961	856	914	6:SP3_SP2_SP2	S[6]	N[6]	N[6]	3:2:1:1:	3:4:3:	4:3:	N[6]-3:N[6]-2:O-1:O-1:	C[6a]-3:S[6]-4:C[6]-3:	S[6]-4:C[6]-3:	S[6](N[6]C[6a]C[6])(N[6]C[6])(O)2	N[6](C[6a]C[6a]2)(S[6]N[6]OO)(C[6]N[6]C)	N[6](S[6]N[6]OO)(C[6]N[6]N)	S[6](N[6]C[6a]C[6])(N[6]C[6])(O)2{1|N<2>,1|N<3>,3|C<3>}	N[6](C[6a]C[6a]2)(S[6]N[6]OO)(C[6]N[6]C){2|H<1>,3|C<3>}	N[6](S[6]N[6]OO)(C[6]N[6]N){2|C<3>}	103.4750	0.000	1	103.4750	0.000	1	103.4750	0.000	1	103.4750	0.000	1	104.1510	1.082	5	104.1510	1.082	5
961	856	914	6:SP3_SP2_SP2	S[6]	N[6]	N[6]	3:2:1:1:	4:3:1:	4:3:	N[6]-3:N[6]-2:O-1:O-1:	S[6]-4:C[6]-3:H-1:	S[6]-4:C[6]-3:	S[6](N[6]C[6]H)(N[6]C[6])(O)2	N[6](S[6]N[6]OO)(C[6]C[6]C)(H)	N[6](S[6]N[6]OO)(C[6]C[6]C)	S[6](N[6]C[6]H)(N[6]C[6])(O)2{1|C<3>,2|C<4>}	N[6](S[6]N[6]OO)(C[6]C[6]C)(H){2|C<3>}	N[6](S[6]N[6]OO)(C[6]C[6]C){1|H<1>,2|C<3>}	103.2020	0.000	1	103.2020	0.000	1	103.2020	0.000	1	103.2020	0.000	1	104.1510	1.082	5	104.1510	1.082	5
961	856	914	6:SP3_SP2_SP2	S[6]	N[6]	N[6]	3:2:1:1:	4:3:4:	4:3:	N[6]-3:N[6]-2:O-1:O-1:	S[6]-4:C[6]-3:C-4:	S[6]-4:C[6]-3:	S[6](N[6]C[6]C)(N[6]C[6])(O)2	N[6](S[6]N[6]OO)(C[6]C[6]C)(CH3)	N[6](S[6]N[6]OO)(C[6]C[6]C)	S[6](N[6]C[6]C)(N[6]C[6])(O)2{1|C<3>,2|C<4>}	N[6](S[6]N[6]OO)(C[6]C[6]C)(CH3){2|C<3>}	N[6](S[6]N[6]OO)(C[6]C[6]C){1|C<4>,2|C<3>}	105.2540	0.448	2	105.2540	0.201	2	104.6927	1.046	3	104.6927	1.046	3	104.1510	1.082	5	104.1510	1.082	5
961	856	914	6:SP3_SP2_SP2	S[6]	N[6]	N[6]	3:2:1:1:	4:3:4:	4:3:	N[6]-3:N[6]-2:O-1:O-1:	S[6]-4:C[6]-3:C-4:	S[6]-4:C[6]-3:	S[6](N[6]C[6]C)(N[6]C[6])(O)2	N[6](S[6]N[6]OO)(C[6]C[6]H)(CC[5a]HH)	N[6](S[6]N[6]OO)(C[6]C[6]C)	S[6](N[6]C[6]C)(N[6]C[6])(O)2{1|C<3>,1|C<4>,1|H<1>}	N[6](S[6]N[6]OO)(C[6]C[6]H)(CC[5a]HH){2|C<3>}	N[6](S[6]N[6]OO)(C[6]C[6]C){1|C<4>,2|C<3>}	103.5700	0.000	1	103.5700	0.000	1	104.6927	1.046	3	104.6927	1.046	3	104.1510	1.082	5	104.1510	1.082	5
961	856	914	6:SP3_SP2_SP3	S[6]	N[6,6]	N[6]	3:2:1:1:	4:4:4:	4:4:	N[6,6]-3:N[6]-2:O-1:O-1:	C[6,6]-4:C[6]-4:S[6]-4:	S[6]-4:C[6]-4:	S[6](N[6,6]C[6,6]C[6])(N[6]C[6])(O)2	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(S[6]N[6]OO)	N[6](S[6]N[6,6]OO)(C[6]C[6]CH)	S[6](N[6,6]C[6,6]C[6])(N[6]C[6])(O)2{4|C<4>,4|H<1>}	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(S[6]N[6]OO){1|C<4>,1|O<2>,6|H<1>}	N[6](S[6]N[6,6]OO)(C[6]C[6]CH){2|C<4>,2|H<1>}	103.8250	0.107	2	103.8250	0.012	2	103.8250	0.012	2	103.8250	0.012	2	103.8250	0.012	2	104.7230	2.425	3
961	856	914	6:SP3_SP2_SP3	S[6]	N[6]	N[6]	3:2:1:1:	3:4:4:	4:3:	N[6]-3:N[6]-2:O-1:O-1:	C[6a]-3:C[6]-4:S[6]-4:	S[6]-4:C[6]-3:	S[6](N[6]C[6a]C[6])(N[6]C[6])(O)2	N[6](C[6a]C[6a]2)(C[6]N[6]CC)(S[6]N[6]OO)	N[6](S[6]N[6]OO)(C[6]N[6]N)	S[6](N[6]C[6a]C[6])(N[6]C[6])(O)2{1|C<4>,2|N<3>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]N[6]CC)(S[6]N[6]OO){3|C<3>,3|H<1>}	N[6](S[6]N[6]OO)(C[6]N[6]N){1|C<3>,1|C<4>,1|H<1>}	106.5190	0.000	1	106.5190	0.000	1	106.5190	0.000	1	106.5190	0.000	1	106.5190	0.000	1	104.7230	2.425	3
961	863	863	0:SP3_SP2_SP2	S[6,6]	O	O	3:3:1:1:	4:	4:	N[3x6]-3:N[3x6]-3:O-1:O-1:	S[6,6]-4:	S[6,6]-4:	S[6,6](N[3x6]C[6,6]2)2(O)2	O(S[6,6]N[3x6]2O)	O(S[6,6]N[3x6]2O)	S[6,6](N[3x6]C[6,6]2)2(O)2{1|N<3>,1|P<4>,8|H<1>}	O(S[6,6]N[3x6]2O)	O(S[6,6]N[3x6]2O)	120.8847	0.278	3	120.8847	0.078	3	120.8847	0.078	3	120.8847	0.078	3	120.9180	0.056	4	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6,6]	O	O	4:3:1:1:	4:	4:	N[3x6]-4:N[3x6]-3:O-1:O-1:	S[6,6]-4:	S[6,6]-4:	S[6,6](N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(O)2	O(S[6,6]N[3x6]2O)	O(S[6,6]N[3x6]2O)	S[6,6](N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(O)2{1|N<3>,1|P<4>,8|H<1>}	O(S[6,6]N[3x6]2O)	O(S[6,6]N[3x6]2O)	121.0180	0.000	1	121.0180	0.000	1	121.0180	0.000	1	121.0180	0.000	1	120.9180	0.056	4	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	2:2:1:1:	4:	4:	N[6]-2:O[6]-2:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](N[6]C[6])(O[6]C[6])(O)2	O(S[6]N[6]O[6]O)	O(S[6]N[6]O[6]O)	S[6](N[6]C[6])(O[6]C[6])(O)2{1|C<3>,1|C<4>,1|O<1>}	O(S[6]N[6]O[6]O)	O(S[6]N[6]O[6]O)	116.5883	0.812	9	116.7684	0.714	12	116.7684	0.714	12	118.4475	3.078	33	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	2:2:1:1:	4:	4:	N[6]-2:O[6]-2:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](N[6]C[6])(O[6]C[6])(O)2	O(S[6]N[6]O[6]O)	O(S[6]N[6]O[6]O)	S[6](N[6]C[6])(O[6]C[6])(O)2{1|C<3>,1|C<4>,1|O<2>}	O(S[6]N[6]O[6]O)	O(S[6]N[6]O[6]O)	116.9070	0.666	2	116.7684	0.714	12	116.7684	0.714	12	118.4475	3.078	33	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	2:2:1:1:	4:	4:	N[6]-2:O[6]-2:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](N[6]C[6])(O[6]C[6])(O)2	O(S[6]N[6]O[6]O)	O(S[6]N[6]O[6]O)	S[6](N[6]C[6])(O[6]C[6])(O)2{2|C<3>,2|H<1>}	O(S[6]N[6]O[6]O)	O(S[6]N[6]O[6]O)	118.1120	0.000	1	116.7684	0.714	12	116.7684	0.714	12	118.4475	3.078	33	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	2:2:1:1:	4:	4:	O[6]-2:N[6]-2:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](O[6]C[5a,6])(N[6]C[6])(O)2	O(S[6]N[6]O[6]O)	O(S[6]N[6]O[6]O)	S[6](O[6]C[5a,6])(N[6]C[6])(O)2{1|C<3>,2|N<3>}	O(S[6]N[6]O[6]O)	O(S[6]N[6]O[6]O)	118.6655	0.278	2	118.6655	0.077	2	119.2237	1.747	17	118.4475	3.078	33	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	2:2:1:1:	4:	4:	O[6]-2:N[6]-2:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](O[6]C[6,6a])(N[6]C[6])(O)2	O(S[6]N[6]O[6]O)	O(S[6]N[6]O[6]O)	S[6](O[6]C[6,6a])(N[6]C[6])(O)2{1|C<4>,1|H<1>,2|C<3>}	O(S[6]N[6]O[6]O)	O(S[6]N[6]O[6]O)	117.6445	3.618	2	119.2981	1.940	15	119.2237	1.747	17	118.4475	3.078	33	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	2:2:1:1:	4:	4:	O[6]-2:N[6]-2:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](O[6]C[6,6a])(N[6]C[6])(O)2	O(S[6]N[6]O[6]O)	O(S[6]N[6]O[6]O)	S[6](O[6]C[6,6a])(N[6]C[6])(O)2{1|C<4>,2|C<3>}	O(S[6]N[6]O[6]O)	O(S[6]N[6]O[6]O)	119.4099	0.446	7	119.2981	1.940	15	119.2237	1.747	17	118.4475	3.078	33	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	2:2:1:1:	4:	4:	O[6]-2:N[6]-2:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](O[6]C[6,6a])(N[6]C[6])(O)2	O(S[6]N[6]O[6]O)	O(S[6]N[6]O[6]O)	S[6](O[6]C[6,6a])(N[6]C[6])(O)2{1|H<1>,3|C<3>}	O(S[6]N[6]O[6]O)	O(S[6]N[6]O[6]O)	120.4810	0.000	1	119.2981	1.940	15	119.2237	1.747	17	118.4475	3.078	33	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	2:2:1:1:	4:	4:	O[6]-2:N[6]-2:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](O[6]C[6,6a])(N[6]C[6])(O)2	O(S[6]N[6]O[6]O)	O(S[6]N[6]O[6]O)	S[6](O[6]C[6,6a])(N[6]C[6])(O)2{1|N<3>,2|C<3>}	O(S[6]N[6]O[6]O)	O(S[6]N[6]O[6]O)	118.5430	0.000	1	119.2981	1.940	15	119.2237	1.747	17	118.4475	3.078	33	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	2:2:1:1:	4:	4:	O[6]-2:N[6]-2:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](O[6]C[6,6a])(N[6]C[6])(O)2	O(S[6]N[6]O[6]O)	O(S[6]N[6]O[6]O)	S[6](O[6]C[6,6a])(N[6]C[6])(O)2{1|P<4>,3|C<3>}	O(S[6]N[6]O[6]O)	O(S[6]N[6]O[6]O)	118.5840	0.000	1	119.2981	1.940	15	119.2237	1.747	17	118.4475	3.078	33	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	2:2:1:1:	4:	4:	O[6]-2:N[6]-2:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](O[6]C[6,6a])(N[6]C[6])(O)2	O(S[6]N[6]O[6]O)	O(S[6]N[6]O[6]O)	S[6](O[6]C[6,6a])(N[6]C[6])(O)2{2|C<3>,2|C<4>}	O(S[6]N[6]O[6]O)	O(S[6]N[6]O[6]O)	120.5820	0.000	1	119.2981	1.940	15	119.2237	1.747	17	118.4475	3.078	33	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	2:2:1:1:	4:	4:	O[6]-2:N[6]-2:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](O[6]C[6,6a])(N[6]C[6])(O)2	O(S[6]N[6]O[6]O)	O(S[6]N[6]O[6]O)	S[6](O[6]C[6,6a])(N[6]C[6])(O)2{3|C<3>}	O(S[6]N[6]O[6]O)	O(S[6]N[6]O[6]O)	119.0550	0.000	1	119.2981	1.940	15	119.2237	1.747	17	118.4475	3.078	33	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	2:2:1:1:	4:	4:	O[6]-2:N[6]-2:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](O[6]C[6,6a])(N[6]C[6])(O)2	O(S[6]N[6]O[6]O)	O(S[6]N[6]O[6]O)	S[6](O[6]C[6,6a])(N[6]C[6])(O)2{4|C<3>}	O(S[6]N[6]O[6]O)	O(S[6]N[6]O[6]O)	121.0690	0.000	1	119.2981	1.940	15	119.2237	1.747	17	118.4475	3.078	33	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	2:2:1:1:	4:	4:	O[6]-2:O[6]-2:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](O[6]C[3x6])2(O)2	O(S[6]O[6]2O)	O(S[6]O[6]2O)	S[6](O[6]C[3x6])2(O)2{2|H<1>,3|C<4>}	O(S[6]O[6]2O)	O(S[6]O[6]2O)	120.1730	0.000	1	120.1730	0.000	1	120.1855	2.176	4	118.4475	3.078	33	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	2:2:1:1:	4:	4:	O[6]-2:O[6]-2:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](O[6]C[6,6a])2(O)2	O(S[6]O[6]2O)	O(S[6]O[6]2O)	S[6](O[6]C[6,6a])2(O)2{3|C<3>}	O(S[6]O[6]2O)	O(S[6]O[6]2O)	122.1390	0.000	1	122.1390	0.000	1	120.1855	2.176	4	118.4475	3.078	33	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	2:2:1:1:	4:	4:	O[6]-2:O[6]-2:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](O[6]C[6])2(O)2	O(S[6]O[6]2O)	O(S[6]O[6]2O)	S[6](O[6]C[6])2(O)2{1|C<4>,4|H<1>}	O(S[6]O[6]2O)	O(S[6]O[6]2O)	119.8580	0.000	1	119.2150	0.827	2	120.1855	2.176	4	118.4475	3.078	33	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	2:2:1:1:	4:	4:	O[6]-2:O[6]-2:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](O[6]C[6])2(O)2	O(S[6]O[6]2O)	O(S[6]O[6]2O)	S[6](O[6]C[6])2(O)2{2|H<1>,3|C<4>}	O(S[6]O[6]2O)	O(S[6]O[6]2O)	118.5720	0.000	1	119.2150	0.827	2	120.1855	2.176	4	118.4475	3.078	33	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	2:3:1:1:	4:	4:	O[6]-2:C[6]-3:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](O[6]C[6,6a])(C[6]C[6]C)(O)2	O(S[6]C[6]O[6]O)	O(S[6]C[6]O[6]O)	S[6](O[6]C[6,6a])(C[6]C[6]C)(O)2{1|O<1>,2|C<3>}	O(S[6]C[6]O[6]O)	O(S[6]C[6]O[6]O)	117.4100	0.000	1	117.9315	0.544	2	117.9315	0.544	2	120.2060	1.154	22	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	2:3:1:1:	4:	4:	O[6]-2:C[6]-3:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](O[6]C[6,6a])(C[6]C[6]C)(O)2	O(S[6]C[6]O[6]O)	O(S[6]C[6]O[6]O)	S[6](O[6]C[6,6a])(C[6]C[6]C)(O)2{1|O<2>,2|C<3>}	O(S[6]C[6]O[6]O)	O(S[6]C[6]O[6]O)	118.4530	0.000	1	117.9315	0.544	2	117.9315	0.544	2	120.2060	1.154	22	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	2:3:1:1:	4:	4:	O[6]-2:N[6]-3:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](O[6]C[6,6a])(N[6]C[6]C)(O)2	O(S[6]N[6]O[6]O)	O(S[6]N[6]O[6]O)	S[6](O[6]C[6,6a])(N[6]C[6]C)(O)2{1|C<4>,1|H<1>,2|C<3>}	O(S[6]N[6]O[6]O)	O(S[6]N[6]O[6]O)	120.7040	0.000	1	120.0014	1.210	5	120.4334	0.647	20	120.2060	1.154	22	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	2:3:1:1:	4:	4:	O[6]-2:N[6]-3:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](O[6]C[6,6a])(N[6]C[6]C)(O)2	O(S[6]N[6]O[6]O)	O(S[6]N[6]O[6]O)	S[6](O[6]C[6,6a])(N[6]C[6]C)(O)2{1|H<1>,1|O<2>,2|C<3>}	O(S[6]N[6]O[6]O)	O(S[6]N[6]O[6]O)	119.8257	1.187	4	120.0014	1.210	5	120.4334	0.647	20	120.2060	1.154	22	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	2:3:1:1:	4:	4:	O[6]-2:N[6]-3:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](O[6]C[6,6a])(N[6]C[6]H)(O)2	O(S[6]N[6]O[6]O)	O(S[6]N[6]O[6]O)	S[6](O[6]C[6,6a])(N[6]C[6]H)(O)2{1|C<2>,1|H<1>,2|C<3>}	O(S[6]N[6]O[6]O)	O(S[6]N[6]O[6]O)	121.5790	0.000	1	120.5774	0.444	15	120.4334	0.647	20	120.2060	1.154	22	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	2:3:1:1:	4:	4:	O[6]-2:N[6]-3:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](O[6]C[6,6a])(N[6]C[6]H)(O)2	O(S[6]N[6]O[6]O)	O(S[6]N[6]O[6]O)	S[6](O[6]C[6,6a])(N[6]C[6]H)(O)2{1|C<4>,1|H<1>,2|C<3>}	O(S[6]N[6]O[6]O)	O(S[6]N[6]O[6]O)	120.5632	0.636	4	120.5774	0.444	15	120.4334	0.647	20	120.2060	1.154	22	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	2:3:1:1:	4:	4:	O[6]-2:N[6]-3:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](O[6]C[6,6a])(N[6]C[6]H)(O)2	O(S[6]N[6]O[6]O)	O(S[6]N[6]O[6]O)	S[6](O[6]C[6,6a])(N[6]C[6]H)(O)2{1|C<4>,3|C<3>}	O(S[6]N[6]O[6]O)	O(S[6]N[6]O[6]O)	121.3870	0.000	1	120.5774	0.444	15	120.4334	0.647	20	120.2060	1.154	22	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	2:3:1:1:	4:	4:	O[6]-2:N[6]-3:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](O[6]C[6,6a])(N[6]C[6]H)(O)2	O(S[6]N[6]O[6]O)	O(S[6]N[6]O[6]O)	S[6](O[6]C[6,6a])(N[6]C[6]H)(O)2{1|H<1>,3|C<3>}	O(S[6]N[6]O[6]O)	O(S[6]N[6]O[6]O)	120.3640	0.703	7	120.5774	0.444	15	120.4334	0.647	20	120.2060	1.154	22	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	2:3:1:1:	4:	4:	O[6]-2:N[6]-3:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](O[6]C[6,6a])(N[6]C[6]H)(O)2	O(S[6]N[6]O[6]O)	O(S[6]N[6]O[6]O)	S[6](O[6]C[6,6a])(N[6]C[6]H)(O)2{4|C<3>}	O(S[6]N[6]O[6]O)	O(S[6]N[6]O[6]O)	120.4470	0.158	2	120.5774	0.444	15	120.4334	0.647	20	120.2060	1.154	22	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	2:4:1:1:	4:	4:	O[6]-2:C[6]-4:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](O[6]C[6,6a])(C[6]C[6]HH)(O)2	O(S[6]C[6]O[6]O)	O(S[6]C[6]O[6]O)	S[6](O[6]C[6,6a])(C[6]C[6]HH)(O)2{1|H<1>,3|C<3>}	O(S[6]C[6]O[6]O)	O(S[6]C[6]O[6]O)	119.0835	0.345	4	119.0835	0.119	4	119.0835	0.119	4	119.0835	0.119	4	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:2:1:1:	4:	4:	C[6,6]-3:O[6]-2:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[6,6]C[6,6]C[6])(O[6]C[6,6a])(O)2	O(S[6]C[6,6]O[6]O)	O(S[6]C[6,6]O[6]O)	S[6](C[6,6]C[6,6]C[6])(O[6]C[6,6a])(O)2{1|H<1>,1|O<2>,4|C<3>}	O(S[6]C[6,6]O[6]O)	O(S[6]C[6,6]O[6]O)	119.1380	0.000	1	119.1380	0.000	1	119.1380	0.000	1	118.4154	5.114	77	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:2:1:1:	4:	4:	C[6,6a]-3:N[6]-2:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6])(O)2	O(S[6]C[6,6a]N[6]O)	O(S[6]C[6,6a]N[6]O)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6])(O)2{1|Cl<1>,2|C<3>,2|N<3>}	O(S[6]C[6,6a]N[6]O)	O(S[6]C[6,6a]N[6]O)	116.2490	0.000	1	117.5335	3.300	2	116.4784	2.618	27	118.4154	5.114	77	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:2:1:1:	4:	4:	C[6,6a]-3:N[6]-2:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6])(O)2	O(S[6]C[6,6a]N[6]O)	O(S[6]C[6,6a]N[6]O)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6])(O)2{1|H<1>,4|C<3>}	O(S[6]C[6,6a]N[6]O)	O(S[6]C[6,6a]N[6]O)	118.8180	0.000	1	117.5335	3.300	2	116.4784	2.618	27	118.4154	5.114	77	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:2:1:1:	4:	4:	C[6,6a]-3:N[6]-2:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6])(O)2	O(S[6]C[6,6a]N[6]O)	O(S[6]C[6,6a]N[6]O)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6])(O)2{1|H<1>,4|C<3>}	O(S[6]C[6,6a]N[6]O)	O(S[6]C[6,6a]N[6]O)	118.4620	0.000	1	118.4620	0.000	1	116.4784	2.618	27	118.4154	5.114	77	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:2:1:1:	4:	4:	C[6,6a]-3:N[6]-2:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2	O(S[6]C[6,6a]N[6]O)	O(S[6]C[6,6a]N[6]O)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2{1|C<3>,1|N<2>,1|N<3>,3|H<1>}	O(S[6]C[6,6a]N[6]O)	O(S[6]C[6,6a]N[6]O)	118.9900	0.000	1	116.3079	2.518	24	116.4784	2.618	27	118.4154	5.114	77	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:2:1:1:	4:	4:	C[6,6a]-3:N[6]-2:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2	O(S[6]C[6,6a]N[6]O)	O(S[6]C[6,6a]N[6]O)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2{1|C<4>,1|H<1>,1|N<2>,2|C<3>}	O(S[6]C[6,6a]N[6]O)	O(S[6]C[6,6a]N[6]O)	116.7100	0.000	1	116.3079	2.518	24	116.4784	2.618	27	118.4154	5.114	77	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:2:1:1:	4:	4:	C[6,6a]-3:N[6]-2:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2	O(S[6]C[6,6a]N[6]O)	O(S[6]C[6,6a]N[6]O)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	O(S[6]C[6,6a]N[6]O)	O(S[6]C[6,6a]N[6]O)	115.5605	0.315	2	116.3079	2.518	24	116.4784	2.618	27	118.4154	5.114	77	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:2:1:1:	4:	4:	C[6,6a]-3:N[6]-2:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2	O(S[6]C[6,6a]N[6]O)	O(S[6]C[6,6a]N[6]O)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2{1|C<4>,2|H<1>,3|C<3>}	O(S[6]C[6,6a]N[6]O)	O(S[6]C[6,6a]N[6]O)	116.7600	0.000	1	116.3079	2.518	24	116.4784	2.618	27	118.4154	5.114	77	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:2:1:1:	4:	4:	C[6,6a]-3:N[6]-2:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2	O(S[6]C[6,6a]N[6]O)	O(S[6]C[6,6a]N[6]O)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2{1|H<1>,1|N<2>,1|N<3>,2|C<3>}	O(S[6]C[6,6a]N[6]O)	O(S[6]C[6,6a]N[6]O)	114.4217	0.702	3	116.3079	2.518	24	116.4784	2.618	27	118.4154	5.114	77	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:2:1:1:	4:	4:	C[6,6a]-3:N[6]-2:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2	O(S[6]C[6,6a]N[6]O)	O(S[6]C[6,6a]N[6]O)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2{1|H<1>,1|N<2>,1|S<2>,2|C<3>}	O(S[6]C[6,6a]N[6]O)	O(S[6]C[6,6a]N[6]O)	116.9210	0.000	1	116.3079	2.518	24	116.4784	2.618	27	118.4154	5.114	77	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:2:1:1:	4:	4:	C[6,6a]-3:N[6]-2:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2	O(S[6]C[6,6a]N[6]O)	O(S[6]C[6,6a]N[6]O)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>}	O(S[6]C[6,6a]N[6]O)	O(S[6]C[6,6a]N[6]O)	115.5340	0.537	2	116.3079	2.518	24	116.4784	2.618	27	118.4154	5.114	77	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:2:1:1:	4:	4:	C[6,6a]-3:N[6]-2:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2	O(S[6]C[6,6a]N[6]O)	O(S[6]C[6,6a]N[6]O)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2{1|H<1>,1|N<3>,1|S<2>,2|C<3>}	O(S[6]C[6,6a]N[6]O)	O(S[6]C[6,6a]N[6]O)	116.1190	0.000	1	116.3079	2.518	24	116.4784	2.618	27	118.4154	5.114	77	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:2:1:1:	4:	4:	C[6,6a]-3:N[6]-2:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2	O(S[6]C[6,6a]N[6]O)	O(S[6]C[6,6a]N[6]O)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2{1|H<1>,1|O<2>,4|C<3>}	O(S[6]C[6,6a]N[6]O)	O(S[6]C[6,6a]N[6]O)	118.3280	0.000	1	116.3079	2.518	24	116.4784	2.618	27	118.4154	5.114	77	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:2:1:1:	4:	4:	C[6,6a]-3:N[6]-2:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2	O(S[6]C[6,6a]N[6]O)	O(S[6]C[6,6a]N[6]O)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2{1|H<1>,2|C<3>,2|N<3>}	O(S[6]C[6,6a]N[6]O)	O(S[6]C[6,6a]N[6]O)	114.0930	0.000	1	116.3079	2.518	24	116.4784	2.618	27	118.4154	5.114	77	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:2:1:1:	4:	4:	C[6,6a]-3:N[6]-2:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2	O(S[6]C[6,6a]N[6]O)	O(S[6]C[6,6a]N[6]O)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2{1|H<1>,4|C<3>}	O(S[6]C[6,6a]N[6]O)	O(S[6]C[6,6a]N[6]O)	113.6040	0.000	1	116.3079	2.518	24	116.4784	2.618	27	118.4154	5.114	77	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:2:1:1:	4:	4:	C[6,6a]-3:N[6]-2:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2	O(S[6]C[6,6a]N[6]O)	O(S[6]C[6,6a]N[6]O)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2{1|N<2>,2|C<3>,2|H<1>}	O(S[6]C[6,6a]N[6]O)	O(S[6]C[6,6a]N[6]O)	117.4810	0.000	1	116.3079	2.518	24	116.4784	2.618	27	118.4154	5.114	77	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:2:1:1:	4:	4:	C[6,6a]-3:N[6]-2:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2	O(S[6]C[6,6a]N[6]O)	O(S[6]C[6,6a]N[6]O)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2{1|N<2>,2|C<3>,3|H<1>}	O(S[6]C[6,6a]N[6]O)	O(S[6]C[6,6a]N[6]O)	117.9470	0.000	1	116.3079	2.518	24	116.4784	2.618	27	118.4154	5.114	77	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:2:1:1:	4:	4:	C[6,6a]-3:N[6]-2:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2	O(S[6]C[6,6a]N[6]O)	O(S[6]C[6,6a]N[6]O)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2{1|N<3>,2|C<3>,2|H<1>}	O(S[6]C[6,6a]N[6]O)	O(S[6]C[6,6a]N[6]O)	116.4977	0.530	6	116.3079	2.518	24	116.4784	2.618	27	118.4154	5.114	77	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:2:1:1:	4:	4:	C[6,6a]-3:N[6]-2:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2	O(S[6]C[6,6a]N[6]O)	O(S[6]C[6,6a]N[6]O)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2{3|C<3>,3|H<1>}	O(S[6]C[6,6a]N[6]O)	O(S[6]C[6,6a]N[6]O)	119.9960	0.000	1	116.3079	2.518	24	116.4784	2.618	27	118.4154	5.114	77	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:2:1:1:	4:	4:	C[6]-3:O[6]-2:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[6]C[6a]C[6])(O[6]C[6,6])(O)2	O(S[6]C[6]O[6]O)	O(S[6]C[6]O[6]O)	S[6](C[6]C[6a]C[6])(O[6]C[6,6])(O)2{1|H<1>,4|C<3>}	O(S[6]C[6]O[6]O)	O(S[6]C[6]O[6]O)	119.6180	0.000	1	119.6180	0.000	1	119.4235	0.076	2	118.4154	5.114	77	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:2:1:1:	4:	4:	C[6]-3:O[6]-2:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[6]C[6a]C[6])(O[6]C[6])(O)2	O(S[6]C[6]O[6]O)	O(S[6]C[6]O[6]O)	S[6](C[6]C[6a]C[6])(O[6]C[6])(O)2{1|H<1>,4|C<3>}	O(S[6]C[6]O[6]O)	O(S[6]C[6]O[6]O)	119.2290	0.000	1	119.2290	0.000	1	119.4235	0.076	2	118.4154	5.114	77	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:2:1:1:	4:	4:	N[3,6]-3:O[6]-2:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](N[3,6]C[3,5,6]C[3,5])(O[6]C[6])(O)2	O(S[6]N[3,6]O[6]O)	O(S[6]N[3,6]O[6]O)	S[6](N[3,6]C[3,5,6]C[3,5])(O[6]C[6])(O)2{1|C<3>,1|C<4>,4|H<1>}	O(S[6]N[3,6]O[6]O)	O(S[6]N[3,6]O[6]O)	118.9730	0.000	1	118.9730	0.000	1	119.7920	1.342	2	118.4154	5.114	77	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:2:1:1:	4:	4:	N[3,6]-3:O[6]-2:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](N[3,6]C[3,6]C[3])(O[6]C[6,6a])(O)2	O(S[6]N[3,6]O[6]O)	O(S[6]N[3,6]O[6]O)	S[6](N[3,6]C[3,6]C[3])(O[6]C[6,6a])(O)2{2|H<1>,3|C<3>}	O(S[6]N[3,6]O[6]O)	O(S[6]N[3,6]O[6]O)	120.6110	0.000	1	120.6110	0.000	1	119.7920	1.342	2	118.4154	5.114	77	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:2:1:1:	4:	4:	N[5,6]-3:O[6]-2:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](N[5,6]C[5,5]C[5,6])(O[6]C[6])(O)2	O(S[6]N[5,6]O[6]O)	O(S[6]N[5,6]O[6]O)	S[6](N[5,6]C[5,5]C[5,6])(O[6]C[6])(O)2{3|H<1>,5|C<4>}	O(S[6]N[5,6]O[6]O)	O(S[6]N[5,6]O[6]O)	118.1977	0.583	4	118.1977	0.340	4	120.4714	2.145	21	118.4154	5.114	77	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:2:1:1:	4:	4:	N[5,6]-3:O[6]-2:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](N[5,6]C[5,6]2)(O[6]C[6])(O)2	O(S[6]N[5,6]O[6]O)	O(S[6]N[5,6]O[6]O)	S[6](N[5,6]C[5,6]2)(O[6]C[6])(O)2{3|H<1>,5|C<4>}	O(S[6]N[5,6]O[6]O)	O(S[6]N[5,6]O[6]O)	118.6100	0.000	1	118.6100	0.000	1	120.4714	2.145	21	118.4154	5.114	77	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:2:1:1:	4:	4:	N[5,6]-3:O[6]-2:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](N[5,6]C[5,6]C[5])(O[6]C[6,6a])(O)2	O(S[6]N[5,6]O[6]O)	O(S[6]N[5,6]O[6]O)	S[6](N[5,6]C[5,6]C[5])(O[6]C[6,6a])(O)2{1|C<4>,1|H<1>,4|C<3>}	O(S[6]N[5,6]O[6]O)	O(S[6]N[5,6]O[6]O)	119.4510	0.000	1	121.1561	0.683	16	120.4714	2.145	21	118.4154	5.114	77	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:2:1:1:	4:	4:	N[5,6]-3:O[6]-2:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](N[5,6]C[5,6]C[5])(O[6]C[6,6a])(O)2	O(S[6]N[5,6]O[6]O)	O(S[6]N[5,6]O[6]O)	S[6](N[5,6]C[5,6]C[5])(O[6]C[6,6a])(O)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	O(S[6]N[5,6]O[6]O)	O(S[6]N[5,6]O[6]O)	121.4630	0.000	1	121.1561	0.683	16	120.4714	2.145	21	118.4154	5.114	77	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:2:1:1:	4:	4:	N[5,6]-3:O[6]-2:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](N[5,6]C[5,6]C[5])(O[6]C[6,6a])(O)2	O(S[6]N[5,6]O[6]O)	O(S[6]N[5,6]O[6]O)	S[6](N[5,6]C[5,6]C[5])(O[6]C[6,6a])(O)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	O(S[6]N[5,6]O[6]O)	O(S[6]N[5,6]O[6]O)	121.2240	0.000	1	121.1561	0.683	16	120.4714	2.145	21	118.4154	5.114	77	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:2:1:1:	4:	4:	N[5,6]-3:O[6]-2:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](N[5,6]C[5,6]C[5])(O[6]C[6,6a])(O)2	O(S[6]N[5,6]O[6]O)	O(S[6]N[5,6]O[6]O)	S[6](N[5,6]C[5,6]C[5])(O[6]C[6,6a])(O)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	O(S[6]N[5,6]O[6]O)	O(S[6]N[5,6]O[6]O)	121.6750	0.000	1	121.1561	0.683	16	120.4714	2.145	21	118.4154	5.114	77	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:2:1:1:	4:	4:	N[5,6]-3:O[6]-2:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](N[5,6]C[5,6]C[5])(O[6]C[6,6a])(O)2	O(S[6]N[5,6]O[6]O)	O(S[6]N[5,6]O[6]O)	S[6](N[5,6]C[5,6]C[5])(O[6]C[6,6a])(O)2{1|C<4>,2|H<1>,3|C<3>}	O(S[6]N[5,6]O[6]O)	O(S[6]N[5,6]O[6]O)	120.1960	0.000	1	121.1561	0.683	16	120.4714	2.145	21	118.4154	5.114	77	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:2:1:1:	4:	4:	N[5,6]-3:O[6]-2:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](N[5,6]C[5,6]C[5])(O[6]C[6,6a])(O)2	O(S[6]N[5,6]O[6]O)	O(S[6]N[5,6]O[6]O)	S[6](N[5,6]C[5,6]C[5])(O[6]C[6,6a])(O)2{1|C<4>,2|H<1>,4|C<3>}	O(S[6]N[5,6]O[6]O)	O(S[6]N[5,6]O[6]O)	121.4848	0.241	4	121.1561	0.683	16	120.4714	2.145	21	118.4154	5.114	77	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:2:1:1:	4:	4:	N[5,6]-3:O[6]-2:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](N[5,6]C[5,6]C[5])(O[6]C[6,6a])(O)2	O(S[6]N[5,6]O[6]O)	O(S[6]N[5,6]O[6]O)	S[6](N[5,6]C[5,6]C[5])(O[6]C[6,6a])(O)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	O(S[6]N[5,6]O[6]O)	O(S[6]N[5,6]O[6]O)	122.1780	0.000	1	121.1561	0.683	16	120.4714	2.145	21	118.4154	5.114	77	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:2:1:1:	4:	4:	N[5,6]-3:O[6]-2:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](N[5,6]C[5,6]C[5])(O[6]C[6,6a])(O)2	O(S[6]N[5,6]O[6]O)	O(S[6]N[5,6]O[6]O)	S[6](N[5,6]C[5,6]C[5])(O[6]C[6,6a])(O)2{1|N<3>,3|C<3>,3|H<1>}	O(S[6]N[5,6]O[6]O)	O(S[6]N[5,6]O[6]O)	122.6710	0.000	1	121.1561	0.683	16	120.4714	2.145	21	118.4154	5.114	77	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:2:1:1:	4:	4:	N[5,6]-3:O[6]-2:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](N[5,6]C[5,6]C[5])(O[6]C[6,6a])(O)2	O(S[6]N[5,6]O[6]O)	O(S[6]N[5,6]O[6]O)	S[6](N[5,6]C[5,6]C[5])(O[6]C[6,6a])(O)2{1|O<1>,2|C<3>,3|C<4>}	O(S[6]N[5,6]O[6]O)	O(S[6]N[5,6]O[6]O)	120.0800	0.000	1	121.1561	0.683	16	120.4714	2.145	21	118.4154	5.114	77	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:2:1:1:	4:	4:	N[5,6]-3:O[6]-2:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](N[5,6]C[5,6]C[5])(O[6]C[6,6a])(O)2	O(S[6]N[5,6]O[6]O)	O(S[6]N[5,6]O[6]O)	S[6](N[5,6]C[5,6]C[5])(O[6]C[6,6a])(O)2{1|O<2>,2|C<4>,4|C<3>}	O(S[6]N[5,6]O[6]O)	O(S[6]N[5,6]O[6]O)	121.0740	0.000	1	121.1561	0.683	16	120.4714	2.145	21	118.4154	5.114	77	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:2:1:1:	4:	4:	N[5,6]-3:O[6]-2:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](N[5,6]C[5,6]C[5])(O[6]C[6,6a])(O)2	O(S[6]N[5,6]O[6]O)	O(S[6]N[5,6]O[6]O)	S[6](N[5,6]C[5,6]C[5])(O[6]C[6,6a])(O)2{2|C<3>,2|H<1>,3|C<4>}	O(S[6]N[5,6]O[6]O)	O(S[6]N[5,6]O[6]O)	120.6810	0.000	1	121.1561	0.683	16	120.4714	2.145	21	118.4154	5.114	77	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:2:1:1:	4:	4:	N[5,6]-3:O[6]-2:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](N[5,6]C[5,6]C[5])(O[6]C[6,6a])(O)2	O(S[6]N[5,6]O[6]O)	O(S[6]N[5,6]O[6]O)	S[6](N[5,6]C[5,6]C[5])(O[6]C[6,6a])(O)2{2|C<4>,2|H<1>,3|C<3>}	O(S[6]N[5,6]O[6]O)	O(S[6]N[5,6]O[6]O)	120.3810	0.000	1	121.1561	0.683	16	120.4714	2.145	21	118.4154	5.114	77	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:2:1:1:	4:	4:	N[5,6]-3:O[6]-2:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](N[5,6]C[5,6]C[5])(O[6]C[6,6a])(O)2	O(S[6]N[5,6]O[6]O)	O(S[6]N[5,6]O[6]O)	S[6](N[5,6]C[5,6]C[5])(O[6]C[6,6a])(O)2{3|H<1>,4|C<3>}	O(S[6]N[5,6]O[6]O)	O(S[6]N[5,6]O[6]O)	121.4850	0.000	1	121.1561	0.683	16	120.4714	2.145	21	118.4154	5.114	77	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:2:1:1:	4:	4:	N[5a,6]-3:N[6]-2:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](N[5a,6]C[5a,6]N[5a])(N[6]C[6])(O)2	O(S[6]N[5a,6]N[6]O)	O(S[6]N[5a,6]N[6]O)	S[6](N[5a,6]C[5a,6]N[5a])(N[6]C[6])(O)2{1|N<3>,1|O<2>,2|C<3>}	O(S[6]N[5a,6]N[6]O)	O(S[6]N[5a,6]N[6]O)	117.1330	0.000	1	117.1330	0.000	1	117.1330	0.000	1	118.4154	5.114	77	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:2:1:1:	4:	4:	N[6,6]-3:N[6]-2:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](N[6,6]C[6,6]C[6])(N[6]C[6])(O)2	O(S[6]N[6,6]N[6]O)	O(S[6]N[6,6]N[6]O)	S[6](N[6,6]C[6,6]C[6])(N[6]C[6])(O)2{4|C<4>,4|H<1>}	O(S[6]N[6,6]N[6]O)	O(S[6]N[6,6]N[6]O)	117.9835	0.152	2	117.9835	0.023	2	117.9835	0.023	2	118.4154	5.114	77	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:2:1:1:	4:	4:	N[6,6]-3:O[6]-2:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](N[6,6]C[6,6]C[6])(O[6]C[6,6a])(O)2	O(S[6]N[6,6]O[6]O)	O(S[6]N[6,6]O[6]O)	S[6](N[6,6]C[6,6]C[6])(O[6]C[6,6a])(O)2{1|C<4>,1|O<1>,1|P<4>,3|C<3>}	O(S[6]N[6,6]O[6]O)	O(S[6]N[6,6]O[6]O)	120.6040	0.000	1	120.4164	0.597	5	120.4164	0.597	5	118.4154	5.114	77	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:2:1:1:	4:	4:	N[6,6]-3:O[6]-2:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](N[6,6]C[6,6]C[6])(O[6]C[6,6a])(O)2	O(S[6]N[6,6]O[6]O)	O(S[6]N[6,6]O[6]O)	S[6](N[6,6]C[6,6]C[6])(O[6]C[6,6a])(O)2{1|C<4>,2|H<1>,3|C<3>}	O(S[6]N[6,6]O[6]O)	O(S[6]N[6,6]O[6]O)	120.1380	1.121	2	120.4164	0.597	5	120.4164	0.597	5	118.4154	5.114	77	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:2:1:1:	4:	4:	N[6,6]-3:O[6]-2:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](N[6,6]C[6,6]C[6])(O[6]C[6,6a])(O)2	O(S[6]N[6,6]O[6]O)	O(S[6]N[6,6]O[6]O)	S[6](N[6,6]C[6,6]C[6])(O[6]C[6,6a])(O)2{1|O<2>,3|C<3>,3|H<1>}	O(S[6]N[6,6]O[6]O)	O(S[6]N[6,6]O[6]O)	121.2610	0.000	1	120.4164	0.597	5	120.4164	0.597	5	118.4154	5.114	77	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:2:1:1:	4:	4:	N[6,6]-3:O[6]-2:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](N[6,6]C[6,6]C[6])(O[6]C[6,6a])(O)2	O(S[6]N[6,6]O[6]O)	O(S[6]N[6,6]O[6]O)	S[6](N[6,6]C[6,6]C[6])(O[6]C[6,6a])(O)2{2|C<3>,2|H<1>,3|C<4>}	O(S[6]N[6,6]O[6]O)	O(S[6]N[6,6]O[6]O)	119.9410	0.000	1	120.4164	0.597	5	120.4164	0.597	5	118.4154	5.114	77	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:2:1:1:	4:	4:	N[6]-3:N[6]-2:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](N[6]C[6]C)(N[6]C[6])(O)2	O(S[6]N[6]2O)	O(S[6]N[6]2O)	S[6](N[6]C[6]C)(N[6]C[6])(O)2{1|C<3>,1|C<4>,1|H<1>}	O(S[6]N[6]2O)	O(S[6]N[6]2O)	116.6420	0.000	1	115.8113	0.532	3	115.9762	0.355	6	118.4154	5.114	77	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:2:1:1:	4:	4:	N[6]-3:N[6]-2:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](N[6]C[6]C)(N[6]C[6])(O)2	O(S[6]N[6]2O)	O(S[6]N[6]2O)	S[6](N[6]C[6]C)(N[6]C[6])(O)2{1|C<3>,2|C<4>}	O(S[6]N[6]2O)	O(S[6]N[6]2O)	115.3960	0.170	2	115.8113	0.532	3	115.9762	0.355	6	118.4154	5.114	77	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:2:1:1:	4:	4:	N[6]-3:N[6]-2:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](N[6]C[6]H)(N[6]C[6])(O)2	O(S[6]N[6]2O)	O(S[6]N[6]2O)	S[6](N[6]C[6]H)(N[6]C[6])(O)2{1|C<3>,2|C<4>}	O(S[6]N[6]2O)	O(S[6]N[6]2O)	116.7200	0.000	1	116.7200	0.000	1	115.9762	0.355	6	118.4154	5.114	77	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:2:1:1:	4:	4:	N[6]-3:N[6]-2:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](N[6]C[6a]C[6])(N[6]C[6])(O)2	O(S[6]N[6]2O)	O(S[6]N[6]2O)	S[6](N[6]C[6a]C[6])(N[6]C[6])(O)2{1|C<4>,2|N<3>,3|C<3>}	O(S[6]N[6]2O)	O(S[6]N[6]2O)	115.6970	0.000	1	115.8515	0.048	2	115.9762	0.355	6	118.4154	5.114	77	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:2:1:1:	4:	4:	N[6]-3:N[6]-2:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](N[6]C[6a]C[6])(N[6]C[6])(O)2	O(S[6]N[6]2O)	O(S[6]N[6]2O)	S[6](N[6]C[6a]C[6])(N[6]C[6])(O)2{1|N<2>,1|N<3>,3|C<3>}	O(S[6]N[6]2O)	O(S[6]N[6]2O)	116.0060	0.000	1	115.8515	0.048	2	115.9762	0.355	6	118.4154	5.114	77	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:2:1:1:	4:	4:	N[6]-3:O[6]-2:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](N[6]C[6]H)(O[6]C[6])(O)2	O(S[6]N[6]O[6]O)	O(S[6]N[6]O[6]O)	S[6](N[6]C[6]H)(O[6]C[6])(O)2{1|C<3>,1|C<4>,1|O<1>}	O(S[6]N[6]O[6]O)	O(S[6]N[6]O[6]O)	120.1347	0.139	3	119.6523	0.453	9	119.4561	0.787	10	118.4154	5.114	77	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:2:1:1:	4:	4:	N[6]-3:O[6]-2:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](N[6]C[6]H)(O[6]C[6])(O)2	O(S[6]N[6]O[6]O)	O(S[6]N[6]O[6]O)	S[6](N[6]C[6]H)(O[6]C[6])(O)2{1|C<3>,1|C<4>,3|H<1>}	O(S[6]N[6]O[6]O)	O(S[6]N[6]O[6]O)	118.8370	1.195	2	119.6523	0.453	9	119.4561	0.787	10	118.4154	5.114	77	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:2:1:1:	4:	4:	N[6]-3:O[6]-2:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](N[6]C[6]H)(O[6]C[6])(O)2	O(S[6]N[6]O[6]O)	O(S[6]N[6]O[6]O)	S[6](N[6]C[6]H)(O[6]C[6])(O)2{1|C<3>,2|C<4>,2|H<1>}	O(S[6]N[6]O[6]O)	O(S[6]N[6]O[6]O)	119.5620	0.000	1	119.6523	0.453	9	119.4561	0.787	10	118.4154	5.114	77	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:2:1:1:	4:	4:	N[6]-3:O[6]-2:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](N[6]C[6]H)(O[6]C[6])(O)2	O(S[6]N[6]O[6]O)	O(S[6]N[6]O[6]O)	S[6](N[6]C[6]H)(O[6]C[6])(O)2{1|C<4>,4|H<1>}	O(S[6]N[6]O[6]O)	O(S[6]N[6]O[6]O)	119.5170	0.000	1	119.6523	0.453	9	119.4561	0.787	10	118.4154	5.114	77	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:2:1:1:	4:	4:	N[6]-3:O[6]-2:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](N[6]C[6]H)(O[6]C[6])(O)2	O(S[6]N[6]O[6]O)	O(S[6]N[6]O[6]O)	S[6](N[6]C[6]H)(O[6]C[6])(O)2{2|C<4>,3|H<1>}	O(S[6]N[6]O[6]O)	O(S[6]N[6]O[6]O)	119.8570	0.126	2	119.6523	0.453	9	119.4561	0.787	10	118.4154	5.114	77	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:2:1:1:	4:	4:	N[6]-3:O[6]-2:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](N[6]C[6]Pd)(O[6]C[6])(O)2	O(S[6]N[6]O[6]O)	O(S[6]N[6]O[6]O)	S[6](N[6]C[6]Pd)(O[6]C[6])(O)2{1|C<3>,1|C<4>,1|O<1>}	O(S[6]N[6]O[6]O)	O(S[6]N[6]O[6]O)	117.6900	0.000	1	117.6900	0.000	1	119.4561	0.787	10	118.4154	5.114	77	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:3:1:1:	4:	4:	C[5a,6]-3:N[5,6]-3:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[5a,6]C[5a,6]S[5a])(N[5,6]C[5,6]C[5])(O)2	O(S[6]C[5a,6]N[5,6]O)	O(S[6]C[5a,6]N[5,6]O)	S[6](C[5a,6]C[5a,6]S[5a])(N[5,6]C[5,6]C[5])(O)2{2|C<3>,3|C<4>,3|H<1>}	O(S[6]C[5a,6]N[5,6]O)	O(S[6]C[5a,6]N[5,6]O)	116.0888	0.148	4	116.0888	0.022	4	116.0888	0.022	4	118.2519	1.944	349	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:3:1:1:	4:	4:	C[5a,6]-3:N[6]-3:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(O)2	O(S[6]C[5a,6]N[6]O)	O(S[6]C[5a,6]N[6]O)	S[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(O)2{1|H<1>,1|S<2>,3|C<3>}	O(S[6]C[5a,6]N[6]O)	O(S[6]C[5a,6]N[6]O)	118.9660	0.652	13	118.9660	0.426	13	118.9628	0.393	14	118.2519	1.944	349	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:3:1:1:	4:	4:	C[5a,6]-3:N[6]-3:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[5a,6]C[5a,6]S[5a])(N[6]C[6]C)(O)2	O(S[6]C[5a,6]N[6]O)	O(S[6]C[5a,6]N[6]O)	S[6](C[5a,6]C[5a,6]S[5a])(N[6]C[6]C)(O)2{1|C<4>,2|C<3>,2|H<1>}	O(S[6]C[5a,6]N[6]O)	O(S[6]C[5a,6]N[6]O)	118.9210	0.000	1	118.9210	0.000	1	118.9628	0.393	14	118.2519	1.944	349	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:3:1:1:	4:	4:	C[6,6]-3:C[6]-3:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(O)2	O(S[6]C[6,6]C[6]O)	O(S[6]C[6,6]C[6]O)	S[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(O)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>}	O(S[6]C[6,6]C[6]O)	O(S[6]C[6,6]C[6]O)	114.9675	0.832	2	114.9675	0.693	2	114.9675	0.693	2	118.2519	1.944	349	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:3:1:1:	4:	4:	C[6,6]-3:N[5,6]-3:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[6,6]C[6,6]C[6])(N[5,6]C[5,6]N[5])(O)2	O(S[6]C[6,6]N[5,6]O)	O(S[6]C[6,6]N[5,6]O)	S[6](C[6,6]C[6,6]C[6])(N[5,6]C[5,6]N[5])(O)2{2|C<3>,3|C<4>,3|H<1>}	O(S[6]C[6,6]N[5,6]O)	O(S[6]C[6,6]N[5,6]O)	117.7320	0.000	1	117.7320	0.000	1	117.7320	0.000	1	118.2519	1.944	