350	0.000	2	122.9745	2.858	691	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:3:	N-3:O-2:O-1:	C-3:	C-3:C-3:	C(NCC)(OC)(O)	O(CNO)	O(CCC)(CNO)	C(NCC)(OC)(O)	O(CNO)	O(CCC)(CNO)	121.9557	0.451	4	121.9557	0.204	4	122.2569	0.467	11	122.9745	2.858	691	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:3:	N-3:O-2:O-1:	C-3:	C-3:C-3:	C(NCC)(OC)(O)	O(CNO)	O(CSiC)(CNO)	C(NCC)(OC)(O)	O(CNO)	O(CSiC)(CNO)	121.6563	0.399	3	121.6563	0.159	3	122.2569	0.467	11	122.9745	2.858	691	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:3:	N-3:O-2:O-1:	C-3:	C-3:C-3:	C(NCH)(OC)(O)	O(CNO)	O(CCH)(CNO)	C(NCH)(OC)(O)	O(CNO)	O(CCH)(CNO)	122.8530	0.000	1	122.8530	0.000	1	122.2569	0.467	11	122.9745	2.858	691	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:3:	N-3:O-2:O-1:	C-3:	C-3:C-3:	C(NCH)(OC)(O)	O(CNO)	O(CCN)(CNO)	C(NCH)(OC)(O)	O(CNO)	O(CCN)(CNO)	123.0770	0.000	1	123.0770	0.000	1	122.2569	0.467	11	122.9745	2.858	691	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:3:	N-3:O-2:O-1:	C-3:	C-3:C-3:	C(NC[6a]C)(OC)(O)	O(CNO)	O(CC[6a]C)(CNO)	C(NC[6a]C)(OC)(O)	O(CNO)	O(CC[6a]C)(CNO)	123.0070	0.000	1	123.0070	0.000	1	122.2569	0.467	11	122.9745	2.858	691	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:3:	N-3:O-2:O-1:	C-3:	C-3:C-3:	C(NC[6a]H)(OC)(O)	O(CNO)	O(CCH)(CNO)	C(NC[6a]H)(OC)(O)	O(CNO)	O(CCH)(CNO)	123.0970	0.000	1	123.0970	0.000	1	122.2569	0.467	11	122.9745	2.858	691	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:3:	N-3:O-2:O-1:	C-3:	C-3:N-3:	C(NCH)(ON)(O)	O(CNO)	O(CNO)(NCC)	C(NCH)(ON)(O)	O(CNO)	O(CNO)(NCC)	121.9185	0.419	2	121.9185	0.176	2	121.9185	0.176	2	122.9745	2.858	691	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:3:	N-3:O-2:O-1:	C-3:	C[6a]-3:C-3:	C(NC[5a]H)(OC[6a])(O)	O(CNO)	O(C[6a]C[6a]2)(CNO)	C(NC[5a]H)(OC[6a])(O)	O(CNO)	O(C[6a]C[6a]2)(CNO)	125.3630	0.000	1	125.3630	0.000	1	123.7149	0.780	55	122.9745	2.858	691	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:3:	N-3:O-2:O-1:	C-3:	C[6a]-3:C-3:	C(NC[6]H)(OC[6a])(O)	O(CNO)	O(C[6a]C[6a]2)(CNO)	C(NC[6]H)(OC[6a])(O)	O(CNO)	O(C[6a]C[6a]2)(CNO)	122.7626	0.442	13	122.7626	0.196	13	123.7149	0.780	55	122.9745	2.858	691	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:3:	N-3:O-2:O-1:	C-3:	C[6a]-3:C-3:	C(NC[6a]H)(OC[6a])(O)	O(CNO)	O(C[6a]C[6a,6a]C[6a])(CNO)	C(NC[6a]H)(OC[6a])(O)	O(CNO)	O(C[6a]C[6a,6a]C[6a])(CNO)	123.5870	0.000	1	123.5870	0.000	1	123.7149	0.780	55	122.9745	2.858	691	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:3:	N-3:O-2:O-1:	C-3:	C[6a]-3:C-3:	C(NC[6a]H)(OC[6a])(O)	O(CNO)	O(C[6a]C[6a]2)(CNO)	C(NC[6a]H)(OC[6a])(O)	O(CNO)	O(C[6a]C[6a]2)(CNO)	123.9863	0.756	40	123.9863	0.571	40	123.7149	0.780	55	122.9745	2.858	691	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:3:	N[5,6]-3:O-2:O-1:	C-3:	C[6a]-3:C-3:	C(N[5,6]C[5,5,6]O[5,6])(OC[6a])(O)	O(CN[5,6]O)	O(C[6a]C[6a]2)(CN[5,6]O)	C(N[5,6]C[5,5,6]O[5,6])(OC[6a])(O)	O(CN[5,6]O)	O(C[6a]C[6a]2)(CN[5,6]O)	124.9490	0.000	1	124.9490	0.000	1	124.9490	0.000	1	122.9745	2.858	691	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:3:	N[5]-3:O-2:O-1:	C-3:	C-3:C-3:	C(N[5]C[5,6]N[5])(OC)(O)	O(CN[5]O)	O(CN[5]O)(CCH)	C(N[5]C[5,6]N[5])(OC)(O)	O(CN[5]O)	O(CN[5]O)(CCH)	126.1850	0.000	1	126.1850	0.000	1	125.6080	10.551	3	122.9745	2.858	691	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:3:	N[5]-3:O-2:O-1:	C-3:	C-3:C-3:	C(N[5]C[5,6a]C[5,6])(OC)(O)	O(CN[5]O)	O(CN[5]O)(COO)	C(N[5]C[5,6a]C[5,6])(OC)(O)	O(CN[5]O)	O(CN[5]O)(COO)	122.1100	0.000	1	122.1100	0.000	1	125.6080	10.551	3	122.9745	2.858	691	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:3:	N[5]-3:O-2:O-1:	C-3:	C-3:C-3:	C(N[5]N[5]S[5])(OC)(O)	O(CN[5]O)	O(CN[5]O)(CCH)	C(N[5]N[5]S[5])(OC)(O)	O(CN[5]O)	O(CN[5]O)(CCH)	128.5290	0.000	1	128.5290	0.000	1	125.6080	10.551	3	122.9745	2.858	691	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:3:	N[5]-3:O-2:O-1:	C-3:	C[6a]-3:C-3:	C(N[5]C[5,6]C[5])(OC[6a])(O)	O(CN[5]O)	O(C[6a]C[6a]2)(CN[5]O)	C(N[5]C[5,6]C[5])(OC[6a])(O)	O(CN[5]O)	O(C[6a]C[6a]2)(CN[5]O)	124.9907	0.389	3	124.9907	0.151	3	125.0446	0.081	5	122.9745	2.858	691	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:3:	N[5]-3:O-2:O-1:	C-3:	C[6a]-3:C-3:	C(N[5]C[5]2)(OC[6a])(O)	O(CN[5]O)	O(C[6a]C[6a]2)(CN[5]O)	C(N[5]C[5]2)(OC[6a])(O)	O(CN[5]O)	O(C[6a]C[6a]2)(CN[5]O)	125.1255	0.018	2	125.1255	0.000	2	125.0446	0.081	5	122.9745	2.858	691	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:3:	N[5a]-3:O-2:O-1:	C-3:	C[6a]-3:C-3:	C(N[5a]C[5a,6a]C[5a])(OC[6a])(O)	O(CN[5a]O)	O(C[6a]C[6a]2)(CN[5a]O)	C(N[5a]C[5a,6a]C[5a])(OC[6a])(O)	O(CN[5a]O)	O(C[6a]C[6a]2)(CN[5a]O)	125.3790	0.000	1	125.3790	0.000	1	126.2995	1.677	4	122.9745	2.858	691	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:3:	N[5a]-3:O-2:O-1:	C-3:	C[6a]-3:C-3:	C(N[5a]C[5a]N[5a])(OC[6a])(O)	O(CN[5a]O)	O(C[6a]C[6a]2)(CN[5a]O)	C(N[5a]C[5a]N[5a])(OC[6a])(O)	O(CN[5a]O)	O(C[6a]C[6a]2)(CN[5a]O)	126.6063	1.397	3	126.6063	1.951	3	126.2995	1.677	4	122.9745	2.858	691	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:3:	N[6,6]-3:O-2:O-1:	C-3:	C[6a]-3:C-3:	C(N[6,6]C[3x6]C[6,6])(OC[6a])(O)	O(CN[6,6]O)	O(C[6a]C[6a]2)(CN[6,6]O)	C(N[6,6]C[3x6]C[6,6])(OC[6a])(O)	O(CN[6,6]O)	O(C[6a]C[6a]2)(CN[6,6]O)	123.6753	0.620	3	123.6753	0.384	3	123.8064	0.795	5	122.9745	2.858	691	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:3:	N[6,6]-3:O-2:O-1:	C-3:	C[6a]-3:C-3:	C(N[6,6]C[5,3x6]C[6,6])(OC[6a])(O)	O(CN[6,6]O)	O(C[6a]C[6a]2)(CN[6,6]O)	C(N[6,6]C[5,3x6]C[6,6])(OC[6a])(O)	O(CN[6,6]O)	O(C[6a]C[6a]2)(CN[6,6]O)	124.0030	1.510	2	124.0030	2.281	2	123.8064	0.795	5	122.9745	2.858	691	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:3:	N[6]-3:O-2:O-1:	C-3:	C-3:C-3:	C(N[6]C[6]2)(OC)(O)	O(CN[6]O)	O(CC[6a]H)(CN[6]O)	C(N[6]C[6]2)(OC)(O)	O(CN[6]O)	O(CC[6a]H)(CN[6]O)	123.8710	0.000	1	123.8710	0.000	1	123.8710	0.000	1	122.9745	2.858	691	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:3:	N[6]-3:O-2:O-1:	C-3:	C[6a]-3:C-3:	C(N[6]C[3,4,6]C[6])(OC[6a])(O)	O(CN[6]O)	O(C[6a]C[6a]2)(CN[6]O)	C(N[6]C[3,4,6]C[6])(OC[6a])(O)	O(CN[6]O)	O(C[6a]C[6a]2)(CN[6]O)	122.5410	0.000	1	122.5410	0.000	1	124.5051	3.571	14	122.9745	2.858	691	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:3:	N[6]-3:O-2:O-1:	C-3:	C[6a]-3:C-3:	C(N[6]C[4,6,6]C[6])(OC[6a])(O)	O(CN[6]O)	O(C[6a]C[6a]2)(CN[6]O)	C(N[6]C[4,6,6]C[6])(OC[6a])(O)	O(CN[6]O)	O(C[6a]C[6a]2)(CN[6]O)	122.5060	0.742	2	122.5060	0.551	2	124.5051	3.571	14	122.9745	2.858	691	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:3:	N[6]-3:O-2:O-1:	C-3:	C[6a]-3:C-3:	C(N[6]C[4,6]C[6])(OC[6a])(O)	O(CN[6]O)	O(C[6a]C[6a]2)(CN[6]O)	C(N[6]C[4,6]C[6])(OC[6a])(O)	O(CN[6]O)	O(C[6a]C[6a]2)(CN[6]O)	124.0720	0.000	1	124.0720	0.000	1	124.5051	3.571	14	122.9745	2.858	691	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:3:	N[6]-3:O-2:O-1:	C-3:	C[6a]-3:C-3:	C(N[6]C[6,6a]C[6])(OC[6a])(O)	O(CN[6]O)	O(C[6a]C[6a]2)(CN[6]O)	C(N[6]C[6,6a]C[6])(OC[6a])(O)	O(CN[6]O)	O(C[6a]C[6a]2)(CN[6]O)	123.2720	0.000	1	123.2720	0.000	1	124.5051	3.571	14	122.9745	2.858	691	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:3:	N[6]-3:O-2:O-1:	C-3:	C[6a]-3:C-3:	C(N[6]C[6]2)(OC[6a])(O)	O(CN[6]O)	O(C[6a]C[6a]2)(CN[6]O)	C(N[6]C[6]2)(OC[6a])(O)	O(CN[6]O)	O(C[6a]C[6a]2)(CN[6]O)	124.7066	1.434	7	124.7066	2.057	7	124.5051	3.571	14	122.9745	2.858	691	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:3:	N[6]-3:O-2:O-1:	C-3:	C[6a]-3:C-3:	C(N[6]C[6]N[6])(OC[6a])(O)	O(CN[6]O)	O(C[6a]C[6a]2)(CN[6]O)	C(N[6]C[6]N[6])(OC[6a])(O)	O(CN[6]O)	O(C[6a]C[6a]2)(CN[6]O)	127.6145	0.588	2	127.6145	0.345	2	124.5051	3.571	14	122.9745	2.858	691	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:3:	P-3:O-2:O-1:	C-3:	B-3:C-3:	C(PCC)(OB)(O)	O(COP)	O(BNN)(COP)	C(PCC)(OB)(O)	O(COP)	O(BNN)(COP)	121.2530	0.000	1	121.2530	0.000	1	121.5117	0.065	3	122.9745	2.858	691	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:3:	P-3:O-2:O-1:	C-3:	B-3:C-3:	C(PC[6a]C)(OB)(O)	O(COP)	O(BNN)(COP)	C(PC[6a]C)(OB)(O)	O(COP)	O(BNN)(COP)	121.6410	0.173	2	121.6410	0.030	2	121.5117	0.065	3	122.9745	2.858	691	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:3:	P-3:O-2:O-1:	C-3:	C-3:P-3:	C(PCC)(OP)(O)	O(COP)	O(COP)(PNN)	C(PCC)(OP)(O)	O(COP)	O(COP)(PNN)	123.0220	0.000	1	123.0220	0.000	1	123.0220	0.000	1	122.9745	2.858	691	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	B[5a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(B[5a]N[5a]2)(OC)(O)	O(CB[5a]O)	O(CB[5a]O)(CC3)	C(B[5a]N[5a]2)(OC)(O)	O(CB[5a]O)	O(CB[5a]O)(CC3)	124.1370	0.000	2	124.1370	0.000	2	124.1370	0.000	2	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[3]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[3]C[3,5,6]2)(OC)(O)	O(CC[3]O)	O(CC[3]O)(CH3)	C(C[3]C[3,5,6]2)(OC)(O)	O(CC[3]O)	O(CC[3]O)(CH3)	123.4710	0.000	1	123.4710	0.000	1	123.4710	0.000	1	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[4]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[4]C[4,4]C[4])(OC)(O)	O(CC[4]O)	O(CC[4]O)(CCHH)	C(C[4]C[4,4]C[4])(OC)(O)	O(CC[4]O)	O(CC[4]O)(CCHH)	123.1950	0.000	1	123.1950	0.000	1	124.4974	0.787	28	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[4]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[4]C[4,5,6]C[4])(OC)(O)	O(CC[4]O)	O(CC[4]O)(CCHH)	C(C[4]C[4,5,6]C[4])(OC)(O)	O(CC[4]O)	O(CC[4]O)(CCHH)	123.1413	0.475	3	123.1413	0.226	3	124.4974	0.787	28	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[4]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[4]C[4,5,6]C[4])(OC)(O)	O(CC[4]O)	O(CC[4]O)(CH3)	C(C[4]C[4,5,6]C[4])(OC)(O)	O(CC[4]O)	O(CC[4]O)(CH3)	124.7611	0.536	14	124.7611	0.287	14	124.4974	0.787	28	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[4]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[4]C[4,5]C[4])(OC)(O)	O(CC[4]O)	O(CC[4]O)(CH3)	C(C[4]C[4,5]C[4])(OC)(O)	O(CC[4]O)	O(CC[4]O)(CH3)	125.1900	0.025	2	125.1900	0.001	2	124.4974	0.787	28	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[4]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[4]C[4]2)(OC)(O)	O(CC[4]O)	O(CC[4]O)(CCHH)	C(C[4]C[4]2)(OC)(O)	O(CC[4]O)	O(CC[4]O)(CCHH)	126.9610	0.000	1	126.9610	0.000	1	124.4974	0.787	28	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[4]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[4]C[4]2)(OC)(O)	O(CC[4]O)	O(CC[4]O)(CH3)	C(C[4]C[4]2)(OC)(O)	O(CC[4]O)	O(CC[4]O)(CH3)	124.1876	0.443	7	124.1876	0.196	7	124.4974	0.787	28	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[5,6]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,6]C[5,5,6,6]C[5,6])(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CH3)	C(C[5,6]C[5,5,6,6]C[5,6])(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CH3)	124.2960	0.124	2	124.2960	0.015	2	124.6240	1.309	25	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[5,6]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,6]C[5,5,6]C[5,6])(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CC3)	C(C[5,6]C[5,5,6]C[5,6])(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CC3)	126.5680	0.281	2	126.5680	0.079	2	124.6240	1.309	25	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[5,6]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,6]C[5,5,6]C[5,6])(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CCHH)	C(C[5,6]C[5,5,6]C[5,6])(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CCHH)	124.2943	1.258	6	124.2943	1.583	6	124.6240	1.309	25	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[5,6]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,6]C[5,5,6]C[5,6])(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CH3)	C(C[5,6]C[5,5,6]C[5,6])(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CH3)	124.5404	1.031	15	124.5404	1.063	15	124.6240	1.309	25	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[5]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[3,5,6]P[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]C[3,5,6]P[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	120.0510	0.000	1	120.0510	0.000	1	123.9432	2.425	556	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[5]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[3,5]C[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	C(C[5]C[3,5]C[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	122.3810	0.000	1	122.3810	0.000	1	123.9432	2.425	556	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[5]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[3,5]N[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	C(C[5]C[3,5]N[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	125.5360	0.000	1	125.5360	0.000	1	123.9432	2.425	556	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[5]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[3x5]C[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]C[3x5]C[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	122.7150	1.039	2	122.7150	1.080	2	123.9432	2.425	556	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[5]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[4,5,6]C[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	C(C[5]C[4,5,6]C[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	123.3920	0.000	1	123.3920	0.000	1	123.9432	2.425	556	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[5]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[4,5]C[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]C[4,5]C[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	123.8970	0.000	1	123.8970	0.000	1	123.9432	2.425	556	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[5]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,5,6,6]C[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	C(C[5]C[5,5,6,6]C[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	123.9320	0.000	1	123.9320	0.000	1	123.9432	2.425	556	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[5]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,5]2)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]C[5,5]2)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	123.5090	0.000	1	123.5090	0.000	1	123.9432	2.425	556	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[5]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,5]C[5,6])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]C[5,5]C[5,6])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	122.0160	0.479	2	122.0160	0.230	2	123.9432	2.425	556	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[5]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,5]C[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CC3)	C(C[5]C[5,5]C[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CC3)	125.8473	0.354	3	125.8473	0.125	3	123.9432	2.425	556	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[5]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,5]C[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	C(C[5]C[5,5]C[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	124.1841	0.886	25	124.1841	0.785	25	123.9432	2.425	556	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[5]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,5]C[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]C[5,5]C[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	123.6151	1.108	51	123.6151	1.228	51	123.9432	2.425	556	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[5]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,5]N[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	C(C[5]C[5,5]N[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	125.6590	1.204	3	125.6590	1.450	3	123.9432	2.425	556	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[5]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,5]N[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]C[5,5]N[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	125.3590	0.339	2	125.3590	0.115	2	123.9432	2.425	556	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[5]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,5]P[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	C(C[5]C[5,5]P[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	123.9480	0.325	2	123.9480	0.106	2	123.9432	2.425	556	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[5]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,5a]C[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]C[5,5a]C[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	123.0060	0.476	3	123.0060	0.227	3	123.9432	2.425	556	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[5]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,6,6]C[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]C[5,6,6]C[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	125.3185	0.005	2	125.3185	0.000	2	123.9432	2.425	556	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[5]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,6]C[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	C(C[5]C[5,6]C[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	122.7556	1.239	11	122.7556	1.536	11	123.9432	2.425	556	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[5]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,6]C[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]C[5,6]C[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	123.9435	1.129	22	123.9435	1.276	22	123.9432	2.425	556	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[5]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,6]N[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	C(C[5]C[5,6]N[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	124.9360	0.000	1	124.9360	0.000	1	123.9432	2.425	556	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[5]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,6a]C[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	C(C[5]C[5,6a]C[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	121.6820	0.000	1	121.6820	0.000	1	123.9432	2.425	556	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[5]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,6a]C[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]C[5,6a]C[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	129.5225	8.565	2	129.5225	73.362	2	123.9432	2.425	556	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[5]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,6a]N[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	C(C[5]C[5,6a]N[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	124.1750	0.499	2	124.1750	0.249	2	123.9432	2.425	556	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[5]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5]2)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CC3)	C(C[5]C[5]2)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CC3)	125.4017	0.961	4	125.4017	0.924	4	123.9432	2.425	556	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[5]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5]2)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCCH)	C(C[5]C[5]2)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCCH)	123.6220	0.000	1	123.6220	0.000	1	123.9432	2.425	556	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[5]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5]2)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	C(C[5]C[5]2)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	123.1616	1.420	114	123.1616	2.016	114	123.9432	2.425	556	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[5]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5]2)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]C[5]2)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	123.4863	1.381	136	123.4863	1.908	136	123.9432	2.425	556	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[5]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5]N[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CC3)	C(C[5]C[5]N[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CC3)	126.8863	0.226	3	126.8863	0.051	3	123.9432	2.425	556	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[5]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5]N[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	C(C[5]C[5]N[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	124.9849	1.192	31	124.9849	1.421	31	123.9432	2.425	556	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[5]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5]N[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]C[5]N[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	124.6359	1.115	30	124.6359	1.244	30	123.9432	2.425	556	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[5]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5]O[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	C(C[5]C[5]O[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	124.1750	0.000	1	124.1750	0.000	1	123.9432	2.425	556	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[5]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5]O[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]C[5]O[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	124.5626	0.699	8	124.5626	0.489	8	123.9432	2.425	556	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[5]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5]P[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	C(C[5]C[5]P[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	122.7285	0.047	2	122.7285	0.002	2	123.9432	2.425	556	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[5]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5]P[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]C[5]P[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	123.7309	1.760	13	123.7309	3.099	13	123.9432	2.425	556	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[5]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5]S[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CC3)	C(C[5]C[5]S[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CC3)	125.9420	0.000	1	125.9420	0.000	1	123.9432	2.425	556	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[5]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5]S[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	C(C[5]C[5]S[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	124.6012	0.560	5	124.6012	0.313	5	123.9432	2.425	556	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[5]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5]S[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]C[5]S[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	125.5459	0.715	36	125.5459	0.512	36	123.9432	2.425	556	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[5]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]Ge[5]C[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]Ge[5]C[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	126.1040	0.000	1	126.1040	0.000	1	123.9432	2.425	556	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[5]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]N[4,5]C[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CHHO)	C(C[5]N[4,5]C[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CHHO)	123.7600	0.000	1	123.7600	0.000	1	123.9432	2.425	556	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[5]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]N[5,5]C[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]N[5,5]C[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	126.5010	0.000	1	126.5010	0.000	1	123.9432	2.425	556	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[5]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]N[5,5a]C[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]N[5,5a]C[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	126.4740	0.000	1	126.4740	0.000	1	123.9432	2.425	556	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[5]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]N[5,6]C[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	C(C[5]N[5,6]C[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	125.8837	1.883	4	125.8837	3.547	4	123.9432	2.425	556	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[5]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]N[5,6]C[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]N[5,6]C[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	124.5662	0.629	4	124.5662	0.395	4	123.9432	2.425	556	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[5]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]N[5,6a]C[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	C(C[5]N[5,6a]C[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	124.0630	0.000	1	124.0630	0.000	1	123.9432	2.425	556	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[5]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]N[5]2)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	C(C[5]N[5]2)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	124.8544	0.794	7	124.8544	0.630	7	123.9432	2.425	556	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[5]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]N[5]P[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	C(C[5]N[5]P[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	126.1840	0.000	1	126.1840	0.000	1	123.9432	2.425	556	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[5]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]N[5]S[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	C(C[5]N[5]S[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	126.0230	0.515	2	126.0230	0.265	2	123.9432	2.425	556	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[5]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]P[4,5]C[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]P[4,5]C[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	121.3910	0.000	1	121.3910	0.000	1	123.9432	2.425	556	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[5]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]Se[5]C[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	C(C[5]Se[5]C[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	123.9330	0.000	1	123.9330	0.000	1	123.9432	2.425	556	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[5]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]Se[5]C[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]Se[5]C[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	124.6510	0.489	2	124.6510	0.239	2	123.9432	2.425	556	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[5]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]Si[5]C[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]Si[5]C[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	124.8670	0.260	3	124.8670	0.068	3	123.9432	2.425	556	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[5]-3:O-2:O-1:	C-3:	C-3:P-4:	C(C[5]N[5]2)(OP)(O)	O(CC[5]O)	O(CC[5]O)(PCCO)	C(C[5]N[5]2)(OP)(O)	O(CC[5]O)	O(CC[5]O)(PCCO)	123.5630	0.000	1	123.5630	0.000	1	123.5630	0.000	1	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[5]-3:O-2:O-1:	C-3:	C-3:Si-4:	C(C[5]N[5]2)(OSi)(O)	O(CC[5]O)	O(CC[5]O)(SiC3)	C(C[5]N[5]2)(OSi)(O)	O(CC[5]O)	O(CC[5]O)(SiC3)	126.6720	0.000	1	126.6720	0.000	1	126.6720	0.000	1	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[5a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[5a]C[5,5a,6]N[5a])(OC)(O)	O(CC[5a]O)	O(CC[5a]O)(CCHH)	C(C[5a]C[5,5a,6]N[5a])(OC)(O)	O(CC[5a]O)	O(CC[5a]O)(CCHH)	123.8055	0.042	2	123.8055	0.002	2	123.6358	1.207	1128	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[5a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[5a]C[5,5a]C[5a])(OC)(O)	O(CC[5a]O)	O(CC[5a]O)(CCHH)	C(C[5a]C[5,5a]C[5a])(OC)(O)	O(CC[5a]O)	O(CC[5a]O)(CCHH)	122.8187	0.537	4	122.8187	0.288	4	123.6358	1.207	1128	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[5a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[5a]C[5,5a]N[5a,6])(OC)(O)	O(CC[5a]O)	O(CC[5a]O)(CCHH)	C(C[5a]C[5,5a]N[5a,6])(OC)(O)	O(CC[5a]O)	O(CC[5a]O)(CCHH)	124.4137	0.653	3	124.4137	0.427	3	123.6358	1.207	1128	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[5a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[5a]C[5,5a]N[5a])(OC)(O)	O(CC[5a]O)	O(CC[5a]O)(CCHH)	C(C[5a]C[5,5a]N[5a])(OC)(O)	O(CC[5a]O)	O(CC[5a]O)(CCHH)	123.3930	0.000	1	123.3930	0.000	1	123.6358	1.207	1128	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[5a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[5a]C[5,5a]N[5a])(OC)(O)	O(CC[5a]O)	O(CC[5a]O)(CH3)	C(C[5a]C[5,5a]N[5a])(OC)(O)	O(CC[5a]O)	O(CC[5a]O)(CH3)	123.5680	0.000	2	123.5680	0.000	2	123.6358	1.207	1128	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[5a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[5a]C[5a,5a]C[5a])(OC)(O)	O(CC[5a]O)	O(CC[5a]O)(CCHH)	C(C[5a]C[5a,5a]C[5a])(OC)(O)	O(CC[5a]O)	O(CC[5a]O)(CCHH)	122.7520	0.000	1	122.7520	0.000	1	123.6358	1.207	1128	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[5a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[5a]C[5a,5a]C[5a])(OC)(O)	O(CC[5a]O)	O(CC[5a]O)(CH3)	C(C[5a]C[5a,5a]C[5a])(OC)(O)	O(CC[5a]O)	O(CC[5a]O)(CH3)	122.7005	0.733	2	122.7005	0.538	2	123.6358	1.207	1128	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[5a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[5a]C[5a,5a]N[5a])(OC)(O)	O(CC[5a]O)	O(CC[5a]O)(CCHH)	C(C[5a]C[5a,5a]N[5a])(OC)(O)	O(CC[5a]O)	O(CC[5a]O)(CCHH)	124.3810	0.000	2	124.3810	0.000	2	123.6358	1.207	1128	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[5a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[5a]C[5a,6]2)(OC)(O)	O(CC[5a]O)	O(CC[5a]O)(CC3)	C(C[5a]C[5a,6]2)(OC)(O)	O(CC[5a]O)	O(CC[5a]O)(CC3)	124.2460	0.000	1	124.2460	0.000	1	123.6358	1.207	1128	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[5a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[5a]C[5a,6]2)(OC)(O)	O(CC[5a]O)	O(CC[5a]O)(CCHH)	C(C[5a]C[5a,6]2)(OC)(O)	O(CC[5a]O)	O(CC[5a]O)(CCHH)	123.6540	0.768	2	123.6540	0.590	2	123.6358	1.207	1128	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[5a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[5a]C[5a,6]2)(OC)(O)	O(CC[5a]O)	O(CC[5a]O)(CH3)	C(C[5a]C[5a,6]2)(OC)(O)	O(CC[5a]O)	O(CC[5a]O)(CH3)	121.1000	0.154	3	121.1000	0.024	3	123.6358	1.207	1128	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[5a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[5a]C[5a,6]C[5a])(OC)(O)	O(CC[5a]O)	O(CC[5a]O)(CC3)	C(C[5a]C[5a,6]C[5a])(OC)(O)	O(CC[5a]O)	O(CC[5a]O)(CC3)	123.4940	0.273	2	123.4940	0.074	2	123.6358	1.207	1128	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[5a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[5a]C[5a,6]C[5a])(OC)(O)	O(CC[5a]O)	O(CC[5a]O)(CCHH)	C(C[5a]C[5a,6]C[5a])(OC)(O)	O(CC[5a]O)	O(CC[5a]O)(CCHH)	122.5120	0.663	8	122.5120	0.439	8	123.6358	1.207	1128	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[5a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[5a]C[5a,6]C[5a])(OC)(O)	O(CC[5a]O)	O(CC[5a]O)(CH3)	C(C[5a]C[5a,6]C[5a])(OC)(O)	O(CC[5a]O)	O(CC[5a]O)(CH3)	122.9876	0.826	12	122.9876	0.681	12	123.6358	1.207	1128	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[5a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[5a]C[5a,6]N[5a,6])(OC)(O)	O(CC[5a]O)	O(CC[5a]O)(CH3)	C(C[5a]C[5a,6]N[5a,6])(OC)(O)	O(CC[5a]O)	O(CC[5a]O)(CH3)	124.3380	0.000	1	124.3380	0.000	1	123.6358	1.207	1128	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[5a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[5a]C[5a,6]N[5a])(OC)(O)	O(CC[5a]O)	O(CC[5a]O)(CCHH)	C(C[5a]C[5a,6]N[5a])(OC)(O)	O(CC[5a]O)	O(CC[5a]O)(CCHH)	124.0901	0.649	15	124.0901	0.421	15	123.6358	1.207	1128	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[5a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[5a]C[5a,6]N[5a])(OC)(O)	O(CC[5a]O)	O(CC[5a]O)(CH3)	C(C[5a]C[5a,6]N[5a])(OC)(O)	O(CC[5a]O)	O(CC[5a]O)(CH3)	123.9323	0.480	3	123.9323	0.231	3	123.6358	1.207	1128	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[5a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[5a]C[5a,6]S[5a])(OC)(O)	O(CC[5a]O)	O(CC[5a]O)(CCHH)	C(C[5a]C[5a,6]S[5a])(OC)(O)	O(CC[5a]O)	O(CC[5a]O)(CCHH)	124.6410	0.000	1	124.6410	0.000	1	123.6358	1.207	1128	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[5a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[5a]C[5a,6a]2)(OC)(O)	O(CC[5a]O)	O(CC[5a]O)(CCHH)	C(C[5a]C[5a,6a]2)(OC)(O)	O(CC[5a]O)	O(CC[5a]O)(CCHH)	122.4335	0.974	2	122.4335	0.948	2	123.6358	1.207	1128	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[5a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[5a]C[5a,6a]C[5,5a])(OC)(O)	O(CC[5a]O)	O(CC[5a]O)(CCHH)	C(C[5a]C[5a,6a]C[5,5a])(OC)(O)	O(CC[5a]O)	O(CC[5a]O)(CCHH)	123.5765	0.640	2	123.5765	0.410	2	123.6358	1.207	1128	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[5a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[5a]C[5a,6a]C[5,5a])(OC)(O)	O(CC[5a]O)	O(CC[5a]O)(CH3)	C(C[5a]C[5a,6a]C[5,5a])(OC)(O)	O(CC[5a]O)	O(CC[5a]O)(CH3)	123.6990	0.000	1	123.6990	0.000	1	123.6358	1.207	1128	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[5a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[5a]C[5a,6a]C[5a])(OC)(O)	O(CC[5a]O)	O(CC[5a]O)(CCHH)	C(C[5a]C[5a,6a]C[5a])(OC)(O)	O(CC[5a]O)	O(CC[5a]O)(CCHH)	122.8098	0.893	63	122.8098	0.797	63	123.6358	1.207	1128	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[5a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[5a]C[5a,6a]C[5a])(OC)(O)	O(CC[5a]O)	O(CC[5a]O)(CH3)	C(C[5a]C[5a,6a]C[5a])(OC)(O)	O(CC[5a]O)	O(CC[5a]O)(CH3)	122.9014	0.938	47	122.9014	0.880	47	123.6358	1.207	1128	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[5a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[5a]C[5a,6a]N[5a,6a])(OC)(O)	O(CC[5a]O)	O(CC[5a]O)(CCHH)	C(C[5a]C[5a,6a]N[5a,6a])(OC)(O)	O(CC[5a]O)	O(CC[5a]O)(CCHH)	123.4100	0.000	1	123.4100	0.000	1	123.6358	1.207	1128	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[5a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[5a]C[5a,6a]N[5a])(OC)(O)	O(CC[5a]O)	O(CC[5a]O)(CC3)	C(C[5a]C[5a,6a]N[5a])(OC)(O)	O(CC[5a]O)	O(CC[5a]O)(CC3)	124.5535	0.646	2	124.5535	0.417	2	123.6358	1.207	1128	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[5a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[5a]C[5a,6a]N[5a])(OC)(O)	O(CC[5a]O)	O(CC[5a]O)(CCHH)	C(C[5a]C[5a,6a]N[5a])(OC)(O)	O(CC[5a]O)	O(CC[5a]O)(CCHH)	124.6944	1.764	8	124.6944	3.113	8	123.6358	1.207	1128	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[5a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[5a]C[5a,6a]N[5a])(OC)(O)	O(CC[5a]O)	O(CC[5a]O)(CH3)	C(C[5a]C[5a,6a]N[5a])(OC)(O)	O(CC[5a]O)	O(CC[5a]O)(CH3)	123.0830	0.000	1	123.0830	0.000	1	123.6358	1.207	1128	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[5a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[5a]C[5a]2)(OC)(O)	O(CC[5a]O)	O(CC[5a]O)(CC3)	C(C[5a]C[5a]2)(OC)(O)	O(CC[5a]O)	O(CC[5a]O)(CC3)	124.4692	0.968	6	124.4692	0.938	6	123.6358	1.207	1128	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[5a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[5a]C[5a]2)(OC)(O)	O(CC[5a]O)	O(CC[5a]O)(CCCH)	C(C[5a]C[5a]2)(OC)(O)	O(CC[5a]O)	O(CC[5a]O)(CCCH)	122.5580	0.000	1	122.5580	0.000	1	123.6358	1.207	1128	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[5a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[5a]C[5a]2)(OC)(O)	O(CC[5a]O)	O(CC[5a]O)(CCHH)	C(C[5a]C[5a]2)(OC)(O)	O(CC[5a]O)	O(CC[5a]O)(CCHH)	123.1812	1.032	189	123.1812	1.066	189	123.6358	1.207	1128	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[5a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[5a]C[5a]2)(OC)(O)	O(CC[5a]O)	O(CC[5a]O)(CH3)	C(C[5a]C[5a]2)(OC)(O)	O(CC[5a]O)	O(CC[5a]O)(CH3)	123.3273	1.016	144	123.3273	1.032	144	123.6358	1.207	1128	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[5a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[5a]C[5a]N[5a])(OC)(O)	O(CC[5a]O)	O(CC[5a]O)(CC3)	C(C[5a]C[5a]N[5a])(OC)(O)	O(CC[5a]O)	O(CC[5a]O)(CC3)	124.8590	1.262	9	124.8590	1.592	9	123.6358	1.207	1128	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[5a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[5a]C[5a]N[5a])(OC)(O)	O(CC[5a]O)	O(CC[5a]O)(CCCH)	C(C[5a]C[5a]N[5a])(OC)(O)	O(CC[5a]O)	O(CC[5a]O)(CCCH)	126.1060	0.000	1	126.1060	0.000	1	123.6358	1.207	1128	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[5a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[5a]C[5a]N[5a])(OC)(O)	O(CC[5a]O)	O(CC[5a]O)(CCHH)	C(C[5a]C[5a]N[5a])(OC)(O)	O(CC[5a]O)	O(CC[5a]O)(CCHH)	123.8719	0.934	242	123.8719	0.872	242	123.6358	1.207	1128	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[5a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[5a]C[5a]N[5a])(OC)(O)	O(CC[5a]O)	O(CC[5a]O)(CH3)	C(C[5a]C[5a]N[5a])(OC)(O)	O(CC[5a]O)	O(CC[5a]O)(CH3)	123.9575	0.974	173	123.9575	0.948	173	123.6358	1.207	1128	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[5a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[5a]C[5a]O[5a])(OC)(O)	O(CC[5a]O)	O(CC[5a]O)(CCCH)	C(C[5a]C[5a]O[5a])(OC)(O)	O(CC[5a]O)	O(CC[5a]O)(CCCH)	125.0305	0.094	2	125.0305	0.009	2	123.6358	1.207	1128	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[5a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[5a]C[5a]O[5a])(OC)(O)	O(CC[5a]O)	O(CC[5a]O)(CCHH)	C(C[5a]C[5a]O[5a])(OC)(O)	O(CC[5a]O)	O(CC[5a]O)(CCHH)	124.9549	1.365	15	124.9549	1.862	15	123.6358	1.207	1128	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[5a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[5a]C[5a]O[5a])(OC)(O)	O(CC[5a]O)	O(CC[5a]O)(CH3)	C(C[5a]C[5a]O[5a])(OC)(O)	O(CC[5a]O)	O(CC[5a]O)(CH3)	124.9446	0.806	23	124.9446	0.649	23	123.6358	1.207	1128	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[5a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[5a]C[5a]S[5a])(OC)(O)	O(CC[5a]O)	O(CC[5a]O)(CCHH)	C(C[5a]C[5a]S[5a])(OC)(O)	O(CC[5a]O)	O(CC[5a]O)(CCHH)	123.8630	0.950	58	123.8630	0.902	58	123.6358	1.207	1128	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[5a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[5a]C[5a]S[5a])(OC)(O)	O(CC[5a]O)	O(CC[5a]O)(CH3)	C(C[5a]C[5a]S[5a])(OC)(O)	O(CC[5a]O)	O(CC[5a]O)(CH3)	123.9836	0.728	34	123.9836	0.530	34	123.6358	1.207	1128	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[5a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[5a]N[5,5a]C[5a])(OC)(O)	O(CC[5a]O)	O(CC[5a]O)(CH3)	C(C[5a]N[5,5a]C[5a])(OC)(O)	O(CC[5a]O)	O(CC[5a]O)(CH3)	124.6830	0.000	1	124.6830	0.000	1	123.6358	1.207	1128	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[5a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[5a]N[5a,5a]C[5a])(OC)(O)	O(CC[5a]O)	O(CC[5a]O)(CH3)	C(C[5a]N[5a,5a]C[5a])(OC)(O)	O(CC[5a]O)	O(CC[5a]O)(CH3)	123.7595	0.630	2	123.7595	0.397	2	123.6358	1.207	1128	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[5a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[5a]N[5a,5a]N[5a])(OC)(O)	O(CC[5a]O)	O(CC[5a]O)(CCHH)	C(C[5a]N[5a,5a]N[5a])(OC)(O)	O(CC[5a]O)	O(CC[5a]O)(CCHH)	127.0900	0.000	1	127.0900	0.000	1	123.6358	1.207	1128	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[5a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[5a]N[5a,6]C[5a])(OC)(O)	O(CC[5a]O)	O(CC[5a]O)(CCHH)	C(C[5a]N[5a,6]C[5a])(OC)(O)	O(CC[5a]O)	O(CC[5a]O)(CCHH)	122.9727	0.325	3	122.9727	0.105	3	123.6358	1.207	1128	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[5a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[5a]N[5a,6]C[5a])(OC)(O)	O(CC[5a]O)	O(CC[5a]O)(CH3)	C(C[5a]N[5a,6]C[5a])(OC)(O)	O(CC[5a]O)	O(CC[5a]O)(CH3)	123.2242	0.200	6	123.2242	0.040	6	123.6358	1.207	1128	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[5a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[5a]N[5a,6a]C[5a])(OC)(O)	O(CC[5a]O)	O(CC[5a]O)(CCHH)	C(C[5a]N[5a,6a]C[5a])(OC)(O)	O(CC[5a]O)	O(CC[5a]O)(CCHH)	123.1576	0.686	7	123.1576	0.470	7	123.6358	1.207	1128	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[5a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[5a]N[5a,6a]C[5a])(OC)(O)	O(CC[5a]O)	O(CC[5a]O)(CH3)	C(C[5a]N[5a,6a]C[5a])(OC)(O)	O(CC[5a]O)	O(CC[5a]O)(CH3)	123.8619	0.862	7	123.8619	0.742	7	123.6358	1.207	1128	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[5a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[5a]N[5a]2)(OC)(O)	O(CC[5a]O)	O(CC[5a]O)(CCHH)	C(C[5a]N[5a]2)(OC)(O)	O(CC[5a]O)	O(CC[5a]O)(CCHH)	125.5132	0.495	6	125.5132	0.245	6	123.6358	1.207	1128	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[5a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[5a]N[5a]2)(OC)(O)	O(CC[5a]O)	O(CC[5a]O)(CH3)	C(C[5a]N[5a]2)(OC)(O)	O(CC[5a]O)	O(CC[5a]O)(CH3)	124.9253	0.670	4	124.9253	0.449	4	123.6358	1.207	1128	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[5a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[5a]N[5a]O[5a])(OC)(O)	O(CC[5a]O)	O(CC[5a]O)(CCHH)	C(C[5a]N[5a]O[5a])(OC)(O)	O(CC[5a]O)	O(CC[5a]O)(CCHH)	125.5585	0.146	2	125.5585	0.021	2	123.6358	1.207	1128	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[5a]-3:O-2:O-1:	C-3:	C-3:P-4:	C(C[5a]C[5a]N[5a])(OP)(O)	O(CC[5a]O)	O(CC[5a]O)(PCCO)	C(C[5a]C[5a]N[5a])(OP)(O)	O(CC[5a]O)	O(CC[5a]O)(PCCO)	123.2055	1.047	2	123.2055	1.097	2	123.2055	1.097	2	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[6,6]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[6,6]B[3x6]C[6,6])(OC)(O)	O(CC[6,6]O)	O(CC[6,6]O)(CH3)	C(C[6,6]B[3x6]C[6,6])(OC)(O)	O(CC[6,6]O)	O(CC[6,6]O)(CH3)	123.3550	0.000	1	123.3550	0.000	1	124.2722	0.720	44	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[6,6]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[6,6]C[3x6]C[6,6])(OC)(O)	O(CC[6,6]O)	O(CC[6,6]O)(CCCH)	C(C[6,6]C[3x6]C[6,6])(OC)(O)	O(CC[6,6]O)	O(CC[6,6]O)(CCCH)	124.6540	0.000	1	124.6540	0.000	1	124.2722	0.720	44	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[6,6]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[6,6]C[3x6]C[6,6])(OC)(O)	O(CC[6,6]O)	O(CC[6,6]O)(CCHH)	C(C[6,6]C[3x6]C[6,6])(OC)(O)	O(CC[6,6]O)	O(CC[6,6]O)(CCHH)	123.2020	0.730	2	123.2020	0.533	2	124.2722	0.720	44	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[6,6]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[6,6]C[3x6]C[6,6])(OC)(O)	O(CC[6,6]O)	O(CC[6,6]O)(CH3)	C(C[6,6]C[3x6]C[6,6])(OC)(O)	O(CC[6,6]O)	O(CC[6,6]O)(CH3)	124.3014	0.818	35	124.3014	0.670	35	124.2722	0.720	44	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[6,6]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[6,6]C[5,4x6]C[6,6])(OC)(O)	O(CC[6,6]O)	O(CC[6,6]O)(CH3)	C(C[6,6]C[5,4x6]C[6,6])(OC)(O)	O(CC[6,6]O)	O(CC[6,6]O)(CH3)	124.0240	0.000	1	124.0240	0.000	1	124.2722	0.720	44	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[6,6]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[6,6]C[5,6,6]C[3x6])(OC)(O)	O(CC[6,6]O)	O(CC[6,6]O)(CH3)	C(C[6,6]C[5,6,6]C[3x6])(OC)(O)	O(CC[6,6]O)	O(CC[6,6]O)(CH3)	123.2190	0.000	1	123.2190	0.000	1	124.2722	0.720	44	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[6,6]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[6,6]C[6,6]P[3x6])(OC)(O)	O(CC[6,6]O)	O(CC[6,6]O)(CH3)	C(C[6,6]C[6,6]P[3x6])(OC)(O)	O(CC[6,6]O)	O(CC[6,6]O)(CH3)	125.2573	0.378	3	125.2573	0.143	3	124.2722	0.720	44	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[6]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]As[6]C[6])(OC)(O)	O(CC[6]O)	O(CC[6]O)(CC3)	C(C[6]As[6]C[6])(OC)(O)	O(CC[6]O)	O(CC[6]O)(CC3)	126.6095	0.871	30	126.6095	0.758	30	123.2969	2.817	1243	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[6]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]As[6]C[6])(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	C(C[6]As[6]C[6])(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	124.8226	0.522	11	124.8226	0.273	11	123.2969	2.817	1243	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[6]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[5,6,6]C[6])(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	C(C[6]C[5,6,6]C[6])(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	123.8750	1.079	6	123.8750	1.164	6	123.2969	2.817	1243	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[6]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[5,6]C[6,6])(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	C(C[6]C[5,6]C[6,6])(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	121.8003	0.724	13	121.8003	0.524	13	123.2969	2.817	1243	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[6]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[5,6]C[6])(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	C(C[6]C[5,6]C[6])(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	123.4577	1.378	17	123.4577	1.899	17	123.2969	2.817	1243	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[6]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[5,6]C[6])(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	C(C[6]C[5,6]C[6])(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	122.6405	1.148	39	122.6405	1.317	39	123.2969	2.817	1243	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[6]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[5,6]N[6])(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	C(C[6]C[5,6]N[6])(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	124.4520	0.000	1	124.4520	0.000	1	123.2969	2.817	1243	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[6]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[5a,6]C[6])(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	C(C[6]C[5a,6]C[6])(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	122.3960	2.014	6	122.3960	4.055	6	123.2969	2.817	1243	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[6]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[5a,6]C[6])(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	C(C[6]C[5a,6]C[6])(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	124.0160	0.000	1	124.0160	0.000	1	123.2969	2.817	1243	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[6]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[6,6]C[6])(OC)(O)	O(CC[6]O)	O(CC[6]O)(CC3)	C(C[6]C[6,6]C[6])(OC)(O)	O(CC[6]O)	O(CC[6]O)(CC3)	123.8550	0.570	3	123.8550	0.324	3	123.2969	2.817	1243	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[6]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[6,6]C[6])(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	C(C[6]C[6,6]C[6])(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	122.8896	1.113	14	122.8896	1.238	14	123.2969	2.817	1243	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[6]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[6,6]C[6])(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	C(C[6]C[6,6]C[6])(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	122.7308	1.495	22	122.7308	2.234	22	123.2969	2.817	1243	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[6]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[6,6]N[6])(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	C(C[6]C[6,6]N[6])(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	122.8550	0.245	2	122.8550	0.060	2	123.2969	2.817	1243	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[6]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[6,6]O[6])(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	C(C[6]C[6,6]O[6])(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	123.0370	0.000	1	123.0370	0.000	1	123.2969	2.817	1243	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[6]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[6,6a]C[5,6])(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	C(C[6]C[6,6a]C[5,6])(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	123.8570	0.386	2	123.8570	0.149	2	123.2969	2.817	1243	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[6]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[6,6a]C[6])(OC)(O)	O(CC[6]O)	O(CC[6]O)(CC3)	C(C[6]C[6,6a]C[6])(OC)(O)	O(CC[6]O)	O(CC[6]O)(CC3)	122.4160	0.000	1	122.4160	0.000	1	123.2969	2.817	1243	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[6]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[6,6a]C[6])(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	C(C[6]C[6,6a]C[6])(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	124.2644	1.240	12	124.2644	1.537	12	123.2969	2.817	1243	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[6]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[6,6a]C[6])(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	C(C[6]C[6,6a]C[6])(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	123.2351	0.883	10	123.2351	0.780	10	123.2969	2.817	1243	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[6]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[6,6a]N[6])(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	C(C[6]C[6,6a]N[6])(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	124.7310	0.000	1	124.7310	0.000	1	123.2969	2.817	1243	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[6]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[6]2)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CC3)	C(C[6]C[6]2)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CC3)	124.4955	1.679	19	124.4955	2.818	19	123.2969	2.817	1243	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[6]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[6]2)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCCH)	C(C[6]C[6]2)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCCH)	123.6587	1.364	22	123.6587	1.861	22	123.2969	2.817	1243	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[6]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[6]2)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	C(C[6]C[6]2)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	122.8880	1.438	471	122.8880	2.069	471	123.2969	2.817	1243	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[6]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[6]2)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	C(C[6]C[6]2)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	122.9851	1.633	402	122.9851	2.667	402	123.2969	2.817	1243	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[6]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[6]N[6])(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCCH)	C(C[6]C[6]N[6])(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCCH)	127.9210	0.000	1	127.9210	0.000	1	123.2969	2.817	1243	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[6]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[6]N[6])(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	C(C[6]C[6]N[6])(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	125.1785	1.330	27	125.1785	1.769	27	123.2969	2.817	1243	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[6]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[6]N[6])(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	C(C[6]C[6]N[6])(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	124.8659	1.284	58	124.8659	1.649	58	123.2969	2.817	1243	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[6]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[6]O[6])(OC)(O)	O(CC[6]O)	O(CC[6]O)(CC3)	C(C[6]C[6]O[6])(OC)(O)	O(CC[6]O)	O(CC[6]O)(CC3)	125.9140	0.445	2	125.9140	0.198	2	123.2969	2.817	1243	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[6]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[6]O[6])(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	C(C[6]C[6]O[6])(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	124.7280	1.032	8	124.7280	1.064	8	123.2969	2.817	1243	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[6]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[6]O[6])(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	C(C[6]C[6]O[6])(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	124.6023	0.649	16	124.6023	0.421	16	123.2969	2.817	1243	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[6]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[6]S[6])(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	C(C[6]C[6]S[6])(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	122.9973	1.283	3	122.9973	1.647	3	123.2969	2.817	1243	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[6]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[6]S[6])(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	C(C[6]C[6]S[6])(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	124.2835	0.895	8	124.2835	0.802	8	123.2969	2.817	1243	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[6]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]N[3x6]C[6])(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	C(C[6]N[3x6]C[6])(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	125.6250	0.000	1	125.6250	0.000	1	123.2969	2.817	1243	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[6]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]N[5,6]C[6])(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	C(C[6]N[5,6]C[6])(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	126.4570	0.173	2	126.4570	0.030	2	123.2969	2.817	1243	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[6]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]N[5,6]C[6])(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	C(C[6]N[5,6]C[6])(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	123.5900	0.000	1	123.5900	0.000	1	123.2969	2.817	1243	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[6]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]N[5a,6]C[6])(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	C(C[6]N[5a,6]C[6])(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	124.8180	0.000	1	124.8180	0.000	1	123.2969	2.817	1243	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[6]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]N[6,6]C[6])(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	C(C[6]N[6,6]C[6])(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	125.8330	0.417	2	125.8330	0.174	2	123.2969	2.817	1243	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[6]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]N[6]2)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	C(C[6]N[6]2)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	126.6290	0.000	1	126.6290	0.000	1	123.2969	2.817	1243	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[6]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]N[6]2)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	C(C[6]N[6]2)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	123.7075	0.095	2	123.7075	0.009	2	123.2969	2.817	1243	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[6]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]N[6]O[6])(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	C(C[6]N[6]O[6])(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	125.7995	0.138	2	125.7995	0.019	2	123.2969	2.817	1243	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[6]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]Si[6]C[6])(OC)(O)	O(CC[6]O)	O(CC[6]O)(CC3)	C(C[6]Si[6]C[6])(OC)(O)	O(CC[6]O)	O(CC[6]O)(CC3)	125.5670	0.000	1	125.5670	0.000	1	123.2969	2.817	1243	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[6]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]Si[6]C[6])(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	C(C[6]Si[6]C[6])(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	123.7120	0.000	1	123.7120	0.000	1	123.2969	2.817	1243	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[6a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[6a]B[6a]C[6a])(OC)(O)	O(CC[6a]O)	O(CC[6a]O)(CH3)	C(C[6a]B[6a]C[6a])(OC)(O)	O(CC[6a]O)	O(CC[6a]O)(CH3)	121.4120	0.000	1	121.4120	0.000	1	123.4952	1.581	3153	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[6a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[6a]C[5,6a]2)(OC)(O)	O(CC[6a]O)	O(CC[6a]O)(CH3)	C(C[6a]C[5,6a]2)(OC)(O)	O(CC[6a]O)	O(CC[6a]O)(CH3)	123.4400	0.000	1	123.4400	0.000	1	123.4952	1.581	3153	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[6a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[6a]C[5,6a]C[6,6a])(OC)(O)	O(CC[6a]O)	O(CC[6a]O)(CH3)	C(C[6a]C[5,6a]C[6,6a])(OC)(O)	O(CC[6a]O)	O(CC[6a]O)(CH3)	121.4880	0.000	1	121.4880	0.000	1	123.4952	1.581	3153	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[6a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[6a]C[5,6a]C[6a])(OC)(O)	O(CC[6a]O)	O(CC[6a]O)(CC3)	C(C[6a]C[5,6a]C[6a])(OC)(O)	O(CC[6a]O)	O(CC[6a]O)(CC3)	124.1130	0.000	1	124.1130	0.000	1	123.4952	1.581	3153	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[6a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[6a]C[5,6a]C[6a])(OC)(O)	O(CC[6a]O)	O(CC[6a]O)(CCHH)	C(C[6a]C[5,6a]C[6a])(OC)(O)	O(CC[6a]O)	O(CC[6a]O)(CCHH)	124.0827	1.269	7	124.0827	1.609	7	123.4952	1.581	3153	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[6a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[6a]C[5,6a]C[6a])(OC)(O)	O(CC[6a]O)	O(CC[6a]O)(CH3)	C(C[6a]C[5,6a]C[6a])(OC)(O)	O(CC[6a]O)	O(CC[6a]O)(CH3)	123.2572	1.318	21	123.2572	1.737	21	123.4952	1.581	3153	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[6a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[6a]C[5,6a]N[6a])(OC)(O)	O(CC[6a]O)	O(CC[6a]O)(CCHH)	C(C[6a]C[5,6a]N[6a])(OC)(O)	O(CC[6a]O)	O(CC[6a]O)(CCHH)	123.5445	0.298	2	123.5445	0.089	2	123.4952	1.581	3153	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[6a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[6a]C[5,6a]N[6a])(OC)(O)	O(CC[6a]O)	O(CC[6a]O)(CH3)	C(C[6a]C[5,6a]N[6a])(OC)(O)	O(CC[6a]O)	O(CC[6a]O)(CH3)	123.9846	0.831	5	123.9846	0.691	5	123.4952	1.581	3153	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[6a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[6a]C[5a,6a]2)(OC)(O)	O(CC[6a]O)	O(CC[6a]O)(CCHH)	C(C[6a]C[5a,6a]2)(OC)(O)	O(CC[6a]O)	O(CC[6a]O)(CCHH)	123.3200	0.830	2	123.3200	0.689	2	123.4952	1.581	3153	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[6a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[6a]C[5a,6a]C[6a,6a])(OC)(O)	O(CC[6a]O)	O(CC[6a]O)(CCHH)	C(C[6a]C[5a,6a]C[6a,6a])(OC)(O)	O(CC[6a]O)	O(CC[6a]O)(CCHH)	122.0040	0.000	1	122.0040	0.000	1	123.4952	1.581	3153	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[6a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[6a]C[5a,6a]C[6a])(OC)(O)	O(CC[6a]O)	O(CC[6a]O)(CC3)	C(C[6a]C[5a,6a]C[6a])(OC)(O)	O(CC[6a]O)	O(CC[6a]O)(CC3)	124.4480	0.000	1	124.4480	0.000	1	123.4952	1.581	3153	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[6a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[6a]C[5a,6a]C[6a])(OC)(O)	O(CC[6a]O)	O(CC[6a]O)(CCHH)	C(C[6a]C[5a,6a]C[6a])(OC)(O)	O(CC[6a]O)	O(CC[6a]O)(CCHH)	121.8727	2.695	9	121.8727	7.262	9	123.4952	1.581	3153	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[6a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[6a]C[5a,6a]C[6a])(OC)(O)	O(CC[6a]O)	O(CC[6a]O)(CCHO)	C(C[6a]C[5a,6a]C[6a])(OC)(O)	O(CC[6a]O)	O(CC[6a]O)(CCHO)	123.3890	0.000	1	123.3890	0.000	1	123.4952	1.581	3153	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[6a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[6a]C[5a,6a]C[6a])(OC)(O)	O(CC[6a]O)	O(CC[6a]O)(CH3)	C(C[6a]C[5a,6a]C[6a])(OC)(O)	O(CC[6a]O)	O(CC[6a]O)(CH3)	122.8838	0.837	20	122.8838	0.701	20	123.4952	1.581	3153	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[6a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[6a]C[6,6,6a]C[6a,6a])(OC)(O)	O(CC[6a]O)	O(CC[6a]O)(CH3)	C(C[6a]C[6,6,6a]C[6a,6a])(OC)(O)	O(CC[6a]O)	O(CC[6a]O)(CH3)	123.0180	0.000	1	123.0180	0.000	1	123.4952	1.581	3153	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[6a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[6a]C[6,6a]2)(OC)(O)	O(CC[6a]O)	O(CC[6a]O)(CH3)	C(C[6a]C[6,6a]2)(OC)(O)	O(CC[6a]O)	O(CC[6a]O)(CH3)	121.6975	0.111	2	121.6975	0.012	2	123.4952	1.581	3153	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[6a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[6a]C[6,6a]C[6a])(OC)(O)	O(CC[6a]O)	O(CC[6a]O)(CC3)	C(C[6a]C[6,6a]C[6a])(OC)(O)	O(CC[6a]O)	O(CC[6a]O)(CC3)	126.3345	0.377	2	126.3345	0.142	2	123.4952	1.581	3153	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[6a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[6a]C[6,6a]C[6a])(OC)(O)	O(CC[6a]O)	O(CC[6a]O)(CCHH)	C(C[6a]C[6,6a]C[6a])(OC)(O)	O(CC[6a]O)	O(CC[6a]O)(CCHH)	122.7030	1.436	4	122.7030	2.062	4	123.4952	1.581	3153	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[6a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[6a]C[6,6a]C[6a])(OC)(O)	O(CC[6a]O)	O(CC[6a]O)(CH3)	C(C[6a]C[6,6a]C[6a])(OC)(O)	O(CC[6a]O)	O(CC[6a]O)(CH3)	123.2989	1.706	21	123.2989	2.909	21	123.4952	1.581	3153	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[6a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[6a]C[6,6a]N[6a])(OC)(O)	O(CC[6a]O)	O(CC[6a]O)(CCHH)	C(C[6a]C[6,6a]N[6a])(OC)(O)	O(CC[6a]O)	O(CC[6a]O)(CCHH)	125.1550	0.000	1	125.1550	0.000	1	123.4952	1.581	3153	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[6a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[6a]C[6a,6a]2)(OC)(O)	O(CC[6a]O)	O(CC[6a]O)(CC3)	C(C[6a]C[6a,6a]2)(OC)(O)	O(CC[6a]O)	O(CC[6a]O)(CC3)	125.9818	0.630	4	125.9818	0.397	4	123.4952	1.581	3153	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[6a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[6a]C[6a,6a]2)(OC)(O)	O(CC[6a]O)	O(CC[6a]O)(CCCH)	C(C[6a]C[6a,6a]2)(OC)(O)	O(CC[6a]O)	O(CC[6a]O)(CCCH)	123.8050	0.970	4	123.8050	0.941	4	123.4952	1.581	3153	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[6a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[6a]C[6a,6a]2)(OC)(O)	O(CC[6a]O)	O(CC[6a]O)(CCHH)	C(C[6a]C[6a,6a]2)(OC)(O)	O(CC[6a]O)	O(CC[6a]O)(CCHH)	123.7871	0.823	10	123.7871	0.677	10	123.4952	1.581	3153	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[6a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[6a]C[6a,6a]2)(OC)(O)	O(CC[6a]O)	O(CC[6a]O)(CH3)	C(C[6a]C[6a,6a]2)(OC)(O)	O(CC[6a]O)	O(CC[6a]O)(CH3)	123.9808	1.268	8	123.9808	1.607	8	123.4952	1.581	3153	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[6a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[6a]C[6a,6a]2)(OC)(O)	O(CC[6a]O)	O(CC[6a]O)(CHHO)	C(C[6a]C[6a,6a]2)(OC)(O)	O(CC[6a]O)	O(CC[6a]O)(CHHO)	123.0710	0.066	2	123.0710	0.004	2	123.4952	1.581	3153	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[6a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[6a]C[6a,6a]C[5,6a])(OC)(O)	O(CC[6a]O)	O(CC[6a]O)(CCHH)	C(C[6a]C[6a,6a]C[5,6a])(OC)(O)	O(CC[6a]O)	O(CC[6a]O)(CCHH)	124.3250	1.076	5	124.3250	1.159	5	123.4952	1.581	3153	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[6a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[6a]C[6a,6a]C[5,6a])(OC)(O)	O(CC[6a]O)	O(CC[6a]O)(CH3)	C(C[6a]C[6a,6a]C[5,6a])(OC)(O)	O(CC[6a]O)	O(CC[6a]O)(CH3)	123.2150	0.000	1	123.2150	0.000	1	123.4952	1.581	3153	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[6a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[6a]C[6a,6a]C[6,6a])(OC)(O)	O(CC[6a]O)	O(CC[6a]O)(CH3)	C(C[6a]C[6a,6a]C[6,6a])(OC)(O)	O(CC[6a]O)	O(CC[6a]O)(CH3)	125.8130	0.953	2	125.8130	0.909	2	123.4952	1.581	3153	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[6a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[6a]C[6a,6a]C[6a])(OC)(O)	O(CC[6a]O)	O(CC[6a]O)(CC3)	C(C[6a]C[6a,6a]C[6a])(OC)(O)	O(CC[6a]O)	O(CC[6a]O)(CC3)	125.0567	1.513	6	125.0567	2.288	6	123.4952	1.581	3153	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[6a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[6a]C[6a,6a]C[6a])(OC)(O)	O(CC[6a]O)	O(CC[6a]O)(CCCH)	C(C[6a]C[6a,6a]C[6a])(OC)(O)	O(CC[6a]O)	O(CC[6a]O)(CCCH)	123.9304	0.771	5	123.9304	0.595	5	123.4952	1.581	3153	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[6a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[6a]C[6a,6a]C[6a])(OC)(O)	O(CC[6a]O)	O(CC[6a]O)(CCHH)	C(C[6a]C[6a,6a]C[6a])(OC)(O)	O(CC[6a]O)	O(CC[6a]O)(CCHH)	123.3974	1.633	77	123.3974	2.666	77	123.4952	1.581	3153	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[6a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[6a]C[6a,6a]C[6a])(OC)(O)	O(CC[6a]O)	O(CC[6a]O)(CH3)	C(C[6a]C[6a,6a]C[6a])(OC)(O)	O(CC[6a]O)	O(CC[6a]O)(CH3)	122.9973	1.304	42	122.9973	1.699	42	123.4952	1.581	3153	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[6a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[6a]O)(CC3)	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[6a]O)(CC3)	125.4086	0.939	22	125.4086	0.882	22	123.4952	1.581	3153	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[6a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[6a]O)(CCCH)	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[6a]O)(CCCH)	123.2845	1.602	281	123.2845	2.565	281	123.4952	1.581	3153	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[6a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[6a]O)(CCHH)	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[6a]O)(CCHH)	123.4757	1.250	969	123.4757	1.563	969	123.4952	1.581	3153	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[6a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[6a]O)(CCHO)	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[6a]O)(CCHO)	123.3880	1.670	2	123.3880	2.790	2	123.4952	1.581	3153	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[6a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[6a]O)(CD3)	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[6a]O)(CD3)	123.5190	0.000	1	123.5190	0.000	1	123.4952	1.581	3153	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[6a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[6a]O)(CH3)	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[6a]O)(CH3)	123.4230	1.072	1410	123.4230	1.150	1410	123.4952	1.581	3153	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[6a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[6a]O)(CHHO)	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[6a]O)(CHHO)	122.1264	0.519	7	122.1264	0.270	7	123.4952	1.581	3153	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[6a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[6a]C[6a]N[6a])(OC)(O)	O(CC[6a]O)	O(CC[6a]O)(CC3)	C(C[6a]C[6a]N[6a])(OC)(O)	O(CC[6a]O)	O(CC[6a]O)(CC3)	126.4330	0.000	1	126.4330	0.000	1	123.4952	1.581	3153	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[6a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[6a]C[6a]N[6a])(OC)(O)	O(CC[6a]O)	O(CC[6a]O)(CCCH)	C(C[6a]C[6a]N[6a])(OC)(O)	O(CC[6a]O)	O(CC[6a]O)(CCCH)	125.3940	0.000	1	125.3940	0.000	1	123.4952	1.581	3153	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[6a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[6a]C[6a]N[6a])(OC)(O)	O(CC[6a]O)	O(CC[6a]O)(CCHH)	C(C[6a]C[6a]N[6a])(OC)(O)	O(CC[6a]O)	O(CC[6a]O)(CCHH)	124.5747	0.888	56	124.5747	0.789	56	123.4952	1.581	3153	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[6a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[6a]C[6a]N[6a])(OC)(O)	O(CC[6a]O)	O(CC[6a]O)(CH3)	C(C[6a]C[6a]N[6a])(OC)(O)	O(CC[6a]O)	O(CC[6a]O)(CH3)	124.0740	0.880	114	124.0740	0.775	114	123.4952	1.581	3153	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[6a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[6a]C[6a]O[6a])(OC)(O)	O(CC[6a]O)	O(CC[6a]O)(CCCH)	C(C[6a]C[6a]O[6a])(OC)(O)	O(CC[6a]O)	O(CC[6a]O)(CCCH)	126.4270	0.000	1	126.4270	0.000	1	123.4952	1.581	3153	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[6a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[6a]C[6a]O[6a])(OC)(O)	O(CC[6a]O)	O(CC[6a]O)(CCHH)	C(C[6a]C[6a]O[6a])(OC)(O)	O(CC[6a]O)	O(CC[6a]O)(CCHH)	125.9648	0.349	6	125.9648	0.122	6	123.4952	1.581	3153	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[6a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[6a]C[6a]O[6a])(OC)(O)	O(CC[6a]O)	O(CC[6a]O)(CH3)	C(C[6a]C[6a]O[6a])(OC)(O)	O(CC[6a]O)	O(CC[6a]O)(CH3)	125.6190	0.027	2	125.6190	0.001	2	123.4952	1.581	3153	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[6a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[6a]C[6a]S[6a])(OC)(O)	O(CC[6a]O)	O(CC[6a]O)(CH3)	C(C[6a]C[6a]S[6a])(OC)(O)	O(CC[6a]O)	O(CC[6a]O)(CH3)	125.2790	1.565	4	125.2790	2.449	4	123.4952	1.581	3153	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[6a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[6a]N[5a,6a]C[6a])(OC)(O)	O(CC[6a]O)	O(CC[6a]O)(CH3)	C(C[6a]N[5a,6a]C[6a])(OC)(O)	O(CC[6a]O)	O(CC[6a]O)(CH3)	124.8980	0.000	1	124.8980	0.000	1	123.4952	1.581	3153	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[6a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[6a]N[6,6a]C[6a])(OC)(O)	O(CC[6a]O)	O(CC[6a]O)(CH3)	C(C[6a]N[6,6a]C[6a])(OC)(O)	O(CC[6a]O)	O(CC[6a]O)(CH3)	127.0010	0.000	1	127.0010	0.000	1	123.4952	1.581	3153	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[6a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[6a]N[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[6a]O)(CCHH)	C(C[6a]N[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[6a]O)(CCHH)	125.8315	0.603	2	125.8315	0.364	2	123.4952	1.581	3153	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[6a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(C[6a]N[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[6a]O)(CH3)	C(C[6a]N[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[6a]O)(CH3)	124.7265	0.885	2	124.7265	0.783	2	123.4952	1.581	3153	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[6a]-3:O-2:O-1:	C-3:	C-3:Ga-4:	C(C[6a]C[6a]N[6a])(OGa)(O)	O(CC[6a]O)	O(CC[6a]O)(GaO3)	C(C[6a]C[6a]N[6a])(OGa)(O)	O(CC[6a]O)	O(CC[6a]O)(GaO3)	125.4247	0.623	6	125.4247	0.388	6	125.4247	0.388	6	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[6a]-3:O-2:O-1:	C-3:	C-3:P-4:	C(C[6a]C[6a]2)(OP)(O)	O(CC[6a]O)	O(CC[6a]O)(PBCC)	C(C[6a]C[6a]2)(OP)(O)	O(CC[6a]O)	O(CC[6a]O)(PBCC)	122.0650	0.000	1	122.0650	0.000	1	122.0650	0.000	1	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	C[6a]-3:O-2:O-1:	C-3:	C-3:Si-4:	C(C[6a]C[6a]2)(OSi)(O)	O(CC[6a]O)	O(CC[6a]O)(SiSiCC)	C(C[6a]C[6a]2)(OSi)(O)	O(CC[6a]O)	O(CC[6a]O)(SiSiCC)	122.6830	0.095	2	122.6830	0.009	2	122.6830	0.009	2	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[3]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[3]C[3,5]C[3])(OC)(O)	O(CN[3]O)	O(CN[3]O)(CC3)	C(N[3]C[3,5]C[3])(OC)(O)	O(CN[3]O)	O(CN[3]O)(CC3)	127.2970	0.000	1	127.2970	0.000	1	127.3082	2.333	5	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[3]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[3]C[3]2)(OC)(O)	O(CN[3]O)	O(CN[3]O)(CC3)	C(N[3]C[3]2)(OC)(O)	O(CN[3]O)	O(CN[3]O)(CC3)	128.1530	0.642	3	128.1530	0.412	3	127.3082	2.333	5	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[3]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[3]C[3]2)(OC)(O)	O(CN[3]O)	O(CN[3]O)(CH3)	C(N[3]C[3]2)(OC)(O)	O(CN[3]O)	O(CN[3]O)(CH3)	124.7850	0.000	1	124.7850	0.000	1	127.3082	2.333	5	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[4]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[4]C[3,4]N[4])(OC)(O)	O(CN[4]O)	O(CN[4]O)(CC3)	C(N[4]C[3,4]N[4])(OC)(O)	O(CN[4]O)	O(CN[4]O)(CC3)	128.2595	0.108	2	128.2595	0.012	2	127.0214	3.264	27	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[4]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[4]C[4,5]C[4])(OC)(O)	O(CN[4]O)	O(CN[4]O)(CC3)	C(N[4]C[4,5]C[4])(OC)(O)	O(CN[4]O)	O(CN[4]O)(CC3)	128.4123	1.787	3	128.4123	3.194	3	127.0214	3.264	27	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[4]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[4]C[4,6]C[4])(OC)(O)	O(CN[4]O)	O(CN[4]O)(CC3)	C(N[4]C[4,6]C[4])(OC)(O)	O(CN[4]O)	O(CN[4]O)(CC3)	128.1743	1.264	4	128.1743	1.597	4	127.0214	3.264	27	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[4]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[4]C[4]2)(OC)(O)	O(CN[4]O)	O(CN[4]O)(CC3)	C(N[4]C[4]2)(OC)(O)	O(CN[4]O)	O(CN[4]O)(CC3)	126.5161	1.168	13	126.5161	1.365	13	127.0214	3.264	27	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[4]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[4]C[4]2)(OC)(O)	O(CN[4]O)	O(CN[4]O)(CCHH)	C(N[4]C[4]2)(OC)(O)	O(CN[4]O)	O(CN[4]O)(CCHH)	120.8520	0.000	1	120.8520	0.000	1	127.0214	3.264	27	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[4]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[4]C[4]N[4])(OC)(O)	O(CN[4]O)	O(CN[4]O)(CC3)	C(N[4]C[4]N[4])(OC)(O)	O(CN[4]O)	O(CN[4]O)(CC3)	127.8790	0.065	2	127.8790	0.004	2	127.0214	3.264	27	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[4]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[4]C[4]N[4])(OC)(O)	O(CN[4]O)	O(CN[4]O)(CCHH)	C(N[4]C[4]N[4])(OC)(O)	O(CN[4]O)	O(CN[4]O)(CCHH)	126.9025	0.476	2	126.9025	0.226	2	127.0214	3.264	27	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[5,5]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[5,5]C[3x5,6]C[5,5,6])(OC)(O)	O(CN[5,5]O)	O(CN[5,5]O)(CC3)	C(N[5,5]C[3x5,6]C[5,5,6])(OC)(O)	O(CN[5,5]O)	O(CN[5,5]O)(CC3)	126.8120	0.000	1	126.8120	0.000	1	125.7133	0.618	19	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[5,5]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[5,5]C[4,5,5]C[5,5])(OC)(O)	O(CN[5,5]O)	O(CN[5,5]O)(CC3)	C(N[5,5]C[4,5,5]C[5,5])(OC)(O)	O(CN[5,5]O)	O(CN[5,5]O)(CC3)	125.2675	0.341	8	125.2675	0.116	8	125.7133	0.618	19	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[5,5]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[5,5]C[5,5,6]2)(OC)(O)	O(CN[5,5]O)	O(CN[5,5]O)(CC3)	C(N[5,5]C[5,5,6]2)(OC)(O)	O(CN[5,5]O)	O(CN[5,5]O)(CC3)	125.9600	0.876	10	125.9600	0.768	10	125.7133	0.618	19	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[5,6]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[5,6]C[5,5,6]C[5,6,6])(OC)(O)	O(CN[5,6]O)	O(CN[5,6]O)(CCHH)	C(N[5,6]C[5,5,6]C[5,6,6])(OC)(O)	O(CN[5,6]O)	O(CN[5,6]O)(CCHH)	125.7040	0.000	1	125.7040	0.000	1	126.8581	1.715	20	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[5,6]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[5,6]C[5,5,6]C[5,6])(OC)(O)	O(CN[5,6]O)	O(CN[5,6]O)(CC3)	C(N[5,6]C[5,5,6]C[5,6])(OC)(O)	O(CN[5,6]O)	O(CN[5,6]O)(CC3)	127.5111	1.301	10	127.5111	1.692	10	126.8581	1.715	20	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[5,6]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[5,6]C[5,5,6]N[5,6])(OC)(O)	O(CN[5,6]O)	O(CN[5,6]O)(CC3)	C(N[5,6]C[5,5,6]N[5,6])(OC)(O)	O(CN[5,6]O)	O(CN[5,6]O)(CC3)	127.2020	0.146	2	127.2020	0.021	2	126.8581	1.715	20	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[5,6]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[5,6]C[5,5,6]O[5,6])(OC)(O)	O(CN[5,6]O)	O(CN[5,6]O)(CC3)	C(N[5,6]C[5,5,6]O[5,6])(OC)(O)	O(CN[5,6]O)	O(CN[5,6]O)(CC3)	127.7510	0.000	1	127.7510	0.000	1	126.8581	1.715	20	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[5,6]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[5,6]C[5,6]2)(OC)(O)	O(CN[5,6]O)	O(CN[5,6]O)(CC3)	C(N[5,6]C[5,6]2)(OC)(O)	O(CN[5,6]O)	O(CN[5,6]O)(CC3)	125.9150	0.557	5	125.9150	0.310	5	126.8581	1.715	20	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[5,6]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[5,6]C[5,6]2)(OC)(O)	O(CN[5,6]O)	O(CN[5,6]O)(CCHH)	C(N[5,6]C[5,6]2)(OC)(O)	O(CN[5,6]O)	O(CN[5,6]O)(CCHH)	124.6180	0.000	1	124.6180	0.000	1	126.8581	1.715	20	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[5]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[5]C[3,5,6]C[5,6a])(OC)(O)	O(CN[5]O)	O(CN[5]O)(CH3)	C(N[5]C[3,5,6]C[5,6a])(OC)(O)	O(CN[5]O)	O(CN[5]O)(CH3)	124.4590	0.000	1	124.4590	0.000	1	126.3730	2.280	563	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[5]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[5]C[3,5]2)(OC)(O)	O(CN[5]O)	O(CN[5]O)(CC3)	C(N[5]C[3,5]2)(OC)(O)	O(CN[5]O)	O(CN[5]O)(CC3)	126.1410	0.000	1	126.1410	0.000	1	126.3730	2.280	563	