349	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:3:1:1:	4:	4:	C[6,6]-3:N[6]-3:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[6,6]C[5,6]C[6,6])(N[6]C[6,6a]C)(O)2	O(S[6]C[6,6]N[6]O)	O(S[6]C[6,6]N[6]O)	S[6](C[6,6]C[5,6]C[6,6])(N[6]C[6,6a]C)(O)2{1|O<2>,5|C<3>}	O(S[6]C[6,6]N[6]O)	O(S[6]C[6,6]N[6]O)	117.4370	0.000	1	117.4370	0.000	1	118.1290	0.958	2	118.2519	1.944	349	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:3:1:1:	4:	4:	C[6,6]-3:N[6]-3:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[6,6]C[6,6]C[6])(N[6]C[6]2)(O)2	O(S[6]C[6,6]N[6]O)	O(S[6]C[6,6]N[6]O)	S[6](C[6,6]C[6,6]C[6])(N[6]C[6]2)(O)2{1|C<3>,5|C<2>}	O(S[6]C[6,6]N[6]O)	O(S[6]C[6,6]N[6]O)	118.8210	0.000	1	118.8210	0.000	1	118.1290	0.958	2	118.2519	1.944	349	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:3:1:1:	4:	4:	C[6,6a]-3:C[6,6a]-3:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(O)2	O(S[6]C[6,6a]2O)	O(S[6]C[6,6a]2O)	S[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(O)2{1|H<1>,5|C<3>}	O(S[6]C[6,6a]2O)	O(S[6]C[6,6a]2O)	117.5605	0.575	2	117.5605	0.330	2	117.2371	0.579	56	118.2519	1.944	349	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:3:1:1:	4:	4:	C[6,6a]-3:C[6,6a]-3:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[6,6a]C[6,6a]C[6a])2(O)2	O(S[6]C[6,6a]2O)	O(S[6]C[6,6a]2O)	S[6](C[6,6a]C[6,6a]C[6a])2(O)2{1|Br<1>,1|H<1>,1|O<2>,4|C<3>}	O(S[6]C[6,6a]2O)	O(S[6]C[6,6a]2O)	117.2980	0.000	2	117.0790	0.314	50	117.2371	0.579	56	118.2519	1.944	349	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:3:1:1:	4:	4:	C[6,6a]-3:C[6,6a]-3:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[6,6a]C[6,6a]C[6a])2(O)2	O(S[6]C[6,6a]2O)	O(S[6]C[6,6a]2O)	S[6](C[6,6a]C[6,6a]C[6a])2(O)2{1|C<4>,2|H<1>,4|C<3>}	O(S[6]C[6,6a]2O)	O(S[6]C[6,6a]2O)	116.9223	0.467	22	117.0790	0.314	50	117.2371	0.579	56	118.2519	1.944	349	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:3:1:1:	4:	4:	C[6,6a]-3:C[6,6a]-3:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[6,6a]C[6,6a]C[6a])2(O)2	O(S[6]C[6,6a]2O)	O(S[6]C[6,6a]2O)	S[6](C[6,6a]C[6,6a]C[6a])2(O)2{1|H<1>,6|C<3>}	O(S[6]C[6,6a]2O)	O(S[6]C[6,6a]2O)	118.1740	0.000	1	117.0790	0.314	50	117.2371	0.579	56	118.2519	1.944	349	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:3:1:1:	4:	4:	C[6,6a]-3:C[6,6a]-3:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[6,6a]C[6,6a]C[6a])2(O)2	O(S[6]C[6,6a]2O)	O(S[6]C[6,6a]2O)	S[6](C[6,6a]C[6,6a]C[6a])2(O)2{1|N<3>,2|H<1>,4|C<3>}	O(S[6]C[6,6a]2O)	O(S[6]C[6,6a]2O)	116.9292	0.443	17	117.0790	0.314	50	117.2371	0.579	56	118.2519	1.944	349	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:3:1:1:	4:	4:	C[6,6a]-3:C[6,6a]-3:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[6,6a]C[6,6a]C[6a])2(O)2	O(S[6]C[6,6a]2O)	O(S[6]C[6,6a]2O)	S[6](C[6,6a]C[6,6a]C[6a])2(O)2{1|O<2>,2|H<1>,4|C<3>}	O(S[6]C[6,6a]2O)	O(S[6]C[6,6a]2O)	116.2580	0.000	1	117.0790	0.314	50	117.2371	0.579	56	118.2519	1.944	349	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:3:1:1:	4:	4:	C[6,6a]-3:C[6,6a]-3:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[6,6a]C[6,6a]C[6a])2(O)2	O(S[6]C[6,6a]2O)	O(S[6]C[6,6a]2O)	S[6](C[6,6a]C[6,6a]C[6a])2(O)2{1|P<4>,2|H<1>,4|C<3>}	O(S[6]C[6,6a]2O)	O(S[6]C[6,6a]2O)	118.2340	0.395	2	117.0790	0.314	50	117.2371	0.579	56	118.2519	1.944	349	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:3:1:1:	4:	4:	C[6,6a]-3:C[6,6a]-3:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[6,6a]C[6,6a]C[6a])2(O)2	O(S[6]C[6,6a]2O)	O(S[6]C[6,6a]2O)	S[6](C[6,6a]C[6,6a]C[6a])2(O)2{1|S<4>,2|H<1>,4|C<3>}	O(S[6]C[6,6a]2O)	O(S[6]C[6,6a]2O)	117.8180	0.231	2	117.0790	0.314	50	117.2371	0.579	56	118.2519	1.944	349	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:3:1:1:	4:	4:	C[6,6a]-3:C[6,6a]-3:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[6,6a]C[6,6a]C[6a])2(O)2	O(S[6]C[6,6a]2O)	O(S[6]C[6,6a]2O)	S[6](C[6,6a]C[6,6a]C[6a])2(O)2{2|H<1>,5|C<3>}	O(S[6]C[6,6a]2O)	O(S[6]C[6,6a]2O)	117.5767	0.175	3	117.0790	0.314	50	117.2371	0.579	56	118.2519	1.944	349	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:3:1:1:	4:	4:	C[6,6a]-3:C[6,6a]-3:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O)2	O(S[6]C[6,6a]2O)	O(S[6]C[6,6a]2O)	S[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O)2{1|H<1>,1|S<4>,5|C<3>}	O(S[6]C[6,6a]2O)	O(S[6]C[6,6a]2O)	119.0523	0.711	4	119.0523	0.505	4	117.2371	0.579	56	118.2519	1.944	349	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:3:1:1:	4:	4:	C[6,6a]-3:C[6]-3:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]Br)(O)2	O(S[6]C[6,6a]C[6]O)	O(S[6]C[6,6a]C[6]O)	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]Br)(O)2{1|H<1>,4|C<3>}	O(S[6]C[6,6a]C[6]O)	O(S[6]C[6,6a]C[6]O)	116.8470	0.000	1	116.8470	0.000	1	117.1090	0.137	2	118.2519	1.944	349	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:3:1:1:	4:	4:	C[6,6a]-3:C[6]-3:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(O)2	O(S[6]C[6,6a]C[6]O)	O(S[6]C[6,6a]C[6]O)	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(O)2{1|H<1>,1|S<2>,3|C<3>}	O(S[6]C[6,6a]C[6]O)	O(S[6]C[6,6a]C[6]O)	117.3710	0.000	1	117.3710	0.000	1	117.1090	0.137	2	118.2519	1.944	349	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:3:1:1:	4:	4:	C[6,6a]-3:N[5,6]-3:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]C[5])(O)2	O(S[6]C[6,6a]N[5,6]O)	O(S[6]C[6,6a]N[5,6]O)	S[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]C[5])(O)2{2|C<4>,3|C<3>,3|H<1>}	O(S[6]C[6,6a]N[5,6]O)	O(S[6]C[6,6a]N[5,6]O)	118.1530	0.000	1	118.1530	0.000	1	117.9617	0.358	13	118.2519	1.944	349	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:3:1:1:	4:	4:	C[6,6a]-3:N[5,6]-3:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]2)(O)2	O(S[6]C[6,6a]N[5,6]O)	O(S[6]C[6,6a]N[5,6]O)	S[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]2)(O)2{1|Br<1>,2|C<4>,3|C<3>,3|H<1>}	O(S[6]C[6,6a]N[5,6]O)	O(S[6]C[6,6a]N[5,6]O)	118.6040	0.000	1	118.6040	0.000	1	117.9617	0.358	13	118.2519	1.944	349	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:3:1:1:	4:	4:	C[6,6a]-3:N[5,6]-3:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(O)2	O(S[6]C[6,6a]N[5,6]O)	O(S[6]C[6,6a]N[5,6]O)	S[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(O)2{1|Br<1>,2|C<3>,2|C<4>,4|H<1>}	O(S[6]C[6,6a]N[5,6]O)	O(S[6]C[6,6a]N[5,6]O)	118.3400	0.000	1	117.9399	0.439	9	117.9617	0.358	13	118.2519	1.944	349	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:3:1:1:	4:	4:	C[6,6a]-3:N[5,6]-3:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(O)2	O(S[6]C[6,6a]N[5,6]O)	O(S[6]C[6,6a]N[5,6]O)	S[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(O)2{1|C<4>,3|C<3>,4|H<1>}	O(S[6]C[6,6a]N[5,6]O)	O(S[6]C[6,6a]N[5,6]O)	118.0550	0.052	2	117.9399	0.439	9	117.9617	0.358	13	118.2519	1.944	349	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:3:1:1:	4:	4:	C[6,6a]-3:N[5,6]-3:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(O)2	O(S[6]C[6,6a]N[5,6]O)	O(S[6]C[6,6a]N[5,6]O)	S[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(O)2{2|C<3>,3|C<4>,4|H<1>}	O(S[6]C[6,6a]N[5,6]O)	O(S[6]C[6,6a]N[5,6]O)	117.8186	0.902	5	117.9399	0.439	9	117.9617	0.358	13	118.2519	1.944	349	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:3:1:1:	4:	4:	C[6,6a]-3:N[5,6]-3:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(O)2	O(S[6]C[6,6a]N[5,6]O)	O(S[6]C[6,6a]N[5,6]O)	S[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(O)2{2|C<4>,3|C<3>,3|H<1>}	O(S[6]C[6,6a]N[5,6]O)	O(S[6]C[6,6a]N[5,6]O)	117.9160	0.000	1	117.9399	0.439	9	117.9617	0.358	13	118.2519	1.944	349	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:3:1:1:	4:	4:	C[6,6a]-3:N[5,6]-3:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(O)2	O(S[6]C[6,6a]N[5,6]O)	O(S[6]C[6,6a]N[5,6]O)	S[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(O)2{1|Cl<1>,1|N<2>,1|N<3>,4|C<3>}	O(S[6]C[6,6a]N[5,6]O)	O(S[6]C[6,6a]N[5,6]O)	117.3890	0.000	1	117.6430	0.129	2	117.9617	0.358	13	118.2519	1.944	349	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:3:1:1:	4:	4:	C[6,6a]-3:N[5,6]-3:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(O)2	O(S[6]C[6,6a]N[5,6]O)	O(S[6]C[6,6a]N[5,6]O)	S[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(O)2{1|H<1>,1|N<2>,1|N<3>,4|C<3>}	O(S[6]C[6,6a]N[5,6]O)	O(S[6]C[6,6a]N[5,6]O)	117.8970	0.000	1	117.6430	0.129	2	117.9617	0.358	13	118.2519	1.944	349	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:3:1:1:	4:	4:	C[6,6a]-3:N[6,6]-3:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[6,6a]C[6,6,6a]C[6a])(N[6,6]C[6,6]C[6])(O)2	O(S[6]C[6,6a]N[6,6]O)	O(S[6]C[6,6a]N[6,6]O)	S[6](C[6,6a]C[6,6,6a]C[6a])(N[6,6]C[6,6]C[6])(O)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	O(S[6]C[6,6a]N[6,6]O)	O(S[6]C[6,6a]N[6,6]O)	116.0670	0.000	1	116.0670	0.000	1	117.6508	1.122	5	118.2519	1.944	349	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:3:1:1:	4:	4:	C[6,6a]-3:N[6,6]-3:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O)2	O(S[6]C[6,6a]N[6,6]O)	O(S[6]C[6,6a]N[6,6]O)	S[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O)2{1|C<4>,1|N<2>,3|C<3>,3|H<1>}	O(S[6]C[6,6a]N[6,6]O)	O(S[6]C[6,6a]N[6,6]O)	117.9170	0.000	1	117.6750	0.117	2	117.6508	1.122	5	118.2519	1.944	349	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:3:1:1:	4:	4:	C[6,6a]-3:N[6,6]-3:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O)2	O(S[6]C[6,6a]N[6,6]O)	O(S[6]C[6,6a]N[6,6]O)	S[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O)2{1|Cl<1>,1|H<1>,1|N<2>,4|C<3>}	O(S[6]C[6,6a]N[6,6]O)	O(S[6]C[6,6a]N[6,6]O)	117.4330	0.000	1	117.6750	0.117	2	117.6508	1.122	5	118.2519	1.944	349	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:3:1:1:	4:	4:	C[6,6a]-3:N[6,6]-3:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[6,6a]C[6,6a]N[6a])(N[6,6]C[6,6]C[6])(O)2	O(S[6]C[6,6a]N[6,6]O)	O(S[6]C[6,6a]N[6,6]O)	S[6](C[6,6a]C[6,6a]N[6a])(N[6,6]C[6,6]C[6])(O)2{1|C<4>,1|H<1>,4|C<3>}	O(S[6]C[6,6a]N[6,6]O)	O(S[6]C[6,6a]N[6,6]O)	119.0030	0.000	1	118.4185	0.683	2	117.6508	1.122	5	118.2519	1.944	349	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:3:1:1:	4:	4:	C[6,6a]-3:N[6,6]-3:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[6,6a]C[6,6a]N[6a])(N[6,6]C[6,6]C[6])(O)2	O(S[6]C[6,6a]N[6,6]O)	O(S[6]C[6,6a]N[6,6]O)	S[6](C[6,6a]C[6,6a]N[6a])(N[6,6]C[6,6]C[6])(O)2{1|C<4>,2|H<1>,4|C<3>}	O(S[6]C[6,6a]N[6,6]O)	O(S[6]C[6,6a]N[6,6]O)	117.8340	0.000	1	118.4185	0.683	2	117.6508	1.122	5	118.2519	1.944	349	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:3:1:1:	4:	4:	C[6,6a]-3:N[6]-3:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]S[6]O)(O)2	O(S[6]C[6,6a]N[6]O)	O(S[6]C[6,6a]N[6]O)	S[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]S[6]O)(O)2{1|H<1>,2|O<1>,3|C<3>}	O(S[6]C[6,6a]N[6]O)	O(S[6]C[6,6a]N[6]O)	119.6164	0.899	5	119.6164	0.809	5	118.8956	0.593	209	118.2519	1.944	349	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:3:1:1:	4:	4:	C[6,6a]-3:N[6]-3:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6]C)(O)2	O(S[6]C[6,6a]N[6]O)	O(S[6]C[6,6a]N[6]O)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6]C)(O)2{1|H<1>,1|N<3>,3|C<3>}	O(S[6]C[6,6a]N[6]O)	O(S[6]C[6,6a]N[6]O)	119.0775	0.784	2	119.1316	0.221	13	118.8956	0.593	209	118.2519	1.944	349	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:3:1:1:	4:	4:	C[6,6a]-3:N[6]-3:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6]C)(O)2	O(S[6]C[6,6a]N[6]O)	O(S[6]C[6,6a]N[6]O)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6]C)(O)2{1|H<1>,4|C<3>}	O(S[6]C[6,6a]N[6]O)	O(S[6]C[6,6a]N[6]O)	119.1415	0.450	11	119.1316	0.221	13	118.8956	0.593	209	118.2519	1.944	349	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:3:1:1:	4:	4:	C[6,6a]-3:N[6]-3:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C)(O)2	O(S[6]C[6,6a]N[6]O)	O(S[6]C[6,6a]N[6]O)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C)(O)2{1|C<4>,1|H<1>,3|C<3>}	O(S[6]C[6,6a]N[6]O)	O(S[6]C[6,6a]N[6]O)	118.0900	0.000	1	118.0900	0.000	1	118.8956	0.593	209	118.2519	1.944	349	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:3:1:1:	4:	4:	C[6,6a]-3:N[6]-3:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O)2	O(S[6]C[6,6a]N[6]O)	O(S[6]C[6,6a]N[6]O)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O)2{1|N<3>,2|H<1>,3|C<3>}	O(S[6]C[6,6a]N[6]O)	O(S[6]C[6,6a]N[6]O)	118.1580	0.000	1	118.1580	0.000	1	118.8956	0.593	209	118.2519	1.944	349	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:3:1:1:	4:	4:	C[6,6a]-3:N[6]-3:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(O)2	O(S[6]C[6,6a]N[6]O)	O(S[6]C[6,6a]N[6]O)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(O)2{1|H<1>,2|C<3>,2|N<2>}	O(S[6]C[6,6a]N[6]O)	O(S[6]C[6,6a]N[6]O)	117.3810	0.000	1	118.0254	0.803	5	118.8956	0.593	209	118.2519	1.944	349	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:3:1:1:	4:	4:	C[6,6a]-3:N[6]-3:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(O)2	O(S[6]C[6,6a]N[6]O)	O(S[6]C[6,6a]N[6]O)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(O)2{1|H<1>,4|C<3>}	O(S[6]C[6,6a]N[6]O)	O(S[6]C[6,6a]N[6]O)	118.8570	0.556	2	118.0254	0.803	5	118.8956	0.593	209	118.2519	1.944	349	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:3:1:1:	4:	4:	C[6,6a]-3:N[6]-3:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(O)2	O(S[6]C[6,6a]N[6]O)	O(S[6]C[6,6a]N[6]O)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(O)2{1|O<1>,1|O<2>,3|C<3>}	O(S[6]C[6,6a]N[6]O)	O(S[6]C[6,6a]N[6]O)	117.5160	0.767	2	118.0254	0.803	5	118.8956	0.593	209	118.2519	1.944	349	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:3:1:1:	4:	4:	C[6,6a]-3:N[6]-3:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2	O(S[6]C[6,6a]N[6]O)	O(S[6]C[6,6a]N[6]O)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2{1|C<4>,1|H<1>,3|C<3>}	O(S[6]C[6,6a]N[6]O)	O(S[6]C[6,6a]N[6]O)	117.2950	0.000	1	118.9963	0.506	125	118.8956	0.593	209	118.2519	1.944	349	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:3:1:1:	4:	4:	C[6,6a]-3:N[6]-3:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2	O(S[6]C[6,6a]N[6]O)	O(S[6]C[6,6a]N[6]O)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	O(S[6]C[6,6a]N[6]O)	O(S[6]C[6,6a]N[6]O)	117.1820	0.332	2	118.9963	0.506	125	118.8956	0.593	209	118.2519	1.944	349	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:3:1:1:	4:	4:	C[6,6a]-3:N[6]-3:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2	O(S[6]C[6,6a]N[6]O)	O(S[6]C[6,6a]N[6]O)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2{1|H<1>,1|N<2>,1|S<2>,2|C<3>}	O(S[6]C[6,6a]N[6]O)	O(S[6]C[6,6a]N[6]O)	118.7413	0.151	3	118.9963	0.506	125	118.8956	0.593	209	118.2519	1.944	349	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:3:1:1:	4:	4:	C[6,6a]-3:N[6]-3:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2	O(S[6]C[6,6a]N[6]O)	O(S[6]C[6,6a]N[6]O)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>}	O(S[6]C[6,6a]N[6]O)	O(S[6]C[6,6a]N[6]O)	118.8900	0.000	1	118.9963	0.506	125	118.8956	0.593	209	118.2519	1.944	349	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:3:1:1:	4:	4:	C[6,6a]-3:N[6]-3:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2	O(S[6]C[6,6a]N[6]O)	O(S[6]C[6,6a]N[6]O)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2{1|H<1>,1|S<2>,3|C<3>}	O(S[6]C[6,6a]N[6]O)	O(S[6]C[6,6a]N[6]O)	118.8602	0.688	5	118.9963	0.506	125	118.8956	0.593	209	118.2519	1.944	349	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:3:1:1:	4:	4:	C[6,6a]-3:N[6]-3:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2	O(S[6]C[6,6a]N[6]O)	O(S[6]C[6,6a]N[6]O)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2{1|H<1>,4|C<3>}	O(S[6]C[6,6a]N[6]O)	O(S[6]C[6,6a]N[6]O)	119.1144	0.556	100	118.9963	0.506	125	118.8956	0.593	209	118.2519	1.944	349	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:3:1:1:	4:	4:	C[6,6a]-3:N[6]-3:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2	O(S[6]C[6,6a]N[6]O)	O(S[6]C[6,6a]N[6]O)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2{1|N<3>,2|C<3>,3|H<1>}	O(S[6]C[6,6a]N[6]O)	O(S[6]C[6,6a]N[6]O)	118.5780	0.000	1	118.9963	0.506	125	118.8956	0.593	209	118.2519	1.944	349	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:3:1:1:	4:	4:	C[6,6a]-3:N[6]-3:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2	O(S[6]C[6,6a]N[6]O)	O(S[6]C[6,6a]N[6]O)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2{1|N<3>,2|H<1>,3|C<3>}	O(S[6]C[6,6a]N[6]O)	O(S[6]C[6,6a]N[6]O)	120.0510	0.000	1	118.9963	0.506	125	118.8956	0.593	209	118.2519	1.944	349	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:3:1:1:	4:	4:	C[6,6a]-3:N[6]-3:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2	O(S[6]C[6,6a]N[6]O)	O(S[6]C[6,6a]N[6]O)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2{1|Se<2>,1|H<1>,3|C<3>}	O(S[6]C[6,6a]N[6]O)	O(S[6]C[6,6a]N[6]O)	119.9410	0.000	1	118.9963	0.506	125	118.8956	0.593	209	118.2519	1.944	349	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:3:1:1:	4:	4:	C[6,6a]-3:N[6]-3:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2	O(S[6]C[6,6a]N[6]O)	O(S[6]C[6,6a]N[6]O)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2{2|C<3>,2|C<4>,2|H<1>}	O(S[6]C[6,6a]N[6]O)	O(S[6]C[6,6a]N[6]O)	116.9710	0.000	1	118.9963	0.506	125	118.8956	0.593	209	118.2519	1.944	349	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:3:1:1:	4:	4:	C[6,6a]-3:N[6]-3:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2	O(S[6]C[6,6a]N[6]O)	O(S[6]C[6,6a]N[6]O)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2{2|H<1>,3|C<3>}	O(S[6]C[6,6a]N[6]O)	O(S[6]C[6,6a]N[6]O)	116.7475	0.730	2	118.9963	0.506	125	118.8956	0.593	209	118.2519	1.944	349	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:3:1:1:	4:	4:	C[6,6a]-3:N[6]-3:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2	O(S[6]C[6,6a]N[6]O)	O(S[6]C[6,6a]N[6]O)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2{3|C<3>,3|H<1>}	O(S[6]C[6,6a]N[6]O)	O(S[6]C[6,6a]N[6]O)	118.9991	0.573	7	118.9963	0.506	125	118.8956	0.593	209	118.2519	1.944	349	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:3:1:1:	4:	4:	C[6,6a]-3:N[6]-3:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)2	O(S[6]C[6,6a]N[6]O)	O(S[6]C[6,6a]N[6]O)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	O(S[6]C[6,6a]N[6]O)	O(S[6]C[6,6a]N[6]O)	118.9035	0.630	2	118.6466	0.697	48	118.8956	0.593	209	118.2519	1.944	349	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:3:1:1:	4:	4:	C[6,6a]-3:N[6]-3:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)2	O(S[6]C[6,6a]N[6]O)	O(S[6]C[6,6a]N[6]O)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)2{1|C<4>,2|C<3>,3|H<1>}	O(S[6]C[6,6a]N[6]O)	O(S[6]C[6,6a]N[6]O)	118.3987	0.388	3	118.6466	0.697	48	118.8956	0.593	209	118.2519	1.944	349	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:3:1:1:	4:	4:	C[6,6a]-3:N[6]-3:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)2	O(S[6]C[6,6a]N[6]O)	O(S[6]C[6,6a]N[6]O)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)2{1|C<4>,2|H<1>,3|C<3>}	O(S[6]C[6,6a]N[6]O)	O(S[6]C[6,6a]N[6]O)	116.7680	0.816	2	118.6466	0.697	48	118.8956	0.593	209	118.2519	1.944	349	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:3:1:1:	4:	4:	C[6,6a]-3:N[6]-3:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)2	O(S[6]C[6,6a]N[6]O)	O(S[6]C[6,6a]N[6]O)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)2{1|H<1>,4|C<3>}	O(S[6]C[6,6a]N[6]O)	O(S[6]C[6,6a]N[6]O)	119.1317	0.727	12	118.6466	0.697	48	118.8956	0.593	209	118.2519	1.944	349	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:3:1:1:	4:	4:	C[6,6a]-3:N[6]-3:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)2	O(S[6]C[6,6a]N[6]O)	O(S[6]C[6,6a]N[6]O)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)2{1|N<2>,2|C<3>,3|H<1>}	O(S[6]C[6,6a]N[6]O)	O(S[6]C[6,6a]N[6]O)	117.9000	0.000	1	118.6466	0.697	48	118.8956	0.593	209	118.2519	1.944	349	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:3:1:1:	4:	4:	C[6,6a]-3:N[6]-3:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)2	O(S[6]C[6,6a]N[6]O)	O(S[6]C[6,6a]N[6]O)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)2{1|N<3>,2|C<3>,3|H<1>}	O(S[6]C[6,6a]N[6]O)	O(S[6]C[6,6a]N[6]O)	118.3465	0.595	12	118.6466	0.697	48	118.8956	0.593	209	118.2519	1.944	349	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:3:1:1:	4:	4:	C[6,6a]-3:N[6]-3:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)2	O(S[6]C[6,6a]N[6]O)	O(S[6]C[6,6a]N[6]O)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)2{1|N<3>,2|H<1>,3|C<3>}	O(S[6]C[6,6a]N[6]O)	O(S[6]C[6,6a]N[6]O)	119.1025	0.142	2	118.6466	0.697	48	118.8956	0.593	209	118.2519	1.944	349	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:3:1:1:	4:	4:	C[6,6a]-3:N[6]-3:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)2	O(S[6]C[6,6a]N[6]O)	O(S[6]C[6,6a]N[6]O)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)2{2|C<3>,2|C<4>,2|H<1>}	O(S[6]C[6,6a]N[6]O)	O(S[6]C[6,6a]N[6]O)	118.0087	0.309	3	118.6466	0.697	48	118.8956	0.593	209	118.2519	1.944	349	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:3:1:1:	4:	4:	C[6,6a]-3:N[6]-3:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)2	O(S[6]C[6,6a]N[6]O)	O(S[6]C[6,6a]N[6]O)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)2{3|C<3>,3|H<1>}	O(S[6]C[6,6a]N[6]O)	O(S[6]C[6,6a]N[6]O)	118.9664	0.831	11	118.6466	0.697	48	118.8956	0.593	209	118.2519	1.944	349	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:3:1:1:	4:	4:	C[6,6a]-3:N[6]-3:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)2	O(S[6]C[6,6a]N[6]O)	O(S[6]C[6,6a]N[6]O)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)2{1|C<4>,1|H<1>,5|C<3>}	O(S[6]C[6,6a]N[6]O)	O(S[6]C[6,6a]N[6]O)	118.4663	0.555	6	118.5663	0.327	7	118.8956	0.593	209	118.2519	1.944	349	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:3:1:1:	4:	4:	C[6,6a]-3:N[6]-3:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)2	O(S[6]C[6,6a]N[6]O)	O(S[6]C[6,6a]N[6]O)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)2{1|H<1>,6|C<3>}	O(S[6]C[6,6a]N[6]O)	O(S[6]C[6,6a]N[6]O)	119.1660	0.000	1	118.5663	0.327	7	118.8956	0.593	209	118.2519	1.944	349	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:3:1:1:	4:	4:	C[6,6a]-3:N[6]-3:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[6,6a]C[6,6a]N[6a])(N[6]C[6]C)(O)2	O(S[6]C[6,6a]N[6]O)	O(S[6]C[6,6a]N[6]O)	S[6](C[6,6a]C[6,6a]N[6a])(N[6]C[6]C)(O)2{4|C<3>}	O(S[6]C[6,6a]N[6]O)	O(S[6]C[6,6a]N[6]O)	120.0350	0.120	2	120.0350	0.014	2	118.8956	0.593	209	118.2519	1.944	349	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:3:1:1:	4:	4:	C[6,6a]-3:N[6]-3:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[6,6a]C[6,6a]N[6a])(N[6]C[6]H)(O)2	O(S[6]C[6,6a]N[6]O)	O(S[6]C[6,6a]N[6]O)	S[6](C[6,6a]C[6,6a]N[6a])(N[6]C[6]H)(O)2{1|N<3>,2|C<3>,2|H<1>}	O(S[6]C[6,6a]N[6]O)	O(S[6]C[6,6a]N[6]O)	118.2015	0.087	2	118.2015	0.008	2	118.8956	0.593	209	118.2519	1.944	349	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:3:1:1:	4:	4:	C[6]-3:C[6]-3:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[6]C[6]C)(C[6]C[6]H)(O)2	O(S[6]C[6]2O)	O(S[6]C[6]2O)	S[6](C[6]C[6]C)(C[6]C[6]H)(O)2{1|N<3>,2|C<3>}	O(S[6]C[6]2O)	O(S[6]C[6]2O)	114.5655	0.951	2	114.5655	0.905	2	114.3472	2.840	9	118.2519	1.944	349	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:3:1:1:	4:	4:	C[6]-3:C[6]-3:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[6]C[6]H)2(O)2	O(S[6]C[6]2O)	O(S[6]C[6]2O)	S[6](C[6]C[6]H)2(O)2{1|C<3>,1|C<4>,1|N<3>}	O(S[6]C[6]2O)	O(S[6]C[6]2O)	113.1640	0.000	1	114.2849	3.615	7	114.3472	2.840	9	118.2519	1.944	349	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:3:1:1:	4:	4:	C[6]-3:C[6]-3:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[6]C[6]H)2(O)2	O(S[6]C[6]2O)	O(S[6]C[6]2O)	S[6](C[6]C[6]H)2(O)2{1|N<3>,2|C<3>}	O(S[6]C[6]2O)	O(S[6]C[6]2O)	113.4933	1.698	4	114.2849	3.615	7	114.3472	2.840	9	118.2519	1.944	349	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:3:1:1:	4:	4:	C[6]-3:C[6]-3:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[6]C[6]H)2(O)2	O(S[6]C[6]2O)	O(S[6]C[6]2O)	S[6](C[6]C[6]H)2(O)2{1|Si<4>,1|H<1>,1|S<2>}	O(S[6]C[6]2O)	O(S[6]C[6]2O)	116.4285	0.289	2	114.2849	3.615	7	114.3472	2.840	9	118.2519	1.944	349	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[6]C[6a]C[6])(N[6]C[6,6a]H)(O)2	O(S[6]C[6]N[6]O)	O(S[6]C[6]N[6]O)	S[6](C[6]C[6a]C[6])(N[6]C[6,6a]H)(O)2{1|H<1>,1|N<2>,3|C<3>}	O(S[6]C[6]N[6]O)	O(S[6]C[6]N[6]O)	116.3010	0.000	1	116.5720	0.147	2	116.5720	0.147	2	118.2519	1.944	349	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[6]C[6a]C[6])(N[6]C[6,6a]H)(O)2	O(S[6]C[6]N[6]O)	O(S[6]C[6]N[6]O)	S[6](C[6]C[6a]C[6])(N[6]C[6,6a]H)(O)2{1|H<1>,4|C<3>}	O(S[6]C[6]N[6]O)	O(S[6]C[6]N[6]O)	116.8430	0.000	1	116.5720	0.147	2	116.5720	0.147	2	118.2519	1.944	349	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:3:1:1:	4:	4:	N[5,6]-3:C[6,6a]-3:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](N[5,6]Ga[5,5,6,6]C[5])(C[6,6a]C[6,6a]C[6a])(O)2	O(S[6]C[6,6a]N[5,6]O)	O(S[6]C[6,6a]N[5,6]O)	S[6](N[5,6]Ga[5,5,6,6]C[5])(C[6,6a]C[6,6a]C[6a])(O)2{2|O<2>,3|C<3>,3|H<1>,3|N<3>}	O(S[6]C[6,6a]N[5,6]O)	O(S[6]C[6,6a]N[5,6]O)	113.7470	0.161	2	113.7470	0.026	2	113.7470	0.026	2	118.2519	1.944	349	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:3:1:1:	4:	4:	N[5,6]-3:C[6]-3:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](N[5,6]C[5,6]C[5])(C[6]C[6]C)(O)2	O(S[6]N[5,6]C[6]O)	O(S[6]N[5,6]C[6]O)	S[6](N[5,6]C[5,6]C[5])(C[6]C[6]C)(O)2{1|C<4>,1|N<2>,1|S<2>,3|H<1>}	O(S[6]N[5,6]C[6]O)	O(S[6]N[5,6]C[6]O)	114.9200	0.000	1	114.9200	0.000	1	114.9200	0.000	1	118.2519	1.944	349	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:3:1:1:	4:	4:	N[5,6]-3:N[6]-3:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](N[5,6]C[5,6]C[5])(N[6]C[6]H)(O)2	O(S[6]N[5,6]N[6]O)	O(S[6]N[5,6]N[6]O)	S[6](N[5,6]C[5,6]C[5])(N[6]C[6]H)(O)2{1|C<3>,3|C<4>,4|H<1>}	O(S[6]N[5,6]N[6]O)	O(S[6]N[5,6]N[6]O)	119.8020	0.000	1	119.8020	0.000	1	119.8020	0.000	1	118.2519	1.944	349	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:3:1:1:	4:	4:	N[5a,6]-3:C[6,6a]-3:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](N[5a,6]C[5a,6,6a]C[5a,6a])(C[6,6a]C[6,6a]N[6a])(O)2	O(S[6]C[6,6a]N[5a,6]O)	O(S[6]C[6,6a]N[5a,6]O)	S[6](N[5a,6]C[5a,6,6a]C[5a,6a])(C[6,6a]C[6,6a]N[6a])(O)2{6|C<3>}	O(S[6]C[6,6a]N[5a,6]O)	O(S[6]C[6,6a]N[5a,6]O)	117.4030	0.000	1	117.4030	0.000	1	117.0515	0.247	2	118.2519	1.944	349	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:3:1:1:	4:	4:	N[5a,6]-3:C[6,6a]-3:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(O)2	O(S[6]C[6,6a]N[5a,6]O)	O(S[6]C[6,6a]N[5a,6]O)	S[6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(O)2{1|H<1>,6|C<3>}	O(S[6]C[6,6a]N[5a,6]O)	O(S[6]C[6,6a]N[5a,6]O)	116.7000	0.000	1	116.7000	0.000	1	117.0515	0.247	2	118.2519	1.944	349	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:3:1:1:	4:	4:	N[6,6]-3:N[6]-3:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](N[6,6]C[3x6]C[6])(N[6]C[6]H)(O)2	O(S[6]N[6,6]N[6]O)	O(S[6]N[6,6]N[6]O)	S[6](N[6,6]C[3x6]C[6])(N[6]C[6]H)(O)2{1|N<3>,1|O<1>,2|H<1>,3|C<4>}	O(S[6]N[6,6]N[6]O)	O(S[6]N[6,6]N[6]O)	117.3300	0.000	1	117.3300	0.000	1	117.4140	0.014	2	118.2519	1.944	349	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:3:1:1:	4:	4:	N[6,6]-3:N[6]-3:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](N[6,6]C[6,6]C[6])(N[6]C[6]H)(O)2	O(S[6]N[6,6]N[6]O)	O(S[6]N[6,6]N[6]O)	S[6](N[6,6]C[6,6]C[6])(N[6]C[6]H)(O)2{1|C<3>,3|C<4>,4|H<1>}	O(S[6]N[6,6]N[6]O)	O(S[6]N[6,6]N[6]O)	117.4980	0.000	1	117.4980	0.000	1	117.4140	0.014	2	118.2519	1.944	349	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:3:1:1:	4:	4:	N[6]-3:C[6]-3:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](N[6]C[6,6a]C)(C[6]C[6]C)(O)2	O(S[6]C[6]N[6]O)	O(S[6]C[6]N[6]O)	S[6](N[6]C[6,6a]C)(C[6]C[6]C)(O)2{1|C<4>,2|C<3>}	O(S[6]C[6]N[6]O)	O(S[6]C[6]N[6]O)	118.8010	0.000	1	117.0170	6.360	7	117.0058	3.655	12	118.2519	1.944	349	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:3:1:1:	4:	4:	N[6]-3:C[6]-3:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](N[6]C[6,6a]C)(C[6]C[6]C)(O)2	O(S[6]C[6]N[6]O)	O(S[6]C[6]N[6]O)	S[6](N[6]C[6,6a]C)(C[6]C[6]C)(O)2{1|O<1>,2|C<3>}	O(S[6]C[6]N[6]O)	O(S[6]C[6]N[6]O)	112.3630	0.000	1	117.0170	6.360	7	117.0058	3.655	12	118.2519	1.944	349	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:3:1:1:	4:	4:	N[6]-3:C[6]-3:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](N[6]C[6,6a]C)(C[6]C[6]C)(O)2	O(S[6]C[6]N[6]O)	O(S[6]C[6]N[6]O)	S[6](N[6]C[6,6a]C)(C[6]C[6]C)(O)2{1|O<2>,2|C<3>}	O(S[6]C[6]N[6]O)	O(S[6]C[6]N[6]O)	117.5910	1.708	5	117.0170	6.360	7	117.0058	3.655	12	118.2519	1.944	349	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:3:1:1:	4:	4:	N[6]-3:C[6]-3:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](N[6]C[6,6a]H)(C[6]C[6]C)(O)2	O(S[6]C[6]N[6]O)	O(S[6]C[6]N[6]O)	S[6](N[6]C[6,6a]H)(C[6]C[6]C)(O)2{1|C<4>,2|C<3>}	O(S[6]C[6]N[6]O)	O(S[6]C[6]N[6]O)	116.7760	0.000	1	117.1527	0.505	4	117.0058	3.655	12	118.2519	1.944	349	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:3:1:1:	4:	4:	N[6]-3:C[6]-3:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](N[6]C[6,6a]H)(C[6]C[6]C)(O)2	O(S[6]C[6]N[6]O)	O(S[6]C[6]N[6]O)	S[6](N[6]C[6,6a]H)(C[6]C[6]C)(O)2{1|O<2>,2|C<3>}	O(S[6]C[6]N[6]O)	O(S[6]C[6]N[6]O)	117.2783	0.814	3	117.1527	0.505	4	117.0058	3.655	12	118.2519	1.944	349	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:3:1:1:	4:	4:	N[6]-3:C[6]-3:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](N[6]C[6a]C[6])(C[6]C[6]H)(O)2	O(S[6]C[6]N[6]O)	O(S[6]C[6]N[6]O)	S[6](N[6]C[6a]C[6])(C[6]C[6]H)(O)2{2|C<4>,3|C<3>}	O(S[6]C[6]N[6]O)	O(S[6]C[6]N[6]O)	116.3400	0.000	1	116.3400	0.000	1	117.0058	3.655	12	118.2519	1.944	349	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:3:1:1:	4:	4:	N[6]-3:N[6]-3:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](N[6]C[6,6]C)(N[6]C[6]H)(O)2	O(S[6]N[6]2O)	O(S[6]N[6]2O)	S[6](N[6]C[6,6]C)(N[6]C[6]H)(O)2{1|C<3>,2|C<4>,2|H<1>}	O(S[6]N[6]2O)	O(S[6]N[6]2O)	118.0083	1.403	3	118.0083	1.968	3	118.8219	2.385	10	118.2519	1.944	349	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:3:1:1:	4:	4:	N[6]-3:N[6]-3:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](N[6]C[6,6a]H)(N[6]C[6]C)(O)2	O(S[6]N[6]2O)	O(S[6]N[6]2O)	S[6](N[6]C[6,6a]H)(N[6]C[6]C)(O)2{1|O<1>,2|C<3>}	O(S[6]N[6]2O)	O(S[6]N[6]2O)	118.8970	0.000	1	118.8970	0.000	1	118.8219	2.385	10	118.2519	1.944	349	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:3:1:1:	4:	4:	N[6]-3:N[6]-3:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](N[6]C[6,6a]H)(N[6]C[6]H)(O)2	O(S[6]N[6]2O)	O(S[6]N[6]2O)	S[6](N[6]C[6,6a]H)(N[6]C[6]H)(O)2{1|H<1>,3|C<3>}	O(S[6]N[6]2O)	O(S[6]N[6]2O)	121.6480	0.000	1	121.6480	0.000	1	118.8219	2.385	10	118.2519	1.944	349	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:3:1:1:	4:	4:	N[6]-3:N[6]-3:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](N[6]C[6]C)(N[6]C[6]H)(O)2	O(S[6]N[6]2O)	O(S[6]N[6]2O)	S[6](N[6]C[6]C)(N[6]C[6]H)(O)2{1|C<3>,1|C<4>,3|H<1>}	O(S[6]N[6]2O)	O(S[6]N[6]2O)	119.1685	1.480	2	119.5130	1.451	3	118.8219	2.385	10	118.2519	1.944	349	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:3:1:1:	4:	4:	N[6]-3:N[6]-3:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](N[6]C[6]C)(N[6]C[6]H)(O)2	O(S[6]N[6]2O)	O(S[6]N[6]2O)	S[6](N[6]C[6]C)(N[6]C[6]H)(O)2{1|C<3>,4|H<1>}	O(S[6]N[6]2O)	O(S[6]N[6]2O)	120.2020	0.000	1	119.5130	1.451	3	118.8219	2.385	10	118.2519	1.944	349	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:3:1:1:	4:	4:	N[6]-3:N[6]-3:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](N[6]C[6]C)2(O)2	O(S[6]N[6]2O)	O(S[6]N[6]2O)	S[6](N[6]C[6]C)2(O)2{1|C<3>,2|C<4>,2|H<1>}	O(S[6]N[6]2O)	O(S[6]N[6]2O)	117.5210	0.000	1	117.5550	0.002	2	118.8219	2.385	10	118.2519	1.944	349	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:3:1:1:	4:	4:	N[6]-3:N[6]-3:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](N[6]C[6]C)2(O)2	O(S[6]N[6]2O)	O(S[6]N[6]2O)	S[6](N[6]C[6]C)2(O)2{1|C<4>,2|C<3>,2|H<1>}	O(S[6]N[6]2O)	O(S[6]N[6]2O)	117.5890	0.000	1	117.5550	0.002	2	118.8219	2.385	10	118.2519	1.944	349	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]CH)(O)2	O(S[6]C[5a,6]C[6]O)	O(S[6]C[5a,6]C[6]O)	S[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]CH)(O)2{1|C<4>,2|C<3>,2|H<1>}	O(S[6]C[5a,6]C[6]O)	O(S[6]C[5a,6]C[6]O)	117.4030	0.368	2	117.4030	0.135	2	117.4030	0.135	2	118.6233	0.950	39	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(O)2	O(S[6]C[6,6]C[6]O)	O(S[6]C[6,6]C[6]O)	S[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(O)2{1|H<1>,1|O<2>,3|C<3>}	O(S[6]C[6,6]C[6]O)	O(S[6]C[6,6]C[6]O)	118.5290	0.000	1	118.5290	0.000	1	118.5290	0.000	1	118.6233	0.950	39	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:4:1:1:	4:	4:	C[6,6a]-3:C[6,6]-4:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]Fe)(O)2	O(S[6]C[6,6a]C[6,6]O)	O(S[6]C[6,6a]C[6,6]O)	S[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]Fe)(O)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O(S[6]C[6,6a]C[6,6]O)	O(S[6]C[6,6a]C[6,6]O)	116.4780	0.000	1	116.4780	0.000	1	116.4780	0.000	1	118.6233	0.950	39	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)2	O(S[6]C[6,6a]C[6]O)	O(S[6]C[6,6a]C[6]O)	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)2{1|C<4>,2|C<3>,3|H<1>}	O(S[6]C[6,6a]C[6]O)	O(S[6]C[6,6a]C[6]O)	117.2165	0.230	2	117.2165	0.053	2	117.4655	0.100	4	118.6233	0.950	39	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(O)2	O(S[6]C[6,6a]C[6]O)	O(S[6]C[6,6a]C[6]O)	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(O)2{3|H<1>,5|C<3>}	O(S[6]C[6,6a]C[6]O)	O(S[6]C[6,6a]C[6]O)	117.7145	0.006	2	117.7145	0.000	2	117.4655	0.100	4	118.6233	0.950	39	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](N[6,6]C[6,6]C[6])(C[6]C[6,6]CH)(O)2	O(S[6]N[6,6]C[6]O)	O(S[6]N[6,6]C[6]O)	S[6](N[6,6]C[6,6]C[6])(C[6]C[6,6]CH)(O)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	O(S[6]N[6,6]C[6]O)	O(S[6]N[6,6]C[6]O)	119.6200	0.000	1	119.6200	0.000	1	118.9768	0.322	4	118.6233	0.950	39	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)2	O(S[6]N[6,6]C[6]O)	O(S[6]N[6,6]C[6]O)	S[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)2{1|N<3>,1|O<2>,6|H<1>}	O(S[6]N[6,6]C[6]O)	O(S[6]N[6,6]C[6]O)	118.7680	0.000	1	118.7623	0.207	3	118.9768	0.322	4	118.6233	0.950	39	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)2	O(S[6]N[6,6]C[6]O)	O(S[6]N[6,6]C[6]O)	S[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)2{2|N<3>,6|H<1>}	O(S[6]N[6,6]C[6]O)	O(S[6]N[6,6]C[6]O)	118.7595	0.643	2	118.7623	0.207	3	118.9768	0.322	4	118.6233	0.950	39	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](N[6]C[6,6a]C)(C[6]C[6]Br2)(O)2	O(S[6]C[6]N[6]O)	O(S[6]C[6]N[6]O)	S[6](N[6]C[6,6a]C)(C[6]C[6]Br2)(O)2{1|O<1>,2|C<3>}	O(S[6]C[6]N[6]O)	O(S[6]C[6]N[6]O)	119.3955	0.598	2	119.3955	0.357	2	118.9158	0.729	27	118.6233	0.950	39	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](N[6]C[6,6a]C)(C[6]C[6]Cl2)(O)2	O(S[6]C[6]N[6]O)	O(S[6]C[6]N[6]O)	S[6](N[6]C[6,6a]C)(C[6]C[6]Cl2)(O)2{1|O<1>,2|C<3>}	O(S[6]C[6]N[6]O)	O(S[6]C[6]N[6]O)	120.3110	1.113	2	120.3110	1.239	2	118.9158	0.729	27	118.6233	0.950	39	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](N[6]C[6,6a]C)(C[6]C[6]ClH)(O)2	O(S[6]C[6]N[6]O)	O(S[6]C[6]N[6]O)	S[6](N[6]C[6,6a]C)(C[6]C[6]ClH)(O)2{1|N<2>,2|C<3>}	O(S[6]C[6]N[6]O)	O(S[6]C[6]N[6]O)	119.6888	0.347	6	119.6888	0.120	6	118.9158	0.729	27	118.6233	0.950	39	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](N[6]C[6,6a]C)(C[6]C[6]HH)(O)2	O(S[6]C[6]N[6]O)	O(S[6]C[6]N[6]O)	S[6](N[6]C[6,6a]C)(C[6]C[6]HH)(O)2{1|N<2>,2|C<3>}	