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[5]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[5]C[3,5]C[5])(OC)(O)	O(CN[5]O)	O(CN[5]O)(CC3)	C(N[5]C[3,5]C[5])(OC)(O)	O(CN[5]O)	O(CN[5]O)(CC3)	128.5307	3.424	3	128.5307	11.722	3	126.3730	2.280	563	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[5]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[5]C[3x5,6]C[5,6a])(OC)(O)	O(CN[5]O)	O(CN[5]O)(CH3)	C(N[5]C[3x5,6]C[5,6a])(OC)(O)	O(CN[5]O)	O(CN[5]O)(CH3)	124.2495	0.155	2	124.2495	0.024	2	126.3730	2.280	563	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[5]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[5]C[3x5]C[5])(OC)(O)	O(CN[5]O)	O(CN[5]O)(CCHH)	C(N[5]C[3x5]C[5])(OC)(O)	O(CN[5]O)	O(CN[5]O)(CCHH)	124.0157	1.158	3	124.0157	1.341	3	126.3730	2.280	563	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[5]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[5]C[4,5,5]C[5,6a])(OC)(O)	O(CN[5]O)	O(CN[5]O)(CC3)	C(N[5]C[4,5,5]C[5,6a])(OC)(O)	O(CN[5]O)	O(CN[5]O)(CC3)	126.3900	0.000	1	126.3900	0.000	1	126.3730	2.280	563	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[5]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[5]C[4,5]C[5])(OC)(O)	O(CN[5]O)	O(CN[5]O)(CC3)	C(N[5]C[4,5]C[5])(OC)(O)	O(CN[5]O)	O(CN[5]O)(CC3)	125.7364	0.503	5	125.7364	0.253	5	126.3730	2.280	563	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[5]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[5]C[5,3x6]C[5,6a])(OC)(O)	O(CN[5]O)	O(CN[5]O)(CH3)	C(N[5]C[5,3x6]C[5,6a])(OC)(O)	O(CN[5]O)	O(CN[5]O)(CH3)	125.1560	0.000	1	125.1560	0.000	1	126.3730	2.280	563	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[5]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[5]C[5,4x6]C[5,6a])(OC)(O)	O(CN[5]O)	O(CN[5]O)(CH3)	C(N[5]C[5,4x6]C[5,6a])(OC)(O)	O(CN[5]O)	O(CN[5]O)(CH3)	123.6620	0.000	1	123.6620	0.000	1	126.3730	2.280	563	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[5]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[5]C[5,5,3x6]C[5,6a])(OC)(O)	O(CN[5]O)	O(CN[5]O)(CH3)	C(N[5]C[5,5,3x6]C[5,6a])(OC)(O)	O(CN[5]O)	O(CN[5]O)(CH3)	122.6280	0.000	1	122.6280	0.000	1	126.3730	2.280	563	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[5]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[5]C[5,5,6,6]C[5,6a])(OC)(O)	O(CN[5]O)	O(CN[5]O)(CH3)	C(N[5]C[5,5,6,6]C[5,6a])(OC)(O)	O(CN[5]O)	O(CN[5]O)(CH3)	123.5910	0.000	1	123.5910	0.000	1	126.3730	2.280	563	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[5]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[5]C[5,5,6]C[5,6a])(OC)(O)	O(CN[5]O)	O(CN[5]O)(CC3)	C(N[5]C[5,5,6]C[5,6a])(OC)(O)	O(CN[5]O)	O(CN[5]O)(CC3)	125.8260	0.322	2	125.8260	0.104	2	126.3730	2.280	563	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[5]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[5]C[5,5,6]C[5,6a])(OC)(O)	O(CN[5]O)	O(CN[5]O)(CCHH)	C(N[5]C[5,5,6]C[5,6a])(OC)(O)	O(CN[5]O)	O(CN[5]O)(CCHH)	124.0013	0.103	3	124.0013	0.011	3	126.3730	2.280	563	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[5]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[5]C[5,5,6]C[5,6a])(OC)(O)	O(CN[5]O)	O(CN[5]O)(CH3)	C(N[5]C[5,5,6]C[5,6a])(OC)(O)	O(CN[5]O)	O(CN[5]O)(CH3)	123.9135	0.502	4	123.9135	0.252	4	126.3730	2.280	563	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[5]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[5]C[5,5,6]C[5])(OC)(O)	O(CN[5]O)	O(CN[5]O)(CC3)	C(N[5]C[5,5,6]C[5])(OC)(O)	O(CN[5]O)	O(CN[5]O)(CC3)	125.6723	0.626	3	125.6723	0.392	3	126.3730	2.280	563	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[5]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[5]C[5,5]C[5,6])(OC)(O)	O(CN[5]O)	O(CN[5]O)(CC3)	C(N[5]C[5,5]C[5,6])(OC)(O)	O(CN[5]O)	O(CN[5]O)(CC3)	126.9065	0.390	2	126.9065	0.152	2	126.3730	2.280	563	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[5]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[5]C[5,5]C[5])(OC)(O)	O(CN[5]O)	O(CN[5]O)(CC3)	C(N[5]C[5,5]C[5])(OC)(O)	O(CN[5]O)	O(CN[5]O)(CC3)	126.6326	0.783	31	126.6326	0.613	31	126.3730	2.280	563	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[5]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[5]C[5,5]C[5])(OC)(O)	O(CN[5]O)	O(CN[5]O)(CCHH)	C(N[5]C[5,5]C[5])(OC)(O)	O(CN[5]O)	O(CN[5]O)(CCHH)	124.2350	0.000	1	124.2350	0.000	1	126.3730	2.280	563	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[5]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[5]C[5,5]C[5])(OC)(O)	O(CN[5]O)	O(CN[5]O)(CH3)	C(N[5]C[5,5]C[5])(OC)(O)	O(CN[5]O)	O(CN[5]O)(CH3)	125.5105	1.230	2	125.5105	1.512	2	126.3730	2.280	563	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[5]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[5]C[5,5]N[5])(OC)(O)	O(CN[5]O)	O(CN[5]O)(CCCH)	C(N[5]C[5,5]N[5])(OC)(O)	O(CN[5]O)	O(CN[5]O)(CCCH)	126.8400	0.000	1	126.8400	0.000	1	126.3730	2.280	563	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[5]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[5]C[5,5]N[5])(OC)(O)	O(CN[5]O)	O(CN[5]O)(CCHH)	C(N[5]C[5,5]N[5])(OC)(O)	O(CN[5]O)	O(CN[5]O)(CCHH)	126.1580	0.000	1	126.1580	0.000	1	126.3730	2.280	563	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[5]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[5]C[5,6,6]C[5])(OC)(O)	O(CN[5]O)	O(CN[5]O)(CC3)	C(N[5]C[5,6,6]C[5])(OC)(O)	O(CN[5]O)	O(CN[5]O)(CC3)	126.7050	0.624	2	126.7050	0.389	2	126.3730	2.280	563	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[5]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[5]C[5,6]C[5])(OC)(O)	O(CN[5]O)	O(CN[5]O)(CC3)	C(N[5]C[5,6]C[5])(OC)(O)	O(CN[5]O)	O(CN[5]O)(CC3)	126.4712	0.756	17	126.4712	0.572	17	126.3730	2.280	563	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[5]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[5]C[5,6]C[5])(OC)(O)	O(CN[5]O)	O(CN[5]O)(CH3)	C(N[5]C[5,6]C[5])(OC)(O)	O(CN[5]O)	O(CN[5]O)(CH3)	124.4900	1.199	2	124.4900	1.438	2	126.3730	2.280	563	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[5]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[5]C[5,6]N[5])(OC)(O)	O(CN[5]O)	O(CN[5]O)(CC3)	C(N[5]C[5,6]N[5])(OC)(O)	O(CN[5]O)	O(CN[5]O)(CC3)	127.7420	0.000	1	127.7420	0.000	1	126.3730	2.280	563	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[5]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[5]C[5,6]N[5])(OC)(O)	O(CN[5]O)	O(CN[5]O)(CCCH)	C(N[5]C[5,6]N[5])(OC)(O)	O(CN[5]O)	O(CN[5]O)(CCCH)	127.0740	0.000	1	127.0740	0.000	1	126.3730	2.280	563	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[5]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[5]C[5,6]S[5])(OC)(O)	O(CN[5]O)	O(CN[5]O)(CH3)	C(N[5]C[5,6]S[5])(OC)(O)	O(CN[5]O)	O(CN[5]O)(CH3)	127.5415	0.230	2	127.5415	0.053	2	126.3730	2.280	563	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[5]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[5]C[5,6a]C[3,5])(OC)(O)	O(CN[5]O)	O(CN[5]O)(CC3)	C(N[5]C[5,6a]C[3,5])(OC)(O)	O(CN[5]O)	O(CN[5]O)(CC3)	127.1630	0.383	4	127.1630	0.147	4	126.3730	2.280	563	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[5]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[5]C[5,6a]C[3,5])(OC)(O)	O(CN[5]O)	O(CN[5]O)(CH3)	C(N[5]C[5,6a]C[3,5])(OC)(O)	O(CN[5]O)	O(CN[5]O)(CH3)	126.6230	0.000	1	126.6230	0.000	1	126.3730	2.280	563	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[5]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[5]C[5,6a]C[4,5])(OC)(O)	O(CN[5]O)	O(CN[5]O)(CC3)	C(N[5]C[5,6a]C[4,5])(OC)(O)	O(CN[5]O)	O(CN[5]O)(CC3)	125.6460	0.000	1	125.6460	0.000	1	126.3730	2.280	563	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[5]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[5]C[5,6a]C[5,5])(OC)(O)	O(CN[5]O)	O(CN[5]O)(CC3)	C(N[5]C[5,6a]C[5,5])(OC)(O)	O(CN[5]O)	O(CN[5]O)(CC3)	126.3238	0.336	6	126.3238	0.113	6	126.3730	2.280	563	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[5]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[5]C[5,6a]C[5,5])(OC)(O)	O(CN[5]O)	O(CN[5]O)(CCHH)	C(N[5]C[5,6a]C[5,5])(OC)(O)	O(CN[5]O)	O(CN[5]O)(CCHH)	125.2980	0.730	9	125.2980	0.533	9	126.3730	2.280	563	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[5]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[5]C[5,6a]C[5,5])(OC)(O)	O(CN[5]O)	O(CN[5]O)(CH3)	C(N[5]C[5,6a]C[5,5])(OC)(O)	O(CN[5]O)	O(CN[5]O)(CH3)	125.0825	0.579	4	125.0825	0.336	4	126.3730	2.280	563	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[5]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[5]C[5,6a]C[5,6])(OC)(O)	O(CN[5]O)	O(CN[5]O)(CC3)	C(N[5]C[5,6a]C[5,6])(OC)(O)	O(CN[5]O)	O(CN[5]O)(CC3)	126.8970	0.033	2	126.8970	0.001	2	126.3730	2.280	563	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[5]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[5]C[5,6a]C[5,6])(OC)(O)	O(CN[5]O)	O(CN[5]O)(CCHH)	C(N[5]C[5,6a]C[5,6])(OC)(O)	O(CN[5]O)	O(CN[5]O)(CCHH)	125.8690	1.633	2	125.8690	2.668	2	126.3730	2.280	563	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[5]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[5]C[5,6a]C[5,6])(OC)(O)	O(CN[5]O)	O(CN[5]O)(CH3)	C(N[5]C[5,6a]C[5,6])(OC)(O)	O(CN[5]O)	O(CN[5]O)(CH3)	124.1401	0.447	9	124.1401	0.200	9	126.3730	2.280	563	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[5]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[5]C[5,6a]C[5])(OC)(O)	O(CN[5]O)	O(CN[5]O)(CC3)	C(N[5]C[5,6a]C[5])(OC)(O)	O(CN[5]O)	O(CN[5]O)(CC3)	127.7198	1.380	124	127.7198	1.905	124	126.3730	2.280	563	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[5]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[5]C[5,6a]C[5])(OC)(O)	O(CN[5]O)	O(CN[5]O)(CCCH)	C(N[5]C[5,6a]C[5])(OC)(O)	O(CN[5]O)	O(CN[5]O)(CCCH)	123.4410	0.000	1	123.4410	0.000	1	126.3730	2.280	563	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[5]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[5]C[5,6a]C[5])(OC)(O)	O(CN[5]O)	O(CN[5]O)(CCHH)	C(N[5]C[5,6a]C[5])(OC)(O)	O(CN[5]O)	O(CN[5]O)(CCHH)	125.2421	0.483	11	125.2421	0.233	11	126.3730	2.280	563	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[5]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[5]C[5,6a]C[5])(OC)(O)	O(CN[5]O)	O(CN[5]O)(CH3)	C(N[5]C[5,6a]C[5])(OC)(O)	O(CN[5]O)	O(CN[5]O)(CH3)	124.5001	0.530	13	124.5001	0.281	13	126.3730	2.280	563	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[5]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[5]C[5]2)(OC)(O)	O(CN[5]O)	O(CN[5]O)(CC3)	C(N[5]C[5]2)(OC)(O)	O(CN[5]O)	O(CN[5]O)(CC3)	126.0127	1.089	205	126.0127	1.187	205	126.3730	2.280	563	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[5]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[5]C[5]2)(OC)(O)	O(CN[5]O)	O(CN[5]O)(CCCH)	C(N[5]C[5]2)(OC)(O)	O(CN[5]O)	O(CN[5]O)(CCCH)	124.4280	0.000	1	124.4280	0.000	1	126.3730	2.280	563	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[5]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[5]C[5]2)(OC)(O)	O(CN[5]O)	O(CN[5]O)(CCHH)	C(N[5]C[5]2)(OC)(O)	O(CN[5]O)	O(CN[5]O)(CCHH)	124.4991	1.241	7	124.4991	1.540	7	126.3730	2.280	563	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[5]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[5]C[5]2)(OC)(O)	O(CN[5]O)	O(CN[5]O)(CH3)	C(N[5]C[5]2)(OC)(O)	O(CN[5]O)	O(CN[5]O)(CH3)	124.6010	1.454	3	124.6010	2.114	3	126.3730	2.280	563	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[5]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[5]C[5]N[5])(OC)(O)	O(CN[5]O)	O(CN[5]O)(CC3)	C(N[5]C[5]N[5])(OC)(O)	O(CN[5]O)	O(CN[5]O)(CC3)	127.1902	1.161	9	127.1902	1.348	9	126.3730	2.280	563	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[5]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[5]C[5]N[5])(OC)(O)	O(CN[5]O)	O(CN[5]O)(CCCH)	C(N[5]C[5]N[5])(OC)(O)	O(CN[5]O)	O(CN[5]O)(CCCH)	127.6224	0.837	10	127.6224	0.700	10	126.3730	2.280	563	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[5]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[5]C[5]N[5])(OC)(O)	O(CN[5]O)	O(CN[5]O)(CCHH)	C(N[5]C[5]N[5])(OC)(O)	O(CN[5]O)	O(CN[5]O)(CCHH)	125.7263	0.770	10	125.7263	0.593	10	126.3730	2.280	563	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[5]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[5]C[5]O[5])(OC)(O)	O(CN[5]O)	O(CN[5]O)(CC3)	C(N[5]C[5]O[5])(OC)(O)	O(CN[5]O)	O(CN[5]O)(CC3)	127.8640	0.775	9	127.8640	0.600	9	126.3730	2.280	563	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[5]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[5]C[5]S[5])(OC)(O)	O(CN[5]O)	O(CN[5]O)(CC3)	C(N[5]C[5]S[5])(OC)(O)	O(CN[5]O)	O(CN[5]O)(CC3)	128.7291	0.609	7	128.7291	0.371	7	126.3730	2.280	563	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[5]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[5]C[5]S[5])(OC)(O)	O(CN[5]O)	O(CN[5]O)(CH3)	C(N[5]C[5]S[5])(OC)(O)	O(CN[5]O)	O(CN[5]O)(CH3)	126.7880	0.580	5	126.7880	0.337	5	126.3730	2.280	563	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[5]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[5]N[5,5]C[5])(OC)(O)	O(CN[5]O)	O(CN[5]O)(CCCH)	C(N[5]N[5,5]C[5])(OC)(O)	O(CN[5]O)	O(CN[5]O)(CCCH)	125.6610	0.000	1	125.6610	0.000	1	126.3730	2.280	563	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[5]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[5]N[5,5]C[5])(OC)(O)	O(CN[5]O)	O(CN[5]O)(CH3)	C(N[5]N[5,5]C[5])(OC)(O)	O(CN[5]O)	O(CN[5]O)(CH3)	125.7180	0.000	1	125.7180	0.000	1	126.3730	2.280	563	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[5]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[5]N[5]2)(OC)(O)	O(CN[5]O)	O(CN[5]O)(CC3)	C(N[5]N[5]2)(OC)(O)	O(CN[5]O)	O(CN[5]O)(CC3)	128.6050	0.000	1	128.6050	0.000	1	126.3730	2.280	563	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[5]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[5]N[5]P[5])(OC)(O)	O(CN[5]O)	O(CN[5]O)(CCCH)	C(N[5]N[5]P[5])(OC)(O)	O(CN[5]O)	O(CN[5]O)(CCCH)	124.7701	0.656	9	124.7701	0.431	9	126.3730	2.280	563	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[5]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[5]N[5]P[5])(OC)(O)	O(CN[5]O)	O(CN[5]O)(CCHH)	C(N[5]N[5]P[5])(OC)(O)	O(CN[5]O)	O(CN[5]O)(CCHH)	125.4920	0.000	1	125.4920	0.000	1	126.3730	2.280	563	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[5]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[5]N[5]S[5])(OC)(O)	O(CN[5]O)	O(CN[5]O)(CCCH)	C(N[5]N[5]S[5])(OC)(O)	O(CN[5]O)	O(CN[5]O)(CCCH)	127.4800	0.000	1	127.4800	0.000	1	126.3730	2.280	563	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[5]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[5]Si[5,6]N[5])(OC)(O)	O(CN[5]O)	O(CN[5]O)(CCCH)	C(N[5]Si[5,6]N[5])(OC)(O)	O(CN[5]O)	O(CN[5]O)(CCCH)	126.0630	0.000	1	126.0630	0.000	1	126.3730	2.280	563	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[5a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[5a]C[5,5a]N[5a])(OC)(O)	O(CN[5a]O)	O(CN[5a]O)(CCHH)	C(N[5a]C[5,5a]N[5a])(OC)(O)	O(CN[5a]O)	O(CN[5a]O)(CCHH)	126.9425	0.127	2	126.9425	0.016	2	127.2935	2.121	155	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[5a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[5a]C[5a,5a]C[5a,6a])(OC)(O)	O(CN[5a]O)	O(CN[5a]O)(CC3)	C(N[5a]C[5a,5a]C[5a,6a])(OC)(O)	O(CN[5a]O)	O(CN[5a]O)(CC3)	128.6520	0.000	1	128.6520	0.000	1	127.2935	2.121	155	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[5a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[5a]C[5a,5a]C[5a,6a])(OC)(O)	O(CN[5a]O)	O(CN[5a]O)(CCHH)	C(N[5a]C[5a,5a]C[5a,6a])(OC)(O)	O(CN[5a]O)	O(CN[5a]O)(CCHH)	124.9070	0.000	1	124.9070	0.000	1	127.2935	2.121	155	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[5a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[5a]C[5a,5a]C[5a])(OC)(O)	O(CN[5a]O)	O(CN[5a]O)(CC3)	C(N[5a]C[5a,5a]C[5a])(OC)(O)	O(CN[5a]O)	O(CN[5a]O)(CC3)	128.1020	0.531	3	128.1020	0.282	3	127.2935	2.121	155	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[5a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[5a]C[5a,6]C[5a])(OC)(O)	O(CN[5a]O)	O(CN[5a]O)(CC3)	C(N[5a]C[5a,6]C[5a])(OC)(O)	O(CN[5a]O)	O(CN[5a]O)(CC3)	127.6700	0.000	1	127.6700	0.000	1	127.2935	2.121	155	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[5a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[5a]C[5a,6a]2)(OC)(O)	O(CN[5a]O)	O(CN[5a]O)(CC3)	C(N[5a]C[5a,6a]2)(OC)(O)	O(CN[5a]O)	O(CN[5a]O)(CC3)	127.1866	0.499	5	127.1866	0.249	5	127.2935	2.121	155	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[5a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[5a]C[5a,6a]C[5,5a])(OC)(O)	O(CN[5a]O)	O(CN[5a]O)(CC3)	C(N[5a]C[5a,6a]C[5,5a])(OC)(O)	O(CN[5a]O)	O(CN[5a]O)(CC3)	128.0270	0.000	2	128.0270	0.000	2	127.2935	2.121	155	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[5a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[5a]C[5a,6a]C[5a,6])(OC)(O)	O(CN[5a]O)	O(CN[5a]O)(CC3)	C(N[5a]C[5a,6a]C[5a,6])(OC)(O)	O(CN[5a]O)	O(CN[5a]O)(CC3)	127.2330	1.120	27	127.2330	1.255	27	127.2935	2.121	155	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[5a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[5a]C[5a,6a]C[5a,6])(OC)(O)	O(CN[5a]O)	O(CN[5a]O)(CCHH)	C(N[5a]C[5a,6a]C[5a,6])(OC)(O)	O(CN[5a]O)	O(CN[5a]O)(CCHH)	125.4200	0.222	3	125.4200	0.049	3	127.2935	2.121	155	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[5a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[5a]C[5a,6a]C[5a])(OC)(O)	O(CN[5a]O)	O(CN[5a]O)(CC3)	C(N[5a]C[5a,6a]C[5a])(OC)(O)	O(CN[5a]O)	O(CN[5a]O)(CC3)	127.7583	0.754	46	127.7583	0.568	46	127.2935	2.121	155	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[5a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[5a]C[5a,6a]C[5a])(OC)(O)	O(CN[5a]O)	O(CN[5a]O)(CCHH)	C(N[5a]C[5a,6a]C[5a])(OC)(O)	O(CN[5a]O)	O(CN[5a]O)(CCHH)	124.9569	0.740	19	124.9569	0.548	19	127.2935	2.121	155	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[5a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[5a]C[5a,6a]C[5a])(OC)(O)	O(CN[5a]O)	O(CN[5a]O)(CH3)	C(N[5a]C[5a,6a]C[5a])(OC)(O)	O(CN[5a]O)	O(CN[5a]O)(CH3)	125.4745	0.692	2	125.4745	0.479	2	127.2935	2.121	155	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[5a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[5a]C[5a,6a]N[5a])(OC)(O)	O(CN[5a]O)	O(CN[5a]O)(CCHH)	C(N[5a]C[5a,6a]N[5a])(OC)(O)	O(CN[5a]O)	O(CN[5a]O)(CCHH)	127.3080	0.000	1	127.3080	0.000	1	127.2935	2.121	155	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[5a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[5a]C[5a,6a]N[5a])(OC)(O)	O(CN[5a]O)	O(CN[5a]O)(CH3)	C(N[5a]C[5a,6a]N[5a])(OC)(O)	O(CN[5a]O)	O(CN[5a]O)(CH3)	127.6930	0.000	1	127.6930	0.000	1	127.2935	2.121	155	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[5a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[5a]C[5a]2)(OC)(O)	O(CN[5a]O)	O(CN[5a]O)(CC3)	C(N[5a]C[5a]2)(OC)(O)	O(CN[5a]O)	O(CN[5a]O)(CC3)	128.0993	1.188	19	128.0993	1.411	19	127.2935	2.121	155	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[5a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[5a]C[5a]2)(OC)(O)	O(CN[5a]O)	O(CN[5a]O)(CH3)	C(N[5a]C[5a]2)(OC)(O)	O(CN[5a]O)	O(CN[5a]O)(CH3)	127.1025	1.556	2	127.1025	2.422	2	127.2935	2.121	155	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[5a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[5a]C[5a]N[5a])(OC)(O)	O(CN[5a]O)	O(CN[5a]O)(CC3)	C(N[5a]C[5a]N[5a])(OC)(O)	O(CN[5a]O)	O(CN[5a]O)(CC3)	129.2353	0.642	3	129.2353	0.412	3	127.2935	2.121	155	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[5a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[5a]C[5a]N[5a])(OC)(O)	O(CN[5a]O)	O(CN[5a]O)(CCCH)	C(N[5a]C[5a]N[5a])(OC)(O)	O(CN[5a]O)	O(CN[5a]O)(CCCH)	127.7120	0.093	2	127.7120	0.009	2	127.2935	2.121	155	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[5a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[5a]C[5a]N[5a])(OC)(O)	O(CN[5a]O)	O(CN[5a]O)(CCHH)	C(N[5a]C[5a]N[5a])(OC)(O)	O(CN[5a]O)	O(CN[5a]O)(CCHH)	127.5895	0.500	2	127.5895	0.250	2	127.2935	2.121	155	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[5a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[5a]C[5a]N[5a])(OC)(O)	O(CN[5a]O)	O(CN[5a]O)(CH3)	C(N[5a]C[5a]N[5a])(OC)(O)	O(CN[5a]O)	O(CN[5a]O)(CH3)	128.5312	2.390	9	128.5312	5.714	9	127.2935	2.121	155	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[5a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[5a]C[5a]S[5a])(OC)(O)	O(CN[5a]O)	O(CN[5a]O)(CCCH)	C(N[5a]C[5a]S[5a])(OC)(O)	O(CN[5a]O)	O(CN[5a]O)(CCCH)	127.0090	0.000	1	127.0090	0.000	1	127.2935	2.121	155	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[5a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[5a]C[5a]S[5a])(OC)(O)	O(CN[5a]O)	O(CN[5a]O)(CCHH)	C(N[5a]C[5a]S[5a])(OC)(O)	O(CN[5a]O)	O(CN[5a]O)(CCHH)	126.7767	0.645	3	126.7767	0.416	3	127.2935	2.121	155	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[6,6]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[6,6]C[3x6]2)(OC)(O)	O(CN[6,6]O)	O(CN[6,6]O)(CH3)	C(N[6,6]C[3x6]2)(OC)(O)	O(CN[6,6]O)	O(CN[6,6]O)(CH3)	122.7240	0.000	1	122.7240	0.000	1	125.3246	3.036	11	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[6,6]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[6,6]C[3x6]C[6,6])(OC)(O)	O(CN[6,6]O)	O(CN[6,6]O)(CC3)	C(N[6,6]C[3x6]C[6,6])(OC)(O)	O(CN[6,6]O)	O(CN[6,6]O)(CC3)	126.2425	0.268	2	126.2425	0.072	2	125.3246	3.036	11	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[6,6]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[6,6]C[3x6]C[6,6])(OC)(O)	O(CN[6,6]O)	O(CN[6,6]O)(CH3)	C(N[6,6]C[3x6]C[6,6])(OC)(O)	O(CN[6,6]O)	O(CN[6,6]O)(CH3)	123.5220	0.000	1	123.5220	0.000	1	125.3246	3.036	11	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[6,6]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[6,6]C[3x6]O[6,6])(OC)(O)	O(CN[6,6]O)	O(CN[6,6]O)(CC3)	C(N[6,6]C[3x6]O[6,6])(OC)(O)	O(CN[6,6]O)	O(CN[6,6]O)(CC3)	127.4910	0.263	3	127.4910	0.069	3	125.3246	3.036	11	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[6,6]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[6,6]C[6,6]2)(OC)(O)	O(CN[6,6]O)	O(CN[6,6]O)(CH3)	C(N[6,6]C[6,6]2)(OC)(O)	O(CN[6,6]O)	O(CN[6,6]O)(CH3)	124.3418	0.412	4	124.3418	0.170	4	125.3246	3.036	11	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[6]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[6]C[5,5,6]C[6])(OC)(O)	O(CN[6]O)	O(CN[6]O)(CH3)	C(N[6]C[5,5,6]C[6])(OC)(O)	O(CN[6]O)	O(CN[6]O)(CH3)	123.2408	0.380	8	123.2408	0.145	8	125.1868	2.405	238	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[6]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[6]C[5,6]C[6])(OC)(O)	O(CN[6]O)	O(CN[6]O)(CC3)	C(N[6]C[5,6]C[6])(OC)(O)	O(CN[6]O)	O(CN[6]O)(CC3)	126.4805	0.745	6	126.4805	0.556	6	125.1868	2.405	238	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[6]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[6]C[5,6]C[6])(OC)(O)	O(CN[6]O)	O(CN[6]O)(CH3)	C(N[6]C[5,6]C[6])(OC)(O)	O(CN[6]O)	O(CN[6]O)(CH3)	122.2990	0.000	1	122.2990	0.000	1	125.1868	2.405	238	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[6]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[6]C[6,6]C[6])(OC)(O)	O(CN[6]O)	O(CN[6]O)(CC3)	C(N[6]C[6,6]C[6])(OC)(O)	O(CN[6]O)	O(CN[6]O)(CC3)	124.6154	0.937	13	124.6154	0.877	13	125.1868	2.405	238	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[6]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[6]C[6,6]C[6])(OC)(O)	O(CN[6]O)	O(CN[6]O)(CH3)	C(N[6]C[6,6]C[6])(OC)(O)	O(CN[6]O)	O(CN[6]O)(CH3)	124.9627	0.560	3	124.9627	0.313	3	125.1868	2.405	238	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[6]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[6]C[6,6a]2)(OC)(O)	O(CN[6]O)	O(CN[6]O)(CC3)	C(N[6]C[6,6a]2)(OC)(O)	O(CN[6]O)	O(CN[6]O)(CC3)	126.2820	1.100	3	126.2820	1.210	3	125.1868	2.405	238	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[6]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[6]C[6,6a]C[5,6])(OC)(O)	O(CN[6]O)	O(CN[6]O)(CH3)	C(N[6]C[6,6a]C[5,6])(OC)(O)	O(CN[6]O)	O(CN[6]O)(CH3)	123.8530	0.000	1	123.8530	0.000	1	125.1868	2.405	238	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[6]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[6]C[6,6a]C[6,6])(OC)(O)	O(CN[6]O)	O(CN[6]O)(CC3)	C(N[6]C[6,6a]C[6,6])(OC)(O)	O(CN[6]O)	O(CN[6]O)(CC3)	127.6350	0.000	1	127.6350	0.000	1	125.1868	2.405	238	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[6]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[6]C[6,6a]C[6,6])(OC)(O)	O(CN[6]O)	O(CN[6]O)(CH3)	C(N[6]C[6,6a]C[6,6])(OC)(O)	O(CN[6]O)	O(CN[6]O)(CH3)	123.7195	0.054	2	123.7195	0.003	2	125.1868	2.405	238	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[6]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[6]C[6,6a]C[6])(OC)(O)	O(CN[6]O)	O(CN[6]O)(CC3)	C(N[6]C[6,6a]C[6])(OC)(O)	O(CN[6]O)	O(CN[6]O)(CC3)	126.6351	1.755	14	126.6351	3.080	14	125.1868	2.405	238	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[6]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[6]C[6,6a]C[6])(OC)(O)	O(CN[6]O)	O(CN[6]O)(CCHH)	C(N[6]C[6,6a]C[6])(OC)(O)	O(CN[6]O)	O(CN[6]O)(CCHH)	123.8413	0.509	6	123.8413	0.259	6	125.1868	2.405	238	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[6]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[6]C[6,6a]C[6])(OC)(O)	O(CN[6]O)	O(CN[6]O)(CH3)	C(N[6]C[6,6a]C[6])(OC)(O)	O(CN[6]O)	O(CN[6]O)(CH3)	124.1780	1.122	17	124.1780	1.259	17	125.1868	2.405	238	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[6]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[6]C[6]2)(OC)(O)	O(CN[6]O)	O(CN[6]O)(CC3)	C(N[6]C[6]2)(OC)(O)	O(CN[6]O)	O(CN[6]O)(CC3)	125.4117	1.076	99	125.4117	1.157	99	125.1868	2.405	238	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[6]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[6]C[6]2)(OC)(O)	O(CN[6]O)	O(CN[6]O)(CCCH)	C(N[6]C[6]2)(OC)(O)	O(CN[6]O)	O(CN[6]O)(CCCH)	122.8890	0.000	1	122.8890	0.000	1	125.1868	2.405	238	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[6]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[6]C[6]2)(OC)(O)	O(CN[6]O)	O(CN[6]O)(CCHH)	C(N[6]C[6]2)(OC)(O)	O(CN[6]O)	O(CN[6]O)(CCHH)	124.0666	1.268	26	124.0666	1.607	26	125.1868	2.405	238	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[6]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[6]C[6]2)(OC)(O)	O(CN[6]O)	O(CN[6]O)(CH3)	C(N[6]C[6]2)(OC)(O)	O(CN[6]O)	O(CN[6]O)(CH3)	123.7475	1.038	11	123.7475	1.078	11	125.1868	2.405	238	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[6]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[6]C[6]N[6])(OC)(O)	O(CN[6]O)	O(CN[6]O)(CC3)	C(N[6]C[6]N[6])(OC)(O)	O(CN[6]O)	O(CN[6]O)(CC3)	127.3231	0.532	8	127.3231	0.283	8	125.1868	2.405	238	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[6]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[6]C[6]N[6])(OC)(O)	O(CN[6]O)	O(CN[6]O)(CCCH)	C(N[6]C[6]N[6])(OC)(O)	O(CN[6]O)	O(CN[6]O)(CCCH)	128.7097	1.797	3	128.7097	3.230	3	125.1868	2.405	238	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[6]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[6]C[6]N[6])(OC)(O)	O(CN[6]O)	O(CN[6]O)(CCHH)	C(N[6]C[6]N[6])(OC)(O)	O(CN[6]O)	O(CN[6]O)(CCHH)	126.2910	1.605	7	126.2910	2.575	7	125.1868	2.405	238	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[6]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[6]C[6]N[6])(OC)(O)	O(CN[6]O)	O(CN[6]O)(CH3)	C(N[6]C[6]N[6])(OC)(O)	O(CN[6]O)	O(CN[6]O)(CH3)	126.2090	0.000	1	126.2090	0.000	1	125.1868	2.405	238	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[6]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[6]C[6]O[6])(OC)(O)	O(CN[6]O)	O(CN[6]O)(CC3)	C(N[6]C[6]O[6])(OC)(O)	O(CN[6]O)	O(CN[6]O)(CC3)	127.6000	0.122	3	127.6000	0.015	3	125.1868	2.405	238	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[6]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[6]C[6]O[6])(OC)(O)	O(CN[6]O)	O(CN[6]O)(CCHH)	C(N[6]C[6]O[6])(OC)(O)	O(CN[6]O)	O(CN[6]O)(CCHH)	124.4910	0.000	1	124.4910	0.000	1	125.1868	2.405	238	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[6]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[6]N[5,6]C[6])(OC)(O)	O(CN[6]O)	O(CN[6]O)(CC3)	C(N[6]N[5,6]C[6])(OC)(O)	O(CN[6]O)	O(CN[6]O)(CC3)	125.3990	0.000	1	125.3990	0.000	1	125.1868	2.405	238	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[6]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[6]N[6]2)(OC)(O)	O(CN[6]O)	O(CN[6]O)(CC3)	C(N[6]N[6]2)(OC)(O)	O(CN[6]O)	O(CN[6]O)(CC3)	126.4560	0.000	1	126.4560	0.000	1	125.1868	2.405	238	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[6]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[6]N[6]2)(OC)(O)	O(CN[6]O)	O(CN[6]O)(CCCH)	C(N[6]N[6]2)(OC)(O)	O(CN[6]O)	O(CN[6]O)(CCCH)	128.0160	0.000	1	128.0160	0.000	1	125.1868	2.405	238	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[6a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[6a]C[6a,6a]2)(OC)(O)	O(CN[6a]O)	O(CN[6a]O)(CC3)	C(N[6a]C[6a,6a]2)(OC)(O)	O(CN[6a]O)	O(CN[6a]O)(CC3)	128.3370	0.000	1	128.3370	0.000	1	126.8773	6.814	4	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[6a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[6a]C[6a,6a]C[6a])(OC)(O)	O(CN[6a]O)	O(CN[6a]O)(CCHH)	C(N[6a]C[6a,6a]C[6a])(OC)(O)	O(CN[6a]O)	O(CN[6a]O)(CCHH)	124.6780	0.017	2	124.6780	0.000	2	126.8773	6.814	4	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	3:4:	N[6a]-3:O-2:O-1:	C-3:	C-3:C-4:	C(N[6a]C[6a]2)(OC)(O)	O(CN[6a]O)	O(CN[6a]O)(CC3)	C(N[6a]C[6a]2)(OC)(O)	O(CN[6a]O)	O(CN[6a]O)(CC3)	129.8160	0.000	1	129.8160	0.000	1	126.8773	6.814	4	123.9282	2.900	7235	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CAsSe)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CAsSe)(OC)(O)	O(CCO)	O(CH3)(CCO)	121.8350	0.000	1	121.8350	0.000	1	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CBC)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CBC)(OC)(O)	O(CCO)	O(CH3)(CCO)	121.3800	0.000	1	121.3800	0.000	1	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CB[5x3,3x5,11x6]C)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CB[5x3,3x5,11x6]C)(OC)(O)	O(CCO)	O(CH3)(CCO)	122.3040	1.223	2	122.3040	1.496	2	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CB[5x3,5x5,20x6]C)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CB[5x3,5x5,20x6]C)(OC)(O)	O(CCO)	O(CH3)(CCO)	122.5780	0.000	1	122.5780	0.000	1	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CBiC)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CBiC)(OC)(O)	O(CCO)	O(CH3)(CCO)	124.8000	0.000	1	124.8000	0.000	1	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CBrC)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CBrC)(OC)(O)	O(CCO)	O(CCHH)(CCO)	123.9810	0.000	1	123.9810	0.000	1	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CBrC)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CBrC)(OC)(O)	O(CCO)	O(CH3)(CCO)	124.7263	0.878	10	124.7263	0.770	10	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CBrN)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CBrN)(OC)(O)	O(CCO)	O(CCHH)(CCO)	124.2120	0.000	1	124.2120	0.000	1	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CCC)(OC)(O)	O(CCO)	O(CC3)(CCO)	C(CCC)(OC)(O)	O(CCO)	O(CC3)(CCO)	124.1703	3.318	14	124.1703	11.010	14	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CCC)(OC)(O)	O(CCO)	O(CCCH)(CCO)	C(CCC)(OC)(O)	O(CCO)	O(CCCH)(CCO)	123.7152	0.936	11	123.7152	0.877	11	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CCC)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CCC)(OC)(O)	O(CCO)	O(CCHH)(CCO)	123.2367	1.582	250	123.2367	2.502	250	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CCC)(OC)(O)	O(CCO)	O(CC[5]2H)(CCO)	C(CCC)(OC)(O)	O(CCO)	O(CC[5]2H)(CCO)	122.7721	0.582	9	122.7721	0.339	9	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CCC)(OC)(O)	O(CCO)	O(CC[5]CH)(CCO)	C(CCC)(OC)(O)	O(CCO)	O(CC[5]CH)(CCO)	123.3192	0.856	6	123.3192	0.733	6	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CCC)(OC)(O)	O(CCO)	O(CC[5]HH)(CCO)	C(CCC)(OC)(O)	O(CCO)	O(CC[5]HH)(CCO)	123.4010	0.000	1	123.4010	0.000	1	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CCC)(OC)(O)	O(CCO)	O(CC[6]HH)(CCO)	C(CCC)(OC)(O)	O(CCO)	O(CC[6]HH)(CCO)	122.8327	1.069	3	122.8327	1.143	3	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CCC)(OC)(O)	O(CCO)	O(CC[6a]2H)(CCO)	C(CCC)(OC)(O)	O(CCO)	O(CC[6a]2H)(CCO)	123.9090	0.000	1	123.9090	0.000	1	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CCC)(OC)(O)	O(CCO)	O(CC[6a]3)(CCO)	C(CCC)(OC)(O)	O(CCO)	O(CC[6a]3)(CCO)	124.5903	0.192	3	124.5903	0.037	3	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CCC)(OC)(O)	O(CCO)	O(CC[6a]CH)(CCO)	C(CCC)(OC)(O)	O(CCO)	O(CC[6a]CH)(CCO)	122.8560	0.000	1	122.8560	0.000	1	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CCC)(OC)(O)	O(CCO)	O(CC[6a]HH)(CCO)	C(CCC)(OC)(O)	O(CCO)	O(CC[6a]HH)(CCO)	122.6845	1.136	6	122.6845	1.291	6	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CCC)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CCC)(OC)(O)	O(CCO)	O(CH3)(CCO)	123.2205	1.294	325	123.2205	1.675	325	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CCF)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CCF)(OC)(O)	O(CCO)	O(CCHH)(CCO)	124.5670	0.000	1	124.5670	0.000	1	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CCF)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CCF)(OC)(O)	O(CCO)	O(CH3)(CCO)	124.1030	0.000	1	124.1030	0.000	1	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CCH)(OC)(O)	O(CCO)	O(CC3)(CCO)	C(CCH)(OC)(O)	O(CCO)	O(CC3)(CCO)	124.9466	0.801	27	124.9466	0.641	27	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CCH)(OC)(O)	O(CCO)	O(CCCH)(CCO)	C(CCH)(OC)(O)	O(CCO)	O(CCCH)(CCO)	123.9429	0.938	28	123.9429	0.880	28	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CCH)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CCH)(OC)(O)	O(CCO)	O(CCHH)(CCO)	123.1304	0.880	181	123.1304	0.774	181	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CCH)(OC)(O)	O(CCO)	O(CC[5]HH)(CCO)	C(CCH)(OC)(O)	O(CCO)	O(CC[5]HH)(CCO)	123.2100	0.516	2	123.2100	0.266	2	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CCH)(OC)(O)	O(CCO)	O(CC[6,6]HH)(CCO)	C(CCH)(OC)(O)	O(CCO)	O(CC[6,6]HH)(CCO)	123.1280	0.000	1	123.1280	0.000	1	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CCH)(OC)(O)	O(CCO)	O(CC[6]CC)(CCO)	C(CCH)(OC)(O)	O(CCO)	O(CC[6]CC)(CCO)	117.4743	2.206	3	117.4743	4.865	3	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CCH)(OC)(O)	O(CCO)	O(CC[6]HH)(CCO)	C(CCH)(OC)(O)	O(CCO)	O(CC[6]HH)(CCO)	122.6540	0.000	1	122.6540	0.000	1	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CCH)(OC)(O)	O(CCO)	O(CC[6a]2H)(CCO)	C(CCH)(OC)(O)	O(CCO)	O(CC[6a]2H)(CCO)	123.7390	0.000	1	123.7390	0.000	1	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CCH)(OC)(O)	O(CCO)	O(CC[6a]CH)(CCO)	C(CCH)(OC)(O)	O(CCO)	O(CC[6a]CH)(CCO)	117.5032	3.010	6	117.5032	9.058	6	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CCH)(OC)(O)	O(CCO)	O(CC[6a]HH)(CCO)	C(CCH)(OC)(O)	O(CCO)	O(CC[6a]HH)(CCO)	122.6544	1.339	46	122.6544	1.792	46	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CCH)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CCH)(OC)(O)	O(CCO)	O(CH3)(CCO)	123.0350	1.198	239	123.0350	1.434	239	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CCI)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CCI)(OC)(O)	O(CCO)	O(CCHH)(CCO)	121.9530	0.000	1	121.9530	0.000	1	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CCI)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CCI)(OC)(O)	O(CCO)	O(CH3)(CCO)	122.4757	1.644	3	122.4757	2.701	3	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CCN)(OC)(O)	O(CCO)	O(CC3)(CCO)	C(CCN)(OC)(O)	O(CCO)	O(CC3)(CCO)	128.2925	0.910	2	128.2925	0.828	2	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CCN)(OC)(O)	O(CCO)	O(CCCH)(CCO)	C(CCN)(OC)(O)	O(CCO)	O(CCCH)(CCO)	124.8835	0.035	2	124.8835	0.001	2	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CCN)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CCN)(OC)(O)	O(CCO)	O(CCHH)(CCO)	123.8706	1.489	68	123.8706	2.216	68	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CCN)(OC)(O)	O(CCO)	O(CC[6a]HH)(CCO)	C(CCN)(OC)(O)	O(CCO)	O(CC[6a]HH)(CCO)	124.9990	0.621	2	124.9990	0.385	2	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CCN)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CCN)(OC)(O)	O(CCO)	O(CH3)(CCO)	124.3798	1.225	59	124.3798	1.502	59	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CCO)(OC)(O)	O(CCO)	O(CC3)(CCO)	C(CCO)(OC)(O)	O(CCO)	O(CC3)(CCO)	126.7230	0.703	2	126.7230	0.494	2	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CCO)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CCO)(OC)(O)	O(CCO)	O(CCHH)(CCO)	125.0963	1.070	27	125.0963	1.144	27	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CCO)(OC)(O)	O(CCO)	O(CC[6a]HH)(CCO)	C(CCO)(OC)(O)	O(CCO)	O(CC[6a]HH)(CCO)	124.8560	0.000	1	124.8560	0.000	1	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CCO)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CCO)(OC)(O)	O(CCO)	O(CH3)(CCO)	125.0017	1.350	25	125.0017	1.821	25	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CCP)(OC)(O)	O(CCO)	O(CC3)(CCO)	C(CCP)(OC)(O)	O(CCO)	O(CC3)(CCO)	122.3135	0.501	2	122.3135	0.251	2	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CCP)(OC)(O)	O(CCO)	O(CCCH)(CCO)	C(CCP)(OC)(O)	O(CCO)	O(CCCH)(CCO)	120.4800	0.089	4	120.4800	0.008	4	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CCP)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CCP)(OC)(O)	O(CCO)	O(CCHH)(CCO)	121.6132	1.849	8	121.6132	3.419	8	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CCP)(OC)(O)	O(CCO)	O(CC[6a]HH)(CCO)	C(CCP)(OC)(O)	O(CCO)	O(CC[6a]HH)(CCO)	120.0800	0.000	1	120.0800	0.000	1	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CCP)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CCP)(OC)(O)	O(CCO)	O(CH3)(CCO)	123.5134	2.009	30	123.5134	4.038	30	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CCS)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CCS)(OC)(O)	O(CCO)	O(CCHH)(CCO)	123.7391	1.561	17	123.7391	2.437	17	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CCS)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CCS)(OC)(O)	O(CCO)	O(CH3)(CCO)	123.8821	1.407	121	123.8821	1.980	121	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CC[3]C)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CC[3]C)(OC)(O)	O(CCO)	O(CCHH)(CCO)	123.8685	0.672	2	123.8685	0.452	2	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CC[3]C)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CC[3]C)(OC)(O)	O(CCO)	O(CH3)(CCO)	123.9500	0.105	2	123.9500	0.011	2	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CC[3]H)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CC[3]H)(OC)(O)	O(CCO)	O(CCHH)(CCO)	122.3230	0.000	1	122.3230	0.000	1	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CC[3]O)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CC[3]O)(OC)(O)	O(CCO)	O(CH3)(CCO)	125.8568	1.128	4	125.8568	1.273	4	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CC[4]H)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CC[4]H)(OC)(O)	O(CCO)	O(CCHH)(CCO)	123.7224	0.618	5	123.7224	0.382	5	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CC[4]H)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CC[4]H)(OC)(O)	O(CCO)	O(CH3)(CCO)	121.7920	0.318	2	121.7920	0.101	2	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CC[5,6]C[5])(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CC[5,6]C[5])(OC)(O)	O(CCO)	O(CH3)(CCO)	124.3690	0.000	1	124.3690	0.000	1	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CC[5]2)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CC[5]2)(OC)(O)	O(CCO)	O(CH3)(CCO)	119.8160	0.000	1	119.8160	0.000	1	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CC[5]Br)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CC[5]Br)(OC)(O)	O(CCO)	O(CCHH)(CCO)	123.8285	0.176	2	123.8285	0.031	2	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CC[5]C)(OC)(O)	O(CCO)	O(CC3)(CCO)	C(CC[5]C)(OC)(O)	O(CCO)	O(CC3)(CCO)	125.6928	1.161	5	125.6928	1.348	5	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CC[5]C)(OC)(O)	O(CCO)	O(CCCH)(CCO)	C(CC[5]C)(OC)(O)	O(CCO)	O(CCCH)(CCO)	123.6020	0.173	2	123.6020	0.030	2	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CC[5]C)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CC[5]C)(OC)(O)	O(CCO)	O(CCHH)(CCO)	123.8381	0.947	45	123.8381	0.897	45	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CC[5]C)(OC)(O)	O(CCO)	O(CC[6a]HH)(CCO)	C(CC[5]C)(OC)(O)	O(CCO)	O(CC[6a]HH)(CCO)	123.0010	0.042	2	123.0010	0.002	2	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CC[5]C)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CC[5]C)(OC)(O)	O(CCO)	O(CH3)(CCO)	123.0384	1.168	42	123.0384	1.365	42	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CC[5]H)(OC)(O)	O(CCO)	O(CC3)(CCO)	C(CC[5]H)(OC)(O)	O(CCO)	O(CC3)(CCO)	124.1300	0.000	1	124.1300	0.000	1	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CC[5]H)(OC)(O)	O(CCO)	O(CCCH)(CCO)	C(CC[5]H)(OC)(O)	O(CCO)	O(CCCH)(CCO)	123.7407	0.495	3	123.7407	0.245	3	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CC[5]H)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CC[5]H)(OC)(O)	O(CCO)	O(CCHH)(CCO)	122.9384	0.825	39	122.9384	0.680	39	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CC[5]H)(OC)(O)	O(CCO)	O(CC[6a]HH)(CCO)	C(CC[5]H)(OC)(O)	O(CCO)	O(CC[6a]HH)(CCO)	122.6285	0.148	2	122.6285	0.022	2	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CC[5]H)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CC[5]H)(OC)(O)	O(CCO)	O(CH3)(CCO)	123.2542	0.726	34	123.2542	0.527	34	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CC[5]N)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CC[5]N)(OC)(O)	O(CCO)	O(CCHH)(CCO)	123.9535	1.120	8	123.9535	1.255	8	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CC[5]N)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CC[5]N)(OC)(O)	O(CCO)	O(CH3)(CCO)	124.1985	1.378	2	124.1985	1.899	2	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CC[5]N[6])(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CC[5]N[6])(OC)(O)	O(CCO)	O(CCHH)(CCO)	122.2230	0.000	1	122.2230	0.000	1	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CC[5]O)(OC)(O)	O(CCO)	O(CC3)(CCO)	C(CC[5]O)(OC)(O)	O(CCO)	O(CC3)(CCO)	127.4180	0.000	1	127.4180	0.000	1	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CC[5]O)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CC[5]O)(OC)(O)	O(CCO)	O(CCHH)(CCO)	126.1340	0.000	1	126.1340	0.000	1	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CC[5]O)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CC[5]O)(OC)(O)	O(CCO)	O(CH3)(CCO)	125.5471	0.599	8	125.5471	0.359	8	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CC[5]P)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CC[5]P)(OC)(O)	O(CCO)	O(CH3)(CCO)	121.6580	0.792	2	121.6580	0.627	2	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CC[5a]C)(OC)(O)	O(CCO)	O(CC3)(CCO)	C(CC[5a]C)(OC)(O)	O(CCO)	O(CC3)(CCO)	123.1470	0.027	2	123.1470	0.001	2	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CC[5a]C)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CC[5a]C)(OC)(O)	O(CCO)	O(CCHH)(CCO)	122.9764	1.925	8	122.9764	3.706	8	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CC[5a]C)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CC[5a]C)(OC)(O)	O(CCO)	O(CH3)(CCO)	123.6838	0.575	8	123.6838	0.330	8	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CC[5a]C[6])(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CC[5a]C[6])(OC)(O)	O(CCO)	O(CCHH)(CCO)	121.0410	0.000	1	121.0410	0.000	1	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CC[5a]C[6a])(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CC[5a]C[6a])(OC)(O)	O(CCO)	O(CH3)(CCO)	122.6560	0.000	1	122.6560	0.000	1	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CC[5a]H)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CC[5a]H)(OC)(O)	O(CCO)	O(CCHH)(CCO)	123.8440	1.660	5	123.8440	2.756	5	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CC[5a]H)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CC[5a]H)(OC)(O)	O(CCO)	O(CH3)(CCO)	124.0004	0.822	13	124.0004	0.675	13	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CC[5a]N)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CC[5a]N)(OC)(O)	O(CCO)	O(CCHH)(CCO)	125.0346	1.282	8	125.0346	1.642	8	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CC[5a]N)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CC[5a]N)(OC)(O)	O(CCO)	O(CH3)(CCO)	125.4377	0.286	4	125.4377	0.082	4	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CC[5a]O)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CC[5a]O)(OC)(O)	O(CCO)	O(CCHH)(CCO)	126.3791	0.376	8	126.3791	0.142	8	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CC[5a]O)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CC[5a]O)(OC)(O)	O(CCO)	O(CH3)(CCO)	124.8160	1.365	3	124.8160	1.863	3	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CC[5x3,5x5,20x6]C)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CC[5x3,5x5,20x6]C)(OC)(O)	O(CCO)	O(CCHH)(CCO)	124.4220	0.755	8	124.4220	0.570	8	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6,6]C)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CC[6,6]C)(OC)(O)	O(CCO)	O(CH3)(CCO)	122.6460	0.182	4	122.6460	0.033	4	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6,6]H)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CC[6,6]H)(OC)(O)	O(CCO)	O(CCHH)(CCO)	122.7900	0.000	1	122.7900	0.000	1	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6]Br)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CC[6]Br)(OC)(O)	O(CCO)	O(CH3)(CCO)	124.0110	0.000	1	124.0110	0.000	1	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6]C)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CC[6]C)(OC)(O)	O(CCO)	O(CCHH)(CCO)	122.9309	1.810	24	122.9309	3.277	24	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6]C)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CC[6]C)(OC)(O)	O(CCO)	O(CH3)(CCO)	123.5683	0.855	20	123.5683	0.731	20	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6]F)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CC[6]F)(OC)(O)	O(CCO)	O(CCHH)(CCO)	126.0430	0.000	1	126.0430	0.000	1	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6]H)(OC)(O)	O(CCO)	O(CCCH)(CCO)	C(CC[6]H)(OC)(O)	O(CCO)	O(CCCH)(CCO)	122.5750	0.000	1	122.5750	0.000	1	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6]H)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CC[6]H)(OC)(O)	O(CCO)	O(CCHH)(CCO)	122.8475	0.900	28	122.8475	0.809	28	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6]H)(OC)(O)	O(CCO)	O(CC[6a]HH)(CCO)	C(CC[6]H)(OC)(O)	O(CCO)	O(CC[6a]HH)(CCO)	122.8170	0.298	5	122.8170	0.089	5	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6]H)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CC[6]H)(OC)(O)	O(CCO)	O(CH3)(CCO)	122.3700	0.905	17	122.3700	0.819	17	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6]N)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CC[6]N)(OC)(O)	O(CCO)	O(CCHH)(CCO)	123.3303	0.927	3	123.3303	0.859	3	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6]N)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CC[6]N)(OC)(O)	O(CCO)	O(CH3)(CCO)	124.5405	0.013	2	124.5405	0.000	2	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6]O)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CC[6]O)(OC)(O)	O(CCO)	O(CH3)(CCO)	125.0203	1.293	4	125.0203	1.671	4	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6]P)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CC[6]P)(OC)(O)	O(CCO)	O(CH3)(CCO)	125.7130	0.000	1	125.7130	0.000	1	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6a]2)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CC[6a]2)(OC)(O)	O(CCO)	O(CCHH)(CCO)	122.3640	0.000	1	122.3640	0.000	1	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6a]C)(OC)(O)	O(CCO)	O(CC3)(CCO)	C(CC[6a]C)(OC)(O)	O(CCO)	O(CC3)(CCO)	123.8840	0.000	1	123.8840	0.000	1	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6a]C)(OC)(O)	O(CCO)	O(CCCH)(CCO)	C(CC[6a]C)(OC)(O)	O(CCO)	O(CCCH)(CCO)	124.1603	0.533	4	124.1603	0.284	4	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6a]C)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CC[6a]C)(OC)(O)	O(CCO)	O(CCHH)(CCO)	123.5453	1.306	39	123.5453	1.705	39	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6a]C)(OC)(O)	O(CCO)	O(CC[6a]HH)(CCO)	C(CC[6a]C)(OC)(O)	O(CCO)	O(CC[6a]HH)(CCO)	123.8441	0.510	11	123.8441	0.260	11	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6a]C)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CC[6a]C)(OC)(O)	O(CCO)	O(CH3)(CCO)	122.9699	1.261	72	122.9699	1.589	72	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6a]C[5])(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CC[6a]C[5])(OC)(O)	O(CCO)	O(CCHH)(CCO)	125.5200	0.000	1	125.5200	0.000	1	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6a]C[5])(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CC[6a]C[5])(OC)(O)	O(CCO)	O(CH3)(CCO)	123.8340	1.729	5	123.8340	2.990	5	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6a]C[6])(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CC[6a]C[6])(OC)(O)	O(CCO)	O(CCHH)(CCO)	122.1220	0.000	1	122.1220	0.000	1	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6a]C[6])(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CC[6a]C[6])(OC)(O)	O(CCO)	O(CH3)(CCO)	125.7790	0.000	1	125.7790	0.000	1	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6a]Ir)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CC[6a]Ir)(OC)(O)	O(CCO)	O(CCHH)(CCO)	125.6900	0.000	1	125.6900	0.000	1	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6a]Ir)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CC[6a]Ir)(OC)(O)	O(CCO)	O(CH3)(CCO)	124.5400	0.000	1	124.5400	0.000	1	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6a]N)(OC)(O)	O(CCO)	O(CC3)(CCO)	C(CC[6a]N)(OC)(O)	O(CCO)	O(CC3)(CCO)	126.1130	0.000	1	126.1130	0.000	1	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6a]N)(OC)(O)	O(CCO)	O(CCCH)(CCO)	C(CC[6a]N)(OC)(O)	O(CCO)	O(CCCH)(CCO)	126.5155	0.527	2	126.5155	0.278	2	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6a]N)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CC[6a]N)(OC)(O)	O(CCO)	O(CCHH)(CCO)	123.7754	1.507	29	123.7754	2.272	29	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6a]N)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CC[6a]N)(OC)(O)	O(CCO)	O(CH3)(CCO)	124.8810	0.679	17	124.8810	0.460	17	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6a]O)(OC)(O)	O(CCO)	O(CCCH)(CCO)	C(CC[6a]O)(OC)(O)	O(CCO)	O(CCCH)(CCO)	125.4310	0.000	1	125.4310	0.000	1	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6a]O)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CC[6a]O)(OC)(O)	O(CCO)	O(CCHH)(CCO)	126.5225	0.023	2	126.5225	0.001	2	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6a]O)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CC[6a]O)(OC)(O)	O(CCO)	O(CH3)(CCO)	125.9101	0.500	7	125.9101	0.250	7	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CClC)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CClC)(OC)(O)	O(CCO)	O(CCHH)(CCO)	124.1020	0.000	1	124.1020	0.000	1	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CClC)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CClC)(OC)(O)	O(CCO)	O(CH3)(CCO)	124.4898	0.826	5	124.4898	0.683	5	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CClN)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CClN)(OC)(O)	O(CCO)	O(CCHH)(CCO)	124.6478	0.579	4	124.6478	0.335	4	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CCoC)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CCoC)(OC)(O)	O(CCO)	O(CCHH)(CCO)	123.8050	0.407	2	123.8050	0.166	2	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CCoC)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CCoC)(OC)(O)	O(CCO)	O(CH3)(CCO)	122.2226	1.608	7	122.2226	2.586	7	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CCrC)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CCrC)(OC)(O)	O(CCO)	O(CH3)(CCO)	122.9780	0.000	1	122.9780	0.000	1	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CCrN)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CCrN)(OC)(O)	O(CCO)	O(CCHH)(CCO)	125.7990	0.000	1	125.7990	0.000	1	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CGeC)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CGeC)(OC)(O)	O(CCO)	O(CH3)(CCO)	124.5300	0.000	1	124.5300	0.000	1	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CGe[6]C)(OC)(O)	O(CCO)	O(CC3)(CCO)	C(CGe[6]C)(OC)(O)	O(CCO)	O(CC3)(CCO)	124.7480	0.000	1	124.7480	0.000	1	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CGe[6]C)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CGe[6]C)(OC)(O)	O(CCO)	O(CCHH)(CCO)	122.8285	0.968	2	122.8285	0.937	2	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CGe[6]C)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CGe[6]C)(OC)(O)	O(CCO)	O(CH3)(CCO)	123.1920	0.000	1	123.1920	0.000	1	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CHH)(OC)(O)	O(CCO)	O(CC[6]CC)(CCO)	C(CHH)(OC)(O)	O(CCO)	O(CC[6]CC)(CCO)	124.5030	0.000	1	124.5030	0.000	1	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CHN)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CHN)(OC)(O)	O(CCO)	O(CCHH)(CCO)	123.6652	1.391	9	123.6652	1.935	9	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CHN)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CHN)(OC)(O)	O(CCO)	O(CH3)(CCO)	122.9850	0.187	2	122.9850	0.035	2	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CHP)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CHP)(OC)(O)	O(CCO)	O(CH3)(CCO)	120.2070	0.000	1	120.2070	0.000	1	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CIP)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CIP)(OC)(O)	O(CCO)	O(CH3)(CCO)	122.1840	0.000	1	122.1840	0.000	1	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CIrC)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CIrC)(OC)(O)	O(CCO)	O(CCHH)(CCO)	122.7150	1.963	4	122.7150	3.854	4	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CIrC)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CIrC)(OC)(O)	O(CCO)	O(CH3)(CCO)	122.8669	1.025	52	122.8669	1.051	52	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CMoC)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CMoC)(OC)(O)	O(CCO)	O(CH3)(CCO)	122.9835	0.713	2	122.9835	0.509	2	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CNN)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CNN)(OC)(O)	O(CCO)	O(CCHH)(CCO)	125.4380	0.000	1	125.4380	0.000	1	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CNO)(OC)(O)	O(CCO)	O(CCCH)(CCO)	C(CNO)(OC)(O)	O(CCO)	O(CCCH)(CCO)	125.7960	0.000	1	125.7960	0.000	1	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CNO)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CNO)(OC)(O)	O(CCO)	O(CCHH)(CCO)	126.0584	0.555	38	126.0584	0.308	38	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CNO)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CNO)(OC)(O)	O(CCO)	O(CH3)(CCO)	125.9673	0.453	3	125.9673	0.206	3	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CNS)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CNS)(OC)(O)	O(CCO)	O(CCHH)(CCO)	125.2452	0.666	5	125.2452	0.443	5	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CN[4]C)(OC)(O)	O(CCO)	O(CC[6a]2H)(CCO)	C(CN[4]C)(OC)(O)	O(CCO)	O(CC[6a]2H)(CCO)	121.0380	0.000	1	121.0380	0.000	1	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CN[4]C)(OC)(O)	O(CCO)	O(CC[6a]HH)(CCO)	C(CN[4]C)(OC)(O)	O(CCO)	O(CC[6a]HH)(CCO)	121.4540	1.977	2	121.4540	3.909	2	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CN[4]C)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CN[4]C)(OC)(O)	O(CCO)	O(CH3)(CCO)	125.6740	0.000	1	125.6740	0.000	1	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CN[5]C)(OC)(O)	O(CCO)	O(CC3)(CCO)	C(CN[5]C)(OC)(O)	O(CCO)	O(CC3)(CCO)	126.9000	0.000	1	126.9000	0.000	1	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CN[5]C)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CN[5]C)(OC)(O)	O(CCO)	O(CCHH)(CCO)	125.4930	0.883	3	125.4930	0.780	3	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CN[5]C)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CN[5]C)(OC)(O)	O(CCO)	O(CH3)(CCO)	124.7614	1.194	14	124.7614	1.426	14	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CN[5]O)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CN[5]O)(OC)(O)	O(CCO)	O(CCHH)(CCO)	126.3340	0.000	1	126.3340	0.000	1	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CN[5a]C)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CN[5a]C)(OC)(O)	O(CCO)	O(CCHH)(CCO)	123.9057	1.083	6	123.9057	1.172	6	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CN[5a]C)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CN[5a]C)(OC)(O)	O(CCO)	O(CH3)(CCO)	126.6200	0.000	1	126.6200	0.000	1	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CN[5a]N)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CN[5a]N)(OC)(O)	O(CCO)	O(CCHH)(CCO)	125.2710	0.034	2	125.2710	0.001	2	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CN[6,6]C)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CN[6,6]C)(OC)(O)	O(CCO)	O(CH3)(CCO)	126.2000	0.000	1	126.2000	0.000	1	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CN[6]C)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CN[6]C)(OC)(O)	O(CCO)	O(CH3)(CCO)	125.0399	1.484	20	125.0399	2.202	20	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CN[6]O)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CN[6]O)(OC)(O)	O(CCO)	O(CCHH)(CCO)	125.8180	0.000	1	125.8180	0.000	1	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CNiC)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CNiC)(OC)(O)	O(CCO)	O(CH3)(CCO)	122.3350	0.982	8	122.3350	0.965	8	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(COO)(OC)(O)	O(CCO)	O(CC3)(CCO)	C(COO)(OC)(O)	O(CCO)	O(CC3)(CCO)	127.8533	0.128	12	127.8533	0.016	12	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(COO)(OC)(O)	O(CCO)	O(CCCH)(CCO)	C(COO)(OC)(O)	O(CCO)	O(CCCH)(CCO)	126.6505	0.144	2	126.6505	0.021	2	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(COO)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(COO)(OC)(O)	O(CCO)	O(CCHH)(CCO)	126.4831	0.692	15	126.4831	0.478	15	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(COO)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(COO)(OC)(O)	O(CCO)	O(CH3)(CCO)	125.6404	1.025	14	125.6404	1.051	14	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CPS)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CPS)(OC)(O)	O(CCO)	O(CH3)(CCO)	122.1910	0.000	1	122.1910	0.000	1	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CP[5]C)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CP[5]C)(OC)(O)	O(CCO)	O(CH3)(CCO)	122.1710	0.000	1	122.1710	0.000	1	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CP[6,6]C)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CP[6,6]C)(OC)(O)	O(CCO)	O(CH3)(CCO)	125.4780	0.000	1	125.4780	0.000	1	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CPdC)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CPdC)(OC)(O)	O(CCO)	O(CH3)(CCO)	123.2737	0.774	25	123.2737	0.600	25	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CPtC)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CPtC)(OC)(O)	O(CCO)	O(CH3)(CCO)	123.5612	1.124	6	123.5612	1.264	6	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CRhC)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CRhC)(OC)(O)	O(CCO)	O(CCHH)(CCO)	122.7540	0.974	7	122.7540	0.949	7	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CRhC)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CRhC)(OC)(O)	O(CCO)	O(CH3)(CCO)	122.8694	0.960	7	122.8694	0.923	7	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CRuC)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CRuC)(OC)(O)	O(CCO)	O(CCHH)(CCO)	122.3087	2.530	3	122.3087	6.399	3	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CRuC)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CRuC)(OC)(O)	O(CCO)	O(CH3)(CCO)	122.4730	1.020	7	122.4730	1.039	7	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CS[5]C)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CS[5]C)(OC)(O)	O(CCO)	O(CH3)(CCO)	121.7820	1.018	2	121.7820	1.037	2	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CS[6]C)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CS[6]C)(OC)(O)	O(CCO)	O(CCHH)(CCO)	122.0058	0.892	4	122.0058	0.796	4	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CSeC)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CSeC)(OC)(O)	O(CCO)	O(CCHH)(CCO)	123.4400	0.000	1	123.4400	0.000	1	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CSeC)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CSeC)(OC)(O)	O(CCO)	O(CH3)(CCO)	121.8224	4.238	14	121.8224	17.959	14	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CSiC)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CSiC)(OC)(O)	O(CCO)	O(CH3)(CCO)	123.3593	0.897	6	123.3593	0.805	6	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CSnC)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CSnC)(OC)(O)	O(CCO)	O(CCHH)(CCO)	123.2330	0.000	1	123.2330	0.000	1	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C-4:C-3:	C(CSnC)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CSnC)(OC)(O)	O(CCO)	O(CH3)(CCO)	122.2652	1.433	8	122.2652	2.054	8	123.5351	2.568	2501	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C[6]-4:C-3:	C(CC[6]H)(OC[6])(O)	O(CCO)	O(C[6]C[6]2H)(CCO)	C(CC[6]H)(OC[6])(O)	O(CCO)	O(C[6]C[6]2H)(CCO)	122.8830	0.000	1	122.8830	0.000	1	124.8250	7.543	2	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	C[6]-4:C-3:	C(CC[6a]O)(OC[6])(O)	O(CCO)	O(C[6]C[6]2H)(CCO)	C(CC[6a]O)(OC[6])(O)	O(CCO)	O(C[6]C[6]2H)(CCO)	126.7670	0.000	1	126.7670	0.000	1	124.8250	7.543	2	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	P-4:C-3:	C(CCH)(OP)(O)	O(CCO)	O(PC[6a]MoS)(CCO)	C(CCH)(OP)(O)	O(CCO)	O(PC[6a]MoS)(CCO)	123.6710	0.000	1	123.6710	0.000	1	123.6710	0.000	1	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	Si-4:C-3:	C(CC[6]P)(OSi)(O)	O(CCO)	O(SiC3)(CCO)	C(CC[6]P)(OSi)(O)	O(CCO)	O(SiC3)(CCO)	118.2595	0.144	2	118.2595	0.021	2	122.1270	19.953	4	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C-3:O-2:O-1:	C-3:	Si-4:C-3:	C(COO)(OSi)(O)	O(CCO)	O(SiC3)(CCO)	C(COO)(OSi)(O)	O(CCO)	O(SiC3)(CCO)	125.9945	0.084	2	125.9945	0.007	2	122.1270	19.953	4	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[5]-3:O-2:O-1:	C-3:	B-4:C-3:	C(C[5]N[5]2)(OB)(O)	O(CC[5]O)	O(BC[6a]3)(CC[5]O)	C(C[5]N[5]2)(OB)(O)	O(CC[5]O)	O(BC[6a]3)(CC[5]O)	130.6755	0.886	2	130.6755	0.785	2	130.6755	0.785	2	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[5]-3:O-2:O-1:	C-3:	C-4:C-3:	C(C[5]C[5,5]C[5])(OC)(O)	O(CC[5]O)	O(CC[6a]HH)(CC[5]O)	C(C[5]C[5,5]C[5])(OC)(O)	O(CC[5]O)	O(CC[6a]HH)(CC[5]O)	124.0549	0.777	8	124.0549	0.604	8	124.2570	0.575	15	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[5]-3:O-2:O-1:	C-3:	C-4:C-3:	C(C[5]C[5,6]C[5])(OC)(O)	O(CC[5]O)	O(CC[6a]HH)(CC[5]O)	C(C[5]C[5,6]C[5])(OC)(O)	O(CC[5]O)	O(CC[6a]HH)(CC[5]O)	124.8945	0.144	2	124.8945	0.021	2	124.2570	0.575	15	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[5]-3:O-2:O-1:	C-3:	C-4:C-3:	C(C[5]C[5]2)(OC)(O)	O(CC[5]O)	O(CC[6a]HH)(CC[5]O)	C(C[5]C[5]2)(OC)(O)	O(CC[5]O)	O(CC[6a]HH)(CC[5]O)	123.6240	0.912	2	123.6240	0.832	2	124.2570	0.575	15	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[5]-3:O-2:O-1:	C-3:	C-4:C-3:	C(C[5]C[5]N[5])(OC)(O)	O(CC[5]O)	O(CC[6]HH)(CC[5]O)	C(C[5]C[5]N[5])(OC)(O)	O(CC[5]O)	O(CC[6]HH)(CC[5]O)	124.5680	0.000	1	124.5680	0.000	1	124.2570	0.575	15	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[5]-3:O-2:O-1:	C-3:	C-4:C-3:	C(C[5]C[5]N[5])(OC)(O)	O(CC[5]O)	O(CC[6a]HH)(CC[5]O)	C(C[5]C[5]N[5])(OC)(O)	O(CC[5]O)	O(CC[6a]HH)(CC[5]O)	124.6950	0.000	1	124.6950	0.000	1	124.2570	0.575	15	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[5]-3:O-2:O-1:	C-3:	C-4:C-3:	C(C[5]C[5]O[5])(OC)(O)	O(CC[5]O)	O(CC[6a]2H)(CC[5]O)	C(C[5]C[5]O[5])(OC)(O)	O(CC[5]O)	O(CC[6a]2H)(CC[5]O)	125.1160	0.000	1	125.1160	0.000	1	124.2570	0.575	15	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[5]-3:O-2:O-1:	C-3:	C[6]-4:C-3:	C(C[5]C[5]2)(OC[6])(O)	O(CC[5]O)	O(C[6]C[5a,6]N[6]H)(CC[5]O)	C(C[5]C[5]2)(OC[6])(O)	O(CC[5]O)	O(C[6]C[5a,6]N[6]H)(CC[5]O)	118.2820	0.000	1	118.2820	0.000	1	121.0243	20.551	3	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[5]-3:O-2:O-1:	C-3:	C[6]-4:C-3:	C(C[5]C[5]2)(OC[6])(O)	O(CC[5]O)	O(C[6]C[6,6a]N[6]H)(CC[5]O)	C(C[5]C[5]2)(OC[6])(O)	O(CC[5]O)	O(C[6]C[6,6a]N[6]H)(CC[5]O)	118.5340	0.000	1	118.5340	0.000	1	121.0243	20.551	3	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[5]-3:O-2:O-1:	C-3:	C[6]-4:C-3:	C(C[5]C[5]N[5])(OC[6])(O)	O(CC[5]O)	O(C[6]C[6]2H)(CC[5]O)	C(C[5]C[5]N[5])(OC[6])(O)	O(CC[5]O)	O(C[6]C[6]2H)(CC[5]O)	126.2570	0.000	1	126.2570	0.000	1	121.0243	20.551	3	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[5a]-3:O-2:O-1:	C-3:	C-4:C-3:	C(C[5a]C[5a,6a]C[5a])(OC)(O)	O(CC[5a]O)	O(CC[6a]HH)(CC[5a]O)	C(C[5a]C[5a,6a]C[5a])(OC)(O)	O(CC[5a]O)	O(CC[6a]HH)(CC[5a]O)	122.0560	0.000	1	122.0560	0.000	1	123.5449	1.327	31	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[5a]-3:O-2:O-1:	C-3:	C-4:C-3:	C(C[5a]C[5a]2)(OC)(O)	O(CC[5a]O)	O(CC[6a]HH)(CC[5a]O)	C(C[5a]C[5a]2)(OC)(O)	O(CC[5a]O)	O(CC[6a]HH)(CC[5a]O)	122.8995	0.925	4	122.8995	0.856	4	123.5449	1.327	31	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[5a]-3:O-2:O-1:	C-3:	C-4:C-3:	C(C[5a]C[5a]2)(OC)(O)	O(CC[5a]O)	O(CC[6a]HP)(CC[5a]O)	C(C[5a]C[5a]2)(OC)(O)	O(CC[5a]O)	O(CC[6a]HP)(CC[5a]O)	124.0930	0.000	1	124.0930	0.000	1	123.5449	1.327	31	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[5a]-3:O-2:O-1:	C-3:	C-4:C-3:	C(C[5a]C[5a]N[5a])(OC)(O)	O(CC[5a]O)	O(CC[3]HH)(CC[5a]O)	C(C[5a]C[5a]N[5a])(OC)(O)	O(CC[5a]O)	O(CC[3]HH)(CC[5a]O)	124.9750	0.000	1	124.9750	0.000	1	123.5449	1.327	31	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[5a]-3:O-2:O-1:	C-3:	C-4:C-3:	C(C[5a]C[5a]N[5a])(OC)(O)	O(CC[5a]O)	O(CC[5a]HH)(CC[5a]O)	C(C[5a]C[5a]N[5a])(OC)(O)	O(CC[5a]O)	O(CC[5a]HH)(CC[5a]O)	124.9480	0.000	1	124.9480	0.000	1	123.5449	1.327	31	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[5a]-3:O-2:O-1:	C-3:	C-4:C-3:	C(C[5a]C[5a]N[5a])(OC)(O)	O(CC[5a]O)	O(CC[6]HH)(CC[5a]O)	C(C[5a]C[5a]N[5a])(OC)(O)	O(CC[5a]O)	O(CC[6]HH)(CC[5a]O)	123.1055	0.672	2	123.1055	0.452	2	123.5449	1.327	31	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[5a]-3:O-2:O-1:	C-3:	C-4:C-3:	C(C[5a]C[5a]N[5a])(OC)(O)	O(CC[5a]O)	O(CC[6a]HH)(CC[5a]O)	C(C[5a]C[5a]N[5a])(OC)(O)	O(CC[5a]O)	O(CC[6a]HH)(CC[5a]O)	123.5961	1.278	18	123.5961	1.634	18	123.5449	1.327	31	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[5a]-3:O-2:O-1:	C-3:	C-4:C-3:	C(C[5a]C[5a]S[5a])(OC)(O)	O(CC[5a]O)	O(CC[6]HH)(CC[5a]O)	C(C[5a]C[5a]S[5a])(OC)(O)	O(CC[5a]O)	O(CC[6]HH)(CC[5a]O)	123.9490	0.174	2	123.9490	0.030	2	123.5449	1.327	31	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[5a]-3:O-2:O-1:	C-3:	C-4:C-3:	C(C[5a]C[5a]S[5a])(OC)(O)	O(CC[5a]O)	O(CC[6a]CH)(CC[5a]O)	C(C[5a]C[5a]S[5a])(OC)(O)	O(CC[5a]O)	O(CC[6a]CH)(CC[5a]O)	123.3830	0.000	1	123.3830	0.000	1	123.5449	1.327	31	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[5a]-3:O-2:O-1:	C-3:	C[5]-4:C-3:	C(C[5a]C[5a,6]N[5a])(OC[5])(O)	O(CC[5a]O)	O(C[5]C[5]2H)(CC[5a]O)	C(C[5a]C[5a,6]N[5a])(OC[5])(O)	O(CC[5a]O)	O(C[5]C[5]2H)(CC[5a]O)	123.4310	0.000	1	123.4310	0.000	1	123.8787	0.576	6	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[5a]-3:O-2:O-1:	C-3:	C[5]-4:C-3:	C(C[5a]C[5a]N[5a])(OC[5])(O)	O(CC[5a]O)	O(C[5]C[3x5]C[5]H)(CC[5a]O)	C(C[5a]C[5a]N[5a])(OC[5])(O)	O(CC[5a]O)	O(C[5]C[3x5]C[5]H)(CC[5a]O)	123.8560	0.000	1	123.8560	0.000	1	123.8787	0.576	6	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[5a]-3:O-2:O-1:	C-3:	C[5]-4:C-3:	C(C[5a]C[5a]N[5a])(OC[5])(O)	O(CC[5a]O)	O(C[5]C[5,5,6]C[5]H)(CC[5a]O)	C(C[5a]C[5a]N[5a])(OC[5])(O)	O(CC[5a]O)	O(C[5]C[5,5,6]C[5]H)(CC[5a]O)	124.3080	0.000	1	124.3080	0.000	1	123.8787	0.576	6	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[5a]-3:O-2:O-1:	C-3:	C[5]-4:C-3:	C(C[5a]C[5a]N[5a])(OC[5])(O)	O(CC[5a]O)	O(C[5]C[5,5]C[5]H)(CC[5a]O)	C(C[5a]C[5a]N[5a])(OC[5])(O)	O(CC[5a]O)	O(C[5]C[5,5]C[5]H)(CC[5a]O)	122.7060	0.000	1	122.7060	0.000	1	123.8787	0.576	6	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[5a]-3:O-2:O-1:	C-3:	C[5]-4:C-3:	C(C[5a]C[5a]N[5a])(OC[5])(O)	O(CC[5a]O)	O(C[5]C[5]2H)(CC[5a]O)	C(C[5a]C[5a]N[5a])(OC[5])(O)	O(CC[5a]O)	O(C[5]C[5]2H)(CC[5a]O)	124.9230	0.000	1	124.9230	0.000	1	123.8787	0.576	6	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[5a]-3:O-2:O-1:	C-3:	C[5]-4:C-3:	C(C[5a]C[5a]O[5a])(OC[5])(O)	O(CC[5a]O)	O(C[5]C[5,6]C[5]C)(CC[5a]O)	C(C[5a]C[5a]O[5a])(OC[5])(O)	O(CC[5a]O)	O(C[5]C[5,6]C[5]C)(CC[5a]O)	124.0480	0.000	1	124.0480	0.000	1	123.8787	0.576	6	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[5a]-3:O-2:O-1:	C-3:	C[6]-4:C-3:	C(C[5a]C[5a,6]C[5a])(OC[6])(O)	O(CC[5a]O)	O(C[6]C[6]2H)(CC[5a]O)	C(C[5a]C[5a,6]C[5a])(OC[6])(O)	O(CC[5a]O)	O(C[6]C[6]2H)(CC[5a]O)	124.0210	0.000	1	124.0210	0.000	1	124.5095	1.472	11	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[5a]-3:O-2:O-1:	C-3:	C[6]-4:C-3:	C(C[5a]C[5a,6a]C[5a])(OC[6])(O)	O(CC[5a]O)	O(C[6]C[6]2H)(CC[5a]O)	C(C[5a]C[5a,6a]C[5a])(OC[6])(O)	O(CC[5a]O)	O(C[6]C[6]2H)(CC[5a]O)	123.4730	0.000	1	123.4730	0.000	1	124.5095	1.472	11	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[5a]-3:O-2:O-1:	C-3:	C[6]-4:C-3:	C(C[5a]C[5a]2)(OC[6])(O)	O(CC[5a]O)	O(C[6]C[6,6]C[6]H)(CC[5a]O)	C(C[5a]C[5a]2)(OC[6])(O)	O(CC[5a]O)	O(C[6]C[6,6]C[6]H)(CC[5a]O)	124.3480	0.592	3	124.3480	0.351	3	124.5095	1.472	11	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[5a]-3:O-2:O-1:	C-3:	C[6]-4:C-3:	C(C[5a]C[5a]2)(OC[6])(O)	O(CC[5a]O)	O(C[6]C[6]2H)(CC[5a]O)	C(C[5a]C[5a]2)(OC[6])(O)	O(CC[5a]O)	O(C[6]C[6]2H)(CC[5a]O)	124.2360	0.652	2	124.2360	0.425	2	124.5095	1.472	11	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[5a]-3:O-2:O-1:	C-3:	C[6]-4:C-3:	C(C[5a]C[5a]N[5a])(OC[6])(O)	O(CC[5a]O)	O(C[6]C[6]2H)(CC[5a]O)	C(C[5a]C[5a]N[5a])(OC[6])(O)	O(CC[5a]O)	O(C[6]C[6]2H)(CC[5a]O)	125.1485	1.864	4	125.1485	3.474	4	124.5095	1.472	11	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6]-3:O-2:O-1:	C-3:	C-4:C-3:	C(C[6]C[5,6]C[6])(OC)(O)	O(CC[6]O)	O(CC[6a]HH)(CC[6]O)	C(C[6]C[5,6]C[6])(OC)(O)	O(CC[6]O)	O(CC[6a]HH)(CC[6]O)	124.7100	0.000	1	124.7100	0.000	1	122.5225	1.413	17	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6]-3:O-2:O-1:	C-3:	C-4:C-3:	C(C[6]C[6,6]C[6])(OC)(O)	O(CC[6]O)	O(CC[6a]HH)(CC[6]O)	C(C[6]C[6,6]C[6])(OC)(O)	O(CC[6]O)	O(CC[6a]HH)(CC[6]O)	123.7710	0.458	4	123.7710	0.210	4	122.5225	1.413	17	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6]-3:O-2:O-1:	C-3:	C-4:C-3:	C(C[6]C[6]2)(OC)(O)	O(CC[6]O)	O(CC[6a]2H)(CC[6]O)	C(C[6]C[6]2)(OC)(O)	O(CC[6]O)	O(CC[6a]2H)(CC[6]O)	123.6880	0.000	1	123.6880	0.000	1	122.5225	1.413	17	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6]-3:O-2:O-1:	C-3:	C-4:C-3:	C(C[6]C[6]2)(OC)(O)	O(CC[6]O)	O(CC[6a]HH)(CC[6]O)	C(C[6]C[6]2)(OC)(O)	O(CC[6]O)	O(CC[6a]HH)(CC[6]O)	121.7636	0.571	11	121.7636	0.326	11	122.5225	1.413	17	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6]-3:O-2:O-1:	C-3:	C[6]-4:C-3:	C(C[6]C[6]2)(OC[6])(O)	O(CC[6]O)	O(C[6]C[6]2H)(CC[6]O)	C(C[6]C[6]2)(OC[6])(O)	O(CC[6]O)	O(C[6]C[6]2H)(CC[6]O)	122.3072	0.504	6	122.3072	0.254	6	122.5346	0.573	7	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6]-3:O-2:O-1:	C-3:	C[6]-4:C-3:	C(C[6]C[6]O[6])(OC[6])(O)	O(CC[6]O)	O(C[6]C[6]2H)(CC[6]O)	C(C[6]C[6]O[6])(OC[6])(O)	O(CC[6]O)	O(C[6]C[6]2H)(CC[6]O)	123.8990	0.000	1	123.8990	0.000	1	122.5346	0.573	7	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	B-4:C-3:	C(C[6a]C[6a]2)(OB)(O)	O(CC[6a]O)	O(BC[6a]2N)(CC[6a]O)	C(C[6a]C[6a]2)(OB)(O)	O(CC[6a]O)	O(BC[6a]2N)(CC[6a]O)	123.5440	0.000	1	123.5440	0.000	1	122.9510	5.167	11	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	B-4:C-3:	C(C[6a]C[6a]2)(OB)(O)	O(CC[6a]O)	O(BC[6a]2N[6])(CC[6a]O)	C(C[6a]C[6a]2)(OB)(O)	O(CC[6a]O)	O(BC[6a]2N[6])(CC[6a]O)	123.5540	0.000	1	123.5540	0.000	1	122.9510	5.167	11	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	B-4:C-3:	C(C[6a]C[6a]2)(OB)(O)	O(CC[6a]O)	O(BC[6a]3)(CC[6a]O)	C(C[6a]C[6a]2)(OB)(O)	O(CC[6a]O)	O(BC[6a]3)(CC[6a]O)	124.8947	0.603	3	124.8947	0.364	3	122.9510	5.167	11	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	B-4:C-3:	C(C[6a]C[6a]2)(OB)(O)	O(CC[6a]O)	O(BC[6a]OO)(CC[6a]O)	C(C[6a]C[6a]2)(OB)(O)	O(CC[6a]O)	O(BC[6a]OO)(CC[6a]O)	120.1900	0.315	4	120.1900	0.099	4	122.9510	5.167	11	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	B-4:C-3:	C(C[6a]C[6a]2)(OB)(O)	O(CC[6a]O)	O(BN[6]CC)(CC[6a]O)	C(C[6a]C[6a]2)(OB)(O)	O(CC[6a]O)	O(BN[6]CC)(CC[6a]O)	124.9595	0.173	2	124.9595	0.030	2	122.9510	5.167	11	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	B[3x6]-4:C-3:	C(C[6a]C[6a]2)(OB[3x6])(O)	O(CC[6a]O)	O(B[3x6]N[5a,6,6]3)(CC[6a]O)	C(C[6a]C[6a]2)(OB[3x6])(O)	O(CC[6a]O)	O(B[3x6]N[5a,6,6]3)(CC[6a]O)	123.1660	0.000	1	123.1660	0.000	1	123.1660	0.000	1	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	B[5]-4:C-3:	C(C[6a]C[6a]2)(OB[5])(O)	O(CC[6a]O)	O(B[5]N[5,6]N[5]H)(CC[6a]O)	C(C[6a]C[6a]2)(OB[5])(O)	O(CC[6a]O)	O(B[5]N[5,6]N[5]H)(CC[6a]O)	124.4000	0.000	1	124.4000	0.000	1	124.4000	0.000	1	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	B[6]-4:C-3:	C(C[6a]C[6a]2)(OB[6])(O)	O(CC[6a]O)	O(B[6]N[6]2F)(CC[6a]O)	C(C[6a]C[6a]2)(OB[6])(O)	O(CC[6a]O)	O(B[6]N[6]2F)(CC[6a]O)	124.6010	0.000	1	124.6010	0.000	1	124.6010	0.000	1	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C-4:C-3:	C(C[6a]C[5,6a]N[6a])(OC)(O)	O(CC[6a]O)	O(CC[6a]HH)(CC[6a]O)	C(C[6a]C[5,6a]N[6a])(OC)(O)	O(CC[6a]O)	O(CC[6a]HH)(CC[6a]O)	124.5260	0.000	1	124.5260	0.000	1	123.6577	1.993	545	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C-4:C-3:	C(C[6a]C[5a,6a]C[6a])(OC)(O)	O(CC[6a]O)	O(CC[6a]HH)(CC[6a]O)	C(C[6a]C[5a,6a]C[6a])(OC)(O)	O(CC[6a]O)	O(CC[6a]HH)(CC[6a]O)	122.0320	0.000	1	122.0320	0.000	1	123.6577	1.993	545	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C-4:C-3:	C(C[6a]C[6,6a]C[6a])(OC)(O)	O(CC[6a]O)	O(CC[6]HH)(CC[6a]O)	C(C[6a]C[6,6a]C[6a])(OC)(O)	O(CC[6a]O)	O(CC[6]HH)(CC[6a]O)	121.9580	0.000	1	121.9580	0.000	1	123.6577	1.993	545	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C-4:C-3:	C(C[6a]C[6a,6a]2)(OC)(O)	O(CC[6a]O)	O(CC[6a]HH)(CC[6a]O)	C(C[6a]C[6a,6a]2)(OC)(O)	O(CC[6a]O)	O(CC[6a]HH)(CC[6a]O)	123.2937	0.168	3	123.2937	0.028	3	123.6577	1.993	545	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C-4:C-3:	C(C[6a]C[6a,6a]C[6a])(OC)(O)	O(CC[6a]O)	O(CC[6a]CH)(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(OC)(O)	O(CC[6a]O)	O(CC[6a]CH)(CC[6a]O)	123.3560	0.000	1	123.3560	0.000	1	123.6577	1.993	545	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C-4:C-3:	C(C[6a]C[6a,6a]C[6a])(OC)(O)	O(CC[6a]O)	O(CC[6a]HH)(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(OC)(O)	O(CC[6a]O)	O(CC[6a]HH)(CC[6a]O)	122.5840	0.989	3	122.5840	0.978	3	123.6577	1.993	545	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C-4:C-3:	C(C[6a]C[6a,6a]C[6a])(OC)(O)	O(CC[6a]O)	O(CC[6a]HP)(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(OC)(O)	O(CC[6a]O)	O(CC[6a]HP)(CC[6a]O)	124.1870	0.000	1	124.1870	0.000	1	123.6577	1.993	545	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[3,5,6]CH)(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[3,5,6]CH)(CC[6a]O)	125.6340	0.000	1	125.6340	0.000	1	123.6577	1.993	545	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[3,5]CH)(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[3,5]CH)(CC[6a]O)	125.1030	0.000	1	125.1030	0.000	1	123.6577	1.993	545	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[3,5]HH)(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[3,5]HH)(CC[6a]O)	