O(S[6]C[6]N[6]O)	O(S[6]C[6]N[6]O)	118.4456	0.608	12	118.4224	0.293	17	118.9158	0.729	27	118.6233	0.950	39	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](N[6]C[6,6a]C)(C[6]C[6]HH)(O)2	O(S[6]C[6]N[6]O)	O(S[6]C[6]N[6]O)	S[6](N[6]C[6,6a]C)(C[6]C[6]HH)(O)2{1|O<1>,2|C<3>}	O(S[6]C[6]N[6]O)	O(S[6]C[6]N[6]O)	118.3668	0.384	5	118.4224	0.293	17	118.9158	0.729	27	118.6233	0.950	39	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	4:2:1:1:	4:	4:	C[5,6,6]-4:O[6]-2:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(O[6]C[6])(O)2	O(S[6]C[5,6,6]O[6]O)	O(S[6]C[5,6,6]O[6]O)	S[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(O[6]C[6])(O)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O(S[6]C[5,6,6]O[6]O)	O(S[6]C[5,6,6]O[6]O)	118.4520	0.000	1	118.4520	0.000	1	118.4520	0.000	1	118.7407	0.618	9	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	4:2:1:1:	4:	4:	C[5,6]-4:O[6]-2:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(O)2	O(S[6]C[5,6]O[6]O)	O(S[6]C[5,6]O[6]O)	S[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(O)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	O(S[6]C[5,6]O[6]O)	O(S[6]C[5,6]O[6]O)	119.0120	0.000	1	119.0120	0.000	1	119.0120	0.000	1	118.7407	0.618	9	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	4:2:1:1:	4:	4:	C[6]-4:N[6]-2:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[6]C[6]CC)(N[6]C[6])(O)2	O(S[6]C[6]N[6]O)	O(S[6]C[6]N[6]O)	S[6](C[6]C[6]CC)(N[6]C[6])(O)2{1|C<3>,1|C<4>,2|H<1>}	O(S[6]C[6]N[6]O)	O(S[6]C[6]N[6]O)	117.0320	0.000	1	117.0320	0.000	1	118.4084	0.705	5	118.7407	0.618	9	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	4:2:1:1:	4:	4:	C[6]-4:N[6]-2:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[6]C[6]FF)(N[6]S[6])(O)2	O(S[6]C[6]N[6]O)	O(S[6]C[6]N[6]O)	S[6](C[6]C[6]FF)(N[6]S[6])(O)2{1|C<4>,2|F<1>,2|O<1>}	O(S[6]C[6]N[6]O)	O(S[6]C[6]N[6]O)	118.7525	0.388	4	118.7525	0.150	4	118.4084	0.705	5	118.7407	0.618	9	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[6]C[6a]C[6]H)(O[6]C[6,6])(O)2	O(S[6]C[6]O[6]O)	O(S[6]C[6]O[6]O)	S[6](C[6]C[6a]C[6]H)(O[6]C[6,6])(O)2{1|H<1>,1|N<3>,4|C<3>}	O(S[6]C[6]O[6]O)	O(S[6]C[6]O[6]O)	119.6270	0.000	1	119.6270	0.000	1	119.5800	0.004	2	118.7407	0.618	9	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[6]C[6a]C[6]H)(O[6]C[6])(O)2	O(S[6]C[6]O[6]O)	O(S[6]C[6]O[6]O)	S[6](C[6]C[6a]C[6]H)(O[6]C[6])(O)2{1|H<1>,1|N<3>,4|C<3>}	O(S[6]C[6]O[6]O)	O(S[6]C[6]O[6]O)	119.5330	0.000	1	119.5330	0.000	1	119.5800	0.004	2	118.7407	0.618	9	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	4:3:1:1:	4:	4:	C[5,6]-4:N[6]-3:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]C)(O)2	O(S[6]C[5,6]N[6]O)	O(S[6]C[5,6]N[6]O)	S[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]C)(O)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	O(S[6]C[5,6]N[6]O)	O(S[6]C[5,6]N[6]O)	119.3795	0.431	2	119.3795	0.185	2	119.3795	0.185	2	118.8750	1.415	9	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	4:3:1:1:	4:	4:	C[6,6]-4:N[6]-3:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(O)2	O(S[6]C[6,6]N[6]O)	O(S[6]C[6,6]N[6]O)	S[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(O)2{1|C<3>,2|C<4>,4|H<1>}	O(S[6]C[6,6]N[6]O)	O(S[6]C[6,6]N[6]O)	119.0190	0.546	2	119.0190	0.298	2	119.0190	0.298	2	118.8750	1.415	9	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[6]C[6]FF)(C[6]S[6]C)(O)2	O(S[6]C[6]2O)	O(S[6]C[6]2O)	S[6](C[6]C[6]FF)(C[6]S[6]C)(O)2{1|C<4>,2|F<1>,2|O<1>}	O(S[6]C[6]2O)	O(S[6]C[6]2O)	120.1730	0.165	2	120.1730	0.027	2	118.9410	4.567	3	118.8750	1.415	9	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[6]C[6]HH)(C[6]C[6]C)(O)2	O(S[6]C[6]2O)	O(S[6]C[6]2O)	S[6](C[6]C[6]HH)(C[6]C[6]C)(O)2{1|C<4>,1|O<2>,2|H<1>}	O(S[6]C[6]2O)	O(S[6]C[6]2O)	116.4770	0.000	1	116.4770	0.000	1	118.9410	4.567	3	118.8750	1.415	9	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[6]C[5,6]HH)(N[6]C[5,6]H)(O)2	O(S[6]C[6]N[6]O)	O(S[6]C[6]N[6]O)	S[6](C[6]C[5,6]HH)(N[6]C[5,6]H)(O)2{1|H<1>,1|O<2>,3|C<4>}	O(S[6]C[6]N[6]O)	O(S[6]C[6]N[6]O)	118.0220	0.000	1	118.0220	0.000	1	118.1275	0.022	2	118.8750	1.415	9	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[6]C[6]HH)(N[6]C[6]C)(O)2	O(S[6]C[6]N[6]O)	O(S[6]C[6]N[6]O)	S[6](C[6]C[6]HH)(N[6]C[6]C)(O)2{1|C<4>,4|H<1>}	O(S[6]C[6]N[6]O)	O(S[6]C[6]N[6]O)	118.2330	0.000	1	118.2330	0.000	1	118.1275	0.022	2	118.8750	1.415	9	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(O)2	O(S[6]C[3,6]C[6]O)	O(S[6]C[3,6]C[6]O)	S[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(O)2{2|Cl<1>,1|C<4>,1|O<2>,2|H<1>}	O(S[6]C[3,6]C[6]O)	O(S[6]C[3,6]C[6]O)	117.8490	0.000	1	117.8490	0.000	1	117.8490	0.000	1	118.1267	1.354	47	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	4:4:1:1:	4:	4:	C[4,6]-4:C[6]-4:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[4,6]N[4,6]C[4]H)(C[6]C[6]HH)(O)2	O(S[6]C[4,6]C[6]O)	O(S[6]C[4,6]C[6]O)	S[6](C[4,6]N[4,6]C[4]H)(C[6]C[6]HH)(O)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	O(S[6]C[4,6]C[6]O)	O(S[6]C[4,6]C[6]O)	119.2547	0.482	3	119.2547	0.232	3	119.2547	0.232	3	118.1267	1.354	47	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[5,6]HH)(O)2	O(S[6]C[5,6]C[6]O)	O(S[6]C[5,6]C[6]O)	S[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[5,6]HH)(O)2{1|C<3>,2|C<4>,2|O<2>,3|H<1>}	O(S[6]C[5,6]C[6]O)	O(S[6]C[5,6]C[6]O)	117.0615	0.080	2	117.0615	0.006	2	117.5778	0.239	5	118.1267	1.354	47	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O)2	O(S[6]C[5,6]C[6]O)	O(S[6]C[5,6]C[6]O)	S[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O)2{1|C<3>,1|N<3>,1|O<2>,5|H<1>}	O(S[6]C[5,6]C[6]O)	O(S[6]C[5,6]C[6]O)	117.7480	0.000	1	117.9220	0.030	3	117.5778	0.239	5	118.1267	1.354	47	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O)2	O(S[6]C[5,6]C[6]O)	O(S[6]C[5,6]C[6]O)	S[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	O(S[6]C[5,6]C[6]O)	O(S[6]C[5,6]C[6]O)	118.0930	0.000	1	117.9220	0.030	3	117.5778	0.239	5	118.1267	1.354	47	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O)2	O(S[6]C[5,6]C[6]O)	O(S[6]C[5,6]C[6]O)	S[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O)2{2|C<4>,2|O<2>,4|H<1>}	O(S[6]C[5,6]C[6]O)	O(S[6]C[5,6]C[6]O)	117.9250	0.000	1	117.9220	0.030	3	117.5778	0.239	5	118.1267	1.354	47	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O)2	O(S[6]C[6,6]C[6]O)	O(S[6]C[6,6]C[6]O)	S[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O)2{2|C<4>,2|O<2>,4|H<1>}	O(S[6]C[6,6]C[6]O)	O(S[6]C[6,6]C[6]O)	117.7920	0.093	2	117.7920	0.009	2	118.4530	0.327	7	118.1267	1.354	47	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[6,6]C[6]2S[6])(C[6]C[6,6]HH)(O)2	O(S[6]C[6,6]C[6]O)	O(S[6]C[6,6]C[6]O)	S[6](C[6,6]C[6]2S[6])(C[6]C[6,6]HH)(O)2{2|O<1>,4|H<1>,5|C<4>}	O(S[6]C[6,6]C[6]O)	O(S[6]C[6,6]C[6]O)	118.7174	0.427	5	118.7174	0.182	5	118.4530	0.327	7	118.1267	1.354	47	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[6]C[5,6]CC)(C[6]C[6]CH)(O)2	O(S[6]C[6]2O)	O(S[6]C[6]2O)	S[6](C[6]C[5,6]CC)(C[6]C[6]CH)(O)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	O(S[6]C[6]2O)	O(S[6]C[6]2O)	118.1343	0.101	3	118.1343	0.010	3	118.0414	1.751	31	118.1267	1.354	47	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[6]C[5,6]CH)(C[6]C[6]CH)(O)2	O(S[6]C[6]2O)	O(S[6]C[6]2O)	S[6](C[6]C[5,6]CH)(C[6]C[6]CH)(O)2{1|C<4>,1|H<1>,2|C<3>}	O(S[6]C[6]2O)	O(S[6]C[6]2O)	118.9275	0.220	2	118.9275	0.048	2	118.0414	1.751	31	118.1267	1.354	47	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[6]C[5,6]CH)2(O)2	O(S[6]C[6]2O)	O(S[6]C[6]2O)	S[6](C[6]C[5,6]CH)2(O)2{1|H<1>,4|C<4>}	O(S[6]C[6]2O)	O(S[6]C[6]2O)	116.8450	0.000	1	116.8450	0.000	1	118.0414	1.751	31	118.1267	1.354	47	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O)2	O(S[6]C[6]2O)	O(S[6]C[6]2O)	S[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O)2{1|N<4>,2|C<4>,2|H<1>}	O(S[6]C[6]2O)	O(S[6]C[6]2O)	117.7140	0.000	1	117.7140	0.000	1	118.0414	1.751	31	118.1267	1.354	47	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[6]C[5]2C[6])(C[6]C[6]HH)(O)2	O(S[6]C[6]2O)	O(S[6]C[6]2O)	S[6](C[6]C[5]2C[6])(C[6]C[6]HH)(O)2{2|Fe<10>,1|C<3>,2|H<1>,5|C<4>}	O(S[6]C[6]2O)	O(S[6]C[6]2O)	117.6800	0.165	2	117.6800	0.027	2	118.0414	1.751	31	118.1267	1.354	47	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O)2	O(S[6]C[6]2O)	O(S[6]C[6]2O)	S[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O)2{1|C<4>,1|N<3>,3|H<1>}	O(S[6]C[6]2O)	O(S[6]C[6]2O)	117.6020	0.000	1	117.6020	0.000	1	118.0414	1.751	31	118.1267	1.354	47	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[6]C[6,6]HH)2(O)2	O(S[6]C[6]2O)	O(S[6]C[6]2O)	S[6](C[6]C[6,6]HH)2(O)2{2|H<1>,3|C<4>}	O(S[6]C[6]2O)	O(S[6]C[6]2O)	115.9520	0.544	3	115.9520	0.296	3	118.0414	1.751	31	118.1267	1.354	47	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[6]C[6]CH)(C[6]C[6]HH)(O)2	O(S[6]C[6]2O)	O(S[6]C[6]2O)	S[6](C[6]C[6]CH)(C[6]C[6]HH)(O)2{1|C<3>,1|C<4>,3|H<1>}	O(S[6]C[6]2O)	O(S[6]C[6]2O)	118.1625	0.453	2	118.0168	0.098	4	118.0414	1.751	31	118.1267	1.354	47	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[6]C[6]CH)(C[6]C[6]HH)(O)2	O(S[6]C[6]2O)	O(S[6]C[6]2O)	S[6](C[6]C[6]CH)(C[6]C[6]HH)(O)2{1|C<3>,1|N<3>,3|H<1>}	O(S[6]C[6]2O)	O(S[6]C[6]2O)	117.9170	0.000	1	118.0168	0.098	4	118.0414	1.751	31	118.1267	1.354	47	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[6]C[6]CH)(C[6]C[6]HH)(O)2	O(S[6]C[6]2O)	O(S[6]C[6]2O)	S[6](C[6]C[6]CH)(C[6]C[6]HH)(O)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	O(S[6]C[6]2O)	O(S[6]C[6]2O)	117.8250	0.000	1	118.0168	0.098	4	118.0414	1.751	31	118.1267	1.354	47	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[6]C[6]CH)2(O)2	O(S[6]C[6]2O)	O(S[6]C[6]2O)	S[6](C[6]C[6]CH)2(O)2{1|C<4>,4|H<1>}	O(S[6]C[6]2O)	O(S[6]C[6]2O)	117.0330	0.000	1	118.2318	0.682	4	118.0414	1.751	31	118.1267	1.354	47	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[6]C[6]CH)2(O)2	O(S[6]C[6]2O)	O(S[6]C[6]2O)	S[6](C[6]C[6]CH)2(O)2{1|N<3>,2|C<3>,2|H<1>}	O(S[6]C[6]2O)	O(S[6]C[6]2O)	118.6313	0.255	3	118.2318	0.682	4	118.0414	1.751	31	118.1267	1.354	47	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[6]C[6]HH)(C[6]S[6]HH)(O)2	O(S[6]C[6]2O)	O(S[6]C[6]2O)	S[6](C[6]C[6]HH)(C[6]S[6]HH)(O)2{1|C<4>,2|H<1>,2|O<1>}	O(S[6]C[6]2O)	O(S[6]C[6]2O)	117.6835	0.056	2	117.6835	0.003	2	118.0414	1.751	31	118.1267	1.354	47	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[6]C[6]HH)2(O)2	O(S[6]C[6]2O)	O(S[6]C[6]2O)	S[6](C[6]C[6]HH)2(O)2{1|C<3>,1|C<4>,2|H<1>}	O(S[6]C[6]2O)	O(S[6]C[6]2O)	118.0900	0.000	1	117.8688	0.052	6	118.0414	1.751	31	118.1267	1.354	47	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[6]C[6]HH)2(O)2	O(S[6]C[6]2O)	O(S[6]C[6]2O)	S[6](C[6]C[6]HH)2(O)2{1|C<4>,1|O<1>,2|H<1>}	O(S[6]C[6]2O)	O(S[6]C[6]2O)	117.8300	0.000	1	117.8688	0.052	6	118.0414	1.751	31	118.1267	1.354	47	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[6]C[6]HH)2(O)2	O(S[6]C[6]2O)	O(S[6]C[6]2O)	S[6](C[6]C[6]HH)2(O)2{1|C<4>,4|H<1>}	O(S[6]C[6]2O)	O(S[6]C[6]2O)	117.6270	0.221	2	117.8688	0.052	6	118.0414	1.751	31	118.1267	1.354	47	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[6]C[6]HH)2(O)2	O(S[6]C[6]2O)	O(S[6]C[6]2O)	S[6](C[6]C[6]HH)2(O)2{1|S<4>,4|H<1>}	O(S[6]C[6]2O)	O(S[6]C[6]2O)	118.0195	0.026	2	117.8688	0.052	6	118.0414	1.751	31	118.1267	1.354	47	118.3944	2.369	589	118.4115	2.396	593
961	863	863	0:SP3_SP2_SP2	S[6]	O	O	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:O-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[6]S[6]Br2)(C[6]C[6]FF)(O)2	O(S[6]C[6]2O)	O(S[6]C[6]2O)	S[6](C[6]S[6]Br2)(C[6]C[6]FF)(O)2{1|C<4>,2|F<1>,2|O<1>}	O(S[6]C[6]2O)	O(S[6]C[6]2O)	122.0365	0.211	2	122.0365	0.045	2	118.0414	1.751	31	118.1267	1.354	47	118.3944	2.369	589	118.4115	2.396	593
961	863	901	0:SP3_SP1_SP2	S[6]	O	N	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:N-1:O-1:	S[6]-4:	S[6]-4:	S[6](C[6]C[6]CH)(C[6]C[6]HH)(N)(O)	O(S[6]C[6]2N)	N(S[6]C[6]2O)	S[6](C[6]C[6]CH)(C[6]C[6]HH)(N)(O){1|C<4>,1|O<2>,3|H<1>}	O(S[6]C[6]2N)	N(S[6]C[6]2O)	120.9100	0.000	1	120.9100	0.000	1	120.9100	0.000	1	120.9100	0.000	1	120.9100	0.000	1	120.9100	0.000	1
961	863	914	0:SP3_SP2_SP2	S[6]	O	N[6]	2:2:1:1:	4:	3:4:	N[6]-2:O[6]-2:O-1:O-1:	S[6]-4:	C[6]-3:S[6]-4:	S[6](N[6]C[6])(O[6]C[6])(O)2	O(S[6]N[6]O[6]O)	N[6](C[6]C[6a]C[6])(S[6]O[6]OO)	S[6](N[6]C[6])(O[6]C[6])(O)2{2|C<3>,2|H<1>}	O(S[6]N[6]O[6]O)	N[6](C[6]C[6a]C[6])(S[6]O[6]OO){1|C<4>,3|C<3>}	108.2730	1.061	2	108.2730	1.125	2	108.2730	1.125	2	109.8141	1.952	24	111.0670	12.647	168	111.0670	12.647	168
961	863	914	0:SP3_SP2_SP2	S[6]	O	N[6]	2:2:1:1:	4:	3:4:	O[6]-2:N[6]-2:O-1:O-1:	S[6]-4:	C[6]-3:S[6]-4:	S[6](O[6]C[5a,6])(N[6]C[6])(O)2	O(S[6]N[6]O[6]O)	N[6](C[6]N[5a,6]N[6])(S[6]O[6]OO)	S[6](O[6]C[5a,6])(N[6]C[6])(O)2{1|C<3>,2|N<3>}	O(S[6]N[6]O[6]O)	N[6](C[6]N[5a,6]N[6])(S[6]O[6]OO){1|C<3>,1|N<2>,2|C<4>}	111.8568	1.771	4	111.8568	3.136	4	109.9542	1.838	22	109.8141	1.952	24	111.0670	12.647	168	111.0670	12.647	168
961	863	914	0:SP3_SP2_SP2	S[6]	O	N[6]	2:2:1:1:	4:	3:4:	O[6]-2:N[6]-2:O-1:O-1:	S[6]-4:	C[6]-3:S[6]-4:	S[6](O[6]C[6,6a])(N[6]C[6])(O)2	O(S[6]N[6]O[6]O)	N[6](C[6]C[6,6a]C)(S[6]O[6]OO)	S[6](O[6]C[6,6a])(N[6]C[6])(O)2{1|C<4>,2|C<3>}	O(S[6]N[6]O[6]O)	N[6](C[6]C[6,6a]C)(S[6]O[6]OO){2|C<3>}	109.3905	0.158	4	109.3905	0.025	4	109.9542	1.838	22	109.8141	1.952	24	111.0670	12.647	168	111.0670	12.647	168
961	863	914	0:SP3_SP2_SP2	S[6]	O	N[6]	2:2:1:1:	4:	3:4:	O[6]-2:N[6]-2:O-1:O-1:	S[6]-4:	C[6]-3:S[6]-4:	S[6](O[6]C[6,6a])(N[6]C[6])(O)2	O(S[6]N[6]O[6]O)	N[6](C[6]C[6,6a]C[3])(S[6]O[6]OO)	S[6](O[6]C[6,6a])(N[6]C[6])(O)2{1|C<4>,2|C<3>}	O(S[6]N[6]O[6]O)	N[6](C[6]C[6,6a]C[3])(S[6]O[6]OO){1|H<1>,2|C<3>,2|C<4>}	109.7368	0.431	6	109.7368	0.185	6	109.9542	1.838	22	109.8141	1.952	24	111.0670	12.647	168	111.0670	12.647	168
961	863	914	0:SP3_SP2_SP2	S[6]	O	N[6]	2:2:1:1:	4:	3:4:	O[6]-2:N[6]-2:O-1:O-1:	S[6]-4:	C[6]-3:S[6]-4:	S[6](O[6]C[6,6a])(N[6]C[6])(O)2	O(S[6]N[6]O[6]O)	N[6](C[6]C[6,6a]C[5])(S[6]O[6]OO)	S[6](O[6]C[6,6a])(N[6]C[6])(O)2{1|C<4>,2|C<3>}	O(S[6]N[6]O[6]O)	N[6](C[6]C[6,6a]C[5])(S[6]O[6]OO){1|H<1>,2|C<3>,2|C<4>}	109.0450	0.844	4	109.0450	0.713	4	109.9542	1.838	22	109.8141	1.952	24	111.0670	12.647	168	111.0670	12.647	168
961	863	914	0:SP3_SP2_SP2	S[6]	O	N[6]	2:2:1:1:	4:	3:4:	O[6]-2:N[6]-2:O-1:O-1:	S[6]-4:	C[6]-3:S[6]-4:	S[6](O[6]C[6,6a])(N[6]C[6])(O)2	O(S[6]N[6]O[6]O)	N[6](C[6]C[6,6a]C[6a])(S[6]O[6]OO)	S[6](O[6]C[6,6a])(N[6]C[6])(O)2{3|C<3>}	O(S[6]N[6]O[6]O)	N[6](C[6]C[6,6a]C[6a])(S[6]O[6]OO){4|C<3>}	109.1420	0.781	2	109.1420	0.609	2	109.9542	1.838	22	109.8141	1.952	24	111.0670	12.647	168	111.0670	12.647	168
961	863	914	0:SP3_SP2_SP2	S[6]	O	N[6]	2:2:1:1:	4:	3:4:	O[6]-2:N[6]-2:O-1:O-1:	S[6]-4:	C[6]-3:S[6]-4:	S[6](O[6]C[6,6a])(N[6]C[6])(O)2	O(S[6]N[6]O[6]O)	N[6](C[6]C[6,6a]N[6])(S[6]O[6]OO)	S[6](O[6]C[6,6a])(N[6]C[6])(O)2{1|N<3>,2|C<3>}	O(S[6]N[6]O[6]O)	N[6](C[6]C[6,6a]N[6])(S[6]O[6]OO){2|C<3>,2|C<4>}	110.5595	2.012	2	110.5595	4.047	2	109.9542	1.838	22	109.8141	1.952	24	111.0670	12.647	168	111.0670	12.647	168
961	863	914	0:SP3_SP2_SP2	S[6]	O	N[6]	2:2:1:1:	4:	4:3:	N[6]-2:N[6]-2:Cl-1:O-1:	S[6]-4:	S[6]-4:C[6]-3:	S[6](N[6]C[6])2(Cl)(O)	O(S[6]N[6]2Cl)	N[6](S[6]N[6]ClO)(C[6]N[6]Cl)	S[6](N[6]C[6])2(Cl)(O){2|Cl<1>,1|N<2>}	O(S[6]N[6]2Cl)	N[6](S[6]N[6]ClO)(C[6]N[6]Cl){1|C<3>}	114.0870	0.269	7	114.0870	0.072	7	114.0870	0.072	7	112.2501	2.563	29	111.0670	12.647	168	111.0670	12.647	168
961	863	914	0:SP3_SP2_SP2	S[6]	O	N[6]	2:2:1:1:	4:	4:3:	N[6]-2:O[6]-2:O-1:O-1:	S[6]-4:	S[6]-4:C[6]-3:	S[6](N[6]C[6])(O[6]C[6])(O)2	O(S[6]N[6]O[6]O)	N[6](S[6]O[6]OO)(C[6]C[6]O)	S[6](N[6]C[6])(O[6]C[6])(O)2{1|C<3>,1|C<4>,1|O<1>}	O(S[6]N[6]O[6]O)	N[6](S[6]O[6]OO)(C[6]C[6]O){1|C<3>,1|H<1>}	111.8012	1.456	18	111.6657	1.914	22	111.6657	1.914	22	112.2501	2.563	29	111.0670	12.647	168	111.0670	12.647	168
961	863	914	0:SP3_SP2_SP2	S[6]	O	N[6]	2:2:1:1:	4:	4:3:	N[6]-2:O[6]-2:O-1:O-1:	S[6]-4:	S[6]-4:C[6]-3:	S[6](N[6]C[6])(O[6]C[6])(O)2	O(S[6]N[6]O[6]O)	N[6](S[6]O[6]OO)(C[6]C[6]O)	S[6](N[6]C[6])(O[6]C[6])(O)2{1|C<3>,1|C<4>,1|O<2>}	O(S[6]N[6]O[6]O)	N[6](S[6]O[6]OO)(C[6]C[6]O){1|C<3>,1|H<1>}	111.0560	0.882	4	111.6657	1.914	22	111.6657	1.914	22	112.2501	2.563	29	111.0670	12.647	168	111.0670	12.647	168
961	863	914	0:SP3_SP2_SP2	S[6]	O	N[6]	2:2:1:1:	4:	4:4:	O[6]-2:N[6]-2:O-1:O-1:	S[6]-4:	C[6]-4:S[6]-4:	S[6](O[6]C[6,6a])(N[6]C[6])(O)2	O(S[6]N[6]O[6]O)	N[6](C[6]C[6,6a]CC)(S[6]O[6]OO)	S[6](O[6]C[6,6a])(N[6]C[6])(O)2{2|C<3>,2|C<4>}	O(S[6]N[6]O[6]O)	N[6](C[6]C[6,6a]CC)(S[6]O[6]OO){2|C<3>}	110.0040	2.283	2	110.0040	5.210	2	110.6380	6.934	12	110.6380	6.934	12	111.0670	12.647	168	111.0670	12.647	168
961	863	914	0:SP3_SP2_SP2	S[6]	O	N[6]	2:2:1:1:	4:	4:4:	O[6]-2:N[6]-2:O-1:O-1:	S[6]-4:	C[6]-4:S[6]-4:	S[6](O[6]C[6,6a])(N[6]C[6])(O)2	O(S[6]N[6]O[6]O)	N[6](C[6]C[6,6a]CH)(S[6]O[6]OO)	S[6](O[6]C[6,6a])(N[6]C[6])(O)2{1|C<4>,1|H<1>,2|C<3>}	O(S[6]N[6]O[6]O)	N[6](C[6]C[6,6a]CH)(S[6]O[6]OO){2|C<3>}	109.3270	0.550	2	109.3270	0.303	2	110.6380	6.934	12	110.6380	6.934	12	111.0670	12.647	168	111.0670	12.647	168
961	863	914	0:SP3_SP2_SP2	S[6]	O	N[6]	2:2:1:1:	4:	4:4:	O[6]-2:N[6]-2:O-1:O-1:	S[6]-4:	C[6]-4:S[6]-4:	S[6](O[6]C[6,6a])(N[6]C[6])(O)2	O(S[6]N[6]O[6]O)	N[6](C[6]C[6,6a]C[6]H)(S[6]O[6]OO)	S[6](O[6]C[6,6a])(N[6]C[6])(O)2{1|C<4>,1|H<1>,2|C<3>}	O(S[6]N[6]O[6]O)	N[6](C[6]C[6,6a]C[6]H)(S[6]O[6]OO){1|H<1>,2|C<3>,2|C<4>}	114.5190	3.896	2	111.9605	14.259	4	110.6380	6.934	12	110.6380	6.934	12	111.0670	12.647	168	111.0670	12.647	168
961	863	914	0:SP3_SP2_SP2	S[6]	O	N[6]	2:2:1:1:	4:	4:4:	O[6]-2:N[6]-2:O-1:O-1:	S[6]-4:	C[6]-4:S[6]-4:	S[6](O[6]C[6,6a])(N[6]C[6])(O)2	O(S[6]N[6]O[6]O)	N[6](C[6]C[6,6a]C[6]H)(S[6]O[6]OO)	S[6](O[6]C[6,6a])(N[6]C[6])(O)2{1|H<1>,3|C<3>}	O(S[6]N[6]O[6]O)	N[6](C[6]C[6,6a]C[6]H)(S[6]O[6]OO){4|C<3>}	109.4020	1.189	2	111.9605	14.259	4	110.6380	6.934	12	110.6380	6.934	12	111.0670	12.647	168	111.0670	12.647	168
961	863	914	0:SP3_SP2_SP2	S[6]	O	N[6]	2:2:1:1:	4:	4:4:	O[6]-2:N[6]-2:O-1:O-1:	S[6]-4:	C[6]-4:S[6]-4:	S[6](O[6]C[6,6a])(N[6]C[6])(O)2	O(S[6]N[6]O[6]O)	N[6](C[6]C[6,6a]C[6a]C)(S[6]O[6]OO)	S[6](O[6]C[6,6a])(N[6]C[6])(O)2{4|C<3>}	O(S[6]N[6]O[6]O)	N[6](C[6]C[6,6a]C[6a]C)(S[6]O[6]OO){4|C<3>}	109.2065	0.168	2	109.2065	0.028	2	110.6380	6.934	12	110.6380	6.934	12	111.0670	12.647	168	111.0670	12.647	168
961	863	914	0:SP3_SP2_SP2	S[6]	O	N[6]	2:2:1:1:	4:	4:4:	O[6]-2:N[6]-2:O-1:O-1:	S[6]-4:	C[6]-4:S[6]-4:	S[6](O[6]C[6,6a])(N[6]C[6])(O)2	O(S[6]N[6]O[6]O)	N[6](C[6]C[6,6a]C[6a]P)(S[6]O[6]OO)	S[6](O[6]C[6,6a])(N[6]C[6])(O)2{1|P<4>,3|C<3>}	O(S[6]N[6]O[6]O)	N[6](C[6]C[6,6a]C[6a]P)(S[6]O[6]OO){4|C<3>}	111.3695	3.399	2	111.3695	11.554	2	110.6380	6.934	12	110.6380	6.934	12	111.0670	12.647	168	111.0670	12.647	168
961	863	914	0:SP3_SP2_SP2	S[6]	O	N[6]	3:2:1:1:	4:	3:4:	C[6,6a]-3:N[6]-2:O-1:O-1:	S[6]-4:	C[5,6]-3:S[6]-4:	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6])(O)2	O(S[6]C[6,6a]N[6]O)	N[6](C[5,6]C[5,6a]C[5,6])(S[6]C[6,6a]OO)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6])(O)2{1|H<1>,4|C<3>}	O(S[6]C[6,6a]N[6]O)	N[6](C[5,6]C[5,6a]C[5,6])(S[6]C[6,6a]OO){5|C<3>}	106.9075	1.176	2	106.9075	1.383	2	107.9922	3.698	4	107.6173	2.684	6	111.0670	12.647	168	111.0670	12.647	168
961	863	914	0:SP3_SP2_SP2	S[6]	O	N[6]	3:2:1:1:	4:	3:4:	C[6,6a]-3:N[6]-2:O-1:O-1:	S[6]-4:	C[5,6]-3:S[6]-4:	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6])(O)2	O(S[6]C[6,6a]N[6]O)	N[6](C[5,6]N[5,6]N[5])(S[6]C[6,6a]OO)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6])(O)2{1|Cl<1>,2|C<3>,2|N<3>}	O(S[6]C[6,6a]N[6]O)	N[6](C[5,6]N[5,6]N[5])(S[6]C[6,6a]OO){1|C<4>,4|C<3>}	109.0770	2.237	2	109.0770	5.005	2	107.9922	3.698	4	107.6173	2.684	6	111.0670	12.647	168	111.0670	12.647	168
961	863	914	0:SP3_SP2_SP2	S[6]	O	N[6]	3:2:1:1:	4:	3:4:	C[6,6a]-3:N[6]-2:O-1:O-1:	S[6]-4:	C[5a,6]-3:S[6]-4:	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6])(O)2	O(S[6]C[6,6a]N[6]O)	N[6](C[5a,6]C[5a,6a]C[5a,6])(S[6]C[6,6a]OO)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6])(O)2{1|H<1>,4|C<3>}	O(S[6]C[6,6a]N[6]O)	N[6](C[5a,6]C[5a,6a]C[5a,6])(S[6]C[6,6a]OO){5|C<3>}	106.8675	0.798	2	106.8675	0.637	2	106.8675	0.637	2	107.6173	2.684	6	111.0670	12.647	168	111.0670	12.647	168
961	863	914	0:SP3_SP2_SP2	S[6]	O	N[6]	3:2:1:1:	4:	4:3:	C[6,6a]-3:N[6]-2:O-1:O-1:	S[6]-4:	S[6]-4:C[6]-3:	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2	O(S[6]C[6,6a]N[6]O)	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2{1|H<1>,4|C<3>}	O(S[6]C[6,6a]N[6]O)	N[6](S[6]C[6,6a]OO)(C[6]C[6]C){1|O<2>,2|C<3>}	111.4720	2.171	2	111.4720	4.712	2	108.9832	1.950	37	109.4626	2.173	51	111.0670	12.647	168	111.0670	12.647	168
961	863	914	0:SP3_SP2_SP2	S[6]	O	N[6]	3:2:1:1:	4:	4:3:	C[6,6a]-3:N[6]-2:O-1:O-1:	S[6]-4:	S[6]-4:C[6]-3:	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2	O(S[6]C[6,6a]N[6]O)	N[6](S[6]C[6,6a]OO)(C[6]N[6]C)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2{1|C<4>,1|H<1>,1|N<2>,2|C<3>}	O(S[6]C[6,6a]N[6]O)	N[6](S[6]C[6,6a]OO)(C[6]N[6]C){2|C<3>}	108.5265	0.520	2	108.3252	1.250	6	108.9832	1.950	37	109.4626	2.173	51	111.0670	12.647	168	111.0670	12.647	168
961	863	914	0:SP3_SP2_SP2	S[6]	O	N[6]	3:2:1:1:	4:	4:3:	C[6,6a]-3:N[6]-2:O-1:O-1:	S[6]-4:	S[6]-4:C[6]-3:	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2	O(S[6]C[6,6a]N[6]O)	N[6](S[6]C[6,6a]OO)(C[6]N[6]C)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	O(S[6]C[6,6a]N[6]O)	N[6](S[6]C[6,6a]OO)(C[6]N[6]C){1|H<1>,2|C<3>}	108.2245	1.398	4	108.3252	1.250	6	108.9832	1.950	37	109.4626	2.173	51	111.0670	12.647	168	111.0670	12.647	168
961	863	914	0:SP3_SP2_SP2	S[6]	O	N[6]	3:2:1:1:	4:	4:3:	C[6,6a]-3:N[6]-2:O-1:O-1:	S[6]-4:	S[6]-4:C[6]-3:	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2	O(S[6]C[6,6a]N[6]O)	N[6](S[6]C[6,6a]OO)(C[6]N[6]H)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2{1|N<2>,2|C<3>,2|H<1>}	O(S[6]C[6,6a]N[6]O)	N[6](S[6]C[6,6a]OO)(C[6]N[6]H){2|C<3>}	108.2845	0.794	2	108.4486	0.394	14	108.9832	1.950	37	109.4626	2.173	51	111.0670	12.647	168	111.0670	12.647	168
961	863	914	0:SP3_SP2_SP2	S[6]	O	N[6]	3:2:1:1:	4:	4:3:	C[6,6a]-3:N[6]-2:O-1:O-1:	S[6]-4:	S[6]-4:C[6]-3:	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2	O(S[6]C[6,6a]N[6]O)	N[6](S[6]C[6,6a]OO)(C[6]N[6]H)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2{1|N<3>,2|C<3>,2|H<1>}	O(S[6]C[6,6a]N[6]O)	N[6](S[6]C[6,6a]OO)(C[6]N[6]H){1|H<1>,2|C<3>}	108.4760	0.634	12	108.4486	0.394	14	108.9832	1.950	37	109.4626	2.173	51	111.0670	12.647	168	111.0670	12.647	168
961	863	914	0:SP3_SP2_SP2	S[6]	O	N[6]	3:2:1:1:	4:	4:3:	C[6,6a]-3:N[6]-2:O-1:O-1:	S[6]-4:	S[6]-4:C[6]-3:	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2	O(S[6]C[6,6a]N[6]O)	N[6](S[6]C[6,6a]OO)(C[6]N[6]N)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2{1|H<1>,1|N<2>,1|N<3>,2|C<3>}	O(S[6]C[6,6a]N[6]O)	N[6](S[6]C[6,6a]OO)(C[6]N[6]N){1|H<1>,2|C<3>}	109.6913	2.084	6	109.7335	3.291	8	108.9832	1.950	37	109.4626	2.173	51	111.0670	12.647	168	111.0670	12.647	168
961	863	914	0:SP3_SP2_SP2	S[6]	O	N[6]	3:2:1:1:	4:	4:3:	C[6,6a]-3:N[6]-2:O-1:O-1:	S[6]-4:	S[6]-4:C[6]-3:	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2	O(S[6]C[6,6a]N[6]O)	N[6](S[6]C[6,6a]OO)(C[6]N[6]N)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2{1|H<1>,2|C<3>,2|N<3>}	O(S[6]C[6,6a]N[6]O)	N[6](S[6]C[6,6a]OO)(C[6]N[6]N){1|H<1>,2|C<3>}	109.8600	1.134	2	109.7335	3.291	8	108.9832	1.950	37	109.4626	2.173	51	111.0670	12.647	168	111.0670	12.647	168
961	863	914	0:SP3_SP2_SP2	S[6]	O	N[6]	3:2:1:1:	4:	4:3:	C[6,6a]-3:N[6]-2:O-1:O-1:	S[6]-4:	S[6]-4:C[6]-3:	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2	O(S[6]C[6,6a]N[6]O)	N[6](S[6]C[6,6a]OO)(C[6]N[6]O)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>}	O(S[6]C[6,6a]N[6]O)	N[6](S[6]C[6,6a]OO)(C[6]N[6]O){1|H<1>,2|C<3>}	108.9040	0.419	3	108.9040	0.176	3	108.9832	1.950	37	109.4626	2.173	51	111.0670	12.647	168	111.0670	12.647	168
961	863	914	0:SP3_SP2_SP2	S[6]	O	N[6]	3:2:1:1:	4:	4:3:	C[6,6a]-3:N[6]-2:O-1:O-1:	S[6]-4:	S[6]-4:C[6]-3:	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2	O(S[6]C[6,6a]N[6]O)	N[6](S[6]C[6,6a]OO)(C[6]N[6]S)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2{1|H<1>,1|N<3>,1|S<2>,2|C<3>}	O(S[6]C[6,6a]N[6]O)	N[6](S[6]C[6,6a]OO)(C[6]N[6]S){1|H<1>,2|C<3>}	108.9765	0.718	2	108.9765	0.515	2	108.9832	1.950	37	109.4626	2.173	51	111.0670	12.647	168	111.0670	12.647	168
961	863	914	0:SP3_SP2_SP2	S[6]	O	N[6]	3:2:1:1:	4:	4:3:	C[6,6a]-3:N[6]-2:O-1:O-1:	S[6]-4:	S[6]-4:C[6]-3:	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2	O(S[6]C[6,6a]N[6]O)	N[6](S[6]C[6,6a]OO)(C[6]S[6]N)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2{1|H<1>,1|N<2>,1|S<2>,2|C<3>}	O(S[6]C[6,6a]N[6]O)	N[6](S[6]C[6,6a]OO)(C[6]S[6]N){2|C<3>}	109.3355	2.542	2	109.3355	6.462	2	108.9832	1.950	37	109.4626	2.173	51	111.0670	12.647	168	111.0670	12.647	168
961	863	914	0:SP3_SP2_SP2	S[6]	O	N[6]	3:2:1:1:	4:	4:3:	N[5a,6]-3:N[6]-2:O-1:O-1:	S[6]-4:	S[6]-4:C[6]-3:	S[6](N[5a,6]C[5a,6]N[5a])(N[6]C[6])(O)2	O(S[6]N[5a,6]N[6]O)	N[6](S[6]N[5a,6]OO)(C[6]O[6]N)	S[6](N[5a,6]C[5a,6]N[5a])(N[6]C[6])(O)2{1|N<3>,1|O<2>,2|C<3>}	O(S[6]N[5a,6]N[6]O)	N[6](S[6]N[5a,6]OO)(C[6]O[6]N){1|C<3>,1|N<2>}	111.1755	0.832	2	111.1755	0.693	2	111.1755	0.693	2	109.4626	2.173	51	111.0670	12.647	168	111.0670	12.647	168
961	863	914	0:SP3_SP2_SP2	S[6]	O	N[6]	3:2:1:1:	4:	4:3:	N[6]-3:N[6]-2:O-1:O-1:	S[6]-4:	S[6]-4:C[6]-3:	S[6](N[6]C[6]C)(N[6]C[6])(O)2	O(S[6]N[6]2O)	N[6](S[6]N[6]OO)(C[6]C[6]C)	S[6](N[6]C[6]C)(N[6]C[6])(O)2{1|C<3>,1|C<4>,1|H<1>}	O(S[6]N[6]2O)	N[6](S[6]N[6]OO)(C[6]C[6]C){1|C<4>,2|C<3>}	110.8550	0.438	2	110.6462	0.209	6	110.6551	0.576	12	109.4626	2.173	51	111.0670	12.647	168	111.0670	12.647	168
961	863	914	0:SP3_SP2_SP2	S[6]	O	N[6]	3:2:1:1:	4:	4:3:	N[6]-3:N[6]-2:O-1:O-1:	S[6]-4:	S[6]-4:C[6]-3:	S[6](N[6]C[6]C)(N[6]C[6])(O)2	O(S[6]N[6]2O)	N[6](S[6]N[6]OO)(C[6]C[6]C)	S[6](N[6]C[6]C)(N[6]C[6])(O)2{1|C<3>,2|C<4>}	O(S[6]N[6]2O)	N[6](S[6]N[6]OO)(C[6]C[6]C){1|C<4>,2|C<3>}	110.5417	0.490	4	110.6462	0.209	6	110.6551	0.576	12	109.4626	2.173	51	111.0670	12.647	168	111.0670	12.647	168
961	863	914	0:SP3_SP2_SP2	S[6]	O	N[6]	3:2:1:1:	4:	4:3:	N[6]-3:N[6]-2:O-1:O-1:	S[6]-4:	S[6]-4:C[6]-3:	S[6](N[6]C[6]H)(N[6]C[6])(O)2	O(S[6]N[6]2O)	N[6](S[6]N[6]OO)(C[6]C[6]C)	S[6](N[6]C[6]H)(N[6]C[6])(O)2{1|C<3>,2|C<4>}	O(S[6]N[6]2O)	N[6](S[6]N[6]OO)(C[6]C[6]C){1|H<1>,2|C<3>}	110.0765	0.556	2	110.0765	0.310	2	110.6551	0.576	12	109.4626	2.173	51	111.0670	12.647	168	111.0670	12.647	168
961	863	914	0:SP3_SP2_SP2	S[6]	O	N[6]	3:2:1:1:	4:	4:3:	N[6]-3:N[6]-2:O-1:O-1:	S[6]-4:	S[6]-4:C[6]-3:	S[6](N[6]C[6a]C[6])(N[6]C[6])(O)2	O(S[6]N[6]2O)	N[6](S[6]N[6]OO)(C[6]N[6]N)	S[6](N[6]C[6a]C[6])(N[6]C[6])(O)2{1|C<4>,2|N<3>,3|C<3>}	O(S[6]N[6]2O)	N[6](S[6]N[6]OO)(C[6]N[6]N){1|C<3>,1|C<4>,1|H<1>}	110.1930	0.127	2	110.9578	1.315	4	110.6551	0.576	12	109.4626	2.173	51	111.0670	12.647	168	111.0670	12.647	168
961	863	914	0:SP3_SP2_SP2	S[6]	O	N[6]	3:2:1:1:	4:	4:3:	N[6]-3:N[6]-2:O-1:O-1:	S[6]-4:	S[6]-4:C[6]-3:	S[6](N[6]C[6a]C[6])(N[6]C[6])(O)2	O(S[6]N[6]2O)	N[6](S[6]N[6]OO)(C[6]N[6]N)	S[6](N[6]C[6a]C[6])(N[6]C[6])(O)2{1|N<2>,1|N<3>,3|C<3>}	O(S[6]N[6]2O)	N[6](S[6]N[6]OO)(C[6]N[6]N){2|C<3>}	111.7225	1.261	2	110.9578	1.315	4	110.6551	0.576	12	109.4626	2.173	51	111.0670	12.647	168	111.0670	12.647	168
961	863	914	0:SP3_SP2_SP2	S[6]	O	N[6]	3:2:1:1:	4:	4:4:	C[6,6a]-3:N[6]-2:O-1:O-1:	S[6]-4:	C[6]-4:S[6]-4:	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2	O(S[6]C[6,6a]N[6]O)	N[6](C[6]C[6a]C[6]H)(S[6]C[6,6a]OO)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2{1|C<4>,2|H<1>,3|C<3>}	O(S[6]C[6,6a]N[6]O)	N[6](C[6]C[6a]C[6]H)(S[6]C[6,6a]OO){1|H<1>,1|O<1>,4|C<3>}	108.3650	0.081	2	108.3650	0.006	2	108.3650	0.006	2	108.1349	0.637	14	111.0670	12.647	168	111.0670	12.647	168
961	863	914	0:SP3_SP2_SP2	S[6]	O	N[6]	3:2:1:1:	4:	4:4:	C[6,6a]-3:N[6]-2:O-1:O-1:	S[6]-4:	S[6]-4:C[6]-4:	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2	O(S[6]C[6,6a]N[6]O)	N[6](S[6]C[6,6a]OO)(C[6]C[6]CO)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2{1|H<1>,1|O<2>,4|C<3>}	O(S[6]C[6,6a]N[6]O)	N[6](S[6]C[6,6a]OO)(C[6]C[6]CO){1|O<1>,2|C<3>}	107.9565	2.024	2	107.9565	4.098	2	107.8325	0.717	8	108.1349	0.637	14	111.0670	12.647	168	111.0670	12.647	168
961	863	914	0:SP3_SP2_SP2	S[6]	O	N[6]	3:2:1:1:	4:	4:4:	C[6,6a]-3:N[6]-2:O-1:O-1:	S[6]-4:	S[6]-4:C[6]-4:	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2	O(S[6]C[6,6a]N[6]O)	N[6](S[6]C[6,6a]OO)(C[6]C[6]HH)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2{3|C<3>,3|H<1>}	O(S[6]C[6,6a]N[6]O)	N[6](S[6]C[6,6a]OO)(C[6]C[6]HH){1|N<2>,2|C<3>}	107.4255	0.202	2	107.4255	0.041	2	107.8325	0.717	8	108.1349	0.637	14	111.0670	12.647	168	111.0670	12.647	168
961	863	914	0:SP3_SP2_SP2	S[6]	O	N[6]	3:2:1:1:	4:	4:4:	C[6,6a]-3:N[6]-2:O-1:O-1:	S[6]-4:	S[6]-4:C[6]-4:	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2	O(S[6]C[6,6a]N[6]O)	N[6](S[6]C[6,6a]OO)(C[6]N[6]HH)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2{1|C<3>,1|N<2>,1|N<3>,3|H<1>}	O(S[6]C[6,6a]N[6]O)	N[6](S[6]C[6,6a]OO)(C[6]N[6]HH){1|C<4>,2|C<3>}	107.9670	0.522	2	107.9740	0.146	4	107.8325	0.717	8	108.1349	0.637	14	111.0670	12.647	168	111.0670	12.647	168
961	863	914	0:SP3_SP2_SP2	S[6]	O	N[6]	3:2:1:1:	4:	4:4:	C[6,6a]-3:N[6]-2:O-1:O-1:	S[6]-4:	S[6]-4:C[6]-4:	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2	O(S[6]C[6,6a]N[6]O)	N[6](S[6]C[6,6a]OO)(C[6]N[6]HH)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2{1|N<2>,2|C<3>,3|H<1>}	O(S[6]C[6,6a]N[6]O)	N[6](S[6]C[6,6a]OO)(C[6]N[6]HH){2|C<3>}	107.9810	0.406	2	107.9740	0.146	4	107.8325	0.717	8	108.1349	0.637	14	111.0670	12.647	168	111.0670	12.647	168
961	863	914	0:SP3_SP2_SP2	S[6]	O	N[6]	3:2:1:1:	4:	4:4:	N[6,6]-3:N[6]-2:O-1:O-1:	S[6]-4:	S[6]-4:C[6]-4:	S[6](N[6,6]C[6,6]C[6])(N[6]C[6])(O)2	O(S[6]N[6,6]N[6]O)	N[6](S[6]N[6,6]OO)(C[6]C[6]CH)	S[6](N[6,6]C[6,6]C[6])(N[6]C[6])(O)2{4|C<4>,4|H<1>}	O(S[6]N[6,6]N[6]O)	N[6](S[6]N[6,6]OO)(C[6]C[6]CH){2|C<4>,2|H<1>}	108.6245	0.698	4	108.6245	0.488	4	108.6245	0.488	4	108.1349	0.637	14	111.0670	12.647	168	111.0670	12.647	168
961	863	914	0:SP3_SP2_SP2	S[6]	O	N[6]	3:2:2:1:	4:	4:3:	C[6a]-3:N[6]-2:N[6]-2:O-1:	S[6]-4:	S[6]-4:C[6]-3:	S[6](C[6a]C[6a]2)(N[6]C[6])2(O)	O(S[6]C[6a]N[6]2)	N[6](S[6]C[6a]N[6]O)(C[6]C[6a]N[6])	S[6](C[6a]C[6a]2)(N[6]C[6])2(O){1|N<2>,2|H<1>,4|C<3>}	O(S[6]C[6a]N[6]2)	N[6](S[6]C[6a]N[6]O)(C[6]C[6a]N[6]){5|C<3>}	112.7780	1.259	2	112.7780	1.584	2	112.7780	1.584	2	112.7780	1.584	2	111.0670	12.647	168	111.0670	12.647	168
961	863	914	0:SP3_SP2_SP2	S[6]	O	N[6]	3:2:2:1:	4:	4:4:	C[6a]-3:N[6]-2:N[6]-2:O-1:	S[6]-4:	S[6]-4:P[6]-4:	S[6](C[6a]C[6a]2)(N[6]P[6])2(O)	O(S[6]C[6a]N[6]2)	N[6](S[6]C[6a]N[6]O)(P[6]N[6]OO)	S[6](C[6a]C[6a]2)(N[6]P[6])2(O){1|N<2>,2|C<3>,2|H<1>,4|O<2>}	O(S[6]C[6a]N[6]2)	N[6](S[6]C[6a]N[6]O)(P[6]N[6]OO){1|P<4>,2|C<3>}	111.4500	0.488	2	111.4500	0.238	2	111.4500	0.238	2	111.4500	0.238	2	111.0670	12.647	168	111.0670	12.647	168
961	863	914	0:SP3_SP2_SP2	S[6]	O	N[6]	3:2:3:1:	4:	3:4:	C[6a]-3:N[6]-2:C[6]-3:O-1:	S[6]-4:	C[6,6a]-3:S[6]-4:	S[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]C[6]H)(O)	O(S[6]C[6a]C[6]N[6])	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6a]C[6]O)	S[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]C[6]H)(O){3|H<1>,4|C<3>}	O(S[6]C[6a]C[6]N[6])	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6a]C[6]O){1|H<1>,1|O<2>,5|C<3>}	117.1505	0.873	2	117.1505	0.763	2	117.1505	0.763	2	117.1505	0.763	2	111.0670	12.647	168	111.0670	12.647	168
961	863	914	0:SP3_SP2_SP2	S[6]	O	N[6]	3:2:4:1:	4:	3:4:	C[6,6a]-3:N[6]-2:C-4:O-1:	S[6]-4:	C[6,6a]-3:S[6]-4:	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a])(CCHH)(O)	O(S[6]C[6,6a]N[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6,6a]CO)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a])(CCHH)(O){1|H<1>,4|C<3>}	O(S[6]C[6,6a]N[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6,6a]CO){1|I<1>,4|C<3>}	118.7150	0.000	1	118.7150	0.000	1	118.6573	0.034	3	119.6260	1.542	13	111.0670	12.647	168	111.0670	12.647	168
961	863	914	0:SP3_SP2_SP2	S[6]	O	N[6]	3:2:4:1:	4:	3:4:	C[6,6a]-3:N[6]-2:C-4:O-1:	S[6]-4:	C[6,6a]-3:S[6]-4:	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a])(CH3)(O)	O(S[6]C[6,6a]N[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6,6a]CO)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a])(CH3)(O){1|H<1>,4|C<3>}	O(S[6]C[6,6a]N[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6,6a]CO){1|H<1>,4|C<3>}	118.6285	0.250	2	118.6285	0.062	2	118.6573	0.034	3	119.6260	1.542	13	111.0670	12.647	168	111.0670	12.647	168
961	863	914	0:SP3_SP2_SP2	S[6]	O	N[6]	3:2:4:1:	4:	3:4:	C[6a]-3:N[6]-2:C[6]-4:O-1:	S[6]-4:	C[6,6a]-3:S[6]-4:	S[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]C[6]CH)(O)	O(S[6]C[6a]C[6]N[6])	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6a]C[6]O)	S[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]C[6]CH)(O){3|H<1>,5|C<3>}	O(S[6]C[6a]C[6]N[6])	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6a]C[6]O){1|H<1>,3|C<4>,4|C<3>}	119.8313	1.395	3	119.8313	1.947	3	119.9166	1.642	10	119.6260	1.542	13	111.0670	12.647	168	111.0670	12.647	168
961	863	914	0:SP3_SP2_SP2	S[6]	O	N[6]	3:2:4:1:	4:	3:4:	C[6a]-3:N[6]-2:C[6]-4:O-1:	S[6]-4:	C[6,6a]-3:S[6]-4:	S[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]C[6]HH)(O)	O(S[6]C[6a]C[6]N[6])	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6a]C[6]O)	S[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]C[6]HH)(O){1|C<4>,3|H<1>,4|C<3>}	O(S[6]C[6a]C[6]N[6])	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6a]C[6]O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	120.0270	0.000	1	119.9531	1.809	7	119.9166	1.642	10	119.6260	1.542	13	111.0670	12.647	168	111.0670	12.647	168
961	863	914	0:SP3_SP2_SP2	S[6]	O	N[6]	3:2:4:1:	4:	3:4:	C[6a]-3:N[6]-2:C[6]-4:O-1:	S[6]-4:	C[6,6a]-3:S[6]-4:	S[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]C[6]HH)(O)	O(S[6]C[6a]C[6]N[6])	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6a]C[6]O)	S[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]C[6]HH)(O){1|C<4>,3|H<1>,4|C<3>}	O(S[6]C[6a]C[6]N[6])	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6a]C[6]O){1|C<4>,3|H<1>,4|C<3>}	119.8348	1.621	5	119.9531	1.809	7	119.9166	1.642	10	119.6260	1.542	13	111.0670	12.647	168	111.0670	12.647	168
961	863	914	0:SP3_SP2_SP2	S[6]	O	N[6]	3:2:4:1:	4:	3:4:	C[6a]-3:N[6]-2:C[6]-4:O-1:	S[6]-4:	C[6,6a]-3:S[6]-4:	S[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]C[6]HH)(O)	O(S[6]C[6a]C[6]N[6])	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6a]C[6]O)	S[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]C[6]HH)(O){1|N<3>,3|H<1>,4|C<3>}	O(S[6]C[6a]C[6]N[6])	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6a]C[6]O){1|C<4>,3|H<1>,4|C<3>}	120.4710	0.000	1	119.9531	1.809	7	119.9166	1.642	10	119.6260	1.542	13	111.0670	12.647	168	111.0670	12.647	168
961	863	914	0:SP3_SP2_SP2	S[6]	O	N[6]	3:2:4:1:	4:	4:3:	C[6,6a]-3:N[6]-2:C-4:O-1:	S[6]-4:	S[6]-4:C[6]-3:	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(CF3)(O)	O(S[6]C[6,6a]N[6]C)	N[6](S[6]C[6,6a]CO)(C[6]C[6a]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(CF3)(O){1|H<1>,4|C<3>}	O(S[6]C[6,6a]N[6]C)	N[6](S[6]C[6,6a]CO)(C[6]C[6a]C[6]){1|H<1>,4|C<3>}	118.7990	0.000	1	118.7990	0.000	1	118.7990	0.000	1	118.7990	0.000	1	111.0670	12.647	168	111.0670	12.647	168
961	863	914	0:SP3_SP2_SP2	S[6]	O	N[6]	3:3:2:1:	4:	4:3:	C[6,6a]-3:C[6a]-3:N[6]-2:O-1:	S[6]-4:	S[6]-4:C[5,6]-3:	S[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[5,6])(O)	O(S[6]C[6,6a]C[6a]N[6])	N[6](S[6]C[6,6a]C[6a]O)(C[5,6]C[5,6]C[5])	S[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[5,6])(O){1|C<4>,3|H<1>,5|C<3>}	O(S[6]C[6,6a]C[6a]N[6])	N[6](S[6]C[6,6a]C[6a]O)(C[5,6]C[5,6]C[5]){1|O<2>,2|C<4>,5|C<3>}	116.8570	0.000	1	116.8570	0.000	1	116.8570	0.000	1	116.8570	0.000	1	111.0670	12.647	168	111.0670	12.647	168