124.3570	0.000	1	124.3570	0.000	1	123.6577	1.993	545	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[3,6]HH)(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[3,6]HH)(CC[6a]O)	122.9890	0.170	3	122.9890	0.029	3	123.6577	1.993	545	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[3]2H)(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[3]2H)(CC[6a]O)	125.6175	1.077	2	125.6175	1.160	2	123.6577	1.993	545	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[3]CH)(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[3]CH)(CC[6a]O)	124.9024	0.469	5	124.9024	0.220	5	123.6577	1.993	545	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[3]C[6]H)(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[3]C[6]H)(CC[6a]O)	125.2770	0.000	1	125.2770	0.000	1	123.6577	1.993	545	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[3]HH)(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[3]HH)(CC[6a]O)	123.9998	0.991	15	123.9998	0.983	15	123.6577	1.993	545	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[3x4,3x6]HH)(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[3x4,3x6]HH)(CC[6a]O)	124.4280	0.344	2	124.4280	0.118	2	123.6577	1.993	545	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[3x6]HH)(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[3x6]HH)(CC[6a]O)	122.2960	0.160	2	122.2960	0.026	2	123.6577	1.993	545	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[4,5,6]HH)(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[4,5,6]HH)(CC[6a]O)	123.4590	0.000	1	123.4590	0.000	1	123.6577	1.993	545	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[4,5]CH)(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[4,5]CH)(CC[6a]O)	125.5630	0.000	1	125.5630	0.000	1	123.6577	1.993	545	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[4]CH)(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[4]CH)(CC[6a]O)	124.2905	0.388	4	124.2905	0.150	4	123.6577	1.993	545	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[4]HH)(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[4]HH)(CC[6a]O)	123.5647	0.859	7	123.5647	0.739	7	123.6577	1.993	545	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[5,5,6]HH)(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[5,5,6]HH)(CC[6a]O)	124.0800	0.000	1	124.0800	0.000	1	123.6577	1.993	545	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[5,5]HH)(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[5,5]HH)(CC[6a]O)	123.9720	0.000	1	123.9720	0.000	1	123.6577	1.993	545	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[5,6]CH)(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[5,6]CH)(CC[6a]O)	124.3295	0.674	2	124.3295	0.454	2	123.6577	1.993	545	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[5,6]C[5]H)(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[5,6]C[5]H)(CC[6a]O)	123.4530	0.000	1	123.4530	0.000	1	123.6577	1.993	545	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[5,6]HH)(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[5,6]HH)(CC[6a]O)	123.9500	0.908	6	123.9500	0.825	6	123.6577	1.993	545	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[5]2H)(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[5]2H)(CC[6a]O)	123.3597	0.293	3	123.3597	0.086	3	123.6577	1.993	545	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[5]CH)(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[5]CH)(CC[6a]O)	124.0672	0.791	21	124.0672	0.626	21	123.6577	1.993	545	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[5]C[6]H)(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[5]C[6]H)(CC[6a]O)	124.1010	0.000	1	124.1010	0.000	1	123.6577	1.993	545	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[5]HH)(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[5]HH)(CC[6a]O)	123.6584	1.027	92	123.6584	1.054	92	123.6577	1.993	545	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[5a]2C[6a])(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[5a]2C[6a])(CC[6a]O)	124.1910	1.282	3	124.1910	1.643	3	123.6577	1.993	545	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[5a]CH)(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[5a]CH)(CC[6a]O)	123.1892	1.175	5	123.1892	1.381	5	123.6577	1.993	545	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[5a]HH)(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[5a]HH)(CC[6a]O)	123.3178	0.721	13	123.3178	0.519	13	123.6577	1.993	545	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[6,6]CH)(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[6,6]CH)(CC[6a]O)	125.9410	0.000	1	125.9410	0.000	1	123.6577	1.993	545	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[6,6]C[6a]H)(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[6,6]C[6a]H)(CC[6a]O)	123.3330	1.377	2	123.3330	1.897	2	123.6577	1.993	545	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[6,6]HH)(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[6,6]HH)(CC[6a]O)	123.5090	0.703	4	123.5090	0.495	4	123.6577	1.993	545	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[6]2C)(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[6]2C)(CC[6a]O)	125.7110	0.000	1	125.7110	0.000	1	123.6577	1.993	545	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[6]2H)(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[6]2H)(CC[6a]O)	123.7973	0.715	12	123.7973	0.512	12	123.6577	1.993	545	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[6]CC)(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[6]CC)(CC[6a]O)	126.8800	0.000	1	126.8800	0.000	1	123.6577	1.993	545	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[6]CH)(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[6]CH)(CC[6a]O)	124.4695	1.333	11	124.4695	1.777	11	123.6577	1.993	545	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[6]HH)(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[6]HH)(CC[6a]O)	123.6921	1.807	66	123.6921	3.264	66	123.6577	1.993	545	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[6a]2H)(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[6a]2H)(CC[6a]O)	124.0188	0.636	13	124.0188	0.404	13	123.6577	1.993	545	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[6a]3)(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[6a]3)(CC[6a]O)	124.4450	0.000	1	124.4450	0.000	1	123.6577	1.993	545	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[6a]CC)(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[6a]CC)(CC[6a]O)	124.2205	0.570	8	124.2205	0.325	8	123.6577	1.993	545	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[6a]CF)(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[6a]CF)(CC[6a]O)	123.4690	0.000	1	123.4690	0.000	1	123.6577	1.993	545	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[6a]CH)(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[6a]CH)(CC[6a]O)	122.6550	2.709	53	122.6550	7.338	53	123.6577	1.993	545	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[6a]C[5]H)(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[6a]C[5]H)(CC[6a]O)	123.7910	0.878	5	123.7910	0.771	5	123.6577	1.993	545	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[6a]C[6]H)(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[6a]C[6]H)(CC[6a]O)	124.2337	0.787	3	124.2337	0.619	3	123.6577	1.993	545	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[6a]HH)(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[6a]HH)(CC[6a]O)	123.3998	0.982	112	123.3998	0.965	112	123.6577	1.993	545	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[6a]HP)(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)	O(CC[6a]HP)(CC[6a]O)	123.0400	0.000	1	123.0400	0.000	1	123.6577	1.993	545	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C-4:C-3:	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)	O(CN[5a]HH)(CC[6a]O)	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)	O(CN[5a]HH)(CC[6a]O)	122.8980	0.000	1	122.8980	0.000	1	123.6577	1.993	545	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C-4:C-3:	C(C[6a]C[6a]N[6a])(OC)(O)	O(CC[6a]O)	O(CC[5]HH)(CC[6a]O)	C(C[6a]C[6a]N[6a])(OC)(O)	O(CC[6a]O)	O(CC[5]HH)(CC[6a]O)	125.5420	0.000	1	125.5420	0.000	1	123.6577	1.993	545	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C-4:C-3:	C(C[6a]C[6a]N[6a])(OC)(O)	O(CC[6a]O)	O(CC[6]HH)(CC[6a]O)	C(C[6a]C[6a]N[6a])(OC)(O)	O(CC[6a]O)	O(CC[6]HH)(CC[6a]O)	124.7020	0.204	3	124.7020	0.042	3	123.6577	1.993	545	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C-4:C-3:	C(C[6a]C[6a]N[6a])(OC)(O)	O(CC[6a]O)	O(CC[6a]HH)(CC[6a]O)	C(C[6a]C[6a]N[6a])(OC)(O)	O(CC[6a]O)	O(CC[6a]HH)(CC[6a]O)	124.3107	0.682	39	124.3107	0.465	39	123.6577	1.993	545	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C[3,5]-4:C-3:	C(C[6a]C[6a]2)(OC[3,5])(O)	O(CC[6a]O)	O(C[3,5]C[3,5]2C[3])(CC[6a]O)	C(C[6a]C[6a]2)(OC[3,5])(O)	O(CC[6a]O)	O(C[3,5]C[3,5]2C[3])(CC[6a]O)	124.2845	0.496	2	124.2845	0.246	2	124.2845	0.246	2	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C[3]-4:C-3:	C(C[6a]C[6a]2)(OC[3])(O)	O(CC[6a]O)	O(C[3]C[3,6]C[3]H)(CC[6a]O)	C(C[6a]C[6a]2)(OC[3])(O)	O(CC[6a]O)	O(C[3]C[3,6]C[3]H)(CC[6a]O)	122.8330	0.000	1	122.8330	0.000	1	123.8145	0.915	4	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C[3]-4:C-3:	C(C[6a]C[6a]2)(OC[3])(O)	O(CC[6a]O)	O(C[3]C[3]2H)(CC[6a]O)	C(C[6a]C[6a]2)(OC[3])(O)	O(CC[6a]O)	O(C[3]C[3]2H)(CC[6a]O)	123.1550	0.000	1	123.1550	0.000	1	123.8145	0.915	4	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C[3]-4:C-3:	C(C[6a]C[6a]2)(OC[3])(O)	O(CC[6a]O)	O(C[3]C[3]3)(CC[6a]O)	C(C[6a]C[6a]2)(OC[3])(O)	O(CC[6a]O)	O(C[3]C[3]3)(CC[6a]O)	124.6350	0.014	2	124.6350	0.000	2	123.8145	0.915	4	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C[3x5,6]-4:C-3:	C(C[6a]C[6a]2)(OC[3x5,6])(O)	O(CC[6a]O)	O(C[3x5,6]C[3x5,6]C[5,5,6]C[5,5])(CC[6a]O)	C(C[6a]C[6a]2)(OC[3x5,6])(O)	O(CC[6a]O)	O(C[3x5,6]C[3x5,6]C[5,5,6]C[5,5])(CC[6a]O)	124.4260	0.000	1	124.4260	0.000	1	124.4260	0.000	1	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C[3x6]-4:C-3:	C(C[6a]C[6a,6a]2)(OC[3x6])(O)	O(CC[6a]O)	O(C[3x6]C[6,6]3)(CC[6a]O)	C(C[6a]C[6a,6a]2)(OC[3x6])(O)	O(CC[6a]O)	O(C[3x6]C[6,6]3)(CC[6a]O)	125.7670	0.000	1	125.7670	0.000	1	125.7670	0.000	1	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C[4]-4:C-3:	C(C[6a]C[6a]2)(OC[4])(O)	O(CC[6a]O)	O(C[4]C[4,6]C[4]H)(CC[6a]O)	C(C[6a]C[6a]2)(OC[4])(O)	O(CC[6a]O)	O(C[4]C[4,6]C[4]H)(CC[6a]O)	122.8557	2.037	3	122.8557	4.150	3	123.7546	1.018	23	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C[4]-4:C-3:	C(C[6a]C[6a]2)(OC[4])(O)	O(CC[6a]O)	O(C[4]C[4,6]C[5a]C[4])(CC[6a]O)	C(C[6a]C[6a]2)(OC[4])(O)	O(CC[6a]O)	O(C[4]C[4,6]C[5a]C[4])(CC[6a]O)	124.4730	0.000	1	124.4730	0.000	1	123.7546	1.018	23	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C[4]-4:C-3:	C(C[6a]C[6a]2)(OC[4])(O)	O(CC[6a]O)	O(C[4]C[4,6]C[6a]C[4])(CC[6a]O)	C(C[6a]C[6a]2)(OC[4])(O)	O(CC[6a]O)	O(C[4]C[4,6]C[6a]C[4])(CC[6a]O)	124.0092	0.798	9	124.0092	0.637	9	123.7546	1.018	23	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C[4]-4:C-3:	C(C[6a]C[6a]2)(OC[4])(O)	O(CC[6a]O)	O(C[4]C[4]2C)(CC[6a]O)	C(C[6a]C[6a]2)(OC[4])(O)	O(CC[6a]O)	O(C[4]C[4]2C)(CC[6a]O)	123.3990	0.000	1	123.3990	0.000	1	123.7546	1.018	23	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C[4]-4:C-3:	C(C[6a]C[6a]2)(OC[4])(O)	O(CC[6a]O)	O(C[4]C[4]2H)(CC[6a]O)	C(C[6a]C[6a]2)(OC[4])(O)	O(CC[6a]O)	O(C[4]C[4]2H)(CC[6a]O)	123.6774	0.860	7	123.6774	0.740	7	123.7546	1.018	23	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C[4]-4:C-3:	C(C[6a]C[6a]2)(OC[4])(O)	O(CC[6a]O)	O(C[4]C[6a]C[4]2)(CC[6a]O)	C(C[6a]C[6a]2)(OC[4])(O)	O(CC[6a]O)	O(C[4]C[6a]C[4]2)(CC[6a]O)	124.0455	0.829	2	124.0455	0.688	2	123.7546	1.018	23	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C[5,5,6]-4:C-3:	C(C[6a]C[6a]2)(OC[5,5,6])(O)	O(CC[6a]O)	O(C[5,5,6]C[3x5,6]C[5,5,6]C[5])(CC[6a]O)	C(C[6a]C[6a]2)(OC[5,5,6])(O)	O(CC[6a]O)	O(C[5,5,6]C[3x5,6]C[5,5,6]C[5])(CC[6a]O)	123.3270	0.000	1	123.3270	0.000	1	123.3270	0.000	1	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C[5,5]-4:C-3:	C(C[6a]C[6a]2)(OC[5,5])(O)	O(CC[6a]O)	O(C[5,5]C[5,5,6]2H)(CC[6a]O)	C(C[6a]C[6a]2)(OC[5,5])(O)	O(CC[6a]O)	O(C[5,5]C[5,5,6]2H)(CC[6a]O)	123.8918	0.517	5	123.8918	0.268	5	124.1011	0.387	7	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C[5,5]-4:C-3:	C(C[6a]C[6a]2)(OC[5,5])(O)	O(CC[6a]O)	O(C[5,5]C[5,5]2O[5])(CC[6a]O)	C(C[6a]C[6a]2)(OC[5,5])(O)	O(CC[6a]O)	O(C[5,5]C[5,5]2O[5])(CC[6a]O)	124.1340	0.000	1	124.1340	0.000	1	124.1011	0.387	7	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C[5,5]-4:C-3:	C(C[6a]C[6a]2)(OC[5,5])(O)	O(CC[6a]O)	O(C[5,5]C[5,5]C[5]2)(CC[6a]O)	C(C[6a]C[6a]2)(OC[5,5])(O)	O(CC[6a]O)	O(C[5,5]C[5,5]C[5]2)(CC[6a]O)	125.1150	0.000	1	125.1150	0.000	1	124.1011	0.387	7	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C[5,6,6]-4:C-3:	C(C[6a]C[6a]2)(OC[5,6,6])(O)	O(CC[6a]O)	O(C[5,6,6]C[5,6,6a]2C[5,6,6])(CC[6a]O)	C(C[6a]C[6a]2)(OC[5,6,6])(O)	O(CC[6a]O)	O(C[5,6,6]C[5,6,6a]2C[5,6,6])(CC[6a]O)	122.4270	0.888	6	122.4270	0.789	6	122.4270	0.789	6	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C[5,6]-4:C-3:	C(C[6a]C[6a]2)(OC[5,6])(O)	O(CC[6a]O)	O(C[5,6]C[3x5,6]C[5,5,6]H)(CC[6a]O)	C(C[6a]C[6a]2)(OC[5,6])(O)	O(CC[6a]O)	O(C[5,6]C[3x5,6]C[5,5,6]H)(CC[6a]O)	125.5300	0.000	1	125.5300	0.000	1	124.1829	1.061	17	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C[5,6]-4:C-3:	C(C[6a]C[6a]2)(OC[5,6])(O)	O(CC[6a]O)	O(C[5,6]C[5,5,6]2C)(CC[6a]O)	C(C[6a]C[6a]2)(OC[5,6])(O)	O(CC[6a]O)	O(C[5,6]C[5,5,6]2C)(CC[6a]O)	125.2460	0.000	1	125.2460	0.000	1	124.1829	1.061	17	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C[5,6]-4:C-3:	C(C[6a]C[6a]2)(OC[5,6])(O)	O(CC[6a]O)	O(C[5,6]C[5,5,6]C[5,6]H)(CC[6a]O)	C(C[6a]C[6a]2)(OC[5,6])(O)	O(CC[6a]O)	O(C[5,6]C[5,5,6]C[5,6]H)(CC[6a]O)	123.7382	1.144	6	123.7382	1.309	6	124.1829	1.061	17	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C[5,6]-4:C-3:	C(C[6a]C[6a]2)(OC[5,6])(O)	O(CC[6a]O)	O(C[5,6]C[5,6,6]C[5,6]H)(CC[6a]O)	C(C[6a]C[6a]2)(OC[5,6])(O)	O(CC[6a]O)	O(C[5,6]C[5,6,6]C[5,6]H)(CC[6a]O)	123.5300	0.389	5	123.5300	0.152	5	124.1829	1.061	17	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C[5,6]-4:C-3:	C(C[6a]C[6a]2)(OC[5,6])(O)	O(CC[6a]O)	O(C[5,6]C[5,6]C[5]C[6])(CC[6a]O)	C(C[6a]C[6a]2)(OC[5,6])(O)	O(CC[6a]O)	O(C[5,6]C[5,6]C[5]C[6])(CC[6a]O)	124.9467	0.384	3	124.9467	0.147	3	124.1829	1.061	17	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C[5,6]-4:C-3:	C(C[6a]C[6a]2)(OC[5,6])(O)	O(CC[6a]O)	O(C[5,6]C[6,6a]C[5,6]C[5])(CC[6a]O)	C(C[6a]C[6a]2)(OC[5,6])(O)	O(CC[6a]O)	O(C[5,6]C[6,6a]C[5,6]C[5])(CC[6a]O)	125.4150	0.000	1	125.4150	0.000	1	124.1829	1.061	17	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C[5]-4:C-3:	C(C[6a]C[6a]2)(OC[5])(O)	O(CC[6a]O)	O(C[5]C[3,5]C[5]H)(CC[6a]O)	C(C[6a]C[6a]2)(OC[5])(O)	O(CC[6a]O)	O(C[5]C[3,5]C[5]H)(CC[6a]O)	123.8540	0.000	1	123.8540	0.000	1	123.7689	0.939	167	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C[5]-4:C-3:	C(C[6a]C[6a]2)(OC[5])(O)	O(CC[6a]O)	O(C[5]C[4,5,5]C[5]H)(CC[6a]O)	C(C[6a]C[6a]2)(OC[5])(O)	O(CC[6a]O)	O(C[5]C[4,5,5]C[5]H)(CC[6a]O)	123.8724	0.323	5	123.8724	0.104	5	123.7689	0.939	167	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C[5]-4:C-3:	C(C[6a]C[6a]2)(OC[5])(O)	O(CC[6a]O)	O(C[5]C[4,5,6]C[5]H)(CC[6a]O)	C(C[6a]C[6a]2)(OC[5])(O)	O(CC[6a]O)	O(C[5]C[4,5,6]C[5]H)(CC[6a]O)	125.1165	0.387	2	125.1165	0.150	2	123.7689	0.939	167	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C[5]-4:C-3:	C(C[6a]C[6a]2)(OC[5])(O)	O(CC[6a]O)	O(C[5]C[5,5,6]C[5,6a]H)(CC[6a]O)	C(C[6a]C[6a]2)(OC[5])(O)	O(CC[6a]O)	O(C[5]C[5,5,6]C[5,6a]H)(CC[6a]O)	125.2290	0.000	1	125.2290	0.000	1	123.7689	0.939	167	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C[5]-4:C-3:	C(C[6a]C[6a]2)(OC[5])(O)	O(CC[6a]O)	O(C[5]C[5,5,6]C[5]H)(CC[6a]O)	C(C[6a]C[6a]2)(OC[5])(O)	O(CC[6a]O)	O(C[5]C[5,5,6]C[5]H)(CC[6a]O)	124.4647	0.377	3	124.4647	0.142	3	123.7689	0.939	167	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C[5]-4:C-3:	C(C[6a]C[6a]2)(OC[5])(O)	O(CC[6a]O)	O(C[5]C[5,5]C[5]H)(CC[6a]O)	C(C[6a]C[6a]2)(OC[5])(O)	O(CC[6a]O)	O(C[5]C[5,5]C[5]H)(CC[6a]O)	123.2050	0.869	16	123.2050	0.755	16	123.7689	0.939	167	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C[5]-4:C-3:	C(C[6a]C[6a]2)(OC[5])(O)	O(CC[6a]O)	O(C[5]C[5,5]N[5]H)(CC[6a]O)	C(C[6a]C[6a]2)(OC[5])(O)	O(CC[6a]O)	O(C[5]C[5,5]N[5]H)(CC[6a]O)	122.4990	0.000	1	122.4990	0.000	1	123.7689	0.939	167	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C[5]-4:C-3:	C(C[6a]C[6a]2)(OC[5])(O)	O(CC[6a]O)	O(C[5]C[5,5]O[5]H)(CC[6a]O)	C(C[6a]C[6a]2)(OC[5])(O)	O(CC[6a]O)	O(C[5]C[5,5]O[5]H)(CC[6a]O)	123.5725	0.180	2	123.5725	0.033	2	123.7689	0.939	167	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C[5]-4:C-3:	C(C[6a]C[6a]2)(OC[5])(O)	O(CC[6a]O)	O(C[5]C[5,6,6]C[5,6]H)(CC[6a]O)	C(C[6a]C[6a]2)(OC[5])(O)	O(CC[6a]O)	O(C[5]C[5,6,6]C[5,6]H)(CC[6a]O)	124.0060	0.000	1	124.0060	0.000	1	123.7689	0.939	167	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C[5]-4:C-3:	C(C[6a]C[6a]2)(OC[5])(O)	O(CC[6a]O)	O(C[5]C[5,6,6]C[5]H)(CC[6a]O)	C(C[6a]C[6a]2)(OC[5])(O)	O(CC[6a]O)	O(C[5]C[5,6,6]C[5]H)(CC[6a]O)	124.7380	0.000	1	124.7380	0.000	1	123.7689	0.939	167	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C[5]-4:C-3:	C(C[6a]C[6a]2)(OC[5])(O)	O(CC[6a]O)	O(C[5]C[5,6]C[5]C)(CC[6a]O)	C(C[6a]C[6a]2)(OC[5])(O)	O(CC[6a]O)	O(C[5]C[5,6]C[5]C)(CC[6a]O)	123.9100	0.000	1	123.9100	0.000	1	123.7689	0.939	167	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C[5]-4:C-3:	C(C[6a]C[6a]2)(OC[5])(O)	O(CC[6a]O)	O(C[5]C[5,6]C[5]H)(CC[6a]O)	C(C[6a]C[6a]2)(OC[5])(O)	O(CC[6a]O)	O(C[5]C[5,6]C[5]H)(CC[6a]O)	124.1641	0.987	15	124.1641	0.975	15	123.7689	0.939	167	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C[5]-4:C-3:	C(C[6a]C[6a]2)(OC[5])(O)	O(CC[6a]O)	O(C[5]C[5,6a]2C)(CC[6a]O)	C(C[6a]C[6a]2)(OC[5])(O)	O(CC[6a]O)	O(C[5]C[5,6a]2C)(CC[6a]O)	124.4770	0.000	1	124.4770	0.000	1	123.7689	0.939	167	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C[5]-4:C-3:	C(C[6a]C[6a]2)(OC[5])(O)	O(CC[6a]O)	O(C[5]C[5,6a]C[5]C)(CC[6a]O)	C(C[6a]C[6a]2)(OC[5])(O)	O(CC[6a]O)	O(C[5]C[5,6a]C[5]C)(CC[6a]O)	122.9033	1.029	7	122.9033	1.059	7	123.7689	0.939	167	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C[5]-4:C-3:	C(C[6a]C[6a]2)(OC[5])(O)	O(CC[6a]O)	O(C[5]C[5,6a]C[5]H)(CC[6a]O)	C(C[6a]C[6a]2)(OC[5])(O)	O(CC[6a]O)	O(C[5]C[5,6a]C[5]H)(CC[6a]O)	123.6635	0.930	6	123.6635	0.864	6	123.7689	0.939	167	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C[5]-4:C-3:	C(C[6a]C[6a]2)(OC[5])(O)	O(CC[6a]O)	O(C[5]C[5,6a]C[6a]O[5])(CC[6a]O)	C(C[6a]C[6a]2)(OC[5])(O)	O(CC[6a]O)	O(C[5]C[5,6a]C[6a]O[5])(CC[6a]O)	124.6830	0.000	1	124.6830	0.000	1	123.7689	0.939	167	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C[5]-4:C-3:	C(C[6a]C[6a]2)(OC[5])(O)	O(CC[6a]O)	O(C[5]C[5,6a]O[5]H)(CC[6a]O)	C(C[6a]C[6a]2)(OC[5])(O)	O(CC[6a]O)	O(C[5]C[5,6a]O[5]H)(CC[6a]O)	120.9850	0.000	1	120.9850	0.000	1	123.7689	0.939	167	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C[5]-4:C-3:	C(C[6a]C[6a]2)(OC[5])(O)	O(CC[6a]O)	O(C[5]C[5]2C)(CC[6a]O)	C(C[6a]C[6a]2)(OC[5])(O)	O(CC[6a]O)	O(C[5]C[5]2C)(CC[6a]O)	125.2927	0.162	3	125.2927	0.026	3	123.7689	0.939	167	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C[5]-4:C-3:	C(C[6a]C[6a]2)(OC[5])(O)	O(CC[6a]O)	O(C[5]C[5]2H)(CC[6a]O)	C(C[6a]C[6a]2)(OC[5])(O)	O(CC[6a]O)	O(C[5]C[5]2H)(CC[6a]O)	123.7415	0.900	89	123.7415	0.810	89	123.7689	0.939	167	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C[5]-4:C-3:	C(C[6a]C[6a]2)(OC[5])(O)	O(CC[6a]O)	O(C[5]C[5]2Si)(CC[6a]O)	C(C[6a]C[6a]2)(OC[5])(O)	O(CC[6a]O)	O(C[5]C[5]2Si)(CC[6a]O)	126.5120	0.000	1	126.5120	0.000	1	123.7689	0.939	167	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C[5]-4:C-3:	C(C[6a]C[6a]2)(OC[5])(O)	O(CC[6a]O)	O(C[5]C[5]N[5]H)(CC[6a]O)	C(C[6a]C[6a]2)(OC[5])(O)	O(CC[6a]O)	O(C[5]C[5]N[5]H)(CC[6a]O)	123.7348	0.227	4	123.7348	0.051	4	123.7689	0.939	167	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C[5]-4:C-3:	C(C[6a]C[6a]2)(OC[5])(O)	O(CC[6a]O)	O(C[5]C[5]O[5]C)(CC[6a]O)	C(C[6a]C[6a]2)(OC[5])(O)	O(CC[6a]O)	O(C[5]C[5]O[5]C)(CC[6a]O)	124.6990	0.000	1	124.6990	0.000	1	123.7689	0.939	167	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C[5]-4:C-3:	C(C[6a]C[6a]2)(OC[5])(O)	O(CC[6a]O)	O(C[5]C[5]O[5]H)(CC[6a]O)	C(C[6a]C[6a]2)(OC[5])(O)	O(CC[6a]O)	O(C[5]C[5]O[5]H)(CC[6a]O)	123.4575	0.288	4	123.4575	0.083	4	123.7689	0.939	167	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C[6,6]-4:C-3:	C(C[6a]C[6a]2)(OC[6,6])(O)	O(CC[6a]O)	O(C[6,6]C[3x6]2H)(CC[6a]O)	C(C[6a]C[6a]2)(OC[6,6])(O)	O(CC[6a]O)	O(C[6,6]C[3x6]2H)(CC[6a]O)	123.1766	0.627	63	123.1766	0.393	63	123.4363	0.934	79	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C[6,6]-4:C-3:	C(C[6a]C[6a]2)(OC[6,6])(O)	O(CC[6a]O)	O(C[6,6]C[3x6]C[6,6]H)(CC[6a]O)	C(C[6a]C[6a]2)(OC[6,6])(O)	O(CC[6a]O)	O(C[6,6]C[3x6]C[6,6]H)(CC[6a]O)	123.0830	0.666	2	123.0830	0.444	2	123.4363	0.934	79	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C[6,6]-4:C-3:	C(C[6a]C[6a]2)(OC[6,6])(O)	O(CC[6a]O)	O(C[6,6]C[3x6]O[6,6]H)(CC[6a]O)	C(C[6a]C[6a]2)(OC[6,6])(O)	O(CC[6a]O)	O(C[6,6]C[3x6]O[6,6]H)(CC[6a]O)	122.3570	0.000	1	122.3570	0.000	1	123.4363	0.934	79	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C[6,6]-4:C-3:	C(C[6a]C[6a]2)(OC[6,6])(O)	O(CC[6a]O)	O(C[6,6]C[4,5,6,6]C[6,6]H)(CC[6a]O)	C(C[6a]C[6a]2)(OC[6,6])(O)	O(CC[6a]O)	O(C[6,6]C[4,5,6,6]C[6,6]H)(CC[6a]O)	123.4400	0.000	1	123.4400	0.000	1	123.4363	0.934	79	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C[6,6]-4:C-3:	C(C[6a]C[6a]2)(OC[6,6])(O)	O(CC[6a]O)	O(C[6,6]C[4,6,6]C[6,6]H)(CC[6a]O)	C(C[6a]C[6a]2)(OC[6,6])(O)	O(CC[6a]O)	O(C[6,6]C[4,6,6]C[6,6]H)(CC[6a]O)	125.3793	0.833	7	125.3793	0.695	7	123.4363	0.934	79	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C[6,6]-4:C-3:	C(C[6a]C[6a]2)(OC[6,6])(O)	O(CC[6a]O)	O(C[6,6]C[4x6]C[6,6]H)(CC[6a]O)	C(C[6a]C[6a]2)(OC[6,6])(O)	O(CC[6a]O)	O(C[6,6]C[4x6]C[6,6]H)(CC[6a]O)	126.6150	0.000	1	126.6150	0.000	1	123.4363	0.934	79	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C[6,6]-4:C-3:	C(C[6a]C[6a]2)(OC[6,6])(O)	O(CC[6a]O)	O(C[6,6]C[5,3x6]C[3x6]H)(CC[6a]O)	C(C[6a]C[6a]2)(OC[6,6])(O)	O(CC[6a]O)	O(C[6,6]C[5,3x6]C[3x6]H)(CC[6a]O)	123.1050	0.000	1	123.1050	0.000	1	123.4363	0.934	79	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C[6,6]-4:C-3:	C(C[6a]C[6a]2)(OC[6,6])(O)	O(CC[6a]O)	O(C[6,6]C[5,6,6]C[6]2)(CC[6a]O)	C(C[6a]C[6a]2)(OC[6,6])(O)	O(CC[6a]O)	O(C[6,6]C[5,6,6]C[6]2)(CC[6a]O)	123.6955	0.148	2	123.6955	0.022	2	123.4363	0.934	79	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C[6,6]-4:C-3:	C(C[6a]C[6a]2)(OC[6,6])(O)	O(CC[6a]O)	O(C[6,6]C[6,6]2H)(CC[6a]O)	C(C[6a]C[6a]2)(OC[6,6])(O)	O(CC[6a]O)	O(C[6,6]C[6,6]2H)(CC[6a]O)	124.6080	0.000	1	124.6080	0.000	1	123.4363	0.934	79	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C[6]-4:C-3:	C(C[6a]C[6a,6a]2)(OC[6])(O)	O(CC[6a]O)	O(C[6]C[6]2C)(CC[6a]O)	C(C[6a]C[6a,6a]2)(OC[6])(O)	O(CC[6a]O)	O(C[6]C[6]2C)(CC[6a]O)	125.7270	0.000	1	125.7270	0.000	1	123.8239	1.479	339	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C[6]-4:C-3:	C(C[6a]C[6a,6a]2)(OC[6])(O)	O(CC[6a]O)	O(C[6]C[6]2H)(CC[6a]O)	C(C[6a]C[6a,6a]2)(OC[6])(O)	O(CC[6a]O)	O(C[6]C[6]2H)(CC[6a]O)	124.9265	0.131	2	124.9265	0.017	2	123.8239	1.479	339	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C[6]-4:C-3:	C(C[6a]C[6a,6a]C[6a])(OC[6])(O)	O(CC[6a]O)	O(C[6]C[5,6]C[6]H)(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(OC[6])(O)	O(CC[6a]O)	O(C[6]C[5,6]C[6]H)(CC[6a]O)	122.3012	0.401	4	122.3012	0.161	4	123.8239	1.479	339	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C[6]-4:C-3:	C(C[6a]C[6a,6a]C[6a])(OC[6])(O)	O(CC[6a]O)	O(C[6]C[6,6a]C[6]H)(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(OC[6])(O)	O(CC[6a]O)	O(C[6]C[6,6a]C[6]H)(CC[6a]O)	122.6720	0.569	3	122.6720	0.324	3	123.8239	1.479	339	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C[6]-4:C-3:	C(C[6a]C[6a,6a]C[6a])(OC[6])(O)	O(CC[6a]O)	O(C[6]C[6]2H)(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(OC[6])(O)	O(CC[6a]O)	O(C[6]C[6]2H)(CC[6a]O)	122.5930	0.000	1	122.5930	0.000	1	123.8239	1.479	339	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C[6]-4:C-3:	C(C[6a]C[6a]2)(OC[6])(O)	O(CC[6a]O)	O(C[6]C[3,6]C[6]H)(CC[6a]O)	C(C[6a]C[6a]2)(OC[6])(O)	O(CC[6a]O)	O(C[6]C[3,6]C[6]H)(CC[6a]O)	124.2150	0.367	3	124.2150	0.134	3	123.8239	1.479	339	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C[6]-4:C-3:	C(C[6a]C[6a]2)(OC[6])(O)	O(CC[6a]O)	O(C[6]C[5,5,6]C[6]H)(CC[6a]O)	C(C[6a]C[6a]2)(OC[6])(O)	O(CC[6a]O)	O(C[6]C[5,5,6]C[6]H)(CC[6a]O)	123.2035	0.115	2	123.2035	0.013	2	123.8239	1.479	339	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C[6]-4:C-3:	C(C[6a]C[6a]2)(OC[6])(O)	O(CC[6a]O)	O(C[6]C[5,6,6]C[5,6]H)(CC[6a]O)	C(C[6a]C[6a]2)(OC[6])(O)	O(CC[6a]O)	O(C[6]C[5,6,6]C[5,6]H)(CC[6a]O)	122.3380	0.000	1	122.3380	0.000	1	123.8239	1.479	339	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C[6]-4:C-3:	C(C[6a]C[6a]2)(OC[6])(O)	O(CC[6a]O)	O(C[6]C[5,6,6]C[6]H)(CC[6a]O)	C(C[6a]C[6a]2)(OC[6])(O)	O(CC[6a]O)	O(C[6]C[5,6,6]C[6]H)(CC[6a]O)	124.9102	0.980	5	124.9102	0.960	5	123.8239	1.479	339	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C[6]-4:C-3:	C(C[6a]C[6a]2)(OC[6])(O)	O(CC[6a]O)	O(C[6]C[5,6]2H)(CC[6a]O)	C(C[6a]C[6a]2)(OC[6])(O)	O(CC[6a]O)	O(C[6]C[5,6]2H)(CC[6a]O)	123.3494	0.374	5	123.3494	0.140	5	123.8239	1.479	339	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C[6]-4:C-3:	C(C[6a]C[6a]2)(OC[6])(O)	O(CC[6a]O)	O(C[6]C[5,6]C[6,6]H)(CC[6a]O)	C(C[6a]C[6a]2)(OC[6])(O)	O(CC[6a]O)	O(C[6]C[5,6]C[6,6]H)(CC[6a]O)	124.5373	0.819	3	124.5373	0.670	3	123.8239	1.479	339	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C[6]-4:C-3:	C(C[6a]C[6a]2)(OC[6])(O)	O(CC[6a]O)	O(C[6]C[5,6]C[6]H)(CC[6a]O)	C(C[6a]C[6a]2)(OC[6])(O)	O(CC[6a]O)	O(C[6]C[5,6]C[6]H)(CC[6a]O)	123.9506	1.068	41	123.9506	1.141	41	123.8239	1.479	339	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C[6]-4:C-3:	C(C[6a]C[6a]2)(OC[6])(O)	O(CC[6a]O)	O(C[6]C[5a,6]C[6,6]H)(CC[6a]O)	C(C[6a]C[6a]2)(OC[6])(O)	O(CC[6a]O)	O(C[6]C[5a,6]C[6,6]H)(CC[6a]O)	124.4510	0.000	1	124.4510	0.000	1	123.8239	1.479	339	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C[6]-4:C-3:	C(C[6a]C[6a]2)(OC[6])(O)	O(CC[6a]O)	O(C[6]C[5a,6]C[6]H)(CC[6a]O)	C(C[6a]C[6a]2)(OC[6])(O)	O(CC[6a]O)	O(C[6]C[5a,6]C[6]H)(CC[6a]O)	123.4280	0.000	1	123.4280	0.000	1	123.8239	1.479	339	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C[6]-4:C-3:	C(C[6a]C[6a]2)(OC[6])(O)	O(CC[6a]O)	O(C[6]C[6,6]C[6]C)(CC[6a]O)	C(C[6a]C[6a]2)(OC[6])(O)	O(CC[6a]O)	O(C[6]C[6,6]C[6]C)(CC[6a]O)	126.4000	0.000	1	126.4000	0.000	1	123.8239	1.479	339	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C[6]-4:C-3:	C(C[6a]C[6a]2)(OC[6])(O)	O(CC[6a]O)	O(C[6]C[6,6]C[6]H)(CC[6a]O)	C(C[6a]C[6a]2)(OC[6])(O)	O(CC[6a]O)	O(C[6]C[6,6]C[6]H)(CC[6a]O)	124.2735	0.742	31	124.2735	0.551	31	123.8239	1.479	339	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C[6]-4:C-3:	C(C[6a]C[6a]2)(OC[6])(O)	O(CC[6a]O)	O(C[6]C[6,6a]C[3,6]H)(CC[6a]O)	C(C[6a]C[6a]2)(OC[6])(O)	O(CC[6a]O)	O(C[6]C[6,6a]C[3,6]H)(CC[6a]O)	123.5570	0.000	1	123.5570	0.000	1	123.8239	1.479	339	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C[6]-4:C-3:	C(C[6a]C[6a]2)(OC[6])(O)	O(CC[6a]O)	O(C[6]C[6,6a]C[3x6]H)(CC[6a]O)	C(C[6a]C[6a]2)(OC[6])(O)	O(CC[6a]O)	O(C[6]C[6,6a]C[3x6]H)(CC[6a]O)	124.5200	0.000	1	124.5200	0.000	1	123.8239	1.479	339	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C[6]-4:C-3:	C(C[6a]C[6a]2)(OC[6])(O)	O(CC[6a]O)	O(C[6]C[6,6a]C[5,6]H)(CC[6a]O)	C(C[6a]C[6a]2)(OC[6])(O)	O(CC[6a]O)	O(C[6]C[6,6a]C[5,6]H)(CC[6a]O)	123.9190	0.000	1	123.9190	0.000	1	123.8239	1.479	339	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C[6]-4:C-3:	C(C[6a]C[6a]2)(OC[6])(O)	O(CC[6a]O)	O(C[6]C[6,6a]C[6,6]H)(CC[6a]O)	C(C[6a]C[6a]2)(OC[6])(O)	O(CC[6a]O)	O(C[6]C[6,6a]C[6,6]H)(CC[6a]O)	123.4230	0.494	2	123.4230	0.244	2	123.8239	1.479	339	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C[6]-4:C-3:	C(C[6a]C[6a]2)(OC[6])(O)	O(CC[6a]O)	O(C[6]C[6,6a]C[6]H)(CC[6a]O)	C(C[6a]C[6a]2)(OC[6])(O)	O(CC[6a]O)	O(C[6]C[6,6a]C[6]H)(CC[6a]O)	124.1850	2.653	7	124.1850	7.037	7	123.8239	1.479	339	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C[6]-4:C-3:	C(C[6a]C[6a]2)(OC[6])(O)	O(CC[6a]O)	O(C[6]C[6]2C)(CC[6a]O)	C(C[6a]C[6a]2)(OC[6])(O)	O(CC[6a]O)	O(C[6]C[6]2C)(CC[6a]O)	123.2085	2.477	4	123.2085	6.137	4	123.8239	1.479	339	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C[6]-4:C-3:	C(C[6a]C[6a]2)(OC[6])(O)	O(CC[6a]O)	O(C[6]C[6]2H)(CC[6a]O)	C(C[6a]C[6a]2)(OC[6])(O)	O(CC[6a]O)	O(C[6]C[6]2H)(CC[6a]O)	123.6924	1.175	199	123.6924	1.379	199	123.8239	1.479	339	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C[6]-4:C-3:	C(C[6a]C[6a]2)(OC[6])(O)	O(CC[6a]O)	O(C[6]C[6]2N)(CC[6a]O)	C(C[6a]C[6a]2)(OC[6])(O)	O(CC[6a]O)	O(C[6]C[6]2N)(CC[6a]O)	123.5547	0.929	4	123.5547	0.863	4	123.8239	1.479	339	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C[6]-4:C-3:	C(C[6a]C[6a]2)(OC[6])(O)	O(CC[6a]O)	O(C[6]C[6]3)(CC[6a]O)	C(C[6a]C[6a]2)(OC[6])(O)	O(CC[6a]O)	O(C[6]C[6]3)(CC[6a]O)	127.3700	0.226	2	127.3700	0.051	2	123.8239	1.479	339	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C[6]-4:C-3:	C(C[6a]C[6a]2)(OC[6])(O)	O(CC[6a]O)	O(C[6]C[6]N[6]H)(CC[6a]O)	C(C[6a]C[6a]2)(OC[6])(O)	O(CC[6a]O)	O(C[6]C[6]N[6]H)(CC[6a]O)	125.7840	0.000	1	125.7840	0.000	1	123.8239	1.479	339	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C[6]-4:C-3:	C(C[6a]C[6a]2)(OC[6])(O)	O(CC[6a]O)	O(C[6]C[6]O[6]H)(CC[6a]O)	C(C[6a]C[6a]2)(OC[6])(O)	O(CC[6a]O)	O(C[6]C[6]O[6]H)(CC[6a]O)	123.0762	0.775	6	123.0762	0.601	6	123.8239	1.479	339	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C[6]-4:C-3:	C(C[6a]C[6a]N[6a])(OC[6])(O)	O(CC[6a]O)	O(C[6]C[6,6a]C[6]H)(CC[6a]O)	C(C[6a]C[6a]N[6a])(OC[6])(O)	O(CC[6a]O)	O(C[6]C[6,6a]C[6]H)(CC[6a]O)	124.0580	0.000	1	124.0580	0.000	1	123.8239	1.479	339	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	C[6]-4:C-3:	C(C[6a]C[6a]N[6a])(OC[6])(O)	O(CC[6a]O)	O(C[6]C[6]2H)(CC[6a]O)	C(C[6a]C[6a]N[6a])(OC[6])(O)	O(CC[6a]O)	O(C[6]C[6]2H)(CC[6a]O)	124.5694	0.682	5	124.5694	0.465	5	123.8239	1.479	339	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	Ga-4:C-3:	C(C[6a]C[6a]2)(OGa)(O)	O(CC[6a]O)	O(GaN[6]CC)(CC[6a]O)	C(C[6a]C[6a]2)(OGa)(O)	O(CC[6a]O)	O(GaN[6]CC)(CC[6a]O)	123.0350	0.000	1	123.0350	0.000	1	123.0350	0.000	1	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	P-4:C-3:	C(C[6a]C[6a]2)(OP)(O)	O(CC[6a]O)	O(PC[6a]2Se)(CC[6a]O)	C(C[6a]C[6a]2)(OP)(O)	O(CC[6a]O)	O(PC[6a]2Se)(CC[6a]O)	122.1440	0.000	1	122.1440	0.000	1	122.1440	0.000	1	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	P[6]-4:C-3:	C(C[6a]C[6a]2)(OP[6])(O)	O(CC[6a]O)	O(P[6]O[6]2Se)(CC[6a]O)	C(C[6a]C[6a]2)(OP[6])(O)	O(CC[6a]O)	O(P[6]O[6]2Se)(CC[6a]O)	122.3110	1.391	3	122.3110	1.936	3	122.3110	1.936	3	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	C[6a]-3:O-2:O-1:	C-3:	Si-4:C-3:	C(C[6a]C[6a]2)(OSi)(O)	O(CC[6a]O)	O(SiC[6a]2C)(CC[6a]O)	C(C[6a]C[6a]2)(OSi)(O)	O(CC[6a]O)	O(SiC[6a]2C)(CC[6a]O)	122.6990	0.000	1	122.6990	0.000	1	122.6990	0.000	1	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	B-4:C-3:	C(NCC)(OB)(O)	O(CNO)	O(BC[6a]3)(CNO)	C(NCC)(OB)(O)	O(CNO)	O(BC[6a]3)(CNO)	122.8665	0.646	2	122.8665	0.417	2	125.2630	17.438	3	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	B-4:C-3:	C(NC[6a]P)(OB)(O)	O(CNO)	O(BC[6a]3)(CNO)	C(NC[6a]P)(OB)(O)	O(CNO)	O(BC[6a]3)(CNO)	130.0560	0.000	1	130.0560	0.000	1	125.2630	17.438	3	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NCC)(OC)(O)	O(CNO)	O(CC3)(CNO)	C(NCC)(OC)(O)	O(CNO)	O(CC3)(CNO)	125.8719	1.548	58	125.8719	2.397	58	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NCC)(OC)(O)	O(CNO)	O(CCCH)(CNO)	C(NCC)(OC)(O)	O(CNO)	O(CCCH)(CNO)	122.3160	0.675	6	122.3160	0.455	6	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NCC)(OC)(O)	O(CNO)	O(CCHH)(CNO)	C(NCC)(OC)(O)	O(CNO)	O(CCHH)(CNO)	125.7790	0.000	1	125.7790	0.000	1	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NCC)(OC)(O)	O(CNO)	O(CC[5]HH)(CNO)	C(NCC)(OC)(O)	O(CNO)	O(CC[5]HH)(CNO)	122.9740	0.000	1	122.9740	0.000	1	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NCC)(OC)(O)	O(CNO)	O(CC[6a]HH)(CNO)	C(NCC)(OC)(O)	O(CNO)	O(CC[6a]HH)(CNO)	124.1818	0.820	5	124.1818	0.672	5	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NCC)(OC)(O)	O(CNO)	O(CH3)(CNO)	C(NCC)(OC)(O)	O(CNO)	O(CH3)(CNO)	123.8520	0.000	1	123.8520	0.000	1	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NCC)(OC)(O)	O(CNO)	O(CSiCH)(CNO)	C(NCC)(OC)(O)	O(CNO)	O(CSiCH)(CNO)	122.4300	0.000	1	122.4300	0.000	1	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NCH)(OC)(O)	O(CNO)	O(CC3)(CNO)	C(NCH)(OC)(O)	O(CNO)	O(CC3)(CNO)	125.6537	0.823	582	125.6537	0.677	582	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NCH)(OC)(O)	O(CNO)	O(CCCH)(CNO)	C(NCH)(OC)(O)	O(CNO)	O(CCCH)(CNO)	123.5325	1.562	2	123.5325	2.440	2	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NCH)(OC)(O)	O(CNO)	O(CCHH)(CNO)	C(NCH)(OC)(O)	O(CNO)	O(CCHH)(CNO)	124.9622	1.311	54	124.9622	1.719	54	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NCH)(OC)(O)	O(CNO)	O(CC[3]CH)(CNO)	C(NCH)(OC)(O)	O(CNO)	O(CC[3]CH)(CNO)	123.4790	0.000	1	123.4790	0.000	1	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NCH)(OC)(O)	O(CNO)	O(CC[5]HH)(CNO)	C(NCH)(OC)(O)	O(CNO)	O(CC[5]HH)(CNO)	124.1114	0.674	36	124.1114	0.454	36	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NCH)(OC)(O)	O(CNO)	O(CC[6]CH)(CNO)	C(NCH)(OC)(O)	O(CNO)	O(CC[6]CH)(CNO)	127.1745	0.726	2	127.1745	0.527	2	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NCH)(OC)(O)	O(CNO)	O(CC[6]HH)(CNO)	C(NCH)(OC)(O)	O(CNO)	O(CC[6]HH)(CNO)	122.4270	0.000	1	122.4270	0.000	1	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NCH)(OC)(O)	O(CNO)	O(CC[6a]CH)(CNO)	C(NCH)(OC)(O)	O(CNO)	O(CC[6a]CH)(CNO)	124.1410	0.408	5	124.1410	0.167	5	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NCH)(OC)(O)	O(CNO)	O(CC[6a]HH)(CNO)	C(NCH)(OC)(O)	O(CNO)	O(CC[6a]HH)(CNO)	124.0632	0.803	109	124.0632	0.645	109	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NCH)(OC)(O)	O(CNO)	O(CH3)(CNO)	C(NCH)(OC)(O)	O(CNO)	O(CH3)(CNO)	124.6651	0.913	49	124.6651	0.834	49	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NCN)(OC)(O)	O(CNO)	O(CC3)(CNO)	C(NCN)(OC)(O)	O(CNO)	O(CC3)(CNO)	127.7768	0.976	11	127.7768	0.953	11	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NCN)(OC)(O)	O(CNO)	O(CCCH)(CNO)	C(NCN)(OC)(O)	O(CNO)	O(CCCH)(CNO)	127.2512	0.801	4	127.2512	0.642	4	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NCN)(OC)(O)	O(CNO)	O(CCHH)(CNO)	C(NCN)(OC)(O)	O(CNO)	O(CCHH)(CNO)	125.5848	0.464	5	125.5848	0.215	5	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NCN)(OC)(O)	O(CNO)	O(CC[6a]HH)(CNO)	C(NCN)(OC)(O)	O(CNO)	O(CC[6a]HH)(CNO)	125.8295	0.022	2	125.8295	0.000	2	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NCN)(OC)(O)	O(CNO)	O(CH3)(CNO)	C(NCN)(OC)(O)	O(CNO)	O(CH3)(CNO)	126.4888	0.941	4	126.4888	0.885	4	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NCO)(OC)(O)	O(CNO)	O(CC3)(CNO)	C(NCO)(OC)(O)	O(CNO)	O(CC3)(CNO)	126.7758	1.034	4	126.7758	1.070	4	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NCP)(OC)(O)	O(CNO)	O(CC3)(CNO)	C(NCP)(OC)(O)	O(CNO)	O(CC3)(CNO)	126.7735	0.462	2	126.7735	0.213	2	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NCS)(OC)(O)	O(CNO)	O(CC3)(CNO)	C(NCS)(OC)(O)	O(CNO)	O(CC3)(CNO)	127.4410	0.974	5	127.4410	0.948	5	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NC[3]C)(OC)(O)	O(CNO)	O(CC3)(CNO)	C(NC[3]C)(OC)(O)	O(CNO)	O(CC3)(CNO)	125.9961	0.804	7	125.9961	0.646	7	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NC[3]H)(OC)(O)	O(CNO)	O(CC3)(CNO)	C(NC[3]H)(OC)(O)	O(CNO)	O(CC3)(CNO)	126.2280	0.000	1	126.2280	0.000	1	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NC[3x4]H)(OC)(O)	O(CNO)	O(CC3)(CNO)	C(NC[3x4]H)(OC)(O)	O(CNO)	O(CC3)(CNO)	124.3000	0.000	1	124.3000	0.000	1	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NC[3x4]N)(OC)(O)	O(CNO)	O(CC3)(CNO)	C(NC[3x4]N)(OC)(O)	O(CNO)	O(CC3)(CNO)	127.1460	0.000	1	127.1460	0.000	1	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NC[3x6]H)(OC)(O)	O(CNO)	O(CC3)(CNO)	C(NC[3x6]H)(OC)(O)	O(CNO)	O(CC3)(CNO)	124.8047	0.144	3	124.8047	0.021	3	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NC[3x6]H)(OC)(O)	O(CNO)	O(CC[3]CH)(CNO)	C(NC[3x6]H)(OC)(O)	O(CNO)	O(CC[3]CH)(CNO)	124.4950	0.000	1	124.4950	0.000	1	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NC[4,5]H)(OC)(O)	O(CNO)	O(CH3)(CNO)	C(NC[4,5]H)(OC)(O)	O(CNO)	O(CH3)(CNO)	123.9193	0.571	4	123.9193	0.326	4	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NC[4]H)(OC)(O)	O(CNO)	O(CC3)(CNO)	C(NC[4]H)(OC)(O)	O(CNO)	O(CC3)(CNO)	125.6869	0.784	9	125.6869	0.615	9	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NC[4]H)(OC)(O)	O(CNO)	O(CC[6a]HH)(CNO)	C(NC[4]H)(OC)(O)	O(CNO)	O(CC[6a]HH)(CNO)	124.2127	0.444	6	124.2127	0.197	6	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NC[5,6]H)(OC)(O)	O(CNO)	O(CC3)(CNO)	C(NC[5,6]H)(OC)(O)	O(CNO)	O(CC3)(CNO)	126.4870	0.000	1	126.4870	0.000	1	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NC[5,6]H)(OC)(O)	O(CNO)	O(CC[6a]HH)(CNO)	C(NC[5,6]H)(OC)(O)	O(CNO)	O(CC[6a]HH)(CNO)	122.9030	0.000	1	122.9030	0.000	1	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NC[5]C)(OC)(O)	O(CNO)	O(CCHH)(CNO)	C(NC[5]C)(OC)(O)	O(CNO)	O(CCHH)(CNO)	124.4980	0.000	1	124.4980	0.000	1	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NC[5]C)(OC)(O)	O(CNO)	O(CC[6a]HH)(CNO)	C(NC[5]C)(OC)(O)	O(CNO)	O(CC[6a]HH)(CNO)	122.0520	0.000	1	122.0520	0.000	1	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NC[5]C)(OC)(O)	O(CNO)	O(CH3)(CNO)	C(NC[5]C)(OC)(O)	O(CNO)	O(CH3)(CNO)	124.2265	1.201	2	124.2265	1.443	2	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NC[5]H)(OC)(O)	O(CNO)	O(CC3)(CNO)	C(NC[5]H)(OC)(O)	O(CNO)	O(CC3)(CNO)	126.2192	0.861	120	126.2192	0.742	120	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NC[5]H)(OC)(O)	O(CNO)	O(CCHH)(CNO)	C(NC[5]H)(OC)(O)	O(CNO)	O(CCHH)(CNO)	124.2832	1.166	8	124.2832	1.358	8	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NC[5]H)(OC)(O)	O(CNO)	O(CC[5]HH)(CNO)	C(NC[5]H)(OC)(O)	O(CNO)	O(CC[5]HH)(CNO)	124.5732	1.329	5	124.5732	1.766	5	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NC[5]H)(OC)(O)	O(CNO)	O(CC[6a]HH)(CNO)	C(NC[5]H)(OC)(O)	O(CNO)	O(CC[6a]HH)(CNO)	124.2539	0.653	15	124.2539	0.426	15	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NC[5]H)(OC)(O)	O(CNO)	O(CH3)(CNO)	C(NC[5]H)(OC)(O)	O(CNO)	O(CH3)(CNO)	125.5420	1.347	11	125.5420	1.815	11	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NC[5]N)(OC)(O)	O(CNO)	O(CC3)(CNO)	C(NC[5]N)(OC)(O)	O(CNO)	O(CC3)(CNO)	126.8649	0.807	10	126.8649	0.651	10	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NC[5]N)(OC)(O)	O(CNO)	O(CCCH)(CNO)	C(NC[5]N)(OC)(O)	O(CNO)	O(CCCH)(CNO)	125.8427	0.333	6	125.8427	0.111	6	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NC[5]N)(OC)(O)	O(CNO)	O(CCHH)(CNO)	C(NC[5]N)(OC)(O)	O(CNO)	O(CCHH)(CNO)	124.3503	0.606	3	124.3503	0.367	3	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NC[5]O)(OC)(O)	O(CNO)	O(CC3)(CNO)	C(NC[5]O)(OC)(O)	O(CNO)	O(CC3)(CNO)	125.9765	0.187	2	125.9765	0.035	2	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NC[5]O)(OC)(O)	O(CNO)	O(CH3)(CNO)	C(NC[5]O)(OC)(O)	O(CNO)	O(CH3)(CNO)	126.2090	0.000	1	126.2090	0.000	1	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NC[5a]C)(OC)(O)	O(CNO)	O(CC3)(CNO)	C(NC[5a]C)(OC)(O)	O(CNO)	O(CC3)(CNO)	126.4578	0.386	5	126.4578	0.149	5	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NC[5a]C)(OC)(O)	O(CNO)	O(CH3)(CNO)	C(NC[5a]C)(OC)(O)	O(CNO)	O(CH3)(CNO)	123.6460	0.606	3	123.6460	0.367	3	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NC[5a]H)(OC)(O)	O(CNO)	O(CC3)(CNO)	C(NC[5a]H)(OC)(O)	O(CNO)	O(CC3)(CNO)	126.9658	0.485	12	126.9658	0.235	12	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NC[5a]H)(OC)(O)	O(CNO)	O(CCHH)(CNO)	C(NC[5a]H)(OC)(O)	O(CNO)	O(CCHH)(CNO)	124.6100	0.783	3	124.6100	0.613	3	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NC[5a]H)(OC)(O)	O(CNO)	O(CC[6a]HH)(CNO)	C(NC[5a]H)(OC)(O)	O(CNO)	O(CC[6a]HH)(CNO)	125.1570	0.000	1	125.1570	0.000	1	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NC[5a]H)(OC)(O)	O(CNO)	O(CH3)(CNO)	C(NC[5a]H)(OC)(O)	O(CNO)	O(CH3)(CNO)	126.0110	0.000	1	126.0110	0.000	1	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NC[5a]N)(OC)(O)	O(CNO)	O(CCCH)(CNO)	C(NC[5a]N)(OC)(O)	O(CNO)	O(CCCH)(CNO)	126.8150	0.000	1	126.8150	0.000	1	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NC[6,6]H)(OC)(O)	O(CNO)	O(CC3)(CNO)	C(NC[6,6]H)(OC)(O)	O(CNO)	O(CC3)(CNO)	125.1012	0.936	8	125.1012	0.877	8	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NC[6]C)(OC)(O)	O(CNO)	O(CC3)(CNO)	C(NC[6]C)(OC)(O)	O(CNO)	O(CC3)(CNO)	125.9833	1.469	6	125.9833	2.158	6	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NC[6]H)(OC)(O)	O(CNO)	O(CC3)(CNO)	C(NC[6]H)(OC)(O)	O(CNO)	O(CC3)(CNO)	125.7126	1.003	48	125.7126	1.006	48	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NC[6]H)(OC)(O)	O(CNO)	O(CCCH)(CNO)	C(NC[6]H)(OC)(O)	O(CNO)	O(CCCH)(CNO)	125.3760	0.000	1	125.3760	0.000	1	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NC[6]H)(OC)(O)	O(CNO)	O(CCHH)(CNO)	C(NC[6]H)(OC)(O)	O(CNO)	O(CCHH)(CNO)	124.8117	1.016	14	124.8117	1.033	14	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NC[6]H)(OC)(O)	O(CNO)	O(CC[5]HH)(CNO)	C(NC[6]H)(OC)(O)	O(CNO)	O(CC[5]HH)(CNO)	124.2970	0.587	2	124.2970	0.344	2	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NC[6]H)(OC)(O)	O(CNO)	O(CC[6a]HH)(CNO)	C(NC[6]H)(OC)(O)	O(CNO)	O(CC[6a]HH)(CNO)	123.7558	0.818	19	123.7558	0.669	19	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NC[6]H)(OC)(O)	O(CNO)	O(CGeHH)(CNO)	C(NC[6]H)(OC)(O)	O(CNO)	O(CGeHH)(CNO)	123.1690	0.000	1	123.1690	0.000	1	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NC[6]H)(OC)(O)	O(CNO)	O(CH3)(CNO)	C(NC[6]H)(OC)(O)	O(CNO)	O(CH3)(CNO)	123.6980	0.457	5	123.6980	0.209	5	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NC[6]N)(OC)(O)	O(CNO)	O(CC3)(CNO)	C(NC[6]N)(OC)(O)	O(CNO)	O(CC3)(CNO)	127.4340	0.520	3	127.4340	0.270	3	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NC[6]N)(OC)(O)	O(CNO)	O(CCCH)(CNO)	C(NC[6]N)(OC)(O)	O(CNO)	O(CCCH)(CNO)	126.5670	0.000	1	126.5670	0.000	1	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NC[6]O)(OC)(O)	O(CNO)	O(CC3)(CNO)	C(NC[6]O)(OC)(O)	O(CNO)	O(CC3)(CNO)	126.5110	0.000	1	126.5110	0.000	1	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NC[6]P)(OC)(O)	O(CNO)	O(CC3)(CNO)	C(NC[6]P)(OC)(O)	O(CNO)	O(CC3)(CNO)	126.4150	0.212	2	126.4150	0.045	2	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NC[6a]2)(OC)(O)	O(CNO)	O(CC3)(CNO)	C(NC[6a]2)(OC)(O)	O(CNO)	O(CC3)(CNO)	126.9861	0.725	8	126.9861	0.526	8	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NC[6a]C)(OC)(O)	O(CNO)	O(CC3)(CNO)	C(NC[6a]C)(OC)(O)	O(CNO)	O(CC3)(CNO)	127.0407	1.029	41	127.0407	1.060	41	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NC[6a]C)(OC)(O)	O(CNO)	O(CCHH)(CNO)	C(NC[6a]C)(OC)(O)	O(CNO)	O(CCHH)(CNO)	124.2068	1.039	6	124.2068	1.079	6	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NC[6a]C)(OC)(O)	O(CNO)	O(CC[6a]HH)(CNO)	C(NC[6a]C)(OC)(O)	O(CNO)	O(CC[6a]HH)(CNO)	124.1170	0.000	1	124.1170	0.000	1	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NC[6a]C)(OC)(O)	O(CNO)	O(CH3)(CNO)	C(NC[6a]C)(OC)(O)	O(CNO)	O(CH3)(CNO)	124.2947	0.699	4	124.2947	0.489	4	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NC[6a]C)(OC)(O)	O(CNO)	O(CHHO)(CNO)	C(NC[6a]C)(OC)(O)	O(CNO)	O(CHHO)(CNO)	124.9687	0.099	3	124.9687	0.010	3	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NC[6a]C[5])(OC)(O)	O(CNO)	O(CH3)(CNO)	C(NC[6a]C[5])(OC)(O)	O(CNO)	O(CH3)(CNO)	123.7830	0.000	1	123.7830	0.000	1	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NC[6a]Cu)(OC)(O)	O(CNO)	O(CC3)(CNO)	C(NC[6a]Cu)(OC)(O)	O(CNO)	O(CC3)(CNO)	124.0910	0.000	1	124.0910	0.000	1	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NC[6a]H)(OC)(O)	O(CNO)	O(CC3)(CNO)	C(NC[6a]H)(OC)(O)	O(CNO)	O(CC3)(CNO)	125.9445	0.806	86	125.9445	0.650	86	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NC[6a]H)(OC)(O)	O(CNO)	O(CCCH)(CNO)	C(NC[6a]H)(OC)(O)	O(CNO)	O(CCCH)(CNO)	124.2252	0.612	9	124.2252	0.374	9	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NC[6a]H)(OC)(O)	O(CNO)	O(CCHH)(CNO)	C(NC[6a]H)(OC)(O)	O(CNO)	O(CCHH)(CNO)	124.0898	0.654	65	124.0898	0.427	65	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NC[6a]H)(OC)(O)	O(CNO)	O(CC[3]HH)(CNO)	C(NC[6a]H)(OC)(O)	O(CNO)	O(CC[3]HH)(CNO)	124.3140	1.082	4	124.3140	1.170	4	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NC[6a]H)(OC)(O)	O(CNO)	O(CC[3]HP)(CNO)	C(NC[6a]H)(OC)(O)	O(CNO)	O(CC[3]HP)(CNO)	122.9850	0.000	1	122.9850	0.000	1	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NC[6a]H)(OC)(O)	O(CNO)	O(CC[4]HH)(CNO)	C(NC[6a]H)(OC)(O)	O(CNO)	O(CC[4]HH)(CNO)	124.5333	0.958	3	124.5333	0.919	3	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NC[6a]H)(OC)(O)	O(CNO)	O(CC[5,6]HH)(CNO)	C(NC[6a]H)(OC)(O)	O(CNO)	O(CC[5,6]HH)(CNO)	124.4610	0.000	1	124.4610	0.000	1	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NC[6a]H)(OC)(O)	O(CNO)	O(CC[5]CH)(CNO)	C(NC[6a]H)(OC)(O)	O(CNO)	O(CC[5]CH)(CNO)	124.4660	0.000	1	124.4660	0.000	1	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NC[6a]H)(OC)(O)	O(CNO)	O(CC[5]HH)(CNO)	C(NC[6a]H)(OC)(O)	O(CNO)	O(CC[5]HH)(CNO)	123.4510	0.000	1	123.4510	0.000	1	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NC[6a]H)(OC)(O)	O(CNO)	O(CC[5a]HH)(CNO)	C(NC[6a]H)(OC)(O)	O(CNO)	O(CC[5a]HH)(CNO)	122.9302	0.647	6	122.9302	0.418	6	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NC[6a]H)(OC)(O)	O(CNO)	O(CC[6]HH)(CNO)	C(NC[6a]H)(OC)(O)	O(CNO)	O(CC[6]HH)(CNO)	124.2695	1.095	2	124.2695	1.200	2	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NC[6a]H)(OC)(O)	O(CNO)	O(CC[6a]CC)(CNO)	C(NC[6a]H)(OC)(O)	O(CNO)	O(CC[6a]CC)(CNO)	125.2735	0.581	2	125.2735	0.337	2	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NC[6a]H)(OC)(O)	O(CNO)	O(CC[6a]CH)(CNO)	C(NC[6a]H)(OC)(O)	O(CNO)	O(CC[6a]CH)(CNO)	125.4570	0.000	1	125.4570	0.000	1	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NC[6a]H)(OC)(O)	O(CNO)	O(CC[6a]C[5]H)(CNO)	C(NC[6a]H)(OC)(O)	O(CNO)	O(CC[6a]C[5]H)(CNO)	124.6607	0.702	4	124.6607	0.493	4	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NC[6a]H)(OC)(O)	O(CNO)	O(CC[6a]HH)(CNO)	C(NC[6a]H)(OC)(O)	O(CNO)	O(CC[6a]HH)(CNO)	124.5930	0.650	14	124.5930	0.423	14	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NC[6a]H)(OC)(O)	O(CNO)	O(CH3)(CNO)	C(NC[6a]H)(OC)(O)	O(CNO)	O(CH3)(CNO)	124.1363	0.593	22	124.1363	0.352	22	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NC[6a]N)(OC)(O)	O(CNO)	O(CC3)(CNO)	C(NC[6a]N)(OC)(O)	O(CNO)	O(CC3)(CNO)	127.3119	0.505	11	127.3119	0.255	11	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NC[6a]N)(OC)(O)	O(CNO)	O(CCCH)(CNO)	C(NC[6a]N)(OC)(O)	O(CNO)	O(CCCH)(CNO)	125.8200	0.000	2	125.8200	0.000	2	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NC[6a]N)(OC)(O)	O(CNO)	O(CCHH)(CNO)	C(NC[6a]N)(OC)(O)	O(CNO)	O(CCHH)(CNO)	125.8750	0.440	4	125.8750	0.193	4	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NC[6a]N)(OC)(O)	O(CNO)	O(CC[6a]HH)(CNO)	C(NC[6a]N)(OC)(O)	O(CNO)	O(CC[6a]HH)(CNO)	125.0510	0.000	1	125.0510	0.000	1	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NC[6a]N)(OC)(O)	O(CNO)	O(CH3)(CNO)	C(NC[6a]N)(OC)(O)	O(CNO)	O(CH3)(CNO)	125.6040	0.256	2	125.6040	0.066	2	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NC[6a]N[5])(OC)(O)	O(CNO)	O(CC3)(CNO)	C(NC[6a]N[5])(OC)(O)	O(CNO)	O(CC3)(CNO)	128.0710	0.000	1	128.0710	0.000	1	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NC[6a]N[5])(OC)(O)	O(CNO)	O(CC[6a]HH)(CNO)	C(NC[6a]N[5])(OC)(O)	O(CNO)	O(CC[6a]HH)(CNO)	126.1160	0.000	1	126.1160	0.000	1	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NC[6a]O)(OC)(O)	O(CNO)	O(CH3)(CNO)	C(NC[6a]O)(OC)(O)	O(CNO)	O(CH3)(CNO)	124.2507	0.288	3	124.2507	0.083	3	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NHH)(OC)(O)	O(CNO)	O(CC3)(CNO)	C(NHH)(OC)(O)	O(CNO)	O(CC3)(CNO)	124.5770	0.423	2	124.5770	0.179	2	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NHH)(OC)(O)	O(CNO)	O(CCCH)(CNO)	C(NHH)(OC)(O)	O(CNO)	O(CCCH)(CNO)	123.5261	0.681	7	123.5261	0.464	7	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NHH)(OC)(O)	O(CNO)	O(CCHH)(CNO)	C(NHH)(OC)(O)	O(CNO)	O(CCHH)(CNO)	122.1430	0.463	5	122.1430	0.215	5	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NHH)(OC)(O)	O(CNO)	O(CC[5]HH)(CNO)	C(NHH)(OC)(O)	O(CNO)	O(CC[5]HH)(CNO)	123.3923	0.391	3	123.3923	0.153	3	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NHH)(OC)(O)	O(CNO)	O(CC[6a]HH)(CNO)	C(NHH)(OC)(O)	O(CNO)	O(CC[6a]HH)(CNO)	123.0360	0.000	1	123.0360	0.000	1	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NHH)(OC)(O)	O(CNO)	O(CSiHH)(CNO)	C(NHH)(OC)(O)	O(CNO)	O(CSiHH)(CNO)	122.9680	0.773	9	122.9680	0.597	9	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NHN)(OC)(O)	O(CNO)	O(CC3)(CNO)	C(NHN)(OC)(O)	O(CNO)	O(CC3)(CNO)	126.8675	0.950	39	126.8675	0.902	39	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NHN)(OC)(O)	O(CNO)	O(CCCH)(CNO)	C(NHN)(OC)(O)	O(CNO)	O(CCCH)(CNO)	126.0504	0.573	20	126.0504	0.328	20	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NHN)(OC)(O)	O(CNO)	O(CCHH)(CNO)	C(NHN)(OC)(O)	O(CNO)	O(CCHH)(CNO)	125.1453	0.707	43	125.1453	0.501	43	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NHN)(OC)(O)	O(CNO)	O(CC[6a]HH)(CNO)	C(NHN)(OC)(O)	O(CNO)	O(CC[6a]HH)(CNO)	125.9083	1.876	9	125.9083	3.520	9	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NHN)(OC)(O)	O(CNO)	O(CH3)(CNO)	C(NHN)(OC)(O)	O(CNO)	O(CH3)(CNO)	124.9126	0.852	56	124.9126	0.725	56	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NHN)(OC)(O)	O(CNO)	O(CSiHH)(CNO)	C(NHN)(OC)(O)	O(CNO)	O(CSiHH)(CNO)	126.6053	0.628	3	126.6053	0.394	3	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NHO)(OC)(O)	O(CNO)	O(CC3)(CNO)	C(NHO)(OC)(O)	O(CNO)	O(CC3)(CNO)	127.4907	0.617	9	127.4907	0.381	9	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NHO)(OC)(O)	O(CNO)	O(CC[5]HH)(CNO)	C(NHO)(OC)(O)	O(CNO)	O(CC[5]HH)(CNO)	125.4470	0.000	1	125.4470	0.000	1	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NHO)(OC)(O)	O(CNO)	O(CC[6a]HH)(CNO)	C(NHO)(OC)(O)	O(CNO)	O(CC[6a]HH)(CNO)	125.3010	1.394	2	125.3010	1.944	2	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NHP)(OC)(O)	O(CNO)	O(CH3)(CNO)	C(NHP)(OC)(O)	O(CNO)	O(CH3)(CNO)	125.1040	0.000	1	125.1040	0.000	1	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NIrN)(OC)(O)	O(CNO)	O(CCHH)(CNO)	C(NIrN)(OC)(O)	O(CNO)	O(CCHH)(CNO)	124.5500	0.000	1	124.5500	0.000	1	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NIrN)(OC)(O)	O(CNO)	O(CH3)(CNO)	C(NIrN)(OC)(O)	O(CNO)	O(CH3)(CNO)	124.8225	1.231	2	124.8225	1.516	2	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NNS)(OC)(O)	O(CNO)	O(CCCH)(CNO)	C(NNS)(OC)(O)	O(CNO)	O(CCCH)(CNO)	127.2775	0.030	2	127.2775	0.001	2	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NN[3]C)(OC)(O)	O(CNO)	O(CC3)(CNO)	C(NN[3]C)(OC)(O)	O(CNO)	O(CC3)(CNO)	126.5620	0.000	1	126.5620	0.000	1	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NN[4]H)(OC)(O)	O(CNO)	O(CC3)(CNO)	C(NN[4]H)(OC)(O)	O(CNO)	O(CC3)(CNO)	126.1894	0.250	5	126.1894	0.063	5	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NN[5]H)(OC)(O)	O(CNO)	O(CC3)(CNO)	C(NN[5]H)(OC)(O)	O(CNO)	O(CC3)(CNO)	128.2063	0.491	3	128.2063	0.241	3	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NN[6]H)(OC)(O)	O(CNO)	O(CC[6a]HH)(CNO)	C(NN[6]H)(OC)(O)	O(CNO)	O(CC[6a]HH)(CNO)	124.7180	0.000	1	124.7180	0.000	1	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NNiC)(OC)(O)	O(CNO)	O(CC[6a]HH)(CNO)	C(NNiC)(OC)(O)	O(CNO)	O(CC[6a]HH)(CNO)	121.6320	0.000	1	121.6320	0.000	1	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NP[4]N)(OC)(O)	O(CNO)	O(CCCH)(CNO)	C(NP[4]N)(OC)(O)	O(CNO)	O(CCCH)(CNO)	126.6660	0.918	2	126.6660	0.842	2	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NP[4]N)(OC)(O)	O(CNO)	O(CCHH)(CNO)	C(NP[4]N)(OC)(O)	O(CNO)	O(CCHH)(CNO)	125.1690	0.000	1	125.1690	0.000	1	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NPdC)(OC)(O)	O(CNO)	O(CC[6a]HH)(CNO)	C(NPdC)(OC)(O)	O(CNO)	O(CC[6a]HH)(CNO)	121.3100	0.000	1	121.3100	0.000	1	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NPtC)(OC)(O)	O(CNO)	O(CC[6a]HH)(CNO)	C(NPtC)(OC)(O)	O(CNO)	O(CC[6a]HH)(CNO)	122.0500	0.552	2	122.0500	0.304	2	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C-4:C-3:	C(NTcC)(OC)(O)	O(CNO)	O(CC[6]HH)(CNO)	C(NTcC)(OC)(O)	O(CNO)	O(CC[6]HH)(CNO)	122.9780	0.000	1	122.9780	0.000	1	125.3804	1.678	1853	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C[5,6]-4:C-3:	C(NC[6a]H)(OC[5,6])(O)	O(CNO)	O(C[5,6]C[5,5,6]C[5,6,6]H)(CNO)	C(NC[6a]H)(OC[5,6])(O)	O(CNO)	O(C[5,6]C[5,5,6]C[5,6,6]H)(CNO)	123.8220	0.000	1	123.8220	0.000	1	123.8220	0.000	1	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C[5]-4:C-3:	C(NC[6a]H)(OC[5])(O)	O(CNO)	O(C[5]C[4,5]C[5]H)(CNO)	C(NC[6a]H)(OC[5])(O)	O(CNO)	O(C[5]C[4,5]C[5]H)(CNO)	125.2450	0.000	1	125.2450	0.000	1	124.2628	0.649	10	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C[5]-4:C-3:	C(NC[6a]H)(OC[5])(O)	O(CNO)	O(C[5]C[5,5,6]N[5]H)(CNO)	C(NC[6a]H)(OC[5])(O)	O(CNO)	O(C[5]C[5,5,6]N[5]H)(CNO)	123.9815	0.353	2	123.9815	0.125	2	124.2628	0.649	10	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C[5]-4:C-3:	C(NC[6a]H)(OC[5])(O)	O(CNO)	O(C[5]C[5,5]C[5]H)(CNO)	C(NC[6a]H)(OC[5])(O)	O(CNO)	O(C[5]C[5,5]C[5]H)(CNO)	124.9340	0.000	1	124.9340	0.000	1	124.2628	0.649	10	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C[5]-4:C-3:	C(NC[6a]H)(OC[5])(O)	O(CNO)	O(C[5]C[5,6]C[5]H)(CNO)	C(NC[6a]H)(OC[5])(O)	O(CNO)	O(C[5]C[5,6]C[5]H)(CNO)	124.9425	0.272	2	124.9425	0.074	2	124.2628	0.649	10	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C[5]-4:C-3:	C(NC[6a]H)(OC[5])(O)	O(CNO)	O(C[5]C[5]2H)(CNO)	C(NC[6a]H)(OC[5])(O)	O(CNO)	O(C[5]C[5]2H)(CNO)	123.6502	0.740	4	123.6502	0.547	4	124.2628	0.649	10	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C[6]-4:C-3:	C(NC[6]H)(OC[6])(O)	O(CNO)	O(C[6]C[5,6]C[6]H)(CNO)	C(NC[6]H)(OC[6])(O)	O(CNO)	O(C[6]C[5,6]C[6]H)(CNO)	123.0920	0.222	2	123.0920	0.049	2	124.6970	1.200	15	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C[6]-4:C-3:	C(NC[6a]H)(OC[6])(O)	O(CNO)	O(C[6]C[5,6]C[6]H)(CNO)	C(NC[6a]H)(OC[6])(O)	O(CNO)	O(C[6]C[5,6]C[6]H)(CNO)	124.2445	0.250	2	124.2445	0.062	2	124.6970	1.200	15	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C[6]-4:C-3:	C(NC[6a]H)(OC[6])(O)	O(CNO)	O(C[6]C[6,6]C[6]C)(CNO)	C(NC[6a]H)(OC[6])(O)	O(CNO)	O(C[6]C[6,6]C[6]C)(CNO)	127.5710	0.000	1	127.5710	0.000	1	124.6970	1.200	15	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	C[6]-4:C-3:	C(NC[6a]H)(OC[6])(O)	O(CNO)	O(C[6]C[6]2H)(CNO)	C(NC[6a]H)(OC[6])(O)	O(CNO)	O(C[6]C[6]2H)(CNO)	124.8211	0.549	10	124.8211	0.301	10	124.6970	1.200	15	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	P-4:C-3:	C(NRuC)(OP)(O)	O(CNO)	O(PRuCC)(CNO)	C(NRuC)(OP)(O)	O(CNO)	O(PRuCC)(CNO)	117.7620	0.000	1	117.7620	0.000	1	117.7620	0.000	1	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	Si-4:C-3:	C(NC[6a]C)(OSi)(O)	O(CNO)	O(SiC3)(CNO)	C(NC[6a]C)(OSi)(O)	O(CNO)	O(SiC3)(CNO)	122.3105	0.472	2	122.3105	0.222	2	122.7592	0.277	5	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	Si-4:C-3:	C(NC[6a]H)(OSi)(O)	O(CNO)	O(SiC3)(CNO)	C(NC[6a]H)(OSi)(O)	O(CNO)	O(SiC3)(CNO)	122.9910	0.000	1	122.9910	0.000	1	122.7592	0.277	5	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N-3:O-2:O-1:	C-3:	Si-4:C-3:	C(NHH)(OSi)(O)	O(CNO)	O(SiC3)(CNO)	C(NHH)(OSi)(O)	O(CNO)	O(SiC3)(CNO)	123.0920	0.454	2	123.0920	0.206	2	122.7592	0.277	5	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N[3]-3:O-2:O-1:	C-3:	C-4:C-3:	C(N[3]C[3,5]C[3])(OC)(O)	O(CN[3]O)	O(CC[6a]HH)(CN[3]O)	C(N[3]C[3,5]C[3])(OC)(O)	O(CN[3]O)	O(CC[6a]HH)(CN[3]O)	126.3845	0.643	2	126.3845	0.413	2	126.7673	0.646	3	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N[3]-3:O-2:O-1:	C-3:	C-4:C-3:	C(N[3]C[3]2)(OC)(O)	O(CN[3]O)	O(CC[6a]HH)(CN[3]O)	C(N[3]C[3]2)(OC)(O)	O(CN[3]O)	O(CC[6a]HH)(CN[3]O)	127.5330	0.000	1	127.5330	0.000	1	126.7673	0.646	3	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N[4]-3:O-2:O-1:	C-3:	C-4:C-3:	C(N[4]C[4]N[4])(OC)(O)	O(CN[4]O)	O(CC[6a]HH)(CN[4]O)	C(N[4]C[4]N[4])(OC)(O)	O(CN[4]O)	O(CC[6a]HH)(CN[4]O)	126.7313	0.944	3	126.7313	0.891	3	126.7313	0.891	3	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N[5,5]-3:O-2:O-1:	C-3:	C-4:C-3:	C(N[5,5]C[5,5,6]2)(OC)(O)	O(CN[5,5]O)	O(CC[6a]HH)(CN[5,5]O)	C(N[5,5]C[5,5,6]2)(OC)(O)	O(CN[5,5]O)	O(CC[6a]HH)(CN[5,5]O)	123.3980	0.000	1	123.3980	0.000	1	123.3980	0.000	1	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N[5,6]-3:O-2:O-1:	C-3:	C-4:C-3:	C(N[5,6]C[5,5,6]C[5,6])(OC)(O)	O(CN[5,6]O)	O(CC[6a]HH)(CN[5,6]O)	C(N[5,6]C[5,5,6]C[5,6])(OC)(O)	O(CN[5,6]O)	O(CC[6a]HH)(CN[5,6]O)	124.8413	0.307	3	124.8413	0.094	3	124.4720	0.333	5	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N[5,6]-3:O-2:O-1:	C-3:	C-4:C-3:	C(N[5,6]C[5,6]2)(OC)(O)	O(CN[5,6]O)	O(CC[6a]HH)(CN[5,6]O)	C(N[5,6]C[5,6]2)(OC)(O)	O(CN[5,6]O)	O(CC[6a]HH)(CN[5,6]O)	123.9180	0.345	2	123.9180	0.119	2	124.4720	0.333	5	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N[5]-3:O-2:O-1:	C-3:	C-4:C-3:	C(N[5]C[5,3x6]C[5])(OC)(O)	O(CN[5]O)	O(CC[6a]HH)(CN[5]O)	C(N[5]C[5,3x6]C[5])(OC)(O)	O(CN[5]O)	O(CC[6a]HH)(CN[5]O)	124.9820	0.000	1	124.9820	0.000	1	124.7943	2.100	62	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N[5]-3:O-2:O-1:	C-3:	C-4:C-3:	C(N[5]C[5,5]C[5])(OC)(O)	O(CN[5]O)	O(CC[6a]HH)(CN[5]O)	C(N[5]C[5,5]C[5])(OC)(O)	O(CN[5]O)	O(CC[6a]HH)(CN[5]O)	125.3027	1.650	7	125.3027	2.721	7	124.7943	2.100	62	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N[5]-3:O-2:O-1:	C-3:	C-4:C-3:	C(N[5]C[5,6,6]C[5])(OC)(O)	O(CN[5]O)	O(CC[6a]HH)(CN[5]O)	C(N[5]C[5,6,6]C[5])(OC)(O)	O(CN[5]O)	O(CC[6a]HH)(CN[5]O)	124.5030	0.000	1	124.5030	0.000	1	124.7943	2.100	62	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N[5]-3:O-2:O-1:	C-3:	C-4:C-3:	C(N[5]C[5,6]C[5])(OC)(O)	O(CN[5]O)	O(CC[6a]HH)(CN[5]O)	C(N[5]C[5,6]C[5])(OC)(O)	O(CN[5]O)	O(CC[6a]HH)(CN[5]O)	123.5422	0.429	5	123.5422	0.184	5	124.7943	2.100	62	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N[5]-3:O-2:O-1:	C-3:	C-4:C-3:	C(N[5]C[5,6a]C[5,6])(OC)(O)	O(CN[5]O)	O(CC[6a]HH)(CN[5]O)	C(N[5]C[5,6a]C[5,6])(OC)(O)	O(CN[5]O)	O(CC[6a]HH)(CN[5]O)	124.4950	0.000	1	124.4950	0.000	1	124.7943	2.100	62	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N[5]-3:O-2:O-1:	C-3:	C-4:C-3:	C(N[5]C[5,6a]C[5])(OC)(O)	O(CN[5]O)	O(CC[6a]HH)(CN[5]O)	C(N[5]C[5,6a]C[5])(OC)(O)	O(CN[5]O)	O(CC[6a]HH)(CN[5]O)	125.7810	0.000	1	125.7810	0.000	1	124.7943	2.100	62	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N[5]-3:O-2:O-1:	C-3:	C-4:C-3:	C(N[5]C[5]2)(OC)(O)	O(CN[5]O)	O(CC[5]HH)(CN[5]O)	C(N[5]C[5]2)(OC)(O)	O(CN[5]O)	O(CC[5]HH)(CN[5]O)	124.9840	1.370	4	124.9840	1.877	4	124.7943	2.100	62	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N[5]-3:O-2:O-1:	C-3:	C-4:C-3:	C(N[5]C[5]2)(OC)(O)	O(CN[5]O)	O(CC[6a]CH)(CN[5]O)	C(N[5]C[5]2)(OC)(O)	O(CN[5]O)	O(CC[6a]CH)(CN[5]O)	122.9150	0.000	1	122.9150	0.000	1	124.7943	2.100	62	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N[5]-3:O-2:O-1:	C-3:	C-4:C-3:	C(N[5]C[5]2)(OC)(O)	O(CN[5]O)	O(CC[6a]HH)(CN[5]O)	C(N[5]C[5]2)(OC)(O)	O(CN[5]O)	O(CC[6a]HH)(CN[5]O)	124.3247	1.384	28	124.3247	1.916	28	124.7943	2.100	62	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N[5]-3:O-2:O-1:	C-3:	C-4:C-3:	C(N[5]C[5]N[5])(OC)(O)	O(CN[5]O)	O(CC[6a]HH)(CN[5]O)	C(N[5]C[5]N[5])(OC)(O)	O(CN[5]O)	O(CC[6a]HH)(CN[5]O)	125.5841	0.844	9	125.5841	0.713	9	124.7943	2.100	62	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N[5]-3:O-2:O-1:	C-3:	C-4:C-3:	C(N[5]C[5]O[5])(OC)(O)	O(CN[5]O)	O(CC[6a]HH)(CN[5]O)	C(N[5]C[5]O[5])(OC)(O)	O(CN[5]O)	O(CC[6a]HH)(CN[5]O)	127.2130	0.124	3	127.2130	0.015	3	124.7943	2.100	62	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N[5]-3:O-2:O-1:	C-3:	C-4:C-3:	C(N[5]C[5]S[5])(OC)(O)	O(CN[5]O)	O(CC[6a]HH)(CN[5]O)	C(N[5]C[5]S[5])(OC)(O)	O(CN[5]O)	O(CC[6a]HH)(CN[5]O)	126.8200	0.000	1	126.8200	0.000	1	124.7943	2.100	62	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N[5]-3:O-2:O-1:	C-3:	C[5]-4:C-3:	C(N[5]C[5]2)(OC[5])(O)	O(CN[5]O)	O(C[5]C[5,6]C[5]H)(CN[5]O)	C(N[5]C[5]2)(OC[5])(O)	O(CN[5]O)	O(C[5]C[5,6]C[5]H)(CN[5]O)	123.9200	0.000	1	123.9200	0.000	1	123.9200	0.000	1	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N[5]-3:O-2:O-1:	C-3:	C[6]-4:C-3:	C(N[5]C[5,6]C[5])(OC[6])(O)	O(CN[5]O)	O(C[6]C[6]2H)(CN[5]O)	C(N[5]C[5,6]C[5])(OC[6])(O)	O(CN[5]O)	O(C[6]C[6]2H)(CN[5]O)	124.5680	0.711	2	124.5680	0.506	2	124.9060	0.462	4	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N[5]-3:O-2:O-1:	C-3:	C[6]-4:C-3:	C(N[5]C[5]2)(OC[6])(O)	O(CN[5]O)	O(C[6]C[6]2H)(CN[5]O)	C(N[5]C[5]2)(OC[6])(O)	O(CN[5]O)	O(C[6]C[6]2H)(CN[5]O)	125.2440	0.651	2	125.2440	0.423	2	124.9060	0.462	4	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N[5a]-3:O-2:O-1:	C-3:	B-4:C-3:	C(N[5a]C[5a,6a]2)(OB)(O)	O(CN[5a]O)	O(BC[6a]3)(CN[5a]O)	C(N[5a]C[5a,6a]2)(OB)(O)	O(CN[5a]O)	O(BC[6a]3)(CN[5a]O)	126.3500	0.000	1	126.3500	0.000	1	126.3500	0.000	1	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N[5a]-3:O-2:O-1:	C-3:	C-4:C-3:	C(N[5a]C[5a,5a]C[5a])(OC)(O)	O(CN[5a]O)	O(CC[6a]HH)(CN[5a]O)	C(N[5a]C[5a,5a]C[5a])(OC)(O)	O(CN[5a]O)	O(CC[6a]HH)(CN[5a]O)	126.3460	0.000	1	126.3460	0.000	1	126.9841	0.331	8	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N[5a]-3:O-2:O-1:	C-3:	C-4:C-3:	C(N[5a]C[5a,6a]C[5a])(OC)(O)	O(CN[5a]O)	O(CC[6a]HH)(CN[5a]O)	C(N[5a]C[5a,6a]C[5a])(OC)(O)	O(CN[5a]O)	O(CC[6a]HH)(CN[5a]O)	126.9080	0.701	4	126.9080	0.491	4	126.9841	0.331	8	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N[5a]-3:O-2:O-1:	C-3:	C-4:C-3:	C(N[5a]C[5a]2)(OC)(O)	O(CN[5a]O)	O(CC[5,6]HH)(CN[5a]O)	C(N[5a]C[5a]2)(OC)(O)	O(CN[5a]O)	O(CC[5,6]HH)(CN[5a]O)	127.3160	0.000	1	127.3160	0.000	1	126.9841	0.331	8	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N[5a]-3:O-2:O-1:	C-3:	C-4:C-3:	C(N[5a]C[5a]2)(OC)(O)	O(CN[5a]O)	O(CC[6a]HH)(CN[5a]O)	C(N[5a]C[5a]2)(OC)(O)	O(CN[5a]O)	O(CC[6a]HH)(CN[5a]O)	127.0510	0.000	1	127.0510	0.000	1	126.9841	0.331	8	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N[5a]-3:O-2:O-1:	C-3:	C-4:C-3:	C(N[5a]C[5a]N[5a])(OC)(O)	O(CN[5a]O)	O(CC[5,6]HH)(CN[5a]O)	C(N[5a]C[5a]N[5a])(OC)(O)	O(CN[5a]O)	O(CC[5,6]HH)(CN[5a]O)	127.5280	0.000	1	127.5280	0.000	1	126.9841	0.331	8	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N[5a]-3:O-2:O-1:	C-3:	C[5]-4:C-3:	C(N[5a]C[5a]2)(OC[5])(O)	O(CN[5a]O)	O(C[5]C[5,6]C[5]H)(CN[5a]O)	C(N[5a]C[5a]2)(OC[5])(O)	O(CN[5a]O)	O(C[5]C[5,6]C[5]H)(CN[5a]O)	126.7874	0.410	5	126.7874	0.168	5	126.7874	0.168	5	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N[6,6]-3:O-2:O-1:	C-3:	C-4:C-3:	C(N[6,6]C[3x6]C[6,6])(OC)(O)	O(CN[6,6]O)	O(CC[6a]HH)(CN[6,6]O)	C(N[6,6]C[3x6]C[6,6])(OC)(O)	O(CN[6,6]O)	O(CC[6a]HH)(CN[6,6]O)	124.1340	0.000	1	124.1340	0.000	1	124.7110	3.690	8	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N[6,6]-3:O-2:O-1:	C-3:	C-4:C-3:	C(N[6,6]C[3x6]O[6,6])(OC)(O)	O(CN[6,6]O)	O(CC[6a]HH)(CN[6,6]O)	C(N[6,6]C[3x6]O[6,6])(OC)(O)	O(CN[6,6]O)	O(CC[6a]HH)(CN[6,6]O)	125.4757	1.086	6	125.4757	1.180	6	124.7110	3.690	8	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N[6,6]-3:O-2:O-1:	C-3:	C-4:C-3:	C(N[6,6]C[6,6]2)(OC)(O)	O(CN[6,6]O)	O(CC[6a]HH)(CN[6,6]O)	C(N[6,6]C[6,6]2)(OC)(O)	O(CN[6,6]O)	O(CC[6a]HH)(CN[6,6]O)	120.7000	0.000	1	120.7000	0.000	1	124.7110	3.690	8	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N[6]-3:O-2:O-1:	C-3:	B-4:C-3:	C(N[6]C[6]2)(OB)(O)	O(CN[6]O)	O(BC[6a]3)(CN[6]O)	C(N[6]C[6]2)(OB)(O)	O(CN[6]O)	O(BC[6a]3)(CN[6]O)	122.0660	0.000	1	122.0660	0.000	1	122.0660	0.000	1	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N[6]-3:O-2:O-1:	C-3:	C-4:C-3:	C(N[6]C[5,6]C[6])(OC)(O)	O(CN[6]O)	O(CC[6a]HH)(CN[6]O)	C(N[6]C[5,6]C[6])(OC)(O)	O(CN[6]O)	O(CC[6a]HH)(CN[6]O)	121.8802	2.099	4	121.8802	4.405	4	123.9003	1.725	36	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N[6]-3:O-2:O-1:	C-3:	C-4:C-3:	C(N[6]C[6,6]C[6])(OC)(O)	O(CN[6]O)	O(CC[6a]HH)(CN[6]O)	C(N[6]C[6,6]C[6])(OC)(O)	O(CN[6]O)	O(CC[6a]HH)(CN[6]O)	124.2380	0.038	2	124.2380	0.001	2	123.9003	1.725	36	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N[6]-3:O-2:O-1:	C-3:	C-4:C-3:	C(N[6]C[6]2)(OC)(O)	O(CN[6]O)	O(CC[5]HH)(CN[6]O)	C(N[6]C[6]2)(OC)(O)	O(CN[6]O)	O(CC[5]HH)(CN[6]O)	124.4742	0.928	4	124.4742	0.860	4	123.9003	1.725	36	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N[6]-3:O-2:O-1:	C-3:	C-4:C-3:	C(N[6]C[6]2)(OC)(O)	O(CN[6]O)	O(CC[6a]HH)(CN[6]O)	C(N[6]C[6]2)(OC)(O)	O(CN[6]O)	O(CC[6a]HH)(CN[6]O)	123.7707	0.855	20	123.7707	0.731	20	123.9003	1.725	36	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N[6]-3:O-2:O-1:	C-3:	C-4:C-3:	C(N[6]C[6]N[6])(OC)(O)	O(CN[6]O)	O(CC[6a]HH)(CN[6]O)	C(N[6]C[6]N[6])(OC)(O)	O(CN[6]O)	O(CC[6a]HH)(CN[6]O)	124.7880	0.000	1	124.7880	0.000	1	123.9003	1.725	36	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N[6]-3:O-2:O-1:	C-3:	C-4:C-3:	C(N[6]C[6]O[6])(OC)(O)	O(CN[6]O)	O(CC[6a]HH)(CN[6]O)	C(N[6]C[6]O[6])(OC)(O)	O(CN[6]O)	O(CC[6a]HH)(CN[6]O)	125.3298	0.881	4	125.3298	0.776	4	123.9003	1.725	36	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N[6]-3:O-2:O-1:	C-3:	C-4:C-3:	C(N[6]C[6]S[6])(OC)(O)	O(CN[6]O)	O(CC[6a]HH)(CN[6]O)	C(N[6]C[6]S[6])(OC)(O)	O(CN[6]O)	O(CC[6a]HH)(CN[6]O)	124.9960	0.000	1	124.9960	0.000	1	123.9003	1.725	36	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N[6]-3:O-2:O-1:	C-3:	C[3x6]-4:C-3:	C(N[6]C[6,6a]C[6])(OC[3x6])(O)	O(CN[6]O)	O(C[3x6]C[6,6]3)(CN[6]O)	C(N[6]C[6,6a]C[6])(OC[3x6])(O)	O(CN[6]O)	O(C[3x6]C[6,6]3)(CN[6]O)	126.5750	0.000	1	126.5750	0.000	1	126.5750	0.000	1	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N[6]-3:O-2:O-1:	C-3:	C[5]-4:C-3:	C(N[6]C[6]2)(OC[5])(O)	O(CN[6]O)	O(C[5]C[5,6a]N[5]H)(CN[6]O)	C(N[6]C[6]2)(OC[5])(O)	O(CN[6]O)	O(C[5]C[5,6a]N[5]H)(CN[6]O)	122.9427	1.277	3	122.9427	1.630	3	123.1672	1.288	4	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N[6]-3:O-2:O-1:	C-3:	C[5]-4:C-3:	C(N[6]C[6]2)(OC[5])(O)	O(CN[6]O)	O(C[5]C[5]2H)(CN[6]O)	C(N[6]C[6]2)(OC[5])(O)	O(CN[6]O)	O(C[5]C[5]2H)(CN[6]O)	123.8410	0.000	1	123.8410	0.000	1	123.1672	1.288	4	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N[6]-3:O-2:O-1:	C-3:	C[6]-4:C-3:	C(N[6]C[6,6a]C[6])(OC[6])(O)	O(CN[6]O)	O(C[6]C[6]2H)(CN[6]O)	C(N[6]C[6,6a]C[6])(OC[6])(O)	O(CN[6]O)	O(C[6]C[6]2H)(CN[6]O)	127.6090	0.000	1	127.6090	0.000	1	124.9051	4.518	8	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	4:3:	N[6]-3:O-2:O-1:	C-3:	C[6]-4:C-3:	C(N[6]C[6]2)(OC[6])(O)	O(CN[6]O)	O(C[6]C[6]2H)(CN[6]O)	C(N[6]C[6]2)(OC[6])(O)	O(CN[6]O)	O(C[6]C[6]2H)(CN[6]O)	124.5189	1.969	7	124.5189	3.878	7	124.9051	4.518	8	124.1906	2.814	5851	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	5:3:	C[6]-3:O-2:O-1:	C-3:	In-5:C-3:	C(C[6]C[6]N[6])(OIn)(O)	O(CC[6]O)	O(InCl3O)(CC[6]O)	C(C[6]C[6]N[6])(OIn)(O)	O(CC[6]O)	O(InCl3O)(CC[6]O)	121.2115	0.243	2	121.2115	0.059	2	121.2115	0.059	2	123.7255	5.668	8	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	5:3:	C[6a]-3:O-2:O-1:	C-3:	Ga[4x6]-5:C-3:	C(C[6a]C[6a]2)(OGa[4x6])(O)	O(CC[6a]O)	O(Ga[4x6]N[5a,6,6]4)(CC[6a]O)	C(C[6a]C[6a]2)(OGa[4x6])(O)	O(CC[6a]O)	O(Ga[4x6]N[5a,6,6]4)(CC[6a]O)	125.4180	0.000	1	125.4180	0.000	1	125.4180	0.000	1	123.7255	5.668	8	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	5:3:	C[6a]-3:O-2:O-1:	C-3:	In[4]-5:C-3:	C(C[6a]C[6a]N[6a])(OIn[4])(O)	O(CC[6a]O)	O(In[4]O[4]2OO)(CC[6a]O)	C(C[6a]C[6a]N[6a])(OIn[4])(O)	O(CC[6a]O)	O(In[4]O[4]2OO)(CC[6a]O)	125.3910	2.541	3	125.3910	6.456	3	125.3910	6.456	3	123.7255	5.668	8	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	5:3:	C[6a]-3:O-2:O-1:	C-3:	P[5,5]-5:C-3:	C(C[6a]C[6a]2)(OP[5,5])(O)	O(CC[6a]O)	O(P[5,5]N[5,5]N[5]2H)(CC[6a]O)	C(C[6a]C[6a]2)(OP[5,5])(O)	O(CC[6a]O)	O(P[5,5]N[5,5]N[5]2H)(CC[6a]O)	123.7610	0.000	1	123.7610	0.000	1	123.7610	0.000	1	123.7255	5.668	8	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	5:3:	C[6a]-3:O-2:O-1:	C-3:	Si[5,5]-5:C-3:	C(C[6a]C[6a]2)(OSi[5,5])(O)	O(CC[6a]O)	O(Si[5,5]Si[5,5]O[5]2C)(CC[6a]O)	C(C[6a]C[6a]2)(OSi[5,5])(O)	O(CC[6a]O)	O(Si[5,5]Si[5,5]O[5]2C)(CC[6a]O)	122.0290	0.000	1	122.0290	0.000	1	122.0290	0.000	1	123.7255	5.668	8	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	6:3:	C[6]-3:O-2:O-1:	C-3:	C[3]-6:C-3:	C(C[6]C[6]2)(OC[3])(O)	O(CC[6]O)	O(C[3]C[3]H[3]CHH)(CC[6]O)	C(C[6]C[6]2)(OC[3])(O)	O(CC[6]O)	O(C[3]C[3]H[3]CHH)(CC[6]O)	125.5440	0.000	1	125.5440	0.000	1	125.5440	0.000	1	124.6492	0.567	6	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	6:3:	C[6]-3:O-2:O-1:	C-3:	In[5,5]-6:C-3:	C(C[6]C[5,6]C[6])(OIn[5,5])(O)	O(CC[6]O)	O(In[5,5]N[5,6]2O[5]2O)(CC[6]O)	C(C[6]C[5,6]C[6])(OIn[5,5])(O)	O(CC[6]O)	O(In[5,5]N[5,6]2O[5]2O)(CC[6]O)	123.2550	0.000	1	123.2550	0.000	1	123.2550	0.000	1	124.6492	0.567	6	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	6:3:	C[6a]-3:O-2:O-1:	C-3:	Si[4x6]-6:C-3:	C(C[6a]C[6a,6a]2)(OSi[4x6])(O)	O(CC[6a]O)	O(Si[4x6]N[5a,6,6]4O)(CC[6a]O)	C(C[6a]C[6a,6a]2)(OSi[4x6])(O)	O(CC[6a]O)	O(Si[4x6]N[5a,6,6]4O)(CC[6a]O)	124.6870	0.000	1	124.6870	0.000	1	124.7740	0.010	4	124.6492	0.567	6	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	3:2:1:	3:	6:3:	C[6a]-3:O-2:O-1:	C-3:	Si[4x6]-6:C-3:	C(C[6a]C[6a]2)(OSi[4x6])(O)	O(CC[6a]O)	O(Si[4x6]N[5a,6,6]4O)(CC[6a]O)	C(C[6a]C[6a]2)(OSi[4x6])(O)	O(CC[6a]O)	O(Si[4x6]N[5a,6,6]4O)(CC[6a]O)	124.8030	0.096	3	124.8030	0.009	3	124.7740	0.010	4	124.6492	0.567	6	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	2:3:	C-4:O-2:O-1:	C-3:	C-2:C-3:	C(CCHO)(OC)(O)	O(CCO)	O(CC[6a])(CCO)	C(CCHO)(OC)(O)	O(CCO)	O(CC[6a])(CCO)	124.9540	0.000	1	124.9540	0.000	1	124.9540	0.000	1	124.3357	4.349	6	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	2:3:	C-4:O-2:O-1:	C-3:	I-2:C-3:	C(CH3)(OI)(O)	O(CCO)	O(IC[6a])(CCO)	C(CH3)(OI)(O)	O(CCO)	O(IC[6a])(CCO)	120.4760	0.000	1	120.4760	0.000	1	124.2417	10.639	3	124.3357	4.349	6	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	2:3:	C-4:O-2:O-1:	C-3:	I-2:C-3:	C(CH3)(OI)(O)	O(CCO)	O(IN[5])(CCO)	C(CH3)(OI)(O)	O(CCO)	O(IN[5])(CCO)	126.1245	0.090	2	126.1245	0.008	2	124.2417	10.639	3	124.3357	4.349	6	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	2:3:	C-4:O-2:O-1:	C-3:	N-2:C-3:	C(CC3)(ON)(O)	O(CCO)	O(NC[5a])(CCO)	C(CC3)(ON)(O)	O(CCO)	O(NC[5a])(CCO)	124.1680	0.000	1	124.1680	0.000	1	124.1675	0.000	2	124.3357	4.349	6	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	2:3:	C-4:O-2:O-1:	C-3:	N-2:C-3:	C(CH3)(ON)(O)	O(CCO)	O(NC[6])(CCO)	C(CH3)(ON)(O)	O(CCO)	O(NC[6])(CCO)	124.1670	0.000	1	124.1670	0.000	1	124.1675	0.000	2	124.3357	4.349	6	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	B-4:O-2:O-1:	C-3:	C-3:H-1:	C(BH3)(OH)(O)	O(CBO)	O(CBO)(H)	C(BH3)(OH)(O)	O(CBO)	O(CBO)(H)	116.8590	0.000	1	116.8590	0.000	1	117.4147	1.530	3	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	B-4:O-2:O-1:	C-3:	C-3:H-1:	C(BHHN)(OH)(O)	O(CBO)	O(CBO)(H)	C(BHHN)(OH)(O)	O(CBO)	O(CBO)(H)	118.8320	0.000	1	118.8320	0.000	1	117.4147	1.530	3	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	B-4:O-2:O-1:	C-3:	C-3:H-1:	C(BN[3x6]HH)(OH)(O)	O(CBO)	O(CBO)(H)	C(BN[3x6]HH)(OH)(O)	O(CBO)	O(CBO)(H)	116.5530	0.000	1	116.5530	0.000	1	117.4147	1.530	3	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C-4:O-2:O-1:	C-3:	C-3:C-1:	C(CN[6]CH)(OC)(O)	O(CCO)	O(CCO)(C)	C(CN[6]CH)(OC)(O)	O(CCO)	O(CCO)(C)	127.1330	0.000	1	127.1330	0.000	1	127.1330	0.000	1	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C-4:O-2:O-1:	C-3:	C-3:D-1:	C(CCDD)(OD)(O)	O(CCO)	O(CCO)(D)	C(CCDD)(OD)(O)	O(CCO)	O(CCO)(D)	124.3860	0.844	6	124.3860	0.713	6	125.1442	1.883	9	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C-4:O-2:O-1:	C-3:	C-3:D-1:	C(CN[3x6]HH)(OD)(O)	O(CCO)	O(CCO)(D)	C(CN[3x6]HH)(OD)(O)	O(CCO)	O(CCO)(D)	126.6607	0.759	3	126.6607	0.576	3	125.1442	1.883	9	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C-4:O-2:O-1:	C-3:	C-3:H-1:	C(CBr2H)(OH)(O)	O(CCO)	O(CCO)(H)	C(CBr2H)(OH)(O)	O(CCO)	O(CCO)(H)	126.2950	0.000	1	126.2950	0.000	1	123.8310	2.584	3715	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C-4:O-2:O-1:	C-3:	C-3:H-1:	C(CBr3)(OH)(O)	O(CCO)	O(CCO)(H)	C(CBr3)(OH)(O)	O(CCO)	O(CCO)(H)	126.1940	0.000	1	126.1940	0.000	1	123.8310	2.584	3715	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C-4:O-2:O-1:	C-3:	C-3:H-1:	C(CBrCC)(OH)(O)	O(CCO)	O(CCO)(H)	C(CBrCC)(OH)(O)	O(CCO)	O(CCO)(H)	124.7450	0.967	2	124.7450	0.936	2	123.8310	2.584	3715	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C-4:O-2:O-1:	C-3:	C-3:H-1:	C(CBrCH)(OH)(O)	O(CCO)	O(CCO)(H)	C(CBrCH)(OH)(O)	O(CCO)	O(CCO)(H)	125.0844	0.790	7	125.0844	0.624	7	123.8310	2.584	3715	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C-4:O-2:O-1:	C-3:	C-3:H-1:	C(CC3)(OH)(O)	O(CCO)	O(CCO)(H)	C(CC3)(OH)(O)	O(CCO)	O(CCO)(H)	123.0851	0.898	29	123.0851	0.806	29	123.8310	2.584	3715	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C-4:O-2:O-1:	C-3:	C-3:H-1:	C(CCCH)(OH)(O)	O(CCO)	O(CCO)(H)	C(CCCH)(OH)(O)	O(CCO)	O(CCO)(H)	123.0829	1.221	46	123.0829	1.492	46	123.8310	2.584	3715	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C-4:O-2:O-1:	C-3:	C-3:H-1:	C(CCCN)(OH)(O)	O(CCO)	O(CCO)(H)	C(CCCN)(OH)(O)	O(CCO)	O(CCO)(H)	124.0476	1.152	17	124.0476	1.328	17	123.8310	2.584	3715	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C-4:O-2:O-1:	C-3:	C-3:H-1:	C(CCCO)(OH)(O)	O(CCO)	O(CCO)(H)	C(CCCO)(OH)(O)	O(CCO)	O(CCO)(H)	124.7753	1.557	36	124.7753	2.424	36	123.8310	2.584	3715	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C-4:O-2:O-1:	C-3:	C-3:H-1:	C(CCCS)(OH)(O)	O(CCO)	O(CCO)(H)	C(CCCS)(OH)(O)	O(CCO)	O(CCO)(H)	123.6782	0.607	5	123.6782	0.368	5	123.8310	2.584	3715	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C-4:O-2:O-1:	C-3:	C-3:H-1:	C(CCFF)(OH)(O)	O(CCO)	O(CCO)(H)	C(CCFF)(OH)(O)	O(CCO)	O(CCO)(H)	127.6019	0.512	9	127.6019	0.263	9	123.8310	2.584	3715	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C-4:O-2:O-1:	C-3:	C-3:H-1:	C(CCHH)(OH)(O)	O(CCO)	O(CCO)(H)	C(CCHH)(OH)(O)	O(CCO)	O(CCO)(H)	122.9960	1.158	1470	122.9960	1.340	1470	123.8310	2.584	3715	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C-4:O-2:O-1:	C-3:	C-3:H-1:	C(CCHN)(OH)(O)	O(CCO)	O(CCO)(H)	C(CCHN)(OH)(O)	O(CCO)	O(CCO)(H)	124.9431	1.271	461	124.9431	1.616	461	123.8310	2.584	3715	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C-4:O-2:O-1:	C-3:	C-3:H-1:	C(CCHO)(OH)(O)	O(CCO)	O(CCO)(H)	C(CCHO)(OH)(O)	O(CCO)	O(CCO)(H)	125.1821	1.207	365	125.1821	1.456	365	123.8310	2.584	3715	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C-4:O-2:O-1:	C-3:	C-3:H-1:	C(CCHS)(OH)(O)	O(CCO)	O(CCO)(H)	C(CCHS)(OH)(O)	O(CCO)	O(CCO)(H)	124.8695	0.480	2	124.8695	0.231	2	123.8310	2.584	3715	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C-4:O-2:O-1:	C-3:	C-3:H-1:	C(CC[3]2O)(OH)(O)	O(CCO)	O(CCO)(H)	C(CC[3]2O)(OH)(O)	O(CCO)	O(CCO)(H)	124.3500	0.000	1	124.3500	0.000	1	123.8310	2.584	3715	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C-4:O-2:O-1:	C-3:	C-3:H-1:	C(CC[3]C[6]H)(OH)(O)	O(CCO)	O(CCO)(H)	C(CC[3]C[6]H)(OH)(O)	O(CCO)	O(CCO)(H)	123.2420	0.000	1	123.2420	0.000	1	123.8310	2.584	3715	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C-4:O-2:O-1:	C-3:	C-3:H-1:	C(CC[3]HH)(OH)(O)	O(CCO)	O(CCO)(H)	C(CC[3]HH)(OH)(O)	O(CCO)	O(CCO)(H)	123.3717	0.561	3	123.3717	0.315	3	123.8310	2.584	3715	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C-4:O-2:O-1:	C-3:	C-3:H-1:	C(CC[3]HN)(OH)(O)	O(CCO)	O(CCO)(H)	C(CC[3]HN)(OH)(O)	O(CCO)	O(CCO)(H)	126.1260	0.000	1	126.1260	0.000	1	123.8310	2.584	3715	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C-4:O-2:O-1:	C-3:	C-3:H-1:	C(CC[3x6]HH)(OH)(O)	O(CCO)	O(CCO)(H)	