961	863	914	0:SP3_SP2_SP2	S[6]	O	N[6]	4:2:1:1:	4:	3:4:	C[6]-4:N[6]-2:O-1:O-1:	S[6]-4:	C[6]-3:S[6]-4:	S[6](C[6]C[6]CC)(N[6]C[6])(O)2	O(S[6]C[6]N[6]O)	N[6](C[6]C[6a]C[6])(S[6]C[6]OO)	S[6](C[6]C[6]CC)(N[6]C[6])(O)2{1|C<3>,1|C<4>,2|H<1>}	O(S[6]C[6]N[6]O)	N[6](C[6]C[6a]C[6])(S[6]C[6]OO){2|C<3>,2|H<1>,3|C<4>}	106.7580	0.788	2	106.7580	0.620	2	106.7580	0.620	2	106.7580	0.620	2	111.0670	12.647	168	111.0670	12.647	168
961	863	914	0:SP3_SP2_SP2	S[6]	O	N[6]	4:2:1:1:	4:	4:4:	C[6]-4:N[6]-2:O-1:O-1:	S[6]-4:	S[6]-4:S[6]-4:	S[6](C[6]C[6]FF)(N[6]S[6])(O)2	O(S[6]C[6]N[6]O)	N[6](S[6]C[6]OO)2	S[6](C[6]C[6]FF)(N[6]S[6])(O)2{1|C<4>,2|F<1>,2|O<1>}	O(S[6]C[6]N[6]O)	N[6](S[6]C[6]OO)2{1|C<4>,4|F<1>}	112.2155	5.103	8	112.2155	26.042	8	112.2155	26.042	8	112.2155	26.042	8	111.0670	12.647	168	111.0670	12.647	168
961	863	914	0:SP3_SP2_SP2	S[6]	O	N[6]	4:2:4:1:	4:	4:3:	C[6]-4:N[6]-2:C-4:O-1:	S[6]-4:	S[6]-4:C[6]-3:	S[6](C[6]C[6]HH)(N[6]C[6])(CH3)(O)	O(S[6]C[6]N[6]C)	N[6](S[6]C[6]CO)(C[6]C[6]O)	S[6](C[6]C[6]HH)(N[6]C[6])(CH3)(O){1|C<4>,1|O<1>,2|H<1>}	O(S[6]C[6]N[6]C)	N[6](S[6]C[6]CO)(C[6]C[6]O){1|C<4>,1|N<2>,3|H<1>}	113.8350	0.000	1	113.8350	0.000	1	113.8350	0.000	1	113.8350	0.000	1	111.0670	12.647	168	111.0670	12.647	168
961	863	941	0:SP3_SP2_SP2	S[6]	O	N	3:2:2:1:	4:	4:4:	C[6,6a]-3:O[6]-2:N-2:O-1:	S[6]-4:	S[6]-4:C-4:	S[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NC)(O)	O(S[6]C[6,6a]O[6]N)	N(S[6]C[6,6a]O[6]O)(CC3)	S[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NC)(O){2|C<3>,2|C<4>,2|H<1>}	O(S[6]C[6,6a]O[6]N)	N(S[6]C[6,6a]O[6]O)(CC3)	122.7930	0.000	1	122.7930	0.000	1	122.7930	0.000	1	122.7930	0.000	1	121.0650	5.972	2	121.0650	5.972	2
961	863	941	0:SP3_SP2_SP2	S[6]	O	N	4:4:2:1:	4:	4:4:	C[6]-4:C[6]-4:N-2:O-1:	S[6]-4:	S[6]-4:S-4:	S[6](C[6]C[6]HH)2(NS)(O)	O(S[6]C[6]2N)	N(S[6]C[6]2O)(SC[6a]OO)	S[6](C[6]C[6]HH)2(NS)(O){1|C<4>,4|H<1>}	O(S[6]C[6]2N)	N(S[6]C[6]2O)(SC[6a]OO)	119.3370	0.000	1	119.3370	0.000	1	119.3370	0.000	1	119.3370	0.000	1	121.0650	5.972	2	121.0650	5.972	2
961	914	914	6:SP3_SP2_SP2	S[6]	N[6]	N[6]	2:2:1:1:	4:3:	4:3:	N[6]-2:N[6]-2:Cl-1:O-1:	S[6]-4:C[6]-3:	S[6]-4:C[6]-3:	S[6](N[6]C[6])2(Cl)(O)	N[6](S[6]N[6]ClO)(C[6]N[6]Cl)	N[6](S[6]N[6]ClO)(C[6]N[6]Cl)	S[6](N[6]C[6])2(Cl)(O){2|Cl<1>,1|N<2>}	N[6](S[6]N[6]ClO)(C[6]N[6]Cl){1|C<3>}	N[6](S[6]N[6]ClO)(C[6]N[6]Cl){1|C<3>}	111.9227	0.251	4	111.9227	0.063	4	111.9227	0.063	4	111.9227	0.063	4	112.1273	1.702	6	112.1273	1.702	6
961	914	914	6:SP3_SP2_SP2	S[6]	N[6]	N[6]	3:2:2:1:	4:3:	4:3:	C[6a]-3:N[6]-2:N[6]-2:O-1:	S[6]-4:C[6]-3:	S[6]-4:C[6]-3:	S[6](C[6a]C[6a]2)(N[6]C[6])2(O)	N[6](S[6]C[6a]N[6]O)(C[6]C[6a]N[6])	N[6](S[6]C[6a]N[6]O)(C[6]C[6a]N[6])	S[6](C[6a]C[6a]2)(N[6]C[6])2(O){1|N<2>,2|H<1>,4|C<3>}	N[6](S[6]C[6a]N[6]O)(C[6]C[6a]N[6]){5|C<3>}	N[6](S[6]C[6a]N[6]O)(C[6]C[6a]N[6]){5|C<3>}	110.5590	0.000	1	110.5590	0.000	1	110.5590	0.000	1	110.5590	0.000	1	112.1273	1.702	6	112.1273	1.702	6
961	914	914	6:SP3_SP2_SP2	S[6]	N[6]	N[6]	3:2:2:1:	4:4:	4:4:	C[6a]-3:N[6]-2:N[6]-2:O-1:	S[6]-4:P[6]-4:	S[6]-4:P[6]-4:	S[6](C[6a]C[6a]2)(N[6]P[6])2(O)	N[6](S[6]C[6a]N[6]O)(P[6]N[6]OO)	N[6](S[6]C[6a]N[6]O)(P[6]N[6]OO)	S[6](C[6a]C[6a]2)(N[6]P[6])2(O){1|N<2>,2|C<3>,2|H<1>,4|O<2>}	N[6](S[6]C[6a]N[6]O)(P[6]N[6]OO){1|P<4>,2|C<3>}	N[6](S[6]C[6a]N[6]O)(P[6]N[6]OO){1|P<4>,2|C<3>}	114.5140	0.000	1	114.5140	0.000	1	114.5140	0.000	1	114.5140	0.000	1	112.1273	1.702	6	112.1273	1.702	6
962	26	26	3:SP3_SP1_SP1	O[3]	C[3]	C[3]	2:2:	2:2:	2:2:	C[3]-2:C[3]-2:	C[3]-2:O[3]-2:	C[3]-2:O[3]-2:	O[3](C[3]C[3])2	C[3](C[3]O[3])(O[3]C[3])	C[3](C[3]O[3])(O[3]C[3])	O[3](C[3]C[3])2	C[3](C[3]O[3])(O[3]C[3])	C[3](C[3]O[3])(O[3]C[3])	60.3022	0.000	1	60.3022	0.000	1	60.3022	0.000	1	60.3022	0.000	1	60.3022	0.000	1	60.3022	0.000	1
962	26	234	3:SP3_SP1_SP3	O[3]	C[3]	N[3]	4:2:	4:2:	2:2:2:1:	N[3]-4:C[3]-2:	N[3]-4:O[3]-2:	C[3]-2:O[3]-2:C-2:C-1:	O[3](N[3]C[3]CC)(C[3]N[3])	C[3](N[3]O[3]CC)(O[3]N[3])	N[3](C[3]O[3])(O[3]C[3])(CO)(C)	O[3](N[3]C[3]CC)(C[3]N[3])	C[3](N[3]O[3]CC)(O[3]N[3])	N[3](C[3]O[3])(O[3]C[3])(CO)(C)	69.5694	0.000	1	69.5694	0.000	1	69.5694	0.000	1	69.5694	0.000	1	69.5694	0.000	1	69.5694	0.000	1
962	26	902	3:SP2_SP1_SP2	O[3]	C[3]	C[3]	3:2:	3:2:	2:2:2:	C[3]-3:C[3]-2:	C[3]-3:O[3]-2:	C[3]-2:O[3]-2:O-2:	O[3](C[3]C[3]O)(C[3]C[3])	C[3](C[3]O[3]O)(O[3]C[3])	C[3](C[3]O[3])(O[3]C[3])(OC)	O[3](C[3]C[3]O)(C[3]C[3])	C[3](C[3]O[3]O)(O[3]C[3])	C[3](C[3]O[3])(O[3]C[3])(OC)	57.7467	0.000	1	57.7467	0.000	1	57.7467	0.000	1	57.7467	0.000	1	57.7467	0.000	1	57.7467	0.000	1
962	114	962	3:SP3_SP3_SPD8	O[3]	C[3,3]	O[3]	8:2:	2:2:2:2:1:1:1:1:	8:2:	C[3,3]-8:O[3]-2:	O[3]-2:O[3]-2:O[3]-2:O[3]-2:O-1:O-1:O-1:O-1:	C[3,3]-8:O[3]-2:	O[3](C[3,3]O[3]3O4)(O[3]C[3,3])	C[3,3](O[3]O[3])4(O)4	O[3](C[3,3]O[3]3O4)(O[3]C[3,3])	O[3](C[3,3]O[3]3O4)(O[3]C[3,3])	C[3,3](O[3]O[3])4(O)4	O[3](C[3,3]O[3]3O4)(O[3]C[3,3])	59.3571	0.000	1	59.3571	0.000	1	59.3571	0.000	1	59.3571	0.000	1	59.3571	0.000	1	59.3571	0.000	1
962	138	486	3:SP3_SP3_SP3	O[3]	N[3,5]	C[3,5]	4:3:	4:4:2:	3:3:3:2:	C[3,5]-4:N[3,5]-3:	C[3,5]-4:S[5]-4:O[3]-2:	C[5,6a]-3:N[3,5]-3:C[6a]-3:O[3]-2:	O[3](C[3,5]C[5,6a]N[3,5]C[6a])(N[3,5]C[3,5]S[5])	N[3,5](C[3,5]C[5,6a]C[6a]O[3])(S[5]C[5,6a]OO)(O[3]C[3,5])	C[3,5](C[5,6a]C[5,6a]C[6a])(N[3,5]O[3]S[5])(C[6a]C[6a]2)(O[3]N[3,5])	O[3](C[3,5]C[5,6a]N[3,5]C[6a])(N[3,5]C[3,5]S[5]){2|O<1>,4|C<3>}	N[3,5](C[3,5]C[5,6a]C[6a]O[3])(S[5]C[5,6a]OO)(O[3]C[3,5]){4|C<3>}	C[3,5](C[5,6a]C[5,6a]C[6a])(N[3,5]O[3]S[5])(C[6a]C[6a]2)(O[3]N[3,5]){2|H<1>,2|O<1>,5|C<3>}	59.7675	0.000	1	59.7675	0.000	1	59.7675	0.000	1	59.7675	0.000	1	59.7675	0.000	1	58.5391	0.407	11
962	138	486	3:SP3_SP3_SP3	O[3]	N[3,6]	C[3,6]	4:3:	4:4:2:	3:3:2:1:	C[3,6]-4:N[3,6]-3:	C[3,6]-4:C[6]-4:O[3]-2:	C[6,6a]-3:N[3,6]-3:O[3]-2:H-1:	O[3](C[3,6]C[6,6a]N[3,6]H)(N[3,6]C[3,6]C[6])	N[3,6](C[3,6]C[6,6a]O[3]H)(C[6]C[6]CH)(O[3]C[3,6])	C[3,6](C[6,6a]C[6,6a]C[6a])(N[3,6]C[6]O[3])(O[3]N[3,6])(H)	O[3](C[3,6]C[6,6a]N[3,6]H)(N[3,6]C[3,6]C[6]){1|H<1>,2|C<3>,2|C<4>}	N[3,6](C[3,6]C[6,6a]O[3]H)(C[6]C[6]CH)(O[3]C[3,6]){1|H<1>,3|C<3>}	C[3,6](C[6,6a]C[6,6a]C[6a])(N[3,6]C[6]O[3])(O[3]N[3,6])(H){2|C<3>,2|C<4>,2|H<1>}	58.7494	0.799	2	58.7494	0.639	2	58.7494	0.639	2	58.7494	0.639	2	58.7494	0.639	2	58.5391	0.407	11
962	138	486	3:SP3_SP3_SP3	O[3]	N[3]	C[3]	4:3:	4:2:4:	3:3:2:1:	C[3]-4:N[3]-3:	C[3]-4:O[3]-2:C-4:	C[6a]-3:N[3]-3:O[3]-2:H-1:	O[3](C[3]C[6a]N[3]H)(N[3]C[3]C)	N[3](C[3]C[6a]O[3]H)(O[3]C[3])(CH3)	C[3](C[6a]C[6a,6a]C[6a])(N[3]O[3]C)(O[3]N[3])(H)	O[3](C[3]C[6a]N[3]H)(N[3]C[3]C){2|C<3>}	N[3](C[3]C[6a]O[3]H)(O[3]C[3])(CH3){2|C<3>}	C[3](C[6a]C[6a,6a]C[6a])(N[3]O[3]C)(O[3]N[3])(H){1|H<1>,3|C<3>}	57.9462	0.210	4	57.9462	0.044	4	57.9462	0.044	4	57.9462	0.044	4	58.3330	0.213	8	58.5391	0.407	11
962	138	486	3:SP3_SP3_SP3	O[3]	N[3]	C[3]	4:3:	4:4:2:	3:2:4:4:	C[3]-4:N[3]-3:	C[3]-4:P-4:O[3]-2:	N[3]-3:O[3]-2:C-4:C-4:	O[3](C[3]N[3]CC)(N[3]C[3]P)	N[3](C[3]O[3]CC)(PC[6a]2O)(O[3]C[3])	C[3](N[3]O[3]P)(O[3]N[3])(CC3)(CH3)	O[3](C[3]N[3]CC)(N[3]C[3]P)	N[3](C[3]O[3]CC)(PC[6a]2O)(O[3]C[3])	C[3](N[3]O[3]P)(O[3]N[3])(CC3)(CH3)	58.7333	0.000	1	58.7333	0.000	1	58.7333	0.000	1	58.7333	0.000	1	58.3330	0.213	8	58.5391	0.407	11
962	138	486	3:SP3_SP3_SP3	O[3]	N[3]	C[3]	4:3:	4:4:2:	3:3:2:1:	C[3]-4:N[3]-3:	C[3]-4:C-4:O[3]-2:	C[6a]-3:N[3]-3:O[3]-2:H-1:	O[3](C[3]C[6a]N[3]H)(N[3]C[3]C)	N[3](C[3]C[6a]O[3]H)(CC[6a]CH)(O[3]C[3])	C[3](C[6a]C[6a]N[6a])(N[3]O[3]C)(O[3]N[3])(H)	O[3](C[3]C[6a]N[3]H)(N[3]C[3]C){1|C<3>,1|N<2>}	N[3](C[3]C[6a]O[3]H)(CC[6a]CH)(O[3]C[3]){1|C<3>,1|N<2>}	C[3](C[6a]C[6a]N[6a])(N[3]O[3]C)(O[3]N[3])(H){1|H<1>,2|C<3>}	58.8752	0.000	1	58.8752	0.000	1	58.8752	0.000	1	58.8752	0.000	1	58.3330	0.213	8	58.5391	0.407	11
962	138	486	3:SP3_SP3_SP3	O[3]	N[3]	C[3]	4:3:	4:4:2:	3:3:3:2:	C[3]-4:N[3]-3:	C[3]-4:C-4:O[3]-2:	C[6a]-3:C[6a]-3:N[3]-3:O[3]-2:	O[3](C[3]C[6a]2N[3])(N[3]C[3]C)	N[3](C[3]C[6a]2O[3])(CC[6a]CH)(O[3]C[3])	C[3](C[6a]C[6a]N[6a])2(N[3]O[3]C)(O[3]N[3])	O[3](C[3]C[6a]2N[3])(N[3]C[3]C){2|C<3>,2|N<2>}	N[3](C[3]C[6a]2O[3])(CC[6a]CH)(O[3]C[3]){2|C<3>,2|N<2>}	C[3](C[6a]C[6a]N[6a])2(N[3]O[3]C)(O[3]N[3]){2|H<1>,4|C<3>}	58.6354	0.354	2	58.6354	0.125	2	58.6354	0.125	2	58.6354	0.125	2	58.3330	0.213	8	58.5391	0.407	11
962	198	198	3:SP3_SPD5_SPD5	O[3]	Ga[3,3,6]	Ga[3,3,6]	5:5:	5:3:3:2:2:	5:3:3:2:2:	Ga[3,3,6]-5:Ga[3,3,6]-5:	Ga[3,3,6]-5:N[6]-3:N[6]-3:O[3]-2:O[3]-2:	Ga[3,3,6]-5:N[6]-3:N[6]-3:O[3]-2:O[3]-2:	O[3](Ga[3,3,6]Ga[3,3,6]N[6]2O[3])2	Ga[3,3,6](Ga[3,3,6]N[6]2O[3]2)(N[6]C[6a]C[6])2(O[3]Ga[3,3,6])2	Ga[3,3,6](Ga[3,3,6]N[6]2O[3]2)(N[6]C[6a]C[6])2(O[3]Ga[3,3,6])2	O[3](Ga[3,3,6]Ga[3,3,6]N[6]2O[3])2{8|C<3>}	Ga[3,3,6](Ga[3,3,6]N[6]2O[3]2)(N[6]C[6a]C[6])2(O[3]Ga[3,3,6])2{2|C<4>,9|C<3>}	Ga[3,3,6](Ga[3,3,6]N[6]2O[3]2)(N[6]C[6a]C[6])2(O[3]Ga[3,3,6])2{2|C<4>,9|C<3>}	89.1768	0.000	1	89.1768	0.000	1	89.1768	0.000	1	89.1768	0.000	1	89.1768	0.000	1	89.1768	0.000	1
962	234	234	3:SP3_SP3_SP3	O[3]	N[3,3]	N[3,3]	4:4:	4:3:2:1:	4:3:2:1:	N[3,3]-4:N[3,3]-4:	N[3,3]-4:O[3]-3:O[3]-2:O-1:	N[3,3]-4:O[3]-3:O[3]-2:O-1:	O[3](N[3,3]N[3,3]O[3]O)2	N[3,3](N[3,3]O[3]2O)(O[3]N[3,3]Mn)(O[3]N[3,3])(O)	N[3,3](N[3,3]O[3]2O)(O[3]N[3,3]Mn)(O[3]N[3,3])(O)	O[3](N[3,3]N[3,3]O[3]O)2{1|Mn<6>}	N[3,3](N[3,3]O[3]2O)(O[3]N[3,3]Mn)(O[3]N[3,3])(O)	N[3,3](N[3,3]O[3]2O)(O[3]N[3,3]Mn)(O[3]N[3,3])(O)	44.6173	0.000	1	44.6173	0.000	1	44.6173	0.000	1	44.6173	0.000	1	44.6173	0.000	1	44.6173	0.000	1
962	234	486	3:SP3_SP3_SP3	O[3]	N[3,6]	C[3,6]	4:4:	4:4:2:4:	3:4:2:1:	C[3,6]-4:N[3,6]-4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[6,6a]-3:N[3,6]-4:O[3]-2:H-1:	O[3](C[3,6]C[6,6a]N[3,6]H)(N[3,6]C[3,6]C[6]C)	N[3,6](C[3,6]C[6,6a]O[3]H)(C[6]C[6]CH)(O[3]C[3,6])(CH3)	C[3,6](C[6,6a]C[6,6a]C[6a])(N[3,6]C[6]O[3]C)(O[3]N[3,6])(H)	O[3](C[3,6]C[6,6a]N[3,6]H)(N[3,6]C[3,6]C[6]C){1|H<1>,2|C<3>,2|C<4>}	N[3,6](C[3,6]C[6,6a]O[3]H)(C[6]C[6]CH)(O[3]C[3,6])(CH3){1|H<1>,3|C<3>}	C[3,6](C[6,6a]C[6,6a]C[6a])(N[3,6]C[6]O[3]C)(O[3]N[3,6])(H){2|C<3>,2|C<4>,2|H<1>}	59.3431	0.000	1	59.3431	0.000	1	59.3431	0.000	1	59.3431	0.000	1	59.3431	0.000	1	59.9239	0.298	3
962	234	486	3:SP3_SP3_SP3	O[3]	N[3]	C[3]	4:4:	4:4:2:1:	3:4:2:1:	C[3]-4:N[3]-4:	C[3]-4:S-4:O[3]-2:H-1:	C[6a]-3:N[3]-4:O[3]-2:H-1:	O[3](C[3]C[6a]N[3]H)(N[3]C[3]HS)	N[3](C[3]C[6a]O[3]H)(SC[6a]OO)(O[3]C[3])(H)	C[3](C[6a]C[6a]2)(N[3]O[3]HS)(O[3]N[3])(H)	O[3](C[3]C[6a]N[3]H)(N[3]C[3]HS){2|C<3>}	N[3](C[3]C[6a]O[3]H)(SC[6a]OO)(O[3]C[3])(H){2|C<3>}	C[3](C[6a]C[6a]2)(N[3]O[3]HS)(O[3]N[3])(H){1|Cl<1>,1|H<1>,2|C<3>}	60.2142	0.299	2	60.2142	0.089	2	60.2142	0.089	2	60.2142	0.089	2	60.2142	0.089	2	59.9239	0.298	3
962	234	881	3:SP3_SP3_SPD5	O[3]	N[3]	Si[3]	5:4:	5:2:4:4:	4:2:1:1:1:	Si[3]-5:N[3]-4:	Si[3]-5:O[3]-2:C-4:C-4:	N[3]-4:O[3]-2:F-1:F-1:F-1:	O[3](Si[3]N[3]F3)(N[3]Si[3]CC)	N[3](Si[3]O[3]F3)(O[3]Si[3])(CH3)2	Si[3](N[3]O[3]CC)(O[3]N[3])(F)3	O[3](Si[3]N[3]F3)(N[3]Si[3]CC)	N[3](Si[3]O[3]F3)(O[3]Si[3])(CH3)2	Si[3](N[3]O[3]CC)(O[3]N[3])(F)3	77.0938	0.000	1	77.0938	0.000	1	77.0938	0.000	1	77.0938	0.000	1	77.0938	0.000	1	77.0938	0.000	1
962	234	962	3:SP3_SP3_SP3	O[3]	N[3,6,6]	O[3]	4:2:	4:4:2:2:	4:2:	N[3,6,6]-4:O[3]-2:	C[3x6]-4:C[3x6]-4:O[3]-2:O[3]-2:	N[3,6,6]-4:O[3]-2:	O[3](N[3,6,6]C[3x6]2O[3])(O[3]N[3,6,6])	N[3,6,6](C[3x6]C[6,6]2C)2(O[3]O[3])2	O[3](N[3,6,6]C[3x6]2O[3])(O[3]N[3,6,6])	O[3](N[3,6,6]C[3x6]2O[3])(O[3]N[3,6,6]){6|C<4>}	N[3,6,6](C[3x6]C[6,6]2C)2(O[3]O[3])2{2|C<4>,8|H<1>}	O[3](N[3,6,6]C[3x6]2O[3])(O[3]N[3,6,6]){6|C<4>}	68.8439	3.909	2	68.8439	15.280	2	68.8439	15.280	2	68.8439	15.280	2	68.8439	15.280	2	67.4662	13.334	3
962	234	962	3:SP3_SP3_SP3	O[3]	N[3]	O[3]	4:2:	2:2:2:2:	4:2:	N[3]-4:O[3]-2:	O[3]-2:O[3]-2:O-2:O-2:	N[3]-4:O[3]-2:	O[3](N[3]O[3]OO)(O[3]N[3])	N[3](O[3]O[3])2(ONi)2	O[3](N[3]O[3]OO)(O[3]N[3])	O[3](N[3]O[3]OO)(O[3]N[3])	N[3](O[3]O[3])2(ONi)2	O[3](N[3]O[3]OO)(O[3]N[3])	64.7108	0.000	1	64.7108	0.000	1	64.7108	0.000	1	64.7108	0.000	1	64.7108	0.000	1	67.4662	13.334	3
962	302	962	3:SP3_SP3_SPD5	O[3]	Cl[3]	O[3]	5:2:	2:2:1:1:1:	5:2:	Cl[3]-5:O[3]-2:	O[3]-2:O[3]-2:O-1:O-1:O-1:	Cl[3]-5:O[3]-2:	O[3](Cl[3]O[3]O3)(O[3]Cl[3])	Cl[3](O[3]O[3])2(O)3	O[3](Cl[3]O[3]O3)(O[3]Cl[3])	O[3](Cl[3]O[3]O3)(O[3]Cl[3])	Cl[3](O[3]O[3])2(O)3	O[3](Cl[3]O[3]O3)(O[3]Cl[3])	55.6030	1.669	2	55.6030	2.784	2	55.6030	2.784	2	55.6030	2.784	2	55.6030	2.784	2	55.6030	2.784	2
962	366	968	0:SP3_SP-NON_SPD5	O[3]	P[3]	H[3]	5:2:	4:2:2:1:1:	5:2:	P[3]-5:H[3]-2:	C[5]-4:H[3]-2:O[3]-2:O-1:O-1:	P[3]-5:O[3]-2:	O[3](P[3]C[5]H[3]OO)(H[3]P[3])	P[3](C[5]C[5]O[5]C)(H[3]O[3])(O[3]H[3])(O)2	H[3](P[3]C[5]O[3]OO)(O[3]P[3])	O[3](P[3]C[5]H[3]OO)(H[3]P[3]){1|C<3>,1|C<4>,1|O<2>}	P[3](C[5]C[5]O[5]C)(H[3]O[3])(O[3]H[3])(O)2{1|B<4>,1|O<1>,1|O<2>}	H[3](P[3]C[5]O[3]OO)(O[3]P[3])	75.1312	0.000	1	75.1312	0.000	1	75.1312	0.000	1	75.1312	0.000	1	75.1312	0.000	1	75.1312	0.000	1
962	374	778	3:SP3_SP3_SPD5	O[3]	O[3,3]	C[3,3,6]	5:3:	5:3:2:	3:3:4:2:2:	C[3,3,6]-5:O[3,3]-3:	C[3,3,6]-5:O[3,6]-3:O[3]-2:	O[3,3]-3:O[3,6]-3:C[5]-4:O[3]-2:O[6]-2:	O[3](C[3,3,6]O[3,3]O[3,6]C[5]O[6])(O[3,3]C[3,3,6]O[3,6])	O[3,3](C[3,3,6]O[3,6]C[5]O[3]O[6])(O[3,6]C[3,3,6]C[6])(O[3]C[3,3,6])	C[3,3,6](O[3,3]O[3,6]O[3])(O[3,6]O[3,3]C[6])(C[5]C[5]N[5]C)(O[3]O[3,3])(O[6]C[6])	O[3](C[3,3,6]O[3,3]O[3,6]C[5]O[6])(O[3,3]C[3,3,6]O[3,6]){1|N<3>,2|C<2>,2|C<4>}	O[3,3](C[3,3,6]O[3,6]C[5]O[3]O[6])(O[3,6]C[3,3,6]C[6])(O[3]C[3,3,6]){1|N<3>,2|C<2>,2|C<4>}	C[3,3,6](O[3,3]O[3,6]O[3])(O[3,6]O[3,3]C[6])(C[5]C[5]N[5]C)(O[3]O[3,3])(O[6]C[6]){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	51.4856	0.000	2	51.4856	0.000	2	51.4856	0.000	2	51.4856	0.000	2	51.4856	0.000	2	51.4856	0.000	2
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,3]	C[3,4]	4:4:	4:4:4:2:	4:4:4:2:	C[3,3]-4:C[3,4]-4:	C[3,4]-4:C[3]-4:C[3]-4:O[3]-2:	C[3,3]-4:C[4]-4:C[4]-4:O[3]-2:	O[3](C[3,3]C[3,4]C[3]2)(C[3,4]C[3,3]C[4]2)	C[3,3](C[3,4]C[4]2O[3])(C[3]C[3]HH)2(O[3]C[3,4])	C[3,4](C[3,3]C[3]2O[3])(C[4]N[4]HH)2(O[3]C[3,3])	O[3](C[3,3]C[3,4]C[3]2)(C[3,4]C[3,3]C[4]2){1|N<3>,8|H<1>}	C[3,3](C[3,4]C[4]2O[3])(C[3]C[3]HH)2(O[3]C[3,4]){1|N<3>,4|H<1>}	C[3,4](C[3,3]C[3]2O[3])(C[4]N[4]HH)2(O[3]C[3,3]){1|C<4>,4|H<1>}	59.5283	0.000	1	59.5283	0.000	1	59.5283	0.000	1	59.5283	0.000	1	59.5283	0.000	1	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,3x6]	C[3,6,6]	4:4:	4:4:3:2:	4:4:2:1:	C[3,3x6]-4:C[3,6,6]-4:	C[5,4x6]-4:C[3,6,6]-4:C[6]-3:O[3]-2:	C[3,3x6]-4:C[3x6]-4:O[3]-2:H-1:	O[3](C[3,3x6]C[3,6,6]C[5,4x6]C[6])(C[3,6,6]C[3,3x6]C[3x6]H)	C[3,3x6](C[5,4x6]C[5,6,6]2O[6])(C[3,6,6]C[3x6]O[3]H)(C[6]C[6,6a]O)(O[3]C[3,6,6])	C[3,6,6](C[3,3x6]C[5,4x6]C[6]O[3])(C[3x6]C[6,6]2H)(O[3]C[3,3x6])(H)	O[3](C[3,3x6]C[3,6,6]C[5,4x6]C[6])(C[3,6,6]C[3,3x6]C[3x6]H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[3,3x6](C[5,4x6]C[5,6,6]2O[6])(C[3,6,6]C[3x6]O[3]H)(C[6]C[6,6a]O)(O[3]C[3,6,6]){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[3,6,6](C[3,3x6]C[5,4x6]C[6]O[3])(C[3x6]C[6,6]2H)(O[3]C[3,3x6])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>,2|O<1>}	60.8111	0.379	2	60.8111	0.143	2	60.8111	0.143	2	60.8111	0.143	2	60.8111	0.143	2	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,3x6]	C[3,6]	4:4:	4:4:4:2:	4:3:2:1:	C[3,3x6]-4:C[3,6]-4:	C[5,4x6]-4:C[3,6]-4:C[6,6]-4:O[3]-2:	C[3,3x6]-4:C[6,6a]-3:O[3]-2:H-1:	O[3](C[3,3x6]C[5,4x6]C[3,6]C[6,6])(C[3,6]C[3,3x6]C[6,6a]H)	C[3,3x6](C[5,4x6]N[5,6,6]C[6,6]N[5,6])(C[3,6]C[6,6a]O[3]H)(C[6,6]C[3x6]HH)(O[3]C[3,6])	C[3,6](C[3,3x6]C[5,4x6]C[6,6]O[3])(C[6,6a]C[6,6a]C[6a])(O[3]C[3,3x6])(H)	O[3](C[3,3x6]C[5,4x6]C[3,6]C[6,6])(C[3,6]C[3,3x6]C[6,6a]H){1|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[3,3x6](C[5,4x6]N[5,6,6]C[6,6]N[5,6])(C[3,6]C[6,6a]O[3]H)(C[6,6]C[3x6]HH)(O[3]C[3,6]){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[3,6](C[3,3x6]C[5,4x6]C[6,6]O[3])(C[6,6a]C[6,6a]C[6a])(O[3]C[3,3x6])(H){1|C<4>,2|N<3>,3|C<3>,3|H<1>}	60.5229	0.000	1	60.5229	0.000	1	60.5229	0.000	1	60.5229	0.000	1	60.5229	0.000	1	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,4,6]	C[3,6]	4:4:	4:4:4:2:	4:2:4:1:	C[3,4,6]-4:C[3,6]-4:	C[4,6]-4:C[4,6]-4:C[3,6]-4:O[3]-2:	C[3,4,6]-4:O[3]-2:C[6]-4:H-1:	O[3](C[3,4,6]C[3,6]C[4,6]2)(C[3,6]C[3,4,6]C[6]H)	C[3,4,6](C[4,6]C[4,6]C[6]H)(C[4,6]C[4,6]O[6]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])	C[3,6](C[3,4,6]C[4,6]2O[3])(O[3]C[3,4,6])(C[6]C[6]HH)(H)	O[3](C[3,4,6]C[3,6]C[4,6]2)(C[3,6]C[3,4,6]C[6]H){1|O<2>,3|C<4>,4|H<1>}	C[3,4,6](C[4,6]C[4,6]C[6]H)(C[4,6]C[4,6]O[6]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6]){1|O<2>,3|C<4>,4|H<1>}	C[3,6](C[3,4,6]C[4,6]2O[3])(O[3]C[3,4,6])(C[6]C[6]HH)(H){1|O<2>,2|C<4>,4|H<1>}	60.4585	0.000	1	60.4585	0.000	1	60.4585	0.000	1	60.4585	0.000	1	60.4585	0.000	1	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,4]	C[3,4]	4:4:	4:4:2:1:	4:4:2:1:	C[3,4]-4:C[3,4]-4:	C[4,4,5]-4:C[3,4]-4:O[3]-2:H-1:	C[3,4]-4:C[4,4]-4:O[3]-2:H-1:	O[3](C[3,4]C[4,4,5]C[3,4]H)(C[3,4]C[3,4]C[4,4]H)	C[3,4](C[4,4,5]C[4,4]C[4,5]C[5])(C[3,4]C[4,4]O[3]H)(O[3]C[3,4])(H)	C[3,4](C[3,4]C[4,4,5]O[3]H)(C[4,4]C[4,4,5]C[4]H)(O[3]C[3,4])(H)	O[3](C[3,4]C[4,4,5]C[3,4]H)(C[3,4]C[3,4]C[4,4]H){1|H<1>,3|C<4>}	C[3,4](C[4,4,5]C[4,4]C[4,5]C[5])(C[3,4]C[4,4]O[3]H)(O[3]C[3,4])(H){1|O<2>,2|C<4>,4|H<1>}	C[3,4](C[3,4]C[4,4,5]O[3]H)(C[4,4]C[4,4,5]C[4]H)(O[3]C[3,4])(H){1|C<3>,1|H<1>,2|C<4>}	61.4654	0.000	1	61.4654	0.000	1	61.4654	0.000	1	61.4654	0.000	1	61.4654	0.000	1	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,4]	C[3]	4:4:	4:4:3:2:	4:2:3:1:	C[3,4]-4:C[3]-4:	C[4]-4:C[3]-4:C[4]-3:O[3]-2:	C[3,4]-4:O[3]-2:N-3:H-1:	O[3](C[3,4]C[3]C[4]2)(C[3]C[3,4]HN)	C[3,4](C[4]C[5]N[4]H)(C[3]O[3]HN)(C[4]N[4]O)(O[3]C[3])	C[3](C[3,4]C[4]2O[3])(O[3]C[3,4])(NOO)(H)	O[3](C[3,4]C[3]C[4]2)(C[3]C[3,4]HN){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[3,4](C[4]C[5]N[4]H)(C[3]O[3]HN)(C[4]N[4]O)(O[3]C[3]){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[3](C[3,4]C[4]2O[3])(O[3]C[3,4])(NOO)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	62.0629	0.000	1	62.0629	0.000	1	62.0629	0.000	1	62.0629	0.000	1	62.0629	0.000	1	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5,5]	C[3,5]	4:4:	4:4:2:3:	4:4:2:1:	C[3,5,5]-4:C[3,5]-4:	C[5,5,6]-4:C[3,5]-4:O[3]-2:C[5]-3:	C[3,5,5]-4:C[5]-4:O[3]-2:H-1:	O[3](C[3,5,5]C[5,5,6]C[3,5]C[5])(C[3,5]C[3,5,5]C[5]H)	C[3,5,5](C[5,5,6]C[5,6]2C)(C[3,5]C[5]O[3]H)(O[3]C[3,5])(C[5]O[5]O)	C[3,5](C[3,5,5]C[5,5,6]C[5]O[3])(C[5]C[5,6]HH)(O[3]C[3,5,5])(H)	O[3](C[3,5,5]C[5,5,6]C[3,5]C[5])(C[3,5]C[3,5,5]C[5]H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[3,5,5](C[5,5,6]C[5,6]2C)(C[3,5]C[5]O[3]H)(O[3]C[3,5])(C[5]O[5]O){1|O<2>,2|C<4>,3|H<1>}	C[3,5](C[3,5,5]C[5,5,6]C[5]O[3])(C[5]C[5,6]HH)(O[3]C[3,5,5])(H){1|O<1>,2|O<2>,3|C<4>}	61.8646	0.319	2	61.8646	0.102	2	61.8646	0.102	2	61.8646	0.102	2	61.8646	0.102	2	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5,6,6]	C[3,3x6]	4:4:	4:3:4:2:	4:4:4:2:	C[3,5,6,6]-4:C[3,3x6]-4:	C[5,6,6]-4:C[5,6,6a]-3:C[3,3x6]-4:O[3]-2:	C[3,5,6,6]-4:C[3x6]-4:C[6,6]-4:O[3]-2:	O[3](C[3,5,6,6]C[5,6,6a]C[3,3x6]C[5,6,6])(C[3,3x6]C[3,5,6,6]C[3x6]C[6,6])	C[3,5,6,6](C[5,6,6]C[3,5,6,6]C[5,6,6a]O)(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3,3x6]C[3x6]C[6,6]O[3])(O[3]C[3,3x6])	C[3,3x6](C[3,5,6,6]C[5,6,6a]C[5,6,6]O[3])(C[3x6]C[3,5,6,6]C[3x6]N)(C[6,6]C[5,6]O[6]O)(O[3]C[3,5,6,6])	O[3](C[3,5,6,6]C[5,6,6a]C[3,3x6]C[5,6,6])(C[3,3x6]C[3,5,6,6]C[3x6]C[6,6]){1|N<4>,3|C<4>,3|O<2>,4|C<3>}	C[3,5,6,6](C[5,6,6]C[3,5,6,6]C[5,6,6a]O)(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3,3x6]C[3x6]C[6,6]O[3])(O[3]C[3,3x6]){1|N<4>,2|C<4>,3|O<2>,5|C<3>}	C[3,3x6](C[3,5,6,6]C[5,6,6a]C[5,6,6]O[3])(C[3x6]C[3,5,6,6]C[3x6]N)(C[6,6]C[5,6]O[6]O)(O[3]C[3,5,6,6]){2|C<4>,3|O<2>,6|C<3>}	63.4054	0.000	1	63.4054	0.000	1	63.4054	0.000	1	63.4054	0.000	1	63.4054	0.000	1	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5,6,6]	C[3,5,6,6]	4:4:	3:3:4:2:	4:3:3:2:	C[3,5,6,6]-4:C[3,5,6,6]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5,6,6]-4:O[3]-2:	C[3,5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:O[3]-2:	O[3](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)(C[3,5,6,6]C[3,5,6,6]C[5,6,6]2)	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6]2O[3])(O[3]C[3,5,6,6])	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]2O[3])(C[5,6,6]C[5,6,6]2)2(O[3]C[3,5,6,6])	O[3](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)(C[3,5,6,6]C[3,5,6,6]C[5,6,6]2){2|C<4>,6|C<3>}	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6]2O[3])(O[3]C[3,5,6,6]){2|C<4>,6|C<3>}	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]2O[3])(C[5,6,6]C[5,6,6]2)2(O[3]C[3,5,6,6]){1|N<3>,2|C<4>,7|C<3>}	62.2450	0.000	1	62.2450	0.000	1	62.2450	0.000	1	62.2450	0.000	1	62.3242	0.009	3	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5,6,6]	C[3,5,6,6]	4:4:	4:4:3:2:	4:3:4:2:	C[3,5,6,6]-4:C[3,5,6,6]-4:	C[3,5,6,6]-4:C[5,6,6]-4:C[5,6,6a]-3:O[3]-2:	C[3,5,6,6]-4:C[5,6,6a]-3:C[3x6]-4:O[3]-2:	O[3](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[5,6,6])(C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3x6])	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]C[3x6]O[3])(C[5,6,6]C[3,5,6,6]C[5,6,6a]O)(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(O[3]C[3,5,6,6])	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]C[5,6,6]O[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3x6]C[3,3x6]C[3x6]N)(O[3]C[3,5,6,6])	O[3](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[5,6,6])(C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3x6]){1|N<4>,1|O<2>,2|C<4>,5|C<3>}	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]C[3x6]O[3])(C[5,6,6]C[3,5,6,6]C[5,6,6a]O)(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(O[3]C[3,5,6,6]){1|C<4>,1|N<4>,1|O<2>,7|C<3>}	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]C[5,6,6]O[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3x6]C[3,3x6]C[3x6]N)(O[3]C[3,5,6,6]){2|O<2>,3|C<4>,5|C<3>}	62.4322	0.000	1	62.4322	0.000	1	62.4322	0.000	1	62.4322	0.000	1	62.3242	0.009	3	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5,6,6]	C[3,5,6,6]	4:4:	4:4:4:2:	4:4:3:2:	C[3,5,6,6]-4:C[3,5,6,6]-4:	C[3,5,6,6]-4:C[5,6,6]-4:C[5,6,6]-4:O[3]-2:	C[3,5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:O[3]-2:	O[3](C[3,5,6,6]C[3,5,6,6]C[5,6,6]2)2	C[3,5,6,6](C[3,5,6,6]C[5,6,6]2O[3])(C[5,6,6]C[5,6,6a]2O)(C[5,6,6]C[5,6,6]2O)(O[3]C[3,5,6,6])	C[3,5,6,6](C[3,5,6,6]C[5,6,6]2O[3])(C[5,6,6]C[5,6,6a]2O)(C[5,6,6]C[5,6,6]2)(O[3]C[3,5,6,6])	O[3](C[3,5,6,6]C[3,5,6,6]C[5,6,6]2)2{2|C<4>,3|O<2>,5|C<3>}	C[3,5,6,6](C[3,5,6,6]C[5,6,6]2O[3])(C[5,6,6]C[5,6,6a]2O)(C[5,6,6]C[5,6,6]2O)(O[3]C[3,5,6,6]){2|C<4>,2|O<2>,6|C<3>}	C[3,5,6,6](C[3,5,6,6]C[5,6,6]2O[3])(C[5,6,6]C[5,6,6a]2O)(C[5,6,6]C[5,6,6]2)(O[3]C[3,5,6,6]){2|C<4>,3|O<2>,6|C<3>}	62.2955	0.000	1	62.2955	0.000	1	62.2955	0.000	1	62.2955	0.000	1	62.3242	0.009	3	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5,6,6]	C[3,6]	4:4:	4:4:4:2:	4:2:4:1:	C[3,5,6,6]-4:C[3,6]-4:	C[5,6,6]-4:C[5,5,6]-4:C[3,6]-4:O[3]-2:	C[3,5,6,6]-4:O[3]-2:C[6]-4:H-1:	O[3](C[3,5,6,6]C[5,5,6]C[5,6,6]C[3,6])(C[3,6]C[3,5,6,6]C[6]H)	C[3,5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,5,6]C[5,6]C[5]2)(C[3,6]C[6]O[3]H)(O[3]C[3,6])	C[3,6](C[3,5,6,6]C[5,5,6]C[5,6,6]O[3])(O[3]C[3,5,6,6])(C[6]C[6,6]HH)(H)	O[3](C[3,5,6,6]C[5,5,6]C[5,6,6]C[3,6])(C[3,6]C[3,5,6,6]C[6]H){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	C[3,5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,5,6]C[5,6]C[5]2)(C[3,6]C[6]O[3]H)(O[3]C[3,6]){1|O<1>,6|H<1>,7|C<4>}	C[3,6](C[3,5,6,6]C[5,5,6]C[5,6,6]O[3])(O[3]C[3,5,6,6])(C[6]C[6,6]HH)(H){1|C<3>,1|H<1>,1|O<2>,5|C<4>}	60.6384	0.262	3	60.6384	0.069	3	60.6384	0.069	3	60.6384	0.069	3	60.6384	0.069	3	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5,6]	C[3,5,6]	4:4:	4:2:4:4:	4:2:4:4:	C[3,5,6]-4:C[3,5,6]-4:	C[3,5,6]-4:O[3]-2:C[5]-4:C[6]-4:	C[3,5,6]-4:O[3]-2:C[5]-4:C[6]-4:	O[3](C[3,5,6]C[3,5,6]C[5]C[6])2	C[3,5,6](C[3,5,6]C[5]C[6]O[3])(O[3]C[3,5,6])(C[5]C[5]HH)(C[6]C[6]HH)	C[3,5,6](C[3,5,6]C[5]C[6]O[3])(O[3]C[3,5,6])(C[5]C[5]HO)(C[6]C[6]HH)	O[3](C[3,5,6]C[3,5,6]C[5]C[6])2{1|C<4>,1|O<2>,2|C<3>,7|H<1>}	C[3,5,6](C[3,5,6]C[5]C[6]O[3])(O[3]C[3,5,6])(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|O<2>,6|H<1>}	C[3,5,6](C[3,5,6]C[5]C[6]O[3])(O[3]C[3,5,6])(C[5]C[5]HO)(C[6]C[6]HH){1|C<3>,7|H<1>}	60.5786	0.000	1	60.5786	0.000	1	60.5786	0.000	1	60.5786	0.000	1	60.6663	0.318	18	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5,6]	C[3,5,6]	4:4:	4:3:3:2:	4:4:3:2:	C[3,5,6]-4:C[3,5,6]-4:	C[3,5,6]-4:C[6,6a]-3:C[5,6]-3:O[3]-2:	C[3,5,6]-4:C[5,6]-4:C[6]-3:O[3]-2:	O[3](C[3,5,6]C[3,5,6]C[6,6a]C[5,6])(C[3,5,6]C[3,5,6]C[5,6]C[6])	C[3,5,6](C[3,5,6]C[5,6]C[6]O[3])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(O[3]C[3,5,6])	C[3,5,6](C[3,5,6]C[6,6a]C[5,6]O[3])(C[5,6]C[5]C[6]C)(C[6]C[6,6a]O)(O[3]C[3,5,6])	O[3](C[3,5,6]C[3,5,6]C[6,6a]C[5,6])(C[3,5,6]C[3,5,6]C[5,6]C[6]){1|O<1>,2|C<4>,5|C<3>}	C[3,5,6](C[3,5,6]C[5,6]C[6]O[3])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(O[3]C[3,5,6]){1|Br<1>,1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[3,5,6](C[3,5,6]C[6,6a]C[5,6]O[3])(C[5,6]C[5]C[6]C)(C[6]C[6,6a]O)(O[3]C[3,5,6]){1|O<1>,2|H<1>,5|C<3>}	61.3938	0.000	1	61.3938	0.000	1	61.3938	0.000	1	61.3938	0.000	1	60.6663	0.318	18	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5,6]	C[3,5,6]	4:4:	4:4:2:1:	4:4:2:1:	C[3,5,6]-4:C[3,5,6]-4:	C[3,5,6]-4:C[5,5,6]-4:O[3]-2:H-1:	C[3,5,6]-4:C[5,5,6]-4:O[3]-2:H-1:	O[3](C[3,5,6]C[3,5,6]C[5,5,6]H)2	C[3,5,6](C[3,5,6]C[5,5,6]O[3]H)(C[5,5,6]C[5,5]C[5,6]H)(O[3]C[3,5,6])(H)	C[3,5,6](C[3,5,6]C[5,5,6]O[3]H)(C[5,5,6]C[5,5]N[5,6]H)(O[3]C[3,5,6])(H)	O[3](C[3,5,6]C[3,5,6]C[5,5,6]H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[3,5,6](C[3,5,6]C[5,5,6]O[3]H)(C[5,5,6]C[5,5]C[5,6]H)(O[3]C[3,5,6])(H){1|N<3>,1|O<1>,3|H<1>}	C[3,5,6](C[3,5,6]C[5,5,6]O[3]H)(C[5,5,6]C[5,5]N[5,6]H)(O[3]C[3,5,6])(H){2|C<3>,3|H<1>}	60.2819	0.000	1	60.2819	0.000	1	60.2819	0.000	1	60.3221	0.034	6	60.6663	0.318	18	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5,6]	C[3,5,6]	4:4:	4:4:2:1:	4:4:2:1:	C[3,5,6]-4:C[3,5,6]-4:	C[3x5,6]-4:C[3,5,6]-4:O[3]-2:H-1:	C[3,5,6]-4:C[5,5,6]-4:O[3]-2:H-1:	O[3](C[3,5,6]C[3,5,6]C[3x5,6]H)(C[3,5,6]C[3,5,6]C[5,5,6]H)	C[3,5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[3,5,6]C[5,5,6]O[3]H)(O[3]C[3,5,6])(H)	C[3,5,6](C[3,5,6]C[3x5,6]O[3]H)(C[5,5,6]C[5,6]O[5,5]H)(O[3]C[3,5,6])(H)	O[3](C[3,5,6]C[3,5,6]C[3x5,6]H)(C[3,5,6]C[3,5,6]C[5,5,6]H){1|H<1>,1|O<2>,3|C<4>}	C[3,5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[3,5,6]C[5,5,6]O[3]H)(O[3]C[3,5,6])(H){1|Br<1>,1|O<2>,2|C<4>,3|H<1>}	C[3,5,6](C[3,5,6]C[3x5,6]O[3]H)(C[5,5,6]C[5,6]O[5,5]H)(O[3]C[3,5,6])(H){2|C<4>,2|H<1>}	60.3395	0.000	1	60.3597	0.001	2	60.3597	0.001	2	60.3221	0.034	6	60.6663	0.318	18	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5,6]	C[3,5,6]	4:4:	4:4:2:1:	4:4:2:1:	C[3,5,6]-4:C[3,5,6]-4:	C[3x5,6]-4:C[3,5,6]-4:O[3]-2:H-1:	C[3,5,6]-4:C[5,5,6]-4:O[3]-2:H-1:	O[3](C[3,5,6]C[3,5,6]C[3x5,6]H)(C[3,5,6]C[3,5,6]C[5,5,6]H)	C[3,5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[3,5,6]C[5,5,6]O[3]H)(O[3]C[3,5,6])(H)	C[3,5,6](C[3,5,6]C[3x5,6]O[3]H)(C[5,5,6]C[5,6]O[5,5]H)(O[3]C[3,5,6])(H)	O[3](C[3,5,6]C[3,5,6]C[3x5,6]H)(C[3,5,6]C[3,5,6]C[5,5,6]H){1|H<1>,1|O<2>,3|C<4>}	C[3,5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[3,5,6]C[5,5,6]O[3]H)(O[3]C[3,5,6])(H){1|Cl<1>,1|N<3>,2|C<4>,3|H<1>}	C[3,5,6](C[3,5,6]C[3x5,6]O[3]H)(C[5,5,6]C[5,6]O[5,5]H)(O[3]C[3,5,6])(H){2|C<4>,2|H<1>}	60.3799	0.000	1	60.3597	0.001	2	60.3597	0.001	2	60.3221	0.034	6	60.6663	0.318	18	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5,6]	C[3,5,6]	4:4:	4:4:2:1:	4:4:2:1:	C[3,5,6]-4:C[3,5,6]-4:	C[5,5,6,6]-4:C[3,5,6]-4:O[3]-2:H-1:	C[3,5,6]-4:C[5,5,6]-4:O[3]-2:H-1:	O[3](C[3,5,6]C[5,5,6,6]C[3,5,6]H)(C[3,5,6]C[3,5,6]C[5,5,6]H)	C[3,5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[3,5,6]C[5,5,6]O[3]H)(O[3]C[3,5,6])(H)	C[3,5,6](C[3,5,6]C[5,5,6,6]O[3]H)(C[5,5,6]C[5,6]O[5,5]H)(O[3]C[3,5,6])(H)	O[3](C[3,5,6]C[5,5,6,6]C[3,5,6]H)(C[3,5,6]C[3,5,6]C[5,5,6]H){1|H<1>,1|O<2>,3|C<4>}	C[3,5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[3,5,6]C[5,5,6]O[3]H)(O[3]C[3,5,6])(H){1|O<2>,3|C<4>,3|H<1>}	C[3,5,6](C[3,5,6]C[5,5,6,6]O[3]H)(C[5,5,6]C[5,6]O[5,5]H)(O[3]C[3,5,6])(H){2|C<4>,2|H<1>}	60.4658	0.142	2	60.4658	0.020	2	60.4658	0.020	2	60.3221	0.034	6	60.6663	0.318	18	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5,6]	C[3,5,6]	4:4:	4:4:2:1:	4:4:2:1:	C[3,5,6]-4:C[3,5,6]-4:	C[5,5,6]-4:C[3,5,6]-4:O[3]-2:H-1:	C[5,5,6]-4:C[3,5,6]-4:O[3]-2:H-1:	O[3](C[3,5,6]C[3,5,6]C[5,5,6]H)2	C[3,5,6](C[5,5,6]C[5,6,6a]N[5,5]C)(C[3,5,6]C[5,5,6]O[3]H)(O[3]C[3,5,6])(H)	C[3,5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[3,5,6]C[5,5,6]O[3]H)(O[3]C[3,5,6])(H)	O[3](C[3,5,6]C[3,5,6]C[5,5,6]H)2{1|H<1>,1|N<3>,3|C<3>}	C[3,5,6](C[5,5,6]C[5,6,6a]N[5,5]C)(C[3,5,6]C[5,5,6]O[3]H)(O[3]C[3,5,6])(H){1|H<1>,3|C<3>}	C[3,5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[3,5,6]C[5,5,6]O[3]H)(O[3]C[3,5,6])(H){4|C<3>}	59.9998	0.000	1	59.9998	0.000	1	59.9998	0.000	1	60.3221	0.034	6	60.6663	0.318	18	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5,6]	C[3,5,6]	4:4:	4:4:2:4:	4:4:2:4:	C[3,5,6]-4:C[3,5,6]-4:	C[3,5,6]-4:C[6]-4:O[3]-2:C[5]-4:	C[3,5,6]-4:C[6]-4:O[3]-2:C[5]-4:	O[3](C[3,5,6]C[3,5,6]C[5]C[6])2	C[3,5,6](C[3,5,6]C[5]C[6]O[3])(C[6]C[3,6]HH)(O[3]C[3,5,6])(C[5]C[5]HH)	C[3,5,6](C[3,5,6]C[5]C[6]O[3])(C[6]C[3,6]HH)(O[3]C[3,5,6])(C[5]C[5]HH)	O[3](C[3,5,6]C[3,5,6]C[5]C[6])2{3|C<4>,8|H<1>}	C[3,5,6](C[3,5,6]C[5]C[6]O[3])(C[6]C[3,6]HH)(O[3]C[3,5,6])(C[5]C[5]HH){1|C<4>,1|N<3>,7|H<1>}	C[3,5,6](C[3,5,6]C[5]C[6]O[3])(C[6]C[3,6]HH)(O[3]C[3,5,6])(C[5]C[5]HH){1|C<4>,1|N<3>,7|H<1>}	60.3553	0.000	1	60.3553	0.000	1	60.3553	0.000	1	60.4517	0.043	6	60.6663	0.318	18	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5,6]	C[3,5,6]	4:4:	4:4:2:4:	4:4:2:4:	C[3,5,6]-4:C[3,5,6]-4:	C[5,5,6]-4:C[3,5,6]-4:O[3]-2:C-4:	C[3,5,6]-4:C[5,5,6]-4:O[3]-2:C-4:	O[3](C[3,5,6]C[3,5,6]C[5,5,6]C)2	C[3,5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[3,5,6]C[5,5,6]O[3]C)(O[3]C[3,5,6])(CH3)	C[3,5,6](C[3,5,6]C[5,5,6]O[3]C)(C[5,5,6]C[5,5]C[5,6]H)(O[3]C[3,5,6])(CCHH)	O[3](C[3,5,6]C[3,5,6]C[5,5,6]C)2{1|C<3>,1|H<1>,3|C<4>}	C[3,5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[3,5,6]C[5,5,6]O[3]C)(O[3]C[3,5,6])(CH3){1|C<4>,2|C<3>,5|H<1>}	C[3,5,6](C[3,5,6]C[5,5,6]O[3]C)(C[5,5,6]C[5,5]C[5,6]H)(O[3]C[3,5,6])(CCHH){1|C<3>,1|C<4>,4|H<1>}	60.4710	0.225	5	60.4710	0.051	5	60.4710	0.051	5	60.4517	0.043	6	60.6663	0.318	18	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5,6]	C[3,5,6]	4:4:	4:4:3:2:	4:3:3:2:	C[3,5,6]-4:C[3,5,6]-4:	C[3,5,6]-4:C[5,5,6]-4:C[6]-3:O[3]-2:	C[3,5,6]-4:C[5]-3:C[6]-3:O[3]-2:	O[3](C[3,5,6]C[3,5,6]C[5,5,6]C[6])(C[3,5,6]C[3,5,6]C[5]C[6])	C[3,5,6](C[3,5,6]C[5]C[6]O[3])(C[5,5,6]C[5,5,6]2H)(C[6]C[6,6a]O)(O[3]C[3,5,6])	C[3,5,6](C[3,5,6]C[5,5,6]C[6]O[3])(C[5]C[5,5,6]O)(C[6]C[6,6a]O)(O[3]C[3,5,6])	O[3](C[3,5,6]C[3,5,6]C[5,5,6]C[6])(C[3,5,6]C[3,5,6]C[5]C[6]){1|H<1>,2|C<3>,2|C<4>,3|O<1>}	C[3,5,6](C[3,5,6]C[5]C[6]O[3])(C[5,5,6]C[5,5,6]2H)(C[6]C[6,6a]O)(O[3]C[3,5,6]){1|H<1>,2|O<1>,3|C<3>,3|C<4>}	C[3,5,6](C[3,5,6]C[5,5,6]C[6]O[3])(C[5]C[5,5,6]O)(C[6]C[6,6a]O)(O[3]C[3,5,6]){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	62.1276	0.000	1	62.1276	0.000	1	62.1276	0.000	1	62.1276	0.000	1	60.6663	0.318	18	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5,6]	C[3,5,6]	4:4:	4:4:3:2:	4:4:3:2:	C[3,5,6]-4:C[3,5,6]-4:	C[3,5,6]-4:C[5,6]-4:C[6]-3:O[3]-2:	C[3,5,6]-4:C[5,6]-4:C[6]-3:O[3]-2:	O[3](C[3,5,6]C[3,5,6]C[5,6]C[6])2	C[3,5,6](C[3,5,6]C[5,6]C[6]O[3])(C[5,6]C[5,5,6]C[6,6a]O)(C[6]C[6,6a]O)(O[3]C[3,5,6])	C[3,5,6](C[3,5,6]C[5,6]C[6]O[3])(C[5,6]C[5,5,6]C[6]C)(C[6]C[6,6a]O)(O[3]C[3,5,6])	O[3](C[3,5,6]C[3,5,6]C[5,6]C[6])2{1|C<4>,1|O<2>,2|O<1>,5|C<3>}	C[3,5,6](C[3,5,6]C[5,6]C[6]O[3])(C[5,6]C[5,5,6]C[6,6a]O)(C[6]C[6,6a]O)(O[3]C[3,5,6]){1|O<1>,1|O<2>,7|C<3>}	C[3,5,6](C[3,5,6]C[5,6]C[6]O[3])(C[5,6]C[5,5,6]C[6]C)(C[6]C[6,6a]O)(O[3]C[3,5,6]){2|O<1>,2|O<2>,5|C<3>}	61.7523	0.000	1	61.7523	0.000	1	61.7523	0.000	1	61.3933	0.258	2	60.6663	0.318	18	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5,6]	C[3,5,6]	4:4:	4:4:3:2:	4:4:3:2:	C[3,5,6]-4:C[3,5,6]-4:	C[3,5,6]-4:C[5]-4:C[6]-3:O[3]-2:	C[3,5,6]-4:C[5,6]-4:C[6]-3:O[3]-2:	O[3](C[3,5,6]C[3,5,6]C[5,6]C[6])(C[3,5,6]C[3,5,6]C[5]C[6])	C[3,5,6](C[3,5,6]C[5,6]C[6]O[3])(C[5]C[5,6]HH)(C[6]C[6,6a]O)(O[3]C[3,5,6])	C[3,5,6](C[3,5,6]C[5]C[6]O[3])(C[5,6]C[5,6]C[6]C)(C[6]C[6,6a]O)(O[3]C[3,5,6])	O[3](C[3,5,6]C[3,5,6]C[5,6]C[6])(C[3,5,6]C[3,5,6]C[5]C[6]){2|C<4>,2|H<1>,2|O<1>,3|C<3>}	C[3,5,6](C[3,5,6]C[5,6]C[6]O[3])(C[5]C[5,6]HH)(C[6]C[6,6a]O)(O[3]C[3,5,6]){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[3,5,6](C[3,5,6]C[5]C[6]O[3])(C[5,6]C[5,6]C[6]C)(C[6]C[6,6a]O)(O[3]C[3,5,6]){2|O<1>,3|H<1>,4|C<3>}	61.0344	0.000	1	61.0344	0.000	1	61.0344	0.000	1	61.3933	0.258	2	60.6663	0.318	18	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5,6]	C[3,5,6]	4:4:	4:4:4:2:	4:4:4:2:	C[3,5,6]-4:C[3,5,6]-4:	C[3,5,6]-4:C[5]-4:C[6]-4:O[3]-2:	C[3,5,6]-4:C[5]-4:C[6]-4:O[3]-2:	O[3](C[3,5,6]C[3,5,6]C[5]C[6])2	C[3,5,6](C[3,5,6]C[5]C[6]O[3])(C[5]C[5,5]CC)(C[6]C[6,6]HH)(O[3]C[3,5,6])	C[3,5,6](C[3,5,6]C[5]C[6]O[3])(C[5]C[5,5]HH)(C[6]N[6,6]HH)(O[3]C[3,5,6])	O[3](C[3,5,6]C[3,5,6]C[5]C[6])2{1|N<3>,4|C<4>,6|H<1>}	C[3,5,6](C[3,5,6]C[5]C[6]O[3])(C[5]C[5,5]CC)(C[6]C[6,6]HH)(O[3]C[3,5,6]){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[3,5,6](C[3,5,6]C[5]C[6]O[3])(C[5]C[5,5]HH)(C[6]N[6,6]HH)(O[3]C[3,5,6]){2|H<1>,3|C<3>,3|C<4>}	60.4641	0.000	1	60.4641	0.000	1	60.4641	0.000	1	60.4641	0.000	1	60.6663	0.318	18	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5,6]	C[3,5]	4:4:	3:4:4:2:	4:2:4:1:	C[3,5,6]-4:C[3,5]-4:	C[6,6a]-3:C[3,5]-4:C[5,6]-4:O[3]-2:	C[3,5,6]-4:O[3]-2:C[5]-4:H-1:	O[3](C[3,5,6]C[6,6a]C[3,5]C[5,6])(C[3,5]C[3,5,6]C[5]H)	C[3,5,6](C[6,6a]C[6,6a]C[6a])(C[3,5]C[5]O[3]H)(C[5,6]C[5]C[6]H)(O[3]C[3,5])	C[3,5](C[3,5,6]C[6,6a]C[5,6]O[3])(O[3]C[3,5,6])(C[5]C[5]CC)(H)	O[3](C[3,5,6]C[6,6a]C[3,5]C[5,6])(C[3,5]C[3,5,6]C[5]H){1|H<1>,2|C<4>,4|C<3>}	C[3,5,6](C[6,6a]C[6,6a]C[6a])(C[3,5]C[5]O[3]H)(C[5,6]C[5]C[6]H)(O[3]C[3,5]){5|C<3>,5|H<1>}	C[3,5](C[3,5,6]C[6,6a]C[5,6]O[3])(O[3]C[3,5,6])(C[5]C[5]CC)(H){1|C<4>,2|C<3>,3|H<1>}	59.9376	0.023	2	59.9376	0.001	2	59.9376	0.001	2	59.9376	0.001	2	60.5449	0.163	17	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5,6]	C[3,5]	4:4:	4:3:4:2:	4:4:2:3:	C[3,5,6]-4:C[3,5]-4:	C[3,5]-4:C[6,6a]-3:C[5,6]-4:O[3]-2:	C[3,5,6]-4:C[5,6]-4:O[3]-2:C[6a]-3:	O[3](C[3,5,6]C[6,6a]C[3,5]C[5,6])(C[3,5]C[3,5,6]C[5,6]C[6a])	C[3,5,6](C[3,5]C[5,6]C[6a]O[3])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(O[3]C[3,5])	C[3,5](C[3,5,6]C[6,6a]C[5,6]O[3])(C[5,6]C[5]C[6]2)(O[3]C[3,5,6])(C[6a]C[6a]2)	O[3](C[3,5,6]C[6,6a]C[3,5]C[5,6])(C[3,5]C[3,5,6]C[5,6]C[6a]){4|C<4>,5|C<3>}	C[3,5,6](C[3,5]C[5,6]C[6a]O[3])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(O[3]C[3,5]){1|N<3>,2|C<4>,4|C<3>,5|H<1>}	C[3,5](C[3,5,6]C[6,6a]C[5,6]O[3])(C[5,6]C[5]C[6]2)(O[3]C[3,5,6])(C[6a]C[6a]2){3|C<4>,5|C<3>,8|H<1>}	60.7945	0.000	1	60.7945	0.000	1	60.7945	0.000	1	60.7945	0.000	1	60.5449	0.163	17	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5,6]	C[3,5]	4:4:	4:4:4:2:	4:2:3:1:	C[3,5,6]-4:C[3,5]-4:	C[6,6]-4:C[3,5]-4:C[5,6]-4:O[3]-2:	C[3,5,6]-4:O[3]-2:C[5]-3:H-1:	O[3](C[3,5,6]C[3,5]C[5,6]C[6,6])(C[3,5]C[3,5,6]C[5]H)	C[3,5,6](C[6,6]C[6,6]C[6]C)(C[3,5]C[5]O[3]H)(C[5,6]C[5]C[6]C)(O[3]C[3,5])	C[3,5](C[3,5,6]C[5,6]C[6,6]O[3])(O[3]C[3,5,6])(C[5]C[5]O)(H)	