C(CC[3x6]HH)(OH)(O)	O(CCO)	O(CCO)(H)	121.6636	0.880	12	121.6636	0.774	12	123.8310	2.584	3715	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C-4:O-2:O-1:	C-3:	C-3:H-1:	C(CC[4]HH)(OH)(O)	O(CCO)	O(CCO)(H)	C(CC[4]HH)(OH)(O)	O(CCO)	O(CCO)(H)	122.8240	0.818	3	122.8240	0.668	3	123.8310	2.584	3715	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C-4:O-2:O-1:	C-3:	C-3:H-1:	C(CC[5,5,6]CH)(OH)(O)	O(CCO)	O(CCO)(H)	C(CC[5,5,6]CH)(OH)(O)	O(CCO)	O(CCO)(H)	122.7910	0.000	1	122.7910	0.000	1	123.8310	2.584	3715	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C-4:O-2:O-1:	C-3:	C-3:H-1:	C(CC[5,5,6]HH)(OH)(O)	O(CCO)	O(CCO)(H)	C(CC[5,5,6]HH)(OH)(O)	O(CCO)	O(CCO)(H)	123.1340	0.000	1	123.1340	0.000	1	123.8310	2.584	3715	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C-4:O-2:O-1:	C-3:	C-3:H-1:	C(CC[5,5]HH)(OH)(O)	O(CCO)	O(CCO)(H)	C(CC[5,5]HH)(OH)(O)	O(CCO)	O(CCO)(H)	123.2890	0.000	1	123.2890	0.000	1	123.8310	2.584	3715	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C-4:O-2:O-1:	C-3:	C-3:H-1:	C(CC[5,6]CH)(OH)(O)	O(CCO)	O(CCO)(H)	C(CC[5,6]CH)(OH)(O)	O(CCO)	O(CCO)(H)	122.6195	0.288	2	122.6195	0.083	2	123.8310	2.584	3715	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C-4:O-2:O-1:	C-3:	C-3:H-1:	C(CC[5,6]HH)(OH)(O)	O(CCO)	O(CCO)(H)	C(CC[5,6]HH)(OH)(O)	O(CCO)	O(CCO)(H)	122.8780	0.000	1	122.8780	0.000	1	123.8310	2.584	3715	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C-4:O-2:O-1:	C-3:	C-3:H-1:	C(CC[5]CH)(OH)(O)	O(CCO)	O(CCO)(H)	C(CC[5]CH)(OH)(O)	O(CCO)	O(CCO)(H)	122.9651	1.011	21	122.9651	1.022	21	123.8310	2.584	3715	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C-4:O-2:O-1:	C-3:	C-3:H-1:	C(CC[5]FH)(OH)(O)	O(CCO)	O(CCO)(H)	C(CC[5]FH)(OH)(O)	O(CCO)	O(CCO)(H)	125.3120	0.000	1	125.3120	0.000	1	123.8310	2.584	3715	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C-4:O-2:O-1:	C-3:	C-3:H-1:	C(CC[5]HH)(OH)(O)	O(CCO)	O(CCO)(H)	C(CC[5]HH)(OH)(O)	O(CCO)	O(CCO)(H)	122.8646	1.521	36	122.8646	2.315	36	123.8310	2.584	3715	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C-4:O-2:O-1:	C-3:	C-3:H-1:	C(CC[5]HN)(OH)(O)	O(CCO)	O(CCO)(H)	C(CC[5]HN)(OH)(O)	O(CCO)	O(CCO)(H)	124.5860	0.355	2	124.5860	0.126	2	123.8310	2.584	3715	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C-4:O-2:O-1:	C-3:	C-3:H-1:	C(CC[5]HO)(OH)(O)	O(CCO)	O(CCO)(H)	C(CC[5]HO)(OH)(O)	O(CCO)	O(CCO)(H)	123.7745	0.527	2	123.7745	0.278	2	123.8310	2.584	3715	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C-4:O-2:O-1:	C-3:	C-3:H-1:	C(CC[5a]CH)(OH)(O)	O(CCO)	O(CCO)(H)	C(CC[5a]CH)(OH)(O)	O(CCO)	O(CCO)(H)	123.0460	0.000	1	123.0460	0.000	1	123.8310	2.584	3715	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C-4:O-2:O-1:	C-3:	C-3:H-1:	C(CC[5a]HH)(OH)(O)	O(CCO)	O(CCO)(H)	C(CC[5a]HH)(OH)(O)	O(CCO)	O(CCO)(H)	123.5244	1.044	61	123.5244	1.090	61	123.8310	2.584	3715	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C-4:O-2:O-1:	C-3:	C-3:H-1:	C(CC[6,6]CO)(OH)(O)	O(CCO)	O(CCO)(H)	C(CC[6,6]CO)(OH)(O)	O(CCO)	O(CCO)(H)	123.9595	1.324	2	123.9595	1.754	2	123.8310	2.584	3715	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C-4:O-2:O-1:	C-3:	C-3:H-1:	C(CC[6,6]HH)(OH)(O)	O(CCO)	O(CCO)(H)	C(CC[6,6]HH)(OH)(O)	O(CCO)	O(CCO)(H)	122.8380	2.169	2	122.8380	4.706	2	123.8310	2.584	3715	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C-4:O-2:O-1:	C-3:	C-3:H-1:	C(CC[6]CC)(OH)(O)	O(CCO)	O(CCO)(H)	C(CC[6]CC)(OH)(O)	O(CCO)	O(CCO)(H)	123.1310	0.000	1	123.1310	0.000	1	123.8310	2.584	3715	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C-4:O-2:O-1:	C-3:	C-3:H-1:	C(CC[6]CH)(OH)(O)	O(CCO)	O(CCO)(H)	C(CC[6]CH)(OH)(O)	O(CCO)	O(CCO)(H)	123.4081	0.809	14	123.4081	0.654	14	123.8310	2.584	3715	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C-4:O-2:O-1:	C-3:	C-3:H-1:	C(CC[6]CO)(OH)(O)	O(CCO)	O(CCO)(H)	C(CC[6]CO)(OH)(O)	O(CCO)	O(CCO)(H)	124.7830	0.000	1	124.7830	0.000	1	123.8310	2.584	3715	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C-4:O-2:O-1:	C-3:	C-3:H-1:	C(CC[6]HH)(OH)(O)	O(CCO)	O(CCO)(H)	C(CC[6]HH)(OH)(O)	O(CCO)	O(CCO)(H)	122.6107	1.110	52	122.6107	1.233	52	123.8310	2.584	3715	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C-4:O-2:O-1:	C-3:	C-3:H-1:	C(CC[6]HN)(OH)(O)	O(CCO)	O(CCO)(H)	C(CC[6]HN)(OH)(O)	O(CCO)	O(CCO)(H)	125.7165	0.424	2	125.7165	0.179	2	123.8310	2.584	3715	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C-4:O-2:O-1:	C-3:	C-3:H-1:	C(CC[6]HO)(OH)(O)	O(CCO)	O(CCO)(H)	C(CC[6]HO)(OH)(O)	O(CCO)	O(CCO)(H)	124.9330	0.000	1	124.9330	0.000	1	123.8310	2.584	3715	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C-4:O-2:O-1:	C-3:	C-3:H-1:	C(CC[6a]2C)(OH)(O)	O(CCO)	O(CCO)(H)	C(CC[6a]2C)(OH)(O)	O(CCO)	O(CCO)(H)	122.7834	0.867	5	122.7834	0.752	5	123.8310	2.584	3715	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C-4:O-2:O-1:	C-3:	C-3:H-1:	C(CC[6a]2H)(OH)(O)	O(CCO)	O(CCO)(H)	C(CC[6a]2H)(OH)(O)	O(CCO)	O(CCO)(H)	124.2320	0.000	1	124.2320	0.000	1	123.8310	2.584	3715	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C-4:O-2:O-1:	C-3:	C-3:H-1:	C(CC[6a]2O)(OH)(O)	O(CCO)	O(CCO)(H)	C(CC[6a]2O)(OH)(O)	O(CCO)	O(CCO)(H)	125.3340	0.000	1	125.3340	0.000	1	123.8310	2.584	3715	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C-4:O-2:O-1:	C-3:	C-3:H-1:	C(CC[6a]3)(OH)(O)	O(CCO)	O(CCO)(H)	C(CC[6a]3)(OH)(O)	O(CCO)	O(CCO)(H)	123.6790	0.000	1	123.6790	0.000	1	123.8310	2.584	3715	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C-4:O-2:O-1:	C-3:	C-3:H-1:	C(CC[6a]CC)(OH)(O)	O(CCO)	O(CCO)(H)	C(CC[6a]CC)(OH)(O)	O(CCO)	O(CCO)(H)	122.6248	0.841	6	122.6248	0.708	6	123.8310	2.584	3715	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C-4:O-2:O-1:	C-3:	C-3:H-1:	C(CC[6a]CH)(OH)(O)	O(CCO)	O(CCO)(H)	C(CC[6a]CH)(OH)(O)	O(CCO)	O(CCO)(H)	123.2421	0.866	98	123.2421	0.749	98	123.8310	2.584	3715	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C-4:O-2:O-1:	C-3:	C-3:H-1:	C(CC[6a]CO)(OH)(O)	O(CCO)	O(CCO)(H)	C(CC[6a]CO)(OH)(O)	O(CCO)	O(CCO)(H)	124.6719	0.743	7	124.6719	0.552	7	123.8310	2.584	3715	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C-4:O-2:O-1:	C-3:	C-3:H-1:	C(CC[6a]C[5]H)(OH)(O)	O(CCO)	O(CCO)(H)	C(CC[6a]C[5]H)(OH)(O)	O(CCO)	O(CCO)(H)	119.9960	0.000	1	119.9960	0.000	1	123.8310	2.584	3715	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C-4:O-2:O-1:	C-3:	C-3:H-1:	C(CC[6a]C[5]O)(OH)(O)	O(CCO)	O(CCO)(H)	C(CC[6a]C[5]O)(OH)(O)	O(CCO)	O(CCO)(H)	124.4500	0.366	2	124.4500	0.134	2	123.8310	2.584	3715	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C-4:O-2:O-1:	C-3:	C-3:H-1:	C(CC[6a]FF)(OH)(O)	O(CCO)	O(CCO)(H)	C(CC[6a]FF)(OH)(O)	O(CCO)	O(CCO)(H)	126.2480	0.000	1	126.2480	0.000	1	123.8310	2.584	3715	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C-4:O-2:O-1:	C-3:	C-3:H-1:	C(CC[6a]HH)(OH)(O)	O(CCO)	O(CCO)(H)	C(CC[6a]HH)(OH)(O)	O(CCO)	O(CCO)(H)	123.1113	1.049	89	123.1113	1.101	89	123.8310	2.584	3715	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C-4:O-2:O-1:	C-3:	C-3:H-1:	C(CC[6a]HN)(OH)(O)	O(CCO)	O(CCO)(H)	C(CC[6a]HN)(OH)(O)	O(CCO)	O(CCO)(H)	125.4782	0.812	19	125.4782	0.660	19	123.8310	2.584	3715	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C-4:O-2:O-1:	C-3:	C-3:H-1:	C(CC[6a]HO)(OH)(O)	O(CCO)	O(CCO)(H)	C(CC[6a]HO)(OH)(O)	O(CCO)	O(CCO)(H)	124.8306	1.019	75	124.8306	1.039	75	123.8310	2.584	3715	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C-4:O-2:O-1:	C-3:	C-3:H-1:	C(CC[6a]HS)(OH)(O)	O(CCO)	O(CCO)(H)	C(CC[6a]HS)(OH)(O)	O(CCO)	O(CCO)(H)	123.6410	0.000	1	123.6410	0.000	1	123.8310	2.584	3715	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C-4:O-2:O-1:	C-3:	C-3:H-1:	C(CCl2H)(OH)(O)	O(CCO)	O(CCO)(H)	C(CCl2H)(OH)(O)	O(CCO)	O(CCO)(H)	126.3403	1.420	6	126.3403	2.015	6	123.8310	2.584	3715	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C-4:O-2:O-1:	C-3:	C-3:H-1:	C(CCl3)(OH)(O)	O(CCO)	O(CCO)(H)	C(CCl3)(OH)(O)	O(CCO)	O(CCO)(H)	127.5746	1.613	7	127.5746	2.601	7	123.8310	2.584	3715	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C-4:O-2:O-1:	C-3:	C-3:H-1:	C(CClCH)(OH)(O)	O(CCO)	O(CCO)(H)	C(CClCH)(OH)(O)	O(CCO)	O(CCO)(H)	126.3710	0.000	1	126.3710	0.000	1	123.8310	2.584	3715	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C-4:O-2:O-1:	C-3:	C-3:H-1:	C(CClHH)(OH)(O)	O(CCO)	O(CCO)(H)	C(CClHH)(OH)(O)	O(CCO)	O(CCO)(H)	125.7277	0.290	3	125.7277	0.084	3	123.8310	2.584	3715	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C-4:O-2:O-1:	C-3:	C-3:H-1:	C(CCuCH)(OH)(O)	O(CCO)	O(CCO)(H)	C(CCuCH)(OH)(O)	O(CCO)	O(CCO)(H)	124.4250	0.000	1	124.4250	0.000	1	123.8310	2.584	3715	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C-4:O-2:O-1:	C-3:	C-3:H-1:	C(CF3)(OH)(O)	O(CCO)	O(CCO)(H)	C(CF3)(OH)(O)	O(CCO)	O(CCO)(H)	129.0253	0.541	20	129.0253	0.293	20	123.8310	2.584	3715	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C-4:O-2:O-1:	C-3:	C-3:H-1:	C(CFeCH)(OH)(O)	O(CCO)	O(CCO)(H)	C(CFeCH)(OH)(O)	O(CCO)	O(CCO)(H)	122.9080	0.000	1	122.9080	0.000	1	123.8310	2.584	3715	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C-4:O-2:O-1:	C-3:	C-3:H-1:	C(CH3)(OH)(O)	O(CCO)	O(CCO)(H)	C(CH3)(OH)(O)	O(CCO)	O(CCO)(H)	122.2825	1.542	130	122.2825	2.379	130	123.8310	2.584	3715	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C-4:O-2:O-1:	C-3:	C-3:H-1:	C(CHHN)(OH)(O)	O(CCO)	O(CCO)(H)	C(CHHN)(OH)(O)	O(CCO)	O(CCO)(H)	124.6592	1.479	213	124.6592	2.188	213	123.8310	2.584	3715	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C-4:O-2:O-1:	C-3:	C-3:H-1:	C(CHHO)(OH)(O)	O(CCO)	O(CCO)(H)	C(CHHO)(OH)(O)	O(CCO)	O(CCO)(H)	124.4487	1.159	110	124.4487	1.343	110	123.8310	2.584	3715	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C-4:O-2:O-1:	C-3:	C-3:H-1:	C(CHHP)(OH)(O)	O(CCO)	O(CCO)(H)	C(CHHP)(OH)(O)	O(CCO)	O(CCO)(H)	123.4594	0.605	10	123.4594	0.365	10	123.8310	2.584	3715	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C-4:O-2:O-1:	C-3:	C-3:H-1:	C(CHHS)(OH)(O)	O(CCO)	O(CCO)(H)	C(CHHS)(OH)(O)	O(CCO)	O(CCO)(H)	124.0191	1.260	55	124.0191	1.589	55	123.8310	2.584	3715	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C-4:O-2:O-1:	C-3:	C-3:H-1:	C(CN[3x6]HH)(OH)(O)	O(CCO)	O(CCO)(H)	C(CN[3x6]HH)(OH)(O)	O(CCO)	O(CCO)(H)	126.4953	0.240	3	126.4953	0.057	3	123.8310	2.584	3715	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C-4:O-2:O-1:	C-3:	C-3:H-1:	C(CN[5]CH)(OH)(O)	O(CCO)	O(CCO)(H)	C(CN[5]CH)(OH)(O)	O(CCO)	O(CCO)(H)	124.0052	0.603	22	124.0052	0.364	22	123.8310	2.584	3715	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C-4:O-2:O-1:	C-3:	C-3:H-1:	C(CN[5]HH)(OH)(O)	O(CCO)	O(CCO)(H)	C(CN[5]HH)(OH)(O)	O(CCO)	O(CCO)(H)	125.3863	0.967	42	125.3863	0.936	42	123.8310	2.584	3715	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C-4:O-2:O-1:	C-3:	C-3:H-1:	C(CN[5a]2H)(OH)(O)	O(CCO)	O(CCO)(H)	C(CN[5a]2H)(OH)(O)	O(CCO)	O(CCO)(H)	123.3625	1.594	4	123.3625	2.540	4	123.8310	2.584	3715	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C-4:O-2:O-1:	C-3:	C-3:H-1:	C(CN[5a]CH)(OH)(O)	O(CCO)	O(CCO)(H)	C(CN[5a]CH)(OH)(O)	O(CCO)	O(CCO)(H)	125.9460	0.000	1	125.9460	0.000	1	123.8310	2.584	3715	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C-4:O-2:O-1:	C-3:	C-3:H-1:	C(CN[5a]HH)(OH)(O)	O(CCO)	O(CCO)(H)	C(CN[5a]HH)(OH)(O)	O(CCO)	O(CCO)(H)	125.1011	0.904	43	125.1011	0.818	43	123.8310	2.584	3715	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C-4:O-2:O-1:	C-3:	C-3:H-1:	C(CN[6]CH)(OH)(O)	O(CCO)	O(CCO)(H)	C(CN[6]CH)(OH)(O)	O(CCO)	O(CCO)(H)	124.6046	0.828	12	124.6046	0.686	12	123.8310	2.584	3715	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C-4:O-2:O-1:	C-3:	C-3:H-1:	C(CN[6]HH)(OH)(O)	O(CCO)	O(CCO)(H)	C(CN[6]HH)(OH)(O)	O(CCO)	O(CCO)(H)	125.1691	1.242	20	125.1691	1.543	20	123.8310	2.584	3715	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C-4:O-2:O-1:	C-3:	C-3:H-1:	C(CN[6a]CH)(OH)(O)	O(CCO)	O(CCO)(H)	C(CN[6a]CH)(OH)(O)	O(CCO)	O(CCO)(H)	125.5320	0.000	1	125.5320	0.000	1	123.8310	2.584	3715	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C-4:O-2:O-1:	C-3:	C-3:H-1:	C(CN[6a]HH)(OH)(O)	O(CCO)	O(CCO)(H)	C(CN[6a]HH)(OH)(O)	O(CCO)	O(CCO)(H)	124.7996	0.844	16	124.7996	0.713	16	123.8310	2.584	3715	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C-4:O-2:O-1:	C-3:	C-3:H-1:	C(CPdCH)(OH)(O)	O(CCO)	O(CCO)(H)	C(CPdCH)(OH)(O)	O(CCO)	O(CCO)(H)	121.2415	0.050	2	121.2415	0.003	2	123.8310	2.584	3715	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C-4:O-2:O-1:	C-3:	C-3:H-1:	C(CPtHH)(OH)(O)	O(CCO)	O(CCO)(H)	C(CPtHH)(OH)(O)	O(CCO)	O(CCO)(H)	121.3785	0.705	2	121.3785	0.497	2	123.8310	2.584	3715	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C-4:O-2:O-1:	C-3:	C-3:H-1:	C(CRuCH)(OH)(O)	O(CCO)	O(CCO)(H)	C(CRuCH)(OH)(O)	O(CCO)	O(CCO)(H)	121.4870	0.000	1	121.4870	0.000	1	123.8310	2.584	3715	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C-4:O-2:O-1:	C-3:	C-3:H-1:	C(CS[5,6]HH)(OH)(O)	O(CCO)	O(CCO)(H)	C(CS[5,6]HH)(OH)(O)	O(CCO)	O(CCO)(H)	125.4410	0.000	1	125.4410	0.000	1	123.8310	2.584	3715	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C-4:O-2:O-1:	C-3:	C-3:H-1:	C(CSeHH)(OH)(O)	O(CCO)	O(CCO)(H)	C(CSeHH)(OH)(O)	O(CCO)	O(CCO)(H)	124.6335	0.269	2	124.6335	0.073	2	123.8310	2.584	3715	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C-4:O-2:O-1:	C-3:	C-3:H-1:	C(CSiCO)(OH)(O)	O(CCO)	O(CCO)(H)	C(CSiCO)(OH)(O)	O(CCO)	O(CCO)(H)	124.1945	0.260	2	124.1945	0.067	2	123.8310	2.584	3715	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C-4:O-2:O-1:	C-3:	C-3:In-1:	C(CF3)(OIn)(O)	O(CCO)	O(CCO)(In)	C(CF3)(OIn)(O)	O(CCO)	O(CCO)(In)	132.3380	0.000	1	132.3380	0.000	1	132.3380	0.000	1	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C-4:O-2:O-1:	C-3:	C-3:O-1:	C(CCHH)(OO)(O)	O(CCO)	O(CCO)(O)	C(CCHH)(OO)(O)	O(CCO)	O(CCO)(O)	123.6975	1.729	2	123.6975	2.989	2	124.4893	3.376	3	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C-4:O-2:O-1:	C-3:	C-3:O-1:	C(CN[5]HH)(OO)(O)	O(CCO)	O(CCO)(O)	C(CN[5]HH)(OO)(O)	O(CCO)	O(CCO)(O)	126.0730	0.000	1	126.0730	0.000	1	124.4893	3.376	3	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C[3,5]-4:O-2:O-1:	C-3:	C-3:H-1:	C(C[3,5]C[3,5]C[3]C[5])(OH)(O)	O(CC[3,5]O)	O(CC[3,5]O)(H)	C(C[3,5]C[3,5]C[3]C[5])(OH)(O)	O(CC[3,5]O)	O(CC[3,5]O)(H)	122.9210	0.000	1	122.9210	0.000	1	122.9210	0.000	1	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C[3]-4:O-2:O-1:	C-3:	C-3:H-1:	C(C[3]C[3,5]2C)(OH)(O)	O(CC[3]O)	O(CC[3]O)(H)	C(C[3]C[3,5]2C)(OH)(O)	O(CC[3]O)	O(CC[3]O)(H)	123.9860	0.000	1	123.9860	0.000	1	123.1206	0.830	61	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C[3]-4:O-2:O-1:	C-3:	C-3:H-1:	C(C[3]C[3,5]2C[6])(OH)(O)	O(CC[3]O)	O(CC[3]O)(H)	C(C[3]C[3,5]2C[6])(OH)(O)	O(CC[3]O)	O(CC[3]O)(H)	121.9460	1.004	2	121.9460	1.008	2	123.1206	0.830	61	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C[3]-4:O-2:O-1:	C-3:	C-3:H-1:	C(C[3]C[3,5]2C[6a])(OH)(O)	O(CC[3]O)	O(CC[3]O)(H)	C(C[3]C[3,5]2C[6a])(OH)(O)	O(CC[3]O)	O(CC[3]O)(H)	122.0175	0.139	2	122.0175	0.019	2	123.1206	0.830	61	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C[3]-4:O-2:O-1:	C-3:	C-3:H-1:	C(C[3]C[3,5]2H)(OH)(O)	O(CC[3]O)	O(CC[3]O)(H)	C(C[3]C[3,5]2H)(OH)(O)	O(CC[3]O)	O(CC[3]O)(H)	123.5275	0.087	2	123.5275	0.008	2	123.1206	0.830	61	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C[3]-4:O-2:O-1:	C-3:	C-3:H-1:	C(C[3]C[3,6,6]2H)(OH)(O)	O(CC[3]O)	O(CC[3]O)(H)	C(C[3]C[3,6,6]2H)(OH)(O)	O(CC[3]O)	O(CC[3]O)(H)	122.8265	0.245	4	122.8265	0.060	4	123.1206	0.830	61	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C[3]-4:O-2:O-1:	C-3:	C-3:H-1:	C(C[3]C[3,6]2H)(OH)(O)	O(CC[3]O)	O(CC[3]O)(H)	C(C[3]C[3,6]2H)(OH)(O)	O(CC[3]O)	O(CC[3]O)(H)	123.7913	0.094	3	123.7913	0.009	3	123.1206	0.830	61	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C[3]-4:O-2:O-1:	C-3:	C-3:H-1:	C(C[3]C[3]2C)(OH)(O)	O(CC[3]O)	O(CC[3]O)(H)	C(C[3]C[3]2C)(OH)(O)	O(CC[3]O)	O(CC[3]O)(H)	122.4594	1.173	10	122.4594	1.377	10	123.1206	0.830	61	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C[3]-4:O-2:O-1:	C-3:	C-3:H-1:	C(C[3]C[3]2C[5])(OH)(O)	O(CC[3]O)	O(CC[3]O)(H)	C(C[3]C[3]2C[5])(OH)(O)	O(CC[3]O)	O(CC[3]O)(H)	123.1016	0.744	5	123.1016	0.554	5	123.1206	0.830	61	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C[3]-4:O-2:O-1:	C-3:	C-3:H-1:	C(C[3]C[3]2F)(OH)(O)	O(CC[3]O)	O(CC[3]O)(H)	C(C[3]C[3]2F)(OH)(O)	O(CC[3]O)	O(CC[3]O)(H)	125.3310	0.799	2	125.3310	0.638	2	123.1206	0.830	61	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C[3]-4:O-2:O-1:	C-3:	C-3:H-1:	C(C[3]C[3]2H)(OH)(O)	O(CC[3]O)	O(CC[3]O)(H)	C(C[3]C[3]2H)(OH)(O)	O(CC[3]O)	O(CC[3]O)(H)	123.1535	0.537	26	123.1535	0.288	26	123.1206	0.830	61	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C[3]-4:O-2:O-1:	C-3:	C-3:H-1:	C(C[3]C[3]2N)(OH)(O)	O(CC[3]O)	O(CC[3]O)(H)	C(C[3]C[3]2N)(OH)(O)	O(CC[3]O)	O(CC[3]O)(H)	123.4650	0.000	1	123.4650	0.000	1	123.1206	0.830	61	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C[3]-4:O-2:O-1:	C-3:	C-3:H-1:	C(C[3]C[3]2O)(OH)(O)	O(CC[3]O)	O(CC[3]O)(H)	C(C[3]C[3]2O)(OH)(O)	O(CC[3]O)	O(CC[3]O)(H)	124.2520	0.000	1	124.2520	0.000	1	123.1206	0.830	61	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C[3]-4:O-2:O-1:	C-3:	C-3:H-1:	C(C[3]C[3]N[3]H)(OH)(O)	O(CC[3]O)	O(CC[3]O)(H)	C(C[3]C[3]N[3]H)(OH)(O)	O(CC[3]O)	O(CC[3]O)(H)	124.6680	0.000	1	124.6680	0.000	1	123.1206	0.830	61	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C[3]-4:O-2:O-1:	C-3:	C-3:H-1:	C(C[3]C[6a]C[3]O[3])(OH)(O)	O(CC[3]O)	O(CC[3]O)(H)	C(C[3]C[6a]C[3]O[3])(OH)(O)	O(CC[3]O)	O(CC[3]O)(H)	123.5690	0.000	1	123.5690	0.000	1	123.1206	0.830	61	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C[3x4,3x6]-4:O-2:O-1:	C-3:	C-3:H-1:	C(C[3x4,3x6]C[3x4,3x6]3)(OH)(O)	O(CC[3x4,3x6]O)	O(CC[3x4,3x6]O)(H)	C(C[3x4,3x6]C[3x4,3x6]3)(OH)(O)	O(CC[3x4,3x6]O)	O(CC[3x4,3x6]O)(H)	121.5599	1.733	7	121.5599	3.004	7	121.5599	3.004	7	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C[3x4]-4:O-2:O-1:	C-3:	C-3:H-1:	C(C[3x4]C[4,4]3)(OH)(O)	O(CC[3x4]O)	O(CC[3x4]O)(H)	C(C[3x4]C[4,4]3)(OH)(O)	O(CC[3x4]O)	O(CC[3x4]O)(H)	124.6935	0.677	10	124.6935	0.459	10	124.6935	0.459	10	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C[3x6]-4:O-2:O-1:	C-3:	C-3:H-1:	C(C[3x6]C[6,6]3)(OH)(O)	O(CC[3x6]O)	O(CC[3x6]O)(H)	C(C[3x6]C[6,6]3)(OH)(O)	O(CC[3x6]O)	O(CC[3x6]O)(H)	122.4864	0.689	27	122.4864	0.474	27	122.4864	0.474	27	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C[4,5]-4:O-2:O-1:	C-3:	C-3:H-1:	C(C[4,5]C[4,5,5]2H)(OH)(O)	O(CC[4,5]O)	O(CC[4,5]O)(H)	C(C[4,5]C[4,5,5]2H)(OH)(O)	O(CC[4,5]O)	O(CC[4,5]O)(H)	123.9470	0.000	1	123.9470	0.000	1	124.5107	0.242	3	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C[4,5]-4:O-2:O-1:	C-3:	C-3:H-1:	C(C[4,5]C[4,5]2S[5])(OH)(O)	O(CC[4,5]O)	O(CC[4,5]O)(H)	C(C[4,5]C[4,5]2S[5])(OH)(O)	O(CC[4,5]O)	O(CC[4,5]O)(H)	124.7925	0.091	2	124.7925	0.008	2	124.5107	0.242	3	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C[4,6,6]-4:O-2:O-1:	C-3:	C-3:H-1:	C(C[4,6,6]C[4,6]C[6,6]N[4,6])(OH)(O)	O(CC[4,6,6]O)	O(CC[4,6,6]O)(H)	C(C[4,6,6]C[4,6]C[6,6]N[4,6])(OH)(O)	O(CC[4,6,6]O)	O(CC[4,6,6]O)(H)	122.1730	0.000	1	122.1730	0.000	1	122.1730	0.000	1	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C[4,6]-4:O-2:O-1:	C-3:	C-3:H-1:	C(C[4,6]C[4,4,6]2H)(OH)(O)	O(CC[4,6]O)	O(CC[4,6]O)(H)	C(C[4,6]C[4,4,6]2H)(OH)(O)	O(CC[4,6]O)	O(CC[4,6]O)(H)	123.8330	0.000	1	123.8330	0.000	1	123.8330	0.000	1	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C[4]-4:O-2:O-1:	C-3:	C-3:H-1:	C(C[4]C[4,5]C[4]H)(OH)(O)	O(CC[4]O)	O(CC[4]O)(H)	C(C[4]C[4,5]C[4]H)(OH)(O)	O(CC[4]O)	O(CC[4]O)(H)	123.0058	1.002	4	123.0058	1.005	4	123.6903	1.011	96	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C[4]-4:O-2:O-1:	C-3:	C-3:H-1:	C(C[4]C[4,6a]C[4]H)(OH)(O)	O(CC[4]O)	O(CC[4]O)(H)	C(C[4]C[4,6a]C[4]H)(OH)(O)	O(CC[4]O)	O(CC[4]O)(H)	122.8950	0.000	1	122.8950	0.000	1	123.6903	1.011	96	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C[4]-4:O-2:O-1:	C-3:	C-3:H-1:	C(C[4]C[4]2C)(OH)(O)	O(CC[4]O)	O(CC[4]O)(H)	C(C[4]C[4]2C)(OH)(O)	O(CC[4]O)	O(CC[4]O)(H)	123.7264	0.913	11	123.7264	0.834	11	123.6903	1.011	96	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C[4]-4:O-2:O-1:	C-3:	C-3:H-1:	C(C[4]C[4]2Co)(OH)(O)	O(CC[4]O)	O(CC[4]O)(H)	C(C[4]C[4]2Co)(OH)(O)	O(CC[4]O)	O(CC[4]O)(H)	122.6540	0.729	3	122.6540	0.531	3	123.6903	1.011	96	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C[4]-4:O-2:O-1:	C-3:	C-3:H-1:	C(C[4]C[4]2H)(OH)(O)	O(CC[4]O)	O(CC[4]O)(H)	C(C[4]C[4]2H)(OH)(O)	O(CC[4]O)	O(CC[4]O)(H)	123.5800	0.857	68	123.5800	0.735	68	123.6903	1.011	96	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C[4]-4:O-2:O-1:	C-3:	C-3:H-1:	C(C[4]C[4]2N)(OH)(O)	O(CC[4]O)	O(CC[4]O)(H)	C(C[4]C[4]2N)(OH)(O)	O(CC[4]O)	O(CC[4]O)(H)	125.0265	0.575	2	125.0265	0.330	2	123.6903	1.011	96	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C[4]-4:O-2:O-1:	C-3:	C-3:H-1:	C(C[4]C[4]2O)(OH)(O)	O(CC[4]O)	O(CC[4]O)(H)	C(C[4]C[4]2O)(OH)(O)	O(CC[4]O)	O(CC[4]O)(H)	124.2610	0.000	1	124.2610	0.000	1	123.6903	1.011	96	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C[4]-4:O-2:O-1:	C-3:	C-3:H-1:	C(C[4]C[4]N[4]H)(OH)(O)	O(CC[4]O)	O(CC[4]O)(H)	C(C[4]C[4]N[4]H)(OH)(O)	O(CC[4]O)	O(CC[4]O)(H)	124.6847	0.394	3	124.6847	0.155	3	123.6903	1.011	96	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C[4]-4:O-2:O-1:	C-3:	C-3:H-1:	C(C[4]C[4]O[4]C)(OH)(O)	O(CC[4]O)	O(CC[4]O)(H)	C(C[4]C[4]O[4]C)(OH)(O)	O(CC[4]O)	O(CC[4]O)(H)	125.7260	0.426	2	125.7260	0.181	2	123.6903	1.011	96	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C[4]-4:O-2:O-1:	C-3:	C-3:H-1:	C(C[4]N[4,6a]S[4]H)(OH)(O)	O(CC[4]O)	O(CC[4]O)(H)	C(C[4]N[4,6a]S[4]H)(OH)(O)	O(CC[4]O)	O(CC[4]O)(H)	127.1320	0.000	1	127.1320	0.000	1	123.6903	1.011	96	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C[5,5,6]-4:O-2:O-1:	C-3:	C-3:H-1:	C(C[5,5,6]C[5,5,6,6]C[5,6]2)(OH)(O)	O(CC[5,5,6]O)	O(CC[5,5,6]O)(H)	C(C[5,5,6]C[5,5,6,6]C[5,6]2)(OH)(O)	O(CC[5,5,6]O)	O(CC[5,5,6]O)(H)	123.0120	0.000	1	123.0120	0.000	1	123.0120	0.000	1	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C[5,5]-4:O-2:O-1:	C-3:	C-3:H-1:	C(C[5,5]C[3,5,5]C[3x5]H)(OH)(O)	O(CC[5,5]O)	O(CC[5,5]O)(H)	C(C[5,5]C[3,5,5]C[3x5]H)(OH)(O)	O(CC[5,5]O)	O(CC[5,5]O)(H)	118.7900	0.000	1	118.7900	0.000	1	118.7900	0.000	1	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C[5,6]-4:O-2:O-1:	C-3:	C-3:H-1:	C(C[5,6]C[5,5,6]2H)(OH)(O)	O(CC[5,6]O)	O(CC[5,6]O)(H)	C(C[5,6]C[5,5,6]2H)(OH)(O)	O(CC[5,6]O)	O(CC[5,6]O)(H)	123.6532	0.504	5	123.6532	0.254	5	123.0411	1.598	98	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C[5,6]-4:O-2:O-1:	C-3:	C-3:H-1:	C(C[5,6]C[5,5,6]C[5,6]H)(OH)(O)	O(CC[5,6]O)	O(CC[5,6]O)(H)	C(C[5,6]C[5,5,6]C[5,6]H)(OH)(O)	O(CC[5,6]O)	O(CC[5,6]O)(H)	123.2466	1.357	56	123.2466	1.840	56	123.0411	1.598	98	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C[5,6]-4:O-2:O-1:	C-3:	C-3:H-1:	C(C[5,6]C[5,5,6]C[5,6]O)(OH)(O)	O(CC[5,6]O)	O(CC[5,6]O)(H)	C(C[5,6]C[5,5,6]C[5,6]O)(OH)(O)	O(CC[5,6]O)	O(CC[5,6]O)(H)	122.1750	0.000	1	122.1750	0.000	1	123.0411	1.598	98	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C[5,6]-4:O-2:O-1:	C-3:	C-3:H-1:	C(C[5,6]C[5,5,6]C[5]C[6])(OH)(O)	O(CC[5,6]O)	O(CC[5,6]O)(H)	C(C[5,6]C[5,5,6]C[5]C[6])(OH)(O)	O(CC[5,6]O)	O(CC[5,6]O)(H)	122.0350	0.000	1	122.0350	0.000	1	123.0411	1.598	98	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C[5,6]-4:O-2:O-1:	C-3:	C-3:H-1:	C(C[5,6]C[5,6,6a]C[5]C[6])(OH)(O)	O(CC[5,6]O)	O(CC[5,6]O)(H)	C(C[5,6]C[5,6,6a]C[5]C[6])(OH)(O)	O(CC[5,6]O)	O(CC[5,6]O)(H)	122.3110	0.000	1	122.3110	0.000	1	123.0411	1.598	98	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C[5,6]-4:O-2:O-1:	C-3:	C-3:H-1:	C(C[5,6]C[5,6]2C[6])(OH)(O)	O(CC[5,6]O)	O(CC[5,6]O)(H)	C(C[5,6]C[5,6]2C[6])(OH)(O)	O(CC[5,6]O)	O(CC[5,6]O)(H)	123.1946	1.113	5	123.1946	1.238	5	123.0411	1.598	98	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C[5,6]-4:O-2:O-1:	C-3:	C-3:H-1:	C(C[5,6]C[5,6]C[5]C[6])(OH)(O)	O(CC[5,6]O)	O(CC[5,6]O)(H)	C(C[5,6]C[5,6]C[5]C[6])(OH)(O)	O(CC[5,6]O)	O(CC[5,6]O)(H)	122.3752	1.037	25	122.3752	1.075	25	123.0411	1.598	98	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C[5,6]-4:O-2:O-1:	C-3:	C-3:H-1:	C(C[5,6]C[5,6]C[6]O[5])(OH)(O)	O(CC[5,6]O)	O(CC[5,6]O)(H)	C(C[5,6]C[5,6]C[6]O[5])(OH)(O)	O(CC[5,6]O)	O(CC[5,6]O)(H)	124.0185	0.406	4	124.0185	0.165	4	123.0411	1.598	98	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C[5]-4:O-2:O-1:	C-3:	C-3:H-1:	C(C[5]C[4,5]C[5]H)(OH)(O)	O(CC[5]O)	O(CC[5]O)(H)	C(C[5]C[4,5]C[5]H)(OH)(O)	O(CC[5]O)	O(CC[5]O)(H)	123.7772	0.485	5	123.7772	0.235	5	123.8805	1.761	317	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C[5]-4:O-2:O-1:	C-3:	C-3:H-1:	C(C[5]C[5,5,6]2H)(OH)(O)	O(CC[5]O)	O(CC[5]O)(H)	C(C[5]C[5,5,6]2H)(OH)(O)	O(CC[5]O)	O(CC[5]O)(H)	123.5850	0.234	3	123.5850	0.055	3	123.8805	1.761	317	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C[5]-4:O-2:O-1:	C-3:	C-3:H-1:	C(C[5]C[5,5,6]C[5,6a]H)(OH)(O)	O(CC[5]O)	O(CC[5]O)(H)	C(C[5]C[5,5,6]C[5,6a]H)(OH)(O)	O(CC[5]O)	O(CC[5]O)(H)	124.0650	0.000	1	124.0650	0.000	1	123.8805	1.761	317	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C[5]-4:O-2:O-1:	C-3:	C-3:H-1:	C(C[5]C[5,5,6]C[5]H)(OH)(O)	O(CC[5]O)	O(CC[5]O)(H)	C(C[5]C[5,5,6]C[5]H)(OH)(O)	O(CC[5]O)	O(CC[5]O)(H)	122.8680	0.000	1	122.8680	0.000	1	123.8805	1.761	317	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C[5]-4:O-2:O-1:	C-3:	C-3:H-1:	C(C[5]C[5,5]C[5]C)(OH)(O)	O(CC[5]O)	O(CC[5]O)(H)	C(C[5]C[5,5]C[5]C)(OH)(O)	O(CC[5]O)	O(CC[5]O)(H)	122.7138	0.197	5	122.7138	0.039	5	123.8805	1.761	317	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C[5]-4:O-2:O-1:	C-3:	C-3:H-1:	C(C[5]C[5,5]C[5]H)(OH)(O)	O(CC[5]O)	O(CC[5]O)(H)	C(C[5]C[5,5]C[5]H)(OH)(O)	O(CC[5]O)	O(CC[5]O)(H)	123.4875	0.409	4	123.4875	0.167	4	123.8805	1.761	317	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C[5]-4:O-2:O-1:	C-3:	C-3:H-1:	C(C[5]C[5,6]C[5]H)(OH)(O)	O(CC[5]O)	O(CC[5]O)(H)	C(C[5]C[5,6]C[5]H)(OH)(O)	O(CC[5]O)	O(CC[5]O)(H)	122.7117	0.592	8	122.7117	0.350	8	123.8805	1.761	317	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C[5]-4:O-2:O-1:	C-3:	C-3:H-1:	C(C[5]C[5,6a]2C)(OH)(O)	O(CC[5]O)	O(CC[5]O)(H)	C(C[5]C[5,6a]2C)(OH)(O)	O(CC[5]O)	O(CC[5]O)(H)	123.6085	0.165	2	123.6085	0.027	2	123.8805	1.761	317	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C[5]-4:O-2:O-1:	C-3:	C-3:H-1:	C(C[5]C[5,6a]C[5,6]C)(OH)(O)	O(CC[5]O)	O(CC[5]O)(H)	C(C[5]C[5,6a]C[5,6]C)(OH)(O)	O(CC[5]O)	O(CC[5]O)(H)	122.5080	0.000	1	122.5080	0.000	1	123.8805	1.761	317	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C[5]-4:O-2:O-1:	C-3:	C-3:H-1:	C(C[5]C[5,6a]C[5]H)(OH)(O)	O(CC[5]O)	O(CC[5]O)(H)	C(C[5]C[5,6a]C[5]H)(OH)(O)	O(CC[5]O)	O(CC[5]O)(H)	123.6033	0.764	6	123.6033	0.584	6	123.8805	1.761	317	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C[5]-4:O-2:O-1:	C-3:	C-3:H-1:	C(C[5]C[5,6a]C[5]O)(OH)(O)	O(CC[5]O)	O(CC[5]O)(H)	C(C[5]C[5,6a]C[5]O)(OH)(O)	O(CC[5]O)	O(CC[5]O)(H)	124.4680	0.000	1	124.4680	0.000	1	123.8805	1.761	317	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C[5]-4:O-2:O-1:	C-3:	C-3:H-1:	C(C[5]C[5,6a]C[6a]C[5])(OH)(O)	O(CC[5]O)	O(CC[5]O)(H)	C(C[5]C[5,6a]C[6a]C[5])(OH)(O)	O(CC[5]O)	O(CC[5]O)(H)	123.3555	0.071	2	123.3555	0.005	2	123.8805	1.761	317	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C[5]-4:O-2:O-1:	C-3:	C-3:H-1:	C(C[5]C[5,6a]O[5]C)(OH)(O)	O(CC[5]O)	O(CC[5]O)(H)	C(C[5]C[5,6a]O[5]C)(OH)(O)	O(CC[5]O)	O(CC[5]O)(H)	126.3080	0.000	1	126.3080	0.000	1	123.8805	1.761	317	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C[5]-4:O-2:O-1:	C-3:	C-3:H-1:	C(C[5]C[5,6a]S[5]H)(OH)(O)	O(CC[5]O)	O(CC[5]O)(H)	C(C[5]C[5,6a]S[5]H)(OH)(O)	O(CC[5]O)	O(CC[5]O)(H)	123.8180	0.000	1	123.8180	0.000	1	123.8805	1.761	317	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C[5]-4:O-2:O-1:	C-3:	C-3:H-1:	C(C[5]C[5]2C)(OH)(O)	O(CC[5]O)	O(CC[5]O)(H)	C(C[5]C[5]2C)(OH)(O)	O(CC[5]O)	O(CC[5]O)(H)	122.8285	0.846	22	122.8285	0.715	22	123.8805	1.761	317	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C[5]-4:O-2:O-1:	C-3:	C-3:H-1:	C(C[5]C[5]2Co)(OH)(O)	O(CC[5]O)	O(CC[5]O)(H)	C(C[5]C[5]2Co)(OH)(O)	O(CC[5]O)	O(CC[5]O)(H)	124.4515	2.729	8	124.4515	7.446	8	123.8805	1.761	317	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C[5]-4:O-2:O-1:	C-3:	C-3:H-1:	C(C[5]C[5]2Cr)(OH)(O)	O(CC[5]O)	O(CC[5]O)(H)	C(C[5]C[5]2Cr)(OH)(O)	O(CC[5]O)	O(CC[5]O)(H)	124.2870	0.000	1	124.2870	0.000	1	123.8805	1.761	317	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C[5]-4:O-2:O-1:	C-3:	C-3:H-1:	C(C[5]C[5]2Fe)(OH)(O)	O(CC[5]O)	O(CC[5]O)(H)	C(C[5]C[5]2Fe)(OH)(O)	O(CC[5]O)	O(CC[5]O)(H)	123.8163	1.034	27	123.8163	1.069	27	123.8805	1.761	317	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C[5]-4:O-2:O-1:	C-3:	C-3:H-1:	C(C[5]C[5]2H)(OH)(O)	O(CC[5]O)	O(CC[5]O)(H)	C(C[5]C[5]2H)(OH)(O)	O(CC[5]O)	O(CC[5]O)(H)	123.3223	1.185	51	123.3223	1.404	51	123.8805	1.761	317	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C[5]-4:O-2:O-1:	C-3:	C-3:H-1:	C(C[5]C[5]2N)(OH)(O)	O(CC[5]O)	O(CC[5]O)(H)	C(C[5]C[5]2N)(OH)(O)	O(CC[5]O)	O(CC[5]O)(H)	120.8480	0.000	1	120.8480	0.000	1	123.8805	1.761	317	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C[5]-4:O-2:O-1:	C-3:	C-3:H-1:	C(C[5]C[5]2O)(OH)(O)	O(CC[5]O)	O(CC[5]O)(H)	C(C[5]C[5]2O)(OH)(O)	O(CC[5]O)	O(CC[5]O)(H)	124.3462	1.138	5	124.3462	1.295	5	123.8805	1.761	317	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C[5]-4:O-2:O-1:	C-3:	C-3:H-1:	C(C[5]C[5]2Re)(OH)(O)	O(CC[5]O)	O(CC[5]O)(H)	C(C[5]C[5]2Re)(OH)(O)	O(CC[5]O)	O(CC[5]O)(H)	122.0474	2.470	5	122.0474	6.101	5	123.8805	1.761	317	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C[5]-4:O-2:O-1:	C-3:	C-3:H-1:	C(C[5]C[5]2Ru)(OH)(O)	O(CC[5]O)	O(CC[5]O)(H)	C(C[5]C[5]2Ru)(OH)(O)	O(CC[5]O)	O(CC[5]O)(H)	123.6257	2.110	6	123.6257	4.452	6	123.8805	1.761	317	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C[5]-4:O-2:O-1:	C-3:	C-3:H-1:	C(C[5]C[5]2W)(OH)(O)	O(CC[5]O)	O(CC[5]O)(H)	C(C[5]C[5]2W)(OH)(O)	O(CC[5]O)	O(CC[5]O)(H)	122.9715	1.025	2	122.9715	1.050	2	123.8805	1.761	317	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C[5]-4:O-2:O-1:	C-3:	C-3:H-1:	C(C[5]C[5]N[5]C)(OH)(O)	O(CC[5]O)	O(CC[5]O)(H)	C(C[5]C[5]N[5]C)(OH)(O)	O(CC[5]O)	O(CC[5]O)(H)	125.1230	0.960	6	125.1230	0.922	6	123.8805	1.761	317	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C[5]-4:O-2:O-1:	C-3:	C-3:H-1:	C(C[5]C[5]N[5]H)(OH)(O)	O(CC[5]O)	O(CC[5]O)(H)	C(C[5]C[5]N[5]H)(OH)(O)	O(CC[5]O)	O(CC[5]O)(H)	124.2798	1.120	113	124.2798	1.254	113	123.8805	1.761	317	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C[5]-4:O-2:O-1:	C-3:	C-3:H-1:	C(C[5]C[5]O[5]C)(OH)(O)	O(CC[5]O)	O(CC[5]O)(H)	C(C[5]C[5]O[5]C)(OH)(O)	O(CC[5]O)	O(CC[5]O)(H)	122.9290	0.000	1	122.9290	0.000	1	123.8805	1.761	317	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C[5]-4:O-2:O-1:	C-3:	C-3:H-1:	C(C[5]C[5]O[5]H)(OH)(O)	O(CC[5]O)	O(CC[5]O)(H)	C(C[5]C[5]O[5]H)(OH)(O)	O(CC[5]O)	O(CC[5]O)(H)	124.9242	1.129	11	124.9242	1.275	11	123.8805	1.761	317	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C[5]-4:O-2:O-1:	C-3:	C-3:H-1:	C(C[5]C[5]O[5]N)(OH)(O)	O(CC[5]O)	O(CC[5]O)(H)	C(C[5]C[5]O[5]N)(OH)(O)	O(CC[5]O)	O(CC[5]O)(H)	125.1930	0.000	1	125.1930	0.000	1	123.8805	1.761	317	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C[5]-4:O-2:O-1:	C-3:	C-3:H-1:	C(C[5]C[5]S[5]H)(OH)(O)	O(CC[5]O)	O(CC[5]O)(H)	C(C[5]C[5]S[5]H)(OH)(O)	O(CC[5]O)	O(CC[5]O)(H)	124.8260	0.000	1	124.8260	0.000	1	123.8805	1.761	317	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C[5]-4:O-2:O-1:	C-3:	C-3:H-1:	C(C[5]C[6a]C[5]2)(OH)(O)	O(CC[5]O)	O(CC[5]O)(H)	C(C[5]C[6a]C[5]2)(OH)(O)	O(CC[5]O)	O(CC[5]O)(H)	123.1330	0.000	1	123.1330	0.000	1	123.8805	1.761	317	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C[5]-4:O-2:O-1:	C-3:	C-3:H-1:	C(C[5]C[6a]C[5]N[5])(OH)(O)	O(CC[5]O)	O(CC[5]O)(H)	C(C[5]C[6a]C[5]N[5])(OH)(O)	O(CC[5]O)	O(CC[5]O)(H)	126.3265	0.414	2	126.3265	0.171	2	123.8805	1.761	317	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C[5]-4:O-2:O-1:	C-3:	C-3:H-1:	C(C[5]C[6a]C[5]O[5])(OH)(O)	O(CC[5]O)	O(CC[5]O)(H)	C(C[5]C[6a]C[5]O[5])(OH)(O)	O(CC[5]O)	O(CC[5]O)(H)	124.6420	0.421	2	124.6420	0.178	2	123.8805	1.761	317	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C[5]-4:O-2:O-1:	C-3:	C-3:H-1:	C(C[5]N[4,5]C[5]H)(OH)(O)	O(CC[5]O)	O(CC[5]O)(H)	C(C[5]N[4,5]C[5]H)(OH)(O)	O(CC[5]O)	O(CC[5]O)(H)	124.9095	0.019	2	124.9095	0.000	2	123.8805	1.761	317	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C[5]-4:O-2:O-1:	C-3:	C-3:H-1:	C(C[5]N[5,5]C[5]H)(OH)(O)	O(CC[5]O)	O(CC[5]O)(H)	C(C[5]N[5,5]C[5]H)(OH)(O)	O(CC[5]O)	O(CC[5]O)(H)	125.0600	1.039	2	125.0600	1.080	2	123.8805	1.761	317	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C[5]-4:O-2:O-1:	C-3:	C-3:H-1:	C(C[5]N[5,6a]C[5]H)(OH)(O)	O(CC[5]O)	O(CC[5]O)(H)	C(C[5]N[5,6a]C[5]H)(OH)(O)	O(CC[5]O)	O(CC[5]O)(H)	124.8667	0.566	3	124.8667	0.320	3	123.8805	1.761	317	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C[5]-4:O-2:O-1:	C-3:	C-3:H-1:	C(C[5]N[5]2C)(OH)(O)	O(CC[5]O)	O(CC[5]O)(H)	C(C[5]N[5]2C)(OH)(O)	O(CC[5]O)	O(CC[5]O)(H)	125.0490	0.000	1	125.0490	0.000	1	123.8805	1.761	317	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C[5]-4:O-2:O-1:	C-3:	C-3:H-1:	C(C[5]O[5]2C)(OH)(O)	O(CC[5]O)	O(CC[5]O)(H)	C(C[5]O[5]2C)(OH)(O)	O(CC[5]O)	O(CC[5]O)(H)	125.9310	0.000	1	125.9310	0.000	1	123.8805	1.761	317	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C[5]-4:O-2:O-1:	C-3:	C-3:H-1:	C(C[5]O[5]P[5]C)(OH)(O)	O(CC[5]O)	O(CC[5]O)(H)	C(C[5]O[5]P[5]C)(OH)(O)	O(CC[5]O)	O(CC[5]O)(H)	124.5190	0.000	1	124.5190	0.000	1	123.8805	1.761	317	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C[6,6]-4:O-2:O-1:	C-3:	C-3:H-1:	C(C[6,6]C[3x6]C[6,6]H)(OH)(O)	O(CC[6,6]O)	O(CC[6,6]O)(H)	C(C[6,6]C[3x6]C[6,6]H)(OH)(O)	O(CC[6,6]O)	O(CC[6,6]O)(H)	123.1952	1.351	19	123.1952	1.824	19	122.7245	1.222	42	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C[6,6]-4:O-2:O-1:	C-3:	C-3:H-1:	C(C[6,6]C[4,6,6]C[6,6]O)(OH)(O)	O(CC[6,6]O)	O(CC[6,6]O)(H)	C(C[6,6]C[4,6,6]C[6,6]O)(OH)(O)	O(CC[6,6]O)	O(CC[6,6]O)(H)	122.9770	0.839	3	122.9770	0.704	3	122.7245	1.222	42	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C[6,6]-4:O-2:O-1:	C-3:	C-3:H-1:	C(C[6,6]C[4x6]C[6,6]H)(OH)(O)	O(CC[6,6]O)	O(CC[6,6]O)(H)	C(C[6,6]C[4x6]C[6,6]H)(OH)(O)	O(CC[6,6]O)	O(CC[6,6]O)(H)	122.2918	0.908	4	122.2918	0.825	4	122.7245	1.222	42	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C[6,6]-4:O-2:O-1:	C-3:	C-3:H-1:	C(C[6,6]C[5,6]C[6,6]C[6])(OH)(O)	O(CC[6,6]O)	O(CC[6,6]O)(H)	C(C[6,6]C[5,6]C[6,6]C[6])(OH)(O)	O(CC[6,6]O)	O(CC[6,6]O)(H)	121.0700	0.000	1	121.0700	0.000	1	122.7245	1.222	42	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C[6,6]-4:O-2:O-1:	C-3:	C-3:H-1:	C(C[6,6]C[6,6]2C[6])(OH)(O)	O(CC[6,6]O)	O(CC[6,6]O)(H)	C(C[6,6]C[6,6]2C[6])(OH)(O)	O(CC[6,6]O)	O(CC[6,6]O)(H)	122.1345	0.658	4	122.1345	0.433	4	122.7245	1.222	42	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C[6,6]-4:O-2:O-1:	C-3:	C-3:H-1:	C(C[6,6]C[6,6]C[6]2)(OH)(O)	O(CC[6,6]O)	O(CC[6,6]O)(H)	C(C[6,6]C[6,6]C[6]2)(OH)(O)	O(CC[6,6]O)	O(CC[6,6]O)(H)	122.3651	0.375	11	122.3651	0.140	11	122.7245	1.222	42	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C[6]-4:O-2:O-1:	C-3:	C-3:H-1:	C(C[6]C[5,6]2C[6a])(OH)(O)	O(CC[6]O)	O(CC[6]O)(H)	C(C[6]C[5,6]2C[6a])(OH)(O)	O(CC[6]O)	O(CC[6]O)(H)	123.4400	0.000	1	123.4400	0.000	1	122.9681	1.502	388	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C[6]-4:O-2:O-1:	C-3:	C-3:H-1:	C(C[6]C[5,6]C[6,6]H)(OH)(O)	O(CC[6]O)	O(CC[6]O)(H)	C(C[6]C[5,6]C[6,6]H)(OH)(O)	O(CC[6]O)	O(CC[6]O)(H)	123.9180	0.000	1	123.9180	0.000	1	122.9681	1.502	388	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C[6]-4:O-2:O-1:	C-3:	C-3:H-1:	C(C[6]C[5,6]C[6]H)(OH)(O)	O(CC[6]O)	O(CC[6]O)(H)	C(C[6]C[5,6]C[6]H)(OH)(O)	O(CC[6]O)	O(CC[6]O)(H)	123.6499	0.453	8	123.6499	0.205	8	122.9681	1.502	388	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C[6]-4:O-2:O-1:	C-3:	C-3:H-1:	C(C[6]C[5a,6]C[5,6]H)(OH)(O)	O(CC[6]O)	O(CC[6]O)(H)	C(C[6]C[5a,6]C[5,6]H)(OH)(O)	O(CC[6]O)	O(CC[6]O)(H)	123.6873	0.470	3	123.6873	0.221	3	122.9681	1.502	388	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C[6]-4:O-2:O-1:	C-3:	C-3:H-1:	C(C[6]C[5a,6]C[6,6]H)(OH)(O)	O(CC[6]O)	O(CC[6]O)(H)	C(C[6]C[5a,6]C[6,6]H)(OH)(O)	O(CC[6]O)	O(CC[6]O)(H)	124.0520	0.000	1	124.0520	0.000	1	122.9681	1.502	388	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C[6]-4:O-2:O-1:	C-3:	C-3:H-1:	C(C[6]C[6,6]C[6]C)(OH)(O)	O(CC[6]O)	O(CC[6]O)(H)	C(C[6]C[6,6]C[6]C)(OH)(O)	O(CC[6]O)	O(CC[6]O)(H)	121.7200	1.023	52	121.7200	1.046	52	122.9681	1.502	388	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C[6]-4:O-2:O-1:	C-3:	C-3:H-1:	C(C[6]C[6,6]C[6]H)(OH)(O)	O(CC[6]O)	O(CC[6]O)(H)	C(C[6]C[6,6]C[6]H)(OH)(O)	O(CC[6]O)	O(CC[6]O)(H)	122.9927	1.109	10	122.9927	1.230	10	122.9681	1.502	388	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C[6]-4:O-2:O-1:	C-3:	C-3:H-1:	C(C[6]C[6,6a]2C[6])(OH)(O)	O(CC[6]O)	O(CC[6]O)(H)	C(C[6]C[6,6a]2C[6])(OH)(O)	O(CC[6]O)	O(CC[6]O)(H)	123.2173	0.154	4	123.2173	0.024	4	122.9681	1.502	388	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C[6]-4:O-2:O-1:	C-3:	C-3:H-1:	C(C[6]C[6,6a]2H)(OH)(O)	O(CC[6]O)	O(CC[6]O)(H)	C(C[6]C[6,6a]2H)(OH)(O)	O(CC[6]O)	O(CC[6]O)(H)	123.3940	0.709	2	123.3940	0.502	2	122.9681	1.502	388	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C[6]-4:O-2:O-1:	C-3:	C-3:H-1:	C(C[6]C[6,6a]C[6]F)(OH)(O)	O(CC[6]O)	O(CC[6]O)(H)	C(C[6]C[6,6a]C[6]F)(OH)(O)	O(CC[6]O)	O(CC[6]O)(H)	125.9200	0.000	1	125.9200	0.000	1	122.9681	1.502	388	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C[6]-4:O-2:O-1:	C-3:	C-3:H-1:	C(C[6]C[6,6a]C[6]H)(OH)(O)	O(CC[6]O)	O(CC[6]O)(H)	C(C[6]C[6,6a]C[6]H)(OH)(O)	O(CC[6]O)	O(CC[6]O)(H)	123.6119	0.845	12	123.6119	0.715	12	122.9681	1.502	388	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C[6]-4:O-2:O-1:	C-3:	C-3:H-1:	C(C[6]C[6]2Br)(OH)(O)	O(CC[6]O)	O(CC[6]O)(H)	C(C[6]C[6]2Br)(OH)(O)	O(CC[6]O)	O(CC[6]O)(H)	124.9950	0.000	1	124.9950	0.000	1	122.9681	1.502	388	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C[6]-4:O-2:O-1:	C-3:	C-3:H-1:	C(C[6]C[6]2C)(OH)(O)	O(CC[6]O)	O(CC[6]O)(H)	C(C[6]C[6]2C)(OH)(O)	O(CC[6]O)	O(CC[6]O)(H)	122.7232	1.183	39	122.7232	1.399	39	122.9681	1.502	388	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C[6]-4:O-2:O-1:	C-3:	C-3:H-1:	C(C[6]C[6]2Cr)(OH)(O)	O(CC[6]O)	O(CC[6]O)(H)	C(C[6]C[6]2Cr)(OH)(O)	O(CC[6]O)	O(CC[6]O)(H)	123.6585	0.566	2	123.6585	0.321	2	122.9681	1.502	388	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C[6]-4:O-2:O-1:	C-3:	C-3:H-1:	C(C[6]C[6]2H)(OH)(O)	O(CC[6]O)	O(CC[6]O)(H)	C(C[6]C[6]2H)(OH)(O)	O(CC[6]O)	O(CC[6]O)(H)	122.9169	0.937	215	122.9169	0.879	215	122.9681	1.502	388	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C[6]-4:O-2:O-1:	C-3:	C-3:H-1:	C(C[6]C[6]2N)(OH)(O)	O(CC[6]O)	O(CC[6]O)(H)	C(C[6]C[6]2N)(OH)(O)	O(CC[6]O)	O(CC[6]O)(H)	123.7920	0.842	5	123.7920	0.709	5	122.9681	1.502	388	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C[6]-4:O-2:O-1:	C-3:	C-3:H-1:	C(C[6]C[6]2O)(OH)(O)	O(CC[6]O)	O(CC[6]O)(H)	C(C[6]C[6]2O)(OH)(O)	O(CC[6]O)	O(CC[6]O)(H)	124.2070	0.000	1	124.2070	0.000	1	122.9681	1.502	388	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C[6]-4:O-2:O-1:	C-3:	C-3:H-1:	C(C[6]C[6]3)(OH)(O)	O(CC[6]O)	O(CC[6]O)(H)	C(C[6]C[6]3)(OH)(O)	O(CC[6]O)	O(CC[6]O)(H)	122.3060	0.000	1	122.3060	0.000	1	122.9681	1.502	388	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C[6]-4:O-2:O-1:	C-3:	C-3:H-1:	C(C[6]C[6]N[6]H)(OH)(O)	O(CC[6]O)	O(CC[6]O)(H)	C(C[6]C[6]N[6]H)(OH)(O)	O(CC[6]O)	O(CC[6]O)(H)	125.0821	0.762	14	125.0821	0.580	14	122.9681	1.502	388	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C[6]-4:O-2:O-1:	C-3:	C-3:H-1:	C(C[6]C[6]O[6]C)(OH)(O)	O(CC[6]O)	O(CC[6]O)(H)	C(C[6]C[6]O[6]C)(OH)(O)	O(CC[6]O)	O(CC[6]O)(H)	123.4660	0.000	1	123.4660	0.000	1	122.9681	1.502	388	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C[6]-4:O-2:O-1:	C-3:	C-3:H-1:	C(C[6]C[6]O[6]H)(OH)(O)	O(CC[6]O)	O(CC[6]O)(H)	C(C[6]C[6]O[6]H)(OH)(O)	O(CC[6]O)	O(CC[6]O)(H)	125.3550	1.067	4	125.3550	1.139	4	122.9681	1.502	388	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C[6]-4:O-2:O-1:	C-3:	C-3:H-1:	C(C[6]C[6a]C[6]2)(OH)(O)	O(CC[6]O)	O(CC[6]O)(H)	C(C[6]C[6a]C[6]2)(OH)(O)	O(CC[6]O)	O(CC[6]O)(H)	122.6105	0.824	2	122.6105	0.679	2	122.9681	1.502	388	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C[6]-4:O-2:O-1:	C-3:	C-3:H-1:	C(C[6]N[5a,6]C[6]H)(OH)(O)	O(CC[6]O)	O(CC[6]O)(H)	C(C[6]N[5a,6]C[6]H)(OH)(O)	O(CC[6]O)	O(CC[6]O)(H)	125.7447	0.581	6	125.7447	0.337	6	122.9681	1.502	388	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	C[6]-4:O-2:O-1:	C-3:	C-3:H-1:	C(C[6]S[6]2C)(OH)(O)	O(CC[6]O)	O(CC[6]O)(H)	C(C[6]S[6]2C)(OH)(O)	O(CC[6]O)	O(CC[6]O)(H)	122.4000	0.051	2	122.4000	0.003	2	122.9681	1.502	388	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:1:	Si[3x6]-4:O-2:O-1:	C-3:	C-3:H-1:	C(Si[3x6]Si[6,6]3)(OH)(O)	O(CSi[3x6]O)	O(CSi[3x6]O)(H)	C(Si[3x6]Si[6,6]3)(OH)(O)	O(CSi[3x6]O)	O(CSi[3x6]O)(H)	122.1170	0.000	1	122.1170	0.000	1	122.1170	0.000	1	123.7171	2.480	4787	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:2:	C-4:O-2:O-1:	C-3:	C-3:N-2:	C(CC3)(ON)(O)	O(CCO)	O(CCO)(NC)	C(CC3)(ON)(O)	O(CCO)	O(CCO)(NC)	124.0315	0.173	2	124.0315	0.030	2	123.3913	9.118	10	122.7803	11.204	15	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:2:	C-4:O-2:O-1:	C-3:	C-3:N-2:	C(CCHH)(ON)(O)	O(CCO)	O(CCO)(NC)	C(CCHH)(ON)(O)	O(CCO)	O(CCO)(NC)	123.7990	0.082	2	123.7990	0.007	2	123.3913	9.118	10	122.7803	11.204	15	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:2:	C-4:O-2:O-1:	C-3:	C-3:N-2:	C(CC[6a]HH)(ON)(O)	O(CCO)	O(CCO)(NC)	C(CC[6a]HH)(ON)(O)	O(CCO)	O(CCO)(NC)	123.8200	0.000	1	123.8200	0.000	1	123.3913	9.118	10	122.7803	11.204	15	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:2:	C-4:O-2:O-1:	C-3:	C-3:N-2:	C(CH3)(ON)(O)	O(CCO)	O(CCO)(NC)	C(CH3)(ON)(O)	O(CCO)	O(CCO)(NC)	121.9845	4.588	4	121.9845	21.049	4	123.3913	9.118	10	122.7803	11.204	15	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:2:	C-4:O-2:O-1:	C-3:	C-3:N-2:	C(CHOO)(ON)(O)	O(CCO)	O(CCO)(NC)	C(CHOO)(ON)(O)	O(CCO)	O(CCO)(NC)	126.4940	0.000	1	126.4940	0.000	1	123.3913	9.118	10	122.7803	11.204	15	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:2:	C-4:O-2:O-1:	C-3:	C-3:O-2:	C(CCHH)(OO)(O)	O(CCO)	O(CCO)(OC)	C(CCHH)(OO)(O)	O(CCO)	O(CCO)(OC)	114.5660	0.000	1	114.5660	0.000	1	118.7100	34.345	2	122.7803	11.204	15	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:2:	C-4:O-2:O-1:	C-3:	C-3:O-2:	C(CH3)(OO)(O)	O(CCO)	O(CCO)(OC)	C(CH3)(OO)(O)	O(CCO)	O(CCO)(OC)	122.8540	0.000	1	122.8540	0.000	1	118.7100	34.345	2	122.7803	11.204	15	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:2:	C[3]-4:O-2:O-1:	C-3:	C-3:N-2:	C(C[3]C[3]2H)(ON)(O)	O(CC[3]O)	O(CC[3]O)(NC)	C(C[3]C[3]2H)(ON)(O)	O(CC[3]O)	O(CC[3]O)(NC)	124.0600	0.140	2	124.0600	0.020	2	124.0600	0.020	2	122.7803	11.204	15	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:2:	C[6]-4:O-2:O-1:	C-3:	C-3:N-2:	C(C[6]C[6,6]C[6]C)(ON)(O)	O(CC[6]O)	O(CC[6]O)(NC)	C(C[6]C[6,6]C[6]C)(ON)(O)	O(CC[6]O)	O(CC[6]O)(NC)	122.2510	0.000	1	122.2510	0.000	1	122.2510	0.000	1	122.7803	11.204	15	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:3:	B-4:O-2:O-1:	C-3:	C[6a]-3:C-3:	C(BN[3x6]HH)(OC[6a])(O)	O(CBO)	O(C[6a]C[6a]2)(CBO)	C(BN[3x6]HH)(OC[6a])(O)	O(CBO)	O(C[6a]C[6a]2)(CBO)	118.6480	0.000	1	118.6480	0.000	1	118.6480	0.000	1	123.1323	3.951	219	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:3:	C-4:O-2:O-1:	C-3:	B[6a]-3:C-3:	C(CC[6a]HH)(OB[6a])(O)	O(CCO)	O(B[6a]C[6a]N[6a])(CCO)	C(CC[6a]HH)(OB[6a])(O)	O(CCO)	O(B[6a]C[6a]N[6a])(CCO)	123.7010	0.000	1	123.7010	0.000	1	123.7010	0.000	1	123.1323	3.951	219	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:3:	C-4:O-2:O-1:	C-3:	Br-3:C-3:	C(CH3)(OBr)(O)	O(CCO)	O(BrC[6a]O)(CCO)	C(CH3)(OBr)(O)	O(CCO)	O(BrC[6a]O)(CCO)	122.7895	0.866	2	122.7895	0.750	2	122.7895	0.750	2	123.1323	3.951	219	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:3:	C-4:O-2:O-1:	C-3:	C-3:C-3:	C(CC3)(OC)(O)	O(CCO)	O(CC[5]C)(CCO)	C(CC3)(OC)(O)	O(CCO)	O(CC[5]C)(CCO)	121.5610	0.000	1	121.5610	0.000	1	122.7546	0.979	60	123.1323	3.951	219	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:3:	C-4:O-2:O-1:	C-3:	C-3:C-3:	C(CC3)(OC)(O)	O(CCO)	O(CC[5a]C)(CCO)	C(CC3)(OC)(O)	O(CCO)	O(CC[5a]C)(CCO)	120.8140	0.199	3	120.8140	0.040	3	122.7546	0.979	60	123.1323	3.951	219	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:3:	C-4:O-2:O-1:	C-3:	C-3:C-3:	C(CCFF)(OC)(O)	O(CCO)	O(CCH)(CCO)	C(CCFF)(OC)(O)	O(CCO)	O(CCH)(CCO)	126.3720	0.000	1	126.3720	0.000	1	122.7546	0.979	60	123.1323	3.951	219	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:3:	C-4:O-2:O-1:	C-3:	C-3:C-3:	C(CCHH)(OC)(O)	O(CCO)	O(CCH)(CCO)	C(CCHH)(OC)(O)	O(CCO)	O(CCH)(CCO)	122.3810	0.000	1	122.3810	0.000	1	122.7546	0.979	60	123.1323	3.951	219	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:3:	C-4:O-2:O-1:	C-3:	C-3:C-3:	C(CCHO)(OC)(O)	O(CCO)	O(CC[6a]C)(CCO)	C(CCHO)(OC)(O)	O(CCO)	O(CC[6a]C)(CCO)	124.8440	0.000	1	124.8440	0.000	1	122.7546	0.979	60	123.1323	3.951	219	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:3:	C-4:O-2:O-1:	C-3:	C-3:C-3:	C(CC[6a]2H)(OC)(O)	O(CCO)	O(CC[5a]C)(CCO)	C(CC[6a]2H)(OC)(O)	O(CCO)	O(CC[5a]C)(CCO)	123.3220	0.000	1	123.3220	0.000	1	122.7546	0.979	60	123.1323	3.951	219	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:3:	C-4:O-2:O-1:	C-3:	C-3:C-3:	C(CC[6a]CH)(OC)(O)	O(CCO)	O(CC[5a]C)(CCO)	C(CC[6a]CH)(OC)(O)	O(CCO)	O(CC[5a]C)(CCO)	123.0300	0.000	1	123.0300	0.000	1	122.7546	0.979	60	123.1323	3.951	219	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:3:	C-4:O-2:O-1:	C-3:	C-3:C-3:	C(CC[6a]HH)(OC)(O)	O(CCO)	O(CCC)(CCO)	C(CC[6a]HH)(OC)(O)	O(CCO)	O(CCC)(CCO)	122.6950	0.000	1	122.6950	0.000	1	122.7546	0.979	60	123.1323	3.951	219	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:3:	C-4:O-2:O-1:	C-3:	C-3:C-3:	C(CC[6a]HH)(OC)(O)	O(CCO)	O(CN[5]C)(CCO)	C(CC[6a]HH)(OC)(O)	O(CCO)	O(CN[5]C)(CCO)	122.5020	0.000	1	122.5020	0.000	1	122.7546	0.979	60	123.1323	3.951	219	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:3:	C-4:O-2:O-1:	C-3:	C-3:C-3:	C(CH3)(OC)(O)	O(CCO)	O(CCC)(CCO)	C(CH3)(OC)(O)	O(CCO)	O(CCC)(CCO)	122.7440	0.451	9	122.7440	0.203	9	122.7546	0.979	60	123.1323	3.951	219	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:3:	C-4:O-2:O-1:	C-3:	C-3:C-3:	C(CH3)(OC)(O)	O(CCO)	O(CCO)2	C(CH3)(OC)(O)	O(CCO)	O(CCO)2	121.5230	0.000	1	121.5230	0.000	1	122.7546	0.979	60	123.1323	3.951	219	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:3:	C-4:O-2:O-1:	C-3:	C-3:C-3:	C(CH3)(OC)(O)	O(CCO)	O(CC[3]C)(CCO)	C(CH3)(OC)(O)	O(CCO)	O(CC[3]C)(CCO)	123.2092	1.322	5	123.2092	1.749	5	122.7546	0.979	60	123.1323	3.951	219	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:3:	C-4:O-2:O-1:	C-3:	C-3:C-3:	C(CH3)(OC)(O)	O(CCO)	O(CC[3]C[6])(CCO)	C(CH3)(OC)(O)	O(CCO)	O(CC[3]C[6])(CCO)	122.2230	0.000	1	122.2230	0.000	1	122.7546	0.979	60	123.1323	3.951	219	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:3:	C-4:O-2:O-1:	C-3:	C-3:C-3:	C(CH3)(OC)(O)	O(CCO)	O(CC[5,6]C[6a])(CCO)	C(CH3)(OC)(O)	O(CCO)	O(CC[5,6]C[6a])(CCO)	122.3045	0.282	2	122.3045	0.080	2	122.7546	0.979	60	123.1323	3.951	219	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:3:	C-4:O-2:O-1:	C-3:	C-3:C-3:	C(CH3)(OC)(O)	O(CCO)	O(CC[5]C)(CCO)	C(CH3)(OC)(O)	O(CCO)	O(CC[5]C)(CCO)	122.2997	0.518	3	122.2997	0.268	3	122.7546	0.979	60	123.1323	3.951	219	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:3:	C-4:O-2:O-1:	C-3:	C-3:C-3:	C(CH3)(OC)(O)	O(CCO)	O(CC[5a]C)(CCO)	C(CH3)(OC)(O)	O(CCO)	O(CC[5a]C)(CCO)	122.1390	0.000	1	122.1390	0.000	1	122.7546	0.979	60	123.1323	3.951	219	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:3:	C-4:O-2:O-1:	C-3:	C-3:C-3:	C(CH3)(OC)(O)	O(CCO)	O(CC[6,6]C)(CCO)	C(CH3)(OC)(O)	O(CCO)	O(CC[6,6]C)(CCO)	123.1530	0.000	1	123.1530	0.000	1	122.7546	0.979	60	123.1323	3.951	219	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:3:	C-4:O-2:O-1:	C-3:	C-3:C-3:	C(CH3)(OC)(O)	O(CCO)	O(CC[6]C)(CCO)	C(CH3)(OC)(O)	O(CCO)	O(CC[6]C)(CCO)	123.5550	0.343	3	123.5550	0.117	3	122.7546	0.979	60	123.1323	3.951	219	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:3:	C-4:O-2:O-1:	C-3:	C-3:C-3:	C(CH3)(OC)(O)	O(CCO)	O(CC[6a]C)(CCO)	C(CH3)(OC)(O)	O(CCO)	O(CC[6a]C)(CCO)	122.7597	0.637	16	122.7597	0.406	16	122.7546	0.979	60	123.1323	3.951	219	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:3:	C-4:O-2:O-1:	C-3:	C-3:C-3:	C(CH3)(OC)(O)	O(CCO)	O(CC[6a]C[4])(CCO)	C(CH3)(OC)(O)	O(CCO)	O(CC[6a]C[4])(CCO)	123.0470	0.000	1	123.0470	0.000	1	122.7546	0.979	60	123.1323	3.951	219	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:3:	C-4:O-2:O-1:	C-3:	C-3:C-3:	C(CH3)(OC)(O)	O(CCO)	O(CC[6a]O)(CCO)	C(CH3)(OC)(O)	O(CCO)	O(CC[6a]O)(CCO)	121.8700	0.000	1	121.8700	0.000	1	122.7546	0.979	60	123.1323	3.951	219	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:3:	C-4:O-2:O-1:	C-3:	C-3:C-3:	C(CH3)(OC)(O)	O(CCO)	O(CClC)(CCO)	C(CH3)(OC)(O)	O(CCO)	O(CClC)(CCO)	122.4445	0.216	2	122.4445	0.047	2	122.7546	0.979	60	123.1323	3.951	219	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:3:	C-4:O-2:O-1:	C-3:	C-3:C-3:	C(CH3)(OC)(O)	O(CCO)	O(CN[5]C)(CCO)	C(CH3)(OC)(O)	O(CCO)	O(CN[5]C)(CCO)	123.1580	0.000	1	123.1580	0.000	1	122.7546	0.979	60	123.1323	3.951	219	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:3:	C-4:O-2:O-1:	C-3:	C-3:C-3:	C(CN[5a]HH)(OC)(O)	O(CCO)	O(CCO)(CHH)	C(CN[5a]HH)(OC)(O)	O(CCO)	O(CCO)(CHH)	124.6570	0.000	1	124.6570	0.000	1	122.7546	0.979	60	123.1323	3.951	219	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:3:	C-4:O-2:O-1:	C-3:	C-3:C-3:	C(CRuCH)(OC)(O)	O(CCO)	O(CCO)(CHH)	C(CRuCH)(OC)(O)	O(CCO)	O(CCO)(CHH)	122.3950	0.000	1	122.3950	0.000	1	122.7546	0.979	60	123.1323	3.951	219	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:3:	C-4:O-2:O-1:	C-3:	C-3:N-3:	C(CCHN)(ON)(O)	O(CCO)	O(CCO)(NCC)	C(CCHN)(ON)(O)	O(CCO)	O(CCO)(NCC)	124.5230	0.000	1	124.5230	0.000	1	123.9647	0.404	3	123.1323	3.951	219	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:3:	C-4:O-2:O-1:	C-3:	C-3:N-3:	C(CC[6a]HH)(ON)(O)	O(CCO)	O(CCO)(NCC)	C(CC[6a]HH)(ON)(O)	O(CCO)	O(CCO)(NCC)	123.2730	0.000	1	123.2730	0.000	1	123.9647	0.404	3	123.1323	3.951	219	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:3:	C-4:O-2:O-1:	C-3:	C-3:N-3:	C(CH3)(ON)(O)	O(CCO)	O(CCO)(NCC)	C(CH3)(ON)(O)	O(CCO)	O(CCO)(NCC)	124.0980	0.000	1	124.0980	0.000	1	123.9647	0.404	3	123.1323	3.951	219	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:3:	C-4:O-2:O-1:	C-3:	C-3:P-3:	C(CCHH)(OP)(O)	O(CCO)	O(CCO)(POO)	C(CCHH)(OP)(O)	O(CCO)	O(CCO)(POO)	111.3830	0.000	1	111.3830	0.000	1	122.0703	59.049	4	123.1323	3.951	219	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:3:	C-4:O-2:O-1:	C-3:	C-3:P-3:	C(CC[6a]HH)(OP)(O)	O(CCO)	O(CCO)(POO)	C(CC[6a]HH)(OP)(O)	O(CCO)	O(CCO)(POO)	121.5800	0.000	1	121.5800	0.000	1	122.0703	59.049	4	123.1323	3.951	219	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:3:	C-4:O-2:O-1:	C-3:	C-3:P-3:	C(CF3)(OP)(O)	O(CCO)	O(CCO)(PNO)	C(CF3)(OP)(O)	O(CCO)	O(CCO)(PNO)	127.6590	0.470	2	127.6590	0.220	2	122.0703	59.049	4	123.1323	3.951	219	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:3:	C-4:O-2:O-1:	C-3:	C[5]-3:C-3:	C(CC[6a]2H)(OC[5])(O)	O(CCO)	O(C[5]C[4,5]C[5])(CCO)	C(CC[6a]2H)(OC[5])(O)	O(CCO)	O(C[5]C[4,5]C[5])(CCO)	122.8430	0.000	1	122.8430	0.000	1	122.4600	0.293	2	123.1323	3.951	219	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:3:	C-4:O-2:O-1:	C-3:	C[5]-3:C-3:	C(CC[6a]CH)(OC[5])(O)	O(CCO)	O(C[5]C[5,5]C[5])(CCO)	C(CC[6a]CH)(OC[5])(O)	O(CCO)	O(C[5]C[5,5]C[5])(CCO)	122.0770	0.000	1	122.0770	0.000	1	122.4600	0.293	2	123.1323	3.951	219	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:3:	C-4:O-2:O-1:	C-3:	C[6a]-3:C-3:	C(CC[5,6]HH)(OC[6a])(O)	O(CCO)	O(C[6a]C[6a]2)(CCO)	C(CC[5,6]HH)(OC[6a])(O)	O(CCO)	O(C[6a]C[6a]2)(CCO)	122.1900	0.000	1	122.1900	0.000	1	123.3811	1.354	19	123.1323	3.951	219	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:3:	C-4:O-2:O-1:	C-3:	C[6a]-3:C-3:	C(CC[5]HH)(OC[6a])(O)	O(CCO)	O(C[6a]C[6a]2)(CCO)	C(CC[5]HH)(OC[6a])(O)	O(CCO)	O(C[6a]C[6a]2)(CCO)	123.4150	0.000	1	123.4150	0.000	1	123.3811	1.354	19	123.1323	3.951	219	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:3:	C-4:O-2:O-1:	C-3:	C[6a]-3:C-3:	C(CC[5]HO)(OC[6a])(O)	O(CCO)	O(C[6a]C[6a]2)(CCO)	C(CC[5]HO)(OC[6a])(O)	O(CCO)	O(C[6a]C[6a]2)(CCO)	124.8240	0.468	2	124.8240	0.219	2	123.3811	1.354	19	123.1323	3.951	219	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:3:	C-4:O-2:O-1:	C-3:	C[6a]-3:C-3:	C(CC[5a]HH)(OC[6a])(O)	O(CCO)	O(C[6a]C[6a]2)(CCO)	C(CC[5a]HH)(OC[6a])(O)	O(CCO)	O(C[6a]C[6a]2)(CCO)	122.6005	0.080	2	122.6005	0.006	2	123.3811	1.354	19	123.1323	3.951	219	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:3:	C-4:O-2:O-1:	C-3:	C[6a]-3:C-3:	C(CC[6]CH)(OC[6a])(O)	O(CCO)	O(C[6a]C[6a]2)(CCO)	C(CC[6]CH)(OC[6a])(O)	O(CCO)	O(C[6a]C[6a]2)(CCO)	123.0450	0.000	1	123.0450	0.000	1	123.3811	1.354	19	123.1323	3.951	219	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:3:	C-4:O-2:O-1:	C-3:	C[6a]-3:C-3:	C(CC[6]HH)(OC[6a])(O)	O(CCO)	O(C[6a]C[6a]2)(CCO)	C(CC[6]HH)(OC[6a])(O)	O(CCO)	O(C[6a]C[6a]2)(CCO)	124.0660	0.156	2	124.0660	0.024	2	123.3811	1.354	19	123.1323	3.951	219	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:3:	C-4:O-2:O-1:	C-3:	C[6a]-3:C-3:	C(CC[6a]2H)(OC[6a])(O)	O(CCO)	O(C[6a]C[6a]2)(CCO)	C(CC[6a]2H)(OC[6a])(O)	O(CCO)	O(C[6a]C[6a]2)(CCO)	123.2890	0.000	1	123.2890	0.000	1	123.3811	1.354	19	123.1323	3.951	219	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:3:	C-4:O-2:O-1:	C-3:	C[6a]-3:C-3:	C(CC[6a]BH)(OC[6a])(O)	O(CCO)	O(C[6a]C[6a]2)(CCO)	C(CC[6a]BH)(OC[6a])(O)	O(CCO)	O(C[6a]C[6a]2)(CCO)	120.4920	0.000	1	120.4920	0.000	1	123.3811	1.354	19	123.1323	3.951	219	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:3:	C-4:O-2:O-1:	C-3:	C[6a]-3:C-3:	C(CC[6a]CH)(OC[6a])(O)	O(CCO)	O(C[6a]C[6a]2)(CCO)	C(CC[6a]CH)(OC[6a])(O)	O(CCO)	O(C[6a]C[6a]2)(CCO)	122.6380	0.000	1	122.6380	0.000	1	123.3811	1.354	19	123.1323	3.951	219	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:3:	C-4:O-2:O-1:	C-3:	C[6a]-3:C-3:	C(CC[6a]HH)(OC[6a])(O)	O(CCO)	O(C[6a]C[6a]2)(CCO)	C(CC[6a]HH)(OC[6a])(O)	O(CCO)	O(C[6a]C[6a]2)(CCO)	122.8723	1.004	3	122.8723	1.008	3	123.3811	1.354	19	123.1323	3.951	219	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:3:	C-4:O-2:O-1:	C-3:	C[6a]-3:C-3:	C(CC[6a]HO)(OC[6a])(O)	O(CCO)	O(C[6a]C[6a]2)(CCO)	C(CC[6a]HO)(OC[6a])(O)	O(CCO)	O(C[6a]C[6a]2)(CCO)	124.3932	0.395	4	124.3932	0.156	4	123.3811	1.354	19	123.1323	3.951	219	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:3:	C-4:O-2:O-1:	C-3:	I-3:C-3:	C(CClHH)(OI)(O)	O(CCO)	O(IC[6a]O)(CCO)	C(CClHH)(OI)(O)	O(CCO)	O(IC[6a]O)(CCO)	126.5750	1.382	4	126.5750	1.909	4	124.3610	6.917	25	123.1323	3.951	219	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:3:	C-4:O-2:O-1:	C-3:	I-3:C-3:	C(CF3)(OI)(O)	O(CCO)	O(IC[6a]O)(CCO)	C(CF3)(OI)(O)	O(CCO)	O(IC[6a]O)(CCO)	127.3803	1.672	6	127.3803	2.795	6	124.3610	6.917	25	123.1323	3.951	219	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:3:	C-4:O-2:O-1:	C-3:	I-3:C-3:	C(CH3)(OI)(O)	O(CCO)	O(IC[6a]O)(CCO)	C(CH3)(OI)(O)	O(CCO)	O(IC[6a]O)(CCO)	121.9682	0.934	11	121.9682	0.872	11	124.3610	6.917	25	123.1323	3.951	219	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:3:	C-4:O-2:O-1:	C-3:	I-3:C-3:	C(CHHI)(OI)(O)	O(CCO)	O(IC[6a]O)(CCO)	C(CHHI)(OI)(O)	O(CCO)	O(IC[6a]O)(CCO)	124.1980	0.251	4	124.1980	0.063	4	124.3610	6.917	25	123.1323	3.951	219	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:3:	C-4:O-2:O-1:	C-3:	N-3:C-3:	C(CCHH)(ON)(O)	O(CCO)	O(NC[6a]C)(CCO)	C(CCHH)(ON)(O)	O(CCO)	O(NC[6a]C)(CCO)	122.9670	0.115	2	122.9670	0.013	2	123.4034	0.722	8	123.1323	3.951	219	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:3:	C-4:O-2:O-1:	C-3:	N-3:C-3:	C(CC[6a]HH)(ON)(O)	O(CCO)	O(NC[6a]C)(CCO)	C(CC[6a]HH)(ON)(O)	O(CCO)	O(NC[6a]C)(CCO)	124.2510	0.732	3	124.2510	0.535	3	123.4034	0.722	8	123.1323	3.951	219	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:3:	C-4:O-2:O-1:	C-3:	N-3:C-3:	C(CH3)(ON)(O)	O(CCO)	O(NC[6a]C)(CCO)	C(CH3)(ON)(O)	O(CCO)	O(NC[6a]C)(CCO)	122.5950	0.000	1	122.5950	0.000	1	123.4034	0.722	8	123.1323	3.951	219	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:3:	C-4:O-2:O-1:	C-3:	N-3:C-3:	C(CH3)(ON)(O)	O(CCO)	O(NC[6a]H)(CCO)	C(CH3)(ON)(O)	O(CCO)	O(NC[6a]H)(CCO)	122.9725	0.637	2	122.9725	0.406	2	123.4034	0.722	8	123.1323	3.951	219	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:3:	C-4:O-2:O-1:	C-3:	N[6]-3:C-3:	C(CC[6a]2O)(ON[6])(O)	O(CCO)	O(N[6]C[6]2)(CCO)	C(CC[6a]2O)(ON[6])(O)	O(CCO)	O(N[6]C[6]2)(CCO)	126.7920	0.000	1	126.7920	0.000	1	126.0357	1.146	3	123.1323	3.951	219	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:3:	C-4:O-2:O-1:	C-3:	N[6]-3:C-3:	C(CC[6a]HH)(ON[6])(O)	O(CCO)	O(N[6]C[6]2)(CCO)	C(CC[6a]HH)(ON[6])(O)	O(CCO)	O(N[6]C[6]2)(CCO)	124.8110	0.000	1	124.8110	0.000	1	126.0357	1.146	3	123.1323	3.951	219	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:3:	C-4:O-2:O-1:	C-3:	N[6]-3:C-3:	C(CC[6a]HO)(ON[6])(O)	O(CCO)	O(N[6]C[6]2)(CCO)	C(CC[6a]HO)(ON[6])(O)	O(CCO)	O(N[6]C[6]2)(CCO)	126.5040	0.000	1	126.5040	0.000	1	126.0357	1.146	3	123.1323	3.951	219	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:3:	C-4:O-2:O-1:	C-3:	P-3:C-3:	C(CH3)(OP)(O)	O(CCO)	O(PC[3x3,4,3x5,14x6]O)(CCO)	C(CH3)(OP)(O)	O(CCO)	O(PC[3x3,4,3x5,14x6]O)(CCO)	121.9205	0.424	2	121.9205	0.179	2	121.9205	0.179	2	123.1323	3.951	219	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:3:	C[3,3,5]-4:O-2:O-1:	C-3:	C[6a]-3:C-3:	C(C[3,3,5]C[3,3,5]2Nb[10x3])(OC[6a])(O)	O(CC[3,3,5]O)	O(C[6a]C[6a]2)(CC[3,3,5]O)	C(C[3,3,5]C[3,3,5]2Nb[10x3])(OC[6a])(O)	O(CC[3,3,5]O)	O(C[6a]C[6a]2)(CC[3,3,5]O)	125.2795	0.453	2	125.2795	0.205	2	125.2795	0.205	2	123.1323	3.951	219	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:3:	C[3,5]-4:O-2:O-1:	C-3:	C-3:C-3:	C(C[3,5]C[3,5]C[3]C[5])(OC)(O)	O(CC[3,5]O)	O(CC[3,5]O)(CCH)	C(C[3,5]C[3,5]C[3]C[5])(OC)(O)	O(CC[3,5]O)	O(CC[3,5]O)(CCH)	124.3130	0.000	1	124.3130	0.000	1	124.3130	0.000	1	123.1323	3.951	219	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:3:	C[3]-4:O-2:O-1:	C-3:	C[6a]-3:C-3:	C(C[3]C[3]2H)(OC[6a])(O)	O(CC[3]O)	O(C[6a]C[6a]2)(CC[3]O)	C(C[3]C[3]2H)(OC[6a])(O)	O(CC[3]O)	O(C[6a]C[6a]2)(CC[3]O)	123.4560	0.888	2	123.4560	0.789	2	123.2597	0.510	3	123.1323	3.951	219	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:3:	C[3]-4:O-2:O-1:	C-3:	C[6a]-3:C-3:	C(C[3]C[3]N[3]H)(OC[6a])(O)	O(CC[3]O)	O(C[6a]C[6a]2)(CC[3]O)	C(C[3]C[3]N[3]H)(OC[6a])(O)	O(CC[3]O)	O(C[6a]C[6a]2)(CC[3]O)	122.8670	0.000	1	122.8670	0.000	1	123.2597	0.510	3	123.1323	3.951	219	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:3:	C[3]-4:O-2:O-1:	C-3:	N[5]-3:C-3:	C(C[3]C[3]2H)(ON[5])(O)	O(CC[3]O)	O(N[5]C[5]2)(CC[3]O)	C(C[3]C[3]2H)(ON[5])(O)	O(CC[3]O)	O(N[5]C[5]2)(CC[3]O)	122.2550	0.000	1	122.2550	0.000	1	121.6605	0.707	2	123.1323	3.951	219	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:3:	C[3]-4:O-2:O-1:	C-3:	N[5]-3:C-3:	C(C[3]C[6a]C[3]2)(ON[5])(O)	O(CC[3]O)	O(N[5]C[5]2)(CC[3]O)	C(C[3]C[6a]C[3]2)(ON[5])(O)	O(CC[3]O)	O(N[5]C[5]2)(CC[3]O)	121.0660	0.000	1	121.0660	0.000	1	121.6605	0.707	2	123.1323	3.951	219	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:3:	C[3x6]-4:O-2:O-1:	C-3:	C-3:N-3:	C(C[3x6]C[6,6]3)(ON)(O)	O(CC[3x6]O)	O(CC[3x6]O)(NCH)	C(C[3x6]C[6,6]3)(ON)(O)	O(CC[3x6]O)	O(CC[3x6]O)(NCH)	121.8520	0.000	1	121.8520	0.000	1	121.8520	0.000	1	123.1323	3.951	219	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:3:	C[3x6]-4:O-2:O-1:	C-3:	C[6a]-3:C-3:	C(C[3x6]C[6,6]3)(OC[6a])(O)	O(CC[3x6]O)	O(C[6a]C[6a]2)(CC[3x6]O)	C(C[3x6]C[6,6]3)(OC[6a])(O)	O(CC[3x6]O)	O(C[6a]C[6a]2)(CC[3x6]O)	122.6200	0.000	1	122.6200	0.000	1	122.6200	0.000	1	123.1323	3.951	219	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:3:	C[3x6]-4:O-2:O-1:	C-3:	N[5]-3:C-3:	C(C[3x6]C[6,6]3)(ON[5])(O)	O(CC[3x6]O)	O(N[5]C[5]2)(CC[3x6]O)	C(C[3x6]C[6,6]3)(ON[5])(O)	O(CC[3x6]O)	O(N[5]C[5]2)(CC[3x6]O)	121.1610	0.000	1	121.1610	0.000	1	121.1610	0.000	1	123.1323	3.951	219	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:3:	C[4]-4:O-2:O-1:	C-3:	C[6a]-3:C-3:	C(C[4]C[4]2H)(OC[6a])(O)	O(CC[4]O)	O(C[6a]C[6a]2)(CC[4]O)	C(C[4]C[4]2H)(OC[6a])(O)	O(CC[4]O)	O(C[6a]C[6a]2)(CC[4]O)	123.9760	0.000	1	123.9760	0.000	1	123.9760	0.000	1	123.1323	3.951	219	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:3:	C[5,5,6]-4:O-2:O-1:	C-3:	C-3:C[5]-3:	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC[5])(O)	O(CC[5,5,6]O)	O(CC[5,5,6]O)(C[5]C[5]2)	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC[5])(O)	O(CC[5,5,6]O)	O(CC[5,5,6]O)(C[5]C[5]2)	123.8690	0.350	3	123.8690	0.123	3	123.8690	0.123	3	123.1323	3.951	219	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:3:	C[5,5,6]-4:O-2:O-1:	C-3:	C-3:N-3:	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(ON)(O)	O(CC[5,5,6]O)	O(CC[5,5,6]O)(NCC)	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(ON)(O)	O(CC[5,5,6]O)	O(CC[5,5,6]O)(NCC)	126.4290	0.000	1	126.4290	0.000	1	126.4290	0.000	1	123.1323	3.951	219	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:3:	C[5,5,6]-4:O-2:O-1:	C-3:	C[6a]-3:C-3:	C(C[5,5,6]C[5,5]C[5,6]2)(OC[6a])(O)	O(CC[5,5,6]O)	O(C[6a]C[6a,6a]C[6a])(CC[5,5,6]O)	C(C[5,5,6]C[5,5]C[5,6]2)(OC[6a])(O)	O(CC[5,5,6]O)	O(C[6a]C[6a,6a]C[6a])(CC[5,5,6]O)	123.2770	0.000	1	123.2770	0.000	1	124.0405	0.662	12	123.1323	3.951	219	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:3:	C[5,5,6]-4:O-2:O-1:	C-3:	C[6a]-3:C-3:	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC[6a])(O)	O(CC[5,5,6]O)	O(C[6a]C[4,6a]C[6a])(CC[5,5,6]O)	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC[6a])(O)	O(CC[5,5,6]O)	O(C[6a]C[4,6a]C[6a])(CC[5,5,6]O)	124.1050	0.492	2	124.1050	0.242	2	124.0405	0.662	12	123.1323	3.951	219	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:3:	C[5,5,6]-4:O-2:O-1:	C-3:	C[6a]-3:C-3:	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC[6a])(O)	O(CC[5,5,6]O)	O(C[6a]C[6a,6a]C[6a])(CC[5,5,6]O)	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC[6a])(O)	O(CC[5,5,6]O)	O(C[6a]C[6a,6a]C[6a])(CC[5,5,6]O)	123.5523	1.087	4	123.5523	1.183	4	124.0405	0.662	12	123.1323	3.951	219	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:3:	C[5,5,6]-4:O-2:O-1:	C-3:	C[6a]-3:C-3:	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC[6a])(O)	O(CC[5,5,6]O)	O(C[6a]C[6a]2)(CC[5,5,6]O)	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC[6a])(O)	O(CC[5,5,6]O)	O(C[6a]C[6a]2)(CC[5,5,6]O)	124.5580	0.391	5	124.5580	0.153	5	124.0405	0.662	12	123.1323	3.951	219	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:3:	C[5,6]-4:O-2:O-1:	C-3:	C[6]-3:C-3:	C(C[5,6]C[5,5,6]C[5,6]H)(OC[6])(O)	O(CC[5,6]O)	O(C[6]C[6]2)(CC[5,6]O)	C(C[5,6]C[5,5,6]C[5,6]H)(OC[6])(O)	O(CC[5,6]O)	O(C[6]C[6]2)(CC[5,6]O)	125.7250	0.000	1	125.7250	0.000	1	125.7250	0.000	1	123.1323	3.951	219	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:3:	C[5]-4:O-2:O-1:	C-3:	C-3:C-3:	C(C[5]C[5,6]C[5]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCH)	C(C[5]C[5,6]C[5]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCH)	119.0910	0.000	1	119.0910	0.000	1	122.3049	2.094	12	123.1323	3.951	219	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:3:	C[5]-4:O-2:O-1:	C-3:	C-3:C-3:	C(C[5]C[5]2Fe)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCC)	C(C[5]C[5]2Fe)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCC)	123.0640	0.000	1	123.0640	0.000	1	122.3049	2.094	12	123.1323	3.951	219	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:3:	C[5]-4:O-2:O-1:	C-3:	C-3:C-3:	C(C[5]C[5]2Fe)(OC)(O)	O(CC[5]O)	O(CC[5]O)2	C(C[5]C[5]2Fe)(OC)(O)	O(CC[5]O)	O(CC[5]O)2	122.7426	0.987	8	122.7426	0.974	8	122.3049	2.094	12	123.1323	3.951	219	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:3:	C[5]-4:O-2:O-1:	C-3:	C-3:C-3:	C(C[5]C[5]2Ru)(OC)(O)	O(CC[5]O)	O(CC[5]O)2	C(C[5]C[5]2Ru)(OC)(O)	O(CC[5]O)	O(CC[5]O)2	121.7815	1.798	2	121.7815	3.233	2	122.3049	2.094	12	123.1323	3.951	219	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:3:	C[5]-4:O-2:O-1:	C-3:	C[6a]-3:C-3:	C(C[5]C[5,6a]C[6a]C[5])(OC[6a])(O)	O(CC[5]O)	O(C[6a]C[6a]2)(CC[5]O)	C(C[5]C[5,6a]C[6a]C[5])(OC[6a])(O)	O(CC[5]O)	O(C[6a]C[6a]2)(CC[5]O)	124.2050	0.000	1	124.2050	0.000	1	123.4641	0.739	30	123.1323	3.951	219	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:3:	C[5]-4:O-2:O-1:	C-3:	C[6a]-3:C-3:	C(C[5]C[5]2C)(OC[6a])(O)	O(CC[5]O)	O(C[6a]C[6a]2)(CC[5]O)	C(C[5]C[5]2C)(OC[6a])(O)	O(CC[5]O)	O(C[6a]C[6a]2)(CC[5]O)	123.9540	0.000	2	123.9540	0.000	2	123.4641	0.739	30	123.1323	3.951	219	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:3:	C[5]-4:O-2:O-1:	C-3:	C[6a]-3:C-3:	C(C[5]C[5]2Fe)(OC[6a])(O)	O(CC[5]O)	O(C[6a]C[6a,6a]C[6a])(CC[5]O)	C(C[5]C[5]2Fe)(OC[6a])(O)	O(CC[5]O)	O(C[6a]C[6a,6a]C[6a])(CC[5]O)	123.1995	1.010	2	123.1995	1.021	2	123.4641	0.739	30	123.1323	3.951	219	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:3:	C[5]-4:O-2:O-1:	C-3:	C[6a]-3:C-3:	C(C[5]C[5]2Fe)(OC[6a])(O)	O(CC[5]O)	O(C[6a]C[6a]2)(CC[5]O)	C(C[5]C[5]2Fe)(OC[6a])(O)	O(CC[5]O)	O(C[6a]C[6a]2)(CC[5]O)	122.8422	0.638	10	122.8422	0.407	10	123.4641	0.739	30	123.1323	3.951	219	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:3:	C[5]-4:O-2:O-1:	C-3:	C[6a]-3:C-3:	C(C[5]C[5]2H)(OC[6a])(O)	O(CC[5]O)	O(C[6a]C[6a]2)(CC[5]O)	C(C[5]C[5]2H)(OC[6a])(O)	O(CC[5]O)	O(C[6a]C[6a]2)(CC[5]O)	122.9745	0.076	2	122.9745	0.006	2	123.4641	0.739	30	123.1323	3.951	219	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:3:	C[5]-4:O-2:O-1:	C-3:	C[6a]-3:C-3:	C(C[5]C[5]2O)(OC[6a])(O)	O(CC[5]O)	O(C[6a]C[6a]2)(CC[5]O)	C(C[5]C[5]2O)(OC[6a])(O)	O(CC[5]O)	O(C[6a]C[6a]2)(CC[5]O)	122.3760	0.000	1	122.3760	0.000	1	123.4641	0.739	30	123.1323	3.951	219	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:3:	C[5]-4:O-2:O-1:	C-3:	C[6a]-3:C-3:	C(C[5]C[5]2Ru)(OC[6a])(O)	O(CC[5]O)	O(C[6a]C[6a]2)(CC[5]O)	C(C[5]C[5]2Ru)(OC[6a])(O)	O(CC[5]O)	O(C[6a]C[6a]2)(CC[5]O)	124.4534	0.659	5	124.4534	0.435	5	123.4641	0.739	30	123.1323	3.951	219	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:3:	C[5]-4:O-2:O-1:	C-3:	C[6a]-3:C-3:	C(C[5]C[5]2V)(OC[6a])(O)	O(CC[5]O)	O(C[6a]C[6a]2)(CC[5]O)	C(C[5]C[5]2V)(OC[6a])(O)	O(CC[5]O)	O(C[6a]C[6a]2)(CC[5]O)	124.8070	0.000	1	124.8070	0.000	1	123.4641	0.739	30	123.1323	3.951	219	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:3:	C[5]-4:O-2:O-1:	C-3:	C[6a]-3:C-3:	C(C[5]C[5]N[5]H)(OC[6a])(O)	O(CC[5]O)	O(C[6a]C[6a,6a]C[6a])(CC[5]O)	C(C[5]C[5]N[5]H)(OC[6a])(O)	O(CC[5]O)	O(C[6a]C[6a,6a]C[6a])(CC[5]O)	123.7770	0.000	1	123.7770	0.000	1	123.4641	0.739	30	123.1323	3.951	219	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:3:	C[5]-4:O-2:O-1:	C-3:	C[6a]-3:C-3:	C(C[5]C[5]N[5]H)(OC[6a])(O)	O(CC[5]O)	O(C[6a]C[6a]2)(CC[5]O)	C(C[5]C[5]N[5]H)(OC[6a])(O)	O(CC[5]O)	O(C[6a]C[6a]2)(CC[5]O)	123.5800	0.844	2	123.5800	0.713	2	123.4641	0.739	30	123.1323	3.951	219	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:3:	C[5]-4:O-2:O-1:	C-3:	C[6a]-3:C-3:	C(C[5]C[6a]C[5]2)(OC[6a])(O)	O(CC[5]O)	O(C[6a]C[6a,6a]C[6a])(CC[5]O)	C(C[5]C[6a]C[5]2)(OC[6a])(O)	O(CC[5]O)	O(C[6a]C[6a,6a]C[6a])(CC[5]O)	123.0280	0.000	1	123.0280	0.000	1	123.4641	0.739	30	123.1323	3.951	219	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:3:	C[5]-4:O-2:O-1:	C-3:	C[6a]-3:C-3:	C(C[5]C[6a]C[5]N[5])(OC[6a])(O)	O(CC[5]O)	O(C[6a]C[6a]2)(CC[5]O)	C(C[5]C[6a]C[5]N[5])(OC[6a])(O)	O(CC[5]O)	O(C[6a]C[6a]2)(CC[5]O)	123.8120	0.591	2	123.8120	0.349	2	123.4641	0.739	30	123.1323	3.951	219	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:3:	C[5]-4:O-2:O-1:	C-3:	N[5]-3:C-3:	C(C[5]C[5]2Fe)(ON[5])(O)	O(CC[5]O)	O(N[5]C[5]2)(CC[5]O)	C(C[5]C[5]2Fe)(ON[5])(O)	O(CC[5]O)	O(N[5]C[5]2)(CC[5]O)	122.9710	0.000	1	122.9710	0.000	1	122.9710	0.000	1	123.1323	3.951	219	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:3:	C[5]-4:O-2:O-1:	C-3:	N[5a]-3:C-3:	C(C[5]C[5]2Fe)(ON[5a])(O)	O(CC[5]O)	O(N[5a]C[5a,6a]N[5a])(CC[5]O)	C(C[5]C[5]2Fe)(ON[5a])(O)	O(CC[5]O)	O(N[5a]C[5a,6a]N[5a])(CC[5]O)	122.2110	0.000	1	122.2110	0.000	1	122.2110	0.000	1	123.1323	3.951	219	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:3:	C[6,6]-4:O-2:O-1:	C-3:	C-3:C-3:	C(C[6,6]C[6,6]2H)(OC)(O)	O(CC[6,6]O)	O(CC[6,6]O)(CHH)	C(C[6,6]C[6,6]2H)(OC)(O)	O(CC[6,6]O)	O(CC[6,6]O)(CHH)	122.7900	0.000	1	122.7900	0.000	1	122.7900	0.000	1	123.1323	3.951	219	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:3:	C[6]-4:O-2:O-1:	C-3:	C-3:C-3:	C(C[6]C[4x6]C[6]H)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCO)	C(C[6]C[4x6]C[6]H)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCO)	115.4040	0.000	1	115.4040	0.000	1	119.7535	15.149	8	123.1323	3.951	219	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:3:	C[6]-4:O-2:O-1:	C-3:	C-3:C-3:	C(C[6]C[5,6,6]C[6]H)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCO)	C(C[6]C[5,6,6]C[6]H)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCO)	115.1400	0.355	2	115.1400	0.126	2	119.7535	15.149	8	123.1323	3.951	219	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:3:	C[6]-4:O-2:O-1:	C-3:	C-3:C-3:	C(C[6]C[6]2C)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CHH)	C(C[6]C[6]2C)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CHH)	123.8980	0.000	1	123.8980	0.000	1	119.7535	15.149	8	123.1323	3.951	219	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:3:	C[6]-4:O-2:O-1:	C-3:	C-3:C-3:	C(C[6]C[6]2C)(OC)(O)	O(CC[6]O)	O(CC[6]O)2	C(C[6]C[6]2C)(OC)(O)	O(CC[6]O)	O(CC[6]O)2	122.1115	1.293	4	122.1115	1.671	4	119.7535	15.149	8	123.1323	3.951	219	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:3:	C[6]-4:O-2:O-1:	C-3:	C[6a]-3:C-3:	C(C[6]C[6]2C)(OC[6a])(O)	O(CC[6]O)	O(C[6a]C[6a]2)(CC[6]O)	C(C[6]C[6]2C)(OC[6a])(O)	O(CC[6]O)	O(C[6a]C[6a]2)(CC[6]O)	123.1340	0.361	2	123.1340	0.130	2	122.7393	0.780	6	123.1323	3.951	219	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:3:	C[6]-4:O-2:O-1:	C-3:	C[6a]-3:C-3:	C(C[6]C[6]2H)(OC[6a])(O)	O(CC[6]O)	O(C[6a]C[6a]2)(CC[6]O)	C(C[6]C[6]2H)(OC[6a])(O)	O(CC[6]O)	O(C[6a]C[6a]2)(CC[6]O)	122.5420	1.049	4	122.5420	1.101	4	122.7393	0.780	6	123.1323	3.951	219	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:3:	C[6]-4:O-2:O-1:	C-3:	N[5]-3:C-3:	C(C[6]C[6]2H)(ON[5])(O)	O(CC[6]O)	O(N[5]C[5]2)(CC[6]O)	C(C[6]C[6]2H)(ON[5])(O)	O(CC[6]O)	O(N[5]C[5]2)(CC[6]O)	121.4010	0.000	1	121.4010	0.000	1	121.4010	0.000	1	123.1323	3.951	219	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[3,3,5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[3,3,5]C[3,3,5]2Nb[10x3])(OC)(O)	O(CC[3,3,5]O)	O(CC[3,3,5]O)(CCHH)	C(C[3,3,5]C[3,3,5]2Nb[10x3])(OC)(O)	O(CC[3,3,5]O)	O(CC[3,3,5]O)(CCHH)	124.3060	0.000	1	124.3060	0.000	1	124.6470	0.233	2	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[3,3,5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[3,3,5]C[3,3,5]2Nb[10x3])(OC)(O)	O(CC[3,3,5]O)	O(CC[3,3,5]O)(CH3)	C(C[3,3,5]C[3,3,5]2Nb[10x3])(OC)(O)	O(CC[3,3,5]O)	O(CC[3,3,5]O)(CH3)	124.9880	0.000	1	124.9880	0.000	1	124.6470	0.233	2	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[3,3]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[3,3]C[3,6,6]2C[3,3])(OC)(O)	O(CC[3,3]O)	O(CC[3,3]O)(CH3)	C(C[3,3]C[3,6,6]2C[3,3])(OC)(O)	O(CC[3,3]O)	O(CC[3,3]O)(CH3)	123.0710	0.502	2	123.0710	0.252	2	123.0710	0.252	2	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[3,4,5,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[3,4,5,6]C[3,4,5,6]C[4,5,5,6]P[3,4,4])(OC)(O)	O(CC[3,4,5,6]O)	O(CC[3,4,5,6]O)(CCHH)	C(C[3,4,5,6]C[3,4,5,6]C[4,5,5,6]P[3,4,4])(OC)(O)	O(CC[3,4,5,6]O)	O(CC[3,4,5,6]O)(CCHH)	125.3525	0.299	2	125.3525	0.089	2	125.3525	0.089	2	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[3,5,5,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[3,5,5,6]C[3,5,5,6]C[3,5,5]C[4x5,6])(OC)(O)	O(CC[3,5,5,6]O)	O(CC[3,5,5,6]O)(CCHH)	C(C[3,5,5,6]C[3,5,5,6]C[3,5,5]C[4x5,6])(OC)(O)	O(CC[3,5,5,6]O)	O(CC[3,5,5,6]O)(CCHH)	123.7160	0.000	1	123.7160	0.000	1	123.7160	0.000	1	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[3,5,5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[3,5,5]C[3,5]2C[5,5])(OC)(O)	O(CC[3,5,5]O)	O(CC[3,5,5]O)(CH3)	C(C[3,5,5]C[3,5]2C[5,5])(OC)(O)	O(CC[3,5,5]O)	O(CC[3,5,5]O)(CH3)	124.6945	0.023	2	124.6945	0.001	2	124.6945	0.001	2	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[3,5,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[3,5,6]C[3,5,6]C[5,5,6]C[3])(OC)(O)	O(CC[3,5,6]O)	O(CC[3,5,6]O)(CH3)	C(C[3,5,6]C[3,5,6]C[5,5,6]C[3])(OC)(O)	O(CC[3,5,6]O)	O(CC[3,5,6]O)(CH3)	125.4515	0.359	2	125.4515	0.129	2	125.4515	0.129	2	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[3,5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[3,5]C[3,3x5]C[5,6a]C[3,5])(OC)(O)	O(CC[3,5]O)	O(CC[3,5]O)(CH3)	C(C[3,5]C[3,3x5]C[5,6a]C[3,5])(OC)(O)	O(CC[3,5]O)	O(CC[3,5]O)(CH3)	123.4750	0.000	1	123.4750	0.000	1	124.4629	0.847	33	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[3,5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[3,5]C[3,5,5]C[3,5]C[5])(OC)(O)	O(CC[3,5]O)	O(CC[3,5]O)(CCHH)	C(C[3,5]C[3,5,5]C[3,5]C[5])(OC)(O)	O(CC[3,5]O)	O(CC[3,5]O)(CCHH)	122.7510	0.000	1	122.7510	0.000	1	124.4629	0.847	33	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[3,5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[3,5]C[3,5,5]C[3,5]C[5])(OC)(O)	O(CC[3,5]O)	O(CC[3,5]O)(CH3)	C(C[3,5]C[3,5,5]C[3,5]C[5])(OC)(O)	O(CC[3,5]O)	O(CC[3,5]O)(CH3)	123.9577	0.346	3	123.9577	0.120	3	124.4629	0.847	33	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[3,5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[3,5]C[3,5,5]C[5,6a]C[3,5])(OC)(O)	O(CC[3,5]O)	O(CC[3,5]O)(CH3)	C(C[3,5]C[3,5,5]C[5,6a]C[3,5])(OC)(O)	O(CC[3,5]O)	O(CC[3,5]O)(CH3)	124.1762	0.601	5	124.1762	0.361	5	124.4629	0.847	33	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[3,5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[3,5]C[3,5,6]C[3,6]C[5])(OC)(O)	O(CC[3,5]O)	O(CC[3,5]O)(CC3)	C(C[3,5]C[3,5,6]C[3,6]C[5])(OC)(O)	O(CC[3,5]O)	O(CC[3,5]O)(CC3)	127.6110	0.000	1	127.6110	0.000	1	124.4629	0.847	33	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[3,5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[3,5]C[3,5,6]C[3,6]C[5])(OC)(O)	O(CC[3,5]O)	O(CC[3,5]O)(CH3)	C(C[3,5]C[3,5,6]C[3,6]C[5])(OC)(O)	O(CC[3,5]O)	O(CC[3,5]O)(CH3)	123.6240	0.000	1	123.6240	0.000	1	124.4629	0.847	33	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[3,5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[3,5]C[3,5]C[3]C[5])(OC)(O)	O(CC[3,5]O)	O(CC[3,5]O)(CCHH)	C(C[3,5]C[3,5]C[3]C[5])(OC)(O)	O(CC[3,5]O)	O(CC[3,5]O)(CCHH)	124.3654	0.627	10	124.3654	0.393	10	124.4629	0.847	33	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[3,5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[3,5]C[3,5]C[3]C[5])(OC)(O)	O(CC[3,5]O)	O(CC[3,5]O)(CH3)	C(C[3,5]C[3,5]C[3]C[5])(OC)(O)	O(CC[3,5]O)	O(CC[3,5]O)(CH3)	124.1340	1.171	2	124.1340	1.371	2	124.4629	0.847	33	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[3,5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[3,5]C[3,5]C[3]O[5])(OC)(O)	O(CC[3,5]O)	O(CC[3,5]O)(CH3)	C(C[3,5]C[3,5]C[3]O[5])(OC)(O)	O(CC[3,5]O)	O(CC[3,5]O)(CH3)	124.6390	0.000	1	124.6390	0.000	1	124.4629	0.847	33	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[3,5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[3,5]C[3,5]C[5,6]C[3])(OC)(O)	O(CC[3,5]O)	O(CC[3,5]O)(CH3)	C(C[3,5]C[3,5]C[5,6]C[3])(OC)(O)	O(CC[3,5]O)	O(CC[3,5]O)(CH3)	125.4620	0.000	1	125.4620	0.000	1	124.4629	0.847	33	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[3,5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[3,5]C[3,5]C[5]N[3])(OC)(O)	O(CC[3,5]O)	O(CC[3,5]O)(CH3)	C(C[3,5]C[3,5]C[5]N[3])(OC)(O)	O(CC[3,5]O)	O(CC[3,5]O)(CH3)	124.5570	0.000	1	124.5570	0.000	1	124.4629	0.847	33	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[3,5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[3,5]C[5,5a]C[3,5]C[3])(OC)(O)	O(CC[3,5]O)	O(CC[3,5]O)(CCHH)	C(C[3,5]C[5,5a]C[3,5]C[3])(OC)(O)	O(CC[3,5]O)	O(CC[3,5]O)(CCHH)	124.5080	0.000	1	124.5080	0.000	1	124.4629	0.847	33	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[3,5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[3,5]C[5,6]N[3,5]C[3])(OC)(O)	O(CC[3,5]O)	O(CC[3,5]O)(CH3)	C(C[3,5]C[5,6]N[3,5]C[3])(OC)(O)	O(CC[3,5]O)	O(CC[3,5]O)(CH3)	125.3460	0.000	1	125.3460	0.000	1	124.4629	0.847	33	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[3,5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[3,5]C[5,6a]N[3,5]C[3])(OC)(O)	O(CC[3,5]O)	O(CC[3,5]O)(CCHH)	C(C[3,5]C[5,6a]N[3,5]C[3])(OC)(O)	O(CC[3,5]O)	O(CC[3,5]O)(CCHH)	125.3963	0.189	3	125.3963	0.036	3	124.4629	0.847	33	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[3,5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[3,5]N[3,5]C[3]C[5])(OC)(O)	O(CC[3,5]O)	O(CC[3,5]O)(CH3)	C(C[3,5]N[3,5]C[3]C[5])(OC)(O)	O(CC[3,5]O)	O(CC[3,5]O)(CH3)	124.4370	0.000	1	124.4370	0.000	1	124.4629	0.847	33	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[3,6,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[3,6,6]C[3,5,6,6]2C[6,6])(OC)(O)	O(CC[3,6,6]O)	O(CC[3,6,6]O)(CH3)	C(C[3,6,6]C[3,5,6,6]2C[6,6])(OC)(O)	O(CC[3,6,6]O)	O(CC[3,6,6]O)(CH3)	123.2340	0.000	1	123.2340	0.000	1	124.1255	1.590	2	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[3,6,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[3,6,6]C[3,6,6]C[3x6]O[3])(OC)(O)	O(CC[3,6,6]O)	O(CC[3,6,6]O)(CH3)	C(C[3,6,6]C[3,6,6]C[3x6]O[3])(OC)(O)	O(CC[3,6,6]O)	O(CC[3,6,6]O)(CH3)	125.0170	0.000	1	125.0170	0.000	1	124.1255	1.590	2	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[3,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[3,6]C[3,6]2O[3])(OC)(O)	O(CC[3,6]O)	O(CC[3,6]O)(CH3)	C(C[3,6]C[3,6]2O[3])(OC)(O)	O(CC[3,6]O)	O(CC[3,6]O)(CH3)	124.1680	0.000	1	124.1680	0.000	1	124.2441	0.311	14	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[3,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[3,6]C[3,6]C[3]C[6])(OC)(O)	O(CC[3,6]O)	O(CC[3,6]O)(CCHH)	C(C[3,6]C[3,6]C[3]C[6])(OC)(O)	O(CC[3,6]O)	O(CC[3,6]O)(CCHH)	125.0880	0.000	1	125.0880	0.000	1	124.2441	0.311	14	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[3,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[3,6]C[3,6]C[3]C[6])(OC)(O)	O(CC[3,6]O)	O(CC[3,6]O)(CH3)	C(C[3,6]C[3,6]C[3]C[6])(OC)(O)	O(CC[3,6]O)	O(CC[3,6]O)(CH3)	123.6514	0.353	5	123.6514	0.125	5	124.2441	0.311	14	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[3,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[3,6]C[3,6]C[3]N[6])(OC)(O)	O(CC[3,6]O)	O(CC[3,6]O)(CCHH)	C(C[3,6]C[3,6]C[3]N[6])(OC)(O)	O(CC[3,6]O)	O(CC[3,6]O)(CCHH)	124.6820	0.000	1	124.6820	0.000	1	124.2441	0.311	14	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[3,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[3,6]C[3,6]C[3]O[6])(OC)(O)	O(CC[3,6]O)	O(CC[3,6]O)(CCHH)	C(C[3,6]C[3,6]C[3]O[6])(OC)(O)	O(CC[3,6]O)	O(CC[3,6]O)(CCHH)	124.7490	0.000	1	124.7490	0.000	1	124.2441	0.311	14	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[3,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[3,6]C[3,6]C[5,6]O[3])(OC)(O)	O(CC[3,6]O)	O(CC[3,6]O)(CH3)	C(C[3,6]C[3,6]C[5,6]O[3])(OC)(O)	O(CC[3,6]O)	O(CC[3,6]O)(CH3)	124.1980	0.000	1	124.1980	0.000	1	124.2441	0.311	14	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[3,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[3,6]C[3,6]C[6]N[3])(OC)(O)	O(CC[3,6]O)	O(CC[3,6]O)(CCHH)	C(C[3,6]C[3,6]C[6]N[3])(OC)(O)	O(CC[3,6]O)	O(CC[3,6]O)(CCHH)	124.9410	0.000	1	124.9410	0.000	1	124.2441	0.311	14	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[3,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[3,6]C[3,6]C[6]O[3])(OC)(O)	O(CC[3,6]O)	O(CC[3,6]O)(CH3)	C(C[3,6]C[3,6]C[6]O[3])(OC)(O)	O(CC[3,6]O)	O(CC[3,6]O)(CH3)	124.4500	0.000	1	124.4500	0.000	1	124.2441	0.311	14	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[3,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[3,6]C[6,6a]C[3,6]C[3])(OC)(O)	O(CC[3,6]O)	O(CC[3,6]O)(CCHH)	C(C[3,6]C[6,6a]C[3,6]C[3])(OC)(O)	O(CC[3,6]O)	O(CC[3,6]O)(CCHH)	124.3810	0.000	1	124.3810	0.000	1	124.2441	0.311	14	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[3,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[3,6]C[6,6a]C[3,6]C[3])(OC)(O)	O(CC[3,6]O)	O(CC[3,6]O)(CH3)	C(C[3,6]C[6,6a]C[3,6]C[3])(OC)(O)	O(CC[3,6]O)	O(CC[3,6]O)(CH3)	124.5040	0.000	1	124.5040	0.000	1	124.2441	0.311	14	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[3]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[3]B[3]C[3]H)(OC)(O)	O(CC[3]O)	O(CC[3]O)(CH3)	C(C[3]B[3]C[3]H)(OC)(O)	O(CC[3]O)	O(CC[3]O)(CH3)	122.0146	0.399	8	122.0146	0.159	8	124.4578	2.547	334	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[3]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[3]C[3,4]2C[6a])(OC)(O)	O(CC[3]O)	O(CC[3]O)(CH3)	C(C[3]C[3,4]2C[6a])(OC)(O)	O(CC[3]O)	O(CC[3]O)(CH3)	123.2210	0.000	1	123.2210	0.000	1	124.4578	2.547	334	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[3]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[3]C[3,4]C[6a]C[3])(OC)(O)	O(CC[3]O)	O(CC[3]O)(CH3)	C(C[3]C[3,4]C[6a]C[3])(OC)(O)	O(CC[3]O)	O(CC[3]O)(CH3)	123.8330	0.000	1	123.8330	0.000	1	124.4578	2.547	334	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[3]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[3]C[3,5,6,6]2C)(OC)(O)	O(CC[3]O)	O(CC[3]O)(CC3)	C(C[3]C[3,5,6,6]2C)(OC)(O)	O(CC[3]O)	O(CC[3]O)(CC3)	127.4142	0.890	6	127.4142	0.792	6	124.4578	2.547	334	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[3]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[3]C[3,5,6,6]2C)(OC)(O)	O(CC[3]O)	O(CC[3]O)(CCHH)	C(C[3]C[3,5,6,6]2C)(OC)(O)	O(CC[3]O)	O(CC[3]O)(CCHH)	125.6064	0.551	24	125.6064	0.304	24	124.4578	2.547	334	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[3]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[3]C[3,5,6,6]2C)(OC)(O)	O(CC[3]O)	O(CC[3]O)(CH3)	C(C[3]C[3,5,6,6]2C)(OC)(O)	O(CC[3]O)	O(CC[3]O)(CH3)	123.8590	0.000	1	123.8590	0.000	1	124.4578	2.547	334	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[3]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[3]C[3,5,6]2C)(OC)(O)	O(CC[3]O)	O(CC[3]O)(CCHH)	C(C[3]C[3,5,6]2C)(OC)(O)	O(CC[3]O)	O(CC[3]O)(CCHH)	123.7220	0.000	1	123.7220	0.000	1	124.4578	2.547	334	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[3]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[3]C[3,5,6]2H)(OC)(O)	O(CC[3]O)	O(CC[3]O)(CH3)	C(C[3]C[3,5,6]2H)(OC)(O)	O(CC[3]O)	O(CC[3]O)(CH3)	123.9253	0.821	7	123.9253	0.675	7	124.4578	2.547	334	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[3]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[3]C[3,5]2C)(OC)(O)	O(CC[3]O)	O(CC[3]O)(CCHH)	C(C[3]C[3,5]2C)(OC)(O)	O(CC[3]O)	O(CC[3]O)(CCHH)	126.9110	0.000	1	126.9110	0.000	1	124.4578	2.547	334	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[3]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[3]C[3,5]2C)(OC)(O)	O(CC[3]O)	O(CC[3]O)(CH3)	C(C[3]C[3,5]2C)(OC)(O)	O(CC[3]O)	O(CC[3]O)(CH3)	124.4040	0.447	4	124.4040	0.200	4	124.4578	2.547	334	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[3]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[3]C[3,5]2C[5,6])(OC)(O)	O(CC[3]O)	O(CC[3]O)(CH3)	C(C[3]C[3,5]2C[5,6])(OC)(O)	O(CC[3]O)	O(CC[3]O)(CH3)	124.8670	0.000	1	124.8670	0.000	1	124.4578	2.547	334	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[3]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[3]C[3,5]2C[6a])(OC)(O)	O(CC[3]O)	O(CC[3]O)(CH3)	C(C[3]C[3,5]2C[6a])(OC)(O)	O(CC[3]O)	O(CC[3]O)(CH3)	123.5996	0.456	5	123.5996	0.208	5	124.4578	2.547	334	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[3]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[3]C[3,5]2H)(OC)(O)	O(CC[3]O)	O(CC[3]O)(CC3)	C(C[3]C[3,5]2H)(OC)(O)	O(CC[3]O)	O(CC[3]O)(CC3)	125.9133	0.303	3	125.9133	0.092	3	124.4578	2.547	334	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[3]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[3]C[3,5]2H)(OC)(O)	O(CC[3]O)	O(CC[3]O)(CCHH)	C(C[3]C[3,5]2H)(OC)(O)	O(CC[3]O)	O(CC[3]O)(CCHH)	124.3900	0.604	4	124.3900	0.364	4	124.4578	2.547	334	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[3]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[3]C[3,5]2H)(OC)(O)	O(CC[3]O)	O(CC[3]O)(CH3)	C(C[3]C[3,5]2H)(OC)(O)	O(CC[3]O)	O(CC[3]O)(CH3)	124.5188	0.608	5	124.5188	0.370	5	124.4578	2.547	334	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[3]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[3]C[3,5]C[3]C)(OC)(O)	O(CC[3]O)	O(CC[3]O)(CCHH)	C(C[3]C[3,5]C[3]C)(OC)(O)	O(CC[3]O)	O(CC[3]O)(CCHH)	124.7022	1.204	5	124.7022	1.450	5	124.4578	2.547	334	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[3]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[3]C[3,5]C[3]C)(OC)(O)	O(CC[3]O)	O(CC[3]O)(CH3)	C(C[3]C[3,5]C[3]C)(OC)(O)	O(CC[3]O)	O(CC[3]O)(CH3)	126.0084	1.011	8	126.0084	1.022	8	124.4578	2.547	334	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[3]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[3]C[3,5]C[3]H)(OC)(O)	O(CC[3]O)	O(CC[3]O)(CC3)	C(C[3]C[3,5]C[3]H)(OC)(O)	O(CC[3]O)	O(CC[3]O)(CC3)	126.7670	0.000	1	126.7670	0.000	1	124.4578	2.547	334	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[3]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[3]C[3,5]C[3]H)(OC)(O)	O(CC[3]O)	O(CC[3]O)(CCHH)	C(C[3]C[3,5]C[3]H)(OC)(O)	O(CC[3]O)	O(CC[3]O)(CCHH)	124.7610	0.218	3	124.7610	0.048	3	124.4578	2.547	334	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[3]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[3]C[3,5]C[3]H)(OC)(O)	O(CC[3]O)	O(CC[3]O)(CH3)	C(C[3]C[3,5]C[3]H)(OC)(O)	O(CC[3]O)	O(CC[3]O)(CH3)	124.0250	0.414	3	124.0250	0.171	3	124.4578	2.547	334	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[3]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[3]C[3,5]C[6a]C[3])(OC)(O)	O(CC[3]O)	O(CC[3]O)(CCHH)	C(C[3]C[3,5]C[6a]C[3])(OC)(O)	O(CC[3]O)	O(CC[3]O)(CCHH)	124.7330	0.000	1	124.7330	0.000	1	124.4578	2.547	334	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[3]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[3]C[3,5]N[3,5]H)(OC)(O)	O(CC[3]O)	O(CC[3]O)(CCHH)	C(C[3]C[3,5]N[3,5]H)(OC)(O)	O(CC[3]O)	O(CC[3]O)(CCHH)	124.1000	0.000	1	124.1000	0.000	1	124.4578	2.547	334	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[3]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[3]C[3,5]N[3]H)(OC)(O)	O(CC[3]O)	O(CC[3]O)(CCHH)	C(C[3]C[3,5]N[3]H)(OC)(O)	O(CC[3]O)	O(CC[3]O)(CCHH)	125.4545	0.074	2	125.4545	0.006	2	124.4578	2.547	334	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[3]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[3]C[3,5]O[3]H)(OC)(O)	O(CC[3]O)	O(CC[3]O)(CH3)	C(C[3]C[3,5]O[3]H)(OC)(O)	O(CC[3]O)	O(CC[3]O)(CH3)	125.0030	0.000	1	125.0030	0.000	1	124.4578	2.547	334	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[3]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[3]C[3,6,6]2C)(OC)(O)	O(CC[3]O)	O(CC[3]O)(CC3)	C(C[3]C[3,6,6]2C)(OC)(O)	O(CC[3]O)	O(CC[3]O)(CC3)	127.0720	0.000	1	127.0720	0.000	1	124.4578	2.547	334	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[3]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[3]C[3,6]2C)(OC)(O)	O(CC[3]O)	O(CC[3]O)(CC3)	C(C[3]C[3,6]2C)(OC)(O)	O(CC[3]O)	O(CC[3]O)(CC3)	126.3470	0.000	1	126.3470	0.000	1	124.4578	2.547	334	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[3]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[3]C[3,6]2C)(OC)(O)	O(CC[3]O)	O(CC[3]O)(CCHH)	C(C[3]C[3,6]2C)(OC)(O)	O(CC[3]O)	O(CC[3]O)(CCHH)	124.8430	0.580	3	124.8430	0.337	3	124.4578	2.547	334	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[3]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[3]C[3,6]2C)(OC)(O)	O(CC[3]O)	O(CC[3]O)(CH3)	C(C[3]C[3,6]2C)(OC)(O)	O(CC[3]O)	O(CC[3]O)(CH3)	122.9077	0.364	3	122.9077	0.133	3	124.4578	2.547	334	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[3]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[3]C[3,6]2C[6a])(OC)(O)	O(CC[3]O)	O(CC[3]O)(CH3)	C(C[3]C[3,6]2C[6a])(OC)(O)	O(CC[3]O)	O(CC[3]O)(CH3)	122.7233	0.713	3	122.7233	0.509	3	124.4578	2.547	334	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[3]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[3]C[3,6]2H)(OC)(O)	O(CC[3]O)	O(CC[3]O)(CCHH)	C(C[3]C[3,6]2H)(OC)(O)	O(CC[3]O)	O(CC[3]O)(CCHH)	124.3811	0.774	10	124.3811	0.600	10	124.4578	2.547	334	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[3]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[3]C[3,6]2H)(OC)(O)	O(CC[3]O)	O(CC[3]O)(CH3)	C(C[3]C[3,6]2H)(OC)(O)	O(CC[3]O)	O(CC[3]O)(CH3)	123.8775	0.450	2	123.8775	0.203	2	124.4578	2.547	334	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[3]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[3]C[3,6]C[3]C)(OC)(O)	O(CC[3]O)	O(CC[3]O)(CH3)	C(C[3]C[3,6]C[3]C)(OC)(O)	O(CC[3]O)	O(CC[3]O)(CH3)	126.9270	0.000	1	126.9270	0.000	1	124.4578	2.547	334	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[3]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[3]C[3,6]C[3]H)(OC)(O)	O(CC[3]O)	O(CC[3]O)(CCHH)	C(C[3]C[3,6]C[3]H)(OC)(O)	O(CC[3]O)	O(CC[3]O)(CCHH)	124.1980	0.883	4	124.1980	0.780	4	124.4578	2.547	334	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[3]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[3]C[3,6]O[3]H)(OC)(O)	O(CC[3]O)	O(CC[3]O)(CH3)	C(C[3]C[3,6]O[3]H)(OC)(O)	O(CC[3]O)	O(CC[3]O)(CH3)	125.4740	1.078	2	125.4740	1.161	2	124.4578	2.547	334	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[3]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[3]C[3]2C)(OC)(O)	O(CC[3]O)	O(CC[3]O)(CC3)	C(C[3]C[3]2C)(OC)(O)	O(CC[3]O)	O(CC[3]O)(CC3)	127.4361	0.574	7	127.4361	0.330	7	124.4578	2.547	334	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[3]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[3]C[3]2C)(OC)(O)	O(CC[3]O)	O(CC[3]O)(CCHH)	C(C[3]C[3]2C)(OC)(O)	O(CC[3]O)	O(CC[3]O)(CCHH)	125.1052	1.187	16	125.1052	1.409	16	124.4578	2.547	334	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[3]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[3]C[3]2C)(OC)(O)	O(CC[3]O)	O(CC[3]O)(CH3)	C(C[3]C[3]2C)(OC)(O)	O(CC[3]O)	O(CC[3]O)(CH3)	124.0879	1.054	61	124.0879	1.111	61	124.4578	2.547	334	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[3]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[3]C[3]2H)(OC)(O)	O(CC[3]O)	O(CC[3]O)(CC3)	C(C[3]C[3]2H)(OC)(O)	O(CC[3]O)	O(CC[3]O)(CC3)	125.4470	0.356	4	125.4470	0.126	4	124.4578	2.547	334	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[3]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[3]C[3]2H)(OC)(O)	O(CC[3]O)	O(CC[3]O)(CCCH)	C(C[3]C[3]2H)(OC)(O)	O(CC[3]O)	O(CC[3]O)(CCCH)	116.6440	1.146	2	116.6440	1.312	2	124.4578	2.547	334	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[3]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[3]C[3]2H)(OC)(O)	O(CC[3]O)	O(CC[3]O)(CCHH)	C(C[3]C[3]2H)(OC)(O)	O(CC[3]O)	O(CC[3]O)(CCHH)	123.4167	1.438	14	123.4167	2.069	14	124.4578	2.547	334	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[3]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[3]C[3]2H)(OC)(O)	O(CC[3]O)	O(CC[3]O)(CH3)	C(C[3]C[3]2H)(OC)(O)	O(CC[3]O)	O(CC[3]O)(CH3)	123.4487	1.206	20	123.4487	1.455	20	124.4578	2.547	334	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[3]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[3]C[3]2I)(OC)(O)	O(CC[3]O)	O(CC[3]O)(CCHH)	C(C[3]C[3]2I)(OC)(O)	O(CC[3]O)	O(CC[3]O)(CCHH)	125.5110	0.000	1	125.5110	0.000	1	124.4578	2.547	334	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[3]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[3]C[3]2N)(OC)(O)	O(CC[3]O)	O(CC[3]O)(CCHH)	C(C[3]C[3]2N)(OC)(O)	O(CC[3]O)	O(CC[3]O)(CCHH)	119.7500	0.000	1	119.7500	0.000	1	124.4578	2.547	334	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[3]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[3]C[3]2N)(OC)(O)	O(CC[3]O)	O(CC[3]O)(CH3)	C(C[3]C[3]2N)(OC)(O)	O(CC[3]O)	O(CC[3]O)(CH3)	123.8190	0.371	3	123.8190	0.138	3	124.4578	2.547	334	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[3]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[3]C[3]2N[5])(OC)(O)	O(CC[3]O)	O(CC[3]O)(CH3)	C(C[3]C[3]2N[5])(OC)(O)	O(CC[3]O)	O(CC[3]O)(CH3)	123.9660	0.348	2	123.9660	0.121	2	124.4578	2.547	334	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[3]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[3]C[3]2Pd)(OC)(O)	O(CC[3]O)	O(CC[3]O)(CCHH)	C(C[3]C[3]2Pd)(OC)(O)	O(CC[3]O)	O(CC[3]O)(CCHH)	121.4818	0.158	4	121.4818	0.025	4	124.4578	2.547	334	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[3]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[3]C[3]3)(OC)(O)	O(CC[3]O)	O(CC[3]O)(CCHH)	C(C[3]C[3]3)(OC)(O)	O(CC[3]O)	O(CC[3]O)(CCHH)	122.4603	0.262	4	122.4603	0.069	4	124.4578	2.547	334	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[3]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[3]C[3]C[5]O[3])(OC)(O)	O(CC[3]O)	O(CC[3]O)(CC3)	C(C[3]C[3]C[5]O[3])(OC)(O)	O(CC[3]O)	O(CC[3]O)(CC3)	126.0160	0.000	1	126.0160	0.000	1	124.4578	2.547	334	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[3]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[3]C[3]N[3]C)(OC)(O)	O(CC[3]O)	O(CC[3]O)(CCHH)	C(C[3]C[3]N[3]C)(OC)(O)	O(CC[3]O)	O(CC[3]O)(CCHH)	126.0953	0.307	3	126.0953	0.094	3	124.4578	2.547	334	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[3]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[3]C[3]N[3]C)(OC)(O)	O(CC[3]O)	O(CC[3]O)(CH3)	C(C[3]C[3]N[3]C)(OC)(O)	O(CC[3]O)	O(CC[3]O)(CH3)	125.0936	0.544	9	125.0936	0.296	9	124.4578	2.547	334	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[3]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[3]C[3]N[3]H)(OC)(O)	O(CC[3]O)	O(CC[3]O)(CC3)	C(C[3]C[3]N[3]H)(OC)(O)	O(CC[3]O)	O(CC[3]O)(CC3)	126.1670	0.956	3	126.1670	0.914	3	124.4578	2.547	334	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[3]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[3]C[3]N[3]H)(OC)(O)	O(CC[3]O)	O(CC[3]O)(CCHH)	C(C[3]C[3]N[3]H)(OC)(O)	O(CC[3]O)	O(CC[3]O)(CCHH)	124.2975	0.651	2	124.2975	0.424	2	124.4578	2.547	334	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[3]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[3]C[3]N[3]H)(OC)(O)	O(CC[3]O)	O(CC[3]O)(CH3)	C(C[3]C[3]N[3]H)(OC)(O)	O(CC[3]O)	O(CC[3]O)(CH3)	124.8753	0.967	3	124.8753	0.935	3	124.4578	2.547	334	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[3]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[3]C[3]O[3]C)(OC)(O)	O(CC[3]O)	O(CC[3]O)(CCHH)	C(C[3]C[3]O[3]C)(OC)(O)	O(CC[3]O)	O(CC[3]O)(CCHH)	126.9860	0.000	1	126.9860	0.000	1	124.4578	2.547	334	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[3]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[3]C[3]O[3]C)(OC)(O)	O(CC[3]O)	O(CC[3]O)(CH3)	C(C[3]C[3]O[3]C)(OC)(O)	O(CC[3]O)	O(CC[3]O)(CH3)	125.7480	0.301	6	125.7480	0.091	6	124.4578	2.547	334	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[3]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[3]C[3]O[3]H)(OC)(O)	O(CC[3]O)	O(CC[3]O)(CC3)	C(C[3]C[3]O[3]H)(OC)(O)	O(CC[3]O)	O(CC[3]O)(CC3)	126.3400	0.000	1	126.3400	0.000	1	124.4578	2.547	334	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[3]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[3]C[3]O[3]H)(OC)(O)	O(CC[3]O)	O(CC[3]O)(CCCH)	C(C[3]C[3]O[3]H)(OC)(O)	O(CC[3]O)	O(CC[3]O)(CCCH)	125.4093	0.366	3	125.4093	0.134	3	124.4578	2.547	334	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[3]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[3]C[3]O[3]H)(OC)(O)	O(CC[3]O)	O(CC[3]O)(CH3)	C(C[3]C[3]O[3]H)(OC)(O)	O(CC[3]O)	O(CC[3]O)(CH3)	125.2763	0.106	4	125.2763	0.011	4	124.4578	2.547	334	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[3]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[3]C[3]O[3]S)(OC)(O)	O(CC[3]O)	O(CC[3]O)(CC3)	C(C[3]C[3]O[3]S)(OC)(O)	O(CC[3]O)	O(CC[3]O)(CC3)	127.7830	0.313	2	127.7830	0.098	2	124.4578	2.547	334	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[3]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[3]C[6a]C[3]2)(OC)(O)	O(CC[3]O)	O(CC[3]O)(CC3)	C(C[3]C[6a]C[3]2)(OC)(O)	O(CC[3]O)	O(CC[3]O)(CC3)	125.0343	1.037	4	125.0343	1.076	4	124.4578	2.547	334	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[3]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[3]C[6a]C[3]2)(OC)(O)	O(CC[3]O)	O(CC[3]O)(CCHH)	C(C[3]C[6a]C[3]2)(OC)(O)	O(CC[3]O)	O(CC[3]O)(CCHH)	123.7673	0.633	6	123.7673	0.401	6	124.4578	2.547	334	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[3]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[3]C[6a]C[3]2)(OC)(O)	O(CC[3]O)	O(CC[3]O)(CH3)	C(C[3]C[6a]C[3]2)(OC)(O)	O(CC[3]O)	O(CC[3]O)(CH3)	123.0918	0.619	14	123.0918	0.383	14	124.4578	2.547	334	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[3]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[3]C[6a]C[3]N[3])(OC)(O)	O(CC[3]O)	O(CC[3]O)(CCHH)	C(C[3]C[6a]C[3]N[3])(OC)(O)	O(CC[3]O)	O(CC[3]O)(CCHH)	125.5130	0.327	2	125.5130	0.107	2	124.4578	2.547	334	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[3]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[3]C[6a]C[3]O[3])(OC)(O)	O(CC[3]O)	O(CC[3]O)(CH3)	C(C[3]C[6a]C[3]O[3])(OC)(O)	O(CC[3]O)	O(CC[3]O)(CH3)	125.1150	0.399	2	125.1150	0.159	2	124.4578	2.547	334	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[3]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[3]C[6a]N[3]2)(OC)(O)	O(CC[3]O)	O(CC[3]O)(CH3)	C(C[3]C[6a]N[3]2)(OC)(O)	O(CC[3]O)	O(CC[3]O)(CH3)	124.7380	0.000	1	124.7380	0.000	1	124.4578	2.547	334	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[3]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[3]N[5a]C[3]N[3])(OC)(O)	O(CC[3]O)	O(CC[3]O)(CH3)	C(C[3]N[5a]C[3]N[3])(OC)(O)	O(CC[3]O)	O(CC[3]O)(CH3)	125.8130	0.000	1	125.8130	0.000	1	124.4578	2.547	334	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[3x4,3x6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[3x4,3x6]C[3x4,3x6]3)(OC)(O)	O(CC[3x4,3x6]O)	O(CC[3x4,3x6]O)(CH3)	C(C[3x4,3x6]C[3x4,3x6]3)(OC)(O)	O(CC[3x4,3x6]O)	O(CC[3x4,3x6]O)(CH3)	123.4001	0.374	17	123.4001	0.140	17	123.4001	0.140	17	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[3x4,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[3x4,6]C[4,4,5,3x6]2C[3x4,6])(OC)(O)	O(CC[3x4,6]O)	O(CC[3x4,6]O)(CH3)	C(C[3x4,6]C[4,4,5,3x6]2C[3x4,6])(OC)(O)	O(CC[3x4,6]O)	O(CC[3x4,6]O)(CH3)	123.2620	0.000	1	123.2620	0.000	1	123.2620	0.000	1	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[3x4]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[3x4]C[4,4]3)(OC)(O)	O(CC[3x4]O)	O(CC[3x4]O)(CH3)	C(C[3x4]C[4,4]3)(OC)(O)	O(CC[3x4]O)	O(CC[3x4]O)(CH3)	125.0774	0.547	7	125.0774	0.299	7	125.0774	0.299	7	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[3x5,3x6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[3x5,3x6]C[3x5,3x6]C[3x5,6,6]C[5,5,6])(OC)(O)	O(CC[3x5,3x6]O)	O(CC[3x5,3x6]O)(CH3)	C(C[3x5,3x6]C[3x5,3x6]C[3x5,6,6]C[5,5,6])(OC)(O)	O(CC[3x5,3x6]O)	O(CC[3x5,3x6]O)(CH3)	123.0925	0.199	2	123.0925	0.039	2	123.0925	0.039	2	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[3x5,6,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[3x5,6,6]C[3x5,6,6]C[5,5,6]2)(OC)(O)	O(CC[3x5,6,6]O)	O(CC[3x5,6,6]O)(CH3)	C(C[3x5,6,6]C[3x5,6,6]C[5,5,6]2)(OC)(O)	O(CC[3x5,6,6]O)	O(CC[3x5,6,6]O)(CH3)	123.5610	0.000	1	123.5610	0.000	1	123.5610	0.000	1	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[3x5,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[3x5,6]C[3,5,5,6]C[4x5]C[5,6])(OC)(O)	O(CC[3x5,6]O)	O(CC[3x5,6]O)(CCHH)	C(C[3x5,6]C[3,5,5,6]C[4x5]C[5,6])(OC)(O)	O(CC[3x5,6]O)	O(CC[3x5,6]O)(CCHH)	123.0720	0.000	1	123.0720	0.000	1	123.8740	0.494	3	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[3x5,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[3x5,6]C[3x5,6,6]C[4,5,5,6]O[5,5])(OC)(O)	O(CC[3x5,6]O)	O(CC[3x5,6]O)(CC[6a]HH)	C(C[3x5,6]C[3x5,6,6]C[4,5,5,6]O[5,5])(OC)(O)	O(CC[3x5,6]O)	O(CC[3x5,6]O)(CC[6a]HH)	124.3830	0.000	1	124.3830	0.000	1	123.8740	0.494	3	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[3x5,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[3x5,6]C[5,5,6,6]C[5,5,6]O[5,5])(OC)(O)	O(CC[3x5,6]O)	O(CC[3x5,6]O)(CH3)	C(C[3x5,6]C[5,5,6,6]C[5,5,6]O[5,5])(OC)(O)	O(CC[3x5,6]O)	O(CC[3x5,6]O)(CH3)	124.1670	0.000	1	124.1670	0.000	1	123.8740	0.494	3	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[3x5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[3x5]C[5,5]3)(OC)(O)	O(CC[3x5]O)	O(CC[3x5]O)(CH3)	C(C[3x5]C[5,5]3)(OC)(O)	O(CC[3x5]O)	O(CC[3x5]O)(CH3)	124.1950	0.000	1	124.1950	0.000	1	124.1950	0.000	1	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[3x6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[3x6]C[3x6]C[6,6]2)(OC)(O)	O(CC[3x6]O)	O(CC[3x6]O)(CH3)	C(C[3x6]C[3x6]C[6,6]2)(OC)(O)	O(CC[3x6]O)	O(CC[3x6]O)(CH3)	123.8620	0.490	3	123.8620	0.240	3	123.3434	0.832	19	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[3x6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[3x6]C[4x6]C[5,6]C[6,6])(OC)(O)	O(CC[3x6]O)	O(CC[3x6]O)(CH3)	C(C[3x6]C[4x6]C[5,6]C[6,6])(OC)(O)	O(CC[3x6]O)	O(CC[3x6]O)(CH3)	124.2640	0.000	1	124.2640	0.000	1	123.3434	0.832	19	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[3x6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[3x6]C[5,6,6]C[6,6]2)(OC)(O)	O(CC[3x6]O)	O(CC[3x6]O)(CH3)	C(C[3x6]C[5,6,6]C[6,6]2)(OC)(O)	O(CC[3x6]O)	O(CC[3x6]O)(CH3)	123.5070	0.000	1	123.5070	0.000	1	123.3434	0.832	19	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[3x6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[3x6]C[6,6,6a]2C[5,6,6])(OC)(O)	O(CC[3x6]O)	O(CC[3x6]O)(CH3)	C(C[3x6]C[6,6,6a]2C[5,6,6])(OC)(O)	O(CC[3x6]O)	O(CC[3x6]O)(CH3)	124.1750	0.000	1	124.1750	0.000	1	123.3434	0.832	19	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[3x6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[3x6]C[6,6,6a]3)(OC)(O)	O(CC[3x6]O)	O(CC[3x6]O)(CH3)	C(C[3x6]C[6,6,6a]3)(OC)(O)	O(CC[3x6]O)	O(CC[3x6]O)(CH3)	123.4575	0.040	2	123.4575	0.002	2	123.3434	0.832	19	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[3x6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[3x6]C[6,6]3)(OC)(O)	O(CC[3x6]O)	O(CC[3x6]O)(CCHH)	C(C[3x6]C[6,6]3)(OC)(O)	O(CC[3x6]O)	O(CC[3x6]O)(CCHH)	123.7670	0.000	1	123.7670	0.000	1	123.3434	0.832	19	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[3x6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[3x6]C[6,6]3)(OC)(O)	O(CC[3x6]O)	O(CC[3x6]O)(CH3)	C(C[3x6]C[6,6]3)(OC)(O)	O(CC[3x6]O)	O(CC[3x6]O)(CH3)	122.9310	1.065	10	122.9310	1.135	10	123.3434	0.832	19	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[4,4,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[4,4,6]C[4,4,6]2C[4,6])(OC)(O)	O(CC[4,4,6]O)	O(CC[4,4,6]O)(CCCH)	C(C[4,4,6]C[4,4,6]2C[4,6])(OC)(O)	O(CC[4,4,6]O)	O(CC[4,4,6]O)(CCCH)	124.2750	0.400	4	124.2750	0.160	4	124.1110	0.178	7	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[4,4,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[4,4,6]C[4,4,6]2C[4,6])(OC)(O)	O(CC[4,4,6]O)	O(CC[4,4,6]O)(CH3)	C(C[4,4,6]C[4,4,6]2C[4,6])(OC)(O)	O(CC[4,4,6]O)	O(CC[4,4,6]O)(CH3)	123.8923	0.410	3	123.8923	0.168	3	124.1110	0.178	7	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[4,4]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[4,4]C[3x4]2H)(OC)(O)	O(CC[4,4]O)	O(CC[4,4]O)(CH3)	C(C[4,4]C[3x4]2H)(OC)(O)	O(CC[4,4]O)	O(CC[4,4]O)(CH3)	124.2717	0.253	10	124.2717	0.064	10	124.2412	0.099	12	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[4,4]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[4,4]C[4,4]C[4]2)(OC)(O)	O(CC[4,4]O)	O(CC[4,4]O)(CH3)	C(C[4,4]C[4,4]C[4]2)(OC)(O)	O(CC[4,4]O)	O(CC[4,4]O)(CH3)	124.0890	0.679	2	124.0890	0.461	2	124.2412	0.099	12	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[4,5,5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[4,5,5]C[4,5]2N[5,5])(OC)(O)	O(CC[4,5,5]O)	O(CC[4,5,5]O)(CH3)	C(C[4,5,5]C[4,5]2N[5,5])(OC)(O)	O(CC[4,5,5]O)	O(CC[4,5,5]O)(CH3)	124.8423	0.199	3	124.8423	0.039	3	124.8423	0.039	3	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[4,5,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[4,5,6]C[4,5,6,6]C[4,3x6]C[5])(OC)(O)	O(CC[4,5,6]O)	O(CC[4,5,6]O)(CH3)	C(C[4,5,6]C[4,5,6,6]C[4,3x6]C[5])(OC)(O)	O(CC[4,5,6]O)	O(CC[4,5,6]O)(CH3)	123.8170	0.000	1	123.8170	0.000	1	123.8154	2.008	7	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[4,5,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[4,5,6]C[4,5,6]2C[5,5,6])(OC)(O)	O(CC[4,5,6]O)	O(CC[4,5,6]O)(CH3)	C(C[4,5,6]C[4,5,6]2C[5,5,6])(OC)(O)	O(CC[4,5,6]O)	O(CC[4,5,6]O)(CH3)	122.2255	0.600	2	122.2255	0.360	2	123.8154	2.008	7	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[4,5,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[4,5,6]C[4,5,6]C[5,5,6]C[4,5])(OC)(O)	O(CC[4,5,6]O)	O(CC[4,5,6]O)(CCHH)	C(C[4,5,6]C[4,5,6]C[5,5,6]C[4,5])(OC)(O)	O(CC[4,5,6]O)	O(CC[4,5,6]O)(CCHH)	125.4100	1.072	2	125.4100	1.149	2	123.8154	2.008	7	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[4,5,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[4,5,6]C[4,5]C[4,6]C[5,6])(OC)(O)	O(CC[4,5,6]O)	O(CC[4,5,6]O)(CH3)	C(C[4,5,6]C[4,5]C[4,6]C[5,6])(OC)(O)	O(CC[4,5,6]O)	O(CC[4,5,6]O)(CH3)	123.8100	0.629	2	123.8100	0.396	2	123.8154	2.008	7	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[4,5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[4,5]C[4,5,5]2H)(OC)(O)	O(CC[4,5]O)	O(CC[4,5]O)(CH3)	C(C[4,5]C[4,5,5]2H)(OC)(O)	O(CC[4,5]O)	O(CC[4,5]O)(CH3)	124.2650	0.000	1	124.2650	0.000	1	124.7149	1.522	10	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[4,5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[4,5]C[4,5]2C[5])(OC)(O)	O(CC[4,5]O)	O(CC[4,5]O)(CH3)	C(C[4,5]C[4,5]2C[5])(OC)(O)	O(CC[4,5]O)	O(CC[4,5]O)(CH3)	122.8410	0.000	1	122.8410	0.000	1	124.7149	1.522	10	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[4,5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[4,5]C[4,5]C[4,6]C[5,5])(OC)(O)	O(CC[4,5]O)	O(CC[4,5]O)(CH3)	C(C[4,5]C[4,5]C[4,6]C[5,5])(OC)(O)	O(CC[4,5]O)	O(CC[4,5]O)(CH3)	123.9410	0.000	1	123.9410	0.000	1	124.7149	1.522	10	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[4,5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[4,5]C[4,5]C[4]C[5])(OC)(O)	O(CC[4,5]O)	O(CC[4,5]O)(CH3)	C(C[4,5]C[4,5]C[4]C[5])(OC)(O)	O(CC[4,5]O)	O(CC[4,5]O)(CH3)	124.5990	0.000	1	124.5990	0.000	1	124.7149	1.522	10	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[4,5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[4,5]C[4,5]C[4]N[5])(OC)(O)	O(CC[4,5]O)	O(CC[4,5]O)(CCHH)	C(C[4,5]C[4,5]C[4]N[5])(OC)(O)	O(CC[4,5]O)	O(CC[4,5]O)(CCHH)	123.6180	0.000	1	123.6180	0.000	1	124.7149	1.522	10	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[4,5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[4,5]C[4,5]C[5]N[4])(OC)(O)	O(CC[4,5]O)	O(CC[4,5]O)(CH3)	C(C[4,5]C[4,5]C[5]N[4])(OC)(O)	O(CC[4,5]O)	O(CC[4,5]O)(CH3)	125.1490	0.883	3	125.1490	0.780	3	124.7149	1.522	10	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[4,5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[4,5]C[5,6a]N[4,5]C[4])(OC)(O)	O(CC[4,5]O)	O(CC[4,5]O)(CCHH)	C(C[4,5]C[5,6a]N[4,5]C[4])(OC)(O)	O(CC[4,5]O)	O(CC[4,5]O)(CCHH)	125.3490	0.000	1	125.3490	0.000	1	124.7149	1.522	10	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[4,5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[4,5]N[4,5]C[4]C[5])(OC)(O)	O(CC[4,5]O)	O(CC[4,5]O)(CCHH)	C(C[4,5]N[4,5]C[4]C[5])(OC)(O)	O(CC[4,5]O)	O(CC[4,5]O)(CCHH)	127.0890	0.000	1	127.0890	0.000	1	124.7149	1.522	10	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[4,6,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[4,6,6]C[4,6,6]2C[6,6])(OC)(O)	O(CC[4,6,6]O)	O(CC[4,6,6]O)(CCHH)	C(C[4,6,6]C[4,6,6]2C[6,6])(OC)(O)	O(CC[4,6,6]O)	O(CC[4,6,6]O)(CCHH)	123.8535	0.895	10	123.8535	0.800	10	123.8535	0.800	10	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[4,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[4,6]C[4,5]C[4,6]C[6])(OC)(O)	O(CC[4,6]O)	O(CC[4,6]O)(CH3)	C(C[4,6]C[4,5]C[4,6]C[6])(OC)(O)	O(CC[4,6]O)	O(CC[4,6]O)(CH3)	124.9690	0.000	1	124.9690	0.000	1	124.2230	1.777	8	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[4,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[4,6]C[4,6]2O[6])(OC)(O)	O(CC[4,6]O)	O(CC[4,6]O)(CCHH)	C(C[4,6]C[4,6]2O[6])(OC)(O)	O(CC[4,6]O)	O(CC[4,6]O)(CCHH)	125.4830	0.000	1	125.4830	0.000	1	124.2230	1.777	8	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[4,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[4,6]C[4,6]2O[6])(OC)(O)	O(CC[4,6]O)	O(CC[4,6]O)(CH3)	C(C[4,6]C[4,6]2O[6])(OC)(O)	O(CC[4,6]O)	O(CC[4,6]O)(CH3)	125.4180	0.126	2	125.4180	0.016	2	124.2230	1.777	8	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[4,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[4,6]C[4,6]C[4]C[6])(OC)(O)	O(CC[4,6]O)	O(CC[4,6]O)(CCHH)	C(C[4,6]C[4,6]C[4]C[6])(OC)(O)	O(CC[4,6]O)	O(CC[4,6]O)(CCHH)	123.1240	0.929	4	123.1240	0.863	4	124.2230	1.777	8	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[4]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[4]C[3,4]C[4,5]H)(OC)(O)	O(CC[4]O)	O(CC[4]O)(CCHH)	C(C[4]C[3,4]C[4,5]H)(OC)(O)	O(CC[4]O)	O(CC[4]O)(CCHH)	123.7870	0.000	1	123.7870	0.000	1	124.5174	1.471	111	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[4]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[4]C[4,4]C[4,5]H)(OC)(O)	O(CC[4]O)	O(CC[4]O)(CH3)	C(C[4]C[4,4]C[4,5]H)(OC)(O)	O(CC[4]O)	O(CC[4]O)(CH3)	123.4750	0.000	1	123.4750	0.000	1	124.5174	1.471	111	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[4]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[4]C[4,5,6]C[4]H)(OC)(O)	O(CC[4]O)	O(CC[4]O)(CH3)	C(C[4]C[4,5,6]C[4]H)(OC)(O)	O(CC[4]O)	O(CC[4]O)(CH3)	124.4000	0.000	1	124.4000	0.000	1	124.5174	1.471	111	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[4]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[4]C[4,5]C[4]C)(OC)(O)	O(CC[4]O)	O(CC[4]O)(CH3)	C(C[4]C[4,5]C[4]C)(OC)(O)	O(CC[4]O)	O(CC[4]O)(CH3)	124.1457	0.473	6	124.1457	0.224	6	124.5174	1.471	111	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[4]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[4]C[4,5]C[4]F)(OC)(O)	O(CC[4]O)	O(CC[4]O)(CH3)	C(C[4]C[4,5]C[4]F)(OC)(O)	O(CC[4]O)	O(CC[4]O)(CH3)	126.1810	0.000	1	126.1810	0.000	1	124.5174	1.471	111	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[4]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[4]C[4,5]C[4]H)(OC)(O)	O(CC[4]O)	O(CC[4]O)(CH3)	C(C[4]C[4,5]C[4]H)(OC)(O)	O(CC[4]O)	O(CC[4]O)(CH3)	124.2335	0.711	2	124.2335	0.505	2	124.5174	1.471	111	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[4]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[4]C[4,5]C[4]N)(OC)(O)	O(CC[4]O)	O(CC[4]O)(CH3)	C(C[4]C[4,5]C[4]N)(OC)(O)	O(CC[4]O)	O(CC[4]O)(CH3)	124.2495	0.153	2	124.2495	0.024	2	124.5174	1.471	111	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[4]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[4]C[4,5]N[4]C)(OC)(O)	O(CC[4]O)	O(CC[4]O)(CH3)	C(C[4]C[4,5]N[4]C)(OC)(O)	O(CC[4]O)	O(CC[4]O)(CH3)	126.0982	0.292	4	126.0982	0.085	4	124.5174	1.471	111	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[4]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[4]C[4,6]C[4]Br)(OC)(O)	O(CC[4]O)	O(CC[4]O)(CH3)	C(C[4]C[4,6]C[4]Br)(OC)(O)	O(CC[4]O)	O(CC[4]O)(CH3)	124.7835	0.909	2	124.7835	0.826	2	124.5174	1.471	111	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[4]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[4]C[4,6]C[4]C)(OC)(O)	O(CC[4]O)	O(CC[4]O)(CH3)	C(C[4]C[4,6]C[4]C)(OC)(O)	O(CC[4]O)	O(CC[4]O)(CH3)	125.1210	0.000	1	125.1210	0.000	1	124.5174	1.471	111	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[4]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[4]C[4,6]C[4]H)(OC)(O)	O(CC[4]O)	O(CC[4]O)(CCHH)	C(C[4]C[4,6]C[4]H)(OC)(O)	O(CC[4]O)	O(CC[4]O)(CCHH)	124.9950	0.000	1	124.9950	0.000	1	124.5174	1.471	111	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[4]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[4]C[4,6]C[4]H)(OC)(O)	O(CC[4]O)	O(CC[4]O)(CH3)	C(C[4]C[4,6]C[4]H)(OC)(O)	O(CC[4]O)	O(CC[4]O)(CH3)	123.7702	0.718	6	123.7702	0.516	6	124.5174	1.471	111	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[4]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[4]C[4,6]C[6a]C[4])(OC)(O)	O(CC[4]O)	O(CC[4]O)(CCHH)	C(C[4]C[4,6]C[6a]C[4])(OC)(O)	O(CC[4]O)	O(CC[4]O)(CCHH)	125.0940	0.000	1	125.0940	0.000	1	124.5174	1.471	111	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[4]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[4]C[4,6]N[4]H)(OC)(O)	O(CC[4]O)	O(CC[4]O)(CC3)	C(C[4]C[4,6]N[4]H)(OC)(O)	O(CC[4]O)	O(CC[4]O)(CC3)	126.6970	0.000	1	126.6970	0.000	1	124.5174	1.471	111	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[4]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[4]C[4,6]O[4]H)(OC)(O)	O(CC[4]O)	O(CC[4]O)(CCHH)	C(C[4]C[4,6]O[4]H)(OC)(O)	O(CC[4]O)	O(CC[4]O)(CCHH)	126.0820	0.133	2	126.0820	0.018	2	124.5174	1.471	111	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[4]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[4]C[4,6a]C[4]C)(OC)(O)	O(CC[4]O)	O(CC[4]O)(CH3)	C(C[4]C[4,6a]C[4]C)(OC)(O)	O(CC[4]O)	O(CC[4]O)(CH3)	123.9410	0.030	2	123.9410	0.001	2	124.5174	1.471	111	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[4]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[4]C[4]2C)(OC)(O)	O(CC[4]O)	O(CC[4]O)(CC3)	C(C[4]C[4]2C)(OC)(O)	O(CC[4]O)	O(CC[4]O)(CC3)	125.8903	0.324	4	125.8903	0.105	4	124.5174	1.471	111	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[4]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[4]C[4]2C)(OC)(O)	O(CC[4]O)	O(CC[4]O)(CH3)	C(C[4]C[4]2C)(OC)(O)	O(CC[4]O)	O(CC[4]O)(CH3)	124.7524	1.604	12	124.7524	2.573	12	124.5174	1.471	111	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[4]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[4]C[4]2H)(OC)(O)	O(CC[4]O)	O(CC[4]O)(CCCH)	C(C[4]C[4]2H)(OC)(O)	O(CC[4]O)	O(CC[4]O)(CCCH)	122.3650	0.000	1	122.3650	0.000	1	124.5174	1.471	111	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[4]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[4]C[4]2H)(OC)(O)	O(CC[4]O)	O(CC[4]O)(CCHH)	C(C[4]C[4]2H)(OC)(O)	O(CC[4]O)	O(CC[4]O)(CCHH)	124.2700	0.074	2	124.2700	0.005	2	124.5174	1.471	111	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[4]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[4]C[4]2H)(OC)(O)	O(CC[4]O)	O(CC[4]O)(CH3)	C(C[4]C[4]2H)(OC)(O)	O(CC[4]O)	O(CC[4]O)(CH3)	123.8371	0.639	29	123.8371	0.408	29	124.5174	1.471	111	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[4]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[4]C[4]2N)(OC)(O)	O(CC[4]O)	O(CC[4]O)(CH3)	C(C[4]C[4]2N)(OC)(O)	O(CC[4]O)	O(CC[4]O)(CH3)	123.2230	0.358	5	123.2230	0.128	5	124.5174	1.471	111	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[4]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[4]C[4]2S)(OC)(O)	O(CC[4]O)	O(CC[4]O)(CCHH)	C(C[4]C[4]2S)(OC)(O)	O(CC[4]O)	O(CC[4]O)(CCHH)	125.3520	0.000	1	125.3520	0.000	1	124.5174	1.471	111	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[4]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[4]C[4]N[4]C)(OC)(O)	O(CC[4]O)	O(CC[4]O)(CCHH)	C(C[4]C[4]N[4]C)(OC)(O)	O(CC[4]O)	O(CC[4]O)(CCHH)	125.3030	0.539	6	125.3030	0.291	6	124.5174	1.471	111	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[4]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[4]C[4]N[4]C)(OC)(O)	O(CC[4]O)	O(CC[4]O)(CH3)	C(C[4]C[4]N[4]C)(OC)(O)	O(CC[4]O)	O(CC[4]O)(CH3)	125.1932	0.656	5	125.1932	0.431	5	124.5174	1.471	111	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[4]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[4]C[4]N[4]H)(OC)(O)	O(CC[4]O)	O(CC[4]O)(CC3)	C(C[4]C[4]N[4]H)(OC)(O)	O(CC[4]O)	O(CC[4]O)(CC3)	127.3780	0.679	3	127.3780	0.460	3	124.5174	1.471	111	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[4]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[4]C[4]N[4]H)(OC)(O)	O(CC[4]O)	O(CC[4]O)(CH3)	C(C[4]C[4]N[4]H)(OC)(O)	O(CC[4]O)	O(CC[4]O)(CH3)	125.6420	0.000	1	125.6420	0.000	1	124.5174	1.471	111	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[4]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[4]C[4]N[4]P)(OC)(O)	O(CC[4]O)	O(CC[4]O)(CH3)	C(C[4]C[4]N[4]P)(OC)(O)	O(CC[4]O)	O(CC[4]O)(CH3)	125.8130	0.000	1	125.8130	0.000	1	124.5174	1.471	111	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[4]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[4]C[4]O[4]C)(OC)(O)	O(CC[4]O)	O(CC[4]O)(CCHH)	C(C[4]C[4]O[4]C)(OC)(O)	O(CC[4]O)	O(CC[4]O)(CCHH)	125.6890	0.000	1	125.6890	0.000	1	124.5174	1.471	111	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[4]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[4]C[4]O[4]H)(OC)(O)	O(CC[4]O)	O(CC[4]O)(CH3)	C(C[4]C[4]O[4]H)(OC)(O)	O(CC[4]O)	O(CC[4]O)(CH3)	124.8250	0.000	1	124.8250	0.000	1	124.5174	1.471	111	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[4]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[4]C[6a]C[4]2)(OC)(O)	O(CC[4]O)	O(CC[4]O)(CH3)	C(C[4]C[6a]C[4]2)(OC)(O)	O(CC[4]O)	O(CC[4]O)(CH3)	123.1437	1.100	4	123.1437	1.210	4	124.5174	1.471	111	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[4]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[4]C[6a]C[4]N[4])(OC)(O)	O(CC[4]O)	O(CC[4]O)(CH3)	C(C[4]C[6a]C[4]N[4])(OC)(O)	O(CC[4]O)	O(CC[4]O)(CH3)	124.5130	0.000	1	124.5130	0.000	1	124.5174	1.471	111	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[4x5,6,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[4x5,6,6]C[4,3x5,6]C[4x5,6,6]C[5,5,6])(OC)(O)	O(CC[4x5,6,6]O)	O(CC[4x5,6,6]O)(CH3)	C(C[4x5,6,6]C[4,3x5,6]C[4x5,6,6]C[5,5,6])(OC)(O)	O(CC[4x5,6,6]O)	O(CC[4x5,6,6]O)(CH3)	123.2440	0.000	1	123.2440	0.000	1	123.2440	0.000	1	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,3x6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,3x6]C[5,5,6,6]C[5,6,6]C[6,6])(OC)(O)	O(CC[5,3x6]O)	O(CC[5,3x6]O)(CH3)	C(C[5,3x6]C[5,5,6,6]C[5,6,6]C[6,6])(OC)(O)	O(CC[5,3x6]O)	O(CC[5,3x6]O)(CH3)	124.3640	0.000	1	124.3640	0.000	1	124.3640	0.000	1	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,5,3x6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,5,3x6]C[5,5,6,6]3)(OC)(O)	O(CC[5,5,3x6]O)	O(CC[5,5,3x6]O)(CH3)	C(C[5,5,3x6]C[5,5,6,6]3)(OC)(O)	O(CC[5,5,3x6]O)	O(CC[5,5,3x6]O)(CH3)	123.8833	0.445	3	123.8833	0.198	3	123.8833	0.198	3	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,5,6,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,5,6,6]C[5,5,3x6]C[5,5,6]2)(OC)(O)	O(CC[5,5,6,6]O)	O(CC[5,5,6,6]O)(CH3)	C(C[5,5,6,6]C[5,5,3x6]C[5,5,6]2)(OC)(O)	O(CC[5,5,6,6]O)	O(CC[5,5,6,6]O)(CH3)	123.4517	0.596	3	123.4517	0.355	3	122.9987	1.014	11	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,5,6,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,5,6,6]C[5,5,6,6]C[5,5,6]2)(OC)(O)	O(CC[5,5,6,6]O)	O(CC[5,5,6,6]O)(CCHH)	C(C[5,5,6,6]C[5,5,6,6]C[5,5,6]2)(OC)(O)	O(CC[5,5,6,6]O)	O(CC[5,5,6,6]O)(CCHH)	122.9150	0.000	1	122.9150	0.000	1	122.9987	1.014	11	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,5,6,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,5,6,6]C[5,5,6,6]C[5,5,6]2)(OC)(O)	O(CC[5,5,6,6]O)	O(CC[5,5,6,6]O)(CH3)	C(C[5,5,6,6]C[5,5,6,6]C[5,5,6]2)(OC)(O)	O(CC[5,5,6,6]O)	O(CC[5,5,6,6]O)(CH3)	122.8747	1.299	6	122.8747	1.687	6	122.9987	1.014	11	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,5,6,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,5,6,6]C[5,5,6]C[5,6,6]C[5,6])(OC)(O)	O(CC[5,5,6,6]O)	O(CC[5,5,6,6]O)(CCHH)	C(C[5,5,6,6]C[5,5,6]C[5,6,6]C[5,6])(OC)(O)	O(CC[5,5,6,6]O)	O(CC[5,5,6,6]O)(CCHH)	122.4680	0.000	1	122.4680	0.000	1	122.9987	1.014	11	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,5,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,5,6]C[3,5,6]C[5,6]O[5,5])(OC)(O)	O(CC[5,5,6]O)	O(CC[5,5,6]O)(CH3)	C(C[5,5,6]C[3,5,6]C[5,6]O[5,5])(OC)(O)	O(CC[5,5,6]O)	O(CC[5,5,6]O)(CH3)	126.0245	0.483	2	126.0245	0.233	2	125.1026	1.008	78	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,5,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,5,6]C[3x5,3x6]C[3x5,6,6]H)(OC)(O)	O(CC[5,5,6]O)	O(CC[5,5,6]O)(CH3)	C(C[5,5,6]C[3x5,3x6]C[3x5,6,6]H)(OC)(O)	O(CC[5,5,6]O)	O(CC[5,5,6]O)(CH3)	123.1860	0.641	2	123.1860	0.410	2	125.1026	1.008	78	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,5,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,5,6]C[3x5,6,6]C[4x5,6,6]H)(OC)(O)	O(CC[5,5,6]O)	O(CC[5,5,6]O)(CH3)	C(C[5,5,6]C[3x5,6,6]C[4x5,6,6]H)(OC)(O)	O(CC[5,5,6]O)	O(CC[5,5,6]O)(CH3)	123.8030	0.000	1	123.8030	0.000	1	125.1026	1.008	78	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,5,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,5,6]C[3x5,6]C[5,6]C[5])(OC)(O)	O(CC[5,5,6]O)	O(CC[5,5,6]O)(CC[6a]HH)	C(C[5,5,6]C[3x5,6]C[5,6]C[5])(OC)(O)	O(CC[5,5,6]O)	O(CC[5,5,6]O)(CC[6a]HH)	123.4430	0.000	1	123.4430	0.000	1	125.1026	1.008	78	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,5,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,5,6]C[3x5,6]C[5,6]C[5])(OC)(O)	O(CC[5,5,6]O)	O(CC[5,5,6]O)(CH3)	C(C[5,5,6]C[3x5,6]C[5,6]C[5])(OC)(O)	O(CC[5,5,6]O)	O(CC[5,5,6]O)(CH3)	123.4720	0.000	1	123.4720	0.000	1	125.1026	1.008	78	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,5,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,5,6]C[4,5,5,6]C[3x5,6]H)(OC)(O)	O(CC[5,5,6]O)	O(CC[5,5,6]O)(CCHH)	C(C[5,5,6]C[4,5,5,6]C[3x5,6]H)(OC)(O)	O(CC[5,5,6]O)	O(CC[5,5,6]O)(CCHH)	124.6910	0.000	1	124.6910	0.000	1	125.1026	1.008	78	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,5,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,5,6]C[4,5,6]C[5,6]O[5,5])(OC)(O)	O(CC[5,5,6]O)	O(CC[5,5,6]O)(CH3)	C(C[5,5,6]C[4,5,6]C[5,6]O[5,5])(OC)(O)	O(CC[5,5,6]O)	O(CC[5,5,6]O)(CH3)	125.5140	0.000	1	125.5140	0.000	1	125.1026	1.008	78	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,5,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,5,6]C[5,5,6]2O[5])(OC)(O)	O(CC[5,5,6]O)	O(CC[5,5,6]O)(CH3)	C(C[5,5,6]C[5,5,6]2O[5])(OC)(O)	O(CC[5,5,6]O)	O(CC[5,5,6]O)(CH3)	123.9720	0.000	1	123.9720	0.000	1	125.1026	1.008	78	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,5,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(OC)(O)	O(CC[5,5,6]O)	O(CC[5,5,6]O)(CCHH)	C(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(OC)(O)	O(CC[5,5,6]O)	O(CC[5,5,6]O)(CCHH)	125.6100	0.116	2	125.6100	0.013	2	125.1026	1.008	78	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,5,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(OC)(O)	O(CC[5,5,6]O)	O(CC[5,5,6]O)(CH3)	C(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(OC)(O)	O(CC[5,5,6]O)	O(CC[5,5,6]O)(CH3)	124.6906	1.069	14	124.6906	1.142	14	125.1026	1.008	78	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,5,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,5,6]C[5,5,6]N[5,6]2)(OC)(O)	O(CC[5,5,6]O)	O(CC[5,5,6]O)(CCHH)	C(C[5,5,6]C[5,5,6]N[5,6]2)(OC)(O)	O(CC[5,5,6]O)	O(CC[5,5,6]O)(CCHH)	126.2589	0.496	10	126.2589	0.246	10	125.1026	1.008	78	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,5,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,5,6]C[5,5,6]N[5,6]2)(OC)(O)	O(CC[5,5,6]O)	O(CC[5,5,6]O)(CH3)	C(C[5,5,6]C[5,5,6]N[5,6]2)(OC)(O)	O(CC[5,5,6]O)	O(CC[5,5,6]O)(CH3)	126.0210	0.007	2	126.0210	0.000	2	125.1026	1.008	78	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,5,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,5,6]C[5,5]C[5,6]2)(OC)(O)	O(CC[5,5,6]O)	O(CC[5,5,6]O)(CH3)	C(C[5,5,6]C[5,5]C[5,6]2)(OC)(O)	O(CC[5,5,6]O)	O(CC[5,5,6]O)(CH3)	124.4760	0.559	4	124.4760	0.313	4	125.1026	1.008	78	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,5,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC)(O)	O(CC[5,5,6]O)	O(CC[5,5,6]O)(CCCH)	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC)(O)	O(CC[5,5,6]O)	O(CC[5,5,6]O)(CCCH)	124.8729	0.704	8	124.8729	0.496	8	125.1026	1.008	78	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,5,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC)(O)	O(CC[5,5,6]O)	O(CC[5,5,6]O)(CCHH)	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC)(O)	O(CC[5,5,6]O)	O(CC[5,5,6]O)(CCHH)	124.8667	0.853	3	124.8667	0.728	3	125.1026	1.008	78	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,5,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC)(O)	O(CC[5,5,6]O)	O(CC[5,5,6]O)(CC[3,6]CH)	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC)(O)	O(CC[5,5,6]O)	O(CC[5,5,6]O)(CC[3,6]CH)	125.9840	0.000	1	125.9840	0.000	1	125.1026	1.008	78	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,5,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC)(O)	O(CC[5,5,6]O)	O(CC[5,5,6]O)(CC[3]CH)	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC)(O)	O(CC[5,5,6]O)	O(CC[5,5,6]O)(CC[3]CH)	124.9777	0.361	3	124.9777	0.130	3	125.1026	1.008	78	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,5,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC)(O)	O(CC[5,5,6]O)	O(CC[5,5,6]O)(CC[5]HH)	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC)(O)	O(CC[5,5,6]O)	O(CC[5,5,6]O)(CC[5]HH)	124.3062	1.035	4	124.3062	1.071	4	125.1026	1.008	78	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,5,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC)(O)	O(CC[5,5,6]O)	O(CC[5,5,6]O)(CC[6]CH)	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC)(O)	O(CC[5,5,6]O)	O(CC[5,5,6]O)(CC[6]CH)	124.5090	0.000	1	124.5090	0.000	1	125.1026	1.008	78	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,5,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC)(O)	O(CC[5,5,6]O)	O(CC[5,5,6]O)(CC[6]HH)	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC)(O)	O(CC[5,5,6]O)	O(CC[5,5,6]O)(CC[6]HH)	125.6160	0.674	3	125.6160	0.454	3	125.1026	1.008	78	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,5,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC)(O)	O(CC[5,5,6]O)	O(CC[5,5,6]O)(CC[6a]2H)	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC)(O)	O(CC[5,5,6]O)	O(CC[5,5,6]O)(CC[6a]2H)	125.0200	0.000	1	125.0200	0.000	1	125.1026	1.008	78	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,5,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC)(O)	O(CC[5,5,6]O)	O(CC[5,5,6]O)(CC[6a]CH)	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC)(O)	O(CC[5,5,6]O)	O(CC[5,5,6]O)(CC[6a]CH)	125.1320	0.119	3	125.1320	0.014	3	125.1026	1.008	78	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,5,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC)(O)	O(CC[5,5,6]O)	O(CC[5,5,6]O)(CC[6a]HH)	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC)(O)	O(CC[5,5,6]O)	O(CC[5,5,6]O)(CC[6a]HH)	125.0675	0.442	2	125.0675	0.195	2	125.1026	1.008	78	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,5,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,5,6]C[5,5]N[5,6]2)(OC)(O)	O(CC[5,5,6]O)	O(CC[5,5,6]O)(CCHH)	C(C[5,5,6]C[5,5]N[5,6]2)(OC)(O)	O(CC[5,5,6]O)	O(CC[5,5,6]O)(CCHH)	126.1817	0.262	3	126.1817	0.069	3	125.1026	1.008	78	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,5,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,5,6]C[5,6]2N[5,5])(OC)(O)	O(CC[5,5,6]O)	O(CC[5,5,6]O)(CH3)	C(C[5,5,6]C[5,6]2N[5,5])(OC)(O)	O(CC[5,5,6]O)	O(CC[5,5,6]O)(CH3)	124.7010	0.000	1	124.7010	0.000	1	125.1026	1.008	78	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,5,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,5,6]C[5,6]2O[5,5])(OC)(O)	O(CC[5,5,6]O)	O(CC[5,5,6]O)(CCHH)	C(C[5,5,6]C[5,6]2O[5,5])(OC)(O)	O(CC[5,5,6]O)	O(CC[5,5,6]O)(CCHH)	125.9090	0.000	1	125.9090	0.000	1	125.1026	1.008	78	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,5,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,5,6]C[5,6]2O[5,5])(OC)(O)	O(CC[5,5,6]O)	O(CC[5,5,6]O)(CH3)	C(C[5,5,6]C[5,6]2O[5,5])(OC)(O)	O(CC[5,5,6]O)	O(CC[5,5,6]O)(CH3)	126.2390	0.204	2	126.2390	0.041	2	125.1026	1.008	78	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,5]C[3,5,5]C[5,6a]C[5])(OC)(O)	O(CC[5,5]O)	O(CC[5,5]O)(CH3)	C(C[5,5]C[3,5,5]C[5,6a]C[5])(OC)(O)	O(CC[5,5]O)	O(CC[5,5]O)(CH3)	124.4110	0.000	1	124.4110	0.000	1	124.8735	1.373	156	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,5]C[3x5,6]C[5]N[5])(OC)(O)	O(CC[5,5]O)	O(CC[5,5]O)(CCHH)	C(C[5,5]C[3x5,6]C[5]N[5])(OC)(O)	O(CC[5,5]O)	O(CC[5,5]O)(CCHH)	126.1380	0.000	1	126.1380	0.000	1	124.8735	1.373	156	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,5]C[3x5]C[5]2)(OC)(O)	O(CC[5,5]O)	O(CC[5,5]O)(CH3)	C(C[5,5]C[3x5]C[5]2)(OC)(O)	O(CC[5,5]O)	O(CC[5,5]O)(CH3)	123.4527	0.456	6	123.4527	0.208	6	124.8735	1.373	156	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,5]C[4x5]C[5]2)(OC)(O)	O(CC[5,5]O)	O(CC[5,5]O)(CCHH)	C(C[5,5]C[4x5]C[5]2)(OC)(O)	O(CC[5,5]O)	O(CC[5,5]O)(CCHH)	123.2670	0.000	1	123.2670	0.000	1	124.8735	1.373	156	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,5]C[5,5,6]C[5]N[5])(OC)(O)	O(CC[5,5]O)	O(CC[5,5]O)(CH3)	C(C[5,5]C[5,5,6]C[5]N[5])(OC)(O)	O(CC[5,5]O)	O(CC[5,5]O)(CH3)	125.3160	0.173	4	125.3160	0.030	4	124.8735	1.373	156	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,5]C[5,5,6]N[5]2)(OC)(O)	O(CC[5,5]O)	O(CC[5,5]O)(CCHH)	C(C[5,5]C[5,5,6]N[5]2)(OC)(O)	O(CC[5,5]O)	O(CC[5,5]O)(CCHH)	126.3757	0.263	3	126.3757	0.069	3	124.8735	1.373	156	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,5]C[5,5]2N[5,5])(OC)(O)	O(CC[5,5]O)	O(CC[5,5]O)(CH3)	C(C[5,5]C[5,5]2N[5,5])(OC)(O)	O(CC[5,5]O)	O(CC[5,5]O)(CH3)	125.1283	0.590	3	125.1283	0.348	3	124.8735	1.373	156	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,5]C[5,5]C[5]2)(OC)(O)	O(CC[5,5]O)	O(CC[5,5]O)(CC3)	C(C[5,5]C[5,5]C[5]2)(OC)(O)	O(CC[5,5]O)	O(CC[5,5]O)(CC3)	125.1476	1.046	5	125.1476	1.095	5	124.8735	1.373	156	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,5]C[5,5]C[5]2)(OC)(O)	O(CC[5,5]O)	O(CC[5,5]O)(CCHH)	C(C[5,5]C[5,5]C[5]2)(OC)(O)	O(CC[5,5]O)	O(CC[5,5]O)(CCHH)	124.4953	0.661	7	124.4953	0.437	7	124.8735	1.373	156	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,5]C[5,5]C[5]2)(OC)(O)	O(CC[5,5]O)	O(CC[5,5]O)(CH3)	C(C[5,5]C[5,5]C[5]2)(OC)(O)	O(CC[5,5]O)	O(CC[5,5]O)(CH3)	122.9372	0.854	13	122.9372	0.729	13	124.8735	1.373	156	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,5]C[5,5]C[5]N[5])(OC)(O)	O(CC[5,5]O)	O(CC[5,5]O)(CC3)	C(C[5,5]C[5,5]C[5]N[5])(OC)(O)	O(CC[5,5]O)	O(CC[5,5]O)(CC3)	125.9430	0.000	1	125.9430	0.000	1	124.8735	1.373	156	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,5]C[5,5]C[5]N[5])(OC)(O)	O(CC[5,5]O)	O(CC[5,5]O)(CCCH)	C(C[5,5]C[5,5]C[5]N[5])(OC)(O)	O(CC[5,5]O)	O(CC[5,5]O)(CCCH)	125.2465	0.913	2	125.2465	0.833	2	124.8735	1.373	156	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,5]C[5,5]C[5]N[5])(OC)(O)	O(CC[5,5]O)	O(CC[5,5]O)(CCHH)	C(C[5,5]C[5,5]C[5]N[5])(OC)(O)	O(CC[5,5]O)	O(CC[5,5]O)(CCHH)	124.0690	0.096	2	124.0690	0.009	2	124.8735	1.373	156	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,5]C[5,5]C[5]N[5])(OC)(O)	O(CC[5,5]O)	O(CC[5,5]O)(CH3)	C(C[5,5]C[5,5]C[5]N[5])(OC)(O)	O(CC[5,5]O)	O(CC[5,5]O)(CH3)	124.4414	0.666	8	124.4414	0.443	8	124.8735	1.373	156	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,5]C[5,5]C[5]O[5])(OC)(O)	O(CC[5,5]O)	O(CC[5,5]O)(CCHH)	C(C[5,5]C[5,5]C[5]O[5])(OC)(O)	O(CC[5,5]O)	O(CC[5,5]O)(CCHH)	126.7490	0.000	1	126.7490	0.000	1	124.8735	1.373	156	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,5]C[5,5]C[5]O[5])(OC)(O)	O(CC[5,5]O)	O(CC[5,5]O)(CH3)	C(C[5,5]C[5,5]C[5]O[5])(OC)(O)	O(CC[5,5]O)	O(CC[5,5]O)(CH3)	125.1676	1.018	7	125.1676	1.037	7	124.8735	1.373	156	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,5]C[5,5]N[5,5]C[5])(OC)(O)	O(CC[5,5]O)	O(CC[5,5]O)(CH3)	C(C[5,5]C[5,5]N[5,5]C[5])(OC)(O)	O(CC[5,5]O)	O(CC[5,5]O)(CH3)	124.2555	0.210	2	124.2555	0.044	2	124.8735	1.373	156	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,5]C[5,5]N[5]2)(OC)(O)	O(CC[5,5]O)	O(CC[5,5]O)(CCHH)	C(C[5,5]C[5,5]N[5]2)(OC)(O)	O(CC[5,5]O)	O(CC[5,5]O)(CCHH)	125.9517	0.660	40	125.9517	0.435	40	124.8735	1.373	156	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,5]C[5,6a]2C[5,5])(OC)(O)	O(CC[5,5]O)	O(CC[5,5]O)(CCHH)	C(C[5,5]C[5,6a]2C[5,5])(OC)(O)	O(CC[5,5]O)	O(CC[5,5]O)(CCHH)	124.2820	0.000	1	124.2820	0.000	1	124.8735	1.373	156	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,5]C[5,6a]2C[5,5])(OC)(O)	O(CC[5,5]O)	O(CC[5,5]O)(CH3)	C(C[5,5]C[5,6a]2C[5,5])(OC)(O)	O(CC[5,5]O)	O(CC[5,5]O)(CH3)	124.3900	0.396	2	124.3900	0.157	2	124.8735	1.373	156	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,5]C[5,6a]C[5,5]C[5])(OC)(O)	O(CC[5,5]O)	O(CC[5,5]O)(CCCH)	C(C[5,5]C[5,6a]C[5,5]C[5])(OC)(O)	O(CC[5,5]O)	O(CC[5,5]O)(CCCH)	124.6720	0.006	4	124.6720	0.000	4	124.8735	1.373	156	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,5]C[5,6a]C[5,5]C[5])(OC)(O)	O(CC[5,5]O)	O(CC[5,5]O)(CH3)	C(C[5,5]C[5,6a]C[5,5]C[5])(OC)(O)	O(CC[5,5]O)	O(CC[5,5]O)(CH3)	123.7010	0.000	2	123.7010	0.000	2	124.8735	1.373	156	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,5]C[5,6a]N[5,5]C[5])(OC)(O)	O(CC[5,5]O)	O(CC[5,5]O)(CCHH)	C(C[5,5]C[5,6a]N[5,5]C[5])(OC)(O)	O(CC[5,5]O)	O(CC[5,5]O)(CCHH)	125.2245	0.974	2	125.2245	0.948	2	124.8735	1.373	156	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,5]N[5,5,6]C[5,5]2)(OC)(O)	O(CC[5,5]O)	O(CC[5,5]O)(CH3)	C(C[5,5]N[5,5,6]C[5,5]2)(OC)(O)	O(CC[5,5]O)	O(CC[5,5]O)(CH3)	124.4360	0.000	1	124.4360	0.000	1	124.8735	1.373	156	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,5]N[5,5]C[5]2)(OC)(O)	O(CC[5,5]O)	O(CC[5,5]O)(CH3)	C(C[5,5]N[5,5]C[5]2)(OC)(O)	O(CC[5,5]O)	O(CC[5,5]O)(CH3)	124.6196	0.917	37	124.6196	0.841	37	124.8735	1.373	156	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,6,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,6,6]C[4,5,6,6]C[5,5,6,6]H)(OC)(O)	O(CC[5,6,6]O)	O(CC[5,6,6]O)(CH3)	C(C[5,6,6]C[4,5,6,6]C[5,5,6,6]H)(OC)(O)	O(CC[5,6,6]O)	O(CC[5,6,6]O)(CH3)	123.4640	0.000	1	123.4640	0.000	1	123.4923	1.414	9	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,6,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,6,6]C[5,3x6]C[6,6]O[5])(OC)(O)	O(CC[5,6,6]O)	O(CC[5,6,6]O)(CH3)	C(C[5,6,6]C[5,3x6]C[6,6]O[5])(OC)(O)	O(CC[5,6,6]O)	O(CC[5,6,6]O)(CH3)	123.9720	1.105	2	123.9720	1.220	2	123.4923	1.414	9	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,6,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,6,6]C[5,5,6,6]C[5,6]C[6])(OC)(O)	O(CC[5,6,6]O)	O(CC[5,6,6]O)(CH3)	C(C[5,6,6]C[5,5,6,6]C[5,6]C[6])(OC)(O)	O(CC[5,6,6]O)	O(CC[5,6,6]O)(CH3)	123.5560	0.331	2	123.5560	0.110	2	123.4923	1.414	9	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,6,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,6,6]C[5,5,6,6]C[5,6]O[6])(OC)(O)	O(CC[5,6,6]O)	O(CC[5,6,6]O)(CCHH)	C(C[5,6,6]C[5,5,6,6]C[5,6]O[6])(OC)(O)	O(CC[5,6,6]O)	O(CC[5,6,6]O)(CCHH)	125.4600	0.000	1	125.4600	0.000	1	123.4923	1.414	9	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,6,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,6,6]C[5,6,6]C[3x6]O[5])(OC)(O)	O(CC[5,6,6]O)	O(CC[5,6,6]O)(CH3)	C(C[5,6,6]C[5,6,6]C[3x6]O[5])(OC)(O)	O(CC[5,6,6]O)	O(CC[5,6,6]O)(CH3)	123.7970	0.000	1	123.7970	0.000	1	123.4923	1.414	9	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,6,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,6,6]C[5,6]2C[6,6])(OC)(O)	O(CC[5,6,6]O)	O(CC[5,6,6]O)(CH3)	C(C[5,6,6]C[5,6]2C[6,6])(OC)(O)	O(CC[5,6,6]O)	O(CC[5,6,6]O)(CH3)	121.8270	0.000	2	121.8270	0.000	2	123.4923	1.414	9	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,6]C[3,5,6]C[5,5,6]C[6])(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CH3)	C(C[5,6]C[3,5,6]C[5,5,6]C[6])(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CH3)	124.9340	0.000	1	124.9340	0.000	1	123.9591	1.425	282	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,6]C[3,5,6]C[5]C[6])(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CH3)	C(C[5,6]C[3,5,6]C[5]C[6])(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CH3)	123.1300	1.257	2	123.1300	1.581	2	123.9591	1.425	282	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,6]C[3,5]N[5,6]C[6])(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CH3)	C(C[5,6]C[3,5]N[5,6]C[6])(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CH3)	125.0880	0.000	1	125.0880	0.000	1	123.9591	1.425	282	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,6]C[3,6]O[5,6]C[5])(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CH3)	C(C[5,6]C[3,6]O[5,6]C[5])(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CH3)	124.0300	0.000	1	124.0300	0.000	1	123.9591	1.425	282	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,6]C[3x5,6]C[5,6]H)(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CH3)	C(C[5,6]C[3x5,6]C[5,6]H)(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CH3)	124.2130	0.000	1	124.2130	0.000	1	123.9591	1.425	282	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,6]C[5,5,6,6]C[5,6]C)(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CH3)	C(C[5,6]C[5,5,6,6]C[5,6]C)(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CH3)	123.2840	0.000	1	123.2840	0.000	1	123.9591	1.425	282	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,6]C[5,5,6]2H)(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CCHH)	C(C[5,6]C[5,5,6]2H)(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CCHH)	124.0289	0.632	7	124.0289	0.399	7	123.9591	1.425	282	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,6]C[5,5,6]2H)(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CH3)	C(C[5,6]C[5,5,6]2H)(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CH3)	123.6673	0.621	9	123.6673	0.385	9	123.9591	1.425	282	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,6]C[5,5,6]C[5,6,6]H)(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CCHH)	C(C[5,6]C[5,5,6]C[5,6,6]H)(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CCHH)	123.2600	0.000	1	123.2600	0.000	1	123.9591	1.425	282	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,6]C[5,5,6]C[5,6,6]H)(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CH3)	C(C[5,6]C[5,5,6]C[5,6,6]H)(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CH3)	123.5010	0.592	5	123.5010	0.351	5	123.9591	1.425	282	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,6]C[5,5,6]C[5,6]C)(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CCHH)	C(C[5,6]C[5,5,6]C[5,6]C)(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CCHH)	126.9595	0.547	2	126.9595	0.299	2	123.9591	1.425	282	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,6]C[5,5,6]C[5,6]C)(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CH3)	C(C[5,6]C[5,5,6]C[5,6]C)(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CH3)	123.0100	0.706	13	123.0100	0.498	13	123.9591	1.425	282	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,6]C[5,5,6]C[5,6]C[5])(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CH3)	C(C[5,6]C[5,5,6]C[5,6]C[5])(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CH3)	122.8598	0.632	5	122.8598	0.400	5	123.9591	1.425	282	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,6]C[5,5,6]C[5,6]C[6a])(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CCHH)	C(C[5,6]C[5,5,6]C[5,6]C[6a])(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CCHH)	123.8430	0.000	1	123.8430	0.000	1	123.9591	1.425	282	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,6]C[5,5,6]C[5,6]H)(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CCHH)	C(C[5,6]C[5,5,6]C[5,6]H)(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CCHH)	123.7848	1.824	4	123.7848	3.328	4	123.9591	1.425	282	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,6]C[5,5,6]C[5,6]H)(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CH3)	C(C[5,6]C[5,5,6]C[5,6]H)(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CH3)	123.3927	0.892	40	123.3927	0.796	40	123.9591	1.425	282	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,6]C[5,5,6]C[5,6]N)(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CCHH)	C(C[5,6]C[5,5,6]C[5,6]N)(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CCHH)	124.0660	0.169	3	124.0660	0.028	3	123.9591	1.425	282	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,6]C[5,5,6]C[5,6]N)(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CH3)	C(C[5,6]C[5,5,6]C[5,6]N)(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CH3)	123.4622	0.682	5	123.4622	0.465	5	123.9591	1.425	282	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,6]C[5,5,6]C[5,6]O)(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CCHH)	C(C[5,6]C[5,5,6]C[5,6]O)(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CCHH)	125.6885	0.185	4	125.6885	0.034	4	123.9591	1.425	282	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,6]C[5,5,6]C[5,6]S)(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CH3)	C(C[5,6]C[5,5,6]C[5,6]S)(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CH3)	124.9640	0.000	1	124.9640	0.000	1	123.9591	1.425	282	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,6]C[5,5,6]C[5]C[6])(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CCHH)	C(C[5,6]C[5,5,6]C[5]C[6])(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CCHH)	123.3580	0.000	1	123.3580	0.000	1	123.9591	1.425	282	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,6]C[5,5,6]C[5]C[6])(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CH3)	C(C[5,6]C[5,5,6]C[5]C[6])(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CH3)	123.8187	0.465	3	123.8187	0.216	3	123.9591	1.425	282	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,6]C[5,5,6]N[5,6]H)(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CH3)	C(C[5,6]C[5,5,6]N[5,6]H)(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CH3)	123.4075	0.598	2	123.4075	0.357	2	123.9591	1.425	282	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,6]C[5,5]C[5,6]2)(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CH3)	C(C[5,6]C[5,5]C[5,6]2)(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CH3)	123.5407	0.352	3	123.5407	0.124	3	123.9591	1.425	282	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,6]C[5,5]N[5,6]C[6])(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CCHH)	C(C[5,6]C[5,5]N[5,6]C[6])(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CCHH)	124.5320	0.000	1	124.5320	0.000	1	123.9591	1.425	282	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,6]C[5,5]O[5,6]C[6])(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CC3)	C(C[5,6]C[5,5]O[5,6]C[6])(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CC3)	127.5090	0.000	1	127.5090	0.000	1	123.9591	1.425	282	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,6]C[5,6,6]C[5]C[6])(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CCHH)	C(C[5,6]C[5,6,6]C[5]C[6])(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CCHH)	124.0502	0.905	14	124.0502	0.819	14	123.9591	1.425	282	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,6]C[5,6,6]C[5]C[6])(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CH3)	C(C[5,6]C[5,6,6]C[5]C[6])(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CH3)	124.2460	0.000	1	124.2460	0.000	1	123.9591	1.425	282	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,6]C[5,6,6]C[6]O[5])(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CH3)	C(C[5,6]C[5,6,6]C[6]O[5])(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CH3)	124.2103	0.953	4	124.2103	0.908	4	123.9591	1.425	282	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,6]C[5,6,6]O[5,6]C[5])(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CCHH)	C(C[5,6]C[5,6,6]O[5,6]C[5])(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CCHH)	125.4600	0.000	1	125.4600	0.000	1	123.9591	1.425	282	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,6]C[5,6,6a]C[5]C[6])(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CCHH)	C(C[5,6]C[5,6,6a]C[5]C[6])(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CCHH)	124.1695	0.257	2	124.1695	0.066	2	123.9591	1.425	282	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,6]C[5,6]2C)(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CCHH)	C(C[5,6]C[5,6]2C)(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CCHH)	125.4840	0.438	2	125.4840	0.192	2	123.9591	1.425	282	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,6]C[5,6]2C)(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CH3)	C(C[5,6]C[5,6]2C)(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CH3)	125.1683	0.356	4	125.1683	0.127	4	123.9591	1.425	282	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,6]C[5,6]2C[5])(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CH3)	C(C[5,6]C[5,6]2C[5])(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CH3)	122.7920	2.053	2	122.7920	4.217	2	123.9591	1.425	282	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,6]C[5,6]2C[6])(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CH3)	C(C[5,6]C[5,6]2C[6])(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CH3)	123.7782	0.857	6	123.7782	0.735	6	123.9591	1.425	282	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,6]C[5,6]2C[6a])(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CH3)	C(C[5,6]C[5,6]2C[6a])(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CH3)	124.6540	0.000	1	124.6540	0.000	1	123.9591	1.425	282	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,6]C[5,6]2Cl)(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CCHH)	C(C[5,6]C[5,6]2Cl)(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CCHH)	124.4100	1.649	2	124.4100	2.719	2	123.9591	1.425	282	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,6]C[5,6]2H)(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CCHH)	C(C[5,6]C[5,6]2H)(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CCHH)	124.7650	0.000	1	124.7650	0.000	1	123.9591	1.425	282	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,6]C[5,6]2O[5])(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CCCH)	C(C[5,6]C[5,6]2O[5])(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CCCH)	125.5640	0.000	1	125.5640	0.000	1	123.9591	1.425	282	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,6]C[5,6]C[5]C[6])(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CC3)	C(C[5,6]C[5,6]C[5]C[6])(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CC3)	125.0876	0.999	5	125.0876	0.998	5	123.9591	1.425	282	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,6]C[5,6]C[5]C[6])(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CCHH)	C(C[5,6]C[5,6]C[5]C[6])(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CCHH)	123.5899	0.898	14	123.5899	0.806	14	123.9591	1.425	282	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,6]C[5,6]C[5]C[6])(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CH3)	123.5856	0.869	70	123.5856	0.755	70	123.9591	1.425	282	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,6]C[5,6]C[5]N[6])(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CCHH)	C(C[5,6]C[5,6]C[5]N[6])(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CCHH)	124.2720	0.000	1	124.2720	0.000	1	123.9591	1.425	282	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,6]C[5,6]C[6,6]C[5])(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CH3)	C(C[5,6]C[5,6]C[6,6]C[5])(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CH3)	123.3480	0.000	1	123.3480	0.000	1	123.9591	1.425	282	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,6]C[5,6]C[6]N[5])(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CC3)	C(C[5,6]C[5,6]C[6]N[5])(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CC3)	125.8700	0.000	1	125.8700	0.000	1	123.9591	1.425	282	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,6]C[5,6]C[6]N[5])(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CCHH)	C(C[5,6]C[5,6]C[6]N[5])(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CCHH)	124.7540	1.181	2	124.7540	1.394	2	123.9591	1.425	282	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,6]C[5,6]C[6]N[5])(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CH3)	C(C[5,6]C[5,6]C[6]N[5])(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CH3)	124.7745	0.138	2	124.7745	0.019	2	123.9591	1.425	282	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,6]C[5,6]C[6]O[5])(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CCHH)	C(C[5,6]C[5,6]C[6]O[5])(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CCHH)	127.5297	0.470	3	127.5297	0.221	3	123.9591	1.425	282	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,6]C[5,6]C[6]O[5])(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CH3)	C(C[5,6]C[5,6]C[6]O[5])(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CH3)	123.9505	0.411	2	123.9505	0.169	2	123.9591	1.425	282	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,6]C[5,6]O[5]O[6])(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CCHH)	C(C[5,6]C[5,6]O[5]O[6])(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CCHH)	125.7370	0.000	1	125.7370	0.000	1	123.9591	1.425	282	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,6]C[5,6a]C[5,6]C[6])(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CH3)	C(C[5,6]C[5,6a]C[5,6]C[6])(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CH3)	124.7160	0.000	1	124.7160	0.000	1	123.9591	1.425	282	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,6]C[5,6a]N[5a,6]N[5,6])(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CH3)	C(C[5,6]C[5,6a]N[5a,6]N[5,6])(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CH3)	125.4280	0.000	1	125.4280	0.000	1	123.9591	1.425	282	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,6]C[5a,6]C[5,6]O[5])(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CH3)	C(C[5,6]C[5a,6]C[5,6]O[5])(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CH3)	125.2890	0.000	1	125.2890	0.000	1	123.9591	1.425	282	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,6]C[5a,6]N[5,6]C[5])(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CH3)	C(C[5,6]C[5a,6]N[5,6]C[5])(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CH3)	124.2620	0.000	1	124.2620	0.000	1	123.9591	1.425	282	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,6]C[6,6a]C[5,6]C[5])(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CCHH)	C(C[5,6]C[6,6a]C[5,6]C[5])(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CCHH)	123.8295	0.185	2	123.8295	0.034	2	123.9591	1.425	282	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,6]C[6,6a]C[5,6]N[5])(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CH3)	C(C[5,6]C[6,6a]C[5,6]N[5])(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CH3)	124.0100	0.000	1	124.0100	0.000	1	123.9591	1.425	282	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,6]N[5,6]C[5]C[6])(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CCCH)	C(C[5,6]N[5,6]C[5]C[6])(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CCCH)	123.6640	0.000	1	123.6640	0.000	1	123.9591	1.425	282	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,6]N[5,6]C[5]C[6])(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CCHH)	C(C[5,6]N[5,6]C[5]C[6])(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CCHH)	124.0430	0.000	1	124.0430	0.000	1	123.9591	1.425	282	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,6]N[5,6]C[5]C[6])(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CH3)	C(C[5,6]N[5,6]C[5]C[6])(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CH3)	124.6003	0.600	3	124.6003	0.360	3	123.9591	1.425	282	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,6]N[5,6]C[5]N[6])(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CH3)	C(C[5,6]N[5,6]C[5]N[6])(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CH3)	127.4850	0.260	2	127.4850	0.068	2	123.9591	1.425	282	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,6]O[5,6]C[5]C[6])(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CC3)	C(C[5,6]O[5,6]C[5]C[6])(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CC3)	127.3380	0.182	2	127.3380	0.033	2	123.9591	1.425	282	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,6]O[5,6]C[5]C[6])(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CCHH)	C(C[5,6]O[5,6]C[5]C[6])(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CCHH)	