O[3](C[3,5,6]C[3,5]C[5,6]C[6,6])(C[3,5]C[3,5,6]C[5]H){1|O<1>,6|C<4>}	C[3,5,6](C[6,6]C[6,6]C[6]C)(C[3,5]C[5]O[3]H)(C[5,6]C[5]C[6]C)(O[3]C[3,5]){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	C[3,5](C[3,5,6]C[5,6]C[6,6]O[3])(O[3]C[3,5,6])(C[5]C[5]O)(H){1|C<3>,1|H<1>,5|C<4>}	61.4338	0.000	1	61.4338	0.000	1	61.4338	0.000	1	61.4338	0.000	1	60.5449	0.163	17	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5,6]	C[3,5]	4:4:	4:4:4:2:	4:2:4:1:	C[3,5,6]-4:C[3,5]-4:	C[3,5]-4:C[5,6]-4:C[6]-4:O[3]-2:	C[3,5,6]-4:O[3]-2:C[5]-4:H-1:	O[3](C[3,5,6]C[3,5]C[5,6]C[6])(C[3,5]C[3,5,6]C[5]H)	C[3,5,6](C[3,5]C[5]O[3]H)(C[5,6]C[5]O[6]C)(C[6]O[6]HH)(O[3]C[3,5])	C[3,5](C[3,5,6]C[5,6]C[6]O[3])(O[3]C[3,5,6])(C[5]C[5]HH)(H)	O[3](C[3,5,6]C[3,5]C[5,6]C[6])(C[3,5]C[3,5,6]C[5]H){2|C<4>,2|O<2>,4|H<1>}	C[3,5,6](C[3,5]C[5]O[3]H)(C[5,6]C[5]O[6]C)(C[6]O[6]HH)(O[3]C[3,5]){1|C<4>,1|O<2>,3|H<1>}	C[3,5](C[3,5,6]C[5,6]C[6]O[3])(O[3]C[3,5,6])(C[5]C[5]HH)(H){1|C<4>,3|H<1>,3|O<2>}	60.4362	0.082	2	60.4362	0.007	2	60.4362	0.007	2	60.5362	0.047	9	60.5449	0.163	17	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5,6]	C[3,5]	4:4:	4:4:4:2:	4:2:4:1:	C[3,5,6]-4:C[3,5]-4:	C[6,6]-4:C[3,5]-4:C[5,6]-4:O[3]-2:	C[3,5,6]-4:O[3]-2:C[5]-4:H-1:	O[3](C[3,5,6]C[3,5]C[5,6]C[6,6])(C[3,5]C[3,5,6]C[5]H)	C[3,5,6](C[6,6]C[3,6,6]C[6]C)(C[3,5]C[5]O[3]H)(C[5,6]C[5]C[6]C)(O[3]C[3,5])	C[3,5](C[3,5,6]C[5,6]C[6,6]O[3])(O[3]C[3,5,6])(C[5]C[5]HH)(H)	O[3](C[3,5,6]C[3,5]C[5,6]C[6,6])(C[3,5]C[3,5,6]C[5]H){1|C<3>,2|H<1>,5|C<4>}	C[3,5,6](C[6,6]C[3,6,6]C[6]C)(C[3,5]C[5]O[3]H)(C[5,6]C[5]C[6]C)(O[3]C[3,5]){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[3,5](C[3,5,6]C[5,6]C[6,6]O[3])(O[3]C[3,5,6])(C[5]C[5]HH)(H){1|H<1>,2|C<3>,4|C<4>}	60.6125	0.182	2	60.6125	0.033	2	60.5648	0.057	7	60.5362	0.047	9	60.5449	0.163	17	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5,6]	C[3,5]	4:4:	4:4:4:2:	4:2:4:1:	C[3,5,6]-4:C[3,5]-4:	C[6,6]-4:C[3,5]-4:C[5,6]-4:O[3]-2:	C[3,5,6]-4:O[3]-2:C[5]-4:H-1:	O[3](C[3,5,6]C[3,5]C[5,6]C[6,6])(C[3,5]C[3,5,6]C[5]H)	C[3,5,6](C[6,6]C[6,6]C[6]C)(C[3,5]C[5]O[3]H)(C[5,6]C[5]C[6]C)(O[3]C[3,5])	C[3,5](C[3,5,6]C[5,6]C[6,6]O[3])(O[3]C[3,5,6])(C[5]C[5]HH)(H)	O[3](C[3,5,6]C[3,5]C[5,6]C[6,6])(C[3,5]C[3,5,6]C[5]H){1|C<3>,2|H<1>,5|C<4>}	C[3,5,6](C[6,6]C[6,6]C[6]C)(C[3,5]C[5]O[3]H)(C[5,6]C[5]C[6]C)(O[3]C[3,5]){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	C[3,5](C[3,5,6]C[5,6]C[6,6]O[3])(O[3]C[3,5,6])(C[5]C[5]HH)(H){1|H<1>,2|C<3>,4|C<4>}	60.4888	0.158	3	60.6092	0.075	4	60.5648	0.057	7	60.5362	0.047	9	60.5449	0.163	17	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5,6]	C[3,5]	4:4:	4:4:4:2:	4:2:4:1:	C[3,5,6]-4:C[3,5]-4:	C[6,6]-4:C[3,5]-4:C[5,6]-4:O[3]-2:	C[3,5,6]-4:O[3]-2:C[5]-4:H-1:	O[3](C[3,5,6]C[3,5]C[5,6]C[6,6])(C[3,5]C[3,5,6]C[5]H)	C[3,5,6](C[6,6]C[6,6]C[6]C)(C[3,5]C[5]O[3]H)(C[5,6]C[5]C[6]C)(O[3]C[3,5])	C[3,5](C[3,5,6]C[5,6]C[6,6]O[3])(O[3]C[3,5,6])(C[5]C[5]HH)(H)	O[3](C[3,5,6]C[3,5]C[5,6]C[6,6])(C[3,5]C[3,5,6]C[5]H){2|H<1>,6|C<4>}	C[3,5,6](C[6,6]C[6,6]C[6]C)(C[3,5]C[5]O[3]H)(C[5,6]C[5]C[6]C)(O[3]C[3,5]){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[3,5](C[3,5,6]C[5,6]C[6,6]O[3])(O[3]C[3,5,6])(C[5]C[5]HH)(H){1|C<3>,1|H<1>,5|C<4>}	60.9704	0.000	1	60.6092	0.075	4	60.5648	0.057	7	60.5362	0.047	9	60.5449	0.163	17	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5,6]	C[3,5]	4:4:	4:4:4:2:	4:2:4:1:	C[3,5,6]-4:C[3,5]-4:	C[6,6]-4:C[3,5]-4:C[5,6]-4:O[3]-2:	C[3,5,6]-4:O[3]-2:C[5]-4:H-1:	O[3](C[3,5,6]C[3,5]C[5,6]C[6,6])(C[3,5]C[3,5,6]C[5]H)	C[3,5,6](C[6,6]C[6,6]C[6]H)(C[3,5]C[5]O[3]H)(C[5,6]C[5]C[6]C)(O[3]C[3,5])	C[3,5](C[3,5,6]C[5,6]C[6,6]O[3])(O[3]C[3,5,6])(C[5]C[5]HO)(H)	O[3](C[3,5,6]C[3,5]C[5,6]C[6,6])(C[3,5]C[3,5,6]C[5]H){1|O<2>,2|H<1>,5|C<4>}	C[3,5,6](C[6,6]C[6,6]C[6]H)(C[3,5]C[5]O[3]H)(C[5,6]C[5]C[6]C)(O[3]C[3,5]){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[3,5](C[3,5,6]C[5,6]C[6,6]O[3])(O[3]C[3,5,6])(C[5]C[5]HO)(H){1|C<3>,2|H<1>,4|C<4>}	60.2920	0.000	1	60.2920	0.000	1	60.5648	0.057	7	60.5362	0.047	9	60.5449	0.163	17	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5,6]	C[3,5]	4:4:	4:4:4:2:	4:2:4:4:	C[3,5,6]-4:C[3,5]-4:	C[3,5]-4:C[5,6]-4:C[6]-4:O[3]-2:	C[3,5,6]-4:O[3]-2:C[5]-4:C-4:	O[3](C[3,5,6]C[3,5]C[5,6]C[6])(C[3,5]C[3,5,6]C[5]C)	C[3,5,6](C[3,5]C[5]O[3]C)(C[5,6]C[6]O[5]O)(C[6]C[5,6]HO)(O[3]C[3,5])	C[3,5](C[3,5,6]C[5,6]C[6]O[3])(O[3]C[3,5,6])(C[5]O[5]HO)(CH3)	O[3](C[3,5,6]C[3,5]C[5,6]C[6])(C[3,5]C[3,5,6]C[5]C){2|C<4>,2|H<1>,4|O<2>}	C[3,5,6](C[3,5]C[5]O[3]C)(C[5,6]C[6]O[5]O)(C[6]C[5,6]HO)(O[3]C[3,5]){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[3,5](C[3,5,6]C[5,6]C[6]O[3])(O[3]C[3,5,6])(C[5]O[5]HO)(CH3){1|H<1>,2|C<4>,2|O<2>}	60.9759	0.000	1	60.9759	0.000	1	60.9759	0.000	1	60.9485	0.001	2	60.5449	0.163	17	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5,6]	C[3,5]	4:4:	4:4:4:2:	4:2:4:4:	C[3,5,6]-4:C[3,5]-4:	C[5,6]-4:C[3,5]-4:C[6]-4:O[3]-2:	C[3,5,6]-4:O[3]-2:C[5]-4:C-4:	O[3](C[3,5,6]C[3,5]C[5,6]C[6])(C[3,5]C[3,5,6]C[5]C)	C[3,5,6](C[5,6]C[6,6]C[5]C)(C[3,5]C[5]O[3]C)(C[6]C[6]CH)(O[3]C[3,5])	C[3,5](C[3,5,6]C[5,6]C[6]O[3])(O[3]C[3,5,6])(C[5]C[5]HH)(CCCH)	O[3](C[3,5,6]C[3,5]C[5,6]C[6])(C[3,5]C[3,5,6]C[5]C){1|C<3>,3|H<1>,4|C<4>}	C[3,5,6](C[5,6]C[6,6]C[5]C)(C[3,5]C[5]O[3]C)(C[6]C[6]CH)(O[3]C[3,5]){1|C<3>,1|C<4>,6|H<1>}	C[3,5](C[3,5,6]C[5,6]C[6]O[3])(O[3]C[3,5,6])(C[5]C[5]HH)(CCCH){1|C<3>,3|C<4>,3|H<1>}	60.9212	0.000	1	60.9212	0.000	1	60.9212	0.000	1	60.9485	0.001	2	60.5449	0.163	17	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5,6]	C[3,5]	4:4:	4:4:4:2:	4:4:2:1:	C[3,5,6]-4:C[3,5]-4:	C[3,5]-4:C[5,6]-4:C[6,6]-4:O[3]-2:	C[3,5,6]-4:C[5,6]-4:O[3]-2:H-1:	O[3](C[3,5,6]C[3,5]C[5,6]C[6,6])(C[3,5]C[3,5,6]C[5,6]H)	C[3,5,6](C[3,5]C[5,6]O[3]H)(C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(O[3]C[3,5])	C[3,5](C[3,5,6]C[5,6]C[6,6]O[3])(C[5,6]C[5,6]C[6]O)(O[3]C[3,5,6])(H)	O[3](C[3,5,6]C[3,5]C[5,6]C[6,6])(C[3,5]C[3,5,6]C[5,6]H){1|C<3>,1|H<1>,1|O<2>,5|C<4>}	C[3,5,6](C[3,5]C[5,6]O[3]H)(C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(O[3]C[3,5]){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	C[3,5](C[3,5,6]C[5,6]C[6,6]O[3])(C[5,6]C[5,6]C[6]O)(O[3]C[3,5,6])(H){1|C<3>,1|H<1>,7|C<4>}	59.9944	0.000	1	59.9944	0.000	1	59.9944	0.000	1	60.2178	0.100	2	60.5449	0.163	17	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5,6]	C[3,5]	4:4:	4:4:4:2:	4:4:2:1:	C[3,5,6]-4:C[3,5]-4:	C[3,5]-4:C[5,6]-4:C[6]-4:O[3]-2:	C[3,5,6]-4:C[5,6]-4:O[3]-2:H-1:	O[3](C[3,5,6]C[3,5]C[5,6]C[6])(C[3,5]C[3,5,6]C[5,6]H)	C[3,5,6](C[3,5]C[5,6]O[3]H)(C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(O[3]C[3,5])	C[3,5](C[3,5,6]C[5,6]C[6]O[3])(C[5,6]C[5,6]2H)(O[3]C[3,5,6])(H)	O[3](C[3,5,6]C[3,5]C[5,6]C[6])(C[3,5]C[3,5,6]C[5,6]H){3|H<1>,5|C<4>}	C[3,5,6](C[3,5]C[5,6]O[3]H)(C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(O[3]C[3,5]){1|O<2>,3|C<4>,5|H<1>}	C[3,5](C[3,5,6]C[5,6]C[6]O[3])(C[5,6]C[5,6]2H)(O[3]C[3,5,6])(H){4|H<1>,6|C<4>}	60.4413	0.000	1	60.4413	0.000	1	60.4413	0.000	1	60.2178	0.100	2	60.5449	0.163	17	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5,6]	C[3,6]	4:4:	4:3:2:2:	4:4:2:1:	C[3,5,6]-4:C[3,6]-4:	C[3,6]-4:C[5,6]-3:O[3]-2:O[5]-2:	C[3,5,6]-4:C[6,6]-4:O[3]-2:H-1:	O[3](C[3,5,6]C[3,6]C[5,6]O[5])(C[3,6]C[3,5,6]C[6,6]H)	C[3,5,6](C[3,6]C[6,6]O[3]H)(C[5,6]C[3,6]C[5])(O[3]C[3,6])(O[5]C[5])	C[3,6](C[3,5,6]C[5,6]O[3]O[5])(C[6,6]C[3,6,6]C[6,6]H)(O[3]C[3,5,6])(H)	O[3](C[3,5,6]C[3,6]C[5,6]O[5])(C[3,6]C[3,5,6]C[6,6]H){1|H<1>,2|C<3>,3|C<4>}	C[3,5,6](C[3,6]C[6,6]O[3]H)(C[5,6]C[3,6]C[5])(O[3]C[3,6])(O[5]C[5]){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[3,6](C[3,5,6]C[5,6]O[3]O[5])(C[6,6]C[3,6,6]C[6,6]H)(O[3]C[3,5,6])(H){1|O<2>,2|C<3>,5|C<4>}	60.8082	0.000	1	60.8082	0.000	1	60.8082	0.000	1	60.8082	0.000	1	60.8270	0.063	14	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5,6]	C[3,6]	4:4:	4:4:3:2:	4:2:4:1:	C[3,5,6]-4:C[3,6]-4:	C[5,6]-4:C[3,6]-4:C[5]-3:O[3]-2:	C[3,5,6]-4:O[3]-2:C[6]-4:H-1:	O[3](C[3,5,6]C[3,6]C[5,6]C[5])(C[3,6]C[3,5,6]C[6]H)	C[3,5,6](C[5,6]C[5,5,6]C[6]H)(C[3,6]C[6]O[3]H)(C[5]C[5,5,6]O)(O[3]C[3,6])	C[3,6](C[3,5,6]C[5,6]C[5]O[3])(O[3]C[3,5,6])(C[6]C[6]CH)(H)	O[3](C[3,5,6]C[3,6]C[5,6]C[5])(C[3,6]C[3,5,6]C[6]H){1|O<1>,2|H<1>,5|C<4>}	C[3,5,6](C[5,6]C[5,5,6]C[6]H)(C[3,6]C[6]O[3]H)(C[5]C[5,5,6]O)(O[3]C[3,6]){1|N<3>,4|C<4>,4|H<1>}	C[3,6](C[3,5,6]C[5,6]C[5]O[3])(O[3]C[3,5,6])(C[6]C[6]CH)(H){1|O<1>,3|C<4>,3|H<1>}	60.8544	0.000	1	60.8544	0.000	1	60.8544	0.000	1	60.8544	0.000	1	60.8270	0.063	14	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5,6]	C[3,6]	4:4:	4:4:4:2:	4:2:3:1:	C[3,5,6]-4:C[3,6]-4:	C[3,6]-4:C[5,6]-4:C[5]-4:O[3]-2:	C[3,5,6]-4:O[3]-2:C[6]-3:H-1:	O[3](C[3,5,6]C[3,6]C[5,6]C[5])(C[3,6]C[3,5,6]C[6]H)	C[3,5,6](C[3,6]C[6]O[3]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(O[3]C[3,6])	C[3,6](C[3,5,6]C[5,6]C[5]O[3])(O[3]C[3,5,6])(C[6]C[6]O)(H)	O[3](C[3,5,6]C[3,6]C[5,6]C[5])(C[3,6]C[3,5,6]C[6]H){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C[3,5,6](C[3,6]C[6]O[3]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(O[3]C[3,6]){2|C<4>,2|O<1>,3|H<1>}	C[3,6](C[3,5,6]C[5,6]C[5]O[3])(O[3]C[3,5,6])(C[6]C[6]O)(H){1|C<3>,3|C<4>,4|H<1>}	60.7998	0.000	1	60.7998	0.000	1	60.7998	0.000	1	60.7601	0.003	4	60.8270	0.063	14	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5,6]	C[3,6]	4:4:	4:4:4:2:	4:2:3:1:	C[3,5,6]-4:C[3,6]-4:	C[4,5,6]-4:C[3,6]-4:C[5]-4:O[3]-2:	C[3,5,6]-4:O[3]-2:C[6]-3:H-1:	O[3](C[3,5,6]C[4,5,6]C[3,6]C[5])(C[3,6]C[3,5,6]C[6]H)	C[3,5,6](C[4,5,6]C[4,5,6]C[6]O[4])(C[3,6]C[6]O[3]H)(C[5]C[5,6]HH)(O[3]C[3,6])	C[3,6](C[3,5,6]C[4,5,6]C[5]O[3])(O[3]C[3,5,6])(C[6]C[6]O)(H)	O[3](C[3,5,6]C[4,5,6]C[3,6]C[5])(C[3,6]C[3,5,6]C[6]H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[3,5,6](C[4,5,6]C[4,5,6]C[6]O[4])(C[3,6]C[6]O[3]H)(C[5]C[5,6]HH)(O[3]C[3,6]){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[3,6](C[3,5,6]C[4,5,6]C[5]O[3])(O[3]C[3,5,6])(C[6]C[6]O)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	60.7469	0.054	3	60.7469	0.003	3	60.7469	0.003	3	60.7601	0.003	4	60.8270	0.063	14	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5,6]	C[3,6]	4:4:	4:4:4:2:	4:2:4:1:	C[3,5,6]-4:C[3,6]-4:	C[5,6]-4:C[3,6]-4:C[5]-4:O[3]-2:	C[3,5,6]-4:O[3]-2:C[6]-4:H-1:	O[3](C[3,5,6]C[3,6]C[5,6]C[5])(C[3,6]C[3,5,6]C[6]H)	C[3,5,6](C[5,6]N[5,6]C[6]H)(C[3,6]C[6]O[3]H)(C[5]C[5,6]HH)(O[3]C[3,6])	C[3,6](C[3,5,6]C[5,6]C[5]O[3])(O[3]C[3,5,6])(C[6]C[6]HH)(H)	O[3](C[3,5,6]C[3,6]C[5,6]C[5])(C[3,6]C[3,5,6]C[6]H){1|N<3>,3|C<4>,5|H<1>}	C[3,5,6](C[5,6]N[5,6]C[6]H)(C[3,6]C[6]O[3]H)(C[5]C[5,6]HH)(O[3]C[3,6]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[3,6](C[3,5,6]C[5,6]C[5]O[3])(O[3]C[3,5,6])(C[6]C[6]HH)(H){1|N<3>,2|C<4>,5|H<1>}	60.8463	0.166	2	60.8463	0.028	2	60.8463	0.028	2	60.8463	0.028	2	60.8270	0.063	14	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5,6]	C[3,6]	4:4:	4:4:4:2:	4:2:4:4:	C[3,5,6]-4:C[3,6]-4:	C[3,6]-4:C[5,6]-4:C[5]-4:O[3]-2:	C[3,5,6]-4:O[3]-2:C[6]-4:C-4:	O[3](C[3,5,6]C[3,6]C[5,6]C[5])(C[3,6]C[3,5,6]C[6]C)	C[3,5,6](C[3,6]C[6]O[3]C)(C[5,6]C[5]C[6]O)(C[5]C[5]HH)(O[3]C[3,6])	C[3,6](C[3,5,6]C[5,6]C[5]O[3])(O[3]C[3,5,6])(C[6]C[6]CO)(CH3)	O[3](C[3,5,6]C[3,6]C[5,6]C[5])(C[3,6]C[3,5,6]C[6]C){2|H<1>,2|O<2>,5|C<4>}	C[3,5,6](C[3,6]C[6]O[3]C)(C[5,6]C[5]C[6]O)(C[5]C[5]HH)(O[3]C[3,6]){1|O<2>,2|C<4>,6|H<1>}	C[3,6](C[3,5,6]C[5,6]C[5]O[3])(O[3]C[3,5,6])(C[6]C[6]CO)(CH3){1|O<2>,3|C<4>,4|H<1>}	61.1604	0.157	2	61.1604	0.025	2	61.1604	0.025	2	61.1604	0.025	2	60.8270	0.063	14	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5,6]	C[3,6]	4:4:	4:4:4:2:	4:4:2:1:	C[3,5,6]-4:C[3,6]-4:	C[3,6]-4:C[5,6]-4:C[5]-4:O[3]-2:	C[3,5,6]-4:C[5,6]-4:O[3]-2:H-1:	O[3](C[3,5,6]C[3,6]C[5,6]C[5])(C[3,6]C[3,5,6]C[5,6]H)	C[3,5,6](C[3,6]C[5,6]O[3]H)(C[5,6]C[5,6]C[5]H)(C[5]C[5]CO)(O[3]C[3,6])	C[3,6](C[3,5,6]C[5,6]C[5]O[3])(C[5,6]O[5,6]C[5]C)(O[3]C[3,5,6])(H)	O[3](C[3,5,6]C[3,6]C[5,6]C[5])(C[3,6]C[3,5,6]C[5,6]H){1|H<1>,2|O<2>,6|C<4>}	C[3,5,6](C[3,6]C[5,6]O[3]H)(C[5,6]C[5,6]C[5]H)(C[5]C[5]CO)(O[3]C[3,6]){1|O<2>,4|C<4>,4|H<1>}	C[3,6](C[3,5,6]C[5,6]C[5]O[3])(C[5,6]O[5,6]C[5]C)(O[3]C[3,5,6])(H){1|O<2>,3|H<1>,5|C<4>}	60.3576	0.000	1	60.3576	0.000	1	60.3576	0.000	1	60.4118	0.006	2	60.8270	0.063	14	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5,6]	C[3,6]	4:4:	4:4:4:2:	4:4:2:1:	C[3,5,6]-4:C[3,6]-4:	C[3,6]-4:C[5,6]-4:C[5]-4:O[3]-2:	C[3,5,6]-4:C[6]-4:O[3]-2:H-1:	O[3](C[3,5,6]C[3,6]C[5,6]C[5])(C[3,6]C[3,5,6]C[6]H)	C[3,5,6](C[3,6]C[6]O[3]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(O[3]C[3,6])	C[3,6](C[3,5,6]C[5,6]C[5]O[3])(C[6]C[5]C[6]O)(O[3]C[3,5,6])(H)	O[3](C[3,5,6]C[3,6]C[5,6]C[5])(C[3,6]C[3,5,6]C[6]H){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	C[3,5,6](C[3,6]C[6]O[3]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(O[3]C[3,6]){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[3,6](C[3,5,6]C[5,6]C[5]O[3])(C[6]C[5]C[6]O)(O[3]C[3,5,6])(H){2|C<3>,4|C<4>,5|H<1>}	60.4660	0.000	1	60.4660	0.000	1	60.4660	0.000	1	60.4118	0.006	2	60.8270	0.063	14	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5,6]	C[3,6]	4:4:	4:4:4:2:	4:4:2:4:	C[3,5,6]-4:C[3,6]-4:	C[5,6,6]-4:C[5,6]-4:C[3,6]-4:O[3]-2:	C[3,5,6]-4:C[6,6]-4:O[3]-2:C-4:	O[3](C[3,5,6]C[5,6,6]C[3,6]C[5,6])(C[3,6]C[3,5,6]C[6,6]C)	C[3,5,6](C[5,6,6]O[5,6]C[6]O[6])(C[5,6]C[5,6,6]C[6]H)(C[3,6]C[6,6]O[3]C)(O[3]C[3,6])	C[3,6](C[3,5,6]C[5,6,6]C[5,6]O[3])(C[6,6]C[6,6]C[6]H)(O[3]C[3,5,6])(CH3)	O[3](C[3,5,6]C[5,6,6]C[3,6]C[5,6])(C[3,6]C[3,5,6]C[6,6]C){2|H<1>,2|O<2>,5|C<4>}	C[3,5,6](C[5,6,6]O[5,6]C[6]O[6])(C[5,6]C[5,6,6]C[6]H)(C[3,6]C[6,6]O[3]C)(O[3]C[3,6]){2|C<3>,3|C<4>,6|H<1>}	C[3,6](C[3,5,6]C[5,6,6]C[5,6]O[3])(C[6,6]C[6,6]C[6]H)(O[3]C[3,5,6])(CH3){2|O<2>,4|H<1>,5|C<4>}	60.8029	0.000	1	60.8029	0.000	1	60.8029	0.000	1	61.0187	0.093	2	60.8270	0.063	14	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5,6]	C[3,6]	4:4:	4:4:4:2:	4:4:2:4:	C[3,5,6]-4:C[3,6]-4:	C[5,6]-4:C[3,6]-4:C[5]-4:O[3]-2:	C[3,5,6]-4:C[6]-4:O[3]-2:C-4:	O[3](C[3,5,6]C[3,6]C[5,6]C[5])(C[3,6]C[3,5,6]C[6]C)	C[3,5,6](C[5,6]C[3,6]C[5]H)(C[3,6]C[6]O[3]C)(C[5]C[5]CC)(O[3]C[3,6])	C[3,6](C[3,5,6]C[5,6]C[5]O[3])(C[6]C[3,6]CH)(O[3]C[3,5,6])(CHHO)	O[3](C[3,5,6]C[3,6]C[5,6]C[5])(C[3,6]C[3,5,6]C[6]C){2|H<1>,7|C<4>}	C[3,5,6](C[5,6]C[3,6]C[5]H)(C[3,6]C[6]O[3]C)(C[5]C[5]CC)(O[3]C[3,6]){1|O<2>,4|C<4>,4|H<1>}	C[3,6](C[3,5,6]C[5,6]C[5]O[3])(C[6]C[3,6]CH)(O[3]C[3,5,6])(CHHO){1|O<2>,2|H<1>,5|C<4>}	61.2345	0.000	1	61.2345	0.000	1	61.2345	0.000	1	61.0187	0.093	2	60.8270	0.063	14	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5,6]	C[3]	4:4:	4:4:4:2:	4:2:1:1:	C[3,5,6]-4:C[3]-4:	C[5,5,6,6]-4:C[5,6,6]-4:C[3]-4:O[3]-2:	C[3,5,6]-4:O[3]-2:H-1:H-1:	O[3](C[3,5,6]C[5,5,6,6]C[5,6,6]C[3])(C[3]C[3,5,6]HH)	C[3,5,6](C[5,5,6,6]C[3x5,6]C[3x6]C[5])(C[5,6,6]C[5,5,6]C[6,6]C)(C[3]O[3]HH)(O[3]C[3])	C[3](C[3,5,6]C[5,5,6,6]C[5,6,6]O[3])(O[3]C[3,5,6])(H)2	O[3](C[3,5,6]C[5,5,6,6]C[5,6,6]C[3])(C[3]C[3,5,6]HH){1|C<3>,5|C<4>}	C[3,5,6](C[5,5,6,6]C[3x5,6]C[3x6]C[5])(C[5,6,6]C[5,5,6]C[6,6]C)(C[3]O[3]HH)(O[3]C[3]){1|O<1>,2|H<1>,4|C<4>,4|O<2>}	C[3](C[3,5,6]C[5,5,6,6]C[5,6,6]O[3])(O[3]C[3,5,6])(H)2{1|C<3>,5|C<4>}	61.1572	0.460	4	61.1572	0.211	4	61.1572	0.211	4	60.5706	0.320	14	60.5706	0.320	14	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5,6]	C[3]	4:4:	4:4:4:2:	4:2:1:1:	C[3,5,6]-4:C[3]-4:	C[5,6]-4:C[5,6]-4:C[3]-4:O[3]-2:	C[3,5,6]-4:O[3]-2:H-1:H-1:	O[3](C[3,5,6]C[5,6]2C[3])(C[3]C[3,5,6]HH)	C[3,5,6](C[5,6]C[6,6]C[5]C)(C[5,6]C[5]O[6]H)(C[3]O[3]HH)(O[3]C[3])	C[3](C[3,5,6]C[5,6]2O[3])(O[3]C[3,5,6])(H)2	O[3](C[3,5,6]C[5,6]2C[3])(C[3]C[3,5,6]HH){1|H<1>,1|O<2>,4|C<4>}	C[3,5,6](C[5,6]C[6,6]C[5]C)(C[5,6]C[5]O[6]H)(C[3]O[3]HH)(O[3]C[3]){1|O<2>,3|C<4>,3|H<1>}	C[3](C[3,5,6]C[5,6]2O[3])(O[3]C[3,5,6])(H)2{1|H<1>,1|O<2>,4|C<4>}	60.3117	0.440	9	60.3360	0.178	10	60.3360	0.178	10	60.5706	0.320	14	60.5706	0.320	14	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5,6]	C[3]	4:4:	4:4:4:2:	4:2:1:1:	C[3,5,6]-4:C[3]-4:	C[5,6]-4:C[5,6]-4:C[3]-4:O[3]-2:	C[3,5,6]-4:O[3]-2:H-1:H-1:	O[3](C[3,5,6]C[5,6]2C[3])(C[3]C[3,5,6]HH)	C[3,5,6](C[5,6]C[6,6]C[5]C)(C[5,6]C[5]O[6]H)(C[3]O[3]HH)(O[3]C[3])	C[3](C[3,5,6]C[5,6]2O[3])(O[3]C[3,5,6])(H)2	O[3](C[3,5,6]C[5,6]2C[3])(C[3]C[3,5,6]HH){1|H<1>,1|O<2>,4|C<4>}	C[3,5,6](C[5,6]C[6,6]C[5]C)(C[5,6]C[5]O[6]H)(C[3]O[3]HH)(O[3]C[3]){2|H<1>,2|O<2>,3|C<4>}	C[3](C[3,5,6]C[5,6]2O[3])(O[3]C[3,5,6])(H)2{1|H<1>,1|O<2>,4|C<4>}	60.5548	0.000	1	60.3360	0.178	10	60.3360	0.178	10	60.5706	0.320	14	60.5706	0.320	14	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5]	C[3,5,6]	4:4:	4:2:4:4:	4:3:2:3:	C[3,5,6]-4:C[3,5]-4:	C[3,5,6]-4:O[3]-2:C[5]-4:C-4:	C[3,5]-4:C[5,6]-3:O[3]-2:C[6]-3:	O[3](C[3,5,6]C[3,5]C[5,6]C[6])(C[3,5]C[3,5,6]C[5]C)	C[3,5](C[3,5,6]C[5,6]C[6]O[3])(O[3]C[3,5,6])(C[5]C[5]HH)(CCl2H)	C[3,5,6](C[3,5]C[5]O[3]C)(C[5,6]C[5]C[6])(O[3]C[3,5])(C[6]C[6]O)	O[3](C[3,5,6]C[3,5]C[5,6]C[6])(C[3,5]C[3,5,6]C[5]C){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[3,5](C[3,5,6]C[5,6]C[6]O[3])(O[3]C[3,5,6])(C[5]C[5]HH)(CCl2H){1|O<2>,2|C<3>,2|H<1>}	C[3,5,6](C[3,5]C[5]O[3]C)(C[5,6]C[5]C[6])(O[3]C[3,5])(C[6]C[6]O){1|C<3>,6|H<1>}	61.4986	0.000	1	61.4986	0.000	1	61.4986	0.000	1	61.4986	0.000	1	61.4986	0.000	1	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5]	C[3,5]	4:4:	3:4:2:1:	4:4:2:4:	C[3,5]-4:C[3,5]-4:	C[5,6a]-3:C[3,5]-4:O[3]-2:H-1:	C[5,5]-4:C[3,5]-4:O[3]-2:C-4:	O[3](C[3,5]C[5,6a]C[3,5]H)(C[3,5]C[3,5]C[5,5]C)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[5,5]O[3]C)(O[3]C[3,5])(H)	C[3,5](C[5,5]C[5,6a]N[5]O[5])(C[3,5]C[5,6a]O[3]H)(O[3]C[3,5])(CH3)	O[3](C[3,5]C[5,6a]C[3,5]H)(C[3,5]C[3,5]C[5,5]C){1|N<3>,1|O<2>,2|C<3>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[5,5]O[3]C)(O[3]C[3,5])(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[3,5](C[5,5]C[5,6a]N[5]O[5])(C[3,5]C[5,6a]O[3]H)(O[3]C[3,5])(CH3){1|H<1>,2|C<3>,2|C<4>}	60.5799	0.000	1	60.5799	0.000	1	60.5799	0.000	1	60.5799	0.000	1	60.5614	0.451	126	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5]	C[3,5]	4:4:	4:2:3:3:	4:4:2:1:	C[3,5]-4:C[3,5]-4:	C[3,5]-4:O[3]-2:C[5]-3:C-3:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)	C[3,5](C[3,5]C[5]O[3]H)(O[3]C[3,5])(C[5]O[5]O)(CCH)	C[3,5](C[3,5]C[5]O[3]C)(C[5]O[5]CH)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[3,5](C[3,5]C[5]O[3]H)(O[3]C[3,5])(C[5]O[5]O)(CCH){1|C<4>,1|H<1>}	C[3,5](C[3,5]C[5]O[3]C)(C[5]O[5]CH)(O[3]C[3,5])(H){1|O<1>}	60.9546	0.000	1	60.9546	0.000	1	60.9546	0.000	1	60.9546	0.000	1	60.5614	0.451	126	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5]	C[3,5]	4:4:	4:2:3:4:	4:4:2:1:	C[3,5]-4:C[3,5]-4:	C[3,5]-4:O[3]-2:C[5]-3:C-4:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)	C[3,5](C[3,5]C[5]O[3]H)(O[3]C[3,5])(C[5]N[5]O)(CH3)	C[3,5](C[3,5]C[5]O[3]C)(C[5]N[5]CH)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[3,5](C[3,5]C[5]O[3]H)(O[3]C[3,5])(C[5]N[5]O)(CH3){1|C<4>,2|H<1>}	C[3,5](C[3,5]C[5]O[3]C)(C[5]N[5]CH)(O[3]C[3,5])(H){1|H<1>,1|O<1>}	60.3996	0.000	1	60.3996	0.000	1	60.5903	0.078	4	60.5903	0.078	4	60.5614	0.451	126	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5]	C[3,5]	4:4:	4:2:3:4:	4:4:2:1:	C[3,5]-4:C[3,5]-4:	C[3,5]-4:O[3]-2:C[5]-3:C-4:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)	C[3,5](C[3,5]C[5]O[3]H)(O[3]C[3,5])(C[5]O[5]O)(CCHH)	C[3,5](C[3,5]C[5]O[3]C)(C[5]O[5]CH)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[3,5](C[3,5]C[5]O[3]H)(O[3]C[3,5])(C[5]O[5]O)(CCHH){1|C<4>,1|H<1>}	C[3,5](C[3,5]C[5]O[3]C)(C[5]O[5]CH)(O[3]C[3,5])(H){1|O<1>}	60.8002	0.238	2	60.8002	0.057	2	60.5903	0.078	4	60.5903	0.078	4	60.5614	0.451	126	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5]	C[3,5]	4:4:	4:2:3:4:	4:4:2:1:	C[3,5]-4:C[3,5]-4:	C[3,5]-4:O[3]-2:C[5]-3:C-4:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)	C[3,5](C[3,5]C[5]O[3]H)(O[3]C[3,5])(C[5]O[5]O)(CCHO)	C[3,5](C[3,5]C[5]O[3]C)(C[5]O[5]CH)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[3,5](C[3,5]C[5]O[3]H)(O[3]C[3,5])(C[5]O[5]O)(CCHO){1|C<4>,1|H<1>}	C[3,5](C[3,5]C[5]O[3]C)(C[5]O[5]CH)(O[3]C[3,5])(H){1|O<1>}	60.3612	0.000	1	60.3612	0.000	1	60.5903	0.078	4	60.5903	0.078	4	60.5614	0.451	126	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5]	C[3,5]	4:4:	4:3:2:2:	4:4:2:4:	C[3,5]-4:C[3,5]-4:	C[3,5]-4:C[6a]-3:O[3]-2:O[5]-2:	C[3,5]-4:C[5]-4:O[3]-2:C-4:	O[3](C[3,5]C[3,5]C[6a]O[5])(C[3,5]C[3,5]C[5]C)	C[3,5](C[3,5]C[5]O[3]C)(C[6a]C[6a]2)(O[3]C[3,5])(O[5]C[5])	C[3,5](C[3,5]C[6a]O[3]O[5])(C[5]C[5]CC)(O[3]C[3,5])(CC3)	O[3](C[3,5]C[3,5]C[6a]O[5])(C[3,5]C[3,5]C[5]C){2|C<3>,3|C<4>}	C[3,5](C[3,5]C[5]O[3]C)(C[6a]C[6a]2)(O[3]C[3,5])(O[5]C[5]){2|C<3>,2|C<4>,4|H<1>}	C[3,5](C[3,5]C[6a]O[3]O[5])(C[5]C[5]CC)(O[3]C[3,5])(CC3){2|C<3>,2|H<1>}	60.0995	0.000	1	60.0995	0.000	1	60.0995	0.000	1	60.0995	0.000	1	60.5614	0.451	126	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5]	C[3,5]	4:4:	4:3:2:4:	4:4:2:1:	C[3,5]-4:C[3,5]-4:	C[3,5]-4:C[5]-3:O[3]-2:C-4:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5,5]O)(O[3]C[3,5])(CHHO)	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[5,5]HN)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H){1|C<4>,1|H<1>,1|N<2>,1|O<1>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5,5]O)(O[3]C[3,5])(CHHO){1|C<4>,1|H<1>,2|N<2>}	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[5,5]HN)(O[3]C[3,5])(H){1|C<4>,1|N<2>,1|O<1>}	61.0627	0.155	2	61.0627	0.024	2	61.0627	0.024	2	61.0627	0.024	2	60.5614	0.451	126	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5]	C[3,5]	4:4:	4:3:4:2:	4:2:3:1:	C[3,5]-4:C[3,5]-4:	C[3,5]-4:C[6a]-3:C[5]-4:O[3]-2:	C[3,5]-4:O[3]-2:C[5]-3:H-1:	O[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[3,5]C[5]H)	C[3,5](C[3,5]C[5]O[3]H)(C[6a]C[6a]2)(C[5]N[5]HH)(O[3]C[3,5])	C[3,5](C[3,5]C[6a]C[5]O[3])(O[3]C[3,5])(C[5]N[5]C)(H)	O[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[3,5]C[5]H){1|N<3>,2|H<1>,3|C<3>}	C[3,5](C[3,5]C[5]O[3]H)(C[6a]C[6a]2)(C[5]N[5]HH)(O[3]C[3,5]){1|S<4>,2|H<1>,3|C<3>}	C[3,5](C[3,5]C[6a]C[5]O[3])(O[3]C[3,5])(C[5]N[5]C)(H){1|S<4>,2|C<3>,2|H<1>}	61.3987	0.000	1	61.3987	0.000	1	61.3987	0.000	1	61.3987	0.000	1	60.5614	0.451	126	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5]	C[3,5]	4:4:	4:4:2:1:	4:2:2:1:	C[3,5]-4:C[3,5]-4:	C[3,5]-4:C[5,5]-4:O[3]-2:H-1:	C[3,5]-4:O[3]-2:O[5]-2:H-1:	O[3](C[3,5]C[3,5]C[5,5]H)(C[3,5]C[3,5]O[5]H)	C[3,5](C[3,5]O[3]O[5]H)(C[5,5]C[5]3)(O[3]C[3,5])(H)	C[3,5](C[3,5]C[5,5]O[3]H)(O[3]C[3,5])(O[5]C[5])(H)	O[3](C[3,5]C[3,5]C[5,5]H)(C[3,5]C[3,5]O[5]H){1|C<3>,2|C<4>}	C[3,5](C[3,5]O[3]O[5]H)(C[5,5]C[5]3)(O[3]C[3,5])(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[3,5](C[3,5]C[5,5]O[3]H)(O[3]C[3,5])(O[5]C[5])(H){1|O<1>,2|C<4>}	60.2734	0.155	2	60.2734	0.024	2	60.2734	0.024	2	60.2734	0.024	2	60.5614	0.451	126	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5]	C[3,5]	4:4:	4:4:2:1:	4:2:3:1:	C[3,5]-4:C[3,5]-4:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:O[3]-2:C[5]-3:H-1:	O[3](C[3,5]C[3,5]C[5]H)2	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[6a]C[5]C)(O[3]C[3,5])(H)	C[3,5](C[3,5]C[5]O[3]H)(O[3]C[3,5])(C[5]C[5]O)(H)	O[3](C[3,5]C[3,5]C[5]H)2{1|C<4>,1|O<1>,2|C<3>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[6a]C[5]C)(O[3]C[3,5])(H){1|O<1>,2|C<3>,2|H<1>}	C[3,5](C[3,5]C[5]O[3]H)(O[3]C[3,5])(C[5]C[5]O)(H){2|C<3>,2|H<1>}	61.5090	0.000	1	61.5090	0.000	1	61.5090	0.000	1	61.5090	0.000	1	60.5614	0.451	126	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5]	C[3,5]	4:4:	4:4:2:1:	4:2:3:4:	C[3,5]-4:C[3,5]-4:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:O[3]-2:C[5]-3:C-4:	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[6]O[5]H)(O[3]C[3,5])(H)	C[3,5](C[3,5]C[5]O[3]H)(O[3]C[3,5])(C[5]O[5]O)(CCHH)	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[6]O[5]H)(O[3]C[3,5])(H){1|O<1>,2|C<3>}	C[3,5](C[3,5]C[5]O[3]H)(O[3]C[3,5])(C[5]O[5]O)(CCHH){1|C<3>,1|H<1>}	60.5803	0.235	4	60.5803	0.055	4	60.4934	0.051	6	60.4934	0.051	6	60.5614	0.451	126	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5]	C[3,5]	4:4:	4:4:2:1:	4:2:3:4:	C[3,5]-4:C[3,5]-4:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:O[3]-2:C[5]-3:C-4:	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[6a]O[5]H)(O[3]C[3,5])(H)	C[3,5](C[3,5]C[5]O[3]H)(O[3]C[3,5])(C[5]O[5]O)(CH3)	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[6a]O[5]H)(O[3]C[3,5])(H){1|O<1>,2|C<3>}	C[3,5](C[3,5]C[5]O[3]H)(O[3]C[3,5])(C[5]O[5]O)(CH3){1|C<3>,1|H<1>}	60.3196	0.004	2	60.3196	0.000	2	60.4934	0.051	6	60.4934	0.051	6	60.5614	0.451	126	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5]	C[3,5]	4:4:	4:4:2:1:	4:3:2:1:	C[3,5]-4:C[3,5]-4:	C[5,6]-4:C[3,5]-4:O[3]-2:H-1:	C[3,5]-4:C[5]-3:O[3]-2:H-1:	O[3](C[3,5]C[3,5]C[5,6]H)(C[3,5]C[3,5]C[5]H)	C[3,5](C[5,6]C[5,6]C[6,6]H)(C[3,5]C[5]O[3]H)(O[3]C[3,5])(H)	C[3,5](C[3,5]C[5,6]O[3]H)(C[5]C[5,6]O)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5,6]H)(C[3,5]C[3,5]C[5]H){1|H<1>,1|O<1>,2|C<4>}	C[3,5](C[5,6]C[5,6]C[6,6]H)(C[3,5]C[5]O[3]H)(O[3]C[3,5])(H){1|H<1>,1|O<1>,4|C<4>}	C[3,5](C[3,5]C[5,6]O[3]H)(C[5]C[5,6]O)(O[3]C[3,5])(H){1|H<1>,3|C<4>}	61.4959	0.065	2	61.4959	0.004	2	61.4959	0.004	2	61.4959	0.004	2	60.5614	0.451	126	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5]	C[3,5]	4:4:	4:4:2:1:	4:3:2:3:	C[3,5]-4:C[3,5]-4:	C[3,5]-4:C[5,6]-4:O[3]-2:H-1:	C[3,5]-4:C[6a]-3:O[3]-2:C[5]-3:	O[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[3,5]C[5,6]H)	C[3,5](C[3,5]C[6a]C[5]O[3])(C[5,6]C[6]2N[5])(O[3]C[3,5])(H)	C[3,5](C[3,5]C[5,6]O[3]H)(C[6a]C[6a]2)(O[3]C[3,5])(C[5]N[5]O)	O[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[3,5]C[5,6]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[3,5](C[3,5]C[6a]C[5]O[3])(C[5,6]C[6]2N[5])(O[3]C[3,5])(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[3,5](C[3,5]C[5,6]O[3]H)(C[6a]C[6a]2)(O[3]C[3,5])(C[5]N[5]O){2|C<3>,2|H<1>,3|C<4>}	61.1429	0.000	1	61.1429	0.000	1	61.1429	0.000	1	61.1429	0.000	1	60.5614	0.451	126	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5]	C[3,5]	4:4:	4:4:2:1:	4:3:2:4:	C[3,5]-4:C[3,5]-4:	C[5,5,6]-4:C[3,5]-4:O[3]-2:H-1:	C[3,5]-4:C[5]-3:O[3]-2:C-4:	O[3](C[3,5]C[5,5,6]C[3,5]H)(C[3,5]C[3,5]C[5]C)	C[3,5](C[5,5,6]C[5,5,6]2H)(C[3,5]C[5]O[3]C)(O[3]C[3,5])(H)	C[3,5](C[3,5]C[5,5,6]O[3]H)(C[5]C[5,5,6]O)(O[3]C[3,5])(CC[6a]HO)	O[3](C[3,5]C[5,5,6]C[3,5]H)(C[3,5]C[3,5]C[5]C){1|H<1>,1|O<1>,2|C<4>}	C[3,5](C[5,5,6]C[5,5,6]2H)(C[3,5]C[5]O[3]C)(O[3]C[3,5])(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[3,5](C[3,5]C[5,5,6]O[3]H)(C[5]C[5,5,6]O)(O[3]C[3,5])(CC[6a]HO){2|C<4>,2|H<1>}	60.9202	0.000	1	60.9202	0.000	1	60.9202	0.000	1	60.9202	0.000	1	60.5614	0.451	126	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5]	C[3,5]	4:4:	4:4:2:1:	4:3:4:2:	C[3,5]-4:C[3,5]-4:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:C[6a]-3:C[5]-4:O[3]-2:	O[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[3,5]C[5]H)	C[3,5](C[3,5]C[6a]C[5]O[3])(C[5]C[5]CC)(O[3]C[3,5])(H)	C[3,5](C[3,5]C[5]O[3]H)(C[6a]C[6a]2)(C[5]C[5]CH)(O[3]C[3,5])	O[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[3,5]C[5]H){1|H<1>,2|C<4>,4|C<3>}	C[3,5](C[3,5]C[6a]C[5]O[3])(C[5]C[5]CC)(O[3]C[3,5])(H){1|C<4>,2|C<3>,3|H<1>}	C[3,5](C[3,5]C[5]O[3]H)(C[6a]C[6a]2)(C[5]C[5]CH)(O[3]C[3,5]){3|H<1>,5|C<3>}	60.3068	0.000	1	60.3068	0.000	1	60.3068	0.000	1	60.3068	0.000	1	60.5614	0.451	126	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5]	C[3,5]	4:4:	4:4:2:1:	4:4:2:1:	C[3,5]-4:C[3,5]-4:	C[3,5]-4:C[5,6]-4:O[3]-2:H-1:	C[3,5]-4:C[3,5]-4:O[3]-2:H-1:	O[3](C[3,5]C[3,5]C[5,6]H)(C[3,5]C[3,5]2H)	C[3,5](C[3,5]C[3,5]O[3]H)(C[5,6]C[5,6]2O)(O[3]C[3,5])(H)	C[3,5](C[3,5]C[5,6]C[3]O[3])(C[3,5]C[5,6]O[3]H)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5,6]H)(C[3,5]C[3,5]2H){2|O<2>,3|C<4>}	C[3,5](C[3,5]C[3,5]O[3]H)(C[5,6]C[5,6]2O)(O[3]C[3,5])(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[3,5](C[3,5]C[5,6]C[3]O[3])(C[3,5]C[5,6]O[3]H)(O[3]C[3,5])(H){1|O<2>,2|H<1>,3|C<4>}	60.5768	0.000	1	60.5768	0.000	1	60.5768	0.000	1	60.2566	0.330	48	60.5614	0.451	126	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5]	C[3,5]	4:4:	4:4:2:1:	4:4:2:1:	C[3,5]-4:C[3,5]-4:	C[3,5]-4:C[5,6]-4:O[3]-2:H-1:	C[3,5]-4:C[5,6]-4:O[3]-2:H-1:	O[3](C[3,5]C[3,5]C[5,6]H)2	C[3,5](C[3,5]C[5,6]O[3]H)(C[5,6]N[5,6]C[6]H)(O[3]C[3,5])(H)	C[3,5](C[3,5]C[5,6]O[3]H)(C[5,6]N[5,6]C[6]H)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5,6]H)2{1|N<4>,2|C<4>,2|H<1>}	C[3,5](C[3,5]C[5,6]O[3]H)(C[5,6]N[5,6]C[6]H)(O[3]C[3,5])(H){3|H<1>,4|C<4>}	C[3,5](C[3,5]C[5,6]O[3]H)(C[5,6]N[5,6]C[6]H)(O[3]C[3,5])(H){3|H<1>,4|C<4>}	59.6958	0.455	3	59.6958	0.207	3	60.1687	0.191	9	60.2566	0.330	48	60.5614	0.451	126	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5]	C[3,5]	4:4:	4:4:2:1:	4:4:2:1:	C[3,5]-4:C[3,5]-4:	C[3,5]-4:C[5,6]-4:O[3]-2:H-1:	C[3,5]-4:C[5,6]-4:O[3]-2:H-1:	O[3](C[3,5]C[3,5]C[5,6]H)2	C[3,5](C[3,5]C[5,6]O[3]H)(C[5,6]O[5,6]C[6]H)(O[3]C[3,5])(H)	C[3,5](C[3,5]C[5,6]O[3]H)(C[5,6]O[5,6]C[6]H)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5,6]H)2{1|O<2>,2|C<4>,2|H<1>}	C[3,5](C[3,5]C[5,6]O[3]H)(C[5,6]O[5,6]C[6]H)(O[3]C[3,5])(H){1|C<4>,1|F<1>,1|O<2>,2|H<1>}	C[3,5](C[3,5]C[5,6]O[3]H)(C[5,6]O[5,6]C[6]H)(O[3]C[3,5])(H){1|C<4>,1|O<2>,3|H<1>}	60.3611	0.107	5	60.3611	0.011	5	60.1687	0.191	9	60.2566	0.330	48	60.5614	0.451	126	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5]	C[3,5]	4:4:	4:4:2:1:	4:4:2:1:	C[3,5]-4:C[3,5]-4:	C[3,5]-4:C[5,6]-4:O[3]-2:H-1:	C[3,5]-4:C[5,6]-4:O[3]-2:H-1:	O[3](C[3,5]C[3,5]C[5,6]H)2	C[3,5](C[3,5]C[5,6]O[3]H)(C[5,6]O[5,6]C[6]O)(O[3]C[3,5])(H)	C[3,5](C[3,5]C[5,6]O[3]H)(C[5,6]O[5,6]N[6]C)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5,6]H)2{1|N<3>,2|C<4>,2|O<2>}	C[3,5](C[3,5]C[5,6]O[3]H)(C[5,6]O[5,6]C[6]O)(O[3]C[3,5])(H){1|C<3>,1|N<3>,3|C<4>}	C[3,5](C[3,5]C[5,6]O[3]H)(C[5,6]O[5,6]N[6]C)(O[3]C[3,5])(H){1|C<3>,1|C<4>,2|O<2>}	60.6253	0.000	1	60.6253	0.000	1	60.1687	0.191	9	60.2566	0.330	48	60.5614	0.451	126	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5]	C[3,5]	4:4:	4:4:2:1:	4:4:2:1:	C[3,5]-4:C[3,5]-4:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	O[3](C[3,5]C[3,5]C[5]H)2	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]CC)(O[3]C[3,5])(H)	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]2H)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5]H)2{1|H<1>,4|C<4>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]CC)(O[3]C[3,5])(H){1|H<1>,1|O<2>,2|C<4>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]2H)(O[3]C[3,5])(H){2|O<2>,5|C<4>}	59.5883	0.260	2	59.5883	0.068	2	60.1628	0.398	28	60.2566	0.330	48	60.5614	0.451	126	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5]	C[3,5]	4:4:	4:4:2:1:	4:4:2:1:	C[3,5]-4:C[3,5]-4:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	O[3](C[3,5]C[3,5]C[5]H)2	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]CC)(O[3]C[3,5])(H)	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]CH)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5]H)2{1|C<3>,1|H<1>,3|C<4>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]CC)(O[3]C[3,5])(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]CH)(O[3]C[3,5])(H){1|O<2>,3|C<4>}	59.8391	0.127	2	59.5906	0.055	10	60.1628	0.398	28	60.2566	0.330	48	60.5614	0.451	126	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5]	C[3,5]	4:4:	4:4:2:1:	4:4:2:1:	C[3,5]-4:C[3,5]-4:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	O[3](C[3,5]C[3,5]C[5]H)2	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]CC)(O[3]C[3,5])(H)	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]CH)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5]H)2{1|H<1>,4|C<4>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]CC)(O[3]C[3,5])(H){1|H<1>,1|O<2>,2|C<4>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]CH)(O[3]C[3,5])(H){1|O<2>,3|C<4>}	59.5285	0.216	8	59.5906	0.055	10	60.1628	0.398	28	60.2566	0.330	48	60.5614	0.451	126	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5]	C[3,5]	4:4:	4:4:2:1:	4:4:2:1:	C[3,5]-4:C[3,5]-4:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	O[3](C[3,5]C[3,5]C[5]H)2	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]CH)(O[3]C[3,5])(H)	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]HN)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5]H)2{1|N<3>,2|C<4>,2|H<1>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]CH)(O[3]C[3,5])(H){1|N<3>,3|H<1>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]HN)(O[3]C[3,5])(H){1|C<4>,3|H<1>}	60.5529	0.000	1	60.5529	0.000	1	60.1628	0.398	28	60.2566	0.330	48	60.5614	0.451	126	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5]	C[3,5]	4:4:	4:4:2:1:	4:4:2:1:	C[3,5]-4:C[3,5]-4:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	O[3](C[3,5]C[3,5]C[5]H)2	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]HH)(O[3]C[3,5])(H)	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]HN)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5]H)2{1|C<4>,1|N<3>,3|H<1>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]HH)(O[3]C[3,5])(H){1|N<3>,3|H<1>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]HN)(O[3]C[3,5])(H){4|H<1>}	60.5656	0.269	3	60.5656	0.072	3	60.1628	0.398	28	60.2566	0.330	48	60.5614	0.451	126	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5]	C[3,5]	4:4:	4:4:2:1:	4:4:2:1:	C[3,5]-4:C[3,5]-4:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	O[3](C[3,5]C[3,5]C[5]H)2	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]HN)(O[3]C[3,5])(H)	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]HO)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5]H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]HN)(O[3]C[3,5])(H){1|O<2>,3|H<1>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]HO)(O[3]C[3,5])(H){1|N<3>,3|H<1>}	59.9037	0.000	1	59.9037	0.000	1	60.1628	0.398	28	60.2566	0.330	48	60.5614	0.451	126	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5]	C[3,5]	4:4:	4:4:2:1:	4:4:2:1:	C[3,5]-4:C[3,5]-4:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	O[3](C[3,5]C[3,5]C[5]H)2	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]O[5]H)(O[3]C[3,5])(H)	C[3,5](C[3,5]C[5]O[3]H)(C[5]O[5]HS)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5]H)2{1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]O[5]H)(O[3]C[3,5])(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]O[5]HS)(O[3]C[3,5])(H){1|C<4>,1|H<1>}	61.0158	0.000	1	61.0158	0.000	1	60.1628	0.398	28	60.2566	0.330	48	60.5614	0.451	126	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5]	C[3,5]	4:4:	4:4:2:1:	4:4:2:1:	C[3,5]-4:C[3,5]-4:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	O[3](C[3,5]C[3,5]C[5]H)2	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[6a]N[5]H)(O[3]C[3,5])(H)	C[3,5](C[3,5]C[5]O[3]H)(C[5]N[5]HH)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5]H)2{1|C<3>,1|N<3>,3|H<1>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[6a]N[5]H)(O[3]C[3,5])(H){2|H<1>,3|C<3>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]N[5]HH)(O[3]C[3,5])(H){1|H<1>,2|C<3>}	60.5005	0.000	1	60.5005	0.000	1	60.1628	0.398	28	60.2566	0.330	48	60.5614	0.451	126	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5]	C[3,5]	4:4:	4:4:2:1:	4:4:2:1:	C[3,5]-4:C[3,5]-4:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	O[3](C[3,5]C[3,5]C[5]H)2	C[3,5](C[3,5]C[5]O[3]H)(C[5]N[5]CH)(O[3]C[3,5])(H)	C[3,5](C[3,5]C[5]O[3]H)(C[5]N[5]HH)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5]H)2{1|C<3>,1|N<3>,3|H<1>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]N[5]CH)(O[3]C[3,5])(H){1|C<3>,2|H<1>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]N[5]HH)(O[3]C[3,5])(H){1|H<1>,2|C<3>}	