126.3130	0.000	1	126.3130	0.000	1	123.9591	1.425	282	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,6]O[5,6]C[5]C[6])(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CH3)	C(C[5,6]O[5,6]C[5]C[6])(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CH3)	125.3335	0.448	2	125.3335	0.200	2	123.9591	1.425	282	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5,6]O[5,6]C[5]S[6])(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CH3)	C(C[5,6]O[5,6]C[5]S[6])(OC)(O)	O(CC[5,6]O)	O(CC[5,6]O)(CH3)	126.4340	0.185	2	126.4340	0.034	2	123.9591	1.425	282	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]B[5]C[5]C[6])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]B[5]C[5]C[6])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	122.5050	0.000	1	122.5050	0.000	1	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]B[5]C[5]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]B[5]C[5]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	122.1222	0.359	6	122.1222	0.129	6	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[3,5]C[5]C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	C(C[5]C[3,5]C[5]C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	123.9111	0.560	7	123.9111	0.314	7	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[3,5]C[5]C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]C[3,5]C[5]C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	124.0325	0.646	2	124.0325	0.417	2	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[3,5]C[5]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]C[3,5]C[5]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	123.0167	0.092	3	123.0167	0.008	3	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[3,5]C[6a]C[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]C[3,5]C[6a]C[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	124.3530	0.000	1	124.3530	0.000	1	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[3,5]N[5]C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	C(C[5]C[3,5]N[5]C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	122.9070	0.000	1	122.9070	0.000	1	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[3,5]N[5]C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]C[3,5]N[5]C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	124.1935	0.497	2	124.1935	0.247	2	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[3,5]N[5]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]C[3,5]N[5]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	125.2317	0.662	3	125.2317	0.438	3	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[3,5]O[5]C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CC3)	C(C[5]C[3,5]O[5]C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CC3)	126.1580	0.000	1	126.1580	0.000	1	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[3,5]P[5]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]C[3,5]P[5]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	123.5470	0.000	1	123.5470	0.000	1	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[4,5]C[5]C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CC3)	C(C[5]C[4,5]C[5]C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CC3)	127.1070	0.021	2	127.1070	0.000	2	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[4,5]C[5]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	C(C[5]C[4,5]C[5]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	124.0968	0.738	6	124.0968	0.544	6	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[4,5]C[6a]O[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]C[4,5]C[6a]O[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	124.5025	0.327	2	124.5025	0.107	2	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[4,5]N[5]C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]C[4,5]N[5]C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	124.3330	0.000	1	124.3330	0.000	1	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[4,5]N[5]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]C[4,5]N[5]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	123.0555	0.407	2	123.0555	0.165	2	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,5,6,6]C[5]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	C(C[5]C[5,5,6,6]C[5]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	123.0560	0.000	1	123.0560	0.000	1	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,5,6,6]N[5]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CC3)	C(C[5]C[5,5,6,6]N[5]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CC3)	126.9740	0.000	1	126.9740	0.000	1	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,5,6]2H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]C[5,5,6]2H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	123.6110	0.000	1	123.6110	0.000	1	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,5,6]C[5,6a]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	C(C[5]C[5,5,6]C[5,6a]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	124.3443	0.347	4	124.3443	0.120	4	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,5,6]C[5]C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CC3)	C(C[5]C[5,5,6]C[5]C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CC3)	126.6100	0.000	1	126.6100	0.000	1	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,5,6]C[5]C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	C(C[5]C[5,5,6]C[5]C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	124.5270	0.000	1	124.5270	0.000	1	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,5,6]C[5]C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]C[5,5,6]C[5]C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	123.9360	1.061	2	123.9360	1.125	2	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,5,6]C[5]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]C[5,5,6]C[5]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	123.1952	0.352	5	123.1952	0.124	5	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,5]2H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CC3)	C(C[5]C[5,5]2H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CC3)	127.1520	0.000	1	127.1520	0.000	1	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,5]2H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	C(C[5]C[5,5]2H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	124.2432	0.983	6	124.2432	0.966	6	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,5]2H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]C[5,5]2H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	124.2827	1.140	3	124.2827	1.301	3	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,5]C[5,6]C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]C[5,5]C[5,6]C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	124.0215	0.308	2	124.0215	0.095	2	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,5]C[5,6]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	C(C[5]C[5,5]C[5,6]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	123.6824	0.840	8	123.6824	0.706	8	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,5]C[5,6]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]C[5,5]C[5,6]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	123.4610	0.000	1	123.4610	0.000	1	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,5]C[5]2)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]C[5,5]C[5]2)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	122.9600	0.121	3	122.9600	0.015	3	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,5]C[5]C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	C(C[5]C[5,5]C[5]C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	125.2378	1.115	12	125.2378	1.242	12	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,5]C[5]C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]C[5,5]C[5]C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	124.1778	0.851	44	124.1778	0.723	44	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,5]C[5]Cl)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]C[5,5]C[5]Cl)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	125.3365	0.429	2	125.3365	0.184	2	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,5]C[5]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CC3)	C(C[5]C[5,5]C[5]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CC3)	126.1635	0.497	6	126.1635	0.247	6	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,5]C[5]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	C(C[5]C[5,5]C[5]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	124.6377	0.791	40	124.6377	0.626	40	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,5]C[5]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]C[5,5]C[5]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	123.8499	0.651	51	123.8499	0.423	51	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,5]C[5]N)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	C(C[5]C[5,5]C[5]N)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	125.5395	0.158	2	125.5395	0.025	2	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,5]C[5]N)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]C[5,5]C[5]N)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	124.3710	0.000	1	124.3710	0.000	1	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,5]C[5]O)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	C(C[5]C[5,5]C[5]O)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	125.5135	0.798	2	125.5135	0.637	2	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,5]C[5]O)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]C[5,5]C[5]O)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	124.8400	0.547	5	124.8400	0.299	5	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,5]C[6a]C[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]C[5,5]C[6a]C[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	123.6745	0.992	2	123.6745	0.984	2	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,5]C[6a]N[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]C[5,5]C[6a]N[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	124.5998	0.353	4	124.5998	0.125	4	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,5]N[5,5]C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	C(C[5]C[5,5]N[5,5]C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	124.1460	0.612	2	124.1460	0.375	2	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,5]N[5,5]C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]C[5,5]N[5,5]C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	123.7962	0.316	5	123.7962	0.100	5	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,5]N[5,5]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	C(C[5]C[5,5]N[5,5]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	125.8255	0.674	2	125.8255	0.454	2	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,5]N[5,5]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]C[5,5]N[5,5]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	125.2950	0.000	1	125.2950	0.000	1	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,5]N[5,6]C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]C[5,5]N[5,6]C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	123.1610	0.000	1	123.1610	0.000	1	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,5]N[5]C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	C(C[5]C[5,5]N[5]C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	124.8697	0.999	24	124.8697	0.999	24	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,5]N[5]C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]C[5,5]N[5]C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	124.5473	0.616	24	124.5473	0.380	24	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,5]N[5]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	C(C[5]C[5,5]N[5]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	124.8681	0.721	8	124.8681	0.519	8	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,5]N[5]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]C[5,5]N[5]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	124.3505	1.136	10	124.3505	1.291	10	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,5]N[6a]O[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]C[5,5]N[6a]O[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	124.9500	0.320	2	124.9500	0.102	2	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,5]O[5]Br)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]C[5,5]O[5]Br)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	125.0490	0.000	1	125.0490	0.000	1	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,5]O[5]C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CC3)	C(C[5]C[5,5]O[5]C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CC3)	126.6640	0.000	1	126.6640	0.000	1	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,5]O[5]C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	C(C[5]C[5,5]O[5]C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	126.7020	1.206	2	126.7020	1.455	2	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,5]O[5]C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]C[5,5]O[5]C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	125.0655	0.530	4	125.0655	0.281	4	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,5]O[5]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CC3)	C(C[5]C[5,5]O[5]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CC3)	127.6260	0.000	1	127.6260	0.000	1	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,5]O[5]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	C(C[5]C[5,5]O[5]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	126.5880	0.615	3	126.5880	0.378	3	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,5]O[5]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]C[5,5]O[5]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	126.2640	0.000	1	126.2640	0.000	1	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,5]S[5]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	C(C[5]C[5,5]S[5]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	124.7670	0.000	1	124.7670	0.000	1	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,5]S[5]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]C[5,5]S[5]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	123.9745	0.060	2	123.9745	0.004	2	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,5a]C[5,5]C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	C(C[5]C[5,5a]C[5,5]C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	125.9590	0.000	1	125.9590	0.000	1	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,5a]C[5]C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	C(C[5]C[5,5a]C[5]C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	120.0070	0.000	1	120.0070	0.000	1	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,5a]C[5]O)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]C[5,5a]C[5]O)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	122.7450	0.000	1	122.7450	0.000	1	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,5a]C[5a]C[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	C(C[5]C[5,5a]C[5a]C[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	125.9200	0.000	1	125.9200	0.000	1	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,5a]C[6a]C[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]C[5,5a]C[6a]C[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	123.9125	0.059	2	123.9125	0.003	2	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,5a]C[6a]N[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]C[5,5a]C[6a]N[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	124.6690	0.000	1	124.6690	0.000	1	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,5a]N[5]C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCCH)	C(C[5]C[5,5a]N[5]C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCCH)	126.7670	0.000	1	126.7670	0.000	1	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,6]2C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]C[5,6]2C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	123.9998	0.819	4	123.9998	0.671	4	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,6]2H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	C(C[5]C[5,6]2H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	123.5990	0.128	3	123.5990	0.016	3	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,6]C[5]C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	C(C[5]C[5,6]C[5]C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	124.7288	0.591	6	124.7288	0.350	6	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,6]C[5]C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]C[5,6]C[5]C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	123.9196	0.701	41	123.9196	0.492	41	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,6]C[5]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CC3)	C(C[5]C[5,6]C[5]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CC3)	125.4730	0.000	1	125.4730	0.000	1	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,6]C[5]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	C(C[5]C[5,6]C[5]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	123.5252	2.094	10	123.5252	4.384	10	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,6]C[5]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]C[5,6]C[5]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	123.3295	0.742	13	123.3295	0.550	13	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,6]C[5]O)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	C(C[5]C[5,6]C[5]O)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	125.9025	0.887	2	125.9025	0.788	2	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,6]C[5]O)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]C[5,6]C[5]O)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	124.1451	0.385	8	124.1451	0.148	8	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,6]C[5]Rh)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	C(C[5]C[5,6]C[5]Rh)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	125.2720	0.000	1	125.2720	0.000	1	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,6]C[5]S)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CC3)	C(C[5]C[5,6]C[5]S)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CC3)	125.9000	0.000	1	125.9000	0.000	1	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,6]C[6a]N[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]C[5,6]C[6a]N[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	124.0800	1.094	3	124.0800	1.197	3	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,6]C[6a]O[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]C[5,6]C[6a]O[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	123.7690	0.000	1	123.7690	0.000	1	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,6]N[5,5]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	C(C[5]C[5,6]N[5,5]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	124.5740	0.000	1	124.5740	0.000	1	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,6]N[5]C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CC3)	C(C[5]C[5,6]N[5]C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CC3)	126.7940	0.786	2	126.7940	0.618	2	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,6]N[5]C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	C(C[5]C[5,6]N[5]C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	124.8960	1.071	5	124.8960	1.147	5	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,6]N[5]C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]C[5,6]N[5]C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	124.8968	0.945	17	124.8968	0.894	17	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,6]N[5]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CC3)	C(C[5]C[5,6]N[5]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CC3)	126.4900	0.000	1	126.4900	0.000	1	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,6]N[5]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	C(C[5]C[5,6]N[5]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	124.5000	0.744	4	124.5000	0.554	4	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,6]N[5]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]C[5,6]N[5]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	124.6599	0.549	7	124.6599	0.301	7	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,6]O[5]C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	C(C[5]C[5,6]O[5]C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	125.9373	0.479	4	125.9373	0.229	4	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,6]O[5]C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]C[5,6]O[5]C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	124.5485	0.804	2	124.5485	0.646	2	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,6]O[5]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	C(C[5]C[5,6]O[5]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	124.9230	0.695	3	124.9230	0.482	3	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,6]O[5]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]C[5,6]O[5]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	124.3620	0.459	9	124.3620	0.211	9	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,6]P[5]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]C[5,6]P[5]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	124.5660	0.000	1	124.5660	0.000	1	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,6]S[5]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]C[5,6]S[5]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	124.3710	0.000	1	124.3710	0.000	1	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,6a]2C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	C(C[5]C[5,6a]2C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	124.6765	0.319	2	124.6765	0.102	2	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,6a]2O)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	C(C[5]C[5,6a]2O)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	124.7005	0.506	2	124.7005	0.256	2	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,6a]C[3,5]C[6a])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]C[5,6a]C[3,5]C[6a])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	123.3880	0.000	1	123.3880	0.000	1	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,6a]C[5,5]C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCCH)	C(C[5]C[5,6a]C[5,5]C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCCH)	125.1460	0.229	2	125.1460	0.052	2	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,6a]C[5,5]C[6a])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCCH)	C(C[5]C[5,6a]C[5,5]C[6a])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCCH)	124.5100	0.000	1	124.5100	0.000	1	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,6a]C[5,6]C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CC3)	C(C[5]C[5,6a]C[5,6]C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CC3)	126.1066	0.356	20	126.1066	0.127	20	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,6a]C[5,6]C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCCH)	C(C[5]C[5,6a]C[5,6]C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCCH)	125.0215	0.339	2	125.0215	0.115	2	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,6a]C[5,6]C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]C[5,6a]C[5,6]C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	122.9190	0.114	4	122.9190	0.013	4	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,6a]C[5,6]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]C[5,6a]C[5,6]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	123.5944	0.560	5	123.5944	0.314	5	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,6a]C[5]2)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	C(C[5]C[5,6a]C[5]2)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	125.4570	0.000	1	125.4570	0.000	1	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,6a]C[5]C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CC3)	C(C[5]C[5,6a]C[5]C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CC3)	126.5665	0.360	2	126.5665	0.130	2	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,6a]C[5]C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	C(C[5]C[5,6a]C[5]C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	124.7757	0.321	3	124.7757	0.103	3	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,6a]C[5]C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]C[5,6a]C[5]C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	124.0912	0.980	16	124.0912	0.960	16	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,6a]C[5]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCCH)	C(C[5]C[5,6a]C[5]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCCH)	124.4710	0.000	1	124.4710	0.000	1	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,6a]C[5]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	C(C[5]C[5,6a]C[5]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	124.6840	0.597	3	124.6840	0.357	3	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,6a]C[5]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]C[5,6a]C[5]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	123.3614	1.055	8	123.3614	1.113	8	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,6a]C[5]Mo)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]C[5,6a]C[5]Mo)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	123.0220	0.000	1	123.0220	0.000	1	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,6a]C[5]N[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	C(C[5]C[5,6a]C[5]N[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	125.8500	0.000	1	125.8500	0.000	1	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,6a]C[5]O)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCCH)	C(C[5]C[5,6a]C[5]O)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCCH)	125.1670	0.000	1	125.1670	0.000	1	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,6a]C[5]O)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	C(C[5]C[5,6a]C[5]O)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	125.4576	1.195	5	125.4576	1.429	5	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,6a]C[5]O)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]C[5,6a]C[5]O)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	124.6657	0.881	6	124.6657	0.777	6	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,6a]C[5]Pd)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]C[5,6a]C[5]Pd)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	123.1550	0.000	1	123.1550	0.000	1	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,6a]C[5a]N[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]C[5,6a]C[5a]N[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	124.8200	0.074	2	124.8200	0.005	2	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,6a]C[6a]C[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCCH)	C(C[5]C[5,6a]C[6a]C[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCCH)	124.1495	0.042	2	124.1495	0.002	2	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,6a]C[6a]C[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	C(C[5]C[5,6a]C[6a]C[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	124.3855	0.525	2	124.3855	0.276	2	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,6a]C[6a]C[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]C[5,6a]C[6a]C[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	123.2020	0.157	2	123.2020	0.025	2	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,6a]C[6a]N[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CC3)	C(C[5]C[5,6a]C[6a]N[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CC3)	127.4510	0.000	1	127.4510	0.000	1	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,6a]C[6a]N[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]C[5,6a]C[6a]N[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	125.0110	0.510	3	125.0110	0.260	3	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,6a]N[5,6a]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	C(C[5]C[5,6a]N[5,6a]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	126.6930	0.000	1	126.6930	0.000	1	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,6a]N[5,6a]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]C[5,6a]N[5,6a]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	125.1880	0.000	1	125.1880	0.000	1	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,6a]N[5,6a]O)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	C(C[5]C[5,6a]N[5,6a]O)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	126.0633	0.210	3	126.0633	0.044	3	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,6a]N[5]C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCCH)	C(C[5]C[5,6a]N[5]C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCCH)	125.9175	0.241	2	125.9175	0.058	2	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,6a]N[5]C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	C(C[5]C[5,6a]N[5]C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	125.7182	0.401	6	125.7182	0.161	6	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,6a]N[5]C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]C[5,6a]N[5]C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	123.4180	0.000	1	123.4180	0.000	1	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,6a]N[5]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]C[5,6a]N[5]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	124.5160	0.000	1	124.5160	0.000	1	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,6a]N[5]O)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	C(C[5]C[5,6a]N[5]O)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	126.8670	0.000	1	126.8670	0.000	1	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,6a]O[5]C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CC3)	C(C[5]C[5,6a]O[5]C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CC3)	127.5938	0.589	5	127.5938	0.347	5	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,6a]O[5]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]C[5,6a]O[5]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	125.8080	0.000	1	125.8080	0.000	1	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5,6a]O[5]O)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]C[5,6a]O[5]O)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	124.4020	0.000	1	124.4020	0.000	1	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5]2C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CC3)	C(C[5]C[5]2C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CC3)	126.1621	1.077	28	126.1621	1.161	28	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5]2C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCCH)	C(C[5]C[5]2C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCCH)	125.2522	0.772	5	125.2522	0.596	5	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5]2C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	C(C[5]C[5]2C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	124.4986	0.757	124	124.4986	0.573	124	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5]2C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]C[5]2C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	124.2226	0.790	320	124.2226	0.623	320	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5]2C[6])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CC3)	C(C[5]C[5]2C[6])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CC3)	125.8235	0.231	2	125.8235	0.053	2	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5]2Cl)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]C[5]2Cl)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	125.0950	0.000	1	125.0950	0.000	1	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5]2Co)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]C[5]2Co)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	123.7855	0.467	13	123.7855	0.218	13	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5]2Cr)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]C[5]2Cr)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	124.2812	1.817	8	124.2812	3.303	8	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5]2F)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	C(C[5]C[5]2F)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	124.2040	0.000	1	124.2040	0.000	1	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5]2F)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]C[5]2F)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	125.5300	0.731	3	125.5300	0.534	3	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5]2Fe)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCCH)	C(C[5]C[5]2Fe)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCCH)	123.9345	1.182	2	123.9345	1.396	2	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5]2Fe)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	C(C[5]C[5]2Fe)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	123.8301	0.879	27	123.8301	0.773	27	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5]2Fe)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]C[5]2Fe)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	123.8645	1.062	29	123.8645	1.127	29	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5]2H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CC3)	C(C[5]C[5]2H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CC3)	125.5978	1.150	11	125.5978	1.322	11	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5]2H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCCH)	C(C[5]C[5]2H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCCH)	122.6280	0.000	1	122.6280	0.000	1	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5]2H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	C(C[5]C[5]2H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	124.0436	0.928	43	124.0436	0.862	43	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5]2H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]C[5]2H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	123.5318	1.325	101	123.5318	1.755	101	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5]2Mo)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	C(C[5]C[5]2Mo)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	124.9435	0.494	2	124.9435	0.244	2	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5]2Mo)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]C[5]2Mo)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	124.0464	0.585	11	124.0464	0.343	11	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5]2N)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CC3)	C(C[5]C[5]2N)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CC3)	124.7720	0.000	1	124.7720	0.000	1	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5]2N)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	C(C[5]C[5]2N)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	125.5992	1.410	8	125.5992	1.989	8	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5]2N)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]C[5]2N)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	124.0777	1.252	11	124.0777	1.568	11	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5]2N[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]C[5]2N[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	124.5338	0.545	5	124.5338	0.297	5	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5]2O)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CC3)	C(C[5]C[5]2O)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CC3)	127.0775	0.985	4	127.0775	0.970	4	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5]2O)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCCH)	C(C[5]C[5]2O)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCCH)	124.0120	0.448	4	124.0120	0.201	4	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5]2O)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	C(C[5]C[5]2O)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	125.3890	0.000	1	125.3890	0.000	1	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5]2O)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]C[5]2O)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	125.0462	1.296	19	125.0462	1.680	19	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5]2O[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]C[5]2O[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	125.4655	0.858	2	125.4655	0.736	2	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5]2P)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	C(C[5]C[5]2P)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	124.5540	0.000	1	124.5540	0.000	1	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5]2Pd)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	C(C[5]C[5]2Pd)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	125.1800	0.000	1	125.1800	0.000	1	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5]2Re)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]C[5]2Re)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	124.8145	0.197	2	124.8145	0.039	2	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5]2Rh)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	C(C[5]C[5]2Rh)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	124.4315	1.060	2	124.4315	1.124	2	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5]2Ru)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	C(C[5]C[5]2Ru)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	123.1532	0.583	8	123.1532	0.339	8	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5]2Ru)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]C[5]2Ru)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	124.4097	0.745	9	124.4097	0.556	9	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5]2S)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CC3)	C(C[5]C[5]2S)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CC3)	125.9710	0.000	1	125.9710	0.000	1	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5]2S)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]C[5]2S)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	124.1501	0.448	7	124.1501	0.201	7	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5]2Ti)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CC3)	C(C[5]C[5]2Ti)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CC3)	126.5030	0.648	2	126.5030	0.420	2	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5]2V)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]C[5]2V)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	125.1290	0.000	1	125.1290	0.000	1	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5]2W)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]C[5]2W)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	125.0450	0.000	1	125.0450	0.000	1	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5]3)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]C[5]3)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	123.5348	0.697	4	123.5348	0.485	4	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5]N[5]C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CC3)	C(C[5]C[5]N[5]C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CC3)	126.0040	1.335	8	126.0040	1.781	8	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5]N[5]C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	C(C[5]C[5]N[5]C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	125.0894	0.871	81	125.0894	0.758	81	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5]N[5]C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]C[5]N[5]C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	124.4920	0.904	83	124.4920	0.818	83	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5]N[5]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CC3)	C(C[5]C[5]N[5]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CC3)	126.3084	0.667	22	126.3084	0.445	22	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5]N[5]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCCH)	C(C[5]C[5]N[5]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCCH)	124.6750	0.580	2	124.6750	0.336	2	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5]N[5]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	C(C[5]C[5]N[5]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	124.7317	0.819	68	124.7317	0.670	68	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5]N[5]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]C[5]N[5]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	124.3840	0.831	191	124.3840	0.691	191	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5]N[5]N)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]C[5]N[5]N)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	125.9770	0.000	1	125.9770	0.000	1	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5]N[5]O)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	C(C[5]C[5]N[5]O)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	124.2150	1.936	2	124.2150	3.748	2	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5]N[5]O)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]C[5]N[5]O)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	124.8360	0.638	4	124.8360	0.407	4	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5]O[5]C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CC3)	C(C[5]C[5]O[5]C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CC3)	126.7432	0.887	5	126.7432	0.787	5	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5]O[5]C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	C(C[5]C[5]O[5]C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	125.5388	0.639	17	125.5388	0.408	17	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5]O[5]C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]C[5]O[5]C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	125.1156	0.928	25	125.1156	0.862	25	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5]O[5]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CC3)	C(C[5]C[5]O[5]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CC3)	126.5433	0.882	3	126.5433	0.778	3	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5]O[5]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCCH)	C(C[5]C[5]O[5]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCCH)	125.3632	0.852	12	125.3632	0.726	12	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5]O[5]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	C(C[5]C[5]O[5]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	124.3975	2.670	18	124.3975	7.130	18	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5]O[5]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]C[5]O[5]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	125.1609	0.798	32	125.1609	0.637	32	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5]O[5]O)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CC3)	C(C[5]C[5]O[5]O)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CC3)	127.5940	0.339	2	127.5940	0.115	2	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5]O[5]O)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]C[5]O[5]O)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	124.6060	0.000	1	124.6060	0.000	1	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5]P[5]Fe)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	C(C[5]C[5]P[5]Fe)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	122.4020	0.205	2	122.4020	0.042	2	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5]P[5]Fe)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]C[5]P[5]Fe)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	122.9218	0.274	4	122.9218	0.075	4	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5]S[5]C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	C(C[5]C[5]S[5]C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	125.3263	0.404	4	125.3263	0.163	4	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5]S[5]C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]C[5]S[5]C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	125.4085	0.227	2	125.4085	0.052	2	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5]S[5]F)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]C[5]S[5]F)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	127.1140	0.000	1	127.1140	0.000	1	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5]S[5]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	C(C[5]C[5]S[5]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	124.9510	0.378	2	124.9510	0.143	2	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5]S[5]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]C[5]S[5]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	124.3490	0.447	3	124.3490	0.200	3	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5a]C[5]2)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	C(C[5]C[5a]C[5]2)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	124.4420	0.000	1	124.4420	0.000	1	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5a]C[5]2)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]C[5a]C[5]2)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	123.5440	0.000	1	123.5440	0.000	1	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[5a]C[5]N[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]C[5a]C[5]N[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	124.6540	0.683	2	124.6540	0.467	2	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[6]S[5]2)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	C(C[5]C[6]S[5]2)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	125.0990	0.000	1	125.0990	0.000	1	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[6a]C[5]2)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CC3)	C(C[5]C[6a]C[5]2)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CC3)	126.1090	0.000	1	126.1090	0.000	1	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[6a]C[5]2)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]C[6a]C[5]2)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	124.0575	0.632	15	124.0575	0.399	15	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[6a]C[5]N[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	C(C[5]C[6a]C[5]N[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	125.3010	0.000	1	125.3010	0.000	1	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[6a]C[5]N[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]C[6a]C[5]N[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	124.1170	0.648	24	124.1170	0.420	24	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[6a]C[5]O[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	C(C[5]C[6a]C[5]O[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	125.4835	1.428	2	125.4835	2.038	2	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[6a]C[5]O[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]C[6a]C[5]O[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	124.6077	0.668	7	124.6077	0.447	7	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[6a]C[5]P[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]C[6a]C[5]P[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	124.0610	0.000	1	124.0610	0.000	1	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[6a]C[5]S[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	C(C[5]C[6a]C[5]S[5])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	124.6240	0.000	1	124.6240	0.000	1	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]C[6a]N[5]2)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]C[6a]N[5]2)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	125.2210	0.612	3	125.2210	0.375	3	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]Ge[5]N[5]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]Ge[5]N[5]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	123.3590	0.000	2	123.3590	0.000	2	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]N[5,5]C[5]C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	C(C[5]N[5,5]C[5]C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	125.9705	1.190	2	125.9705	1.416	2	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]N[5,5]C[5]C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]N[5,5]C[5]C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	123.8120	0.529	5	123.8120	0.280	5	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]N[5,5]C[5]C[6])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]N[5,5]C[5]C[6])(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	124.5540	0.484	2	124.5540	0.234	2	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]N[5,5]C[5]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CC3)	C(C[5]N[5,5]C[5]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CC3)	125.9883	0.829	3	125.9883	0.687	3	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]N[5,5]C[5]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	C(C[5]N[5,5]C[5]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	125.0685	0.322	2	125.0685	0.104	2	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]N[5,5]C[5]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]N[5,5]C[5]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	124.2820	1.014	8	124.2820	1.028	8	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]N[5,5a]C[5]C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]N[5,5a]C[5]C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	125.5800	0.362	2	125.5800	0.131	2	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]N[5,5a]C[5]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]N[5,5a]C[5]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	125.0710	0.000	1	125.0710	0.000	1	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]N[5,6]C[5]C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	C(C[5]N[5,6]C[5]C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	125.3705	0.356	4	125.3705	0.127	4	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]N[5,6]C[5]C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]N[5,6]C[5]C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	124.2705	0.057	2	124.2705	0.003	2	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]N[5,6]C[5]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CC3)	C(C[5]N[5,6]C[5]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CC3)	126.6300	0.775	2	126.6300	0.601	2	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]N[5,6]C[5]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	C(C[5]N[5,6]C[5]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	125.0673	0.771	6	125.0673	0.595	6	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]N[5,6]C[5]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]N[5,6]C[5]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	124.4993	0.809	16	124.4993	0.655	16	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]N[5,6a]C[5]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]N[5,6a]C[5]H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	125.1540	0.311	3	125.1540	0.096	3	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]N[5]2C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]N[5]2C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	124.8494	0.683	7	124.8494	0.467	7	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]N[5]2H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	C(C[5]N[5]2H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	126.2030	0.000	1	126.2030	0.000	1	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]N[5]2H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]N[5]2H)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	125.4430	0.566	2	125.4430	0.320	2	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]N[5]S[5]C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]N[5]S[5]C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	125.0588	0.376	6	125.0588	0.141	6	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]N[5a]C[5]2)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CC3)	C(C[5]N[5a]C[5]2)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CC3)	129.0820	0.000	1	129.0820	0.000	1	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]N[5a]C[5]2)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	C(C[5]N[5a]C[5]2)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCHH)	125.0560	0.000	1	125.0560	0.000	1	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]N[5a]C[5]2)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]N[5a]C[5]2)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	124.8600	0.000	1	124.8600	0.000	1	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]N[6a]C[5]2)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]N[6a]C[5]2)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	125.1030	0.000	1	125.1030	0.000	1	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]O[5]2C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCCH)	C(C[5]O[5]2C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CCCH)	125.9170	0.000	1	125.9170	0.000	1	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]S[5]2C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]S[5]2C)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	125.7015	0.026	2	125.7015	0.001	2	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[5]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[5]Se[5]C[5]Co)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]Se[5]C[5]Co)(OC)(O)	O(CC[5]O)	O(CC[5]O)(CH3)	122.8050	1.465	2	122.8050	2.147	2	124.5094	1.280	2195	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6,6]C[3,6,6]C[6]O[6])(OC)(O)	O(CC[6,6]O)	O(CC[6,6]O)(CCHH)	C(C[6,6]C[3,6,6]C[6]O[6])(OC)(O)	O(CC[6,6]O)	O(CC[6,6]O)(CCHH)	125.0490	0.000	1	125.0490	0.000	1	123.5827	0.949	234	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6,6]C[3x6]2C)(OC)(O)	O(CC[6,6]O)	O(CC[6,6]O)(CH3)	C(C[6,6]C[3x6]2C)(OC)(O)	O(CC[6,6]O)	O(CC[6,6]O)(CH3)	123.6615	1.143	2	123.6615	1.307	2	123.5827	0.949	234	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6,6]C[3x6]C[6,6]C)(OC)(O)	O(CC[6,6]O)	O(CC[6,6]O)(CCHH)	C(C[6,6]C[3x6]C[6,6]C)(OC)(O)	O(CC[6,6]O)	O(CC[6,6]O)(CCHH)	124.5060	0.000	1	124.5060	0.000	1	123.5827	0.949	234	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6,6]C[3x6]C[6,6]C)(OC)(O)	O(CC[6,6]O)	O(CC[6,6]O)(CH3)	C(C[6,6]C[3x6]C[6,6]C)(OC)(O)	O(CC[6,6]O)	O(CC[6,6]O)(CH3)	123.8072	0.449	8	123.8072	0.201	8	123.5827	0.949	234	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6,6]C[3x6]C[6,6]C[5a])(OC)(O)	O(CC[6,6]O)	O(CC[6,6]O)(CH3)	C(C[6,6]C[3x6]C[6,6]C[5a])(OC)(O)	O(CC[6,6]O)	O(CC[6,6]O)(CH3)	123.5634	0.536	8	123.5634	0.287	8	123.5827	0.949	234	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6,6]C[3x6]C[6,6]H)(OC)(O)	O(CC[6,6]O)	O(CC[6,6]O)(CCHH)	C(C[6,6]C[3x6]C[6,6]H)(OC)(O)	O(CC[6,6]O)	O(CC[6,6]O)(CCHH)	123.6937	0.454	11	123.6937	0.206	11	123.5827	0.949	234	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6,6]C[3x6]C[6,6]H)(OC)(O)	O(CC[6,6]O)	O(CC[6,6]O)(CH3)	C(C[6,6]C[3x6]C[6,6]H)(OC)(O)	O(CC[6,6]O)	O(CC[6,6]O)(CH3)	123.2761	0.631	15	123.2761	0.398	15	123.5827	0.949	234	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6,6]C[3x6]C[6,6]N)(OC)(O)	O(CC[6,6]O)	O(CC[6,6]O)(CH3)	C(C[6,6]C[3x6]C[6,6]N)(OC)(O)	O(CC[6,6]O)	O(CC[6,6]O)(CH3)	123.3450	0.000	1	123.3450	0.000	1	123.5827	0.949	234	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6,6]C[3x6]C[6]2)(OC)(O)	O(CC[6,6]O)	O(CC[6,6]O)(CCHH)	C(C[6,6]C[3x6]C[6]2)(OC)(O)	O(CC[6,6]O)	O(CC[6,6]O)(CCHH)	123.0570	0.684	4	123.0570	0.467	4	123.5827	0.949	234	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6,6]C[3x6]C[6]2)(OC)(O)	O(CC[6,6]O)	O(CC[6,6]O)(CH3)	C(C[6,6]C[3x6]C[6]2)(OC)(O)	O(CC[6,6]O)	O(CC[6,6]O)(CH3)	122.1900	0.000	1	122.1900	0.000	1	123.5827	0.949	234	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6,6]C[4x6]C[6,6]H)(OC)(O)	O(CC[6,6]O)	O(CC[6,6]O)(CH3)	C(C[6,6]C[4x6]C[6,6]H)(OC)(O)	O(CC[6,6]O)	O(CC[6,6]O)(CH3)	123.0190	0.365	2	123.0190	0.133	2	123.5827	0.949	234	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6,6]C[5,3x6]C[6,6]H)(OC)(O)	O(CC[6,6]O)	O(CC[6,6]O)(CH3)	C(C[6,6]C[5,3x6]C[6,6]H)(OC)(O)	O(CC[6,6]O)	O(CC[6,6]O)(CH3)	123.0320	0.338	3	123.0320	0.114	3	123.5827	0.949	234	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6,6]C[5,5,6,6]C[6,6]H)(OC)(O)	O(CC[6,6]O)	O(CC[6,6]O)(CH3)	C(C[6,6]C[5,5,6,6]C[6,6]H)(OC)(O)	O(CC[6,6]O)	O(CC[6,6]O)(CH3)	123.1160	0.000	1	123.1160	0.000	1	123.5827	0.949	234	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6,6]C[5,6,6]C[3x6]H)(OC)(O)	O(CC[6,6]O)	O(CC[6,6]O)(CC3)	C(C[6,6]C[5,6,6]C[3x6]H)(OC)(O)	O(CC[6,6]O)	O(CC[6,6]O)(CC3)	126.8180	0.000	1	126.8180	0.000	1	123.5827	0.949	234	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6,6]C[5,6,6]C[3x6]H)(OC)(O)	O(CC[6,6]O)	O(CC[6,6]O)(CCHH)	C(C[6,6]C[5,6,6]C[3x6]H)(OC)(O)	O(CC[6,6]O)	O(CC[6,6]O)(CCHH)	124.2833	0.322	3	124.2833	0.104	3	123.5827	0.949	234	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6,6]C[5,6,6]C[3x6]H)(OC)(O)	O(CC[6,6]O)	O(CC[6,6]O)(CH3)	C(C[6,6]C[5,6,6]C[3x6]H)(OC)(O)	O(CC[6,6]O)	O(CC[6,6]O)(CH3)	123.9565	0.603	4	123.9565	0.364	4	123.5827	0.949	234	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6,6]C[5,6,6]C[6]2)(OC)(O)	O(CC[6,6]O)	O(CC[6,6]O)(CH3)	C(C[6,6]C[5,6,6]C[6]2)(OC)(O)	O(CC[6,6]O)	O(CC[6,6]O)(CH3)	123.2963	1.214	3	123.2963	1.475	3	123.5827	0.949	234	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6,6]C[5,6]C[6,6]C[6])(OC)(O)	O(CC[6,6]O)	O(CC[6,6]O)(CH3)	C(C[6,6]C[5,6]C[6,6]C[6])(OC)(O)	O(CC[6,6]O)	O(CC[6,6]O)(CH3)	122.7470	0.000	1	122.7470	0.000	1	123.5827	0.949	234	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6,6]C[5,6]C[6,6]O[6])(OC)(O)	O(CC[6,6]O)	O(CC[6,6]O)(CH3)	C(C[6,6]C[5,6]C[6,6]O[6])(OC)(O)	O(CC[6,6]O)	O(CC[6,6]O)(CH3)	124.1905	0.224	2	124.1905	0.050	2	123.5827	0.949	234	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6,6]C[5a,6]C[3x6]C[6])(OC)(O)	O(CC[6,6]O)	O(CC[6,6]O)(CH3)	C(C[6,6]C[5a,6]C[3x6]C[6])(OC)(O)	O(CC[6,6]O)	O(CC[6,6]O)(CH3)	123.8290	0.000	1	123.8290	0.000	1	123.5827	0.949	234	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6,6]C[5a,6]C[6,6]C[6])(OC)(O)	O(CC[6,6]O)	O(CC[6,6]O)(CH3)	C(C[6,6]C[5a,6]C[6,6]C[6])(OC)(O)	O(CC[6,6]O)	O(CC[6,6]O)(CH3)	124.1450	0.000	1	124.1450	0.000	1	123.5827	0.949	234	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6,6]C[6,6]2C[6])(OC)(O)	O(CC[6,6]O)	O(CC[6,6]O)(CCHH)	C(C[6,6]C[6,6]2C[6])(OC)(O)	O(CC[6,6]O)	O(CC[6,6]O)(CCHH)	123.0995	0.649	4	123.0995	0.421	4	123.5827	0.949	234	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6,6]C[6,6]2C[6])(OC)(O)	O(CC[6,6]O)	O(CC[6,6]O)(CH3)	C(C[6,6]C[6,6]2C[6])(OC)(O)	O(CC[6,6]O)	O(CC[6,6]O)(CH3)	123.7006	1.020	9	123.7006	1.041	9	123.5827	0.949	234	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6,6]C[6,6]2H)(OC)(O)	O(CC[6,6]O)	O(CC[6,6]O)(CCHH)	C(C[6,6]C[6,6]2H)(OC)(O)	O(CC[6,6]O)	O(CC[6,6]O)(CCHH)	123.6042	0.531	5	123.6042	0.281	5	123.5827	0.949	234	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6,6]C[6,6]2H)(OC)(O)	O(CC[6,6]O)	O(CC[6,6]O)(CH3)	C(C[6,6]C[6,6]2H)(OC)(O)	O(CC[6,6]O)	O(CC[6,6]O)(CH3)	123.6090	1.292	3	123.6090	1.669	3	123.5827	0.949	234	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6,6]C[6,6]C[6]2)(OC)(O)	O(CC[6,6]O)	O(CC[6,6]O)(CC3)	C(C[6,6]C[6,6]C[6]2)(OC)(O)	O(CC[6,6]O)	O(CC[6,6]O)(CC3)	125.5930	0.229	2	125.5930	0.052	2	123.5827	0.949	234	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6,6]C[6,6]C[6]2)(OC)(O)	O(CC[6,6]O)	O(CC[6,6]O)(CCHH)	C(C[6,6]C[6,6]C[6]2)(OC)(O)	O(CC[6,6]O)	O(CC[6,6]O)(CCHH)	122.7812	0.919	11	122.7812	0.844	11	123.5827	0.949	234	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6,6]C[6,6]C[6]2)(OC)(O)	O(CC[6,6]O)	O(CC[6,6]O)(CH3)	C(C[6,6]C[6,6]C[6]2)(OC)(O)	O(CC[6,6]O)	O(CC[6,6]O)(CH3)	123.5080	0.981	116	123.5080	0.963	116	123.5827	0.949	234	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6,6]C[6,6]C[6]N[6])(OC)(O)	O(CC[6,6]O)	O(CC[6,6]O)(CH3)	C(C[6,6]C[6,6]C[6]N[6])(OC)(O)	O(CC[6,6]O)	O(CC[6,6]O)(CH3)	123.9640	0.000	1	123.9640	0.000	1	123.5827	0.949	234	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6,6]C[6,6]C[6]O[6])(OC)(O)	O(CC[6,6]O)	O(CC[6,6]O)(CCHH)	C(C[6,6]C[6,6]C[6]O[6])(OC)(O)	O(CC[6,6]O)	O(CC[6,6]O)(CCHH)	125.1770	0.000	1	125.1770	0.000	1	123.5827	0.949	234	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6,6]C[6,6]C[6]O[6])(OC)(O)	O(CC[6,6]O)	O(CC[6,6]O)(CH3)	C(C[6,6]C[6,6]C[6]O[6])(OC)(O)	O(CC[6,6]O)	O(CC[6,6]O)(CH3)	124.6737	0.696	3	124.6737	0.484	3	123.5827	0.949	234	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6,6]C[6,6]N[6]O[6])(OC)(O)	O(CC[6,6]O)	O(CC[6,6]O)(CCHH)	C(C[6,6]C[6,6]N[6]O[6])(OC)(O)	O(CC[6,6]O)	O(CC[6,6]O)(CCHH)	126.7180	0.000	1	126.7180	0.000	1	123.5827	0.949	234	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6,6]C[6,6]O[6]2)(OC)(O)	O(CC[6,6]O)	O(CC[6,6]O)(CH3)	C(C[6,6]C[6,6]O[6]2)(OC)(O)	O(CC[6,6]O)	O(CC[6,6]O)(CH3)	126.2460	0.000	1	126.2460	0.000	1	123.5827	0.949	234	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6,6]C[6,6a]C[6,6]C[6])(OC)(O)	O(CC[6,6]O)	O(CC[6,6]O)(CH3)	C(C[6,6]C[6,6a]C[6,6]C[6])(OC)(O)	O(CC[6,6]O)	O(CC[6,6]O)(CH3)	123.2510	0.000	1	123.2510	0.000	1	123.5827	0.949	234	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6,6]N[3x6]P[3x6]H)(OC)(O)	O(CC[6,6]O)	O(CC[6,6]O)(CH3)	C(C[6,6]N[3x6]P[3x6]H)(OC)(O)	O(CC[6,6]O)	O(CC[6,6]O)(CH3)	124.1340	0.000	1	124.1340	0.000	1	123.5827	0.949	234	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6,6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6,6]O[6,6]C[6]O[6])(OC)(O)	O(CC[6,6]O)	O(CC[6,6]O)(CCHH)	C(C[6,6]O[6,6]C[6]O[6])(OC)(O)	O(CC[6,6]O)	O(CC[6,6]O)(CCHH)	125.4660	0.000	1	125.4660	0.000	1	123.5827	0.949	234	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[3,6]C[6]H)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	C(C[6]C[3,6]C[6]H)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	125.5710	0.000	1	125.5710	0.000	1	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[3,6]C[6]H)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	C(C[6]C[3,6]C[6]H)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	122.1750	0.000	1	122.1750	0.000	1	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[3]C[6]2)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	C(C[6]C[3]C[6]2)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	123.2740	0.000	1	123.2740	0.000	1	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[3x6]C[6]H)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	C(C[6]C[3x6]C[6]H)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	124.2230	0.000	1	124.2230	0.000	1	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[3x6]C[6]H)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	C(C[6]C[3x6]C[6]H)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	122.5290	0.047	2	122.5290	0.002	2	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[4,6]C[6]C)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CC3)	C(C[6]C[4,6]C[6]C)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CC3)	124.1175	0.411	2	124.1175	0.169	2	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[4x6]C[6]C)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	C(C[6]C[4x6]C[6]C)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	124.0925	0.691	2	124.0925	0.477	2	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[5,5,6]C[6]H)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	C(C[6]C[5,5,6]C[6]H)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	123.2235	1.257	2	123.2235	1.579	2	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[5,6,6]C[6,6]H)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	C(C[6]C[5,6,6]C[6,6]H)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	122.4770	0.000	1	122.4770	0.000	1	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[5,6]2C)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	C(C[6]C[5,6]2C)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	124.5380	0.000	1	124.5380	0.000	1	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[5,6]2C)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	C(C[6]C[5,6]2C)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	123.8120	0.000	1	123.8120	0.000	1	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[5,6]2H)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CC3)	C(C[6]C[5,6]2H)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CC3)	127.3907	0.566	3	127.3907	0.321	3	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[5,6]2H)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	C(C[6]C[5,6]2H)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	123.8485	0.781	2	123.8485	0.611	2	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[5,6]C[5]C[6])(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	C(C[6]C[5,6]C[5]C[6])(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	123.2080	0.000	1	123.2080	0.000	1	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[5,6]C[6,6]C)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	C(C[6]C[5,6]C[6,6]C)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	122.9380	0.000	1	122.9380	0.000	1	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[5,6]C[6,6]H)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	C(C[6]C[5,6]C[6,6]H)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	123.3495	0.013	2	123.3495	0.000	2	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[5,6]C[6,6]H)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	C(C[6]C[5,6]C[6,6]H)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	123.2430	0.474	7	123.2430	0.225	7	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[5,6]C[6,6]O)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	C(C[6]C[5,6]C[6,6]O)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	125.1750	0.000	1	125.1750	0.000	1	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[5,6]C[6]C)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CC3)	C(C[6]C[5,6]C[6]C)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CC3)	126.1460	0.109	2	126.1460	0.012	2	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[5,6]C[6]C)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	C(C[6]C[5,6]C[6]C)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	124.3457	0.738	9	124.3457	0.545	9	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[5,6]C[6]C)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	C(C[6]C[5,6]C[6]C)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	123.8263	0.785	35	123.8263	0.616	35	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[5,6]C[6]Fe)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	C(C[6]C[5,6]C[6]Fe)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	123.0840	0.000	1	123.0840	0.000	1	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[5,6]C[6]H)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CC3)	C(C[6]C[5,6]C[6]H)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CC3)	125.6620	1.577	8	125.6620	2.488	8	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[5,6]C[6]H)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	C(C[6]C[5,6]C[6]H)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	123.9231	0.938	39	123.9231	0.880	39	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[5,6]C[6]H)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	C(C[6]C[5,6]C[6]H)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	123.3301	0.625	47	123.3301	0.390	47	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[5,6]C[6]N)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	C(C[6]C[5,6]C[6]N)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	125.3540	0.000	1	125.3540	0.000	1	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[5,6]C[6]O)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	C(C[6]C[5,6]C[6]O)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	124.3024	0.891	7	124.3024	0.794	7	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[5,6]C[6]O)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	C(C[6]C[5,6]C[6]O)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	123.9202	0.641	13	123.9202	0.411	13	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[5,6]C[6a]C[6])(OC)(O)	O(CC[6]O)	O(CC[6]O)(CC3)	C(C[6]C[5,6]C[6a]C[6])(OC)(O)	O(CC[6]O)	O(CC[6]O)(CC3)	126.0720	0.000	1	126.0720	0.000	1	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[5,6]N[6]H)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	C(C[6]C[5,6]N[6]H)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	125.0320	0.820	5	125.0320	0.672	5	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[5,6]O[6]H)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	C(C[6]C[5,6]O[6]H)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	124.6410	0.000	1	124.6410	0.000	1	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[5,6]S[6]C)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	C(C[6]C[5,6]S[6]C)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	124.4783	0.164	3	124.4783	0.027	3	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[5,6]S[6]H)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	C(C[6]C[5,6]S[6]H)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	125.4260	0.000	1	125.4260	0.000	1	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[5]C[6]O[6])(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	C(C[6]C[5]C[6]O[6])(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	125.5576	0.199	5	125.5576	0.039	5	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[5a,6]C[5,6]H)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	C(C[6]C[5a,6]C[5,6]H)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	124.5063	0.448	6	124.5063	0.201	6	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[5a,6]C[6,6]C)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CC3)	C(C[6]C[5a,6]C[6,6]C)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CC3)	126.6055	0.445	2	126.6055	0.198	2	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[5a,6]C[6,6]H)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	C(C[6]C[5a,6]C[6,6]H)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	122.8918	1.860	4	122.8918	3.458	4	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[5a,6]C[6]C)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	C(C[6]C[5a,6]C[6]C)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	124.1615	0.431	2	124.1615	0.185	2	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[5a,6]C[6]C)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	C(C[6]C[5a,6]C[6]C)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	123.5995	0.353	4	123.5995	0.125	4	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[5a,6]C[6]H)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	C(C[6]C[5a,6]C[6]H)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	123.9306	0.609	16	123.9306	0.370	16	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[5a,6]C[6]H)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	C(C[6]C[5a,6]C[6]H)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	123.7110	1.366	4	123.7110	1.865	4	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[5a,6]C[6]N)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	C(C[6]C[5a,6]C[6]N)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	124.9120	0.000	1	124.9120	0.000	1	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[5a,6]C[6a]C[6])(OC)(O)	O(CC[6]O)	O(CC[6]O)(CC3)	C(C[6]C[5a,6]C[6a]C[6])(OC)(O)	O(CC[6]O)	O(CC[6]O)(CC3)	124.8430	0.090	4	124.8430	0.008	4	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[5a,6]C[6a]C[6])(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	C(C[6]C[5a,6]C[6a]C[6])(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	123.6487	0.569	3	123.6487	0.323	3	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[5a,6]N[6]H)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	C(C[6]C[5a,6]N[6]H)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	124.6940	0.000	1	124.6940	0.000	1	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[5a]C[6]2)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	C(C[6]C[5a]C[6]2)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	123.8780	0.000	1	123.8780	0.000	1	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[5a]C[6]N[6])(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	C(C[6]C[5a]C[6]N[6])(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	126.4450	0.000	1	126.4450	0.000	1	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[6,6]2H)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	C(C[6]C[6,6]2H)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	122.6520	0.000	1	122.6520	0.000	1	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[6,6]C[5a]C[6])(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	C(C[6]C[6,6]C[5a]C[6])(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	122.9193	0.305	6	122.9193	0.093	6	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[6,6]C[6]C)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCCH)	C(C[6]C[6,6]C[6]C)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCCH)	121.6920	0.000	1	121.6920	0.000	1	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[6,6]C[6]C)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	C(C[6]C[6,6]C[6]C)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	123.2568	1.849	9	123.2568	3.419	9	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[6,6]C[6]C)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	C(C[6]C[6,6]C[6]C)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	123.0052	1.131	64	123.0052	1.279	64	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[6,6]C[6]H)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	C(C[6]C[6,6]C[6]H)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	123.9818	0.449	10	123.9818	0.202	10	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[6,6]C[6]H)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	C(C[6]C[6,6]C[6]H)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	123.2976	0.697	45	123.2976	0.486	45	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[6,6]C[6]O)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	C(C[6]C[6,6]C[6]O)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	124.0630	1.103	5	124.0630	1.218	5	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[6,6]C[6]S)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	C(C[6]C[6,6]C[6]S)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	124.2020	0.000	1	124.2020	0.000	1	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[6,6]N[5,6]H)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	C(C[6]C[6,6]N[5,6]H)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	124.5450	0.628	2	124.5450	0.394	2	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[6,6]N[6]H)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	C(C[6]C[6,6]N[6]H)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	124.1950	1.329	2	124.1950	1.767	2	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[6,6]N[6]H)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	C(C[6]C[6,6]N[6]H)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	124.2180	0.066	2	124.2180	0.004	2	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[6,6]N[6]O)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	