60.4420	0.000	1	60.4420	0.000	1	60.1628	0.398	28	60.2566	0.330	48	60.5614	0.451	126	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5]	C[3,5]	4:4:	4:4:2:1:	4:4:2:1:	C[3,5]-4:C[3,5]-4:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	O[3](C[3,5]C[3,5]C[5]H)2	C[3,5](C[3,5]C[5]O[3]H)(C[5]N[5]HH)(O[3]C[3,5])(H)	C[3,5](C[3,5]C[5]O[3]H)(C[5]N[5]CH)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5]H)2{1|C<4>,1|N<3>,3|H<1>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]N[5]HH)(O[3]C[3,5])(H){1|C<4>,1|H<1>,1|S<4>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]N[5]CH)(O[3]C[3,5])(H){1|S<4>,2|H<1>}	60.6763	0.383	2	60.6763	0.147	2	60.1628	0.398	28	60.2566	0.330	48	60.5614	0.451	126	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5]	C[3,5]	4:4:	4:4:2:1:	4:4:2:1:	C[3,5]-4:C[3,5]-4:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	O[3](C[3,5]C[3,5]C[5]H)2	C[3,5](C[3,5]C[5]O[3]H)(C[5]N[5a]O[5]H)(O[3]C[3,5])(H)	C[3,5](C[3,5]C[5]O[3]H)(C[5]O[5]CH)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5]H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]N[5a]O[5]H)(O[3]C[3,5])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]O[5]CH)(O[3]C[3,5])(H){1|H<1>,1|N<3>}	60.7329	1.012	3	60.7329	1.025	3	60.1628	0.398	28	60.2566	0.330	48	60.5614	0.451	126	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5]	C[3,5]	4:4:	4:4:2:1:	4:4:2:1:	C[3,5]-4:C[3,5]-4:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	O[3](C[3,5]C[3,5]C[5]H)2	C[3,5](C[3,5]C[5]O[3]H)(C[5]N[6a]O[5]H)(O[3]C[3,5])(H)	C[3,5](C[3,5]C[5]O[3]H)(C[5]O[5]CH)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5]H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]N[6a]O[5]H)(O[3]C[3,5])(H){1|C<4>,1|H<1>,2|C<3>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]O[5]CH)(O[3]C[3,5])(H){1|H<1>,1|N<3>}	60.4846	0.000	1	60.4846	0.000	1	60.1628	0.398	28	60.2566	0.330	48	60.5614	0.451	126	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5]	C[3,5]	4:4:	4:4:2:1:	4:4:2:1:	C[3,5]-4:C[3,5]-4:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	O[3](C[3,5]C[3,5]C[5]H)2	C[3,5](C[3,5]C[5]O[3]H)(C[5]O[5]CH)(O[3]C[3,5])(H)	C[3,5](C[3,5]C[5]O[3]H)(C[5]O[5]HS)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5]H)2{1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]O[5]CH)(O[3]C[3,5])(H){1|H<1>,1|S<2>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]O[5]HS)(O[3]C[3,5])(H){1|C<4>,1|H<1>}	60.3703	0.000	1	60.3703	0.000	1	60.1628	0.398	28	60.2566	0.330	48	60.5614	0.451	126	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5]	C[3,5]	4:4:	4:4:2:1:	4:4:2:1:	C[3,5]-4:C[3,5]-4:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	O[3](C[3,5]C[3,5]C[5]H)2	C[3,5](C[3,5]C[5]O[3]H)(C[5]P[5]HH)(O[3]C[3,5])(H)	C[3,5](C[3,5]C[5]O[3]H)(C[5]P[5]HH)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5]H)2{1|P<4>,4|H<1>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]P[5]HH)(O[3]C[3,5])(H){1|N<3>,1|O<1>,2|H<1>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]P[5]HH)(O[3]C[3,5])(H){1|N<3>,1|O<1>,2|H<1>}	60.9578	0.000	1	60.9578	0.000	1	60.1628	0.398	28	60.2566	0.330	48	60.5614	0.451	126	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5]	C[3,5]	4:4:	4:4:2:1:	4:4:2:1:	C[3,5]-4:C[3,5]-4:	C[5,5]-4:C[3,5]-4:O[3]-2:H-1:	C[3,5]-4:C[5,6]-4:O[3]-2:H-1:	O[3](C[3,5]C[3,5]C[5,5]H)(C[3,5]C[3,5]C[5,6]H)	C[3,5](C[5,5]C[5,6]C[5]O[5])(C[3,5]C[5,6]O[3]H)(O[3]C[3,5])(H)	C[3,5](C[3,5]C[5,5]O[3]H)(C[5,6]C[5,6]2O)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5,5]H)(C[3,5]C[3,5]C[5,6]H){2|O<2>,3|C<4>}	C[3,5](C[5,5]C[5,6]C[5]O[5])(C[3,5]C[5,6]O[3]H)(O[3]C[3,5])(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[3,5](C[3,5]C[5,5]O[3]H)(C[5,6]C[5,6]2O)(O[3]C[3,5])(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	60.7432	0.106	2	60.6356	0.223	6	60.6356	0.223	6	60.2566	0.330	48	60.5614	0.451	126	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5]	C[3,5]	4:4:	4:4:2:1:	4:4:2:1:	C[3,5]-4:C[3,5]-4:	C[5,5]-4:C[3,5]-4:O[3]-2:H-1:	C[3,5]-4:C[5,6]-4:O[3]-2:H-1:	O[3](C[3,5]C[3,5]C[5,5]H)(C[3,5]C[3,5]C[5,6]H)	C[3,5](C[5,5]C[5,6]C[5]O[5])(C[3,5]C[5,6]O[3]H)(O[3]C[3,5])(H)	C[3,5](C[3,5]C[5,5]O[3]H)(C[5,6]C[5,6]2O)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5,5]H)(C[3,5]C[3,5]C[5,6]H){2|O<2>,3|C<4>}	C[3,5](C[5,5]C[5,6]C[5]O[5])(C[3,5]C[5,6]O[3]H)(O[3]C[3,5])(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[3,5](C[3,5]C[5,5]O[3]H)(C[5,6]C[5,6]2O)(O[3]C[3,5])(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	60.5817	0.597	4	60.6356	0.223	6	60.6356	0.223	6	60.2566	0.330	48	60.5614	0.451	126	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5]	C[3,5]	4:4:	4:4:2:1:	4:4:2:1:	C[3,5]-4:C[3,5]-4:	C[5,5]-4:C[3,5]-4:O[3]-2:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	O[3](C[3,5]C[3,5]C[5,5]H)(C[3,5]C[3,5]C[5]H)	C[3,5](C[5,5]C[5,5]C[5]H)(C[3,5]C[5]O[3]H)(O[3]C[3,5])(H)	C[3,5](C[3,5]C[5,5]O[3]H)(C[5]C[5,5]HH)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5,5]H)(C[3,5]C[3,5]C[5]H){2|C<4>,3|H<1>}	C[3,5](C[5,5]C[5,5]C[5]H)(C[3,5]C[5]O[3]H)(O[3]C[3,5])(H){1|C<3>,1|O<2>,5|H<1>}	C[3,5](C[3,5]C[5,5]O[3]H)(C[5]C[5,5]HH)(O[3]C[3,5])(H){1|C<4>,1|O<2>,2|H<1>}	60.0572	0.000	1	60.0572	0.000	1	60.0481	0.000	2	60.2566	0.330	48	60.5614	0.451	126	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5]	C[3,5]	4:4:	4:4:2:1:	4:4:2:1:	C[3,5]-4:C[3,5]-4:	C[5,5]-4:C[3,5]-4:O[3]-2:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	O[3](C[3,5]C[3,5]C[5,5]H)(C[3,5]C[3,5]C[5]H)	C[3,5](C[5,5]N[5,5]C[5]H)(C[3,5]C[5]O[3]H)(O[3]C[3,5])(H)	C[3,5](C[3,5]C[5,5]O[3]H)(C[5]N[5,5]HH)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5,5]H)(C[3,5]C[3,5]C[5]H){1|C<4>,1|N<3>,3|H<1>}	C[3,5](C[5,5]N[5,5]C[5]H)(C[3,5]C[5]O[3]H)(O[3]C[3,5])(H){1|O<2>,2|C<4>,3|H<1>}	C[3,5](C[3,5]C[5,5]O[3]H)(C[5]N[5,5]HH)(O[3]C[3,5])(H){1|H<1>,2|C<4>}	60.0390	0.000	1	60.0390	0.000	1	60.0481	0.000	2	60.2566	0.330	48	60.5614	0.451	126	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5]	C[3,5]	4:4:	4:4:2:1:	4:4:2:1:	C[3,5]-4:C[3,5]-4:	C[5,6,6]-4:C[3,5]-4:O[3]-2:H-1:	C[3,5]-4:C[5,6]-4:O[3]-2:H-1:	O[3](C[3,5]C[5,6,6]C[3,5]H)(C[3,5]C[3,5]C[5,6]H)	C[3,5](C[5,6,6]C[5,6]C[6,6]C[6])(C[3,5]C[5,6]O[3]H)(O[3]C[3,5])(H)	C[3,5](C[3,5]C[5,6,6]O[3]H)(C[5,6]C[5,6]C[6]C)(O[3]C[3,5])(H)	O[3](C[3,5]C[5,6,6]C[3,5]H)(C[3,5]C[3,5]C[5,6]H){5|C<4>}	C[3,5](C[5,6,6]C[5,6]C[6,6]C[6])(C[3,5]C[5,6]O[3]H)(O[3]C[3,5])(H){1|C<3>,4|H<1>,5|C<4>}	C[3,5](C[3,5]C[5,6,6]O[3]H)(C[5,6]C[5,6]C[6]C)(O[3]C[3,5])(H){3|C<4>,4|H<1>}	60.8755	0.000	1	60.8755	0.000	1	60.8755	0.000	1	60.2566	0.330	48	60.5614	0.451	126	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5]	C[3,5]	4:4:	4:4:2:1:	4:4:2:1:	C[3,5]-4:C[3,5]-4:	C[5,6]-4:C[3,5]-4:O[3]-2:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	O[3](C[3,5]C[3,5]C[5,6]H)(C[3,5]C[3,5]C[5]H)	C[3,5](C[5,6]C[5,6]C[6,6]H)(C[3,5]C[5]O[3]H)(O[3]C[3,5])(H)	C[3,5](C[3,5]C[5,6]O[3]H)(C[5]C[5,6]C[6a]H)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5,6]H)(C[3,5]C[3,5]C[5]H){1|C<3>,2|C<4>,2|H<1>}	C[3,5](C[5,6]C[5,6]C[6,6]H)(C[3,5]C[5]O[3]H)(O[3]C[3,5])(H){1|C<3>,2|H<1>,4|C<4>}	C[3,5](C[3,5]C[5,6]O[3]H)(C[5]C[5,6]C[6a]H)(O[3]C[3,5])(H){1|H<1>,2|C<3>,3|C<4>}	60.8785	0.000	1	60.8785	0.000	1	60.8785	0.000	1	60.2566	0.330	48	60.5614	0.451	126	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5]	C[3,5]	4:4:	4:4:2:1:	4:4:2:3:	C[3,5]-4:C[3,5]-4:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:C[6]-4:O[3]-2:C[5]-3:	O[3](C[3,5]C[3,5]C[5]C[6])(C[3,5]C[3,5]C[5]H)	C[3,5](C[3,5]C[5]C[6]O[3])(C[5]C[5]CH)(O[3]C[3,5])(H)	C[3,5](C[3,5]C[5]O[3]H)(C[6]C[6]2O)(O[3]C[3,5])(C[5]C[5]O)	O[3](C[3,5]C[3,5]C[5]C[6])(C[3,5]C[3,5]C[5]H){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[3,5](C[3,5]C[5]C[6]O[3])(C[5]C[5]CH)(O[3]C[3,5])(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[3,5](C[3,5]C[5]O[3]H)(C[6]C[6]2O)(O[3]C[3,5])(C[5]C[5]O){4|C<4>,6|H<1>}	60.1275	0.000	1	60.1275	0.000	1	60.1275	0.000	1	60.1275	0.000	1	60.5614	0.451	126	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5]	C[3,5]	4:4:	4:4:2:1:	4:4:2:4:	C[3,5]-4:C[3,5]-4:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:C[5]-4:O[3]-2:C-4:	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[6a]O[5]H)(O[3]C[3,5])(H)	C[3,5](C[3,5]C[5]O[3]H)(C[5]O[5]HH)(O[3]C[3,5])(CH3)	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H){1|C<3>,1|O<2>,3|H<1>}	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[6a]O[5]H)(O[3]C[3,5])(H){2|C<3>,2|H<1>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]O[5]HH)(O[3]C[3,5])(CH3){1|C<3>,1|H<1>}	60.2229	1.987	2	60.2229	3.946	2	60.2611	1.978	3	60.2867	1.321	4	60.5614	0.451	126	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5]	C[3,5]	4:4:	4:4:2:1:	4:4:2:4:	C[3,5]-4:C[3,5]-4:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:C[5]-4:O[3]-2:C-4:	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)	C[3,5](C[3,5]C[5]O[3]C)(C[5]N[5]HH)(O[3]C[3,5])(H)	C[3,5](C[3,5]C[5]O[3]H)(C[5]N[5]CH)(O[3]C[3,5])(CH3)	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H){1|C<4>,1|N<3>,3|H<1>}	C[3,5](C[3,5]C[5]O[3]C)(C[5]N[5]HH)(O[3]C[3,5])(H){1|C<4>,1|H<1>,1|S<4>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]N[5]CH)(O[3]C[3,5])(CH3){1|S<4>,2|H<1>}	60.3374	0.000	1	60.3374	0.000	1	60.2611	1.978	3	60.2867	1.321	4	60.5614	0.451	126	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5]	C[3,5]	4:4:	4:4:2:1:	4:4:2:4:	C[3,5]-4:C[3,5]-4:	C[5,6,6]-4:C[3,5]-4:O[3]-2:H-1:	C[3,5]-4:C[5,6]-4:O[3]-2:C-4:	O[3](C[3,5]C[5,6,6]C[3,5]H)(C[3,5]C[3,5]C[5,6]C)	C[3,5](C[5,6,6]C[5,6]C[6,6]C[6])(C[3,5]C[5,6]O[3]C)(O[3]C[3,5])(H)	C[3,5](C[3,5]C[5,6,6]O[3]H)(C[5,6]C[5,6]C[6]O)(O[3]C[3,5])(CH3)	O[3](C[3,5]C[5,6,6]C[3,5]H)(C[3,5]C[3,5]C[5,6]C){1|O<2>,4|C<4>}	C[3,5](C[5,6,6]C[5,6]C[6,6]C[6])(C[3,5]C[5,6]O[3]C)(O[3]C[3,5])(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[3,5](C[3,5]C[5,6,6]O[3]H)(C[5,6]C[5,6]C[6]O)(O[3]C[3,5])(CH3){1|C<3>,2|C<4>,4|H<1>}	60.3634	0.000	1	60.3634	0.000	1	60.3634	0.000	1	60.2867	1.321	4	60.5614	0.451	126	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5]	C[3,5]	4:4:	4:4:2:1:	4:4:3:2:	C[3,5]-4:C[3,5]-4:	C[5,6]-4:C[3,5]-4:O[3]-2:H-1:	C[3,5]-4:C[5,6]-4:C[6a]-3:O[3]-2:	O[3](C[3,5]C[3,5]C[5,6]C[6a])(C[3,5]C[3,5]C[5,6]H)	C[3,5](C[5,6]C[4,5,6,6]C[5,6]H)(C[3,5]C[5,6]C[6a]O[3])(O[3]C[3,5])(H)	C[3,5](C[3,5]C[5,6]O[3]H)(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[3]C[3,5])	O[3](C[3,5]C[3,5]C[5,6]C[6a])(C[3,5]C[3,5]C[5,6]H){2|C<3>,2|H<1>,3|C<4>}	C[3,5](C[5,6]C[4,5,6,6]C[5,6]H)(C[3,5]C[5,6]C[6a]O[3])(O[3]C[3,5])(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[3,5](C[3,5]C[5,6]O[3]H)(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[3]C[3,5]){2|C<3>,3|C<4>,6|H<1>}	60.9256	0.000	1	60.9256	0.000	1	60.9256	0.000	1	60.9256	0.000	1	60.5614	0.451	126	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5]	C[3,5]	4:4:	4:4:2:3:	4:4:2:1:	C[3,5]-4:C[3,5]-4:	C[3,5]-4:C[5]-4:O[3]-2:C[5]-3:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	O[3](C[3,5]C[3,5]C[5]2)(C[3,5]C[3,5]C[5]H)	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]CO)(O[3]C[3,5])(C[5]C[5]2)	C[3,5](C[3,5]C[5]2O[3])(C[5]C[5]CC)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5]2)(C[3,5]C[3,5]C[5]H){1|C<3>,1|O<2>,5|C<4>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]CO)(O[3]C[3,5])(C[5]C[5]2){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[3,5](C[3,5]C[5]2O[3])(C[5]C[5]CC)(O[3]C[3,5])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	61.2633	0.000	1	61.2633	0.000	1	61.2633	0.000	1	61.5573	0.129	13	60.5614	0.451	126	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5]	C[3,5]	4:4:	4:4:2:3:	4:4:2:1:	C[3,5]-4:C[3,5]-4:	C[5,5]-4:C[3,5]-4:O[3]-2:C-3:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	O[3](C[3,5]C[3,5]C[5,5]C)(C[3,5]C[3,5]C[5]H)	C[3,5](C[5,5]C[5,5]C[5]H)(C[3,5]C[5]O[3]H)(O[3]C[3,5])(COO)	C[3,5](C[3,5]C[5,5]O[3]C)(C[5]C[5,5]CH)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5,5]C)(C[3,5]C[3,5]C[5]H){2|H<1>,3|C<4>}	C[3,5](C[5,5]C[5,5]C[5]H)(C[3,5]C[5]O[3]H)(O[3]C[3,5])(COO){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[3,5](C[3,5]C[5,5]O[3]C)(C[5]C[5,5]CH)(O[3]C[3,5])(H){1|C<3>,1|C<4>,2|H<1>}	60.7998	0.000	1	60.7998	0.000	1	60.7998	0.000	1	61.5573	0.129	13	60.5614	0.451	126	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5]	C[3,5]	4:4:	4:4:2:3:	4:4:2:1:	C[3,5]-4:C[3,5]-4:	C[5,6]-4:C[3,5]-4:O[3]-2:C-3:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	O[3](C[3,5]C[3,5]C[5,6]C)(C[3,5]C[3,5]C[5]H)	C[3,5](C[5,6]C[5,6]C[6]C)(C[3,5]C[5]O[3]H)(O[3]C[3,5])(CCO)	C[3,5](C[3,5]C[5,6]O[3]C)(C[5]C[5,6]HH)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5,6]C)(C[3,5]C[3,5]C[5]H){2|H<1>,3|C<4>}	C[3,5](C[5,6]C[5,6]C[6]C)(C[3,5]C[5]O[3]H)(O[3]C[3,5])(CCO){1|C<3>,1|C<4>,5|H<1>}	C[3,5](C[3,5]C[5,6]O[3]C)(C[5]C[5,6]HH)(O[3]C[3,5])(H){1|H<1>,3|C<4>}	61.3445	0.000	1	61.6446	0.087	10	61.6529	0.079	11	61.5573	0.129	13	60.5614	0.451	126	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5]	C[3,5]	4:4:	4:4:2:3:	4:4:2:1:	C[3,5]-4:C[3,5]-4:	C[5,6]-4:C[3,5]-4:O[3]-2:C-3:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	O[3](C[3,5]C[3,5]C[5,6]C)(C[3,5]C[3,5]C[5]H)	C[3,5](C[5,6]C[5,6]C[6]C)(C[3,5]C[5]O[3]H)(O[3]C[3,5])(CCO)	C[3,5](C[3,5]C[5,6]O[3]C)(C[5]C[5,6]HH)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5,6]C)(C[3,5]C[3,5]C[5]H){2|H<1>,3|C<4>}	C[3,5](C[5,6]C[5,6]C[6]C)(C[3,5]C[5]O[3]H)(O[3]C[3,5])(CCO){2|C<4>,5|H<1>}	C[3,5](C[3,5]C[5,6]O[3]C)(C[5]C[5,6]HH)(O[3]C[3,5])(H){1|H<1>,3|C<4>}	61.6780	0.292	9	61.6446	0.087	10	61.6529	0.079	11	61.5573	0.129	13	60.5614	0.451	126	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5]	C[3,5]	4:4:	4:4:2:3:	4:4:2:1:	C[3,5]-4:C[3,5]-4:	C[5,6]-4:C[3,5]-4:O[3]-2:C-3:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	O[3](C[3,5]C[3,5]C[5,6]C)(C[3,5]C[3,5]C[5]H)	C[3,5](C[5,6]C[5,6]C[6]C)(C[3,5]C[5]O[3]H)(O[3]C[3,5])(CCO)	C[3,5](C[3,5]C[5,6]O[3]C)(C[5]C[5,6]HO)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5,6]C)(C[3,5]C[3,5]C[5]H){1|H<1>,1|O<2>,3|C<4>}	C[3,5](C[5,6]C[5,6]C[6]C)(C[3,5]C[5]O[3]H)(O[3]C[3,5])(CCO){1|O<2>,2|C<4>,4|H<1>}	C[3,5](C[3,5]C[5,6]O[3]C)(C[5]C[5,6]HO)(O[3]C[3,5])(H){1|H<1>,3|C<4>}	61.7352	0.000	1	61.7352	0.000	1	61.6529	0.079	11	61.5573	0.129	13	60.5614	0.451	126	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5]	C[3,5]	4:4:	4:4:2:4:	4:4:2:1:	C[3,5]-4:C[3,5]-4:	C[3,5]-4:C[3,5]-4:O[3]-2:C-4:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	O[3](C[3,5]C[3,5]C[5]H)(C[3,5]C[3,5]2C)	C[3,5](C[3,5]C[3,5]O[3]C)(C[3,5]C[5]O[3]H)(O[3]C[3,5])(CCCH)	C[3,5](C[3,5]C[3,5]O[3]C)(C[5]C[3,5]HH)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5]H)(C[3,5]C[3,5]2C){1|O<2>,2|C<4>,2|H<1>}	C[3,5](C[3,5]C[3,5]O[3]C)(C[3,5]C[5]O[3]H)(O[3]C[3,5])(CCCH){1|C<4>,2|H<1>}	C[3,5](C[3,5]C[3,5]O[3]C)(C[5]C[3,5]HH)(O[3]C[3,5])(H){1|O<2>,2|C<4>}	61.2849	0.000	1	61.2849	0.000	1	61.2849	0.000	1	60.6954	0.293	17	60.5614	0.451	126	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5]	C[3,5]	4:4:	4:4:2:4:	4:4:2:1:	C[3,5]-4:C[3,5]-4:	C[3,5]-4:C[5]-4:O[3]-2:C-4:	C[3,5]-4:C[5,6]-4:O[3]-2:H-1:	O[3](C[3,5]C[3,5]C[5,6]H)(C[3,5]C[3,5]C[5]C)	C[3,5](C[3,5]C[5,6]O[3]H)(C[5]C[5]HH)(O[3]C[3,5])(CCCH)	C[3,5](C[3,5]C[5]O[3]C)(C[5,6]C[5]C[6]2)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5,6]H)(C[3,5]C[3,5]C[5]C){1|C<3>,2|C<4>,2|H<1>}	C[3,5](C[3,5]C[5,6]O[3]H)(C[5]C[5]HH)(O[3]C[3,5])(CCCH){1|C<3>,1|C<4>,2|H<1>}	C[3,5](C[3,5]C[5]O[3]C)(C[5,6]C[5]C[6]2)(O[3]C[3,5])(H){1|O<1>,2|C<4>,6|H<1>}	61.3117	0.000	1	61.3117	0.000	1	61.3117	0.000	1	60.6954	0.293	17	60.5614	0.451	126	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5]	C[3,5]	4:4:	4:4:2:4:	4:4:2:1:	C[3,5]-4:C[3,5]-4:	C[3,5]-4:C[5]-4:O[3]-2:C-4:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]2H)(O[3]C[3,5])(CH3)	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[5]HH)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H){1|C<3>,1|C<4>,3|H<1>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]2H)(O[3]C[3,5])(CH3){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[5]HH)(O[3]C[3,5])(H){1|C<3>,1|C<4>,1|H<1>}	60.6709	0.000	1	60.6709	0.000	1	60.3737	0.123	9	60.6954	0.293	17	60.5614	0.451	126	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5]	C[3,5]	4:4:	4:4:2:4:	4:4:2:1:	C[3,5]-4:C[3,5]-4:	C[3,5]-4:C[5]-4:O[3]-2:C-4:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]CC)(O[3]C[3,5])(CCHH)	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[5]HH)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H){2|H<1>,3|C<4>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]CC)(O[3]C[3,5])(CCHH){1|C<4>,3|H<1>}	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[5]HH)(O[3]C[3,5])(H){1|H<1>,3|C<4>}	59.6067	0.000	1	59.6067	0.000	1	60.3737	0.123	9	60.6954	0.293	17	60.5614	0.451	126	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5]	C[3,5]	4:4:	4:4:2:4:	4:4:2:1:	C[3,5]-4:C[3,5]-4:	C[3,5]-4:C[5]-4:O[3]-2:C-4:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]HH)(O[3]C[3,5])(CH3)	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[5]HN)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H){1|C<4>,1|N<3>,3|H<1>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]HH)(O[3]C[3,5])(CH3){1|N<3>,3|H<1>}	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[5]HN)(O[3]C[3,5])(H){4|H<1>}	60.6027	0.161	3	60.6027	0.026	3	60.3737	0.123	9	60.6954	0.293	17	60.5614	0.451	126	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5]	C[3,5]	4:4:	4:4:2:4:	4:4:2:1:	C[3,5]-4:C[3,5]-4:	C[3,5]-4:C[5]-4:O[3]-2:C-4:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)	C[3,5](C[3,5]C[5]O[3]H)(C[5]N[5]CH)(O[3]C[3,5])(CH3)	C[3,5](C[3,5]C[5]O[3]C)(C[5]N[5]CH)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H){1|N<3>,2|C<4>,2|H<1>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]N[5]CH)(O[3]C[3,5])(CH3){1|C<4>,1|H<1>,1|S<4>}	C[3,5](C[3,5]C[5]O[3]C)(C[5]N[5]CH)(O[3]C[3,5])(H){1|C<4>,1|H<1>,1|S<4>}	60.3488	0.190	3	60.3488	0.036	3	60.3737	0.123	9	60.6954	0.293	17	60.5614	0.451	126	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5]	C[3,5]	4:4:	4:4:2:4:	4:4:2:1:	C[3,5]-4:C[3,5]-4:	C[3,5]-4:C[5]-4:O[3]-2:C-4:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)	C[3,5](C[3,5]C[5]O[3]H)(C[5]N[5]HH)(O[3]C[3,5])(CH3)	C[3,5](C[3,5]C[5]O[3]C)(C[5]N[5]CH)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H){1|C<4>,1|N<3>,3|H<1>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]N[5]HH)(O[3]C[3,5])(CH3){1|C<4>,1|H<1>,1|S<4>}	C[3,5](C[3,5]C[5]O[3]C)(C[5]N[5]CH)(O[3]C[3,5])(H){1|S<4>,2|H<1>}	60.2314	0.000	1	60.2314	0.000	1	60.3737	0.123	9	60.6954	0.293	17	60.5614	0.451	126	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5]	C[3,5]	4:4:	4:4:2:4:	4:4:2:1:	C[3,5]-4:C[3,5]-4:	C[5,5]-4:C[3,5]-4:O[3]-2:C-4:	C[3,5]-4:C[5,5]-4:O[3]-2:H-1:	O[3](C[3,5]C[3,5]C[5,5]C)(C[3,5]C[3,5]C[5,5]H)	C[3,5](C[5,5]C[3x5]C[5,5]H)(C[3,5]C[5,5]O[3]H)(O[3]C[3,5])(CH3)	C[3,5](C[3,5]C[5,5]O[3]C)(C[5,5]C[3x5]O[5]H)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5,5]C)(C[3,5]C[3,5]C[5,5]H){1|O<2>,2|C<4>,2|H<1>}	C[3,5](C[5,5]C[3x5]C[5,5]H)(C[3,5]C[5,5]O[3]H)(O[3]C[3,5])(CH3){1|H<1>,3|C<4>,3|O<2>}	C[3,5](C[3,5]C[5,5]O[3]C)(C[5,5]C[3x5]O[5]H)(O[3]C[3,5])(H){1|H<1>,4|C<4>}	60.5922	0.000	1	60.5922	0.000	1	60.5922	0.000	1	60.6954	0.293	17	60.5614	0.451	126	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5]	C[3,5]	4:4:	4:4:2:4:	4:4:2:1:	C[3,5]-4:C[3,5]-4:	C[5,5]-4:C[3,5]-4:O[3]-2:C-4:	C[5,5]-4:C[3,5]-4:O[3]-2:H-1:	O[3](C[3,5]C[3,5]C[5,5]C)(C[3,5]C[3,5]C[5,5]H)	C[3,5](C[5,5]C[3x5,6]C[5,5]H)(C[3,5]C[5,5]O[3]H)(O[3]C[3,5])(CH3)	C[3,5](C[5,5]C[3x5,6]O[5]H)(C[3,5]C[5,5]O[3]C)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5,5]C)(C[3,5]C[3,5]C[5,5]H){1|O<2>,2|C<4>,2|H<1>}	C[3,5](C[5,5]C[3x5,6]C[5,5]H)(C[3,5]C[5,5]O[3]H)(O[3]C[3,5])(CH3){1|H<1>,3|C<4>,3|O<2>}	C[3,5](C[5,5]C[3x5,6]O[5]H)(C[3,5]C[5,5]O[3]C)(O[3]C[3,5])(H){1|H<1>,4|C<4>}	60.6796	0.000	1	60.6796	0.000	1	60.6796	0.000	1	60.6954	0.293	17	60.5614	0.451	126	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5]	C[3,5]	4:4:	4:4:2:4:	4:4:2:1:	C[3,5]-4:C[3,5]-4:	C[5,6]-4:C[3,5]-4:O[3]-2:C-4:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	O[3](C[3,5]C[3,5]C[5,6]C)(C[3,5]C[3,5]C[5]H)	C[3,5](C[5,6]C[5,6]C[6]C)(C[3,5]C[5]O[3]H)(O[3]C[3,5])(CCHO)	C[3,5](C[3,5]C[5,6]O[3]C)(C[5]C[5,6]HH)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5,6]C)(C[3,5]C[3,5]C[5]H){2|H<1>,3|C<4>}	C[3,5](C[5,6]C[5,6]C[6]C)(C[3,5]C[5]O[3]H)(O[3]C[3,5])(CCHO){1|C<3>,2|C<4>,4|H<1>}	C[3,5](C[3,5]C[5,6]O[3]C)(C[5]C[5,6]HH)(O[3]C[3,5])(H){4|C<4>}	61.3410	0.000	1	61.3410	0.000	1	61.1206	0.097	2	60.6954	0.293	17	60.5614	0.451	126	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5]	C[3,5]	4:4:	4:4:2:4:	4:4:2:1:	C[3,5]-4:C[3,5]-4:	C[5,6]-4:C[3,5]-4:O[3]-2:C-4:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	O[3](C[3,5]C[3,5]C[5,6]C)(C[3,5]C[3,5]C[5]H)	C[3,5](C[5,6]C[5,6]C[6]C)(C[3,5]C[5]O[3]H)(O[3]C[3,5])(CC[6]CH)	C[3,5](C[3,5]C[5,6]O[3]C)(C[5]C[5,6]HO)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5,6]C)(C[3,5]C[3,5]C[5]H){1|H<1>,1|O<2>,3|C<4>}	C[3,5](C[5,6]C[5,6]C[6]C)(C[3,5]C[5]O[3]H)(O[3]C[3,5])(CC[6]CH){2|C<4>,2|O<2>,3|H<1>}	C[3,5](C[3,5]C[5,6]O[3]C)(C[5]C[5,6]HO)(O[3]C[3,5])(H){1|O<2>,3|C<4>}	60.9002	0.000	1	60.9002	0.000	1	61.1206	0.097	2	60.6954	0.293	17	60.5614	0.451	126	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5]	C[3,5]	4:4:	4:4:2:4:	4:4:2:1:	C[3,5]-4:C[3,5]-4:	C[5,6]-4:C[3,5]-4:O[3]-2:C-4:	C[3,5]-4:P[5]-4:O[3]-2:H-1:	O[3](C[3,5]C[3,5]C[5,6]C)(C[3,5]C[3,5]P[5]H)	C[3,5](C[5,6]C[3,6]C[5,6]C)(C[3,5]O[3]P[5]H)(O[3]C[3,5])(CH3)	C[3,5](C[3,5]C[5,6]O[3]C)(P[5]C[5,6]C[6a]W)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5,6]C)(C[3,5]C[3,5]P[5]H){1|W<6>,2|C<3>,2|C<4>}	C[3,5](C[5,6]C[3,6]C[5,6]C)(C[3,5]O[3]P[5]H)(O[3]C[3,5])(CH3){1|C<4>,1|O<2>,1|W<6>,3|C<3>}	C[3,5](C[3,5]C[5,6]O[3]C)(P[5]C[5,6]C[6a]W)(O[3]C[3,5])(H){2|C<4>,3|C<3>}	61.9236	0.000	1	61.9236	0.000	1	61.9236	0.000	1	60.6954	0.293	17	60.5614	0.451	126	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5]	C[3,5]	4:4:	4:4:2:4:	4:4:2:1:	C[3,5]-4:C[3,5]-4:	C[5]-4:C[3,5]-4:O[3]-2:C-4:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)	C[3,5](C[5]C[5,5]C[6a]H)(C[3,5]C[5]O[3]H)(O[3]C[3,5])(CH3)	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[5,5]HH)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H){1|C<3>,1|C<4>,3|H<1>}	C[3,5](C[5]C[5,5]C[6a]H)(C[3,5]C[5]O[3]H)(O[3]C[3,5])(CH3){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[5,5]HH)(O[3]C[3,5])(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	60.4258	0.000	1	60.4258	0.000	1	60.4258	0.000	1	60.6954	0.293	17	60.5614	0.451	126	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5]	C[3,5]	4:4:	4:4:2:4:	4:4:2:4:	C[3,5]-4:C[3,5]-4:	C[3,5]-4:C[5]-4:O[3]-2:C-4:	C[3,5]-4:C[3,5]-4:O[3]-2:C-4:	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]2C)	C[3,5](C[3,5]C[3,5]O[3]C)(C[5]C[3,5]HH)(O[3]C[3,5])(CH3)	C[3,5](C[3,5]C[3,5]O[3]C)(C[3,5]C[5]O[3]C)(O[3]C[3,5])(CC[5]HH)	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]2C){1|O<2>,2|C<4>,2|H<1>}	C[3,5](C[3,5]C[3,5]O[3]C)(C[5]C[3,5]HH)(O[3]C[3,5])(CH3){1|C<4>,1|H<1>,1|O<2>}	C[3,5](C[3,5]C[3,5]O[3]C)(C[3,5]C[5]O[3]C)(O[3]C[3,5])(CC[5]HH){3|H<1>}	60.9244	0.000	1	60.9244	0.000	1	60.9244	0.000	1	60.0275	0.458	9	60.5614	0.451	126	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5]	C[3,5]	4:4:	4:4:2:4:	4:4:2:4:	C[3,5]-4:C[3,5]-4:	C[3,5]-4:C[5]-4:O[3]-2:C-4:	C[3,5]-4:C[5]-4:O[3]-2:C-4:	O[3](C[3,5]C[3,5]C[5]C)2	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[5]CH)(O[3]C[3,5])(CCHH)	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[5]HO)(O[3]C[3,5])(CCCH)	O[3](C[3,5]C[3,5]C[5]C)2{1|O<2>,2|C<4>,2|H<1>}	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[5]CH)(O[3]C[3,5])(CCHH){1|O<2>,3|H<1>}	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[5]HO)(O[3]C[3,5])(CCCH){1|C<4>,3|H<1>}	60.2884	0.000	1	60.2884	0.000	1	59.9154	0.394	8	60.0275	0.458	9	60.5614	0.451	126	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5]	C[3,5]	4:4:	4:4:2:4:	4:4:2:4:	C[3,5]-4:C[3,5]-4:	C[3,5]-4:C[5]-4:O[3]-2:C-4:	C[3,5]-4:C[5]-4:O[3]-2:C-4:	O[3](C[3,5]C[3,5]C[5]C)2	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[5]HH)(O[3]C[3,5])(CCCH)	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[5]CH)(O[3]C[3,5])(CCHH)	O[3](C[3,5]C[3,5]C[5]C)2{2|C<4>,3|H<1>}	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[5]HH)(O[3]C[3,5])(CCCH){1|C<4>,3|H<1>}	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[5]CH)(O[3]C[3,5])(CCHH){4|H<1>}	59.9130	0.705	6	59.9130	0.498	6	59.9154	0.394	8	60.0275	0.458	9	60.5614	0.451	126	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5]	C[3,5]	4:4:	4:4:2:4:	4:4:2:4:	C[3,5]-4:C[3,5]-4:	C[3,5]-4:C[5]-4:O[3]-2:C-4:	C[3,5]-4:C[5]-4:O[3]-2:C-4:	O[3](C[3,5]C[3,5]C[5]C)2	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[5]HH)(O[3]C[3,5])(CCCH)	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[5]CO)(O[3]C[3,5])(CCHH)	O[3](C[3,5]C[3,5]C[5]C)2{1|O<2>,2|C<4>,2|H<1>}	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[5]HH)(O[3]C[3,5])(CCCH){1|C<4>,1|O<2>,2|H<1>}	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[5]CO)(O[3]C[3,5])(CCHH){4|H<1>}	59.5562	0.000	1	59.5562	0.000	1	59.9154	0.394	8	60.0275	0.458	9	60.5614	0.451	126	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5]	C[3,5]	4:4:	4:4:2:4:	4:4:4:2:	C[3,5]-4:C[3,5]-4:	C[3,5]-4:C[5]-4:O[3]-2:C-4:	C[3,5]-4:C[3]-4:C[5]-4:O[3]-2:	O[3](C[3,5]C[3,5]C[3]C[5])(C[3,5]C[3,5]C[5]C)	C[3,5](C[3,5]C[3]C[5]O[3])(C[5]C[5]HH)(O[3]C[3,5])(CCCH)	C[3,5](C[3,5]C[5]O[3]C)(C[3]C[3]O[3]H)(C[5]C[5]CO)(O[3]C[3,5])	O[3](C[3,5]C[3,5]C[3]C[5])(C[3,5]C[3,5]C[5]C){2|O<2>,3|C<4>,3|H<1>}	C[3,5](C[3,5]C[3]C[5]O[3])(C[5]C[5]HH)(O[3]C[3,5])(CCCH){2|C<4>,2|O<2>,3|H<1>}	C[3,5](C[3,5]C[5]O[3]C)(C[3]C[3]O[3]H)(C[5]C[5]CO)(O[3]C[3,5]){2|C<4>,4|H<1>}	60.6547	0.138	2	60.6547	0.019	2	60.6070	0.016	3	60.6070	0.016	3	60.5614	0.451	126	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5]	C[3,5]	4:4:	4:4:2:4:	4:4:4:2:	C[3,5]-4:C[3,5]-4:	C[3,5]-4:C[5]-4:O[3]-2:C-4:	C[3,5]-4:C[3]-4:C[5]-4:O[3]-2:	O[3](C[3,5]C[3,5]C[3]C[5])(C[3,5]C[3,5]C[5]C)	C[3,5](C[3,5]C[3]C[5]O[3])(C[5]C[5]HH)(O[3]C[3,5])(CH3)	C[3,5](C[3,5]C[5]O[3]C)(C[3]C[3]O[3]H)(C[5]C[5]CH)(O[3]C[3,5])	O[3](C[3,5]C[3,5]C[3]C[5])(C[3,5]C[3,5]C[5]C){1|O<2>,3|C<4>,4|H<1>}	C[3,5](C[3,5]C[3]C[5]O[3])(C[5]C[5]HH)(O[3]C[3,5])(CH3){1|O<2>,2|C<4>,4|H<1>}	C[3,5](C[3,5]C[5]O[3]C)(C[3]C[3]O[3]H)(C[5]C[5]CH)(O[3]C[3,5]){1|C<4>,5|H<1>}	60.5115	0.000	1	60.5115	0.000	1	60.6070	0.016	3	60.6070	0.016	3	60.5614	0.451	126	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5]	C[3,5]	4:4:	4:4:3:2:	4:3:2:1:	C[3,5]-4:C[3,5]-4:	C[3,5]-4:C[5]-4:C[6a]-3:O[3]-2:	C[3,5]-4:C[5,6a]-3:O[3]-2:H-1:	O[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[5,6a]C[3,5]H)	C[3,5](C[3,5]C[5,6a]O[3]H)(C[5]C[5,6a]C[6a]C)(C[6a]C[6a]2)(O[3]C[3,5])	C[3,5](C[3,5]C[6a]C[5]O[3])(C[5,6a]C[5,6a]C[6a])(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[5,6a]C[3,5]H){6|C<3>}	C[3,5](C[3,5]C[5,6a]O[3]H)(C[5]C[5,6a]C[6a]C)(C[6a]C[6a]2)(O[3]C[3,5]){2|H<1>,6|C<3>}	C[3,5](C[3,5]C[6a]C[5]O[3])(C[5,6a]C[5,6a]C[6a])(O[3]C[3,5])(H){1|H<1>,6|C<3>}	60.8990	0.000	1	60.8990	0.000	1	60.8990	0.000	1	60.8990	0.000	1	60.5614	0.451	126	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5]	C[3,5]	4:4:	4:4:3:2:	4:4:2:1:	C[3,5]-4:C[3,5]-4:	C[5,6]-4:C[3,5]-4:N[5a]-3:O[3]-2:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	O[3](C[3,5]C[3,5]C[5,6]N[5a])(C[3,5]C[3,5]C[5]H)	C[3,5](C[5,6]C[5,6]C[6]C)(C[3,5]C[5]O[3]H)(N[5a]C[5a]2)(O[3]C[3,5])	C[3,5](C[3,5]C[5,6]N[5a]O[3])(C[5]C[5,6]HH)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5,6]N[5a])(C[3,5]C[3,5]C[5]H){2|C<3>,2|H<1>,3|C<4>}	C[3,5](C[5,6]C[5,6]C[6]C)(C[3,5]C[5]O[3]H)(N[5a]C[5a]2)(O[3]C[3,5]){1|C<3>,1|N<2>,2|C<4>,7|H<1>}	C[3,5](C[3,5]C[5,6]N[5a]O[3])(C[5]C[5,6]HH)(O[3]C[3,5])(H){1|H<1>,2|C<3>,3|C<4>}	60.5822	0.000	1	60.5822	0.000	1	60.5822	0.000	1	60.5822	0.000	1	60.5614	0.451	126	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5]	C[3,5]	4:4:	4:4:3:2:	4:4:2:3:	C[3,5]-4:C[3,5]-4:	C[3,5]-4:C[5]-4:C[6a]-3:O[3]-2:	C[3,5]-4:C[5]-4:O[3]-2:C-3:	O[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[3,5]C[5]C)	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[6a]O[5]O)(C[6a]C[6a]2)(O[3]C[3,5])	C[3,5](C[3,5]C[6a]C[5]O[3])(C[5]O[5]CO)(O[3]C[3,5])(CNO)	O[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[3,5]C[5]C){1|C<4>,3|C<3>,3|O<2>}	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[6a]O[5]O)(C[6a]C[6a]2)(O[3]C[3,5]){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[3,5](C[3,5]C[6a]C[5]O[3])(C[5]O[5]CO)(O[3]C[3,5])(CNO){1|O<2>,3|C<3>}	61.2040	0.000	1	61.2040	0.000	1	61.2040	0.000	1	61.2040	0.000	1	60.5614	0.451	126	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5]	C[3,5]	4:4:	4:4:4:2:	4:4:2:4:	C[3,5]-4:C[3,5]-4:	C[3,5]-4:C[5]-4:C[5]-4:O[3]-2:	C[3,5]-4:C[5]-4:O[3]-2:C-4:	O[3](C[3,5]C[3,5]C[5]2)(C[3,5]C[3,5]C[5]C)	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[5]O[5]H)(C[5]C[5]CH)(O[3]C[3,5])	C[3,5](C[3,5]C[5]2O[3])(C[5]C[5]HH)(O[3]C[3,5])(CH3)	O[3](C[3,5]C[3,5]C[5]2)(C[3,5]C[3,5]C[5]C){1|O<2>,3|C<4>,4|H<1>}	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[5]O[5]H)(C[5]C[5]CH)(O[3]C[3,5]){1|C<3>,2|C<4>,5|H<1>}	C[3,5](C[3,5]C[5]2O[3])(C[5]C[5]HH)(O[3]C[3,5])(CH3){1|O<2>,2|C<4>,4|H<1>}	60.4993	0.193	3	60.4993	0.037	3	60.4993	0.037	3	60.4993	0.037	3	60.5614	0.451	126	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5]	C[3]	4:4:	3:4:3:2:	4:2:1:1:	C[3,5]-4:C[3]-4:	C[5,6a]-3:C[3]-4:C[5]-3:O[3]-2:	C[3,5]-4:O[3]-2:H-1:H-1:	O[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]HH)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]O[3]HH)(C[5]N[5]O)(O[3]C[3])	C[3](C[3,5]C[5,6a]C[5]O[3])(O[3]C[3,5])(H)2	O[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]HH){1|N<3>,1|O<1>,2|C<3>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]O[3]HH)(C[5]N[5]O)(O[3]C[3]){2|C<3>,2|H<1>}	C[3](C[3,5]C[5,6a]C[5]O[3])(O[3]C[3,5])(H)2{1|N<3>,1|O<1>,2|C<3>}	61.5086	0.000	1	61.5086	0.000	1	61.5086	0.000	1	61.5086	0.000	1	61.2471	0.946	31	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5]	C[3]	4:4:	3:4:3:2:	4:2:3:1:	C[3,5]-4:C[3]-4:	C[5,6a]-3:C[3]-4:C[5]-3:O[3]-2:	C[3,5]-4:O[3]-2:C-3:H-1:	O[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]O[3]CH)(C[5]N[5]O)(O[3]C[3])	C[3](C[3,5]C[5,6a]C[5]O[3])(O[3]C[3,5])(CC[6a]O)(H)	O[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH){1|N<3>,1|O<1>,2|C<3>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]O[3]CH)(C[5]N[5]O)(O[3]C[3]){1|C<4>,1|H<1>,2|C<3>}	C[3](C[3,5]C[5,6a]C[5]O[3])(O[3]C[3,5])(CC[6a]O)(H){1|N<3>,1|O<1>,2|C<3>}	62.3729	0.000	1	62.8778	0.510	2	62.5488	0.196	8	62.5488	0.196	8	61.2471	0.946	31	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5]	C[3]	4:4:	3:4:3:2:	4:2:3:1:	C[3,5]-4:C[3]-4:	C[5,6a]-3:C[3]-4:C[5]-3:O[3]-2:	C[3,5]-4:O[3]-2:C-3:H-1:	O[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]O[3]CH)(C[5]N[5]O)(O[3]C[3])	C[3](C[3,5]C[5,6a]C[5]O[3])(O[3]C[3,5])(CC[6a]O)(H)	O[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH){1|N<3>,1|O<1>,2|C<3>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]O[3]CH)(C[5]N[5]O)(O[3]C[3]){2|C<3>,2|H<1>}	C[3](C[3,5]C[5,6a]C[5]O[3])(O[3]C[3,5])(CC[6a]O)(H){1|N<3>,1|O<1>,2|C<3>}	63.3827	0.000	1	62.8778	0.510	2	62.5488	0.196	8	62.5488	0.196	8	61.2471	0.946	31	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5]	C[3]	4:4:	3:4:3:2:	4:2:3:1:	C[3,5]-4:C[3]-4:	C[5,6a]-3:C[3]-4:C[5]-3:O[3]-2:	C[3,5]-4:O[3]-2:C-3:H-1:	O[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]O[3]CH)(C[5]N[5]O)(O[3]C[3])	C[3](C[3,5]C[5,6a]C[5]O[3])(O[3]C[3,5])(CNO)(H)	O[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH){1|N<3>,1|O<1>,2|C<3>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]O[3]CH)(C[5]N[5]O)(O[3]C[3]){1|C<4>,1|H<1>,2|C<3>}	C[3](C[3,5]C[5,6a]C[5]O[3])(O[3]C[3,5])(CNO)(H){1|N<3>,1|O<1>,2|C<3>}	62.5699	0.120	5	62.5699	0.014	5	62.5488	0.196	8	62.5488	0.196	8	61.2471	0.946	31	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5]	C[3]	4:4:	3:4:3:2:	4:2:3:1:	C[3,5]-4:C[3]-4:	C[5,6a]-3:C[3]-4:C[5]-3:O[3]-2:	C[3,5]-4:O[3]-2:C-3:H-1:	O[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]O[3]CH)(C[5]N[5]O)(O[3]C[3])	C[3](C[3,5]C[5,6a]C[5]O[3])(O[3]C[3,5])(COO)(H)	O[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH){1|N<3>,1|O<1>,2|C<3>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]O[3]CH)(C[5]N[5]O)(O[3]C[3]){1|C<4>,1|H<1>,2|C<3>}	C[3](C[3,5]C[5,6a]C[5]O[3])(O[3]C[3,5])(COO)(H){1|N<3>,1|O<1>,2|C<3>}	61.7854	0.000	1	61.7854	0.000	1	62.5488	0.196	8	62.5488	0.196	8	61.2471	0.946	31	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5]	C[3]	4:4:	4:3:2:2:	4:2:4:1:	C[3,5]-4:C[3]-4:	C[3]-4:C[5]-3:O[3]-2:O[5]-2:	C[3,5]-4:O[3]-2:C-4:H-1:	O[3](C[3,5]C[3]C[5]O[5])(C[3]C[3,5]CH)	C[3,5](C[3]O[3]CH)(C[5]C[5]H)(O[3]C[3])(O[5]C[5])	C[3](C[3,5]C[5]O[3]O[5])(O[3]C[3,5])(CCHO)(H)	O[3](C[3,5]C[3]C[5]O[5])(C[3]C[3,5]CH){1|H<1>,2|C<3>}	C[3,5](C[3]O[3]CH)(C[5]C[5]H)(O[3]C[3])(O[5]C[5]){1|H<1>,1|O<1>}	C[3](C[3,5]C[5]O[3]O[5])(O[3]C[3,5])(CCHO)(H){1|H<1>,2|C<3>}	61.0253	0.000	1	61.0253	0.000	1	61.0253	0.000	1	61.0253	0.000	1	61.2471	0.946	31	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5]	C[3]	4:4:	4:4:2:2:	4:3:2:1:	C[3,5]-4:C[3]-4:	C[5,5]-4:C[3]-4:O[5]-2:O[3]-2:	C[3,5]-4:C[6a]-3:O[3]-2:H-1:	O[3](C[3,5]C[5,5]C[3]O[5])(C[3]C[3,5]C[6a]H)	C[3,5](C[5,5]C[5,6a]N[5]O[5])(C[3]C[6a]O[3]H)(O[5]C[5,6a])(O[3]C[3])	C[3](C[3,5]C[5,5]O[3]O[5])(C[6a]C[6a]2)(O[3]C[3,5])(H)	O[3](C[3,5]C[5,5]C[3]O[5])(C[3]C[3,5]C[6a]H){1|N<3>,1|O<2>,4|C<3>}	C[3,5](C[5,5]C[5,6a]N[5]O[5])(C[3]C[6a]O[3]H)(O[5]C[5,6a])(O[3]C[3]){1|C<4>,1|O<2>,5|C<3>}	C[3](C[3,5]C[5,5]O[3]O[5])(C[6a]C[6a]2)(O[3]C[3,5])(H){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	61.1925	0.152	2	61.1925	0.023	2	61.1925	0.023	2	61.1925	0.023	2	61.2471	0.946	31	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5]	C[3]	4:4:	4:4:3:2:	4:2:4:4:	C[3,5]-4:C[3]-4:	C[3]-4:C[5]-4:C[5]-3:O[3]-2:	C[3,5]-4:O[3]-2:C-4:C-4:	O[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]CC)	C[3,5](C[3]O[3]CC)(C[5]C[5]HH)(C[5]C[5]2)(O[3]C[3])	C[3](C[3,5]C[5]2O[3])(O[3]C[3,5])(CCHH)(CH3)	O[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]CC){1|C<4>,2|C<3>,2|H<1>}	C[3,5](C[3]O[3]CC)(C[5]C[5]HH)(C[5]C[5]2)(O[3]C[3]){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[3](C[3,5]C[5]2O[3])(O[3]C[3,5])(CCHH)(CH3){1|C<4>,2|C<3>,2|H<1>}	61.4194	0.177	4	61.4194	0.031	4	61.4194	0.031	4	61.4194	0.031	4	61.2471	0.946	31	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5]	C[3]	4:4:	4:4:4:2:	4:2:1:1:	C[3,5]-4:C[3]-4:	C[3,5]-4:C[5,6]-4:C[3]-4:O[3]-2:	C[3,5]-4:O[3]-2:H-1:H-1:	O[3](C[3,5]C[3,5]C[5,6]C[3])(C[3]C[3,5]HH)	C[3,5](C[3,5]C[3,5]O[3]H)(C[5,6]C[5,6]C[6]C)(C[3]O[3]HH)(O[3]C[3])	C[3](C[3,5]C[3,5]C[5,6]O[3])(O[3]C[3,5])(H)2	O[3](C[3,5]C[3,5]C[5,6]C[3])(C[3]C[3,5]HH){1|H<1>,1|O<2>,4|C<4>}	C[3,5](C[3,5]C[3,5]O[3]H)(C[5,6]C[5,6]C[6]C)(C[3]O[3]HH)(O[3]C[3]){2|C<4>,2|H<1>,2|O<2>}	C[3](C[3,5]C[3,5]C[5,6]O[3])(O[3]C[3,5])(H)2{1|H<1>,1|O<2>,4|C<4>}	60.9361	0.000	1	60.9361	0.000	1	60.9361	0.000	1	60.9203	0.043	6	61.2471	0.946	31	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5]	C[3]	4:4:	4:4:4:2:	4:2:1:1:	C[3,5]-4:C[3]-4:	C[5,5,6]-4:C[5,6]-4:C[3]-4:O[3]-2:	C[3,5]-4:O[3]-2:H-1:H-1:	O[3](C[3,5]C[5,5,6]C[5,6]C[3])(C[3]C[3,5]HH)	C[3,5](C[5,5,6]C[5,3x6]C[5,6]C[5])(C[5,6]C[5,6,6]C[6]H)(C[3]O[3]HH)(O[3]C[3])	C[3](C[3,5]C[5,5,6]C[5,6]O[3])(O[3]C[3,5])(H)2	O[3](C[3,5]C[5,5,6]C[5,6]C[3])(C[3]C[3,5]HH){1|H<1>,2|C<3>,3|C<4>}	C[3,5](C[5,5,6]C[5,3x6]C[5,6]C[5])(C[5,6]C[5,6,6]C[6]H)(C[3]O[3]HH)(O[3]C[3]){1|O<1>,2|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[3](C[3,5]C[5,5,6]C[5,6]O[3])(O[3]C[3,5])(H)2{1|H<1>,2|C<3>,3|C<4>}	60.8358	0.126	2	60.8358	0.016	2	60.8358	0.016	2	60.9203	0.043	6	61.2471	0.946	31	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5]	C[3]	4:4:	4:4:4:2:	4:2:1:1:	C[3,5]-4:C[3]-4:	C[5,6]-4:C[3]-4:C[5]-4:O[3]-2:	C[3,5]-4:O[3]-2:H-1:H-1:	O[3](C[3,5]C[5,6]C[3]C[5])(C[3]C[3,5]HH)	C[3,5](C[5,6]C[5,6]C[6]C)(C[3]O[3]HH)(C[5]C[5]HH)(O[3]C[3])	C[3](C[3,5]C[5,6]C[5]O[3])(O[3]C[3,5])(H)2	O[3](C[3,5]C[5,6]C[3]C[5])(C[3]C[3,5]HH){2|H<1>,4|C<4>}	C[3,5](C[5,6]C[5,6]C[6]C)(C[3]O[3]HH)(C[5]C[5]HH)(O[3]C[3]){2|C<4>,5|H<1>}	C[3](C[3,5]C[5,6]C[5]O[3])(O[3]C[3,5])(H)2{2|H<1>,4|C<4>}	60.6405	0.000	1	60.6405	0.000	1	60.6405	0.000	1	60.9203	0.043	6	61.2471	0.946	31	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5]	C[3]	4:4:	4:4:4:2:	4:2:1:1:	C[3,5]-4:C[3]-4:	C[5,6]-4:C[5]-4:C[3]-4:O[3]-2:	C[3,5]-4:O[3]-2:H-1:H-1:	O[3](C[3,5]C[5,6]C[3]C[5])(C[3]C[3,5]HH)	C[3,5](C[5,6]C[5,6]O[5,6]C)(C[5]C[5,6]HH)(C[3]O[3]HH)(O[3]C[3])	C[3](C[3,5]C[5,6]C[5]O[3])(O[3]C[3,5])(H)2	O[3](C[3,5]C[5,6]C[3]C[5])(C[3]C[3,5]HH){1|O<2>,2|H<1>,3|C<4>}	C[3,5](C[5,6]C[5,6]O[5,6]C)(C[5]C[5,6]HH)(C[3]O[3]HH)(O[3]C[3]){2|O<2>,3|C<4>}	C[3](C[3,5]C[5,6]C[5]O[3])(O[3]C[3,5])(H)2{1|O<2>,2|H<1>,3|C<4>}	61.0572	0.000	1	61.0572	0.000	1	61.0572	0.000	1	60.9203	0.043	6	61.2471	0.946	31	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5]	C[3]	4:4:	4:4:4:2:	4:2:1:1:	C[3,5]-4:C[3]-4:	C[5]-4:C[5]-4:C[3]-4:O[3]-2:	C[3,5]-4:O[3]-2:H-1:H-1:	O[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]HH)	C[3,5](C[5]C[5,6a]CC)(C[5]C[5,6a]CH)(C[3]O[3]HH)(O[3]C[3])	C[3](C[3,5]C[5]2O[3])(O[3]C[3,5])(H)2	O[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]HH){1|H<1>,2|C<3>,3|C<4>}	C[3,5](C[5]C[5,6a]CC)(C[5]C[5,6a]CH)(C[3]O[3]HH)(O[3]C[3]){2|C<3>}	C[3](C[3,5]C[5]2O[3])(O[3]C[3,5])(H)2{1|H<1>,2|C<3>,3|C<4>}	61.2161	0.000	1	61.2161	0.000	1	61.2161	0.000	1	60.9203	0.043	6	61.2471	0.946	31	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5]	C[3]	4:4:	4:4:4:2:	4:2:4:1:	C[3,5]-4:C[3]-4:	C[5,5]-4:C[3]-4:C[5]-4:O[3]-2:	C[3,5]-4:O[3]-2:C-4:H-1:	O[3](C[3,5]C[5,5]C[3]C[5])(C[3]C[3,5]CH)	C[3,5](C[5,5]C[5,5]C[5]H)(C[3]O[3]CH)(C[5]C[5]CO)(O[3]C[3])	C[3](C[3,5]C[5,5]C[5]O[3])(O[3]C[3,5])(CC[6]HH)(H)	O[3](C[3,5]C[5,5]C[3]C[5])(C[3]C[3,5]CH){1|H<1>,1|O<2>,4|C<4>}	C[3,5](C[5,5]C[5,5]C[5]H)(C[3]O[3]CH)(C[5]C[5]CO)(O[3]C[3]){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[3](C[3,5]C[5,5]C[5]O[3])(O[3]C[3,5])(CC[6]HH)(H){1|H<1>,1|O<2>,4|C<4>}	59.4329	0.000	2	59.6493	0.062	4	59.6493	0.062	4	59.6493	0.062	4	61.2471	0.946	31	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5]	C[3]	4:4:	4:4:4:2:	4:2:4:1:	C[3,5]-4:C[3]-4:	C[5,5]-4:C[3]-4:C[5]-4:O[3]-2:	C[3,5]-4:O[3]-2:C-4:H-1:	O[3](C[3,5]C[5,5]C[3]C[5])(C[3]C[3,5]CH)	C[3,5](C[5,5]C[5,5]C[5]H)(C[3]O[3]CH)(C[5]C[5]CO)(O[3]C[3])	C[3](C[3,5]C[5,5]C[5]O[3])(O[3]C[3,5])(CC[6]HH)(H)	O[3](C[3,5]C[5,5]C[3]C[5])(C[3]C[3,5]CH){1|H<1>,1|O<2>,4|C<4>}	C[3,5](C[5,5]C[5,5]C[5]H)(C[3]O[3]CH)(C[5]C[5]CO)(O[3]C[3]){1|O<2>,2|C<3>,4|H<1>}	C[3](C[3,5]C[5,5]C[5]O[3])(O[3]C[3,5])(CC[6]HH)(H){1|H<1>,1|O<2>,4|C<4>}	59.8657	0.000	2	59.6493	0.062	4	59.6493	0.062	4	59.6493	0.062	4	61.2471	0.946	31	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5]	C[3]	4:4:	4:4:4:2:	4:2:4:4:	C[3,5]-4:C[3]-4:	C[3]-4:C[5]-4:C[5]-4:O[3]-2:	C[3,5]-4:O[3]-2:C-4:C-4:	O[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]CC)	C[3,5](C[3]O[3]CC)(C[5]C[5]2H)(C[5]C[5]HH)(O[3]C[3])	C[3](C[3,5]C[5]2O[3])(O[3]C[3,5])(CCHH)(CH3)	O[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]CC){1|C<4>,2|C<3>,3|H<1>}	C[3,5](C[3]O[3]CC)(C[5]C[5]2H)(C[5]C[5]HH)(O[3]C[3]){1|O<2>,2|C<4>,2|H<1>}	C[3](C[3,5]C[5]2O[3])(O[3]C[3,5])(CCHH)(CH3){1|C<4>,2|C<3>,3|H<1>}	60.5920	0.259	3	60.7389	0.131	4	60.7389	0.131	4	60.7389	0.131	4	61.2471	0.946	31	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5]	C[3]	4:4:	4:4:4:2:	4:2:4:4:	C[3,5]-4:C[3]-4:	C[3]-4:C[5]-4:C[5]-4:O[3]-2:	C[3,5]-4:O[3]-2:C-4:C-4:	O[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]CC)	C[3,5](C[3]O[3]CC)(C[5]C[5]2H)(C[5]C[5]HH)(O[3]C[3])	C[3](C[3,5]C[5]2O[3])(O[3]C[3,5])(CCHH)(CH3)	O[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]CC){3|C<4>,3|H<1>}	C[3,5](C[3]O[3]CC)(C[5]C[5]2H)(C[5]C[5]HH)(O[3]C[3]){2|C<4>,2|O<2>,3|H<1>}	C[3](C[3,5]C[5]2O[3])(O[3]C[3,5])(CCHH)(CH3){3|C<4>,3|H<1>}	61.1797	0.000	1	60.7389	0.131	4	60.7389	0.131	4	60.7389	0.131	4	61.2471	0.946	31	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,5]	C[3]	4:4:	4:4:4:2:	4:4:2:1:	C[3,5]-4:C[3]-4:	C[3]-4:C[5]-4:C[5]-4:O[3]-2:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	O[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]C[5]H)	C[3,5](C[3]C[5]O[3]H)(C[5]C[5,5]CH)(C[5]C[5,5]HH)(O[3]C[3])	C[3](C[3,5]C[5]2O[3])(C[5]C[5]2O)(O[3]C[3,5])(H)	O[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]C[5]H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[3,5](C[3]C[5]O[3]H)(C[5]C[5,5]CH)(C[5]C[5,5]HH)(O[3]C[3]){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[3](C[3,5]C[5]2O[3])(C[5]C[5]2O)(O[3]C[3,5])(H){1|O<1>,1|O<2>,4|H<1>,5|C<4>}	60.5984	0.000	1	60.5984	0.000	1	60.5984	0.000	1	60.5984	0.000	1	61.2471	0.946	31	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6,6]	C[3,5,6]	4:4:	4:4:4:2:	4:4:2:4:	C[3,5,6]-4:C[3,6,6]-4:	C[3,5,6]-4:C[6,6]-4:C[6]-4:O[3]-2:	C[3,6,6]-4:C[5,6]-4:O[3]-2:C[5]-4:	O[3](C[3,5,6]C[3,6,6]C[5,6]C[5])(C[3,6,6]C[3,5,6]C[6,6]C[6])	C[3,6,6](C[3,5,6]C[5,6]C[5]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(O[3]C[3,5,6])	C[3,5,6](C[3,6,6]C[6,6]C[6]O[3])(C[5,6]C[5]C[6]C)(O[3]C[3,6,6])(C[5]C[5]HH)	O[3](C[3,5,6]C[3,6,6]C[5,6]C[5])(C[3,6,6]C[3,5,6]C[6,6]C[6]){1|O<2>,4|H<1>,7|C<4>}	C[3,6,6](C[3,5,6]C[5,6]C[5]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(O[3]C[3,5,6]){2|C<3>,5|H<1>,6|C<4>}	C[3,5,6](C[3,6,6]C[6,6]C[6]O[3])(C[5,6]C[5]C[6]C)(O[3]C[3,6,6])(C[5]C[5]HH){1|O<2>,4|C<4>,7|H<1>}	60.9536	0.000	1	60.9536	0.000	1	60.9536	0.000	1	60.9536	0.000	1	60.9536	0.000	1	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6,6]	C[3,6,6]	4:4:	4:2:4:4:	4:2:4:4:	C[3,6,6]-4:C[3,6,6]-4:	C[3,6,6]-4:O[3]-2:C[6]-4:C[6]-4:	C[3,6,6]-4:O[3]-2:C[6]-4:C[6]-4:	O[3](C[3,6,6]C[3,6,6]C[6]2)2	C[3,6,6](C[3,6,6]C[6]2O[3])(O[3]C[3,6,6])(C[6]C[6]HH)2	C[3,6,6](C[3,6,6]C[6]2O[3])(O[3]C[3,6,6])(C[6]C[6]HH)2	O[3](C[3,6,6]C[3,6,6]C[6]2)2{2|C<3>,2|C<4>,8|H<1>}	C[3,6,6](C[3,6,6]C[6]2O[3])(O[3]C[3,6,6])(C[6]C[6]HH)2{1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C[3,6,6](C[3,6,6]C[6]2O[3])(O[3]C[3,6,6])(C[6]C[6]HH)2{1|C<3>,1|C<4>,1|O<2>,6|H<1>}	60.6137	0.000	1	60.6137	0.000	1	60.6137	0.000	1	60.6137	0.000	1	60.8667	0.397	26	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6,6]	C[3,6,6]	4:4:	4:4:2:1:	4:4:2:1:	C[3,6,6]-4:C[3,6,6]-4:	C[3,6,6]-4:C[3x6]-4:O[3]-2:H-1:	C[3,6,6]-4:C[3x6]-4:O[3]-2:H-1:	O[3](C[3,6,6]C[3,6,6]C[3x6]H)2	C[3,6,6](C[3,6,6]C[3x6]O[3]H)(C[3x6]C[4x6]C[6,6]H)(O[3]C[3,6,6])(H)	C[3,6,6](C[3,6,6]C[3x6]O[3]H)(C[3x6]C[4x6]C[6,6]H)(O[3]C[3,6,6])(H)	O[3](C[3,6,6]C[3,6,6]C[3x6]H)2{2|H<1>,4|C<4>}	C[3,6,6](C[3,6,6]C[3x6]O[3]H)(C[3x6]C[4x6]C[6,6]H)(O[3]C[3,6,6])(H){3|C<4>,4|H<1>}	C[3,6,6](C[3,6,6]C[3x6]O[3]H)(C[3x6]C[4x6]C[6,6]H)(O[3]C[3,6,6])(H){3|C<4>,4|H<1>}	60.4639	0.000	1	60.4639	0.000	1	60.7395	0.036	5	60.6102	0.349	9	60.8667	0.397	26	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6,6]	C[3,6,6]	4:4:	4:4:2:1:	4:4:2:1:	C[3,6,6]-4:C[3,6,6]-4:	C[3,6,6]-4:C[3x6]-4:O[3]-2:H-1:	C[3,6,6]-4:C[3x6]-4:O[3]-2:H-1:	O[3](C[3,6,6]C[3,6,6]C[3x6]H)2	C[3,6,6](C[3,6,6]C[3x6]O[3]H)(C[3x6]C[6,6]2H)(O[3]C[3,6,6])(H)	C[3,6,6](C[3,6,6]C[3x6]O[3]H)(C[3x6]O[6,6]2H)(O[3]C[3,6,6])(H)	O[3](C[3,6,6]C[3,6,6]C[3x6]H)2{2|C<4>,2|H<1>,2|O<2>}	C[3,6,6](C[3,6,6]C[3x6]O[3]H)(C[3x6]C[6,6]2H)(O[3]C[3,6,6])(H){1|F<1>,2|O<2>,4|H<1>}	C[3,6,6](C[3,6,6]C[3x6]O[3]H)(C[3x6]O[6,6]2H)(O[3]C[3,6,6])(H){1|H<1>,2|C<4>}	60.8102	0.000	1	60.8102	0.000	1	60.7395	0.036	5	60.6102	0.349	9	60.8667	0.397	26	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6,6]	C[3,6,6]	4:4:	4:4:2:1:	4:4:2:1:	C[3,6,6]-4:C[3,6,6]-4:	C[3,6,6]-4:C[3x6]-4:O[3]-2:H-1:	C[3,6,6]-4:C[3x6]-4:O[3]-2:H-1:	O[3](C[3,6,6]C[3,6,6]C[3x6]H)2	C[3,6,6](C[3,6,6]C[3x6]O[3]H)(C[3x6]C[6,6]O[6,6]H)(O[3]C[3,6,6])(H)	C[3,6,6](C[3,6,6]C[3x6]O[3]H)(C[3x6]C[6,6]O[6,6]H)(O[3]C[3,6,6])(H)	O[3](C[3,6,6]C[3,6,6]C[3x6]H)2{2|C<4>,2|H<1>,2|O<2>}	C[3,6,6](C[3,6,6]C[3x6]O[3]H)(C[3x6]C[6,6]O[6,6]H)(O[3]C[3,6,6])(H){1|C<4>,1|F<1>,1|O<2>,2|H<1>}	C[3,6,6](C[3,6,6]C[3x6]O[3]H)(C[3x6]C[6,6]O[6,6]H)(O[3]C[3,6,6])(H){1|C<4>,1|O<2>,3|H<1>}	60.8078	0.158	3	60.8078	0.025	3	60.7395	0.036	5	60.6102	0.349	9	60.8667	0.397	26	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6,6]	C[3,6,6]	4:4:	4:4:2:1:	4:4:2:1:	C[3,6,6]-4:C[3,6,6]-4:	C[3x6]-4:C[3,6,6]-4:O[3]-2:H-1:	C[3x6]-4:C[3,6,6]-4:O[3]-2:H-1:	O[3](C[3,6,6]C[3,6,6]C[3x6]H)2	C[3,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3,6,6]C[3x6]O[3]H)(O[3]C[3,6,6])(H)	C[3,6,6](C[3x6]N[5,6,6]C[6,6]H)(C[3,6,6]C[3x6]O[3]H)(O[3]C[3,6,6])(H)	O[3](C[3,6,6]C[3,6,6]C[3x6]H)2{1|N<3>,2|H<1>,3|C<4>}	C[3,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3,6,6]C[3x6]O[3]H)(O[3]C[3,6,6])(H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[3,6,6](C[3x6]N[5,6,6]C[6,6]H)(C[3,6,6]C[3x6]O[3]H)(O[3]C[3,6,6])(H){2|C<3>,2|C<4>,2|H<1>}	59.9043	0.000	1	59.9043	0.000	1	60.7792	0.574	3	60.6102	0.349	9	60.8667	0.397	26	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6,6]	C[3,6,6]	4:4:	4:4:2:1:	4:4:2:1:	C[3,6,6]-4:C[3,6,6]-4:	C[3x6]-4:C[3,6,6]-4:O[3]-2:H-1:	C[3x6]-4:C[3,6,6]-4:O[3]-2:H-1:	O[3](C[3,6,6]C[3,6,6]C[3x6]H)2	C[3,6,6](C[3x6]N[5a,6,6]C[6,6]H)(C[3,6,6]C[3x6]O[3]H)(O[3]C[3,6,6])(H)	C[3,6,6](C[3x6]N[5a,6,6]C[6,6]H)(C[3,6,6]C[3x6]O[3]H)(O[3]C[3,6,6])(H)	O[3](C[3,6,6]C[3,6,6]C[3x6]H)2{2|C<3>,2|H<1>,2|N<3>}	C[3,6,6](C[3x6]N[5a,6,6]C[6,6]H)(C[3,6,6]C[3x6]O[3]H)(O[3]C[3,6,6])(H){1|N<3>,2|C<3>,2|H<1>}	C[3,6,6](C[3x6]N[5a,6,6]C[6,6]H)(C[3,6,6]C[3x6]O[3]H)(O[3]C[3,6,6])(H){1|N<3>,2|C<3>,2|H<1>}	61.2166	0.010	2	61.2166	0.000	2	60.7792	0.574	3	60.6102	0.349	9	60.8667	0.397	26	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6,6]	C[3,6,6]	4:4:	4:4:2:1:	4:4:2:1:	C[3,6,6]-4:C[3,6,6]-4:	C[5,3x6]-4:C[3,6,6]-4:O[3]-2:H-1:	C[3,6,6]-4:C[3x6]-4:O[3]-2:H-1:	O[3](C[3,6,6]C[3,6,6]C[5,3x6]H)(C[3,6,6]C[3,6,6]C[3x6]H)	C[3,6,6](C[5,3x6]C[5,6,6]N[6,6]C[5])(C[3,6,6]C[3x6]O[3]H)(O[3]C[3,6,6])(H)	C[3,6,6](C[3,6,6]C[5,3x6]O[3]H)(C[3x6]C[6,6]N[6,6]H)(O[3]C[3,6,6])(H)	O[3](C[3,6,6]C[3,6,6]C[5,3x6]H)(C[3,6,6]C[3,6,6]C[3x6]H){1|H<1>,2|N<2>,3|C<4>}	C[3,6,6](C[5,3x6]C[5,6,6]N[6,6]C[5])(C[3,6,6]C[3x6]O[3]H)(O[3]C[3,6,6])(H){1|N<2>,1|N<3>,2|C<4>,4|H<1>}	C[3,6,6](C[3,6,6]C[5,3x6]O[3]H)(C[3x6]C[6,6]N[6,6]H)(O[3]C[3,6,6])(H){1|H<1>,1|N<2>,1|O<2>,2|C<4>}	59.4570	0.000	1	59.4570	0.000	1	59.4570	0.000	1	60.6102	0.349	9	60.8667	0.397	26	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6,6]	C[3,6,6]	4:4:	4:4:2:1:	4:4:2:3:	C[3,6,6]-4:C[3,6,6]-4:	C[3x6]-4:C[3,6,6]-4:O[3]-2:H-1:	C[3x6]-4:C[3,6,6]-4:O[3]-2:C-3:	O[3](C[3,6,6]C[3,6,6]C[3x6]C)(C[3,6,6]C[3,6,6]C[3x6]H)	C[3,6,6](C[3x6]N[5a,6,6]C[6,6]H)(C[3,6,6]C[3x6]O[3]C)(O[3]C[3,6,6])(H)	C[3,6,6](C[3x6]N[5a,6,6]C[6,6]C)(C[3,6,6]C[3x6]O[3]H)(O[3]C[3,6,6])(COO)	O[3](C[3,6,6]C[3,6,6]C[3x6]C)(C[3,6,6]C[3,6,6]C[3x6]H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[3,6,6](C[3x6]N[5a,6,6]C[6,6]H)(C[3,6,6]C[3x6]O[3]C)(O[3]C[3,6,6])(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[3,6,6](C[3x6]N[5a,6,6]C[6,6]C)(C[3,6,6]C[3x6]O[3]H)(O[3]C[3,6,6])(COO){1|N<3>,2|C<3>,2|H<1>}	61.7970	0.000	1	61.7970	0.000	1	61.7970	0.000	1	61.7970	0.000	1	60.8667	0.397	26	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6,6]	C[3,6,6]	4:4:	4:4:2:1:	4:4:2:4:	C[3,6,6]-4:C[3,6,6]-4:	C[5,4x6]-4:C[3,6,6]-4:O[3]-2:H-1:	C[3,6,6]-4:C[3x6]-4:O[3]-2:C-4:	O[3](C[3,6,6]C[3,6,6]C[5,4x6]H)(C[3,6,6]C[3,6,6]C[3x6]C)	C[3,6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[3,6,6]C[3x6]O[3]C)(O[3]C[3,6,6])(H)	C[3,6,6](C[3,6,6]C[5,4x6]O[3]H)(C[3x6]C[6,6]2H)(O[3]C[3,6,6])(CH3)	O[3](C[3,6,6]C[3,6,6]C[5,4x6]H)(C[3,6,6]C[3,6,6]C[3x6]C){1|H<1>,5|C<4>}	C[3,6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[3,6,6]C[3x6]O[3]C)(O[3]C[3,6,6])(H){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	C[3,6,6](C[3,6,6]C[5,4x6]O[3]H)(C[3x6]C[6,6]2H)(O[3]C[3,6,6])(CH3){3|C<4>,4|H<1>}	60.5715	0.146	3	60.5715	0.021	3	60.5715	0.021	3	60.5715	0.021	3	60.8667	0.397	26	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6,6]	C[3,6,6]	4:4:	4:4:2:2:	4:2:4:4:	C[3,6,6]-4:C[3,6,6]-4:	C[4x6]-4:C[3,6,6]-4:O[3]-2:O[6]-2:	C[3,6,6]-4:O[3]-2:C[6]-4:C[6]-4:	O[3](C[3,6,6]C[3,6,6]C[4x6]O[6])(C[3,6,6]C[3,6,6]C[6]2)	C[3,6,6](C[4x6]C[3x6]2C[6,6])(C[3,6,6]C[6]2O[3])(O[3]C[3,6,6])(O[6]C[6,6])	C[3,6,6](C[3,6,6]C[4x6]O[3]O[6])(O[3]C[3,6,6])(C[6]C[6]HH)2	O[3](C[3,6,6]C[3,6,6]C[4x6]O[6])(C[3,6,6]C[3,6,6]C[6]2){4|H<1>,6|C<4>}	C[3,6,6](C[4x6]C[3x6]2C[6,6])(C[3,6,6]C[6]2O[3])(O[3]C[3,6,6])(O[6]C[6,6]){1|C<3>,1|O<2>,6|C<4>,8|H<1>}	C[3,6,6](C[3,6,6]C[4x6]O[3]O[6])(O[3]C[3,6,6])(C[6]C[6]HH)2{2|H<1>,6|C<4>}	61.2311	0.000	1	61.2311	0.000	1	61.2311	0.000	1	61.2311	0.000	1	60.8667	0.397	26	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6,6]	C[3,6,6]	4:4:	4:4:2:3:	4:2:3:3:	C[3,6,6]-4:C[3,6,6]-4:	C[3,6,6]-4:C[6,6]-4:O[3]-2:C[6]-3:	C[3,6,6]-4:O[3]-2:C[6]-3:C[6]-3:	O[3](C[3,6,6]C[3,6,6]C[6,6]C[6])(C[3,6,6]C[3,6,6]C[6]2)	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6,6]C[6,6]C[6]C)(O[3]C[3,6,6])(C[6]C[6]O)	C[3,6,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6]O)2	O[3](C[3,6,6]C[3,6,6]C[6,6]C[6])(C[3,6,6]C[3,6,6]C[6]2){2|C<3>,3|O<1>,4|C<4>}	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6,6]C[6,6]C[6]C)(O[3]C[3,6,6])(C[6]C[6]O){1|C<3>,1|O<2>,2|O<1>,3|C<4>,3|H<1>}	C[3,6,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6]O)2{1|C<3>,1|O<1>,2|H<1>,4|C<4>}	61.8424	0.000	1	61.8424	0.000	1	61.8424	0.000	1	61.8424	0.000	1	60.8667	0.397	26	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6,6]	C[3,6,6]	4:4:	4:4:2:4:	4:2:4:4:	C[3,6,6]-4:C[3,6,6]-4:	C[3,6,6]-4:C[6,6]-4:O[3]-2:C[6]-4:	C[3,6,6]-4:O[3]-2:C[6]-4:C[6]-4:	O[3](C[3,6,6]C[3,6,6]C[6,6]C[6])(C[3,6,6]C[3,6,6]C[6]2)	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6,6]C[6,6]C[6]H)(O[3]C[3,6,6])(C[6]C[6]HH)	C[3,6,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6]HH)2	O[3](C[3,6,6]C[3,6,6]C[6,6]C[6])(C[3,6,6]C[3,6,6]C[6]2){5|C<4>,7|H<1>}	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6,6]C[6,6]C[6]H)(O[3]C[3,6,6])(C[6]C[6]HH){4|C<4>,9|H<1>}	C[3,6,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6]HH)2{4|C<4>,6|H<1>}	61.3406	0.000	1	61.3406	0.000	1	61.3406	0.000	1	61.3406	0.000	1	60.8667	0.397	26	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6,6]	C[3,6,6]	4:4:	4:4:2:4:	4:3:2:4:	C[3,6,6]-4:C[3,6,6]-4:	C[3,6,6]-4:C[6]-4:O[3]-2:C[6]-4:	C[3,6,6]-4:C[6,6]-3:O[3]-2:C[6]-4:	O[3](C[3,6,6]C[3,6,6]C[6,6]C[6])(C[3,6,6]C[3,6,6]C[6]2)	C[3,6,6](C[3,6,6]C[6,6]C[6]O[3])(C[6]C[5,6]HH)(O[3]C[3,6,6])(C[6]C[6]HH)	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6,6]C[6,6]C[6])(O[3]C[3,6,6])(C[6]C[6]HH)	O[3](C[3,6,6]C[3,6,6]C[6,6]C[6])(C[3,6,6]C[3,6,6]C[6]2){1|C<3>,4|C<4>,6|H<1>}	C[3,6,6](C[3,6,6]C[6,6]C[6]O[3])(C[6]C[5,6]HH)(O[3]C[3,6,6])(C[6]C[6]HH){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6,6]C[6,6]C[6])(O[3]C[3,6,6])(C[6]C[6]HH){4|C<4>,8|H<1>}	60.3332	1.558	2	60.3332	2.428	2	60.3332	2.428	2	60.3332	2.428	2	60.8667	0.397	26	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6,6]	C[3,6,6]	4:4:	4:4:2:4:	4:4:2:4:	C[3,6,6]-4:C[3,6,6]-4:	C[3,6,6]-4:C[6,6]-4:O[3]-2:C[6]-4:	C[3,6,6]-4:C[5,6]-4:O[3]-2:C[6]-4:	O[3](C[3,6,6]C[3,6,6]C[5,6]C[6])(C[3,6,6]C[3,6,6]C[6,6]C[6])	C[3,6,6](C[3,6,6]C[5,6]C[6]O[3])(C[6,6]C[6,6]C[6]C)(O[3]C[3,6,6])(C[6]C[6]HH)	C[3,6,6](C[3,6,6]C[6,6]C[6]O[3])(C[5,6]C[5,6]C[5]C)(O[3]C[3,6,6])(C[6]C[6]HH)	O[3](C[3,6,6]C[3,6,6]C[5,6]C[6])(C[3,6,6]C[3,6,6]C[6,6]C[6]){4|H<1>,8|C<4>}	C[3,6,6](C[3,6,6]C[5,6]C[6]O[3])(C[6,6]C[6,6]C[6]C)(O[3]C[3,6,6])(C[6]C[6]HH){6|C<4>,7|H<1>}	C[3,6,6](C[3,6,6]C[6,6]C[6]O[3])(C[5,6]C[5,6]C[5]C)(O[3]C[3,6,6])(C[6]C[6]HH){6|H<1>,7|C<4>}	61.7060	0.000	1	61.7060	0.000	1	61.7060	0.000	1	61.1213	0.137	5	60.8667	0.397	26	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6,6]	C[3,6,6]	4:4:	4:4:2:4:	4:4:2:4:	C[3,6,6]-4:C[3,6,6]-4:	C[3,6,6]-4:C[6]-4:O[3]-2:C[6]-4:	C[3,6,6]-4:C[6]-4:O[3]-2:C[6]-4:	O[3](C[3,6,6]C[3,6,6]C[6]2)2	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6]C[3,6]HH)(O[3]C[3,6,6])(C[6]C[6]HH)	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6]C[3,6]HH)(O[3]C[3,6,6])(C[6]C[6]HH)	O[3](C[3,6,6]C[3,6,6]C[6]2)2{4|C<4>,8|H<1>}	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6]C[3,6]HH)(O[3]C[3,6,6])(C[6]C[6]HH){1|N<3>,2|C<4>,7|H<1>}	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6]C[3,6]HH)(O[3]C[3,6,6])(C[6]C[6]HH){1|N<3>,2|C<4>,7|H<1>}	60.7693	0.000	1	60.7693	0.000	1	61.0183	0.049	3	61.1213	0.137	5	60.8667	0.397	26	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6,6]	C[3,6,6]	4:4:	4:4:2:4:	4:4:2:4:	C[3,6,6]-4:C[3,6,6]-4:	C[3,6,6]-4:C[6]-4:O[3]-2:C[6]-4:	C[3,6,6]-4:C[6]-4:O[3]-2:C[6]-4:	O[3](C[3,6,6]C[3,6,6]C[6]2)2	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6]C[6,6]HH)(O[3]C[3,6,6])(C[6]C[6]HH)	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6]C[6,6]HH)(O[3]C[3,6,6])(C[6]C[6]HH)	O[3](C[3,6,6]C[3,6,6]C[6]2)2{4|C<4>,8|H<1>}	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6]C[6,6]HH)(O[3]C[3,6,6])(C[6]C[6]HH){1|C<3>,3|C<4>,6|H<1>}	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6]C[6,6]HH)(O[3]C[3,6,6])(C[6]C[6]HH){3|C<4>,7|H<1>}	61.1429	0.068	2	61.1429	0.005	2	61.0183	0.049	3	61.1213	0.137	5	60.8667	0.397	26	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6,6]	C[3,6,6]	4:4:	4:4:2:4:	4:4:2:4:	C[3,6,6]-4:C[3,6,6]-4:	C[3x6]-4:C[3,6,6]-4:O[3]-2:C-4:	C[3x6]-4:C[3,6,6]-4:O[3]-2:C-4:	O[3](C[3,6,6]C[3,6,6]C[3x6]C)2	C[3,6,6](C[3x6]N[5a,6,6]C[6,6]H)(C[3,6,6]C[3x6]O[3]C)(O[3]C[3,6,6])(CH3)	C[3,6,6](C[3x6]N[5a,6,6]C[6,6]H)(C[3,6,6]C[3x6]O[3]C)(O[3]C[3,6,6])(CH3)	O[3](C[3,6,6]C[3,6,6]C[3x6]C)2{2|C<3>,2|H<1>,2|N<3>}	C[3,6,6](C[3x6]N[5a,6,6]C[6,6]H)(C[3,6,6]C[3x6]O[3]C)(O[3]C[3,6,6])(CH3){1|N<3>,2|C<3>,2|H<1>}	C[3,6,6](C[3x6]N[5a,6,6]C[6,6]H)(C[3,6,6]C[3x6]O[3]C)(O[3]C[3,6,6])(CH3){1|N<3>,2|C<3>,2|H<1>}	60.8456	0.000	1	60.8456	0.000	1	60.8456	0.000	1	61.1213	0.137	5	60.8667	0.397	26	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6,6]	C[3,6,6]	4:4:	4:4:4:2:	4:2:3:4:	C[3,6,6]-4:C[3,6,6]-4:	C[3,6,6]-4:C[6]-4:C[6]-4:O[3]-2:	C[3,6,6]-4:O[3]-2:C[6]-3:C[6]-4:	O[3](C[3,6,6]C[3,6,6]C[6]2)2	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6]C[5,6]CC)(C[6]C[6,6]HH)(O[3]C[3,6,6])	C[3,6,6](C[3,6,6]C[6]2O[3])(O[3]C[3,6,6])(C[6]N[6,6]O)(C[6]C[6]HH)	O[3](C[3,6,6]C[3,6,6]C[6]2)2{1|N<3>,1|O<1>,4|H<1>,5|C<4>}	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6]C[5,6]CC)(C[6]C[6,6]HH)(O[3]C[3,6,6]){1|N<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C[3,6,6](C[3,6,6]C[6]2O[3])(O[3]C[3,6,6])(C[6]N[6,6]O)(C[6]C[6]HH){4|H<1>,5|C<4>}	61.0595	0.000	1	61.0595	0.000	1	61.0595	0.000	1	61.0595	0.000	1	60.8667	0.397	26	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6,6]	C[3,6,6]	4:4:	4:4:4:2:	4:2:4:4:	C[3,6,6]-4:C[3,6,6]-4:	C[3,6,6]-4:C[6,6]-4:C[6]-4:O[3]-2:	C[3,6,6]-4:O[3]-2:C[6]-4:C[6]-4:	O[3](C[3,6,6]C[3,6,6]C[6,6]C[6])(C[3,6,6]C[3,6,6]C[6]2)	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(O[3]C[3,6,6])	C[3,6,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6]HH)2	O[3](C[3,6,6]C[3,6,6]C[6,6]C[6])(C[3,6,6]C[3,6,6]C[6]2){6|C<4>,6|H<1>}	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(O[3]C[3,6,6]){2|O<2>,4|C<4>,7|H<1>}	C[3,6,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6]HH)2{4|C<4>,6|H<1>}	61.1697	0.000	1	61.1697	0.000	1	61.1697	0.000	1	61.1697	0.000	1	60.8667	0.397	26	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6,6]	C[3,6]	4:4:	3:4:4:2:	4:4:2:1:	C[3,6,6]-4:C[3,6]-4:	C[6,6]-3:C[3,6]-4:C[6]-4:O[3]-2:	C[3,6,6]-4:C[6]-4:O[3]-2:H-1:	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[6]H)	C[3,6,6](C[6,6]C[4x6]C[6])(C[3,6]C[6]O[3]H)(C[6]O[6]CC)(O[3]C[3,6])	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[6]C[3x6]HH)(O[3]C[3,6,6])(H)	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[6]H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[3,6,6](C[6,6]C[4x6]C[6])(C[3,6]C[6]O[3]H)(C[6]O[6]CC)(O[3]C[3,6]){1|C<3>,3|C<4>,3|H<1>}	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[6]C[3x6]HH)(O[3]C[3,6,6])(H){1|C<3>,1|O<2>,5|C<4>}	61.4534	0.421	4	61.4534	0.177	4	61.4534	0.177	4	61.4534	0.177	4	61.1579	0.303	62	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6,6]	C[3,6]	4:4:	4:3:2:3:	4:4:2:3:	C[3,6,6]-4:C[3,6]-4:	C[3,6]-4:N[6,6]-3:O[3]-2:C[6]-3:	C[3,6,6]-4:C[6]-4:O[3]-2:C[6a]-3:	O[3](C[3,6,6]C[3,6]N[6,6]C[6])(C[3,6]C[3,6,6]C[6a]C[6])	C[3,6,6](C[3,6]C[6a]C[6]O[3])(N[6,6]C[6,6a]C[6])(O[3]C[3,6])(C[6]N[6]O)	C[3,6](C[3,6,6]N[6,6]C[6]O[3])(C[6]C[6,6a]HO)(O[3]C[3,6,6])(C[6a]C[6a]2)	O[3](C[3,6,6]C[3,6]N[6,6]C[6])(C[3,6]C[3,6,6]C[6a]C[6]){1|H<1>,1|N<3>,1|O<1>,1|O<2>,5|C<3>}	C[3,6,6](C[3,6]C[6a]C[6]O[3])(N[6,6]C[6,6a]C[6])(O[3]C[3,6])(C[6]N[6]O){1|H<1>,1|O<1>,1|O<2>,2|C<4>,4|C<3>}	C[3,6](C[3,6,6]N[6,6]C[6]O[3])(C[6]C[6,6a]HO)(O[3]C[3,6,6])(C[6a]C[6a]2){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	62.3154	0.177	2	62.3154	0.031	2	62.3154	0.031	2	62.3154	0.031	2	61.1579	0.303	62	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6,6]	C[3,6]	4:4:	4:3:4:2:	4:2:4:1:	C[3,6,6]-4:C[3,6]-4:	C[3,6]-4:C[3x6]-3:C[6]-4:O[3]-2:	C[3,6,6]-4:O[3]-2:C[6]-4:H-1:	O[3](C[3,6,6]C[3,6]C[3x6]C[6])(C[3,6]C[3,6,6]C[6]H)	C[3,6,6](C[3,6]C[6]O[3]H)(C[3x6]C[6,6]2)(C[6]C[6,6]HH)(O[3]C[3,6])	C[3,6](C[3,6,6]C[3x6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6]HH)(H)	O[3](C[3,6,6]C[3,6]C[3x6]C[6])(C[3,6]C[3,6,6]C[6]H){1|C<3>,3|C<4>,4|H<1>}	C[3,6,6](C[3,6]C[6]O[3]H)(C[3x6]C[6,6]2)(C[6]C[6,6]HH)(O[3]C[3,6]){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[3,6](C[3,6,6]C[3x6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6]HH)(H){1|C<3>,2|C<4>,4|H<1>}	60.3098	0.000	1	60.3098	0.000	1	60.3098	0.000	1	60.3098	0.000	1	61.1579	0.303	62	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6,6]	C[3,6]	4:4:	4:3:4:2:	4:4:2:1:	C[3,6,6]-4:C[3,6]-4:	C[3,6]-4:C[6,6]-3:C[6]-4:O[3]-2:	C[3,6,6]-4:C[5,6]-4:O[3]-2:H-1:	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[5,6]H)	C[3,6,6](C[3,6]C[5,6]O[3]H)(C[6,6]C[6,6]C[6])(C[6]O[6]HH)(O[3]C[3,6])	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[5,6]C[5,6,6]O[5]H)(O[3]C[3,6,6])(H)	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[5,6]H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[3,6,6](C[3,6]C[5,6]O[3]H)(C[6,6]C[6,6]C[6])(C[6]O[6]HH)(O[3]C[3,6]){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[5,6]C[5,6,6]O[5]H)(O[3]C[3,6,6])(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	60.4620	0.000	1	60.4620	0.000	1	60.6848	0.070	3	60.5556	0.113	4	61.1579	0.303	62	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6,6]	C[3,6]	4:4:	4:3:4:2:	4:4:2:1:	C[3,6,6]-4:C[3,6]-4:	C[3,6]-4:C[6,6]-3:C[6]-4:O[3]-2:	C[3,6,6]-4:C[5,6]-4:O[3]-2:H-1:	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[5,6]H)	C[3,6,6](C[3,6]C[5,6]O[3]H)(C[6,6]C[6,6]C[6])(C[6]O[6]HO)(O[3]C[3,6])	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[5,6]C[5,6,6]O[5]H)(O[3]C[3,6,6])(H)	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[5,6]H){1|C<3>,2|C<4>,2|H<1>,3|O<2>}	C[3,6,6](C[3,6]C[5,6]O[3]H)(C[6,6]C[6,6]C[6])(C[6]O[6]HO)(O[3]C[3,6]){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[5,6]C[5,6,6]O[5]H)(O[3]C[3,6,6])(H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	60.7962	0.256	2	60.7962	0.066	2	60.6848	0.070	3	60.5556	0.113	4	61.1579	0.303	62	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6,6]	C[3,6]	4:4:	4:3:4:2:	4:4:2:1:	C[3,6,6]-4:C[3,6]-4:	C[5,6]-4:C[6,6]-3:C[3,6]-4:O[3]-2:	C[3,6,6]-4:C[6]-4:O[3]-2:H-1:	O[3](C[3,6,6]C[3,6]C[5,6]C[6,6])(C[3,6]C[3,6,6]C[6]H)	C[3,6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(C[3,6]C[6]O[3]H)(O[3]C[3,6])	C[3,6](C[3,6,6]C[5,6]C[6,6]O[3])(C[6]C[6,6]HH)(O[3]C[3,6,6])(H)	O[3](C[3,6,6]C[3,6]C[5,6]C[6,6])(C[3,6]C[3,6,6]C[6]H){1|C<3>,2|H<1>,5|C<4>}	C[3,6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(C[3,6]C[6]O[3]H)(O[3]C[3,6]){1|O<2>,3|C<3>,4|C<4>,4|H<1>}	C[3,6](C[3,6,6]C[5,6]C[6,6]O[3])(C[6]C[6,6]HH)(O[3]C[3,6,6])(H){1|C<3>,1|H<1>,5|C<4>}	60.1680	0.000	1	60.1680	0.000	1	60.1680	0.000	1	60.5556	0.113	4	61.1579	0.303	62	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6,6]	C[3,6]	4:4:	4:4:2:3:	4:2:3:1:	C[3,6,6]-4:C[3,6]-4:	C[3,6]-4:C[6,6]-4:O[3]-2:C[6]-3:	C[3,6,6]-4:O[3]-2:C[6]-3:H-1:	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[6]H)	C[3,6,6](C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6])(C[6]C[6]C)	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]O[6]O)(H)	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[6]H){1|C<3>,1|O<1>,1|O<2>,4|C<4>}	C[3,6,6](C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6])(C[6]C[6]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]O[6]O)(H){1|C<3>,4|C<4>}	60.7656	0.042	3	60.8558	0.034	4	60.8558	0.034	4	60.8558	0.034	4	61.1579	0.303	62	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6,6]	C[3,6]	4:4:	4:4:2:3:	4:2:3:1:	C[3,6,6]-4:C[3,6]-4:	C[3,6]-4:C[6,6]-4:O[3]-2:C[6]-3:	C[3,6,6]-4:O[3]-2:C[6]-3:H-1:	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[6]H)	C[3,6,6](C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6])(C[6]C[6]C)	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]O[6]O)(H)	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[6]H){1|C<3>,1|O<1>,1|O<2>,4|C<4>}	C[3,6,6](C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6])(C[6]C[6]C){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]O[6]O)(H){1|C<3>,4|C<4>}	61.1263	0.000	1	60.8558	0.034	4	60.8558	0.034	4	60.8558	0.034	4	61.1579	0.303	62	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6,6]	C[3,6]	4:4:	4:4:2:3:	4:2:3:4:	C[3,6,6]-4:C[3,6]-4:	C[3,6]-4:C[6,6]-4:O[3]-2:C[6]-3:	C[3,6,6]-4:O[3]-2:C[6]-3:C-4:	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[6]C)	C[3,6,6](C[3,6]C[6]O[3]C)(C[6,6]C[6]2C)(O[3]C[3,6])(C[6]C[6]O)	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6]O)(CH3)	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[6]C){2|O<1>,5|C<4>}	C[3,6,6](C[3,6]C[6]O[3]C)(C[6,6]C[6]2C)(O[3]C[3,6])(C[6]C[6]O){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6]O)(CH3){1|O<1>,2|H<1>,4|C<4>}	61.4197	0.000	1	61.4197	0.000	1	61.4197	0.000	1	61.4197	0.000	1	61.1579	0.303	62	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6,6]	C[3,6]	4:4:	4:4:4:2:	4:2:3:1:	C[3,6,6]-4:C[3,6]-4:	C[3,6]-4:C[5,6]-4:C[6,6]-4:O[3]-2:	C[3,6,6]-4:O[3]-2:C[6]-3:H-1:	O[3](C[3,6,6]C[3,6]C[5,6]C[6,6])(C[3,6]C[3,6,6]C[6]H)	C[3,6,6](C[3,6]C[6]O[3]H)(C[5,6]C[6]O[5]2)(C[6,6]C[6]2C)(O[3]C[3,6])	C[3,6](C[3,6,6]C[5,6]C[6,6]O[3])(O[3]C[3,6,6])(C[6]C[6]O)(H)	O[3](C[3,6,6]C[3,6]C[5,6]C[6,6])(C[3,6]C[3,6,6]C[6]H){1|O<1>,2|O<2>,5|C<4>}	C[3,6,6](C[3,6]C[6]O[3]H)(C[5,6]C[6]O[5]2)(C[6,6]C[6]2C)(O[3]C[3,6]){1|O<1>,4|C<4>,6|H<1>}	C[3,6](C[3,6,6]C[5,6]C[6,6]O[3])(O[3]C[3,6,6])(C[6]C[6]O)(H){2|H<1>,2|O<2>,4|C<4>}	60.8680	0.000	1	60.8680	0.000	1	60.8680	0.000	1	61.1525	0.278	17	61.1579	0.303	62	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6,6]	C[3,6]	4:4:	4:4:4:2:	4:2:3:1:	C[3,6,6]-4:C[3,6]-4:	C[3,6]-4:C[6,6]-4:C[6]-4:O[3]-2:	C[3,6,6]-4:O[3]-2:C[6]-3:H-1:	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[6]H)	C[3,6,6](C[3,6]C[6]O[3]H)(C[6,6]C[6]2O)(C[6]C[6,6]HH)(O[3]C[3,6])	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6]O)(H)	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[6]H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[3,6,6](C[3,6]C[6]O[3]H)(C[6,6]C[6]2O)(C[6]C[6,6]HH)(O[3]C[3,6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6]O)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	60.9442	0.000	1	60.9442	0.000	1	60.9442	0.000	1	61.1525	0.278	17	61.1579	0.303	62	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6,6]	C[3,6]	4:4:	4:4:4:2:	4:2:3:1:	C[3,6,6]-4:C[3,6]-4:	C[6,6]-4:C[3,6]-4:C[6,6]-4:O[3]-2:	C[3,6,6]-4:O[3]-2:C[6]-3:H-1:	O[3](C[3,6,6]C[3,6]C[6,6]2)(C[3,6]C[3,6,6]C[6]H)	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6])	C[3,6](C[3,6,6]C[6,6]2O[3])(O[3]C[3,6,6])(C[6]O[6]O)(H)	O[3](C[3,6,6]C[3,6]C[6,6]2)(C[3,6]C[3,6,6]C[6]H){1|C<3>,1|O<1>,1|O<2>,5|C<4>}	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6]){1|C<3>,1|N<2>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[3,6](C[3,6,6]C[6,6]2O[3])(O[3]C[3,6,6])(C[6]O[6]O)(H){1|C<3>,5|C<4>}	61.2181	0.000	1	61.5066	0.184	9	61.5066	0.184	9	61.1525	0.278	17	61.1579	0.303	62	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6,6]	C[3,6]	4:4:	4:4:4:2:	4:2:3:1:	C[3,6,6]-4:C[3,6]-4:	C[6,6]-4:C[3,6]-4:C[6,6]-4:O[3]-2:	C[3,6,6]-4:O[3]-2:C[6]-3:H-1:	O[3](C[3,6,6]C[3,6]C[6,6]2)(C[3,6]C[3,6,6]C[6]H)	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6])	C[3,6](C[3,6,6]C[6,6]2O[3])(O[3]C[3,6,6])(C[6]O[6]O)(H)	O[3](C[3,6,6]C[3,6]C[6,6]2)(C[3,6]C[3,6,6]C[6]H){1|C<3>,1|O<1>,1|O<2>,5|C<4>}	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6]){1|C<3>,1|O<2>,2|O<1>,3|C<4>,4|H<1>}	C[3,6](C[3,6,6]C[6,6]2O[3])(O[3]C[3,6,6])(C[6]O[6]O)(H){1|C<3>,5|C<4>}	61.2688	0.209	2	61.5066	0.184	9	61.5066	0.184	9	61.1525	0.278	17	61.1579	0.303	62	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6,6]	C[3,6]	4:4:	4:4:4:2:	4:2:3:1:	C[3,6,6]-4:C[3,6]-4:	C[6,6]-4:C[3,6]-4:C[6,6]-4:O[3]-2:	C[3,6,6]-4:O[3]-2:C[6]-3:H-1:	O[3](C[3,6,6]C[3,6]C[6,6]2)(C[3,6]C[3,6,6]C[6]H)	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6])	C[3,6](C[3,6,6]C[6,6]2O[3])(O[3]C[3,6,6])(C[6]O[6]O)(H)	O[3](C[3,6,6]C[3,6]C[6,6]2)(C[3,6]C[3,6,6]C[6]H){1|O<1>,1|O<2>,6|C<4>}	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6]){1|C<3>,1|O<1>,2|O<2>,3|C<4>,5|H<1>}	C[3,6](C[3,6,6]C[6,6]2O[3])(O[3]C[3,6,6])(C[6]O[6]O)(H){6|C<4>}	61.6207	0.531	5	61.5066	0.184	9	61.5066	0.184	9	61.1525	0.278	17	61.1579	0.303	62	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6,6]	C[3,6]	4:4:	4:4:4:2:	4:2:3:1:	C[3,6,6]-4:C[3,6]-4:	C[6,6]-4:C[3,6]-4:C[6,6]-4:O[3]-2:	C[3,6,6]-4:O[3]-2:C[6]-3:H-1:	O[3](C[3,6,6]C[3,6]C[6,6]2)(C[3,6]C[3,6,6]C[6]H)	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6])	C[3,6](C[3,6,6]C[6,6]2O[3])(O[3]C[3,6,6])(C[6]O[6]O)(H)	O[3](C[3,6,6]C[3,6]C[6,6]2)(C[3,6]C[3,6,6]C[6]H){1|O<1>,1|O<2>,6|C<4>}	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6]){1|C<3>,1|O<1>,3|C<4>,3|O<2>,4|H<1>}	C[3,6](C[3,6,6]C[6,6]2O[3])(O[3]C[3,6,6])(C[6]O[6]O)(H){6|C<4>}	61.7007	0.000	1	61.5066	0.184	9	61.5066	0.184	9	61.1525	0.278	17	61.1579	0.303	62	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6,6]	C[3,6]	4:4:	4:4:4:2:	4:2:3:1:	C[3,6,6]-4:C[3,6]-4:	C[6,6]-4:C[3,6]-4:C[6]-4:O[3]-2:	C[3,6,6]-4:O[3]-2:C[6]-3:H-1:	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[6]H)	C[3,6,6](C[6,6]C[3,6]C[6]O)(C[3,6]C[6]O[3]H)(C[6]C[6,6]HH)(O[3]C[3,6])	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[3,6]O)(H)	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[6]H){1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[3,6,6](C[6,6]C[3,6]C[6]O)(C[3,6]C[6]O[3]H)(C[6]C[6,6]HH)(O[3]C[3,6]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[3,6]O)(H){2|H<1>,2|O<2>,4|C<4>}	60.7827	0.000	1	60.7827	0.000	1	61.0515	0.144	2	61.1525	0.278	17	61.1579	0.303	62	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6,6]	C[3,6]	4:4:	4:4:4:2:	4:2:3:1:	C[3,6,6]-4:C[3,6]-4:	C[6,6]-4:C[3,6]-4:C[6]-4:O[3]-2:	C[3,6,6]-4:O[3]-2:C[6]-3:H-1:	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[6]H)	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6,6]O)(H)	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[6]H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6,6]O)(H){2|C<3>,2|H<1>,3|C<4>}	61.3202	0.000	1	61.3202	0.000	1	61.0515	0.144	2	61.1525	0.278	17	61.1579	0.303	62	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6,6]	C[3,6]	4:4:	4:4:4:2:	4:2:3:1:	C[3,6,6]-4:C[3,6]-4:	C[6,6]-4:C[6,6]-4:C[3,6]-4:O[3]-2:	C[3,6,6]-4:O[3]-2:C[6]-3:H-1:	O[3](C[3,6,6]C[3,6]C[6,6]2)(C[3,6]C[3,6,6]C[6]H)	C[3,6,6](C[6,6]C[6,6]C[6]C)2(C[3,6]C[6]O[3]H)(O[3]C[3,6])	C[3,6](C[3,6,6]C[6,6]2O[3])(O[3]C[3,6,6])(C[6]C[6,6]C)(H)	O[3](C[3,6,6]C[3,6]C[6,6]2)(C[3,6]C[3,6,6]C[6]H){3|C<3>,5|C<4>}	C[3,6,6](C[6,6]C[6,6]C[6]C)2(C[3,6]C[6]O[3]H)(O[3]C[3,6]){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[3,6](C[3,6,6]C[6,6]2O[3])(O[3]C[3,6,6])(C[6]C[6,6]C)(H){3|C<3>,5|C<4>}	60.5296	0.067	4	60.5296	0.004	4	60.5296	0.004	4	61.1525	0.278	17	61.1579	0.303	62	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6,6]	C[3,6]	4:4:	4:4:4:2:	4:2:4:1:	C[3,6,6]-4:C[3,6]-4:	C[3,6]-4:C[6,6]-4:C[6]-4:O[3]-2:	C[3,6,6]-4:O[3]-2:C[6]-4:H-1:	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[6]H)	C[3,6,6](C[3,6]C[6]O[3]H)(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(O[3]C[3,6])	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]N[6]HH)(H)	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[6]H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[3,6,6](C[3,6]C[6]O[3]H)(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(O[3]C[3,6]){1|C<4>,1|N<3>,6|H<1>}	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]N[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	61.1045	0.000	1	61.1045	0.000	1	61.1045	0.000	1	60.8020	0.085	3	61.1579	0.303	62	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6,6]	C[3,6]	4:4:	4:4:4:2:	4:2:4:1:	C[3,6,6]-4:C[3,6]-4:	C[3,6]-4:C[6]-4:C[6,6]-4:O[3]-2:	C[3,6,6]-4:O[3]-2:C[6]-4:H-1:	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[6]H)	C[3,6,6](C[3,6]C[6]O[3]H)(C[6]C[5a,6]HH)(C[6,6]C[6]2C)(O[3]C[3,6])	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6]HH)(H)	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[6]H){1|C<3>,4|C<4>,4|H<1>}	C[3,6,6](C[3,6]C[6]O[3]H)(C[6]C[5a,6]HH)(C[6,6]C[6]2C)(O[3]C[3,6]){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6]HH)(H){1|C<3>,3|C<4>,4|H<1>}	60.7800	0.000	1	60.7800	0.000	1	60.7800	0.000	1	60.8020	0.085	3	61.1579	0.303	62	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6,6]	C[3,6]	4:4:	4:4:4:2:	4:2:4:1:	C[3,6,6]-4:C[3,6]-4:	C[5,6,6]-4:C[6,6]-4:C[3,6]-4:O[3]-2:	C[3,6,6]-4:O[3]-2:C[6]-4:H-1:	O[3](C[3,6,6]C[5,6,6]C[3,6]C[6,6])(C[3,6]C[3,6,6]C[6]H)	C[3,6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])	C[3,6](C[3,6,6]C[5,6,6]C[6,6]O[3])(O[3]C[3,6,6])(C[6]C[6]HO)(H)	O[3](C[3,6,6]C[5,6,6]C[3,6]C[6,6])(C[3,6]C[3,6,6]C[6]H){1|H<1>,1|O<2>,2|C<3>,5|C<4>}	C[3,6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6]){2|C<4>,3|C<3>,3|O<2>,7|H<1>}	C[3,6](C[3,6,6]C[5,6,6]C[6,6]O[3])(O[3]C[3,6,6])(C[6]C[6]HO)(H){1|C<3>,1|H<1>,5|C<4>}	60.5214	0.000	1	60.5214	0.000	1	60.5214	0.000	1	60.8020	0.085	3	61.1579	0.303	62	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6,6]	C[3,6]	4:4:	4:4:4:2:	4:2:4:4:	C[3,6,6]-4:C[3,6]-4:	C[3,6]-4:C[6,6]-4:C[6]-4:O[3]-2:	