C(C[6]C[6,6]N[6]O)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	123.8740	0.000	1	123.8740	0.000	1	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[6,6]O[6]C)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	C(C[6]C[6,6]O[6]C)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	126.1870	1.067	4	126.1870	1.138	4	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[6,6]O[6]H)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	C(C[6]C[6,6]O[6]H)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	125.9180	0.000	1	125.9180	0.000	1	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[6,6]S[6]H)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	C(C[6]C[6,6]S[6]H)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	124.7650	0.000	1	124.7650	0.000	1	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[6,6a]2C)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	C(C[6]C[6,6a]2C)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	123.5227	0.510	6	123.5227	0.260	6	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[6,6a]2C[6])(OC)(O)	O(CC[6]O)	O(CC[6]O)(CC3)	C(C[6]C[6,6a]2C[6])(OC)(O)	O(CC[6]O)	O(CC[6]O)(CC3)	125.1990	0.000	1	125.1990	0.000	1	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[6,6a]2C[6])(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCCH)	C(C[6]C[6,6a]2C[6])(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCCH)	123.6470	0.000	1	123.6470	0.000	1	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[6,6a]2C[6])(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	C(C[6]C[6,6a]2C[6])(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	123.0430	0.000	1	123.0430	0.000	1	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[6,6a]2C[6])(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	C(C[6]C[6,6a]2C[6])(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	122.8910	0.000	1	122.8910	0.000	1	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[6,6a]2H)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	C(C[6]C[6,6a]2H)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	123.9030	0.206	2	123.9030	0.043	2	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[6,6a]C[5,6]C)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	C(C[6]C[6,6a]C[5,6]C)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	123.9580	0.712	4	123.9580	0.507	4	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[6,6a]C[5,6]H)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	C(C[6]C[6,6a]C[5,6]H)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	124.5180	0.000	1	124.5180	0.000	1	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[6,6a]C[5,6]H)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	C(C[6]C[6,6a]C[5,6]H)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	123.8613	0.318	3	123.8613	0.101	3	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[6,6a]C[5a]N[6])(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	C(C[6]C[6,6a]C[5a]N[6])(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	126.2810	0.000	1	126.2810	0.000	1	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[6,6a]C[6,6]H)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	C(C[6]C[6,6a]C[6,6]H)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	124.2110	0.000	1	124.2110	0.000	1	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[6,6a]C[6]C)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	C(C[6]C[6,6a]C[6]C)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	124.2499	0.754	7	124.2499	0.568	7	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[6,6a]C[6]C)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	C(C[6]C[6,6a]C[6]C)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	123.7651	0.721	20	123.7651	0.520	20	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[6,6a]C[6]Cl)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	C(C[6]C[6,6a]C[6]Cl)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	124.2360	0.000	1	124.2360	0.000	1	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[6,6a]C[6]H)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CC3)	C(C[6]C[6,6a]C[6]H)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CC3)	126.0750	0.000	1	126.0750	0.000	1	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[6,6a]C[6]H)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCCH)	C(C[6]C[6,6a]C[6]H)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCCH)	124.8710	0.000	1	124.8710	0.000	1	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[6,6a]C[6]H)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	C(C[6]C[6,6a]C[6]H)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	123.4465	1.074	2	123.4465	1.154	2	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[6,6a]C[6]H)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	C(C[6]C[6,6a]C[6]H)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	124.1766	0.639	12	124.1766	0.408	12	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[6,6a]C[6]N)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	C(C[6]C[6,6a]C[6]N)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	124.3010	0.750	3	124.3010	0.563	3	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[6,6a]C[6]O)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	C(C[6]C[6,6a]C[6]O)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	125.0520	0.000	1	125.0520	0.000	1	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[6,6a]C[6]O)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	C(C[6]C[6,6a]C[6]O)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	124.3312	0.792	8	124.3312	0.627	8	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[6,6a]C[6a]C[6])(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	C(C[6]C[6,6a]C[6a]C[6])(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	120.7150	0.000	1	120.7150	0.000	1	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[6,6a]C[6a]N[6])(OC)(O)	O(CC[6]O)	O(CC[6]O)(CC3)	C(C[6]C[6,6a]C[6a]N[6])(OC)(O)	O(CC[6]O)	O(CC[6]O)(CC3)	127.4910	0.000	1	127.4910	0.000	1	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[6,6a]C[6a]N[6])(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	C(C[6]C[6,6a]C[6a]N[6])(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	125.0190	0.492	2	125.0190	0.242	2	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[6,6a]C[6a]N[6])(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	C(C[6]C[6,6a]C[6a]N[6])(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	124.9087	0.200	4	124.9087	0.040	4	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[6,6a]N[6]C)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	C(C[6]C[6,6a]N[6]C)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	125.0845	0.695	2	125.0845	0.483	2	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[6,6a]N[6]H)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	C(C[6]C[6,6a]N[6]H)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	123.6210	0.826	2	123.6210	0.682	2	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[6,6a]O[6]H)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	C(C[6]C[6,6a]O[6]H)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	125.5710	0.000	1	125.5710	0.000	1	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[6]2Br)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCCH)	C(C[6]C[6]2Br)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCCH)	120.6585	5.246	2	120.6585	27.521	2	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[6]2Br)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	C(C[6]C[6]2Br)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	125.3027	0.721	3	125.3027	0.519	3	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[6]2C)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CC3)	C(C[6]C[6]2C)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CC3)	125.9752	0.495	10	125.9752	0.245	10	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[6]2C)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCCH)	C(C[6]C[6]2C)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCCH)	122.2496	2.970	10	122.2496	8.819	10	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[6]2C)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	C(C[6]C[6]2C)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	123.9914	0.874	58	123.9914	0.764	58	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[6]2C)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	C(C[6]C[6]2C)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	123.7443	0.899	144	123.7443	0.809	144	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[6]2Cl)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	C(C[6]C[6]2Cl)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	124.0410	0.000	1	124.0410	0.000	1	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[6]2Cl)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	C(C[6]C[6]2Cl)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	125.3765	1.491	2	125.3765	2.224	2	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[6]2Cr)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	C(C[6]C[6]2Cr)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	124.6800	0.000	1	124.6800	0.000	1	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[6]2F)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CC3)	C(C[6]C[6]2F)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CC3)	127.5075	0.167	4	127.5075	0.028	4	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[6]2F)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	C(C[6]C[6]2F)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	125.4860	0.825	4	125.4860	0.680	4	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[6]2F)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	C(C[6]C[6]2F)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	125.7770	0.270	5	125.7770	0.073	5	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[6]2H)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CC3)	C(C[6]C[6]2H)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CC3)	125.4401	0.775	17	125.4401	0.601	17	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[6]2H)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCCH)	C(C[6]C[6]2H)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCCH)	123.9150	0.753	3	123.9150	0.568	3	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[6]2H)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	C(C[6]C[6]2H)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	124.1859	0.880	77	124.1859	0.774	77	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[6]2H)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	C(C[6]C[6]2H)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	123.5718	0.837	109	123.5718	0.700	109	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[6]2N)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	C(C[6]C[6]2N)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	125.6029	0.913	8	125.6029	0.834	8	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[6]2N)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	C(C[6]C[6]2N)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	124.5206	0.873	14	124.5206	0.762	14	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[6]2O)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CC3)	C(C[6]C[6]2O)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CC3)	126.8580	0.071	2	126.8580	0.005	2	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[6]2O)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	C(C[6]C[6]2O)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	124.1460	0.000	1	124.1460	0.000	1	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[6]2O)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	C(C[6]C[6]2O)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	124.0673	0.560	12	124.0673	0.314	12	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[6]2Ru)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	C(C[6]C[6]2Ru)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	120.3210	0.000	1	120.3210	0.000	1	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[6]2Ru)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	C(C[6]C[6]2Ru)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	124.1963	0.601	3	124.1963	0.362	3	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[6]2S)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	C(C[6]C[6]2S)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	125.0637	0.465	3	125.0637	0.216	3	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[6]2S)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	C(C[6]C[6]2S)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	124.9450	0.000	1	124.9450	0.000	1	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[6]2S[6])(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	C(C[6]C[6]2S[6])(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	125.4860	0.000	1	125.4860	0.000	1	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[6]N[6]C)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	C(C[6]C[6]N[6]C)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	125.5170	0.774	9	125.5170	0.599	9	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[6]N[6]C)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	C(C[6]C[6]N[6]C)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	124.1923	0.499	15	124.1923	0.249	15	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[6]N[6]H)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CC3)	C(C[6]C[6]N[6]H)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CC3)	126.2705	0.155	2	126.2705	0.024	2	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[6]N[6]H)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCCH)	C(C[6]C[6]N[6]H)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCCH)	124.1870	0.199	2	124.1870	0.040	2	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[6]N[6]H)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	C(C[6]C[6]N[6]H)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	124.5378	0.797	20	124.5378	0.636	20	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[6]N[6]H)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	C(C[6]C[6]N[6]H)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	124.0581	0.778	54	124.0581	0.605	54	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[6]N[6]N)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	C(C[6]C[6]N[6]N)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	124.8110	0.000	1	124.8110	0.000	1	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[6]N[6]O)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	C(C[6]C[6]N[6]O)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	125.9455	0.788	2	125.9455	0.622	2	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[6]N[6]S)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	C(C[6]C[6]N[6]S)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	125.6570	0.000	1	125.6570	0.000	1	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[6]O[6]C)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CC3)	C(C[6]C[6]O[6]C)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CC3)	127.6970	0.617	2	127.6970	0.380	2	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[6]O[6]C)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	C(C[6]C[6]O[6]C)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	124.9084	0.957	9	124.9084	0.917	9	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[6]O[6]C)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	C(C[6]C[6]O[6]C)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	125.2878	0.853	11	125.2878	0.728	11	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[6]O[6]H)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	C(C[6]C[6]O[6]H)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	125.4508	0.975	11	125.4508	0.950	11	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[6]O[6]H)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	C(C[6]C[6]O[6]H)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	124.9049	0.655	13	124.9049	0.429	13	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[6]O[6]N)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	C(C[6]C[6]O[6]N)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	125.1090	0.000	1	125.1090	0.000	1	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[6]O[6]N)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	C(C[6]C[6]O[6]N)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	125.1792	1.147	4	125.1792	1.315	4	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[6]O[6]O)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	C(C[6]C[6]O[6]O)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	125.6161	0.757	7	125.6161	0.572	7	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[6]O[6]O)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	C(C[6]C[6]O[6]O)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	125.0175	1.024	10	125.0175	1.048	10	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[6]O[6]S)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	C(C[6]C[6]O[6]S)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	125.7370	0.000	1	125.7370	0.000	1	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[6]S[6]H)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	C(C[6]C[6]S[6]H)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	125.1942	0.793	10	125.1942	0.629	10	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[6]S[6]H)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	C(C[6]C[6]S[6]H)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	124.5430	1.083	3	124.5430	1.174	3	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[6]S[6]S)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCCH)	C(C[6]C[6]S[6]S)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCCH)	125.0630	0.000	1	125.0630	0.000	1	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[6a]C[6]2)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CC3)	C(C[6]C[6a]C[6]2)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CC3)	125.8450	0.000	1	125.8450	0.000	1	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[6a]C[6]2)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	C(C[6]C[6a]C[6]2)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	124.4060	0.000	1	124.4060	0.000	1	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[6a]C[6]2)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	C(C[6]C[6a]C[6]2)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	123.7371	0.790	12	123.7371	0.624	12	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[6a]C[6]N[6])(OC)(O)	O(CC[6]O)	O(CC[6]O)(CC3)	C(C[6]C[6a]C[6]N[6])(OC)(O)	O(CC[6]O)	O(CC[6]O)(CC3)	125.5360	0.000	1	125.5360	0.000	1	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[6a]C[6]N[6])(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	C(C[6]C[6a]C[6]N[6])(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	124.8095	1.176	4	124.8095	1.383	4	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[6a]C[6]O[6])(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	C(C[6]C[6a]C[6]O[6])(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	123.3614	0.626	5	123.3614	0.392	5	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]C[6a]N[6]O[6])(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	C(C[6]C[6a]N[6]O[6])(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	125.5080	0.000	1	125.5080	0.000	1	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]N[3,6]C[6a]C[6])(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	C(C[6]N[3,6]C[6a]C[6])(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	122.7910	0.000	1	122.7910	0.000	1	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]N[4,6]C[6]H)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	C(C[6]N[4,6]C[6]H)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	124.5990	0.000	1	124.5990	0.000	1	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]N[5,6]C[6]H)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CC3)	C(C[6]N[5,6]C[6]H)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CC3)	125.1330	0.000	1	125.1330	0.000	1	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]N[5,6]C[6]H)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	C(C[6]N[5,6]C[6]H)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	124.1782	0.648	6	124.1782	0.421	6	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]N[5,6]P[6]H)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	C(C[6]N[5,6]P[6]H)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	124.9730	0.000	1	124.9730	0.000	1	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]N[5a,6]C[5,6]H)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	C(C[6]N[5a,6]C[5,6]H)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	124.6435	0.402	2	124.6435	0.162	2	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]N[5a,6]C[6]H)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	C(C[6]N[5a,6]C[6]H)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	124.1705	1.268	2	124.1705	1.607	2	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]N[5a,6]C[6]O)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	C(C[6]N[5a,6]C[6]O)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	124.2160	0.000	1	124.2160	0.000	1	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]N[6,6]C[6]H)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	C(C[6]N[6,6]C[6]H)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	124.6877	0.545	4	124.6877	0.297	4	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]N[6]2C)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	C(C[6]N[6]2C)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	125.9260	0.245	4	125.9260	0.060	4	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]N[6]2C)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	C(C[6]N[6]2C)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	125.5690	0.000	1	125.5690	0.000	1	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]N[6]O[6]H)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	C(C[6]N[6]O[6]H)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CCHH)	124.9340	0.000	1	124.9340	0.000	1	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	C[6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(C[6]Si[6]C[6]H)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	C(C[6]Si[6]C[6]H)(OC)(O)	O(CC[6]O)	O(CC[6]O)(CH3)	123.1700	0.000	1	123.1700	0.000	1	124.0764	1.413	1241	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	3:4:	Si[3x6]-4:O-2:O-1:	C-3:	C-3:C-4:	C(Si[3x6]Si[6,6]3)(OC)(O)	O(CSi[3x6]O)	O(CSi[3x6]O)(CH3)	C(Si[3x6]Si[6,6]3)(OC)(O)	O(CSi[3x6]O)	O(CSi[3x6]O)(CH3)	121.5470	0.000	1	121.5470	0.000	1	121.5470	0.000	1	124.3185	1.476	4825	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	B-4:O-2:O-1:	C-3:	B-4:C-3:	C(BC[6a]C[5]2)(OB)(O)	O(CBO)	O(BC3)(CBO)	C(BC[6a]C[5]2)(OB)(O)	O(CBO)	O(BC3)(CBO)	124.3900	0.000	1	124.3900	0.000	1	124.3900	0.000	1	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	B-4:O-2:O-1:	C-3:	C-4:C-3:	C(BCHP)(OC)(O)	O(CBO)	O(CH3)(CBO)	C(BCHP)(OC)(O)	O(CBO)	O(CH3)(CBO)	121.2060	0.000	1	121.2060	0.000	1	121.2060	0.000	1	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	B-4:C-3:	C(CCHH)(OB)(O)	O(CCO)	O(BC[6a]2N)(CCO)	C(CCHH)(OB)(O)	O(CCO)	O(BC[6a]2N)(CCO)	123.3420	0.549	3	123.3420	0.302	3	123.7155	2.267	11	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	B-4:C-3:	C(CCHH)(OB)(O)	O(CCO)	O(BC[6a]3)(CCO)	C(CCHH)(OB)(O)	O(CCO)	O(BC[6a]3)(CCO)	124.5478	0.391	4	124.5478	0.153	4	123.7155	2.267	11	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	B-4:C-3:	C(CClHH)(OB)(O)	O(CCO)	O(BHHN)(CCO)	C(CClHH)(OB)(O)	O(CCO)	O(BHHN)(CCO)	125.5590	0.000	1	125.5590	0.000	1	123.7155	2.267	11	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	B-4:C-3:	C(CH3)(OB)(O)	O(CCO)	O(BC[6a]3)(CCO)	C(CH3)(OB)(O)	O(CCO)	O(BC[6a]3)(CCO)	119.8560	0.000	1	119.8560	0.000	1	123.7155	2.267	11	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	B-4:C-3:	C(CH3)(OB)(O)	O(CCO)	O(BN[5]3)(CCO)	C(CH3)(OB)(O)	O(CCO)	O(BN[5]3)(CCO)	123.6195	0.332	2	123.6195	0.110	2	123.7155	2.267	11	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CBCH)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CBCH)(OC)(O)	O(CCO)	O(CH3)(CCO)	121.4870	0.631	6	121.4870	0.398	6	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CB[3]RuC)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CB[3]RuC)(OC)(O)	O(CCO)	O(CH3)(CCO)	120.6170	0.000	1	120.6170	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CB[4x3,4,5x5,21x6]CoC)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CB[4x3,4,5x5,21x6]CoC)(OC)(O)	O(CCO)	O(CH3)(CCO)	123.5090	0.000	1	123.5090	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CB[4x3,4,5x5,21x6]CoH)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CB[4x3,4,5x5,21x6]CoH)(OC)(O)	O(CCO)	O(CCHH)(CCO)	121.2730	0.000	1	121.2730	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CBrCC)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CBrCC)(OC)(O)	O(CCO)	O(CCHH)(CCO)	124.2173	0.640	3	124.2173	0.410	3	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CBrCC)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CBrCC)(OC)(O)	O(CCO)	O(CH3)(CCO)	124.8160	0.000	1	124.8160	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CBrCF)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CBrCF)(OC)(O)	O(CCO)	O(CCHH)(CCO)	127.1080	0.000	1	127.1080	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CBrCH)(OC)(O)	O(CCO)	O(CCCH)(CCO)	C(CBrCH)(OC)(O)	O(CCO)	O(CCCH)(CCO)	122.7760	0.000	1	122.7760	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CBrCH)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CBrCH)(OC)(O)	O(CCO)	O(CH3)(CCO)	126.0380	0.000	1	126.0380	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CBrHH)(OC)(O)	O(CCO)	O(CCCH)(CCO)	C(CBrHH)(OC)(O)	O(CCO)	O(CCCH)(CCO)	125.5290	0.000	1	125.5290	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CBrHH)(OC)(O)	O(CCO)	O(CC[6a]HH)(CCO)	C(CBrHH)(OC)(O)	O(CCO)	O(CC[6a]HH)(CCO)	124.3490	0.000	1	124.3490	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CBrPdC)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CBrPdC)(OC)(O)	O(CCO)	O(CH3)(CCO)	124.2900	0.000	1	124.2900	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC3)(OC)(O)	O(CCO)	O(CC3)(CCO)	C(CC3)(OC)(O)	O(CCO)	O(CC3)(CCO)	125.7219	1.747	14	125.7219	3.052	14	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC3)(OC)(O)	O(CCO)	O(CCCH)(CCO)	C(CC3)(OC)(O)	O(CCO)	O(CCCH)(CCO)	124.1070	1.069	3	124.1070	1.144	3	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC3)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CC3)(OC)(O)	O(CCO)	O(CCHH)(CCO)	124.3546	1.050	52	124.3546	1.102	52	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC3)(OC)(O)	O(CCO)	O(CC[4,6]HH)(CCO)	C(CC3)(OC)(O)	O(CCO)	O(CC[4,6]HH)(CCO)	123.7340	0.000	1	123.7340	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC3)(OC)(O)	O(CCO)	O(CC[5]HH)(CCO)	C(CC3)(OC)(O)	O(CCO)	O(CC[5]HH)(CCO)	121.9775	0.645	6	121.9775	0.416	6	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC3)(OC)(O)	O(CCO)	O(CC[6]CH)(CCO)	C(CC3)(OC)(O)	O(CCO)	O(CC[6]CH)(CCO)	123.0410	0.157	2	123.0410	0.025	2	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC3)(OC)(O)	O(CCO)	O(CC[6]HH)(CCO)	C(CC3)(OC)(O)	O(CCO)	O(CC[6]HH)(CCO)	122.8698	0.932	5	122.8698	0.869	5	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC3)(OC)(O)	O(CCO)	O(CC[6a]HH)(CCO)	C(CC3)(OC)(O)	O(CCO)	O(CC[6a]HH)(CCO)	123.9510	0.733	5	123.9510	0.537	5	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC3)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CC3)(OC)(O)	O(CCO)	O(CH3)(CCO)	123.7928	0.881	92	123.7928	0.776	92	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC3)(OC)(O)	O(CCO)	O(CHHO)(CCO)	C(CC3)(OC)(O)	O(CCO)	O(CHHO)(CCO)	121.9753	0.899	6	121.9753	0.808	6	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC3)(OC)(O)	O(CCO)	O(CN[5]HH)(CCO)	C(CC3)(OC)(O)	O(CCO)	O(CN[5]HH)(CCO)	120.9490	0.000	1	120.9490	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC3)(OC)(O)	O(CCO)	O(CN[5a]HH)(CCO)	C(CC3)(OC)(O)	O(CCO)	O(CN[5a]HH)(CCO)	120.6960	0.291	2	120.6960	0.085	2	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC3)(OC)(O)	O(CCO)	O(CN[6a]HH)(CCO)	C(CC3)(OC)(O)	O(CCO)	O(CN[6a]HH)(CCO)	122.8810	0.000	1	122.8810	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CCCF)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CCCF)(OC)(O)	O(CCO)	O(CCHH)(CCO)	126.2810	0.850	2	126.2810	0.722	2	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CCCF)(OC)(O)	O(CCO)	O(CC[5]CH)(CCO)	C(CCCF)(OC)(O)	O(CCO)	O(CC[5]CH)(CCO)	125.8740	0.000	1	125.8740	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CCCF)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CCCF)(OC)(O)	O(CCO)	O(CH3)(CCO)	126.0771	0.632	14	126.0771	0.399	14	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CCCH)(OC)(O)	O(CCO)	O(CC3)(CCO)	C(CCCH)(OC)(O)	O(CCO)	O(CC3)(CCO)	125.2690	1.011	18	125.2690	1.023	18	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CCCH)(OC)(O)	O(CCO)	O(CCCH)(CCO)	C(CCCH)(OC)(O)	O(CCO)	O(CCCH)(CCO)	123.4290	1.686	20	123.4290	2.844	20	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CCCH)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CCCH)(OC)(O)	O(CCO)	O(CCHH)(CCO)	124.4012	0.835	117	124.4012	0.698	117	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CCCH)(OC)(O)	O(CCO)	O(CC[5]2H)(CCO)	C(CCCH)(OC)(O)	O(CCO)	O(CC[5]2H)(CCO)	123.6000	0.000	1	123.6000	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CCCH)(OC)(O)	O(CCO)	O(CC[5]CH)(CCO)	C(CCCH)(OC)(O)	O(CCO)	O(CC[5]CH)(CCO)	123.2447	0.555	20	123.2447	0.308	20	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CCCH)(OC)(O)	O(CCO)	O(CC[5a]HH)(CCO)	C(CCCH)(OC)(O)	O(CCO)	O(CC[5a]HH)(CCO)	118.8860	0.000	1	118.8860	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CCCH)(OC)(O)	O(CCO)	O(CC[6]2H)(CCO)	C(CCCH)(OC)(O)	O(CCO)	O(CC[6]2H)(CCO)	122.6465	0.210	2	122.6465	0.044	2	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CCCH)(OC)(O)	O(CCO)	O(CC[6]CH)(CCO)	C(CCCH)(OC)(O)	O(CCO)	O(CC[6]CH)(CCO)	123.6150	0.000	1	123.6150	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CCCH)(OC)(O)	O(CCO)	O(CC[6a]CH)(CCO)	C(CCCH)(OC)(O)	O(CCO)	O(CC[6a]CH)(CCO)	123.2937	1.162	3	123.2937	1.351	3	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CCCH)(OC)(O)	O(CCO)	O(CC[6a]HH)(CCO)	C(CCCH)(OC)(O)	O(CCO)	O(CC[6a]HH)(CCO)	123.4493	0.787	6	123.4493	0.619	6	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CCCH)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CCCH)(OC)(O)	O(CCO)	O(CH3)(CCO)	124.0517	1.207	117	124.0517	1.458	117	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CCCH)(OC)(O)	O(CCO)	O(CHHO)(CCO)	C(CCCH)(OC)(O)	O(CCO)	O(CHHO)(CCO)	123.8230	0.000	1	123.8230	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CCCN)(OC)(O)	O(CCO)	O(CC3)(CCO)	C(CCCN)(OC)(O)	O(CCO)	O(CC3)(CCO)	125.7939	0.885	14	125.7939	0.784	14	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CCCN)(OC)(O)	O(CCO)	O(CCCH)(CCO)	C(CCCN)(OC)(O)	O(CCO)	O(CCCH)(CCO)	124.0937	0.812	3	124.0937	0.659	3	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CCCN)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CCCN)(OC)(O)	O(CCO)	O(CCHH)(CCO)	123.3137	2.745	18	123.3137	7.534	18	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CCCN)(OC)(O)	O(CCO)	O(CC[6a]HH)(CCO)	C(CCCN)(OC)(O)	O(CCO)	O(CC[6a]HH)(CCO)	123.7150	0.443	4	123.7150	0.196	4	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CCCN)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CCCN)(OC)(O)	O(CCO)	O(CH3)(CCO)	124.0606	0.911	101	124.0606	0.829	101	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CCCO)(OC)(O)	O(CCO)	O(CC3)(CCO)	C(CCCO)(OC)(O)	O(CCO)	O(CC3)(CCO)	126.0764	1.877	9	126.0764	3.522	9	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CCCO)(OC)(O)	O(CCO)	O(CCCH)(CCO)	C(CCCO)(OC)(O)	O(CCO)	O(CCCH)(CCO)	125.2332	0.733	4	125.2332	0.537	4	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CCCO)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CCCO)(OC)(O)	O(CCO)	O(CCHH)(CCO)	125.7433	0.763	17	125.7433	0.582	17	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CCCO)(OC)(O)	O(CCO)	O(CC[5]HH)(CCO)	C(CCCO)(OC)(O)	O(CCO)	O(CC[5]HH)(CCO)	123.4630	0.332	2	123.4630	0.110	2	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CCCO)(OC)(O)	O(CCO)	O(CC[6a]HH)(CCO)	C(CCCO)(OC)(O)	O(CCO)	O(CC[6a]HH)(CCO)	124.4838	1.175	4	124.4838	1.379	4	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CCCO)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CCCO)(OC)(O)	O(CCO)	O(CH3)(CCO)	124.6943	0.733	38	124.6943	0.537	38	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CCCS)(OC)(O)	O(CCO)	O(CC3)(CCO)	C(CCCS)(OC)(O)	O(CCO)	O(CC3)(CCO)	127.0870	0.000	1	127.0870	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CCCS)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CCCS)(OC)(O)	O(CCO)	O(CCHH)(CCO)	125.8470	0.000	1	125.8470	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CCCS)(OC)(O)	O(CCO)	O(CC[6a]2H)(CCO)	C(CCCS)(OC)(O)	O(CCO)	O(CC[6a]2H)(CCO)	125.2720	0.000	1	125.2720	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CCCS)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CCCS)(OC)(O)	O(CCO)	O(CH3)(CCO)	123.2380	0.000	1	123.2380	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CCCW)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CCCW)(OC)(O)	O(CCO)	O(CH3)(CCO)	122.9280	1.843	2	122.9280	3.396	2	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CCFF)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CCFF)(OC)(O)	O(CCO)	O(CCHH)(CCO)	126.5818	0.699	29	126.5818	0.489	29	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CCFH)(OC)(O)	O(CCO)	O(CC3)(CCO)	C(CCFH)(OC)(O)	O(CCO)	O(CC3)(CCO)	126.9870	0.144	2	126.9870	0.021	2	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CCFH)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CCFH)(OC)(O)	O(CCO)	O(CH3)(CCO)	126.1262	0.553	4	126.1262	0.306	4	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CCFN)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CCFN)(OC)(O)	O(CCO)	O(CCHH)(CCO)	128.6690	0.000	1	128.6690	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CCFS)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CCFS)(OC)(O)	O(CCO)	O(CH3)(CCO)	125.7930	0.649	2	125.7930	0.421	2	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CCHH)(OC)(O)	O(CCO)	O(CC3)(CCO)	C(CCHH)(OC)(O)	O(CCO)	O(CC3)(CCO)	125.0266	1.527	42	125.0266	2.331	42	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CCHH)(OC)(O)	O(CCO)	O(CCCH)(CCO)	C(CCHH)(OC)(O)	O(CCO)	O(CCCH)(CCO)	122.4782	2.783	52	122.4782	7.745	52	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CCHH)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CCHH)(OC)(O)	O(CCO)	O(CCHH)(CCO)	123.1597	1.250	213	123.1597	1.563	213	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CCHH)(OC)(O)	O(CCO)	O(CC[5,6]CH)(CCO)	C(CCHH)(OC)(O)	O(CCO)	O(CC[5,6]CH)(CCO)	123.8280	0.666	4	123.8280	0.443	4	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CCHH)(OC)(O)	O(CCO)	O(CC[5,6]HH)(CCO)	C(CCHH)(OC)(O)	O(CCO)	O(CC[5,6]HH)(CCO)	121.8540	0.000	1	121.8540	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CCHH)(OC)(O)	O(CCO)	O(CC[5]CH)(CCO)	C(CCHH)(OC)(O)	O(CCO)	O(CC[5]CH)(CCO)	123.1430	0.304	2	123.1430	0.092	2	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CCHH)(OC)(O)	O(CCO)	O(CC[5]HH)(CCO)	C(CCHH)(OC)(O)	O(CCO)	O(CC[5]HH)(CCO)	123.1720	0.435	3	123.1720	0.190	3	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CCHH)(OC)(O)	O(CCO)	O(CC[5a]HH)(CCO)	C(CCHH)(OC)(O)	O(CCO)	O(CC[5a]HH)(CCO)	117.6210	0.000	1	117.6210	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CCHH)(OC)(O)	O(CCO)	O(CC[6]CC)(CCO)	C(CCHH)(OC)(O)	O(CCO)	O(CC[6]CC)(CCO)	117.5474	0.876	5	117.5474	0.768	5	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CCHH)(OC)(O)	O(CCO)	O(CC[6]HH)(CCO)	C(CCHH)(OC)(O)	O(CCO)	O(CC[6]HH)(CCO)	123.1535	0.936	11	123.1535	0.877	11	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CCHH)(OC)(O)	O(CCO)	O(CC[6a]CC)(CCO)	C(CCHH)(OC)(O)	O(CCO)	O(CC[6a]CC)(CCO)	124.7580	0.000	1	124.7580	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CCHH)(OC)(O)	O(CCO)	O(CC[6a]CH)(CCO)	C(CCHH)(OC)(O)	O(CCO)	O(CC[6a]CH)(CCO)	122.6568	1.899	11	122.6568	3.605	11	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CCHH)(OC)(O)	O(CCO)	O(CC[6a]HH)(CCO)	C(CCHH)(OC)(O)	O(CCO)	O(CC[6a]HH)(CCO)	123.4912	0.578	40	123.4912	0.335	40	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CCHH)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CCHH)(OC)(O)	O(CCO)	O(CH3)(CCO)	123.1019	1.037	321	123.1019	1.076	321	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CCHH)(OC)(O)	O(CCO)	O(CHHO)(CCO)	C(CCHH)(OC)(O)	O(CCO)	O(CHHO)(CCO)	122.8477	0.802	3	122.8477	0.643	3	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CCHI)(OC)(O)	O(CCO)	O(CC3)(CCO)	C(CCHI)(OC)(O)	O(CCO)	O(CC3)(CCO)	126.7940	0.000	1	126.7940	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CCHI)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CCHI)(OC)(O)	O(CCO)	O(CCHH)(CCO)	127.0170	2.161	2	127.0170	4.670	2	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CCHI)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CCHI)(OC)(O)	O(CCO)	O(CH3)(CCO)	125.1060	0.284	7	125.1060	0.081	7	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CCHN)(OC)(O)	O(CCO)	O(CC3)(CCO)	C(CCHN)(OC)(O)	O(CCO)	O(CC3)(CCO)	125.7731	0.870	46	125.7731	0.757	46	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CCHN)(OC)(O)	O(CCO)	O(CCCH)(CCO)	C(CCHN)(OC)(O)	O(CCO)	O(CCCH)(CCO)	124.7299	0.767	35	124.7299	0.589	35	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CCHN)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CCHN)(OC)(O)	O(CCO)	O(CCHH)(CCO)	124.5109	0.923	96	124.5109	0.852	96	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CCHN)(OC)(O)	O(CCO)	O(CC[3x6]HH)(CCO)	C(CCHN)(OC)(O)	O(CCO)	O(CC[3x6]HH)(CCO)	123.1040	0.000	1	123.1040	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CCHN)(OC)(O)	O(CCO)	O(CC[5]HH)(CCO)	C(CCHN)(OC)(O)	O(CCO)	O(CC[5]HH)(CCO)	124.2230	0.000	1	124.2230	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CCHN)(OC)(O)	O(CCO)	O(CC[5a]HH)(CCO)	C(CCHN)(OC)(O)	O(CCO)	O(CC[5a]HH)(CCO)	122.0360	0.000	1	122.0360	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CCHN)(OC)(O)	O(CCO)	O(CC[6a]CH)(CCO)	C(CCHN)(OC)(O)	O(CCO)	O(CC[6a]CH)(CCO)	123.4990	0.000	1	123.4990	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CCHN)(OC)(O)	O(CCO)	O(CC[6a]HH)(CCO)	C(CCHN)(OC)(O)	O(CCO)	O(CC[6a]HH)(CCO)	124.1828	0.777	27	124.1828	0.603	27	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CCHN)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CCHN)(OC)(O)	O(CCO)	O(CH3)(CCO)	124.1138	1.044	436	124.1138	1.090	436	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CCHO)(OC)(O)	O(CCO)	O(CC3)(CCO)	C(CCHO)(OC)(O)	O(CCO)	O(CC3)(CCO)	126.6493	0.599	10	126.6493	0.359	10	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CCHO)(OC)(O)	O(CCO)	O(CCCH)(CCO)	C(CCHO)(OC)(O)	O(CCO)	O(CCCH)(CCO)	123.6634	2.122	25	123.6634	4.503	25	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CCHO)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CCHO)(OC)(O)	O(CCO)	O(CCHH)(CCO)	124.9347	1.323	43	124.9347	1.749	43	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CCHO)(OC)(O)	O(CCO)	O(CC[5]CH)(CCO)	C(CCHO)(OC)(O)	O(CCO)	O(CC[5]CH)(CCO)	125.5990	0.000	1	125.5990	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CCHO)(OC)(O)	O(CCO)	O(CC[6a]CH)(CCO)	C(CCHO)(OC)(O)	O(CCO)	O(CC[6a]CH)(CCO)	117.4820	0.000	1	117.4820	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CCHO)(OC)(O)	O(CCO)	O(CC[6a]HH)(CCO)	C(CCHO)(OC)(O)	O(CCO)	O(CC[6a]HH)(CCO)	124.8050	0.845	3	124.8050	0.714	3	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CCHO)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CCHO)(OC)(O)	O(CCO)	O(CH3)(CCO)	124.7645	0.961	33	124.7645	0.923	33	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CCHP)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CCHP)(OC)(O)	O(CCO)	O(CCHH)(CCO)	124.1460	0.000	1	124.1460	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CCHP)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CCHP)(OC)(O)	O(CCO)	O(CH3)(CCO)	124.8199	0.462	8	124.8199	0.213	8	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CCHS)(OC)(O)	O(CCO)	O(CCCH)(CCO)	C(CCHS)(OC)(O)	O(CCO)	O(CCCH)(CCO)	124.5620	0.098	3	124.5620	0.010	3	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CCHS)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CCHS)(OC)(O)	O(CCO)	O(CCHH)(CCO)	124.4382	0.970	8	124.4382	0.942	8	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CCHS)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CCHS)(OC)(O)	O(CCO)	O(CH3)(CCO)	125.2573	0.352	3	125.2573	0.124	3	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CCHW)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CCHW)(OC)(O)	O(CCO)	O(CH3)(CCO)	122.1180	0.000	1	122.1180	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CCNN)(OC)(O)	O(CCO)	O(CC3)(CCO)	C(CCNN)(OC)(O)	O(CCO)	O(CC3)(CCO)	128.7850	0.000	1	128.7850	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CCNN)(OC)(O)	O(CCO)	O(CCCH)(CCO)	C(CCNN)(OC)(O)	O(CCO)	O(CCCH)(CCO)	126.9410	0.000	1	126.9410	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CCNS)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CCNS)(OC)(O)	O(CCO)	O(CH3)(CCO)	124.9670	0.000	1	124.9670	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CCOO)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CCOO)(OC)(O)	O(CCO)	O(CCHH)(CCO)	125.7692	0.254	4	125.7692	0.065	4	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CCSW)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CCSW)(OC)(O)	O(CCO)	O(CH3)(CCO)	122.8027	1.728	3	122.8027	2.987	3	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[3,5]CC)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CC[3,5]CC)(OC)(O)	O(CCO)	O(CH3)(CCO)	124.5510	0.000	1	124.5510	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[3,6]HO)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CC[3,6]HO)(OC)(O)	O(CCO)	O(CCHH)(CCO)	123.8830	0.000	1	123.8830	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[3]C[6]H)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CC[3]C[6]H)(OC)(O)	O(CCO)	O(CCHH)(CCO)	123.4220	0.000	1	123.4220	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[3]HH)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CC[3]HH)(OC)(O)	O(CCO)	O(CCHH)(CCO)	123.4167	0.397	3	123.4167	0.158	3	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[3]HH)(OC)(O)	O(CCO)	O(CC[6a]HH)(CCO)	C(CC[3]HH)(OC)(O)	O(CCO)	O(CC[6a]HH)(CCO)	123.5360	0.000	1	123.5360	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[3]HN)(OC)(O)	O(CCO)	O(CC3)(CCO)	C(CC[3]HN)(OC)(O)	O(CCO)	O(CC3)(CCO)	126.5390	0.000	1	126.5390	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[3]HN)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CC[3]HN)(OC)(O)	O(CCO)	O(CCHH)(CCO)	124.7027	0.616	3	124.7027	0.379	3	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[3]HN)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CC[3]HN)(OC)(O)	O(CCO)	O(CH3)(CCO)	124.2526	0.363	5	124.2526	0.132	5	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[3]HO)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CC[3]HO)(OC)(O)	O(CCO)	O(CCHH)(CCO)	125.2800	0.000	1	125.2800	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[3]HO)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CC[3]HO)(OC)(O)	O(CCO)	O(CH3)(CCO)	124.9310	0.000	1	124.9310	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[3x6]CH)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CC[3x6]CH)(OC)(O)	O(CCO)	O(CH3)(CCO)	123.5230	0.000	1	123.5230	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[4,6]CC)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CC[4,6]CC)(OC)(O)	O(CCO)	O(CH3)(CCO)	123.5850	0.000	1	123.5850	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[4]CH)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CC[4]CH)(OC)(O)	O(CCO)	O(CCHH)(CCO)	124.1305	0.144	2	124.1305	0.021	2	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[4]HH)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CC[4]HH)(OC)(O)	O(CCO)	O(CH3)(CCO)	123.5177	0.463	3	123.5177	0.214	3	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[4]HO)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CC[4]HO)(OC)(O)	O(CCO)	O(CCHH)(CCO)	123.9780	0.000	1	123.9780	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[5,5]HH)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CC[5,5]HH)(OC)(O)	O(CCO)	O(CCHH)(CCO)	122.5930	0.000	1	122.5930	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[5,5]HH)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CC[5,5]HH)(OC)(O)	O(CCO)	O(CH3)(CCO)	123.1600	0.000	1	123.1600	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[5,6,6]HH)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CC[5,6,6]HH)(OC)(O)	O(CCO)	O(CCHH)(CCO)	123.1592	0.951	6	123.1592	0.904	6	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[5,6]HH)(OC)(O)	O(CCO)	O(CC3)(CCO)	C(CC[5,6]HH)(OC)(O)	O(CCO)	O(CC3)(CCO)	125.6900	0.000	1	125.6900	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[5,6]HH)(OC)(O)	O(CCO)	O(CC[6]HH)(CCO)	C(CC[5,6]HH)(OC)(O)	O(CCO)	O(CC[6]HH)(CCO)	117.5140	0.109	2	117.5140	0.012	2	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[5,6]HH)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CC[5,6]HH)(OC)(O)	O(CCO)	O(CH3)(CCO)	123.6742	0.515	6	123.6742	0.266	6	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[5,6]HO)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CC[5,6]HO)(OC)(O)	O(CCO)	O(CH3)(CCO)	124.4155	0.033	2	124.4155	0.001	2	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[5]BrH)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CC[5]BrH)(OC)(O)	O(CCO)	O(CH3)(CCO)	124.7970	0.000	1	124.7970	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[5]CC)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CC[5]CC)(OC)(O)	O(CCO)	O(CCHH)(CCO)	124.9010	0.526	2	124.9010	0.277	2	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[5]CC)(OC)(O)	O(CCO)	O(CC[6a]HH)(CCO)	C(CC[5]CC)(OC)(O)	O(CCO)	O(CC[6a]HH)(CCO)	125.2530	0.366	2	125.2530	0.134	2	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[5]CC)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CC[5]CC)(OC)(O)	O(CCO)	O(CH3)(CCO)	123.9865	0.198	4	123.9865	0.039	4	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[5]CH)(OC)(O)	O(CCO)	O(CC3)(CCO)	C(CC[5]CH)(OC)(O)	O(CCO)	O(CC3)(CCO)	125.3090	0.698	3	125.3090	0.487	3	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[5]CH)(OC)(O)	O(CCO)	O(CCCH)(CCO)	C(CC[5]CH)(OC)(O)	O(CCO)	O(CCCH)(CCO)	124.5107	0.296	6	124.5107	0.088	6	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[5]CH)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CC[5]CH)(OC)(O)	O(CCO)	O(CCHH)(CCO)	124.4076	0.768	16	124.4076	0.590	16	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[5]CH)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CC[5]CH)(OC)(O)	O(CCO)	O(CH3)(CCO)	123.9234	1.072	45	123.9234	1.150	45	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[5]CN)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CC[5]CN)(OC)(O)	O(CCO)	O(CCHH)(CCO)	124.7113	1.576	3	124.7113	2.482	3	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[5]CN)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CC[5]CN)(OC)(O)	O(CCO)	O(CH3)(CCO)	124.7930	0.000	1	124.7930	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[5]CO)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CC[5]CO)(OC)(O)	O(CCO)	O(CCHH)(CCO)	124.7678	0.981	4	124.7678	0.963	4	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[5]C[6]H)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CC[5]C[6]H)(OC)(O)	O(CCO)	O(CCHH)(CCO)	124.2990	0.000	1	124.2990	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[5]FF)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CC[5]FF)(OC)(O)	O(CCO)	O(CCHH)(CCO)	126.0132	0.790	4	126.0132	0.625	4	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[5]HH)(OC)(O)	O(CCO)	O(CC3)(CCO)	C(CC[5]HH)(OC)(O)	O(CCO)	O(CC3)(CCO)	125.5741	0.679	16	125.5741	0.461	16	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[5]HH)(OC)(O)	O(CCO)	O(CCCH)(CCO)	C(CC[5]HH)(OC)(O)	O(CCO)	O(CCCH)(CCO)	123.9595	0.101	2	123.9595	0.010	2	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[5]HH)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CC[5]HH)(OC)(O)	O(CCO)	O(CCHH)(CCO)	123.8168	1.063	59	123.8168	1.129	59	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[5]HH)(OC)(O)	O(CCO)	O(CC[5]HH)(CCO)	C(CC[5]HH)(OC)(O)	O(CCO)	O(CC[5]HH)(CCO)	117.0070	0.000	1	117.0070	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[5]HH)(OC)(O)	O(CCO)	O(CC[6a]HH)(CCO)	C(CC[5]HH)(OC)(O)	O(CCO)	O(CC[6a]HH)(CCO)	124.3473	0.525	4	124.3473	0.276	4	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[5]HH)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CC[5]HH)(OC)(O)	O(CCO)	O(CH3)(CCO)	123.5031	0.731	96	123.5031	0.535	96	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[5]HN)(OC)(O)	O(CCO)	O(CC3)(CCO)	C(CC[5]HN)(OC)(O)	O(CCO)	O(CC3)(CCO)	125.2180	0.000	1	125.2180	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[5]HN)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CC[5]HN)(OC)(O)	O(CCO)	O(CCHH)(CCO)	124.3243	1.319	3	124.3243	1.739	3	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[5]HN)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CC[5]HN)(OC)(O)	O(CCO)	O(CH3)(CCO)	124.7793	1.234	7	124.7793	1.522	7	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[5]HO)(OC)(O)	O(CCO)	O(CC3)(CCO)	C(CC[5]HO)(OC)(O)	O(CCO)	O(CC3)(CCO)	127.3290	1.447	2	127.3290	2.093	2	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[5]HO)(OC)(O)	O(CCO)	O(CCCH)(CCO)	C(CC[5]HO)(OC)(O)	O(CCO)	O(CCCH)(CCO)	124.3600	0.000	1	124.3600	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[5]HO)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CC[5]HO)(OC)(O)	O(CCO)	O(CCHH)(CCO)	124.3130	0.389	4	124.3130	0.151	4	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[5]HO)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CC[5]HO)(OC)(O)	O(CCO)	O(CH3)(CCO)	124.0864	0.763	8	124.0864	0.583	8	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[5]N[6]H)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CC[5]N[6]H)(OC)(O)	O(CCO)	O(CH3)(CCO)	124.7350	0.000	1	124.7350	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[5]OO)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CC[5]OO)(OC)(O)	O(CCO)	O(CH3)(CCO)	125.0220	0.000	1	125.0220	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[5a]2H)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CC[5a]2H)(OC)(O)	O(CCO)	O(CCHH)(CCO)	122.7720	0.000	1	122.7720	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[5a]CC)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CC[5a]CC)(OC)(O)	O(CCO)	O(CCHH)(CCO)	124.5765	0.909	2	124.5765	0.826	2	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[5a]CF)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CC[5a]CF)(OC)(O)	O(CCO)	O(CH3)(CCO)	125.9565	0.023	2	125.9565	0.001	2	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[5a]CH)(OC)(O)	O(CCO)	O(CC3)(CCO)	C(CC[5a]CH)(OC)(O)	O(CCO)	O(CC3)(CCO)	126.2990	0.738	4	126.2990	0.544	4	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[5a]CH)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CC[5a]CH)(OC)(O)	O(CCO)	O(CCHH)(CCO)	124.8388	0.604	18	124.8388	0.365	18	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[5a]CH)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CC[5a]CH)(OC)(O)	O(CCO)	O(CH3)(CCO)	124.0263	2.214	12	124.0263	4.901	12	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[5a]CO)(OC)(O)	O(CCO)	O(CCCH)(CCO)	C(CC[5a]CO)(OC)(O)	O(CCO)	O(CCCH)(CCO)	124.2925	0.269	2	124.2925	0.073	2	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[5a]CO)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CC[5a]CO)(OC)(O)	O(CCO)	O(CCHH)(CCO)	126.3243	0.365	3	126.3243	0.133	3	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[5a]C[5]H)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CC[5a]C[5]H)(OC)(O)	O(CCO)	O(CCHH)(CCO)	124.8860	0.000	1	124.8860	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[5a]C[5]H)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CC[5a]C[5]H)(OC)(O)	O(CCO)	O(CH3)(CCO)	123.6720	0.257	2	123.6720	0.066	2	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[5a]C[5]O)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CC[5a]C[5]O)(OC)(O)	O(CCO)	O(CCHH)(CCO)	125.6780	0.000	1	125.6780	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[5a]C[6a]C)(OC)(O)	O(CCO)	O(CC3)(CCO)	C(CC[5a]C[6a]C)(OC)(O)	O(CCO)	O(CC3)(CCO)	125.3480	0.000	1	125.3480	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[5a]C[6a]C)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CC[5a]C[6a]C)(OC)(O)	O(CCO)	O(CH3)(CCO)	122.8143	0.657	4	122.8143	0.432	4	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[5a]C[6a]H)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CC[5a]C[6a]H)(OC)(O)	O(CCO)	O(CCHH)(CCO)	123.1650	0.000	1	123.1650	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[5a]C[6a]H)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CC[5a]C[6a]H)(OC)(O)	O(CCO)	O(CH3)(CCO)	124.3600	0.000	1	124.3600	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[5a]FF)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CC[5a]FF)(OC)(O)	O(CCO)	O(CCHH)(CCO)	127.2350	0.000	1	127.2350	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[5a]HH)(OC)(O)	O(CCO)	O(CCCH)(CCO)	C(CC[5a]HH)(OC)(O)	O(CCO)	O(CCCH)(CCO)	124.6879	0.643	7	124.6879	0.413	7	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[5a]HH)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CC[5a]HH)(OC)(O)	O(CCO)	O(CCHH)(CCO)	123.9497	0.678	32	123.9497	0.460	32	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[5a]HH)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CC[5a]HH)(OC)(O)	O(CCO)	O(CH3)(CCO)	123.7749	0.760	25	123.7749	0.578	25	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[5a]HN)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CC[5a]HN)(OC)(O)	O(CCO)	O(CCHH)(CCO)	124.3710	0.000	1	124.3710	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[5a]HO)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CC[5a]HO)(OC)(O)	O(CCO)	O(CCHH)(CCO)	124.4200	0.764	2	124.4200	0.583	2	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[5a]HO)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CC[5a]HO)(OC)(O)	O(CCO)	O(CH3)(CCO)	124.7070	0.000	1	124.7070	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[5a]NO)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CC[5a]NO)(OC)(O)	O(CCO)	O(CH3)(CCO)	125.5560	0.000	1	125.5560	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6,6]CH)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CC[6,6]CH)(OC)(O)	O(CCO)	O(CCHH)(CCO)	124.8620	0.000	1	124.8620	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6,6]CH)(OC)(O)	O(CCO)	O(CC[6a]CH)(CCO)	C(CC[6,6]CH)(OC)(O)	O(CCO)	O(CC[6a]CH)(CCO)	123.4550	0.000	1	123.4550	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6,6]C[6a]N)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CC[6,6]C[6a]N)(OC)(O)	O(CCO)	O(CH3)(CCO)	123.0315	0.005	2	123.0315	0.000	2	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6,6]HH)(OC)(O)	O(CCO)	O(CC[6a]HH)(CCO)	C(CC[6,6]HH)(OC)(O)	O(CCO)	O(CC[6a]HH)(CCO)	124.4170	0.000	1	124.4170	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6,6]HH)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CC[6,6]HH)(OC)(O)	O(CCO)	O(CH3)(CCO)	123.1723	0.617	9	123.1723	0.381	9	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6,6]HO)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CC[6,6]HO)(OC)(O)	O(CCO)	O(CCHH)(CCO)	123.5710	0.000	1	123.5710	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6]2O)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CC[6]2O)(OC)(O)	O(CCO)	O(CCHH)(CCO)	124.6160	0.000	1	124.6160	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6]CC)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CC[6]CC)(OC)(O)	O(CCO)	O(CCHH)(CCO)	124.5138	0.571	4	124.5138	0.326	4	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6]CC)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CC[6]CC)(OC)(O)	O(CCO)	O(CH3)(CCO)	122.6220	0.551	10	122.6220	0.303	10	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6]CH)(OC)(O)	O(CCO)	O(CC3)(CCO)	C(CC[6]CH)(OC)(O)	O(CCO)	O(CC3)(CCO)	124.6847	0.474	3	124.6847	0.224	3	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6]CH)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CC[6]CH)(OC)(O)	O(CCO)	O(CCHH)(CCO)	124.4474	0.830	11	124.4474	0.688	11	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6]CH)(OC)(O)	O(CCO)	O(CC[6a]HH)(CCO)	C(CC[6]CH)(OC)(O)	O(CCO)	O(CC[6a]HH)(CCO)	124.0872	0.675	4	124.0872	0.455	4	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6]CH)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CC[6]CH)(OC)(O)	O(CCO)	O(CH3)(CCO)	124.2125	0.619	33	124.2125	0.384	33	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6]CN)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CC[6]CN)(OC)(O)	O(CCO)	O(CH3)(CCO)	124.7910	0.000	1	124.7910	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6]CO)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CC[6]CO)(OC)(O)	O(CCO)	O(CCHH)(CCO)	125.5862	1.138	5	125.5862	1.296	5	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6]CO)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CC[6]CO)(OC)(O)	O(CCO)	O(CH3)(CCO)	124.1080	0.858	4	124.1080	0.736	4	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6]FF)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CC[6]FF)(OC)(O)	O(CCO)	O(CCHH)(CCO)	126.5600	0.000	1	126.5600	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6]HH)(OC)(O)	O(CCO)	O(CC3)(CCO)	C(CC[6]HH)(OC)(O)	O(CCO)	O(CC3)(CCO)	125.0892	0.897	13	125.0892	0.805	13	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6]HH)(OC)(O)	O(CCO)	O(CCCH)(CCO)	C(CC[6]HH)(OC)(O)	O(CCO)	O(CCCH)(CCO)	122.1273	3.264	4	122.1273	10.657	4	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6]HH)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CC[6]HH)(OC)(O)	O(CCO)	O(CCHH)(CCO)	123.7925	0.979	76	123.7925	0.958	76	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6]HH)(OC)(O)	O(CCO)	O(CC[3]CH)(CCO)	C(CC[6]HH)(OC)(O)	O(CCO)	O(CC[3]CH)(CCO)	123.3670	0.454	2	123.3670	0.206	2	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6]HH)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CC[6]HH)(OC)(O)	O(CCO)	O(CH3)(CCO)	123.2543	0.974	103	123.2543	0.949	103	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6]HN)(OC)(O)	O(CCO)	O(CC3)(CCO)	C(CC[6]HN)(OC)(O)	O(CCO)	O(CC3)(CCO)	125.9210	0.533	2	125.9210	0.284	2	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6]HN)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CC[6]HN)(OC)(O)	O(CCO)	O(CCHH)(CCO)	124.9910	0.456	3	124.9910	0.208	3	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6]HN)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CC[6]HN)(OC)(O)	O(CCO)	O(CH3)(CCO)	124.4613	0.426	4	124.4613	0.181	4	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6]HO)(OC)(O)	O(CCO)	O(CC3)(CCO)	C(CC[6]HO)(OC)(O)	O(CCO)	O(CC3)(CCO)	126.3070	0.000	1	126.3070	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6]HO)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CC[6]HO)(OC)(O)	O(CCO)	O(CCHH)(CCO)	124.8603	0.826	4	124.8603	0.682	4	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6]HO)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CC[6]HO)(OC)(O)	O(CCO)	O(CH3)(CCO)	124.2301	0.895	7	124.2301	0.801	7	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6]NiH)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CC[6]NiH)(OC)(O)	O(CCO)	O(CCHH)(CCO)	121.9985	0.309	2	121.9985	0.095	2	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6a]2C)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CC[6a]2C)(OC)(O)	O(CCO)	O(CCHH)(CCO)	125.0140	0.000	1	125.0140	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6a]2H)(OC)(O)	O(CCO)	O(CCCH)(CCO)	C(CC[6a]2H)(OC)(O)	O(CCO)	O(CCCH)(CCO)	124.4775	0.261	4	124.4775	0.068	4	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6a]2H)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CC[6a]2H)(OC)(O)	O(CCO)	O(CCHH)(CCO)	123.2593	0.574	3	123.2593	0.330	3	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6a]2H)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CC[6a]2H)(OC)(O)	O(CCO)	O(CH3)(CCO)	123.3058	0.469	5	123.3058	0.220	5	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6a]2N)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CC[6a]2N)(OC)(O)	O(CCO)	O(CCHH)(CCO)	123.6405	0.015	2	123.6405	0.000	2	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6a]2O)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CC[6a]2O)(OC)(O)	O(CCO)	O(CH3)(CCO)	124.4190	0.000	1	124.4190	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6a]CC)(OC)(O)	O(CCO)	O(CC3)(CCO)	C(CC[6a]CC)(OC)(O)	O(CCO)	O(CC3)(CCO)	127.1570	0.513	3	127.1570	0.263	3	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6a]CC)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CC[6a]CC)(OC)(O)	O(CCO)	O(CCHH)(CCO)	124.3626	0.560	8	124.3626	0.314	8	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6a]CC)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CC[6a]CC)(OC)(O)	O(CCO)	O(CH3)(CCO)	123.7772	0.749	31	123.7772	0.562	31	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6a]CF)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CC[6a]CF)(OC)(O)	O(CCO)	O(CCHH)(CCO)	126.3320	0.262	3	126.3320	0.068	3	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6a]CF)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CC[6a]CF)(OC)(O)	O(CCO)	O(CH3)(CCO)	125.5030	2.291	2	125.5030	5.249	2	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6a]CH)(OC)(O)	O(CCO)	O(CC3)(CCO)	C(CC[6a]CH)(OC)(O)	O(CCO)	O(CC3)(CCO)	125.7933	1.152	4	125.7933	1.327	4	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6a]CH)(OC)(O)	O(CCO)	O(CCCH)(CCO)	C(CC[6a]CH)(OC)(O)	O(CCO)	O(CCCH)(CCO)	124.4680	0.000	1	124.4680	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6a]CH)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CC[6a]CH)(OC)(O)	O(CCO)	O(CCHH)(CCO)	123.8581	1.433	54	123.8581	2.054	54	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6a]CH)(OC)(O)	O(CCO)	O(CC[6]HH)(CCO)	C(CC[6a]CH)(OC)(O)	O(CCO)	O(CC[6]HH)(CCO)	123.4750	0.000	1	123.4750	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6a]CH)(OC)(O)	O(CCO)	O(CC[6a]CH)(CCO)	C(CC[6a]CH)(OC)(O)	O(CCO)	O(CC[6a]CH)(CCO)	122.8815	0.719	2	122.8815	0.517	2	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6a]CH)(OC)(O)	O(CCO)	O(CC[6a]HH)(CCO)	C(CC[6a]CH)(OC)(O)	O(CCO)	O(CC[6a]HH)(CCO)	122.5230	0.815	2	122.5230	0.664	2	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6a]CH)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CC[6a]CH)(OC)(O)	O(CCO)	O(CH3)(CCO)	124.1780	0.987	64	124.1780	0.974	64	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6a]CN)(OC)(O)	O(CCO)	O(CC3)(CCO)	C(CC[6a]CN)(OC)(O)	O(CCO)	O(CC3)(CCO)	127.0505	2.889	2	127.0505	8.344	2	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6a]CN)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CC[6a]CN)(OC)(O)	O(CCO)	O(CCHH)(CCO)	125.9182	2.271	5	125.9182	5.156	5	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6a]CN)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CC[6a]CN)(OC)(O)	O(CCO)	O(CH3)(CCO)	124.3125	1.713	12	124.3125	2.936	12	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6a]CO)(OC)(O)	O(CCO)	O(CC3)(CCO)	C(CC[6a]CO)(OC)(O)	O(CCO)	O(CC3)(CCO)	126.6357	1.155	3	126.6357	1.334	3	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6a]CO)(OC)(O)	O(CCO)	O(CCCH)(CCO)	C(CC[6a]CO)(OC)(O)	O(CCO)	O(CCCH)(CCO)	126.0697	0.961	4	126.0697	0.923	4	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6a]CO)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CC[6a]CO)(OC)(O)	O(CCO)	O(CCHH)(CCO)	125.1553	0.526	9	125.1553	0.277	9	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6a]CO)(OC)(O)	O(CCO)	O(CC[3,5]HH)(CCO)	C(CC[6a]CO)(OC)(O)	O(CCO)	O(CC[3,5]HH)(CCO)	124.8440	0.000	1	124.8440	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6a]CO)(OC)(O)	O(CCO)	O(CC[5]CH)(CCO)	C(CC[6a]CO)(OC)(O)	O(CCO)	O(CC[5]CH)(CCO)	125.5690	0.000	1	125.5690	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6a]CO)(OC)(O)	O(CCO)	O(CC[6]CH)(CCO)	C(CC[6a]CO)(OC)(O)	O(CCO)	O(CC[6]CH)(CCO)	126.1540	0.000	1	126.1540	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6a]CO)(OC)(O)	O(CCO)	O(CC[6a]HH)(CCO)	C(CC[6a]CO)(OC)(O)	O(CCO)	O(CC[6a]HH)(CCO)	124.9820	0.589	4	124.9820	0.347	4	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6a]CO)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CC[6a]CO)(OC)(O)	O(CCO)	O(CH3)(CCO)	124.3862	0.758	25	124.3862	0.575	25	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6a]CS)(OC)(O)	O(CCO)	O(CC3)(CCO)	C(CC[6a]CS)(OC)(O)	O(CCO)	O(CC3)(CCO)	125.4860	0.000	1	125.4860	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6a]CS)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CC[6a]CS)(OC)(O)	O(CCO)	O(CCHH)(CCO)	125.2350	0.000	1	125.2350	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6a]CS)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CC[6a]CS)(OC)(O)	O(CCO)	O(CH3)(CCO)	123.4377	0.448	3	123.4377	0.201	3	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6a]C[5]C)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CC[6a]C[5]C)(OC)(O)	O(CCO)	O(CCHH)(CCO)	123.7850	0.000	2	123.7850	0.000	2	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6a]C[5]C)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CC[6a]C[5]C)(OC)(O)	O(CCO)	O(CH3)(CCO)	124.7385	2.075	2	124.7385	4.307	2	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6a]C[5]H)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CC[6a]C[5]H)(OC)(O)	O(CCO)	O(CCHH)(CCO)	123.8270	0.163	5	123.8270	0.027	5	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6a]C[5]H)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CC[6a]C[5]H)(OC)(O)	O(CCO)	O(CH3)(CCO)	123.4957	0.653	3	123.4957	0.426	3	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6a]C[5]N)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CC[6a]C[5]N)(OC)(O)	O(CCO)	O(CCHH)(CCO)	125.4030	0.000	1	125.4030	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6a]C[5]N)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CC[6a]C[5]N)(OC)(O)	O(CCO)	O(CH3)(CCO)	124.8570	0.375	2	124.8570	0.140	2	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6a]C[5]O)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CC[6a]C[5]O)(OC)(O)	O(CCO)	O(CCHH)(CCO)	125.1583	0.301	7	125.1583	0.091	7	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6a]C[5]O)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CC[6a]C[5]O)(OC)(O)	O(CCO)	O(CH3)(CCO)	124.1502	0.725	12	124.1502	0.525	12	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6a]C[5]Pd)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CC[6a]C[5]Pd)(OC)(O)	O(CCO)	O(CCHH)(CCO)	124.1920	0.430	2	124.1920	0.185	2	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6a]C[6]C)(OC)(O)	O(CCO)	O(CC3)(CCO)	C(CC[6a]C[6]C)(OC)(O)	O(CCO)	O(CC3)(CCO)	126.8223	0.743	6	126.8223	0.552	6	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6a]C[6]H)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CC[6a]C[6]H)(OC)(O)	O(CCO)	O(CCHH)(CCO)	123.7685	0.499	2	123.7685	0.249	2	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6a]C[6]H)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CC[6a]C[6]H)(OC)(O)	O(CCO)	O(CH3)(CCO)	123.4990	0.000	1	123.4990	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6a]C[6]N)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CC[6a]C[6]N)(OC)(O)	O(CCO)	O(CH3)(CCO)	122.8105	0.100	2	122.8105	0.010	2	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6a]FF)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CC[6a]FF)(OC)(O)	O(CCO)	O(CCHH)(CCO)	126.9866	0.729	13	126.9866	0.532	13	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6a]FH)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CC[6a]FH)(OC)(O)	O(CCO)	O(CCHH)(CCO)	126.8740	0.000	1	126.8740	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6a]FH)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CC[6a]FH)(OC)(O)	O(CCO)	O(CH3)(CCO)	124.6830	0.000	1	124.6830	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6a]FH)(OC)(O)	O(CCO)	O(CN[5a]CH)(CCO)	C(CC[6a]FH)(OC)(O)	O(CCO)	O(CN[5a]CH)(CCO)	125.3730	0.000	1	125.3730	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6a]HH)(OC)(O)	O(CCO)	O(CC3)(CCO)	C(CC[6a]HH)(OC)(O)	O(CCO)	O(CC3)(CCO)	125.4940	0.956	2	125.4940	0.914	2	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6a]HH)(OC)(O)	O(CCO)	O(CCCH)(CCO)	C(CC[6a]HH)(OC)(O)	O(CCO)	O(CCCH)(CCO)	123.8811	1.080	8	123.8811	1.166	8	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6a]HH)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CC[6a]HH)(OC)(O)	O(CCO)	O(CCHH)(CCO)	123.5181	0.837	30	123.5181	0.701	30	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6a]HH)(OC)(O)	O(CCO)	O(CC[6a]HH)(CCO)	C(CC[6a]HH)(OC)(O)	O(CCO)	O(CC[6a]HH)(CCO)	123.2620	0.000	1	123.2620	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6a]HH)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CC[6a]HH)(OC)(O)	O(CCO)	O(CH3)(CCO)	123.3998	0.522	25	123.3998	0.272	25	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6a]HH)(OC)(O)	O(CCO)	O(CN[5a]CH)(CCO)	C(CC[6a]HH)(OC)(O)	O(CCO)	O(CN[5a]CH)(CCO)	124.2000	1.877	2	124.2000	3.522	2	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6a]HN)(OC)(O)	O(CCO)	O(CC3)(CCO)	C(CC[6a]HN)(OC)(O)	O(CCO)	O(CC3)(CCO)	126.9090	0.957	2	126.9090	0.917	2	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6a]HN)(OC)(O)	O(CCO)	O(CCCH)(CCO)	C(CC[6a]HN)(OC)(O)	O(CCO)	O(CCCH)(CCO)	126.0210	0.000	1	126.0210	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6a]HN)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CC[6a]HN)(OC)(O)	O(CCO)	O(CCHH)(CCO)	124.6238	0.930	8	124.6238	0.865	8	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6a]HN)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CC[6a]HN)(OC)(O)	O(CCO)	O(CH3)(CCO)	124.2441	0.624	10	124.2441	0.389	10	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6a]HO)(OC)(O)	O(CCO)	O(CC3)(CCO)	C(CC[6a]HO)(OC)(O)	O(CCO)	O(CC3)(CCO)	125.6910	0.000	1	125.6910	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6a]HO)(OC)(O)	O(CCO)	O(CCCH)(CCO)	C(CC[6a]HO)(OC)(O)	O(CCO)	O(CCCH)(CCO)	124.3760	1.405	3	124.3760	1.973	3	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6a]HO)(OC)(O)	O(CCO)	O(CC[6a]CH)(CCO)	C(CC[6a]HO)(OC)(O)	O(CCO)	O(CC[6a]CH)(CCO)	124.9970	1.962	2	124.9970	3.848	2	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6a]HO)(OC)(O)	O(CCO)	O(CC[6a]HH)(CCO)	C(CC[6a]HO)(OC)(O)	O(CCO)	O(CC[6a]HH)(CCO)	124.5760	0.000	1	124.5760	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6a]HO)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CC[6a]HO)(OC)(O)	O(CCO)	O(CH3)(CCO)	124.0169	1.199	20	124.0169	1.438	20	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6a]HP)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CC[6a]HP)(OC)(O)	O(CCO)	O(CCHH)(CCO)	124.2200	0.000	1	124.2200	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6a]HS)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CC[6a]HS)(OC)(O)	O(CCO)	O(CCHH)(CCO)	125.3050	0.000	1	125.3050	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6a]HS)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CC[6a]HS)(OC)(O)	O(CCO)	O(CH3)(CCO)	124.9900	0.000	1	124.9900	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6a]N[5]S)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CC[6a]N[5]S)(OC)(O)	O(CCO)	O(CH3)(CCO)	123.4090	0.000	1	123.4090	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6a]N[6]H)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CC[6a]N[6]H)(OC)(O)	O(CCO)	O(CCHH)(CCO)	124.2035	0.496	2	124.2035	0.246	2	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6a]OO)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CC[6a]OO)(OC)(O)	O(CCO)	O(CCHH)(CCO)	126.1590	0.000	1	126.1590	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6a]PdC)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CC[6a]PdC)(OC)(O)	O(CCO)	O(CCHH)(CCO)	124.4290	0.000	1	124.4290	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6a]PdC)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CC[6a]PdC)(OC)(O)	O(CCO)	O(CH3)(CCO)	124.2313	0.345	3	124.2313	0.119	3	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6a]PdH)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CC[6a]PdH)(OC)(O)	O(CCO)	O(CCHH)(CCO)	123.2560	0.000	1	123.2560	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CC[6a]RhC)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CC[6a]RhC)(OC)(O)	O(CCO)	O(CH3)(CCO)	122.8740	0.000	1	122.8740	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CCl3)(OC)(O)	O(CCO)	O(CCCH)(CCO)	C(CCl3)(OC)(O)	O(CCO)	O(CCCH)(CCO)	127.8310	0.000	1	127.8310	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CClCC)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CClCC)(OC)(O)	O(CCO)	O(CH3)(CCO)	125.7618	0.237	4	125.7618	0.056	4	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CClCH)(OC)(O)	O(CCO)	O(CC3)(CCO)	C(CClCH)(OC)(O)	O(CCO)	O(CC3)(CCO)	126.1072	1.073	5	126.1072	1.151	5	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CClCH)(OC)(O)	O(CCO)	O(CC[6,6]HH)(CCO)	C(CClCH)(OC)(O)	O(CCO)	O(CC[6,6]HH)(CCO)	125.0000	0.000	1	125.0000	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CClHH)(OC)(O)	O(CCO)	O(CCCH)(CCO)	C(CClHH)(OC)(O)	O(CCO)	O(CCCH)(CCO)	124.7705	0.448	2	124.7705	0.200	2	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CClHH)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CClHH)(OC)(O)	O(CCO)	O(CCHH)(CCO)	124.9920	0.000	1	124.9920	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CClHH)(OC)(O)	O(CCO)	O(CC[6]CH)(CCO)	C(CClHH)(OC)(O)	O(CCO)	O(CC[6]CH)(CCO)	125.1450	0.000	1	125.1450	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CClHH)(OC)(O)	O(CCO)	O(CC[6a]HH)(CCO)	C(CClHH)(OC)(O)	O(CCO)	O(CC[6a]HH)(CCO)	125.2543	0.316	3	125.2543	0.100	3	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CClHH)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CClHH)(OC)(O)	O(CCO)	O(CH3)(CCO)	124.7420	0.000	1	124.7420	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CClRuC)(OC)(O)	O(CCO)	O(CC[6a]HH)(CCO)	C(CClRuC)(OC)(O)	O(CCO)	O(CC[6a]HH)(CCO)	124.1080	0.000	1	124.1080	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CCo2C)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CCo2C)(OC)(O)	O(CCO)	O(CH3)(CCO)	120.3970	0.000	1	120.3970	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CCo3)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CCo3)(OC)(O)	O(CCO)	O(CCHH)(CCO)	121.8700	0.034	2	121.8700	0.001	2	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CCoCC)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CCoCC)(OC)(O)	O(CCO)	O(CCHH)(CCO)	120.7840	0.000	1	120.7840	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CCoCC)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CCoCC)(OC)(O)	O(CCO)	O(CH3)(CCO)	125.2480	0.000	1	125.2480	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CCoCH)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CCoCH)(OC)(O)	O(CCO)	O(CCHH)(CCO)	123.6253	0.994	6	123.6253	0.989	6	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CCoCH)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CCoCH)(OC)(O)	O(CCO)	O(CH3)(CCO)	122.2698	0.427	5	122.2698	0.183	5	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CCoHH)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CCoHH)(OC)(O)	O(CCO)	O(CCHH)(CCO)	122.8580	0.000	1	122.8580	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CCoHO)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CCoHO)(OC)(O)	O(CCO)	O(CCHH)(CCO)	123.1893	0.498	3	123.1893	0.248	3	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CCoHS)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CCoHS)(OC)(O)	O(CCO)	O(CCHH)(CCO)	125.1293	1.031	3	125.1293	1.063	3	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CCoHS)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CCoHS)(OC)(O)	O(CCO)	O(CH3)(CCO)	123.8865	0.370	2	123.8865	0.137	2	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CCoMoC)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CCoMoC)(OC)(O)	O(CCO)	O(CH3)(CCO)	122.8715	0.499	4	122.8715	0.249	4	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CF3)(OC)(O)	O(CCO)	O(CC3)(CCO)	C(CF3)(OC)(O)	O(CCO)	O(CC3)(CCO)	129.7260	0.000	1	129.7260	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CF3)(OC)(O)	O(CCO)	O(CCCH)(CCO)	C(CF3)(OC)(O)	O(CCO)	O(CCCH)(CCO)	125.7780	0.000	1	125.7780	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CF3)(OC)(O)	O(CCO)	O(CC[6a]CH)(CCO)	C(CF3)(OC)(O)	O(CCO)	O(CC[6a]CH)(CCO)	129.0390	0.000	1	129.0390	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CFe2C)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CFe2C)(OC)(O)	O(CCO)	O(CH3)(CCO)	120.8595	0.689	2	120.8595	0.475	2	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CFeCC)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CFeCC)(OC)(O)	O(CCO)	O(CH3)(CCO)	123.3192	0.980	4	123.3192	0.961	4	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CFeCH)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CFeCH)(OC)(O)	O(CCO)	O(CH3)(CCO)	122.8050	0.651	2	122.8050	0.423	2	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CFeHH)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CFeHH)(OC)(O)	O(CCO)	O(CH3)(CCO)	121.8160	0.000	1	121.8160	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CH3)(OC)(O)	O(CCO)	O(CC3)(CCO)	C(CH3)(OC)(O)	O(CCO)	O(CC3)(CCO)	124.6006	1.370	7	124.6006	1.877	7	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CH3)(OC)(O)	O(CCO)	O(CCCH)(CCO)	C(CH3)(OC)(O)	O(CCO)	O(CCCH)(CCO)	123.1240	0.822	196	123.1240	0.676	196	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CH3)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CH3)(OC)(O)	O(CCO)	O(CCHH)(CCO)	122.2245	3.806	349	122.2245	14.488	349	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CH3)(OC)(O)	O(CCO)	O(CCHO)(CCO)	C(CH3)(OC)(O)	O(CCO)	O(CCHO)(CCO)	123.4010	0.000	1	123.4010	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CH3)(OC)(O)	O(CCO)	O(CCHS)(CCO)	C(CH3)(OC)(O)	O(CCO)	O(CCHS)(CCO)	122.2720	0.000	1	122.2720	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CH3)(OC)(O)	O(CCO)	O(CC[3,5]CH)(CCO)	C(CH3)(OC)(O)	O(CCO)	O(CC[3,5]CH)(CCO)	123.0120	0.000	1	123.0120	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CH3)(OC)(O)	O(CCO)	O(CC[3,6]HH)(CCO)	C(CH3)(OC)(O)	O(CCO)	O(CC[3,6]HH)(CCO)	123.5310	0.000	1	123.5310	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CH3)(OC)(O)	O(CCO)	O(CC[3]CH)(CCO)	C(CH3)(OC)(O)	O(CCO)	O(CC[3]CH)(CCO)	123.3462	1.140	5	123.3462	1.300	5	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CH3)(OC)(O)	O(CCO)	O(CC[3]C[5]H)(CCO)	C(CH3)(OC)(O)	O(CCO)	O(CC[3]C[5]H)(CCO)	123.0720	0.000	1	123.0720	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CH3)(OC)(O)	O(CCO)	O(CC[3]HH)(CCO)	C(CH3)(OC)(O)	O(CCO)	O(CC[3]HH)(CCO)	123.1830	0.000	1	123.1830	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CH3)(OC)(O)	O(CCO)	O(CC[4,5]CH)(CCO)	C(CH3)(OC)(O)	O(CCO)	O(CC[4,5]CH)(CCO)	122.9753	1.030	3	122.9753	1.061	3	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CH3)(OC)(O)	O(CCO)	O(CC[4]CH)(CCO)	C(CH3)(OC)(O)	O(CCO)	O(CC[4]CH)(CCO)	122.9778	1.059	4	122.9778	1.121	4	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CH3)(OC)(O)	O(CCO)	O(CC[4]HH)(CCO)	C(CH3)(OC)(O)	O(CCO)	O(CC[4]HH)(CCO)	122.7170	1.146	3	122.7170	1.313	3	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CH3)(OC)(O)	O(CCO)	O(CC[5,5]CH)(CCO)	C(CH3)(OC)(O)	O(CCO)	O(CC[5,5]CH)(CCO)	124.0760	0.000	1	124.0760	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CH3)(OC)(O)	O(CCO)	O(CC[5,5]HH)(CCO)	C(CH3)(OC)(O)	O(CCO)	O(CC[5,5]HH)(CCO)	123.5000	0.122	2	123.5000	0.015	2	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CH3)(OC)(O)	O(CCO)	O(CC[5,6]CH)(CCO)	C(CH3)(OC)(O)	O(CCO)	O(CC[5,6]CH)(CCO)	124.2637	0.741	3	124.2637	0.549	3	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CH3)(OC)(O)	O(CCO)	O(CC[5,6]C[5]H)(CCO)	C(CH3)(OC)(O)	O(CCO)	O(CC[5,6]C[5]H)(CCO)	124.4942	0.402	4	124.4942	0.161	4	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CH3)(OC)(O)	O(CCO)	O(CC[5,6]HH)(CCO)	C(CH3)(OC)(O)	O(CCO)	O(CC[5,6]HH)(CCO)	122.6582	0.629	5	122.6582	0.396	5	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CH3)(OC)(O)	O(CCO)	O(CC[5]2H)(CCO)	C(CH3)(OC)(O)	O(CCO)	O(CC[5]2H)(CCO)	124.2173	0.383	4	124.2173	0.147	4	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CH3)(OC)(O)	O(CCO)	O(CC[5]CH)(CCO)	C(CH3)(OC)(O)	O(CCO)	O(CC[5]CH)(CCO)	123.6360	0.715	74	123.6360	0.511	74	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CH3)(OC)(O)	O(CCO)	O(CC[5]C[6]H)(CCO)	C(CH3)(OC)(O)	O(CCO)	O(CC[5]C[6]H)(CCO)	123.8370	1.021	2	123.8370	1.043	2	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CH3)(OC)(O)	O(CCO)	O(CC[5]HH)(CCO)	C(CH3)(OC)(O)	O(CCO)	O(CC[5]HH)(CCO)	122.7321	1.346	49	122.7321	1.812	49	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CH3)(OC)(O)	O(CCO)	O(CC[5a]CH)(CCO)	C(CH3)(OC)(O)	O(CCO)	O(CC[5a]CH)(CCO)	123.1750	0.000	1	123.1750	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CH3)(OC)(O)	O(CCO)	O(CC[5a]C[6]H)(CCO)	C(CH3)(OC)(O)	O(CCO)	O(CC[5a]C[6]H)(CCO)	122.9545	0.506	2	122.9545	0.256	2	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CH3)(OC)(O)	O(CCO)	O(CC[5a]C[6a]H)(CCO)	C(CH3)(OC)(O)	O(CCO)	O(CC[5a]C[6a]H)(CCO)	123.1513	0.712	3	123.1513	0.507	3	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CH3)(OC)(O)	O(CCO)	O(CC[5a]HH)(CCO)	C(CH3)(OC)(O)	O(CCO)	O(CC[5a]HH)(CCO)	123.0567	0.567	8	123.0567	0.322	8	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CH3)(OC)(O)	O(CCO)	O(CC[6,6]HH)(CCO)	C(CH3)(OC)(O)	O(CCO)	O(CC[6,6]HH)(CCO)	123.5088	0.845	19	123.5088	0.713	19	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CH3)(OC)(O)	O(CCO)	O(CC[6]2H)(CCO)	C(CH3)(OC)(O)	O(CCO)	O(CC[6]2H)(CCO)	122.8000	0.000	1	122.8000	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CH3)(OC)(O)	O(CCO)	O(CC[6]CC)(CCO)	C(CH3)(OC)(O)	O(CCO)	O(CC[6]CC)(CCO)	125.1857	0.551	3	125.1857	0.304	3	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CH3)(OC)(O)	O(CCO)	O(CC[6]CH)(CCO)	C(CH3)(OC)(O)	O(CCO)	O(CC[6]CH)(CCO)	123.0303	0.843	33	123.0303	0.710	33	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CH3)(OC)(O)	O(CCO)	O(CC[6]HH)(CCO)	C(CH3)(OC)(O)	O(CCO)	O(CC[6]HH)(CCO)	122.8478	1.046	206	122.8478	1.094	206	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CH3)(OC)(O)	O(CCO)	O(CC[6a]2H)(CCO)	C(CH3)(OC)(O)	O(CCO)	O(CC[6a]2H)(CCO)	122.5455	0.155	2	122.5455	0.024	2	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CH3)(OC)(O)	O(CCO)	O(CC[6a]CC)(CCO)	C(CH3)(OC)(O)	O(CCO)	O(CC[6a]CC)(CCO)	124.2507	0.817	3	124.2507	0.668	3	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CH3)(OC)(O)	O(CCO)	O(CC[6a]CH)(CCO)	C(CH3)(OC)(O)	O(CCO)	O(CC[6a]CH)(CCO)	122.9004	0.657	33	122.9004	0.431	33	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CH3)(OC)(O)	O(CCO)	O(CC[6a]C[3]H)(CCO)	C(CH3)(OC)(O)	O(CCO)	O(CC[6a]C[3]H)(CCO)	123.4870	0.000	1	123.4870	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CH3)(OC)(O)	O(CCO)	O(CC[6a]C[5]H)(CCO)	C(CH3)(OC)(O)	O(CCO)	O(CC[6a]C[5]H)(CCO)	122.7087	0.396	6	122.7087	0.157	6	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CH3)(OC)(O)	O(CCO)	O(CC[6a]C[6]H)(CCO)	C(CH3)(OC)(O)	O(CCO)	O(CC[6a]C[6]H)(CCO)	122.4460	0.000	1	122.4460	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CH3)(OC)(O)	O(CCO)	O(CC[6a]HH)(CCO)	C(CH3)(OC)(O)	O(CCO)	O(CC[6a]HH)(CCO)	121.8321	5.243	25	121.8321	27.491	25	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CH3)(OC)(O)	O(CCO)	O(CC[6a]HO)(CCO)	C(CH3)(OC)(O)	O(CCO)	O(CC[6a]HO)(CCO)	122.6322	0.349	8	122.6322	0.122	8	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CH3)(OC)(O)	O(CCO)	O(CC[6a]N[5a]H)(CCO)	C(CH3)(OC)(O)	O(CCO)	O(CC[6a]N[5a]H)(CCO)	122.4770	0.000	1	122.4770	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CH3)(OC)(O)	O(CCO)	O(CFe2C)(CCO)	C(CH3)(OC)(O)	O(CCO)	O(CFe2C)(CCO)	123.6540	0.000	1	123.6540	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CH3)(OC)(O)	O(CCO)	O(CFeCC)(CCO)	C(CH3)(OC)(O)	O(CCO)	O(CFeCC)(CCO)	122.5500	0.000	1	122.5500	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CH3)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CH3)(OC)(O)	O(CCO)	O(CH3)(CCO)	122.5877	0.035	3	122.5877	0.001	3	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CH3)(OC)(O)	O(CCO)	O(CHHN)(CCO)	C(CH3)(OC)(O)	O(CCO)	O(CHHN)(CCO)	123.3090	0.000	1	123.3090	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CH3)(OC)(O)	O(CCO)	O(CHHP)(CCO)	C(CH3)(OC)(O)	O(CCO)	O(CHHP)(CCO)	123.0310	0.000	1	123.0310	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CH3)(OC)(O)	O(CCO)	O(CN[5]CH)(CCO)	C(CH3)(OC)(O)	O(CCO)	O(CN[5]CH)(CCO)	122.3640	0.000	1	122.3640	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CH3)(OC)(O)	O(CCO)	O(CP[5]CH)(CCO)	C(CH3)(OC)(O)	O(CCO)	O(CP[5]CH)(CCO)	122.9360	0.000	1	122.9360	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CH3)(OC)(O)	O(CCO)	O(CPtCH)(CCO)	C(CH3)(OC)(O)	O(CCO)	O(CPtCH)(CCO)	124.6340	0.000	1	124.6340	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CHHN)(OC)(O)	O(CCO)	O(CC3)(CCO)	C(CHHN)(OC)(O)	O(CCO)	O(CC3)(CCO)	125.9139	0.788	51	125.9139	0.621	51	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CHHN)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CHHN)(OC)(O)	O(CCO)	O(CCHH)(CCO)	124.6853	0.846	75	124.6853	0.716	75	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CHHN)(OC)(O)	O(CCO)	O(CC[6a]HH)(CCO)	C(CHHN)(OC)(O)	O(CCO)	O(CC[6a]HH)(CCO)	124.4447	0.635	12	124.4447	0.403	12	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CHHN)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CHHN)(OC)(O)	O(CCO)	O(CH3)(CCO)	124.2364	0.840	110	124.2364	0.706	110	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CHHO)(OC)(O)	O(CCO)	O(CC3)(CCO)	C(CHHO)(OC)(O)	O(CCO)	O(CC3)(CCO)	126.4813	0.577	25	126.4813	0.333	25	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CHHO)(OC)(O)	O(CCO)	O(CCCH)(CCO)	C(CHHO)(OC)(O)	O(CCO)	O(CCCH)(CCO)	125.2114	0.461	7	125.2114	0.213	7	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CHHO)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CHHO)(OC)(O)	O(CCO)	O(CCHH)(CCO)	124.7974	0.890	56	124.7974	0.792	56	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CHHO)(OC)(O)	O(CCO)	O(CCHP)(CCO)	C(CHHO)(OC)(O)	O(CCO)	O(CCHP)(CCO)	125.3675	0.036	2	125.3675	0.001	2	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CHHO)(OC)(O)	O(CCO)	O(CC[3x6]HH)(CCO)	C(CHHO)(OC)(O)	O(CCO)	O(CC[3x6]HH)(CCO)	125.1280	0.000	1	125.1280	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CHHO)(OC)(O)	O(CCO)	O(CC[5a]HP)(CCO)	C(CHHO)(OC)(O)	O(CCO)	O(CC[5a]HP)(CCO)	125.4090	0.000	1	125.4090	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CHHO)(OC)(O)	O(CCO)	O(CC[6]CH)(CCO)	C(CHHO)(OC)(O)	O(CCO)	O(CC[6]CH)(CCO)	125.3940	0.000	1	125.3940	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CHHO)(OC)(O)	O(CCO)	O(CC[6a]CH)(CCO)	C(CHHO)(OC)(O)	O(CCO)	O(CC[6a]CH)(CCO)	124.1330	0.000	1	124.1330	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CHHO)(OC)(O)	O(CCO)	O(CC[6a]HH)(CCO)	C(CHHO)(OC)(O)	O(CCO)	O(CC[6a]HH)(CCO)	125.3770	0.034	2	125.3770	0.001	2	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CHHO)(OC)(O)	O(CCO)	O(CC[6a]P[6]H)(CCO)	C(CHHO)(OC)(O)	O(CCO)	O(CC[6a]P[6]H)(CCO)	124.0760	0.000	1	124.0760	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CHHO)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CHHO)(OC)(O)	O(CCO)	O(CH3)(CCO)	124.5955	0.759	69	124.5955	0.576	69	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CHHO)(OC)(O)	O(CCO)	O(CN[5a]HH)(CCO)	C(CHHO)(OC)(O)	O(CCO)	O(CN[5a]HH)(CCO)	124.2520	0.000	1	124.2520	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CHHP)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CHHP)(OC)(O)	O(CCO)	O(CCHH)(CCO)	125.9415	0.145	2	125.9415	0.021	2	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CHHP)(OC)(O)	O(CCO)	O(CC[6a]HH)(CCO)	C(CHHP)(OC)(O)	O(CCO)	O(CC[6a]HH)(CCO)	123.1220	0.000	1	123.1220	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CHHS)(OC)(O)	O(CCO)	O(CC3)(CCO)	C(CHHS)(OC)(O)	O(CCO)	O(CC3)(CCO)	128.2870	0.000	1	128.2870	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CHHS)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CHHS)(OC)(O)	O(CCO)	O(CCHH)(CCO)	124.4953	0.889	32	124.4953	0.791	32	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CHHS)(OC)(O)	O(CCO)	O(CC[6]CH)(CCO)	C(CHHS)(OC)(O)	O(CCO)	O(CC[6]CH)(CCO)	124.9253	0.388	3	124.9253	0.151	3	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CHHS)(OC)(O)	O(CCO)	O(CC[6a]HH)(CCO)	C(CHHS)(OC)(O)	O(CCO)	O(CC[6a]HH)(CCO)	124.3200	0.000	1	124.3200	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CHHS)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CHHS)(OC)(O)	O(CCO)	O(CH3)(CCO)	124.3671	0.973	16	124.3671	0.946	16	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CHNN)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CHNN)(OC)(O)	O(CCO)	O(CCHH)(CCO)	124.3580	0.000	1	124.3580	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CHNN)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CHNN)(OC)(O)	O(CCO)	O(CH3)(CCO)	123.9590	0.000	1	123.9590	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CIrCC)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CIrCC)(OC)(O)	O(CCO)	O(CH3)(CCO)	122.7788	0.890	4	122.7788	0.792	4	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CIrCH)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CIrCH)(OC)(O)	O(CCO)	O(CCHH)(CCO)	122.0190	0.000	1	122.0190	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CIrCH)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CIrCH)(OC)(O)	O(CCO)	O(CH3)(CCO)	122.5136	1.396	5	122.5136	1.948	5	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CMnHH)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CMnHH)(OC)(O)	O(CCO)	O(CH3)(CCO)	121.3930	0.000	1	121.3930	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CMo2C)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CMo2C)(OC)(O)	O(CCO)	O(CH3)(CCO)	120.9177	1.375	9	120.9177	1.889	9	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CMoCC)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CMoCC)(OC)(O)	O(CCO)	O(CH3)(CCO)	123.3830	0.871	3	123.3830	0.758	3	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CMoCH)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CMoCH)(OC)(O)	O(CCO)	O(CH3)(CCO)	123.4572	0.617	5	123.4572	0.380	5	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CMoCP)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CMoCP)(OC)(O)	O(CCO)	O(CH3)(CCO)	122.9560	0.000	1	122.9560	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CMoCS)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CMoCS)(OC)(O)	O(CCO)	O(CH3)(CCO)	123.9010	0.000	1	123.9010	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CMoHH)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CMoHH)(OC)(O)	O(CCO)	O(CCHH)(CCO)	121.9590	0.000	1	121.9590	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CN[5]Br2)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CN[5]Br2)(OC)(O)	O(CCO)	O(CH3)(CCO)	127.1070	0.000	1	127.1070	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CN[5]CC)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CN[5]CC)(OC)(O)	O(CCO)	O(CH3)(CCO)	124.3010	0.000	1	124.3010	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CN[5]CF)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CN[5]CF)(OC)(O)	O(CCO)	O(CH3)(CCO)	125.9530	0.000	1	125.9530	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CN[5]CH)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CN[5]CH)(OC)(O)	O(CCO)	O(CCHH)(CCO)	125.1138	0.401	6	125.1138	0.161	6	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CN[5]CH)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CN[5]CH)(OC)(O)	O(CCO)	O(CH3)(CCO)	124.2219	0.631	21	124.2219	0.398	21	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CN[5]CW)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CN[5]CW)(OC)(O)	O(CCO)	O(CH3)(CCO)	123.7190	0.000	1	123.7190	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CN[5]HH)(OC)(O)	O(CCO)	O(CC3)(CCO)	C(CN[5]HH)(OC)(O)	O(CCO)	O(CC3)(CCO)	126.4965	0.169	2	126.4965	0.029	2	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CN[5]HH)(OC)(O)	O(CCO)	O(CCCH)(CCO)	C(CN[5]HH)(OC)(O)	O(CCO)	O(CCCH)(CCO)	126.1630	0.000	1	126.1630	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CN[5]HH)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CN[5]HH)(OC)(O)	O(CCO)	O(CCHH)(CCO)	125.1047	0.664	24	125.1047	0.441	24	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CN[5]HH)(OC)(O)	O(CCO)	O(CC[5,5]HH)(CCO)	C(CN[5]HH)(OC)(O)	O(CCO)	O(CC[5,5]HH)(CCO)	124.9325	0.663	2	124.9325	0.439	2	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CN[5]HH)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CN[5]HH)(OC)(O)	O(CCO)	O(CH3)(CCO)	125.0993	0.613	14	125.0993	0.375	14	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CN[5]HN)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CN[5]HN)(OC)(O)	O(CCO)	O(CH3)(CCO)	125.2185	0.008	2	125.2185	0.000	2	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CN[5a]2H)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CN[5a]2H)(OC)(O)	O(CCO)	O(CCHH)(CCO)	127.9440	0.000	1	127.9440	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CN[5a]CC)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CN[5a]CC)(OC)(O)	O(CCO)	O(CH3)(CCO)	125.3708	0.990	5	125.3708	0.981	5	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CN[5a]CH)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CN[5a]CH)(OC)(O)	O(CCO)	O(CCHH)(CCO)	124.3150	0.000	1	124.3150	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CN[5a]CH)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CN[5a]CH)(OC)(O)	O(CCO)	O(CH3)(CCO)	124.8690	0.624	7	124.8690	0.389	7	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CN[5a]CO)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CN[5a]CO)(OC)(O)	O(CCO)	O(CH3)(CCO)	124.6655	0.036	2	124.6655	0.001	2	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CN[5a]HH)(OC)(O)	O(CCO)	O(CC3)(CCO)	C(CN[5a]HH)(OC)(O)	O(CCO)	O(CC3)(CCO)	126.6615	0.004	2	126.6615	0.000	2	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CN[5a]HH)(OC)(O)	O(CCO)	O(CCCH)(CCO)	C(CN[5a]HH)(OC)(O)	O(CCO)	O(CCCH)(CCO)	125.5610	0.000	1	125.5610	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CN[5a]HH)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CN[5a]HH)(OC)(O)	O(CCO)	O(CCHH)(CCO)	125.0841	0.544	45	125.0841	0.296	45	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CN[5a]HH)(OC)(O)	O(CCO)	O(CC[6]HH)(CCO)	C(CN[5a]HH)(OC)(O)	O(CCO)	O(CC[6]HH)(CCO)	125.5730	0.000	1	125.5730	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CN[5a]HH)(OC)(O)	O(CCO)	O(CC[6a]HH)(CCO)	C(CN[5a]HH)(OC)(O)	O(CCO)	O(CC[6a]HH)(CCO)	126.2860	0.000	1	126.2860	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CN[5a]HH)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CN[5a]HH)(OC)(O)	O(CCO)	O(CH3)(CCO)	124.9188	0.466	13	124.9188	0.217	13	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CN[6]CH)(OC)(O)	O(CCO)	O(CC3)(CCO)	C(CN[6]CH)(OC)(O)	O(CCO)	O(CC3)(CCO)	125.7200	0.000	1	125.7200	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CN[6]CH)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CN[6]CH)(OC)(O)	O(CCO)	O(CCHH)(CCO)	124.3885	0.967	4	124.3885	0.934	4	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CN[6]CH)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CN[6]CH)(OC)(O)	O(CCO)	O(CH3)(CCO)	123.8189	0.861	8	123.8189	0.741	8	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CN[6]HH)(OC)(O)	O(CCO)	O(CC3)(CCO)	C(CN[6]HH)(OC)(O)	O(CCO)	O(CC3)(CCO)	125.8915	0.800	4	125.8915	0.640	4	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CN[6]HH)(OC)(O)	O(CCO)	O(CCCH)(CCO)	C(CN[6]HH)(OC)(O)	O(CCO)	O(CCCH)(CCO)	124.9620	0.000	1	124.9620	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CN[6]HH)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CN[6]HH)(OC)(O)	O(CCO)	O(CCHH)(CCO)	125.3153	1.115	16	125.3153	1.244	16	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CN[6]HH)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CN[6]HH)(OC)(O)	O(CCO)	O(CH3)(CCO)	124.2114	0.815	8	124.2114	0.663	8	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CN[6a]CH)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CN[6a]CH)(OC)(O)	O(CCO)	O(CH3)(CCO)	124.5332	0.423	5	124.5332	0.179	5	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CN[6a]HH)(OC)(O)	O(CCO)	O(CC3)(CCO)	C(CN[6a]HH)(OC)(O)	O(CCO)	O(CC3)(CCO)	126.7045	1.360	2	126.7045	1.849	2	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CN[6a]HH)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CN[6a]HH)(OC)(O)	O(CCO)	O(CCHH)(CCO)	124.7911	0.357	11	124.7911	0.127	11	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CN[6a]HH)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CN[6a]HH)(OC)(O)	O(CCO)	O(CH3)(CCO)	125.1925	0.224	2	125.1925	0.050	2	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CNiCC)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CNiCC)(OC)(O)	O(CCO)	O(CH3)(CCO)	121.6695	0.463	2	121.6695	0.215	2	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CNiCH)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CNiCH)(OC)(O)	O(CCO)	O(CCHH)(CCO)	121.5875	0.742	2	121.5875	0.550	2	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CNiCH)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CNiCH)(OC)(O)	O(CCO)	O(CH3)(CCO)	122.0523	0.845	4	122.0523	0.714	4	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CO[4]CH)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CO[4]CH)(OC)(O)	O(CCO)	O(CH3)(CCO)	123.4075	1.384	4	123.4075	1.914	4	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(COs3)(OC)(O)	O(CCO)	O(CC[6a]HH)(CCO)	C(COs3)(OC)(O)	O(CCO)	O(CC[6a]HH)(CCO)	121.1940	0.260	2	121.1940	0.068	2	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(COsCH)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(COsCH)(OC)(O)	O(CCO)	O(CCHH)(CCO)	122.7860	0.000	1	122.7860	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(COsCH)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(COsCH)(OC)(O)	O(CCO)	O(CH3)(CCO)	121.9785	0.054	2	121.9785	0.003	2	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CP[6]HO)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CP[6]HO)(OC)(O)	O(CCO)	O(CH3)(CCO)	125.4510	0.343	3	125.4510	0.118	3	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CPdCC)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CPdCC)(OC)(O)	O(CCO)	O(CCHH)(CCO)	123.1690	0.000	1	123.1690	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CPdCC)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CPdCC)(OC)(O)	O(CCO)	O(CH3)(CCO)	123.2887	0.865	7	123.2887	0.748	7	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CPdCH)(OC)(O)	O(CCO)	O(CCCH)(CCO)	C(CPdCH)(OC)(O)	O(CCO)	O(CCCH)(CCO)	122.2250	0.000	1	122.2250	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CPdCH)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CPdCH)(OC)(O)	O(CCO)	O(CCHH)(CCO)	122.9525	1.477	4	122.9525	2.182	4	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CPdCH)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CPdCH)(OC)(O)	O(CCO)	O(CH3)(CCO)	122.5941	1.950	12	122.5941	3.803	12	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CPdCI)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CPdCI)(OC)(O)	O(CCO)	O(CH3)(CCO)	123.8530	0.000	1	123.8530	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CPdCP)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CPdCP)(OC)(O)	O(CCO)	O(CH3)(CCO)	123.2845	0.122	2	123.2845	0.015	2	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CPdFF)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CPdFF)(OC)(O)	O(CCO)	O(CCHH)(CCO)	124.1540	0.727	2	124.1540	0.528	2	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CPdHO)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CPdHO)(OC)(O)	O(CCO)	O(CCHH)(CCO)	124.7520	0.000	1	124.7520	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CPdRuC)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CPdRuC)(OC)(O)	O(CCO)	O(CH3)(CCO)	123.3380	0.000	1	123.3380	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CPtCH)(OC)(O)	O(CCO)	O(CC3)(CCO)	C(CPtCH)(OC)(O)	O(CCO)	O(CC3)(CCO)	122.3410	0.100	2	122.3410	0.010	2	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CPtCH)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CPtCH)(OC)(O)	O(CCO)	O(CH3)(CCO)	122.2852	1.174	8	122.2852	1.377	8	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CPtHP)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CPtHP)(OC)(O)	O(CCO)	O(CH3)(CCO)	124.5765	0.616	2	124.5765	0.379	2	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CRhCH)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CRhCH)(OC)(O)	O(CCO)	O(CH3)(CCO)	123.4680	0.000	1	123.4680	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CRu2C)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CRu2C)(OC)(O)	O(CCO)	O(CH3)(CCO)	122.0760	0.489	2	122.0760	0.239	2	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CRuBC)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CRuBC)(OC)(O)	O(CCO)	O(CH3)(CCO)	119.3425	0.668	2	119.3425	0.447	2	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CRuCC)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CRuCC)(OC)(O)	O(CCO)	O(CCHH)(CCO)	125.0080	0.000	1	125.0080	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CRuCC)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CRuCC)(OC)(O)	O(CCO)	O(CH3)(CCO)	123.4822	0.688	4	123.4822	0.473	4	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CRuCH)(OC)(O)	O(CCO)	O(CCHH)(CCO)	C(CRuCH)(OC)(O)	O(CCO)	O(CCHH)(CCO)	124.2200	0.000	1	124.2200	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CRuCH)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CRuCH)(OC)(O)	O(CCO)	O(CH3)(CCO)	121.7264	1.408	23	121.7264	1.981	23	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CRuCS)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CRuCS)(OC)(O)	O(CCO)	O(CH3)(CCO)	123.0390	0.000	1	123.0390	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CSeCC)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CSeCC)(OC)(O)	O(CCO)	O(CH3)(CCO)	124.3990	0.000	1	124.3990	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CSiCH)(OC)(O)	O(CCO)	O(CC[6a]2H)(CCO)	C(CSiCH)(OC)(O)	O(CCO)	O(CC[6a]2H)(CCO)	123.1660	0.050	3	123.1660	0.003	3	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CSiCO)(OC)(O)	O(CCO)	O(CC[6a]HH)(CCO)	C(CSiCO)(OC)(O)	O(CCO)	O(CC[6a]HH)(CCO)	123.9060	0.407	2	123.9060	0.166	2	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C-4:C-3:	C(CSiOS)(OC)(O)	O(CCO)	O(CC3)(CCO)	C(CSiOS)(OC)(O)	O(CCO)	O(CC3)(CCO)	125.8960	0.000	1	125.8960	0.000	1	123.8496	3.103	5512	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C[3,6]-4:C-3:	C(CC[6a]HH)(OC[3,6])(O)	O(CCO)	O(C[3,6]C[3,6]N[3]O[6])(CCO)	C(CC[6a]HH)(OC[3,6])(O)	O(CCO)	O(C[3,6]C[3,6]N[3]O[6])(CCO)	122.0800	0.000	1	122.0800	0.000	1	122.0800	0.000	1	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C[5,6]-4:C-3:	C(CC[6a]CH)(OC[5,6])(O)	O(CCO)	O(C[5,6]C[5,5,6]C[5,6]H)(CCO)	C(CC[6a]CH)(OC[5,6])(O)	O(CCO)	O(C[5,6]C[5,5,6]C[5,6]H)(CCO)	123.4200	0.000	1	123.4200	0.000	1	124.2405	1.346	2	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C[5,6]-4:C-3:	C(CC[6a]CO)(OC[5,6])(O)	O(CCO)	O(C[5,6]C[5,5,6]C[5,6]H)(CCO)	C(CC[6a]CO)(OC[5,6])(O)	O(CCO)	O(C[5,6]C[5,5,6]C[5,6]H)(CCO)	125.0610	0.000	1	125.0610	0.000	1	124.2405	1.346	2	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C[5]-4:C-3:	C(CBrHH)(OC[5])(O)	O(CCO)	O(C[5]C[5,5]C[5]H)(CCO)	C(CBrHH)(OC[5])(O)	O(CCO)	O(C[5]C[5,5]C[5]H)(CCO)	124.8775	0.975	2	124.8775	0.951	2	124.4951	0.628	20	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C[5]-4:C-3:	C(CC[5a]CH)(OC[5])(O)	O(CCO)	O(C[5]C[5]2H)(CCO)	C(CC[5a]CH)(OC[5])(O)	O(CCO)	O(C[5]C[5]2H)(CCO)	124.4850	0.000	1	124.4850	0.000	1	124.4951	0.628	20	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C[5]-4:C-3:	C(CC[6]HH)(OC[5])(O)	O(CCO)	O(C[5]C[5,6a]C[5,6]H)(CCO)	C(CC[6]HH)(OC[5])(O)	O(CCO)	O(C[5]C[5,6a]C[5,6]H)(CCO)	122.8700	0.000	1	122.8700	0.000	1	124.4951	0.628	20	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C[5]-4:C-3:	C(CC[6]HH)(OC[5])(O)	O(CCO)	O(C[5]C[5]2H)(CCO)	C(CC[6]HH)(OC[5])(O)	O(CCO)	O(C[5]C[5]2H)(CCO)	122.9350	0.000	1	122.9350	0.000	1	124.4951	0.628	20	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C[5]-4:C-3:	C(CC[6a]CH)(OC[5])(O)	O(CCO)	O(C[5]C[5]2H)(CCO)	C(CC[6a]CH)(OC[5])(O)	O(CCO)	O(C[5]C[5]2H)(CCO)	123.9350	0.000	1	123.9350	0.000	1	124.4951	0.628	20	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C[5]-4:C-3:	C(CC[6a]CO)(OC[5])(O)	O(CCO)	O(C[5]C[5,6,6]O[5]H)(CCO)	C(CC[6a]CO)(OC[5])(O)	O(CCO)	O(C[5]C[5,6,6]O[5]H)(CCO)	124.5480	0.000	1	124.5480	0.000	1	124.4951	0.628	20	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C[5]-4:C-3:	C(CC[6a]CO)(OC[5])(O)	O(CCO)	O(C[5]C[5]O[5]H)(CCO)	C(CC[6a]CO)(OC[5])(O)	O(CCO)	O(C[5]C[5]O[5]H)(CCO)	125.0280	0.000	1	125.0280	0.000	1	124.4951	0.628	20	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C[5]-4:C-3:	C(CC[6a]HH)(OC[5])(O)	O(CCO)	O(C[5]C[5,5]O[5]H)(CCO)	C(CC[6a]HH)(OC[5])(O)	O(CCO)	O(C[5]C[5,5]O[5]H)(CCO)	124.1630	0.000	1	124.1630	0.000	1	124.4951	0.628	20	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C[5]-4:C-3:	C(CC[6a]HH)(OC[5])(O)	O(CCO)	O(C[5]C[5]2H)(CCO)	C(CC[6a]HH)(OC[5])(O)	O(CCO)	O(C[5]C[5]2H)(CCO)	123.9660	0.000	1	123.9660	0.000	1	124.4951	0.628	20	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C[5]-4:C-3:	C(CC[6a]HO)(OC[5])(O)	O(CCO)	O(C[5]C[3,5]C[5]H)(CCO)	C(CC[6a]HO)(OC[5])(O)	O(CCO)	O(C[5]C[3,5]C[5]H)(CCO)	125.6520	0.000	1	125.6520	0.000	1	124.4951	0.628	20	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C[5]-4:C-3:	C(CC[6a]HO)(OC[5])(O)	O(CCO)	O(C[5]C[5]2H)(CCO)	C(CC[6a]HO)(OC[5])(O)	O(CCO)	O(C[5]C[5]2H)(CCO)	124.5770	0.537	3	124.5770	0.288	3	124.4951	0.628	20	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C[5]-4:C-3:	C(CClHH)(OC[5])(O)	O(CCO)	O(C[5]C[5,6]C[5]H)(CCO)	C(CClHH)(OC[5])(O)	O(CCO)	O(C[5]C[5,6]C[5]H)(CCO)	125.5920	0.000	1	125.5920	0.000	1	124.4951	0.628	20	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C[5]-4:C-3:	C(CClHH)(OC[5])(O)	O(CCO)	O(C[5]C[5,6a]2C)(CCO)	C(CClHH)(OC[5])(O)	O(CCO)	O(C[5]C[5,6a]2C)(CCO)	124.8135	0.237	2	124.8135	0.056	2	124.4951	0.628	20	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C[5]-4:C-3:	C(CClHH)(OC[5])(O)	O(CCO)	O(C[5]C[5,6a]C[5]H)(CCO)	C(CClHH)(OC[5])(O)	O(CCO)	O(C[5]C[5,6a]C[5]H)(CCO)	125.1330	0.000	1	125.1330	0.000	1	124.4951	0.628	20	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C[5]-4:C-3:	C(CClHH)(OC[5])(O)	O(CCO)	O(C[5]C[5]2H)(CCO)	C(CClHH)(OC[5])(O)	O(CCO)	O(C[5]C[5]2H)(CCO)	124.2415	0.829	2	124.2415	0.688	2	124.4951	0.628	20	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C[6,6]-4:C-3:	C(CC[6]CC)(OC[6,6])(O)	O(CCO)	O(C[6,6]C[3x6]2H)(CCO)	C(CC[6]CC)(OC[6,6])(O)	O(CCO)	O(C[6,6]C[3x6]2H)(CCO)	124.3803	0.433	4	124.3803	0.187	4	124.4986	0.210	5	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C[6,6]-4:C-3:	C(CC[6a]HO)(OC[6,6])(O)	O(CCO)	O(C[6,6]C[3x6]2H)(CCO)	C(CC[6a]HO)(OC[6,6])(O)	O(CCO)	O(C[6,6]C[3x6]2H)(CCO)	124.9720	0.000	1	124.9720	0.000	1	124.4986	0.210	5	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C[6]-4:C-3:	C(CBrCH)(OC[6])(O)	O(CCO)	O(C[6]C[6]2H)(CCO)	C(CBrCH)(OC[6])(O)	O(CCO)	O(C[6]C[6]2H)(CCO)	124.7730	0.000	1	124.7730	0.000	1	124.2803	5.946	62	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C[6]-4:C-3:	C(CC[3]CH)(OC[6])(O)	O(CCO)	O(C[6]C[3,6]C[6]H)(CCO)	C(CC[3]CH)(OC[6])(O)	O(CCO)	O(C[6]C[3,6]C[6]H)(CCO)	123.5560	0.000	1	123.5560	0.000	1	124.2803	5.946	62	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C[6]-4:C-3:	C(CC[5]HH)(OC[6])(O)	O(CCO)	O(C[6]C[6]2H)(CCO)	C(CC[5]HH)(OC[6])(O)	O(CCO)	O(C[6]C[6]2H)(CCO)	123.9850	0.000	1	123.9850	0.000	1	124.2803	5.946	62	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C[6]-4:C-3:	C(CC[5a]HO)(OC[6])(O)	O(CCO)	O(C[6]C[6]2H)(CCO)	C(CC[5a]HO)(OC[6])(O)	O(CCO)	O(C[6]C[6]2H)(CCO)	126.6885	0.515	2	126.6885	0.266	2	124.2803	5.946	62	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C[6]-4:C-3:	C(CC[6]CH)(OC[6])(O)	O(CCO)	O(C[6]C[6]2C)(CCO)	C(CC[6]CH)(OC[6])(O)	O(CCO)	O(C[6]C[6]2C)(CCO)	116.5480	0.000	1	116.5480	0.000	1	124.2803	5.946	62	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C[6]-4:C-3:	C(CC[6]HH)(OC[6])(O)	O(CCO)	O(C[6]C[5,6]2H)(CCO)	C(CC[6]HH)(OC[6])(O)	O(CCO)	O(C[6]C[5,6]2H)(CCO)	117.3660	0.000	1	117.3660	0.000	1	124.2803	5.946	62	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C[6]-4:C-3:	C(CC[6]HH)(OC[6])(O)	O(CCO)	O(C[6]C[5,6]C[6]H)(CCO)	C(CC[6]HH)(OC[6])(O)	O(CCO)	O(C[6]C[5,6]C[6]H)(CCO)	116.9447	0.662	3	116.9447	0.439	3	124.2803	5.946	62	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C[6]-4:C-3:	C(CC[6a]2C)(OC[6])(O)	O(CCO)	O(C[6]C[6]2H)(CCO)	C(CC[6a]2C)(OC[6])(O)	O(CCO)	O(C[6]C[6]2H)(CCO)	123.6230	0.000	1	123.6230	0.000	1	124.2803	5.946	62	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C[6]-4:C-3:	C(CC[6a]2O)(OC[6])(O)	O(CCO)	O(C[6]C[6]2H)(CCO)	C(CC[6a]2O)(OC[6])(O)	O(CCO)	O(C[6]C[6]2H)(CCO)	124.6877	0.385	13	124.6877	0.149	13	124.2803	5.946	62	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C[6]-4:C-3:	C(CC[6a]BrH)(OC[6])(O)	O(CCO)	O(C[6]C[6]2H)(CCO)	C(CC[6a]BrH)(OC[6])(O)	O(CCO)	O(C[6]C[6]2H)(CCO)	124.5480	0.000	1	124.5480	0.000	1	124.2803	5.946	62	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C[6]-4:C-3:	C(CC[6a]CF)(OC[6])(O)	O(CCO)	O(C[6]C[6]2H)(CCO)	C(CC[6a]CF)(OC[6])(O)	O(CCO)	O(C[6]C[6]2H)(CCO)	128.0370	0.000	1	128.0370	0.000	1	124.2803	5.946	62	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C[6]-4:C-3:	C(CC[6a]CH)(OC[6])(O)	O(CCO)	O(C[6]C[6]2H)(CCO)	C(CC[6a]CH)(OC[6])(O)	O(CCO)	O(C[6]C[6]2H)(CCO)	123.1642	0.405	5	123.1642	0.164	5	124.2803	5.946	62	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C[6]-4:C-3:	C(CC[6a]CN)(OC[6])(O)	O(CCO)	O(C[6]C[6]2H)(CCO)	C(CC[6a]CN)(OC[6])(O)	O(CCO)	O(C[6]C[6]2H)(CCO)	122.8000	0.000	1	122.8000	0.000	1	124.2803	5.946	62	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C[6]-4:C-3:	C(CC[6a]CO)(OC[6])(O)	O(CCO)	O(C[6]C[5a,6]C[6]H)(CCO)	C(CC[6a]CO)(OC[6])(O)	O(CCO)	O(C[6]C[5a,6]C[6]H)(CCO)	125.5530	0.000	1	125.5530	0.000	1	124.2803	5.946	62	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C[6]-4:C-3:	C(CC[6a]CO)(OC[6])(O)	O(CCO)	O(C[6]C[6,6a]C[6]H)(CCO)	C(CC[6a]CO)(OC[6])(O)	O(CCO)	O(C[6]C[6,6a]C[6]H)(CCO)	124.1040	0.000	1	124.1040	0.000	1	124.2803	5.946	62	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C[6]-4:C-3:	C(CC[6a]CO)(OC[6])(O)	O(CCO)	O(C[6]C[6]2H)(CCO)	C(CC[6a]CO)(OC[6])(O)	O(CCO)	O(C[6]C[6]2H)(CCO)	125.3392	0.523	8	125.3392	0.274	8	124.2803	5.946	62	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C[6]-4:C-3:	C(CC[6a]HH)(OC[6])(O)	O(CCO)	O(C[6]C[6]2H)(CCO)	C(CC[6a]HH)(OC[6])(O)	O(CCO)	O(C[6]C[6]2H)(CCO)	123.2020	0.000	1	123.2020	0.000	1	124.2803	5.946	62	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C[6]-4:C-3:	C(CC[6a]HN)(OC[6])(O)	O(CCO)	O(C[6]C[6]2H)(CCO)	C(CC[6a]HN)(OC[6])(O)	O(CCO)	O(C[6]C[6]2H)(CCO)	125.0650	0.000	1	125.0650	0.000	1	124.2803	5.946	62	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C[6]-4:C-3:	C(CC[6a]HO)(OC[6])(O)	O(CCO)	O(C[6]C[6,6]C[6]H)(CCO)	C(CC[6a]HO)(OC[6])(O)	O(CCO)	O(C[6]C[6,6]C[6]H)(CCO)	125.1060	0.000	2	125.1060	0.000	2	124.2803	5.946	62	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C[6]-4:C-3:	C(CC[6a]HO)(OC[6])(O)	O(CCO)	O(C[6]C[6,6a]C[6]H)(CCO)	C(CC[6a]HO)(OC[6])(O)	O(CCO)	O(C[6]C[6,6a]C[6]H)(CCO)	125.6140	0.422	3	125.6140	0.178	3	124.2803	5.946	62	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C[6]-4:C-3:	C(CC[6a]HO)(OC[6])(O)	O(CCO)	O(C[6]C[6]2H)(CCO)	C(CC[6a]HO)(OC[6])(O)	O(CCO)	O(C[6]C[6]2H)(CCO)	125.6910	0.741	3	125.6910	0.549	3	124.2803	5.946	62	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C[6]-4:C-3:	C(CClCF)(OC[6])(O)	O(CCO)	O(C[6]C[6]2H)(CCO)	C(CClCF)(OC[6])(O)	O(CCO)	O(C[6]C[6]2H)(CCO)	127.1720	0.000	1	127.1720	0.000	1	124.2803	5.946	62	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C[6]-4:C-3:	C(CClCH)(OC[6])(O)	O(CCO)	O(C[6]C[6]2H)(CCO)	C(CClCH)(OC[6])(O)	O(CCO)	O(C[6]C[6]2H)(CCO)	124.8665	0.339	2	124.8665	0.115	2	124.2803	5.946	62	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C[6]-4:C-3:	C(CClHH)(OC[6])(O)	O(CCO)	O(C[6]C[6,6]C[6]H)(CCO)	C(CClHH)(OC[6])(O)	O(CCO)	O(C[6]C[6,6]C[6]H)(CCO)	125.6180	0.000	1	125.6180	0.000	1	124.2803	5.946	62	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C[6]-4:C-3:	C(CClHH)(OC[6])(O)	O(CCO)	O(C[6]C[6]2H)(CCO)	C(CClHH)(OC[6])(O)	O(CCO)	O(C[6]C[6]2H)(CCO)	125.0380	0.362	2	125.0380	0.131	2	124.2803	5.946	62	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C[6]-4:C-3:	C(CN[5]HH)(OC[6])(O)	O(CCO)	O(C[6]C[5,6]C[6]H)(CCO)	C(CN[5]HH)(OC[6])(O)	O(CCO)	O(C[6]C[5,6]C[6]H)(CCO)	124.6455	1.409	2	124.6455	1.986	2	124.2803	5.946	62	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	C[6]-4:C-3:	C(CN[5]HH)(OC[6])(O)	O(CCO)	O(C[6]C[6]2H)(CCO)	C(CN[5]HH)(OC[6])(O)	O(CCO)	O(C[6]C[6]2H)(CCO)	126.2580	1.291	2	126.2580	1.667	2	124.2803	5.946	62	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	Ga-4:C-3:	C(CHHN)(OGa)(O)	O(CCO)	O(GaO3)(CCO)	C(CHHN)(OGa)(O)	O(CCO)	O(GaO3)(CCO)	122.4807	1.311	3	122.4807	1.719	3	122.4807	1.719	3	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	In-4:C-3:	C(CHHN)(OIn)(O)	O(CCO)	O(InO3)(CCO)	C(CHHN)(OIn)(O)	O(CCO)	O(InO3)(CCO)	124.7700	0.597	3	124.7700	0.357	3	124.7700	0.357	3	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	P-4:C-3:	C(CC3)(OP)(O)	O(CCO)	O(PC[6a]2Se)(CCO)	C(CC3)(OP)(O)	O(CCO)	O(PC[6a]2Se)(CCO)	121.6070	0.000	1	121.6070	0.000	1	121.9187	0.073	3	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	P-4:C-3:	C(CH3)(OP)(O)	O(CCO)	O(PCHW)(CCO)	C(CH3)(OP)(O)	O(CCO)	O(PCHW)(CCO)	122.0870	0.000	1	122.0870	0.000	1	121.9187	0.073	3	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	P-4:C-3:	C(CH3)(OP)(O)	O(CCO)	O(PC[6a]2Fe)(CCO)	C(CH3)(OP)(O)	O(CCO)	O(PC[6a]2Fe)(CCO)	122.0620	0.000	1	122.0620	0.000	1	121.9187	0.073	3	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	Si-4:C-3:	C(CCHH)(OSi)(O)	O(CCO)	O(SiC3)(CCO)	C(CCHH)(OSi)(O)	O(CCO)	O(SiC3)(CCO)	123.4800	0.000	1	123.4800	0.000	1	123.9280	12.019	4	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	Si-4:C-3:	C(CCHH)(OSi)(O)	O(CCO)	O(SiCCO)(CCO)	C(CCHH)(OSi)(O)	O(CCO)	O(SiCCO)(CCO)	121.6450	0.000	1	121.6450	0.000	1	123.9280	12.019	4	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	Si-4:C-3:	C(CF3)(OSi)(O)	O(CCO)	O(SiC[6a]Ru2)(CCO)	C(CF3)(OSi)(O)	O(CCO)	O(SiC[6a]Ru2)(CCO)	128.9620	0.000	1	128.9620	0.000	1	123.9280	12.019	4	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C-4:O-2:O-1:	C-3:	Si-4:C-3:	C(CH3)(OSi)(O)	O(CCO)	O(SiO3)(CCO)	C(CH3)(OSi)(O)	O(CCO)	O(SiO3)(CCO)	121.6250	0.000	1	121.6250	0.000	1	123.9280	12.019	4	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C[3,5]-4:O-2:O-1:	C-3:	C-4:C-3:	C(C[3,5]C[3,5]C[5,5]O[3])(OC)(O)	O(CC[3,5]O)	O(CC[6a]HH)(CC[3,5]O)	C(C[3,5]C[3,5]C[5,5]O[3])(OC)(O)	O(CC[3,5]O)	O(CC[6a]HH)(CC[3,5]O)	125.4250	0.000	1	125.4250	0.000	1	125.4250	0.000	1	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C[3,6]-4:O-2:O-1:	C-3:	C[5,6]-4:C-3:	C(C[3,6]N[3,6]C[3]C[6])(OC[5,6])(O)	O(CC[3,6]O)	O(C[5,6]C[5,5,6]C[5,6]H)(CC[3,6]O)	C(C[3,6]N[3,6]C[3]C[6])(OC[5,6])(O)	O(CC[3,6]O)	O(C[5,6]C[5,5,6]C[5,6]H)(CC[3,6]O)	124.7640	0.000	1	124.7640	0.000	1	124.7640	0.000	1	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C[3]-4:O-2:O-1:	C-3:	C-4:C-3:	C(C[3]C[3]2C)(OC)(O)	O(CC[3]O)	O(CC[5]HH)(CC[3]O)	C(C[3]C[3]2C)(OC)(O)	O(CC[3]O)	O(CC[5]HH)(CC[3]O)	123.3990	0.000	1	123.3990	0.000	1	122.6715	5.127	27	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C[3]-4:O-2:O-1:	C-3:	C-4:C-3:	C(C[3]C[3]2C)(OC)(O)	O(CC[3]O)	O(CC[6a]CH)(CC[3]O)	C(C[3]C[3]2C)(OC)(O)	O(CC[3]O)	O(CC[6a]CH)(CC[3]O)	119.8768	2.976	6	119.8768	8.856	6	122.6715	5.127	27	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C[3]-4:O-2:O-1:	C-3:	C-4:C-3:	C(C[3]C[3]2H)(OC)(O)	O(CC[3]O)	O(CC[5a]HH)(CC[3]O)	C(C[3]C[3]2H)(OC)(O)	O(CC[3]O)	O(CC[5a]HH)(CC[3]O)	123.5690	0.000	1	123.5690	0.000	1	122.6715	5.127	27	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C[3]-4:O-2:O-1:	C-3:	C-4:C-3:	C(C[3]C[3]2H)(OC)(O)	O(CC[3]O)	O(CC[6a]CC)(CC[3]O)	C(C[3]C[3]2H)(OC)(O)	O(CC[3]O)	O(CC[6a]CC)(CC[3]O)	124.2080	0.000	1	124.2080	0.000	1	122.6715	5.127	27	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C[3]-4:O-2:O-1:	C-3:	C-4:C-3:	C(C[3]C[3]2H)(OC)(O)	O(CC[3]O)	O(CC[6a]CH)(CC[3]O)	C(C[3]C[3]2H)(OC)(O)	O(CC[3]O)	O(CC[6a]CH)(CC[3]O)	122.1628	0.323	6	122.1628	0.104	6	122.6715	5.127	27	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C[3]-4:O-2:O-1:	C-3:	C-4:C-3:	C(C[3]C[3]2H)(OC)(O)	O(CC[3]O)	O(CC[6a]HH)(CC[3]O)	C(C[3]C[3]2H)(OC)(O)	O(CC[3]O)	O(CC[6a]HH)(CC[3]O)	122.5595	0.224	2	122.5595	0.050	2	122.6715	5.127	27	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C[3]-4:O-2:O-1:	C-3:	C-4:C-3:	C(C[3]C[3]O[3]C)(OC)(O)	O(CC[3]O)	O(CC[3]C[5]H)(CC[3]O)	C(C[3]C[3]O[3]C)(OC)(O)	O(CC[3]O)	O(CC[3]C[5]H)(CC[3]O)	124.3025	0.134	2	124.3025	0.018	2	122.6715	5.127	27	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C[3]-4:O-2:O-1:	C-3:	C-4:C-3:	C(C[3]C[3]O[3]C)(OC)(O)	O(CC[3]O)	O(CC[3]HH)(CC[3]O)	C(C[3]C[3]O[3]C)(OC)(O)	O(CC[3]O)	O(CC[3]HH)(CC[3]O)	124.0322	0.365	5	124.0322	0.134	5	122.6715	5.127	27	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C[3]-4:O-2:O-1:	C-3:	C-4:C-3:	C(C[3]C[3]O[3]C)(OC)(O)	O(CC[3]O)	O(CC[6a]CH)(CC[3]O)	C(C[3]C[3]O[3]C)(OC)(O)	O(CC[3]O)	O(CC[6a]CH)(CC[3]O)	125.9120	0.273	2	125.9120	0.074	2	122.6715	5.127	27	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C[3]-4:O-2:O-1:	C-3:	C-4:C-3:	C(C[3]C[6a]C[3]2)(OC)(O)	O(CC[3]O)	O(CC[6a]HH)(CC[3]O)	C(C[3]C[6a]C[3]2)(OC)(O)	O(CC[3]O)	O(CC[6a]HH)(CC[3]O)	123.0070	0.000	1	123.0070	0.000	1	122.6715	5.127	27	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C[3]-4:O-2:O-1:	C-3:	C[5,6]-4:C-3:	C(C[3]C[3]2H)(OC[5,6])(O)	O(CC[3]O)	O(C[5,6]C[5,5,6]C[5,6]H)(CC[3]O)	C(C[3]C[3]2H)(OC[5,6])(O)	O(CC[3]O)	O(C[5,6]C[5,5,6]C[5,6]H)(CC[3]O)	123.3695	0.045	2	123.3695	0.002	2	123.3695	0.002	2	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C[3]-4:O-2:O-1:	C-3:	C[5]-4:C-3:	C(C[3]C[3]2C)(OC[5])(O)	O(CC[3]O)	O(C[5]C[5]2H)(CC[3]O)	C(C[3]C[3]2C)(OC[5])(O)	O(CC[3]O)	O(C[5]C[5]2H)(CC[3]O)	123.3070	0.646	4	123.3070	0.418	4	121.1002	12.009	6	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C[3]-4:O-2:O-1:	C-3:	C[5]-4:C-3:	C(C[3]C[3]2H)(OC[5])(O)	O(CC[3]O)	O(C[5]C[5,6]C[5]C)(CC[3]O)	C(C[3]C[3]2H)(OC[5])(O)	O(CC[3]O)	O(C[5]C[5,6]C[5]C)(CC[3]O)	116.6865	0.592	2	116.6865	0.350	2	121.1002	12.009	6	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C[3]-4:O-2:O-1:	C-3:	C[6]-4:C-3:	C(C[3]C[3]2P)(OC[6])(O)	O(CC[3]O)	O(C[6]C[6]2H)(CC[3]O)	C(C[3]C[3]2P)(OC[6])(O)	O(CC[3]O)	O(C[6]C[6]2H)(CC[3]O)	123.8090	0.000	1	123.8090	0.000	1	125.3208	2.247	4	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C[3]-4:O-2:O-1:	C-3:	C[6]-4:C-3:	C(C[3]C[3]O[3]C)(OC[6])(O)	O(CC[3]O)	O(C[6]C[6]2H)(CC[3]O)	C(C[3]C[3]O[3]C)(OC[6])(O)	O(CC[3]O)	O(C[6]C[6]2H)(CC[3]O)	126.3850	1.345	2	126.3850	1.809	2	125.3208	2.247	4	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C[3]-4:O-2:O-1:	C-3:	C[6]-4:C-3:	C(C[3]C[3]O[3]H)(OC[6])(O)	O(CC[3]O)	O(C[6]C[6]2H)(CC[3]O)	C(C[3]C[3]O[3]H)(OC[6])(O)	O(CC[3]O)	O(C[6]C[6]2H)(CC[3]O)	124.7040	0.000	1	124.7040	0.000	1	125.3208	2.247	4	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C[3x6]-4:O-2:O-1:	C-3:	C-4:C-3:	C(C[3x6]C[6,6]3)(OC)(O)	O(CC[3x6]O)	O(CC[6a]CH)(CC[3x6]O)	C(C[3x6]C[6,6]3)(OC)(O)	O(CC[3x6]O)	O(CC[6a]CH)(CC[3x6]O)	122.3340	0.000	1	122.3340	0.000	1	122.4560	0.030	2	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C[3x6]-4:O-2:O-1:	C-3:	C-4:C-3:	C(C[3x6]C[6,6]3)(OC)(O)	O(CC[3x6]O)	O(CC[6a]HH)(CC[3x6]O)	C(C[3x6]C[6,6]3)(OC)(O)	O(CC[3x6]O)	O(CC[6a]HH)(CC[3x6]O)	122.5780	0.000	1	122.5780	0.000	1	122.4560	0.030	2	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C[4]-4:O-2:O-1:	C-3:	C-4:C-3:	C(C[4]C[4,5]C[6a]O[4])(OC)(O)	O(CC[4]O)	O(CC[4,5]HH)(CC[4]O)	C(C[4]C[4,5]C[6a]O[4])(OC)(O)	O(CC[4]O)	O(CC[4,5]HH)(CC[4]O)	124.9675	0.019	2	124.9675	0.000	2	124.3055	1.053	6	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C[4]-4:O-2:O-1:	C-3:	C-4:C-3:	C(C[4]C[4]2C)(OC)(O)	O(CC[4]O)	O(CC[6a]2H)(CC[4]O)	C(C[4]C[4]2C)(OC)(O)	O(CC[4]O)	O(CC[6a]2H)(CC[4]O)	124.1360	0.000	1	124.1360	0.000	1	124.3055	1.053	6	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C[4]-4:O-2:O-1:	C-3:	C-4:C-3:	C(C[4]C[4]2C)(OC)(O)	O(CC[4]O)	O(CC[6a]HH)(CC[4]O)	C(C[4]C[4]2C)(OC)(O)	O(CC[4]O)	O(CC[6a]HH)(CC[4]O)	124.2000	1.857	2	124.2000	3.448	2	124.3055	1.053	6	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C[4]-4:O-2:O-1:	C-3:	C-4:C-3:	C(C[4]C[4]2H)(OC)(O)	O(CC[4]O)	O(CC[6a]HH)(CC[4]O)	C(C[4]C[4]2H)(OC)(O)	O(CC[4]O)	O(CC[6a]HH)(CC[4]O)	123.3620	0.000	1	123.3620	0.000	1	124.3055	1.053	6	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C[4]-4:O-2:O-1:	C-3:	C[6]-4:C-3:	C(C[4]C[4,6,6]C[4]C)(OC[6])(O)	O(CC[4]O)	O(C[6]C[6,6]C[6]H)(CC[4]O)	C(C[4]C[4,6,6]C[4]C)(OC[6])(O)	O(CC[4]O)	O(C[6]C[6,6]C[6]H)(CC[4]O)	117.4630	0.000	1	117.4630	0.000	1	117.4630	0.000	1	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C[5,5,6]-4:O-2:O-1:	C-3:	C-4:C-3:	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC)(O)	O(CC[5,5,6]O)	O(CC[5x3,5x5,20x6]C[6a]H)(CC[5,5,6]O)	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC)(O)	O(CC[5,5,6]O)	O(CC[5x3,5x5,20x6]C[6a]H)(CC[5,5,6]O)	124.6720	0.000	1	124.6720	0.000	1	124.5495	0.030	2	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C[5,5,6]-4:O-2:O-1:	C-3:	C-4:C-3:	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC)(O)	O(CC[5,5,6]O)	O(CC[6a]C[3]H)(CC[5,5,6]O)	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC)(O)	O(CC[5,5,6]O)	O(CC[6a]C[3]H)(CC[5,5,6]O)	124.4270	0.000	1	124.4270	0.000	1	124.5495	0.030	2	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C[5,5,6]-4:O-2:O-1:	C-3:	C[3]-4:C-3:	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC[3])(O)	O(CC[5,5,6]O)	O(C[3]C[3,6]C[3]H)(CC[5,5,6]O)	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC[3])(O)	O(CC[5,5,6]O)	O(C[3]C[3,6]C[3]H)(CC[5,5,6]O)	125.2550	0.000	1	125.2550	0.000	1	125.2550	0.000	1	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C[5,5,6]-4:O-2:O-1:	C-3:	C[5]-4:C-3:	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC[5])(O)	O(CC[5,5,6]O)	O(C[5]C[3,5]C[5]H)(CC[5,5,6]O)	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC[5])(O)	O(CC[5,5,6]O)	O(C[5]C[3,5]C[5]H)(CC[5,5,6]O)	124.3133	1.241	6	124.3133	1.540	6	124.6692	0.969	11	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C[5,5,6]-4:O-2:O-1:	C-3:	C[5]-4:C-3:	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC[5])(O)	O(CC[5,5,6]O)	O(C[5]C[5,5]C[5]H)(CC[5,5,6]O)	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC[5])(O)	O(CC[5,5,6]O)	O(C[5]C[5,5]C[5]H)(CC[5,5,6]O)	125.3665	0.235	2	125.3665	0.055	2	124.6692	0.969	11	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C[5,5,6]-4:O-2:O-1:	C-3:	C[5]-4:C-3:	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC[5])(O)	O(CC[5,5,6]O)	O(C[5]C[5,6]C[5]H)(CC[5,5,6]O)	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC[5])(O)	O(CC[5,5,6]O)	O(C[5]C[5,6]C[5]H)(CC[5,5,6]O)	124.8700	0.095	2	124.8700	0.009	2	124.6692	0.969	11	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C[5,5,6]-4:O-2:O-1:	C-3:	C[5]-4:C-3:	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC[5])(O)	O(CC[5,5,6]O)	O(C[5]C[5]2H)(CC[5,5,6]O)	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC[5])(O)	O(CC[5,5,6]O)	O(C[5]C[5]2H)(CC[5,5,6]O)	125.0080	0.000	1	125.0080	0.000	1	124.6692	0.969	11	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C[5,5,6]-4:O-2:O-1:	C-3:	C[6,6]-4:C-3:	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC[6,6])(O)	O(CC[5,5,6]O)	O(C[6,6]C[3x6]2H)(CC[5,5,6]O)	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC[6,6])(O)	O(CC[5,5,6]O)	O(C[6,6]C[3x6]2H)(CC[5,5,6]O)	124.5040	0.000	1	124.5040	0.000	1	124.7175	0.091	2	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C[5,5,6]-4:O-2:O-1:	C-3:	C[6,6]-4:C-3:	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC[6,6])(O)	O(CC[5,5,6]O)	O(C[6,6]C[3x6]C[6,6]C)(CC[5,5,6]O)	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC[6,6])(O)	O(CC[5,5,6]O)	O(C[6,6]C[3x6]C[6,6]C)(CC[5,5,6]O)	124.9310	0.000	1	124.9310	0.000	1	124.7175	0.091	2	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C[5,5,6]-4:O-2:O-1:	C-3:	C[6]-4:C-3:	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC[6])(O)	O(CC[5,5,6]O)	O(C[6]C[5,6]C[6]H)(CC[5,5,6]O)	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC[6])(O)	O(CC[5,5,6]O)	O(C[6]C[5,6]C[6]H)(CC[5,5,6]O)	123.3255	0.224	2	123.3255	0.050	2	124.8329	0.582	16	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C[5,5,6]-4:O-2:O-1:	C-3:	C[6]-4:C-3:	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC[6])(O)	O(CC[5,5,6]O)	O(C[6]C[6,6]C[6]H)(CC[5,5,6]O)	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC[6])(O)	O(CC[5,5,6]O)	O(C[6]C[6,6]C[6]H)(CC[5,5,6]O)	126.2520	0.000	1	126.2520	0.000	1	124.8329	0.582	16	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C[5,5,6]-4:O-2:O-1:	C-3:	C[6]-4:C-3:	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC[6])(O)	O(CC[5,5,6]O)	O(C[6]C[6,6a]C[6]C)(CC[5,5,6]O)	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC[6])(O)	O(CC[5,5,6]O)	O(C[6]C[6,6a]C[6]C)(CC[5,5,6]O)	125.1360	0.000	1	125.1360	0.000	1	124.8329	0.582	16	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C[5,5,6]-4:O-2:O-1:	C-3:	C[6]-4:C-3:	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC[6])(O)	O(CC[5,5,6]O)	O(C[6]C[6]2C)(CC[5,5,6]O)	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC[6])(O)	O(CC[5,5,6]O)	O(C[6]C[6]2C)(CC[5,5,6]O)	124.7820	0.000	1	124.7820	0.000	1	124.8329	0.582	16	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C[5,5,6]-4:O-2:O-1:	C-3:	C[6]-4:C-3:	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC[6])(O)	O(CC[5,5,6]O)	O(C[6]C[6]2H)(CC[5,5,6]O)	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC[6])(O)	O(CC[5,5,6]O)	O(C[6]C[6]2H)(CC[5,5,6]O)	124.9638	0.454	10	124.9638	0.206	10	124.8329	0.582	16	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C[5,5,6]-4:O-2:O-1:	C-3:	C[6]-4:C-3:	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC[6])(O)	O(CC[5,5,6]O)	O(C[6]C[6a]C[6]2)(CC[5,5,6]O)	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC[6])(O)	O(CC[5,5,6]O)	O(C[6]C[6a]C[6]2)(CC[5,5,6]O)	124.8680	0.000	1	124.8680	0.000	1	124.8329	0.582	16	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C[5,5]-4:O-2:O-1:	C-3:	C[6]-4:C-3:	C(C[5,5]C[5,6a]C[5,5]C[5])(OC[6])(O)	O(CC[5,5]O)	O(C[6]C[6]2H)(CC[5,5]O)	C(C[5,5]C[5,6a]C[5,5]C[5])(OC[6])(O)	O(CC[5,5]O)	O(C[6]C[6]2H)(CC[5,5]O)	123.6440	0.000	2	123.6440	0.000	2	123.6440	0.000	2	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C[5,6]-4:O-2:O-1:	C-3:	C-4:C-3:	C(C[5,6]C[5,5,6,6]C[4,5,6]O)(OC)(O)	O(CC[5,6]O)	O(CC[6a]HH)(CC[5,6]O)	C(C[5,6]C[5,5,6,6]C[4,5,6]O)(OC)(O)	O(CC[5,6]O)	O(CC[6a]HH)(CC[5,6]O)	124.9730	0.000	1	124.9730	0.000	1	123.5753	1.543	3	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C[5,6]-4:O-2:O-1:	C-3:	C-4:C-3:	C(C[5,6]C[5,5,6]2H)(OC)(O)	O(CC[5,6]O)	O(CC[6a]CH)(CC[5,6]O)	C(C[5,6]C[5,5,6]2H)(OC)(O)	O(CC[5,6]O)	O(CC[6a]CH)(CC[5,6]O)	122.8765	0.395	2	122.8765	0.156	2	123.5753	1.543	3	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C[5,6]-4:O-2:O-1:	C-3:	C[5,6]-4:C-3:	C(C[5,6]C[5,5,6]N[5,6]H)(OC[5,6])(O)	O(CC[5,6]O)	O(C[5,6]C[5,5,6]C[5,6]H)(CC[5,6]O)	C(C[5,6]C[5,5,6]N[5,6]H)(OC[5,6])(O)	O(CC[5,6]O)	O(C[5,6]C[5,5,6]C[5,6]H)(CC[5,6]O)	123.9030	0.000	1	123.9030	0.000	1	124.6935	1.250	2	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C[5,6]-4:O-2:O-1:	C-3:	C[5,6]-4:C-3:	C(C[5,6]O[5,6]C[5]C[6])(OC[5,6])(O)	O(CC[5,6]O)	O(C[5,6]C[5,5,6]C[5,6]H)(CC[5,6]O)	C(C[5,6]O[5,6]C[5]C[6])(OC[5,6])(O)	O(CC[5,6]O)	O(C[5,6]C[5,5,6]C[5,6]H)(CC[5,6]O)	125.4840	0.000	1	125.4840	0.000	1	124.6935	1.250	2	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C[5,6]-4:O-2:O-1:	C-3:	C[5]-4:C-3:	C(C[5,6]C[5,5,6]C[5,6]H)(OC[5])(O)	O(CC[5,6]O)	O(C[5]C[5,5]C[5]H)(CC[5,6]O)	C(C[5,6]C[5,5,6]C[5,6]H)(OC[5])(O)	O(CC[5,6]O)	O(C[5]C[5,5]C[5]H)(CC[5,6]O)	124.1985	0.599	2	124.1985	0.359	2	124.1985	0.359	2	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C[5,6]-4:O-2:O-1:	C-3:	C[6]-4:C-3:	C(C[5,6]C[5,5,6,6]C[5,6]C)(OC[6])(O)	O(CC[5,6]O)	O(C[6]C[6,6]C[6]H)(CC[5,6]O)	C(C[5,6]C[5,5,6,6]C[5,6]C)(OC[6])(O)	O(CC[5,6]O)	O(C[6]C[6,6]C[6]H)(CC[5,6]O)	116.3280	0.000	1	116.3280	0.000	1	122.2463	16.042	4	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C[5,6]-4:O-2:O-1:	C-3:	C[6]-4:C-3:	C(C[5,6]C[5,5,6]C[5,6]C)(OC[6])(O)	O(CC[5,6]O)	O(C[6]C[6]2H)(CC[5,6]O)	C(C[5,6]C[5,5,6]C[5,6]C)(OC[6])(O)	O(CC[5,6]O)	O(C[6]C[6]2H)(CC[5,6]O)	124.9810	0.000	1	124.9810	0.000	1	122.2463	16.042	4	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C[5,6]-4:O-2:O-1:	C-3:	C[6]-4:C-3:	C(C[5,6]C[5,5,6]C[5,6]H)(OC[6])(O)	O(CC[5,6]O)	O(C[6]C[6]2H)(CC[5,6]O)	C(C[5,6]C[5,5,6]C[5,6]H)(OC[6])(O)	O(CC[5,6]O)	O(C[6]C[6]2H)(CC[5,6]O)	123.8380	0.744	2	123.8380	0.553	2	122.2463	16.042	4	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C[5]-4:O-2:O-1:	C-3:	B[3x6]-4:C-3:	C(C[5]C[5]2Fe)(OB[3x6])(O)	O(CC[5]O)	O(B[3x6]N[5a,6,6]3)(CC[5]O)	C(C[5]C[5]2Fe)(OB[3x6])(O)	O(CC[5]O)	O(B[3x6]N[5a,6,6]3)(CC[5]O)	123.0660	0.000	1	123.0660	0.000	1	123.0660	0.000	1	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C[5]-4:O-2:O-1:	C-3:	C-4:C-3:	C(C[5]C[3,5]C[5]C)(OC)(O)	O(CC[5]O)	O(CC[6a]HH)(CC[5]O)	C(C[5]C[3,5]C[5]C)(OC)(O)	O(CC[5]O)	O(CC[6a]HH)(CC[5]O)	125.1905	0.337	2	125.1905	0.114	2	124.4555	1.119	80	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C[5]-4:O-2:O-1:	C-3:	C-4:C-3:	C(C[5]C[3,5]N[4,5]H)(OC)(O)	O(CC[5]O)	O(CC[6a]HH)(CC[5]O)	C(C[5]C[3,5]N[4,5]H)(OC)(O)	O(CC[5]O)	O(CC[6a]HH)(CC[5]O)	125.2150	0.000	1	125.2150	0.000	1	124.4555	1.119	80	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C[5]-4:O-2:O-1:	C-3:	C-4:C-3:	C(C[5]C[3,5]N[5]H)(OC)(O)	O(CC[5]O)	O(CC[6a]HH)(CC[5]O)	C(C[5]C[3,5]N[5]H)(OC)(O)	O(CC[5]O)	O(CC[6a]HH)(CC[5]O)	125.5030	0.000	1	125.5030	0.000	1	124.4555	1.119	80	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C[5]-4:O-2:O-1:	C-3:	C-4:C-3:	C(C[5]C[4,5]C[5]H)(OC)(O)	O(CC[5]O)	O(CC[6a]2H)(CC[5]O)	C(C[5]C[4,5]C[5]H)(OC)(O)	O(CC[5]O)	O(CC[6a]2H)(CC[5]O)	124.9800	0.000	1	124.9800	0.000	1	124.4555	1.119	80	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C[5]-4:O-2:O-1:	C-3:	C-4:C-3:	C(C[5]C[5,5]C[5]C)(OC)(O)	O(CC[5]O)	O(CC[6a]2H)(CC[5]O)	C(C[5]C[5,5]C[5]C)(OC)(O)	O(CC[5]O)	O(CC[6a]2H)(CC[5]O)	124.2985	0.042	2	124.2985	0.002	2	124.4555	1.119	80	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C[5]-4:O-2:O-1:	C-3:	C-4:C-3:	C(C[5]C[5,6]C[5]H)(OC)(O)	O(CC[5]O)	O(CC[6a]HH)(CC[5]O)	C(C[5]C[5,6]C[5]H)(OC)(O)	O(CC[5]O)	O(CC[6a]HH)(CC[5]O)	122.6130	0.000	1	122.6130	0.000	1	124.4555	1.119	80	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C[5]-4:O-2:O-1:	C-3:	C-4:C-3:	C(C[5]C[5,6]C[5]O)(OC)(O)	O(CC[5]O)	O(CC[6a]HH)(CC[5]O)	C(C[5]C[5,6]C[5]O)(OC)(O)	O(CC[5]O)	O(CC[6a]HH)(CC[5]O)	123.2220	0.000	1	123.2220	0.000	1	124.4555	1.119	80	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C[5]-4:O-2:O-1:	C-3:	C-4:C-3:	C(C[5]C[5,6]O[5]C)(OC)(O)	O(CC[5]O)	O(CC[6a]HH)(CC[5]O)	C(C[5]C[5,6]O[5]C)(OC)(O)	O(CC[5]O)	O(CC[6a]HH)(CC[5]O)	124.4050	0.000	1	124.4050	0.000	1	124.4555	1.119	80	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C[5]-4:O-2:O-1:	C-3:	C-4:C-3:	C(C[5]C[5,6a]C[5]C)(OC)(O)	O(CC[5]O)	O(CC[6a]HH)(CC[5]O)	C(C[5]C[5,6a]C[5]C)(OC)(O)	O(CC[5]O)	O(CC[6a]HH)(CC[5]O)	123.7510	1.090	2	123.7510	1.189	2	124.4555	1.119	80	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C[5]-4:O-2:O-1:	C-3:	C-4:C-3:	C(C[5]C[5]2C)(OC)(O)	O(CC[5]O)	O(CC[6a]CC)(CC[5]O)	C(C[5]C[5]2C)(OC)(O)	O(CC[5]O)	O(CC[6a]CC)(CC[5]O)	124.7630	0.000	1	124.7630	0.000	1	124.4555	1.119	80	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C[5]-4:O-2:O-1:	C-3:	C-4:C-3:	C(C[5]C[5]2C)(OC)(O)	O(CC[5]O)	O(CC[6a]HH)(CC[5]O)	C(C[5]C[5]2C)(OC)(O)	O(CC[5]O)	O(CC[6a]HH)(CC[5]O)	124.7250	0.736	11	124.7250	0.541	11	124.4555	1.119	80	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C[5]-4:O-2:O-1:	C-3:	C-4:C-3:	C(C[5]C[5]2Fe)(OC)(O)	O(CC[5]O)	O(CC[5,5]HH)(CC[5]O)	C(C[5]C[5]2Fe)(OC)(O)	O(CC[5]O)	O(CC[5,5]HH)(CC[5]O)	123.5225	0.540	2	123.5225	0.291	2	124.4555	1.119	80	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C[5]-4:O-2:O-1:	C-3:	C-4:C-3:	C(C[5]C[5]2Fe)(OC)(O)	O(CC[5]O)	O(CC[6]HH)(CC[5]O)	C(C[5]C[5]2Fe)(OC)(O)	O(CC[5]O)	O(CC[6]HH)(CC[5]O)	123.7925	0.077	2	123.7925	0.006	2	124.4555	1.119	80	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C[5]-4:O-2:O-1:	C-3:	C-4:C-3:	C(C[5]C[5]2Fe)(OC)(O)	O(CC[5]O)	O(CC[6a]HH)(CC[5]O)	C(C[5]C[5]2Fe)(OC)(O)	O(CC[5]O)	O(CC[6a]HH)(CC[5]O)	124.1520	1.996	9	124.1520	3.983	9	124.4555	1.119	80	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C[5]-4:O-2:O-1:	C-3:	C-4:C-3:	C(C[5]C[5]2H)(OC)(O)	O(CC[5]O)	O(CC[5]HH)(CC[5]O)	C(C[5]C[5]2H)(OC)(O)	O(CC[5]O)	O(CC[5]HH)(CC[5]O)	123.7200	0.000	1	123.7200	0.000	1	124.4555	1.119	80	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C[5]-4:O-2:O-1:	C-3:	C-4:C-3:	C(C[5]C[5]2H)(OC)(O)	O(CC[5]O)	O(CC[6a]HH)(CC[5]O)	C(C[5]C[5]2H)(OC)(O)	O(CC[5]O)	O(CC[6a]HH)(CC[5]O)	123.5499	0.709	12	123.5499	0.503	12	124.4555	1.119	80	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C[5]-4:O-2:O-1:	C-3:	C-4:C-3:	C(C[5]C[5]N[5]C)(OC)(O)	O(CC[5]O)	O(CC[6a]HH)(CC[5]O)	C(C[5]C[5]N[5]C)(OC)(O)	O(CC[5]O)	O(CC[6a]HH)(CC[5]O)	124.3760	0.654	4	124.3760	0.427	4	124.4555	1.119	80	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C[5]-4:O-2:O-1:	C-3:	C-4:C-3:	C(C[5]C[5]N[5]H)(OC)(O)	O(CC[5]O)	O(CC[6a]HH)(CC[5]O)	C(C[5]C[5]N[5]H)(OC)(O)	O(CC[5]O)	O(CC[6a]HH)(CC[5]O)	124.9816	0.668	14	124.9816	0.447	14	124.4555	1.119	80	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C[5]-4:O-2:O-1:	C-3:	C-4:C-3:	C(C[5]C[6a]C[5]2)(OC)(O)	O(CC[5]O)	O(CC[6a]CH)(CC[5]O)	C(C[5]C[6a]C[5]2)(OC)(O)	O(CC[5]O)	O(CC[6a]CH)(CC[5]O)	123.8710	0.000	1	123.8710	0.000	1	124.4555	1.119	80	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C[5]-4:O-2:O-1:	C-3:	C-4:C-3:	C(C[5]N[4,5]C[5]H)(OC)(O)	O(CC[5]O)	O(CC[6a]2H)(CC[5]O)	C(C[5]N[4,5]C[5]H)(OC)(O)	O(CC[5]O)	O(CC[6a]2H)(CC[5]O)	125.2417	0.414	8	125.2417	0.171	8	124.4555	1.119	80	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C[5]-4:O-2:O-1:	C-3:	C-4:C-3:	C(C[5]N[4,5]C[5]H)(OC)(O)	O(CC[5]O)	O(CC[6a]HH)(CC[5]O)	C(C[5]N[4,5]C[5]H)(OC)(O)	O(CC[5]O)	O(CC[6a]HH)(CC[5]O)	125.5895	0.400	2	125.5895	0.160	2	124.4555	1.119	80	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C[5]-4:O-2:O-1:	C-3:	C-4:C-3:	C(C[5]N[5,6]C[5]H)(OC)(O)	O(CC[5]O)	O(CC[6a]HH)(CC[5]O)	C(C[5]N[5,6]C[5]H)(OC)(O)	O(CC[5]O)	O(CC[6a]HH)(CC[5]O)	124.7370	0.000	1	124.7370	0.000	1	124.4555	1.119	80	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C[5]-4:O-2:O-1:	C-3:	C[3x6]-4:C-3:	C(C[5]C[5]2C)(OC[3x6])(O)	O(CC[5]O)	O(C[3x6]C[6,6]3)(CC[5]O)	C(C[5]C[5]2C)(OC[3x6])(O)	O(CC[5]O)	O(C[3x6]C[6,6]3)(CC[5]O)	128.3830	0.000	1	128.3830	0.000	1	126.8210	0.906	6	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C[5]-4:O-2:O-1:	C-3:	C[3x6]-4:C-3:	C(C[5]C[5]2O)(OC[3x6])(O)	O(CC[5]O)	O(C[3x6]C[6,6]3)(CC[5]O)	C(C[5]C[5]2O)(OC[3x6])(O)	O(CC[5]O)	O(C[3x6]C[6,6]3)(CC[5]O)	127.1915	0.135	2	127.1915	0.018	2	126.8210	0.906	6	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C[5]-4:O-2:O-1:	C-3:	C[3x6]-4:C-3:	C(C[5]C[5]2S)(OC[3x6])(O)	O(CC[5]O)	O(C[3x6]C[6,6]3)(CC[5]O)	C(C[5]C[5]2S)(OC[3x6])(O)	O(CC[5]O)	O(C[3x6]C[6,6]3)(CC[5]O)	126.0533	0.123	3	126.0533	0.015	3	126.8210	0.906	6	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C[5]-4:O-2:O-1:	C-3:	C[5,6]-4:C-3:	C(C[5]C[5]2H)(OC[5,6])(O)	O(CC[5]O)	O(C[5,6]C[5,5,6]C[5,6]H)(CC[5]O)	C(C[5]C[5]2H)(OC[5,6])(O)	O(CC[5]O)	O(C[5,6]C[5,5,6]C[5,6]H)(CC[5]O)	124.8740	0.000	1	124.8740	0.000	1	124.8740	0.000	1	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C[5]-4:O-2:O-1:	C-3:	C[5]-4:C-3:	C(C[5]C[5]2Fe)(OC[5])(O)	O(CC[5]O)	O(C[5]C[5,5]C[5]H)(CC[5]O)	C(C[5]C[5]2Fe)(OC[5])(O)	O(CC[5]O)	O(C[5]C[5,5]C[5]H)(CC[5]O)	123.0817	0.219	4	123.0817	0.048	4	123.0774	0.036	5	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C[5]-4:O-2:O-1:	C-3:	C[5]-4:C-3:	C(C[5]C[5]2H)(OC[5])(O)	O(CC[5]O)	O(C[5]C[5,6]C[5]H)(CC[5]O)	C(C[5]C[5]2H)(OC[5])(O)	O(CC[5]O)	O(C[5]C[5,6]C[5]H)(CC[5]O)	123.0600	0.000	1	123.0600	0.000	1	123.0774	0.036	5	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C[5]-4:O-2:O-1:	C-3:	C[6]-4:C-3:	C(C[5]C[5]2Fe)(OC[6])(O)	O(CC[5]O)	O(C[6]C[6,6a]C[6]H)(CC[5]O)	C(C[5]C[5]2Fe)(OC[6])(O)	O(CC[5]O)	O(C[6]C[6,6a]C[6]H)(CC[5]O)	123.5430	0.000	1	123.5430	0.000	1	124.5448	1.318	14	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C[5]-4:O-2:O-1:	C-3:	C[6]-4:C-3:	C(C[5]C[5]2Fe)(OC[6])(O)	O(CC[5]O)	O(C[6]C[6]2H)(CC[5]O)	C(C[5]C[5]2Fe)(OC[6])(O)	O(CC[5]O)	O(C[6]C[6]2H)(CC[5]O)	124.0685	0.262	2	124.0685	0.069	2	124.5448	1.318	14	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C[5]-4:O-2:O-1:	C-3:	C[6]-4:C-3:	C(C[5]C[5]2H)(OC[6])(O)	O(CC[5]O)	O(C[6]C[6]2H)(CC[5]O)	C(C[5]C[5]2H)(OC[6])(O)	O(CC[5]O)	O(C[6]C[6]2H)(CC[5]O)	124.9488	0.736	4	124.9488	0.542	4	124.5448	1.318	14	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C[5]-4:O-2:O-1:	C-3:	C[6]-4:C-3:	C(C[5]C[5]N[5]C)(OC[6])(O)	O(CC[5]O)	O(C[6]C[6]2H)(CC[5]O)	C(C[5]C[5]N[5]C)(OC[6])(O)	O(CC[5]O)	O(C[6]C[6]2H)(CC[5]O)	123.0750	0.000	1	123.0750	0.000	1	124.5448	1.318	14	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C[5]-4:O-2:O-1:	C-3:	C[6]-4:C-3:	C(C[5]C[5]N[5]H)(OC[6])(O)	O(CC[5]O)	O(C[6]C[6,6]C[6]H)(CC[5]O)	C(C[5]C[5]N[5]H)(OC[6])(O)	O(CC[5]O)	O(C[6]C[6,6]C[6]H)(CC[5]O)	125.5620	0.000	1	125.5620	0.000	1	124.5448	1.318	14	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C[5]-4:O-2:O-1:	C-3:	C[6]-4:C-3:	C(C[5]C[5]O[5]H)(OC[6])(O)	O(CC[5]O)	O(C[6]C[6]2H)(CC[5]O)	C(C[5]C[5]O[5]H)(OC[6])(O)	O(CC[5]O)	O(C[6]C[6]2H)(CC[5]O)	125.7130	0.000	1	125.7130	0.000	1	124.5448	1.318	14	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C[5]-4:O-2:O-1:	C-3:	C[6]-4:C-3:	C(C[5]C[5]P[5]Ru)(OC[6])(O)	O(CC[5]O)	O(C[6]C[6]2H)(CC[5]O)	C(C[5]C[5]P[5]Ru)(OC[6])(O)	O(CC[5]O)	O(C[6]C[6]2H)(CC[5]O)	123.0015	0.022	2	123.0015	0.000	2	124.5448	1.318	14	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C[5]-4:O-2:O-1:	C-3:	C[6]-4:C-3:	C(C[5]C[5a]C[5]N[5])(OC[6])(O)	O(CC[5]O)	O(C[6]C[6]2H)(CC[5]O)	C(C[5]C[5a]C[5]N[5])(OC[6])(O)	O(CC[5]O)	O(C[6]C[6]2H)(CC[5]O)	125.4920	0.000	1	125.4920	0.000	1	124.5448	1.318	14	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C[5]-4:O-2:O-1:	C-3:	C[6]-4:C-3:	C(C[5]O[5]S[5]H)(OC[6])(O)	O(CC[5]O)	O(C[6]C[6]2H)(CC[5]O)	C(C[5]O[5]S[5]H)(OC[6])(O)	O(CC[5]O)	O(C[6]C[6]2H)(CC[5]O)	126.3070	0.000	1	126.3070	0.000	1	124.5448	1.318	14	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C[6,6]-4:O-2:O-1:	C-3:	C-4:C-3:	C(C[6,6]C[6,6]C[6]2)(OC)(O)	O(CC[6,6]O)	O(CC[6a]HH)(CC[6,6]O)	C(C[6,6]C[6,6]C[6]2)(OC)(O)	O(CC[6,6]O)	O(CC[6a]HH)(CC[6,6]O)	122.1887	0.382	3	122.1887	0.146	3	122.1887	0.146	3	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C[6,6]-4:O-2:O-1:	C-3:	C[5]-4:C-3:	C(C[6,6]C[3x6]C[6,6]H)(OC[5])(O)	O(CC[6,6]O)	O(C[5]C[5,5]C[5]H)(CC[6,6]O)	C(C[6,6]C[3x6]C[6,6]H)(OC[5])(O)	O(CC[6,6]O)	O(C[5]C[5,5]C[5]H)(CC[6,6]O)	123.5180	0.034	2	123.5180	0.001	2	123.5180	0.001	2	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C[6]-4:O-2:O-1:	C-3:	C-4:C-3:	C(C[6]C[5,6]C[6]H)(OC)(O)	O(CC[6]O)	O(CC[6a]HH)(CC[6]O)	C(C[6]C[5,6]C[6]H)(OC)(O)	O(CC[6]O)	O(CC[6a]HH)(CC[6]O)	123.8310	0.000	1	123.8310	0.000	1	123.7112	1.368	31	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C[6]-4:O-2:O-1:	C-3:	C-4:C-3:	C(C[6]C[5a,6]N[6]C)(OC)(O)	O(CC[6]O)	O(CC[6a]HH)(CC[6]O)	C(C[6]C[5a,6]N[6]C)(OC)(O)	O(CC[6]O)	O(CC[6a]HH)(CC[6]O)	123.1640	0.000	1	123.1640	0.000	1	123.7112	1.368	31	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C[6]-4:O-2:O-1:	C-3:	C-4:C-3:	C(C[6]C[6,6]C[6]C)(OC)(O)	O(CC[6]O)	O(CC[5a]HH)(CC[6]O)	C(C[6]C[6,6]C[6]C)(OC)(O)	O(CC[6]O)	O(CC[5a]HH)(CC[6]O)	122.0670	0.000	1	122.0670	0.000	1	123.7112	1.368	31	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C[6]-4:O-2:O-1:	C-3:	C-4:C-3:	C(C[6]C[6,6]C[6]C)(OC)(O)	O(CC[6]O)	O(CC[6a]HH)(CC[6]O)	C(C[6]C[6,6]C[6]C)(OC)(O)	O(CC[6]O)	O(CC[6a]HH)(CC[6]O)	122.5180	0.000	1	122.5180	0.000	1	123.7112	1.368	31	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C[6]-4:O-2:O-1:	C-3:	C-4:C-3:	C(C[6]C[6,6a]N[6]C)(OC)(O)	O(CC[6]O)	O(CC[6]HH)(CC[6]O)	C(C[6]C[6,6a]N[6]C)(OC)(O)	O(CC[6]O)	O(CC[6]HH)(CC[6]O)	124.9490	0.000	1	124.9490	0.000	1	123.7112	1.368	31	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C[6]-4:O-2:O-1:	C-3:	C-4:C-3:	C(C[6]C[6]2C)(OC)(O)	O(CC[6]O)	O(CC[6a]CH)(CC[6]O)	C(C[6]C[6]2C)(OC)(O)	O(CC[6]O)	O(CC[6a]CH)(CC[6]O)	120.5390	0.000	1	120.5390	0.000	1	123.7112	1.368	31	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C[6]-4:O-2:O-1:	C-3:	C-4:C-3:	C(C[6]C[6]2C)(OC)(O)	O(CC[6]O)	O(CC[6a]HH)(CC[6]O)	C(C[6]C[6]2C)(OC)(O)	O(CC[6]O)	O(CC[6a]HH)(CC[6]O)	123.6707	0.919	4	123.6707	0.844	4	123.7112	1.368	31	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C[6]-4:O-2:O-1:	C-3:	C-4:C-3:	C(C[6]C[6]2H)(OC)(O)	O(CC[6]O)	O(CC[5]HH)(CC[6]O)	C(C[6]C[6]2H)(OC)(O)	O(CC[6]O)	O(CC[5]HH)(CC[6]O)	122.2930	0.000	1	122.2930	0.000	1	123.7112	1.368	31	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C[6]-4:O-2:O-1:	C-3:	C-4:C-3:	C(C[6]C[6]2H)(OC)(O)	O(CC[6]O)	O(CC[6a]CH)(CC[6]O)	C(C[6]C[6]2H)(OC)(O)	O(CC[6]O)	O(CC[6a]CH)(CC[6]O)	124.0667	0.406	4	124.0667	0.164	4	123.7112	1.368	31	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C[6]-4:O-2:O-1:	C-3:	C-4:C-3:	C(C[6]C[6]2H)(OC)(O)	O(CC[6]O)	O(CC[6a]HH)(CC[6]O)	C(C[6]C[6]2H)(OC)(O)	O(CC[6]O)	O(CC[6a]HH)(CC[6]O)	123.5429	1.122	9	123.5429	1.260	9	123.7112	1.368	31	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C[6]-4:O-2:O-1:	C-3:	C-4:C-3:	C(C[6]C[6]N[6]C)(OC)(O)	O(CC[6]O)	O(CC[6a]HH)(CC[6]O)	C(C[6]C[6]N[6]C)(OC)(O)	O(CC[6]O)	O(CC[6a]HH)(CC[6]O)	123.6090	0.000	1	123.6090	0.000	1	123.7112	1.368	31	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C[6]-4:O-2:O-1:	C-3:	C-4:C-3:	C(C[6]C[6]O[6]H)(OC)(O)	O(CC[6]O)	O(CC[6a]HH)(CC[6]O)	C(C[6]C[6]O[6]H)(OC)(O)	O(CC[6]O)	O(CC[6a]HH)(CC[6]O)	124.6493	0.376	3	124.6493	0.141	3	123.7112	1.368	31	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C[6]-4:O-2:O-1:	C-3:	C-4:C-3:	C(C[6]N[4,6]C[6]H)(OC)(O)	O(CC[6]O)	O(CC[6a]2H)(CC[6]O)	C(C[6]N[4,6]C[6]H)(OC)(O)	O(CC[6]O)	O(CC[6a]2H)(CC[6]O)	125.0980	0.451	3	125.0980	0.203	3	123.7112	1.368	31	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C[6]-4:O-2:O-1:	C-3:	C[3,6]-4:C-3:	C(C[6]C[6]2H)(OC[3,6])(O)	O(CC[6]O)	O(C[3,6]C[3,6]N[3]O[6])(CC[6]O)	C(C[6]C[6]2H)(OC[3,6])(O)	O(CC[6]O)	O(C[3,6]C[3,6]N[3]O[6])(CC[6]O)	120.8900	0.000	1	120.8900	0.000	1	120.8900	0.000	1	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C[6]-4:O-2:O-1:	C-3:	C[3x6]-4:C-3:	C(C[6]C[6]2Cl)(OC[3x6])(O)	O(CC[6]O)	O(C[3x6]C[6,6]3)(CC[6]O)	C(C[6]C[6]2Cl)(OC[3x6])(O)	O(CC[6]O)	O(C[3x6]C[6,6]3)(CC[6]O)	126.9240	0.000	1	126.9240	0.000	1	127.1193	0.030	3	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C[6]-4:O-2:O-1:	C-3:	C[3x6]-4:C-3:	C(C[6]C[6]2Se)(OC[3x6])(O)	O(CC[6]O)	O(C[3x6]C[6,6]3)(CC[6]O)	C(C[6]C[6]2Se)(OC[3x6])(O)	O(CC[6]O)	O(C[3x6]C[6,6]3)(CC[6]O)	127.2170	0.044	2	127.2170	0.002	2	127.1193	0.030	3	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C[6]-4:O-2:O-1:	C-3:	C[5,6]-4:C-3:	C(C[6]C[6]2H)(OC[5,6])(O)	O(CC[6]O)	O(C[5,6]C[5,5,6]C[5,6]H)(CC[6]O)	C(C[6]C[6]2H)(OC[5,6])(O)	O(CC[6]O)	O(C[5,6]C[5,5,6]C[5,6]H)(CC[6]O)	125.6170	0.000	1	125.6170	0.000	1	125.6170	0.000	1	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C[6]-4:O-2:O-1:	C-3:	C[5]-4:C-3:	C(C[6]C[5,6]C[6]H)(OC[5])(O)	O(CC[6]O)	O(C[5]C[5]2H)(CC[6]O)	C(C[6]C[5,6]C[6]H)(OC[5])(O)	O(CC[6]O)	O(C[5]C[5]2H)(CC[6]O)	122.4740	0.000	1	122.4740	0.000	1	123.1713	2.606	3	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C[6]-4:O-2:O-1:	C-3:	C[5]-4:C-3:	C(C[6]C[6]2H)(OC[5])(O)	O(CC[6]O)	O(C[5]C[5,6]C[5]H)(CC[6]O)	C(C[6]C[6]2H)(OC[5])(O)	O(CC[6]O)	O(C[5]C[5,6]C[5]H)(CC[6]O)	122.0230	0.000	1	122.0230	0.000	1	123.1713	2.606	3	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C[6]-4:O-2:O-1:	C-3:	C[5]-4:C-3:	C(C[6]C[6]O[6]H)(OC[5])(O)	O(CC[6]O)	O(C[5]C[5]2H)(CC[6]O)	C(C[6]C[6]O[6]H)(OC[5])(O)	O(CC[6]O)	O(C[5]C[5]2H)(CC[6]O)	125.0170	0.000	1	125.0170	0.000	1	123.1713	2.606	3	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C[6]-4:O-2:O-1:	C-3:	C[6]-4:C-3:	C(C[6]C[6,6]C[6]C)(OC[6])(O)	O(CC[6]O)	O(C[6]C[6]O[6]H)(CC[6]O)	C(C[6]C[6,6]C[6]C)(OC[6])(O)	O(CC[6]O)	O(C[6]C[6]O[6]H)(CC[6]O)	122.8280	0.000	1	122.8280	0.000	1	123.8983	0.219	9	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C[6]-4:O-2:O-1:	C-3:	C[6]-4:C-3:	C(C[6]C[6]2C)(OC[6])(O)	O(CC[6]O)	O(C[6]C[6]2H)(CC[6]O)	C(C[6]C[6]2C)(OC[6])(O)	O(CC[6]O)	O(C[6]C[6]2H)(CC[6]O)	123.8640	0.113	3	123.8640	0.013	3	123.8983	0.219	9	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C[6]-4:O-2:O-1:	C-3:	C[6]-4:C-3:	C(C[6]C[6]2Cl)(OC[6])(O)	O(CC[6]O)	O(C[6]C[6]2H)(CC[6]O)	C(C[6]C[6]2Cl)(OC[6])(O)	O(CC[6]O)	O(C[6]C[6]2H)(CC[6]O)	124.0350	0.000	1	124.0350	0.000	1	123.8983	0.219	9	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	C[6]-4:O-2:O-1:	C-3:	C[6]-4:C-3:	C(C[6]C[6]2H)(OC[6])(O)	O(CC[6]O)	O(C[6]C[6]2H)(CC[6]O)	C(C[6]C[6]2H)(OC[6])(O)	O(CC[6]O)	O(C[6]C[6]2H)(CC[6]O)	124.1575	0.311	4	124.1575	0.097	4	123.8983	0.219	9	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	N-4:O-2:O-1:	C-3:	B-4:C-3:	C(NC3)(OB)(O)	O(CNO)	O(BC[6a]3)(CNO)	C(NC3)(OB)(O)	O(CNO)	O(BC[6a]3)(CNO)	133.0610	0.000	1	133.0610	0.000	1	133.0610	0.000	1	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	N-4:O-2:O-1:	C-3:	C-4:C-3:	C(NCo2H)(OC)(O)	O(CNO)	O(CC3)(CNO)	C(NCo2H)(OC)(O)	O(CNO)	O(CC3)(CNO)	123.4005	1.541	2	123.4005	2.374	2	123.4005	2.374	2	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	P-4:O-2:O-1:	C-3:	B-4:C-3:	C(PC3)(OB)(O)	O(COP)	O(BC[6a]2O)(COP)	C(PC3)(OB)(O)	O(COP)	O(BC[6a]2O)(COP)	127.7755	0.820	2	127.7755	0.672	2	127.9328	0.834	5	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	P-4:O-2:O-1:	C-3:	B-4:C-3:	C(PCCN)(OB)(O)	O(COP)	O(BC[6a]3)(COP)	C(PCCN)(OB)(O)	O(COP)	O(BC[6a]3)(COP)	126.7360	0.000	1	126.7360	0.000	1	127.9328	0.834	5	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	P-4:O-2:O-1:	C-3:	B-4:C-3:	C(PC[6a]2C)(OB)(O)	O(COP)	O(BC[6a]3)(COP)	C(PC[6a]2C)(OB)(O)	O(COP)	O(BC[6a]3)(COP)	128.8330	0.000	1	128.8330	0.000	1	127.9328	0.834	5	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	P-4:O-2:O-1:	C-3:	B-4:C-3:	C(PC[6a]C[6]2)(OB)(O)	O(COP)	O(BC[6a]3)(COP)	C(PC[6a]C[6]2)(OB)(O)	O(COP)	O(BC[6a]3)(COP)	128.5440	0.000	1	128.5440	0.000	1	127.9328	0.834	5	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	4:3:	P-4:O-2:O-1:	C-3:	P-4:C-3:	C(PPtCC)(OP)(O)	O(COP)	O(PPtNN)(COP)	C(PPtCC)(OP)(O)	O(COP)	O(PPtNN)(COP)	120.0445	0.288	2	120.0445	0.083	2	120.0445	0.083	2	123.8664	3.150	5893	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	5:3:	C-4:O-2:O-1:	C-3:	As-5:C-3:	C(CH3)(OAs)(O)	O(CCO)	O(AsC[6a]3O)(CCO)	C(CH3)(OAs)(O)	O(CCO)	O(AsC[6a]3O)(CCO)	123.6975	0.117	2	123.6975	0.014	2	123.6975	0.014	2	123.5951	0.279	7	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	5:3:	C-4:O-2:O-1:	C-3:	C[3]-5:C-3:	C(CC[3]HH)(OC[3])(O)	O(CCO)	O(C[3]H[3]2CH)(CCO)	C(CC[3]HH)(OC[3])(O)	O(CCO)	O(C[3]H[3]2CH)(CCO)	123.0060	0.000	1	123.0060	0.000	1	123.0060	0.000	1	123.5951	0.279	7	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	5:3:	C-4:O-2:O-1:	C-3:	In-5:C-3:	C(CHHN)(OIn)(O)	O(CCO)	O(InO4)(CCO)	C(CHHN)(OIn)(O)	O(CCO)	O(InO4)(CCO)	123.8430	0.699	3	123.8430	0.488	3	123.8430	0.488	3	123.5951	0.279	7	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	5:3:	C-4:O-2:O-1:	C-3:	Nb-5:C-3:	C(CC3)(ONb)(O)	O(CCO)	O(NbN4)(CCO)	C(CC3)(ONb)(O)	O(CCO)	O(NbN4)(CCO)	123.2360	0.000	1	123.2360	0.000	1	123.2360	0.000	1	123.5951	0.279	7	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	4:2:1:	3:	6:3:	C-4:O-2:O-1:	C-3:	In-6:C-3:	C(CC[6a]HH)(OIn)(O)	O(CCO)	O(InN3OO)(CCO)	C(CC[6a]HH)(OIn)(O)	O(CCO)	O(InN3OO)(CCO)	123.0425	2.299	2	123.0425	5.285	2	123.0425	5.285	2	123.0425	5.285	2	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	5:2:1:	3:	3:4:	C[3,3,5,5x6]-5:O-2:O-1:	C-3:	C-3:C-4:	C(C[3,3,5,5x6]B[4x3,3x5,12x6]B[3x3,5,5,9x6]B[5x3,5,5,7x6]Ru)(OC)(O)	O(CC[3,3,5,5x6]O)	O(CC[3,3,5,5x6]O)(CH3)	C(C[3,3,5,5x6]B[4x3,3x5,12x6]B[3x3,5,5,9x6]B[5x3,5,5,7x6]Ru)(OC)(O)	O(CC[3,3,5,5x6]O)	O(CC[3,3,5,5x6]O)(CH3)	124.4365	0.272	2	124.4365	0.074	2	124.4365	0.074	2	124.4365	0.074	2	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	5:2:1:	3:	4:3:	C-5:O-2:O-1:	C-3:	C-4:C-3:	C(CCo2Mo2)(OC)(O)	O(CCO)	O(CH3)(CCO)	C(CCo2Mo2)(OC)(O)	O(CCO)	O(CH3)(CCO)	121.9870	0.000	1	121.9870	0.000	1	121.9870	0.000	1	121.9870	0.000	1	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	6:2:1:	3:	3:1:	C[5x3,5x5,20x6]-6:O-2:O-1:	C-3:	C-3:H-1:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(OH)(O)	O(CC[5x3,5x5,20x6]O)	O(CC[5x3,5x5,20x6]O)(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(OH)(O)	O(CC[5x3,5x5,20x6]O)	O(CC[5x3,5x5,20x6]O)(H)	125.9523	0.454	3	125.9523	0.206	3	125.2123	1.199	6	125.2123	1.199	6	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	6:2:1:	3:	3:1:	C[5x3,5x5,20x6]-6:O-2:O-1:	C-3:	C-3:H-1:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(OH)(O)	O(CC[5x3,5x5,20x6]O)	O(CC[5x3,5x5,20x6]O)(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(OH)(O)	O(CC[5x3,5x5,20x6]O)	O(CC[5x3,5x5,20x6]O)(H)	124.4723	1.072	3	124.4723	1.149	3	125.2123	1.199	6	125.2123	1.199	6	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	6:2:1:	3:	3:4:	C[5x3,5x5,20x6]-6:O-2:O-1:	C-3:	C-3:C-4:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(OC)(O)	O(CC[5x3,5x5,20x6]O)	O(CC[5x3,5x5,20x6]O)(CCHH)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(OC)(O)	O(CC[5x3,5x5,20x6]O)	O(CC[5x3,5x5,20x6]O)(CCHH)	127.2260	0.000	1	127.2260	0.000	1	127.2260	0.000	1	127.2260	0.000	1	123.8348	2.858	39287	123.8348	2.858	39287
930	863	893	0:SP2_SP2_SP2	C	O	O	7:2:1:	3:	3:1:	C-7:O-2:O-1:	C-3:	C-3:H-1:	C(CH6)(OH)(O)	O(CCO)	O(CCO)(H)	C(CH6)(OH)(O)	O(CCO)	O(CCO)(H)	122.8360	0.000	1	122.8360	0.000	1	122.8360	0.000	1	122.8360	0.000	1	123.8348	2.858	39287	123.8348	2.858	39287