C[3,6,6]-4:O[3]-2:C[6]-4:C-4:	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[6]C)	C[3,6,6](C[3,6]C[6]O[3]C)(C[6,6]C[6]2C)(C[6]C[6]HO)(O[3]C[3,6])	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6]HH)(CH3)	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[6]C){1|O<2>,3|H<1>,5|C<4>}	C[3,6,6](C[3,6]C[6]O[3]C)(C[6,6]C[6]2C)(C[6]C[6]HO)(O[3]C[3,6]){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6]HH)(CH3){1|O<2>,3|H<1>,4|C<4>}	62.1514	0.000	1	62.1514	0.000	1	62.1514	0.000	1	62.1514	0.000	1	61.1579	0.303	62	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6,6]	C[3,6]	4:4:	4:4:4:2:	4:3:2:1:	C[3,6,6]-4:C[3,6]-4:	C[3,6]-4:C[6,6]-4:C[6]-4:O[3]-2:	C[3,6,6]-4:C[5,6]-3:O[3]-2:H-1:	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[5,6]H)	C[3,6,6](C[3,6]C[5,6]O[3]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[3]C[3,6])	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[5,6]C[5,6]C[5])(O[3]C[3,6,6])(H)	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[5,6]H){1|C<3>,3|H<1>,4|C<4>}	C[3,6,6](C[3,6]C[5,6]O[3]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[3]C[3,6]){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[5,6]C[5,6]C[5])(O[3]C[3,6,6])(H){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	61.2931	0.000	1	61.2931	0.000	1	61.2931	0.000	1	61.5577	0.140	2	61.1579	0.303	62	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6,6]	C[3,6]	4:4:	4:4:4:2:	4:3:2:1:	C[3,6,6]-4:C[3,6]-4:	C[6,6]-4:C[3,6]-4:C[6]-4:O[3]-2:	C[3,6,6]-4:C[5,6]-3:O[3]-2:H-1:	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[5,6]H)	C[3,6,6](C[6,6]C[3,6]C[6,6]H)(C[3,6]C[5,6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[5,6]C[3,5,6]C[5])(O[3]C[3,6,6])(H)	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[5,6]H){1|C<3>,3|H<1>,4|C<4>}	C[3,6,6](C[6,6]C[3,6]C[6,6]H)(C[3,6]C[5,6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6]){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[5,6]C[3,5,6]C[5])(O[3]C[3,6,6])(H){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	61.8224	0.000	1	61.8224	0.000	1	61.8224	0.000	1	61.5577	0.140	2	61.1579	0.303	62	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6,6]	C[3,6]	4:4:	4:4:4:2:	4:4:2:1:	C[3,6,6]-4:C[3,6]-4:	C[3,6,6]-4:C[3,6]-4:C[3,6]-4:O[3]-2:	C[3,6,6]-4:C[6]-4:O[3]-2:H-1:	O[3](C[3,6,6]C[3,6,6]C[3,6]2)(C[3,6]C[3,6,6]C[6]H)	C[3,6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[3,6]C[3,6]C[3]O[3])(C[3,6]C[6]O[3]H)(O[3]C[3,6])	C[3,6](C[3,6,6]C[3,6,6]C[3,6]O[3])(C[6]C[6,6]HH)(O[3]C[3,6,6])(H)	O[3](C[3,6,6]C[3,6,6]C[3,6]2)(C[3,6]C[3,6,6]C[6]H){2|H<1>,2|O<2>,5|C<4>}	C[3,6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[3,6]C[3,6]C[3]O[3])(C[3,6]C[6]O[3]H)(O[3]C[3,6]){1|O<2>,5|C<4>,5|H<1>}	C[3,6](C[3,6,6]C[3,6,6]C[3,6]O[3])(C[6]C[6,6]HH)(O[3]C[3,6,6])(H){1|C<3>,1|H<1>,2|O<2>,4|C<4>}	61.5639	0.000	1	61.5639	0.000	1	61.5639	0.000	1	61.1610	0.245	23	61.1579	0.303	62	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6,6]	C[3,6]	4:4:	4:4:4:2:	4:4:2:1:	C[3,6,6]-4:C[3,6]-4:	C[3,6,6]-4:C[3,6]-4:C[6,6]-4:O[3]-2:	C[3,6,6]-4:C[3,6]-4:O[3]-2:H-1:	O[3](C[3,6,6]C[3,6,6]C[3,6]C[6,6])(C[3,6]C[3,6,6]C[3,6]H)	C[3,6,6](C[3,6,6]C[3,6]2O[3])(C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]C)(O[3]C[3,6])	C[3,6](C[3,6,6]C[3,6,6]C[6,6]O[3])(C[3,6]C[3,6]O[3]H)(O[3]C[3,6,6])(H)	O[3](C[3,6,6]C[3,6,6]C[3,6]C[6,6])(C[3,6]C[3,6,6]C[3,6]H){1|H<1>,2|O<2>,6|C<4>}	C[3,6,6](C[3,6,6]C[3,6]2O[3])(C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]C)(O[3]C[3,6]){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	C[3,6](C[3,6,6]C[3,6,6]C[6,6]O[3])(C[3,6]C[3,6]O[3]H)(O[3]C[3,6,6])(H){1|O<2>,6|C<4>}	60.7885	0.000	1	60.7885	0.000	1	60.9768	0.074	3	61.1610	0.245	23	61.1579	0.303	62	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6,6]	C[3,6]	4:4:	4:4:4:2:	4:4:2:1:	C[3,6,6]-4:C[3,6]-4:	C[3,6,6]-4:C[3,6]-4:C[6,6]-4:O[3]-2:	C[3,6,6]-4:C[3,6]-4:O[3]-2:H-1:	O[3](C[3,6,6]C[3,6,6]C[3,6]C[6,6])(C[3,6]C[3,6,6]C[3,6]H)	C[3,6,6](C[3,6,6]C[3,6]C[5,6]O[3])(C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]C)(O[3]C[3,6])	C[3,6](C[3,6,6]C[3,6,6]C[6,6]O[3])(C[3,6]C[3,6]O[3]H)(O[3]C[3,6,6])(H)	O[3](C[3,6,6]C[3,6,6]C[3,6]C[6,6])(C[3,6]C[3,6,6]C[3,6]H){1|H<1>,2|O<2>,6|C<4>}	C[3,6,6](C[3,6,6]C[3,6]C[5,6]O[3])(C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]C)(O[3]C[3,6]){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	C[3,6](C[3,6,6]C[3,6,6]C[6,6]O[3])(C[3,6]C[3,6]O[3]H)(O[3]C[3,6,6])(H){1|O<2>,6|C<4>}	61.2881	0.000	1	61.2881	0.000	1	60.9768	0.074	3	61.1610	0.245	23	61.1579	0.303	62	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6,6]	C[3,6]	4:4:	4:4:4:2:	4:4:2:1:	C[3,6,6]-4:C[3,6]-4:	C[3,6,6]-4:C[3,6]-4:C[6,6]-4:O[3]-2:	C[3,6,6]-4:C[3,6]-4:O[3]-2:H-1:	O[3](C[3,6,6]C[3,6,6]C[3,6]C[6,6])(C[3,6]C[3,6,6]C[3,6]H)	C[3,6,6](C[3,6,6]C[3,6]C[6]O[3])(C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]C)(O[3]C[3,6])	C[3,6](C[3,6,6]C[3,6,6]C[6,6]O[3])(C[3,6]C[3,6]O[3]H)(O[3]C[3,6,6])(H)	O[3](C[3,6,6]C[3,6,6]C[3,6]C[6,6])(C[3,6]C[3,6,6]C[3,6]H){1|C<3>,1|H<1>,2|O<2>,5|C<4>}	C[3,6,6](C[3,6,6]C[3,6]C[6]O[3])(C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]C)(O[3]C[3,6]){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	C[3,6](C[3,6,6]C[3,6,6]C[6,6]O[3])(C[3,6]C[3,6]O[3]H)(O[3]C[3,6,6])(H){1|C<3>,1|O<2>,5|C<4>}	60.8538	0.000	1	60.8538	0.000	1	60.9768	0.074	3	61.1610	0.245	23	61.1579	0.303	62	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6,6]	C[3,6]	4:4:	4:4:4:2:	4:4:2:1:	C[3,6,6]-4:C[3,6]-4:	C[3,6,6]-4:C[5,6]-4:C[3,6]-4:O[3]-2:	C[3,6,6]-4:C[6]-4:O[3]-2:H-1:	O[3](C[3,6,6]C[3,6,6]C[3,6]C[5,6])(C[3,6]C[3,6,6]C[6]H)	C[3,6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5,6]C[3,6]C[5]O[5])(C[3,6]C[6]O[3]H)(O[3]C[3,6])	C[3,6](C[3,6,6]C[3,6,6]C[5,6]O[3])(C[6]C[6,6]HH)(O[3]C[3,6,6])(H)	O[3](C[3,6,6]C[3,6,6]C[3,6]C[5,6])(C[3,6]C[3,6,6]C[6]H){2|H<1>,2|O<2>,5|C<4>}	C[3,6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5,6]C[3,6]C[5]O[5])(C[3,6]C[6]O[3]H)(O[3]C[3,6]){1|S<3>,2|O<2>,5|C<4>,5|H<1>}	C[3,6](C[3,6,6]C[3,6,6]C[5,6]O[3])(C[6]C[6,6]HH)(O[3]C[3,6,6])(H){1|C<3>,1|H<1>,2|O<2>,4|C<4>}	61.3236	0.000	1	61.3236	0.000	1	61.3236	0.000	1	61.1610	0.245	23	61.1579	0.303	62	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6,6]	C[3,6]	4:4:	4:4:4:2:	4:4:2:1:	C[3,6,6]-4:C[3,6]-4:	C[3,6]-4:C[6,6]-4:C[6,6]-4:O[3]-2:	C[3,6,6]-4:C[3x6]-4:O[3]-2:H-1:	O[3](C[3,6,6]C[3,6]C[6,6]2)(C[3,6]C[3,6,6]C[3x6]H)	C[3,6,6](C[3,6]C[3x6]O[3]H)(C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6]H)(O[3]C[3,6])	C[3,6](C[3,6,6]C[6,6]2O[3])(C[3x6]C[4x6]C[6,6]H)(O[3]C[3,6,6])(H)	O[3](C[3,6,6]C[3,6]C[6,6]2)(C[3,6]C[3,6,6]C[3x6]H){3|H<1>,6|C<4>}	C[3,6,6](C[3,6]C[3x6]O[3]H)(C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6]H)(O[3]C[3,6]){1|C<3>,5|H<1>,7|C<4>}	C[3,6](C[3,6,6]C[6,6]2O[3])(C[3x6]C[4x6]C[6,6]H)(O[3]C[3,6,6])(H){3|H<1>,3|O<2>,5|C<4>}	60.4034	0.000	1	60.4034	0.000	1	60.4034	0.000	1	61.1610	0.245	23	61.1579	0.303	62	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6,6]	C[3,6]	4:4:	4:4:4:2:	4:4:2:1:	C[3,6,6]-4:C[3,6]-4:	C[3,6]-4:C[6,6]-4:C[6]-4:O[3]-2:	C[3,6,6]-4:C[5,6]-4:O[3]-2:H-1:	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[5,6]H)	C[3,6,6](C[3,6]C[5,6]O[3]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[3]C[3,6])	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[5,6]C[5,6,6]O[5]H)(O[3]C[3,6,6])(H)	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[5,6]H){1|O<2>,4|C<4>,4|H<1>}	C[3,6,6](C[3,6]C[5,6]O[3]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[3]C[3,6]){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[5,6]C[5,6,6]O[5]H)(O[3]C[3,6,6])(H){1|C<3>,4|C<4>,4|H<1>}	60.5906	0.000	1	60.5906	0.000	1	60.5906	0.000	1	61.1610	0.245	23	61.1579	0.303	62	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6,6]	C[3,6]	4:4:	4:4:4:2:	4:4:2:1:	C[3,6,6]-4:C[3,6]-4:	C[6,6]-4:C[3,6]-4:C[6]-4:O[3]-2:	C[3,6,6]-4:C[6]-4:O[3]-2:H-1:	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[6]H)	C[3,6,6](C[6,6]C[3,6]C[6,6]C)(C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[6]C[3,6]HO)(O[3]C[3,6,6])(H)	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[6]H){1|O<2>,3|H<1>,5|C<4>}	C[3,6,6](C[6,6]C[3,6]C[6,6]C)(C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6]){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[6]C[3,6]HO)(O[3]C[3,6,6])(H){1|O<2>,3|H<1>,4|C<4>}	61.4022	0.000	1	61.4022	0.000	1	60.9663	0.074	8	61.1610	0.245	23	61.1579	0.303	62	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6,6]	C[3,6]	4:4:	4:4:4:2:	4:4:2:1:	C[3,6,6]-4:C[3,6]-4:	C[6,6]-4:C[3,6]-4:C[6]-4:O[3]-2:	C[3,6,6]-4:C[6]-4:O[3]-2:H-1:	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[6]H)	C[3,6,6](C[6,6]C[3,6]C[6]O)(C[3,6]C[6]O[3]H)(C[6]C[6,6]HH)(O[3]C[3,6])	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[6]C[3,6]HO)(O[3]C[3,6,6])(H)	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[6]H){2|O<2>,3|H<1>,4|C<4>}	C[3,6,6](C[6,6]C[3,6]C[6]O)(C[3,6]C[6]O[3]H)(C[6]C[6,6]HH)(O[3]C[3,6]){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[6]C[3,6]HO)(O[3]C[3,6,6])(H){2|H<1>,2|O<2>,4|C<4>}	60.6927	0.000	1	60.6927	0.000	1	60.9663	0.074	8	61.1610	0.245	23	61.1579	0.303	62	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6,6]	C[3,6]	4:4:	4:4:4:2:	4:4:2:1:	C[3,6,6]-4:C[3,6]-4:	C[6,6]-4:C[3,6]-4:C[6]-4:O[3]-2:	C[3,6,6]-4:C[6]-4:O[3]-2:H-1:	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[6]H)	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[6]C[6,6]ClH)(O[3]C[3,6,6])(H)	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[6]H){1|Cl<1>,3|H<1>,5|C<4>}	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6]){1|Cl<1>,1|O<2>,3|C<4>,5|H<1>}	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[6]C[6,6]ClH)(O[3]C[3,6,6])(H){3|H<1>,5|C<4>}	60.8220	0.000	1	60.8220	0.000	1	60.9663	0.074	8	61.1610	0.245	23	61.1579	0.303	62	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6,6]	C[3,6]	4:4:	4:4:4:2:	4:4:2:1:	C[3,6,6]-4:C[3,6]-4:	C[6,6]-4:C[3,6]-4:C[6]-4:O[3]-2:	C[3,6,6]-4:C[6]-4:O[3]-2:H-1:	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[6]H)	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[6]C[6,6]HH)(O[3]C[3,6,6])(H)	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[6]H){2|C<3>,3|C<4>,4|H<1>}	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6]){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[6]C[6,6]HH)(O[3]C[3,6,6])(H){2|C<3>,3|C<4>,3|H<1>}	60.8401	0.318	2	60.9905	0.072	4	60.9663	0.074	8	61.1610	0.245	23	61.1579	0.303	62	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6,6]	C[3,6]	4:4:	4:4:4:2:	4:4:2:1:	C[3,6,6]-4:C[3,6]-4:	C[6,6]-4:C[3,6]-4:C[6]-4:O[3]-2:	C[3,6,6]-4:C[6]-4:O[3]-2:H-1:	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[6]H)	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[6]C[6,6]HH)(O[3]C[3,6,6])(H)	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[6]H){4|H<1>,5|C<4>}	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6]){1|O<2>,3|C<4>,6|H<1>}	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[6]C[6,6]HH)(O[3]C[3,6,6])(H){3|H<1>,5|C<4>}	61.1409	0.159	2	60.9905	0.072	4	60.9663	0.074	8	61.1610	0.245	23	61.1579	0.303	62	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6,6]	C[3,6]	4:4:	4:4:4:2:	4:4:2:1:	C[3,6,6]-4:C[3,6]-4:	C[6,6]-4:C[3,6]-4:C[6]-4:O[3]-2:	C[3,6,6]-4:C[6]-4:O[3]-2:H-1:	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[6]H)	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[6]C[6,6]HH)(O[3]C[3,6,6])(H)	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[6]H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6]){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[6]C[6,6]HH)(O[3]C[3,6,6])(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	60.8517	0.000	1	60.8517	0.000	1	60.9663	0.074	8	61.1610	0.245	23	61.1579	0.303	62	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6,6]	C[3,6]	4:4:	4:4:4:2:	4:4:2:1:	C[3,6,6]-4:C[3,6]-4:	C[6,6]-4:C[6,6]-4:C[3,6]-4:O[3]-2:	C[3,6,6]-4:C[6]-4:O[3]-2:H-1:	O[3](C[3,6,6]C[3,6]C[6,6]2)(C[3,6]C[3,6,6]C[6]H)	C[3,6,6](C[6,6]C[3,5,6]C[6]C)(C[6,6]C[5,6,6]C[6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])	C[3,6](C[3,6,6]C[6,6]2O[3])(C[6]C[5,6]HH)(O[3]C[3,6,6])(H)	O[3](C[3,6,6]C[3,6]C[6,6]2)(C[3,6]C[3,6,6]C[6]H){2|C<3>,2|H<1>,5|C<4>}	C[3,6,6](C[6,6]C[3,5,6]C[6]C)(C[6,6]C[5,6,6]C[6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6]){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[3,6](C[3,6,6]C[6,6]2O[3])(C[6]C[5,6]HH)(O[3]C[3,6,6])(H){2|C<3>,6|C<4>}	61.9376	0.226	2	61.9376	0.051	2	61.7764	0.104	6	61.1610	0.245	23	61.1579	0.303	62	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6,6]	C[3,6]	4:4:	4:4:4:2:	4:4:2:1:	C[3,6,6]-4:C[3,6]-4:	C[6,6]-4:C[6,6]-4:C[3,6]-4:O[3]-2:	C[3,6,6]-4:C[6]-4:O[3]-2:H-1:	O[3](C[3,6,6]C[3,6]C[6,6]2)(C[3,6]C[3,6,6]C[6]H)	C[3,6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])	C[3,6](C[3,6,6]C[6,6]2O[3])(C[6]C[5,6]HH)(O[3]C[3,6,6])(H)	O[3](C[3,6,6]C[3,6]C[6,6]2)(C[3,6]C[3,6,6]C[6]H){1|C<3>,3|H<1>,5|C<4>}	C[3,6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6]){1|O<1>,5|H<1>,6|C<4>}	C[3,6](C[3,6,6]C[6,6]2O[3])(C[6]C[5,6]HH)(O[3]C[3,6,6])(H){1|C<3>,1|H<1>,6|C<4>}	61.4327	0.000	1	61.7677	0.165	3	61.7764	0.104	6	61.1610	0.245	23	61.1579	0.303	62	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6,6]	C[3,6]	4:4:	4:4:4:2:	4:4:2:1:	C[3,6,6]-4:C[3,6]-4:	C[6,6]-4:C[6,6]-4:C[3,6]-4:O[3]-2:	C[3,6,6]-4:C[6]-4:O[3]-2:H-1:	O[3](C[3,6,6]C[3,6]C[6,6]2)(C[3,6]C[3,6,6]C[6]H)	C[3,6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])	C[3,6](C[3,6,6]C[6,6]2O[3])(C[6]C[5,6]HH)(O[3]C[3,6,6])(H)	O[3](C[3,6,6]C[3,6]C[6,6]2)(C[3,6]C[3,6,6]C[6]H){2|C<3>,3|H<1>,4|C<4>}	C[3,6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6]){2|C<3>,3|C<4>,6|H<1>}	C[3,6](C[3,6,6]C[6,6]2O[3])(C[6]C[5,6]HH)(O[3]C[3,6,6])(H){1|H<1>,3|C<3>,4|C<4>}	61.6502	0.000	1	61.7677	0.165	3	61.7764	0.104	6	61.1610	0.245	23	61.1579	0.303	62	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6,6]	C[3,6]	4:4:	4:4:4:2:	4:4:2:1:	C[3,6,6]-4:C[3,6]-4:	C[6,6]-4:C[6,6]-4:C[3,6]-4:O[3]-2:	C[3,6,6]-4:C[6]-4:O[3]-2:H-1:	O[3](C[3,6,6]C[3,6]C[6,6]2)(C[3,6]C[3,6,6]C[6]H)	C[3,6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])	C[3,6](C[3,6,6]C[6,6]2O[3])(C[6]C[5,6]HH)(O[3]C[3,6,6])(H)	O[3](C[3,6,6]C[3,6]C[6,6]2)(C[3,6]C[3,6,6]C[6]H){3|H<1>,6|C<4>}	C[3,6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6]){5|C<4>,8|H<1>}	C[3,6](C[3,6,6]C[6,6]2O[3])(C[6]C[5,6]HH)(O[3]C[3,6,6])(H){1|C<3>,1|H<1>,6|C<4>}	62.2201	0.000	1	61.7677	0.165	3	61.7764	0.104	6	61.1610	0.245	23	61.1579	0.303	62	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6,6]	C[3,6]	4:4:	4:4:4:2:	4:4:2:1:	C[3,6,6]-4:C[3,6]-4:	C[6,6]-4:C[6,6]-4:C[3,6]-4:O[3]-2:	C[3,6,6]-4:C[6]-4:O[3]-2:H-1:	O[3](C[3,6,6]C[3,6]C[6,6]2)(C[3,6]C[3,6,6]C[6]H)	C[3,6,6](C[6,6]C[5a,6,6]C[6]C)(C[6,6]C[5,6]C[6]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])	C[3,6](C[3,6,6]C[6,6]2O[3])(C[6]C[5,6]HH)(O[3]C[3,6,6])(H)	O[3](C[3,6,6]C[3,6]C[6,6]2)(C[3,6]C[3,6,6]C[6]H){2|C<3>,3|H<1>,4|C<4>}	C[3,6,6](C[6,6]C[5a,6,6]C[6]C)(C[6,6]C[5,6]C[6]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6]){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[3,6](C[3,6,6]C[6,6]2O[3])(C[6]C[5,6]HH)(O[3]C[3,6,6])(H){1|H<1>,3|C<3>,4|C<4>}	61.4803	0.000	1	61.4803	0.000	1	61.7764	0.104	6	61.1610	0.245	23	61.1579	0.303	62	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6,6]	C[3,6]	4:4:	4:4:4:2:	4:4:2:1:	C[3,6]-4:C[3,6,6]-4:	C[3,6]-4:C[6,6]-4:C[6,6]-4:O[3]-2:	C[5,6,6]-4:C[3,6,6]-4:O[3]-2:H-1:	O[3](C[3,6]C[3,6,6]C[5,6,6]H)(C[3,6,6]C[3,6]C[6,6]2)	C[3,6,6](C[3,6]C[5,6,6]O[3]H)(C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]H)(O[3]C[3,6])	C[3,6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[3,6,6]C[6,6]2O[3])(O[3]C[3,6,6])(H)	O[3](C[3,6]C[3,6,6]C[5,6,6]H)(C[3,6,6]C[3,6]C[6,6]2){3|H<1>,6|C<4>}	C[3,6,6](C[3,6]C[5,6,6]O[3]H)(C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]H)(O[3]C[3,6]){1|C<3>,5|H<1>,7|C<4>}	C[3,6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[3,6,6]C[6,6]2O[3])(O[3]C[3,6,6])(H){2|O<2>,3|H<1>,6|C<4>}	60.7506	0.331	2	60.7506	0.110	2	60.7506	0.110	2	61.1610	0.245	23	61.1579	0.303	62	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6,6]	C[3]	4:4:	3:4:4:2:	4:2:1:1:	C[3,6,6]-4:C[3]-4:	C[6,6]-3:C[3x6]-4:C[3]-4:O[3]-2:	C[3,6,6]-4:O[3]-2:H-1:H-1:	O[3](C[3,6,6]C[3x6]C[6,6]C[3])(C[3]C[3,6,6]HH)	C[3,6,6](C[6,6]C[5,4x6]O)(C[3x6]C[6,6]2H)(C[3]O[3]HH)(O[3]C[3])	C[3](C[3,6,6]C[3x6]C[6,6]O[3])(O[3]C[3,6,6])(H)2	O[3](C[3,6,6]C[3x6]C[6,6]C[3])(C[3]C[3,6,6]HH){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[3,6,6](C[6,6]C[5,4x6]O)(C[3x6]C[6,6]2H)(C[3]O[3]HH)(O[3]C[3]){1|C<3>,2|C<4>,3|H<1>}	C[3](C[3,6,6]C[3x6]C[6,6]O[3])(O[3]C[3,6,6])(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	61.2409	0.022	2	61.2409	0.000	2	61.2409	0.000	2	61.2409	0.000	2	61.0615	0.150	15	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6,6]	C[3]	4:4:	4:3:4:2:	4:2:1:1:	C[3,6,6]-4:C[3]-4:	C[3x6]-4:C[6,6]-3:C[3]-4:O[3]-2:	C[3,6,6]-4:O[3]-2:H-1:H-1:	O[3](C[3,6,6]C[3x6]C[6,6]C[3])(C[3]C[3,6,6]HH)	C[3,6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(C[3]O[3]HH)(O[3]C[3])	C[3](C[3,6,6]C[3x6]C[6,6]O[3])(O[3]C[3,6,6])(H)2	O[3](C[3,6,6]C[3x6]C[6,6]C[3])(C[3]C[3,6,6]HH){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[3,6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(C[3]O[3]HH)(O[3]C[3]){1|C<3>,2|H<1>,3|C<4>}	C[3](C[3,6,6]C[3x6]C[6,6]O[3])(O[3]C[3,6,6])(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	61.0898	0.626	3	61.0898	0.392	3	61.0569	0.216	9	61.0569	0.216	9	61.0615	0.150	15	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6,6]	C[3]	4:4:	4:3:4:2:	4:2:1:1:	C[3,6,6]-4:C[3]-4:	C[3x6]-4:C[6,6]-3:C[3]-4:O[3]-2:	C[3,6,6]-4:O[3]-2:H-1:H-1:	O[3](C[3,6,6]C[3x6]C[6,6]C[3])(C[3]C[3,6,6]HH)	C[3,6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(C[3]O[3]HH)(O[3]C[3])	C[3](C[3,6,6]C[3x6]C[6,6]O[3])(O[3]C[3,6,6])(H)2	O[3](C[3,6,6]C[3x6]C[6,6]C[3])(C[3]C[3,6,6]HH){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[3,6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(C[3]O[3]HH)(O[3]C[3]){1|C<3>,2|C<4>,3|H<1>}	C[3](C[3,6,6]C[3x6]C[6,6]O[3])(O[3]C[3,6,6])(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	60.8508	0.532	3	60.8508	0.283	3	61.0569	0.216	9	61.0569	0.216	9	61.0615	0.150	15	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6,6]	C[3]	4:4:	4:3:4:2:	4:2:1:1:	C[3,6,6]-4:C[3]-4:	C[3x6]-4:C[6,6]-3:C[3]-4:O[3]-2:	C[3,6,6]-4:O[3]-2:H-1:H-1:	O[3](C[3,6,6]C[3x6]C[6,6]C[3])(C[3]C[3,6,6]HH)	C[3,6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]O)(C[3]O[3]HH)(O[3]C[3])	C[3](C[3,6,6]C[3x6]C[6,6]O[3])(O[3]C[3,6,6])(H)2	O[3](C[3,6,6]C[3x6]C[6,6]C[3])(C[3]C[3,6,6]HH){1|C<3>,1|N<3>,1|O<1>,2|C<4>}	C[3,6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]O)(C[3]O[3]HH)(O[3]C[3]){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[3](C[3,6,6]C[3x6]C[6,6]O[3])(O[3]C[3,6,6])(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>}	61.2727	0.000	1	61.3790	0.023	2	61.0569	0.216	9	61.0569	0.216	9	61.0615	0.150	15	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6,6]	C[3]	4:4:	4:3:4:2:	4:2:1:1:	C[3,6,6]-4:C[3]-4:	C[3x6]-4:C[6,6]-3:C[3]-4:O[3]-2:	C[3,6,6]-4:O[3]-2:H-1:H-1:	O[3](C[3,6,6]C[3x6]C[6,6]C[3])(C[3]C[3,6,6]HH)	C[3,6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]O)(C[3]O[3]HH)(O[3]C[3])	C[3](C[3,6,6]C[3x6]C[6,6]O[3])(O[3]C[3,6,6])(H)2	O[3](C[3,6,6]C[3x6]C[6,6]C[3])(C[3]C[3,6,6]HH){1|N<3>,1|O<1>,3|C<4>}	C[3,6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]O)(C[3]O[3]HH)(O[3]C[3]){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[3](C[3,6,6]C[3x6]C[6,6]O[3])(O[3]C[3,6,6])(H)2{1|N<3>,1|O<1>,3|C<4>}	61.4854	0.000	1	61.3790	0.023	2	61.0569	0.216	9	61.0569	0.216	9	61.0615	0.150	15	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6,6]	C[3]	4:4:	4:3:4:2:	4:2:1:1:	C[3,6,6]-4:C[3]-4:	C[3x6]-4:C[6,6]-3:C[3]-4:O[3]-2:	C[3,6,6]-4:O[3]-2:H-1:H-1:	O[3](C[3,6,6]C[3x6]C[6,6]C[3])(C[3]C[3,6,6]HH)	C[3,6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]O)(C[3]O[3]HH)(O[3]C[3])	C[3](C[3,6,6]C[3x6]C[6,6]O[3])(O[3]C[3,6,6])(H)2	O[3](C[3,6,6]C[3x6]C[6,6]C[3])(C[3]C[3,6,6]HH){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[3,6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]O)(C[3]O[3]HH)(O[3]C[3]){1|Cl<1>,1|H<1>,1|O<2>,2|C<3>}	C[3](C[3,6,6]C[3x6]C[6,6]O[3])(O[3]C[3,6,6])(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	60.9318	0.000	1	60.9318	0.000	1	61.0569	0.216	9	61.0569	0.216	9	61.0615	0.150	15	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6,6]	C[3]	4:4:	4:4:4:2:	4:2:1:1:	C[3,6,6]-4:C[3]-4:	C[6,6]-4:C[3x6]-4:C[3]-4:O[3]-2:	C[3,6,6]-4:O[3]-2:H-1:H-1:	O[3](C[3,6,6]C[3x6]C[6,6]C[3])(C[3]C[3,6,6]HH)	C[3,6,6](C[6,6]C[5,4x6]OO)(C[3x6]C[6,6]2H)(C[3]O[3]HH)(O[3]C[3])	C[3](C[3,6,6]C[3x6]C[6,6]O[3])(O[3]C[3,6,6])(H)2	O[3](C[3,6,6]C[3x6]C[6,6]C[3])(C[3]C[3,6,6]HH){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[3,6,6](C[6,6]C[5,4x6]OO)(C[3x6]C[6,6]2H)(C[3]O[3]HH)(O[3]C[3]){1|C<3>,2|C<4>,3|H<1>}	C[3](C[3,6,6]C[3x6]C[6,6]O[3])(O[3]C[3,6,6])(H)2{1|C<3>,1|H<1>,2|C<4>,2|O<2>}	60.7537	0.000	1	60.7537	0.000	1	60.7537	0.000	1	60.7537	0.000	1	61.0615	0.150	15	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6,6]	C[3]	4:4:	4:4:4:2:	4:2:4:1:	C[3,6,6]-4:C[3]-4:	C[3x6]-4:C[6,6]-4:C[3]-4:O[3]-2:	C[3,6,6]-4:O[3]-2:C-4:H-1:	O[3](C[3,6,6]C[3x6]C[6,6]C[3])(C[3]C[3,6,6]CH)	C[3,6,6](C[3x6]N[6,6]O[6,6]H)(C[6,6]C[3x6]CH)(C[3]O[3]CH)(O[3]C[3])	C[3](C[3,6,6]C[3x6]C[6,6]O[3])(O[3]C[3,6,6])(CH3)(H)	O[3](C[3,6,6]C[3x6]C[6,6]C[3])(C[3]C[3,6,6]CH){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[3,6,6](C[3x6]N[6,6]O[6,6]H)(C[6,6]C[3x6]CH)(C[3]O[3]CH)(O[3]C[3]){1|C<3>,3|C<4>}	C[3](C[3,6,6]C[3x6]C[6,6]O[3])(O[3]C[3,6,6])(CH3)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	61.2240	0.234	2	61.2240	0.055	2	61.2240	0.055	2	61.0584	0.110	3	61.0615	0.150	15	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6,6]	C[3]	4:4:	4:4:4:2:	4:2:4:1:	C[3,6,6]-4:C[3]-4:	C[5,6,6]-4:C[6,6]-4:C[3]-4:O[3]-2:	C[3,6,6]-4:O[3]-2:C-4:H-1:	O[3](C[3,6,6]C[5,6,6]C[6,6]C[3])(C[3]C[3,6,6]CH)	C[3,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6]2H)(C[3]O[3]CH)(O[3]C[3])	C[3](C[3,6,6]C[5,6,6]C[6,6]O[3])(O[3]C[3,6,6])(CH3)(H)	O[3](C[3,6,6]C[5,6,6]C[6,6]C[3])(C[3]C[3,6,6]CH){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[3,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6]2H)(C[3]O[3]CH)(O[3]C[3]){2|H<1>,3|C<3>,3|C<4>}	C[3](C[3,6,6]C[5,6,6]C[6,6]O[3])(O[3]C[3,6,6])(CH3)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	60.7274	0.000	1	60.7274	0.000	1	60.7274	0.000	1	61.0584	0.110	3	61.0615	0.150	15	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,5,6]	4:4:	4:4:2:1:	4:4:2:3:	C[3,5,6]-4:C[3,6]-4:	C[3,5,6]-4:C[6,6]-4:O[3]-2:H-1:	C[3,6]-4:C[5,6]-4:O[3]-2:C[5]-3:	O[3](C[3,5,6]C[3,6]C[5,6]C[5])(C[3,6]C[3,5,6]C[6,6]H)	C[3,6](C[3,5,6]C[5,6]C[5]O[3])(C[6,6]C[6,6]C[6]C)(O[3]C[3,5,6])(H)	C[3,5,6](C[3,6]C[6,6]O[3]H)(C[5,6]C[6]O[5]O)(O[3]C[3,6])(C[5]C[5]C)	O[3](C[3,5,6]C[3,6]C[5,6]C[5])(C[3,6]C[3,5,6]C[6,6]H){1|C<3>,2|O<2>,5|C<4>}	C[3,6](C[3,5,6]C[5,6]C[5]O[3])(C[6,6]C[6,6]C[6]C)(O[3]C[3,5,6])(H){1|C<3>,2|H<1>,2|O<2>,5|C<4>}	C[3,5,6](C[3,6]C[6,6]O[3]H)(C[5,6]C[6]O[5]O)(O[3]C[3,6])(C[5]C[5]C){1|O<2>,3|C<4>,3|H<1>}	61.1154	0.000	1	61.1154	0.000	1	61.1154	0.000	1	61.1154	0.000	1	61.1154	0.000	1	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6,6]	4:4:	4:4:2:1:	4:4:3:2:	C[3,6,6]-4:C[3,6]-4:	C[3,6,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6,6]-4:C[3,6]-4:C[6]-3:O[3]-2:	O[3](C[3,6,6]C[3,6,6]C[3,6]C[6])(C[3,6]C[3,6,6]C[6]H)	C[3,6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6,6]HH)(O[3]C[3,6,6])(H)	C[3,6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[3,6]C[6]O[3]H)(C[6]C[3,6]O)(O[3]C[3,6])	O[3](C[3,6,6]C[3,6,6]C[3,6]C[6])(C[3,6]C[3,6,6]C[6]H){1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[3,6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6,6]HH)(O[3]C[3,6,6])(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[3,6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[3,6]C[6]O[3]H)(C[6]C[3,6]O)(O[3]C[3,6]){1|O<2>,3|H<1>,5|C<4>}	61.8299	0.000	1	61.8299	0.000	1	61.8299	0.000	1	61.8299	0.000	1	61.4124	0.770	4	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6,6]	4:4:	4:4:2:1:	4:4:4:2:	C[3,6,6]-4:C[3,6]-4:	C[3,6,6]-4:C[6,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6,6]-4:C[6]-4:O[3]-2:	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[6,6]H)	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(O[3]C[3,6,6])(H)	C[3,6,6](C[3,6]C[6,6]O[3]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(O[3]C[3,6])	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[6,6]H){1|C<3>,3|H<1>,5|C<4>}	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(O[3]C[3,6,6])(H){1|C<3>,1|O<2>,4|H<1>,5|C<4>}	C[3,6,6](C[3,6]C[6,6]O[3]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(O[3]C[3,6]){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	60.7683	0.740	2	60.7683	0.547	2	60.7683	0.547	2	60.7683	0.547	2	61.4124	0.770	4	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6,6]	4:4:	4:4:2:3:	4:3:2:3:	C[3,6,6]-4:C[3,6]-4:	C[3,6,6]-4:C[6]-4:O[3]-2:C[6a]-3:	C[3,6]-4:N[6,6]-3:O[3]-2:C[6]-3:	O[3](C[3,6,6]C[3,6]N[6,6]C[6])(C[3,6]C[3,6,6]C[6a]C[6])	C[3,6](C[3,6,6]N[6,6]C[6]O[3])(C[6]C[6,6a]HO)(O[3]C[3,6,6])(C[6a]C[6a]2)	C[3,6,6](C[3,6]C[6a]C[6]O[3])(N[6,6]C[6,6a]C[6])(O[3]C[3,6])(C[6]N[6]O)	O[3](C[3,6,6]C[3,6]N[6,6]C[6])(C[3,6]C[3,6,6]C[6a]C[6]){1|H<1>,1|N<3>,1|O<1>,1|O<2>,5|C<3>}	C[3,6](C[3,6,6]N[6,6]C[6]O[3])(C[6]C[6,6a]HO)(O[3]C[3,6,6])(C[6a]C[6a]2){1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[3,6,6](C[3,6]C[6a]C[6]O[3])(N[6,6]C[6,6a]C[6])(O[3]C[3,6])(C[6]N[6]O){1|H<1>,1|O<1>,1|O<2>,2|C<4>,4|C<3>}	62.2831	0.000	1	62.2831	0.000	1	62.2831	0.000	1	62.2831	0.000	1	61.4124	0.770	4	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	3:4:2:1:	4:3:2:1:	C[3,6]-4:C[3,6]-4:	C[6,6a]-3:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-3:O[3]-2:H-1:	O[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]H)	C[3,6](C[6,6a]C[6,6,6a]C[6a])(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6,6a]O[3]H)(C[6]C[6,6]O)(O[3]C[3,6])(H)	O[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]H){1|C<4>,1|O<1>,2|C<3>}	C[3,6](C[6,6a]C[6,6,6a]C[6a])(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[3,6](C[3,6]C[6,6a]O[3]H)(C[6]C[6,6]O)(O[3]C[3,6])(H){1|O<2>,3|C<3>}	62.1968	0.316	2	62.1968	0.100	2	62.1968	0.100	2	62.1968	0.100	2	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	3:4:2:1:	4:4:2:1:	C[3,6]-4:C[3,6]-4:	C[5,6]-3:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	O[3](C[3,6]C[3,6]C[5,6]H)(C[3,6]C[3,6]C[6]H)	C[3,6](C[5,6]C[5,6]C[5])(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[5,6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[5,6]H)(C[3,6]C[3,6]C[6]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[3,6](C[5,6]C[5,6]C[5])(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|N<3>,1|O<2>,2|C<4>,3|H<1>}	C[3,6](C[3,6]C[5,6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H){1|C<3>,1|C<4>,2|H<1>}	60.4829	0.190	2	60.4829	0.036	2	60.4829	0.036	2	60.7172	0.202	4	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	3:4:2:1:	4:4:2:1:	C[3,6]-4:C[3,6]-4:	C[6,6a]-3:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	O[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6,6a]O[3]H)(C[6]C[6]CH)(O[3]C[3,6])(H)	O[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]H){1|C<4>,1|H<1>,3|C<3>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|C<4>,2|H<1>,3|C<3>}	C[3,6](C[3,6]C[6,6a]O[3]H)(C[6]C[6]CH)(O[3]C[3,6])(H){1|H<1>,3|C<3>}	61.3707	0.000	1	61.3707	0.000	1	61.3707	0.000	1	60.7172	0.202	4	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	3:4:2:1:	4:4:2:1:	C[3,6]-4:C[3,6]-4:	C[6,6a]-3:C[3,6]-4:O[3]-2:H-1:	C[4,6]-4:C[3,6]-4:O[3]-2:H-1:	O[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[4,6]H)	C[3,6](C[6,6a]C[6,6,6a]C[6a])(C[3,6]C[4,6]O[3]H)(O[3]C[3,6])(H)	C[3,6](C[4,6]C[4,6,6]C[4]H)(C[3,6]C[6,6a]O[3]H)(O[3]C[3,6])(H)	O[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[4,6]H){1|C<4>,1|H<1>,3|C<3>}	C[3,6](C[6,6a]C[6,6,6a]C[6a])(C[3,6]C[4,6]O[3]H)(O[3]C[3,6])(H){1|C<4>,2|H<1>,3|C<3>}	C[3,6](C[4,6]C[4,6,6]C[4]H)(C[3,6]C[6,6a]O[3]H)(O[3]C[3,6])(H){1|H<1>,4|C<3>}	60.5323	0.000	1	60.5323	0.000	1	60.5323	0.000	1	60.7172	0.202	4	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	3:4:2:4:	4:4:2:1:	C[3,6]-4:C[3,6]-4:	C[6,6]-3:C[3,6]-4:O[3]-2:C-4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	O[3](C[3,6]C[3,6]C[6,6]C)(C[3,6]C[3,6]C[6]H)	C[3,6](C[6,6]C[6,6]O[6])(C[3,6]C[6]O[3]H)(O[3]C[3,6])(CC3)	C[3,6](C[3,6]C[6,6]O[3]C)(C[6]C[6]CO)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6,6]C)(C[3,6]C[3,6]C[6]H){1|C<4>,2|C<3>,2|O<2>}	C[3,6](C[6,6]C[6,6]O[6])(C[3,6]C[6]O[3]H)(O[3]C[3,6])(CC3){1|C<3>,1|O<2>,3|C<4>}	C[3,6](C[3,6]C[6,6]O[3]C)(C[6]C[6]CO)(O[3]C[3,6])(H){1|C<3>,1|O<1>,1|O<2>}	61.0083	0.000	1	61.0083	0.000	1	61.0083	0.000	1	61.0083	0.000	1	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:2:3:1:	4:4:2:1:	C[3,6]-4:C[3,6]-4:	C[3,6]-4:O[3]-2:C[6]-3:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	O[3](C[3,6]C[3,6]C[6]H)2	C[3,6](C[3,6]C[6]O[3]H)(O[3]C[3,6])(C[6]C[6]H)(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(O[3]C[3,6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H){1|C<3>,1|O<2>,2|H<1>}	60.3325	0.000	1	60.3325	0.000	1	60.3325	0.000	1	60.3325	0.000	1	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:2:3:4:	4:2:3:2:	C[3,6]-4:C[3,6]-4:	C[3,6]-4:O[3]-2:C[6]-3:C-4:	C[3,6]-4:O[3]-2:C[6]-3:O-2:	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]O)	C[3,6](C[3,6]C[6]O[3]O)(O[3]C[3,6])(C[6]C[6]O)(CCHH)	C[3,6](C[3,6]C[6]O[3]C)(O[3]C[3,6])(C[6]C[6]O)(OC)	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]O){2|C<3>,2|O<1>}	C[3,6](C[3,6]C[6]O[3]O)(O[3]C[3,6])(C[6]C[6]O)(CCHH){1|C<3>,1|N<3>,1|O<1>}	C[3,6](C[3,6]C[6]O[3]C)(O[3]C[3,6])(C[6]C[6]O)(OC){1|C<3>,1|H<1>,1|O<1>}	61.7159	0.440	2	61.7159	0.193	2	61.7159	0.193	2	61.7159	0.193	2	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:2:3:4:	4:4:2:1:	C[3,6]-4:C[3,6]-4:	C[3,6]-4:O[3]-2:C[6]-3:C-4:	C[3,6]-4:C[6,6]-4:O[3]-2:H-1:	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]C)	C[3,6](C[3,6]C[6,6]O[3]H)(O[3]C[3,6])(C[6]C[6]O)(CCHH)	C[3,6](C[3,6]C[6]O[3]C)(C[6,6]C[6]O[6]2)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]C){1|O<1>,2|C<3>,2|O<2>}	C[3,6](C[3,6]C[6,6]O[3]H)(O[3]C[3,6])(C[6]C[6]O)(CCHH){1|Br<1>,1|C<3>,2|O<2>}	C[3,6](C[3,6]C[6]O[3]C)(C[6,6]C[6]O[6]2)(O[3]C[3,6])(H){1|O<1>,2|C<3>,2|C<4>}	60.7928	0.000	1	60.7928	0.000	1	60.7928	0.000	1	60.7928	0.000	1	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:3:2:1:	4:3:2:1:	C[3,6]-4:C[3,6]-4:	C[3,6]-4:C[6,6]-3:O[3]-2:H-1:	C[3,6]-4:C[6,6]-3:O[3]-2:H-1:	O[3](C[3,6]C[3,6]C[6,6]H)2	C[3,6](C[3,6]C[6,6]O[3]H)(C[6,6]C[6,6]C[6])(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6,6]O[3]H)(C[6,6]C[6,6]C[6])(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6,6]H)2{4|C<3>}	C[3,6](C[3,6]C[6,6]O[3]H)(C[6,6]C[6,6]C[6])(O[3]C[3,6])(H){1|H<1>,1|N<3>,3|C<3>}	C[3,6](C[3,6]C[6,6]O[3]H)(C[6,6]C[6,6]C[6])(O[3]C[3,6])(H){1|H<1>,1|N<3>,3|C<3>}	61.4706	0.000	1	61.4706	0.000	1	61.4706	0.000	1	61.4706	0.000	1	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:3:2:1:	4:4:2:1:	C[3,6]-4:C[3,6]-4:	C[3,6]-4:C[6]-3:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	O[3](C[3,6]C[3,6]C[6]H)2	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]O)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]HO)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]O)(O[3]C[3,6])(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]HO)(O[3]C[3,6])(H){1|C<3>,1|C<4>,1|O<1>}	61.4185	0.105	2	61.4185	0.011	2	61.4185	0.011	2	61.4185	0.011	2	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:3:2:1:	4:4:2:4:	C[3,6]-4:C[3,6]-4:	C[3,6]-4:C[6]-3:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6,6]O)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]HO)(O[3]C[3,6])(CH3)	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6,6]O)(O[3]C[3,6])(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]HO)(O[3]C[3,6])(CH3){1|C<3>,1|C<4>,2|O<2>}	60.9352	0.288	2	60.9352	0.083	2	60.9352	0.083	2	60.9352	0.083	2	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:3:2:3:	4:4:2:1:	C[3,6]-4:C[3,6]-4:	C[3,6]-4:C[6a]-3:O[3]-2:N[6]-3:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	O[3](C[3,6]C[3,6]C[6a]N[6])(C[3,6]C[3,6]C[6]H)	C[3,6](C[3,6]C[6]O[3]H)(C[6a]C[6a]2)(O[3]C[3,6])(N[6]C[6]S)	C[3,6](C[3,6]C[6a]N[6]O[3])(C[6]C[6]CH)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6a]N[6])(C[3,6]C[3,6]C[6]H){1|C<4>,1|H<1>,1|S<4>,4|C<3>}	C[3,6](C[3,6]C[6]O[3]H)(C[6a]C[6a]2)(O[3]C[3,6])(N[6]C[6]S){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[3,6](C[3,6]C[6a]N[6]O[3])(C[6]C[6]CH)(O[3]C[3,6])(H){1|H<1>,1|S<4>,4|C<3>}	61.2082	0.000	1	61.2082	0.000	1	61.2082	0.000	1	61.2082	0.000	1	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:3:2:4:	4:3:2:1:	C[3,6]-4:C[3,6]-4:	C[3,6]-4:C[6]-3:O[3]-2:C-4:	C[3,6]-4:C[6]-3:O[3]-2:H-1:	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6]O)(O[3]C[3,6])(CH3)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[3,6]O)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H){2|C<4>,2|O<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6]O)(O[3]C[3,6])(CH3){1|H<1>,1|O<1>,2|C<4>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[3,6]O)(O[3]C[3,6])(H){1|O<1>,3|C<4>}	60.8075	0.445	4	60.8075	0.198	4	60.8075	0.198	4	60.8075	0.198	4	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:3:2:4:	4:4:2:1:	C[3,6]-4:C[3,6]-4:	C[3,6]-4:C[6]-3:O[3]-2:C-4:	C[3,6]-4:C[3,6]-4:O[3]-2:H-1:	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]2H)	C[3,6](C[3,6]C[3,6]O[3]H)(C[6]C[3,6,6]O)(O[3]C[3,6])(CCCH)	C[3,6](C[3,6]C[3,6,6]O[3]H)(C[3,6]C[6]O[3]C)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]2H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[3,6](C[3,6]C[3,6]O[3]H)(C[6]C[3,6,6]O)(O[3]C[3,6])(CCCH){1|H<1>,2|C<4>,2|O<2>}	C[3,6](C[3,6]C[3,6,6]O[3]H)(C[3,6]C[6]O[3]C)(O[3]C[3,6])(H){1|O<1>,2|C<4>}	61.4992	0.000	1	61.4992	0.000	1	61.4992	0.000	1	61.4992	0.000	1	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:3:4:2:	4:2:3:1:	C[3,6]-4:C[3,6]-4:	C[3,6]-4:C[6a]-3:C[6]-4:O[3]-2:	C[3,6]-4:O[3]-2:C[6]-3:H-1:	O[3](C[3,6]C[3,6]C[6a]C[6])(C[3,6]C[3,6]C[6]H)	C[3,6](C[3,6]C[6]O[3]H)(C[6a]C[6a]2)(C[6]C[6]HH)(O[3]C[3,6])	C[3,6](C[3,6]C[6a]C[6]O[3])(O[3]C[3,6])(C[6]C[6]H)(H)	O[3](C[3,6]C[3,6]C[6a]C[6])(C[3,6]C[3,6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6a]C[6a]2)(C[6]C[6]HH)(O[3]C[3,6]){4|C<3>,4|H<1>}	C[3,6](C[3,6]C[6a]C[6]O[3])(O[3]C[3,6])(C[6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	60.8860	0.000	1	60.8860	0.000	1	60.8860	0.000	1	60.8860	0.000	1	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:2:1:	4:2:3:1:	C[3,6]-4:C[3,6]-4:	C[3,6]-4:C[6,6]-4:O[3]-2:H-1:	C[3,6]-4:O[3]-2:C[6]-3:H-1:	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]H)	C[3,6](C[3,6]C[6]O[3]H)(C[6,6]C[6,6]2C)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6,6]O[3]H)(O[3]C[3,6])(C[6]C[6]O)(H)	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]H){1|C<3>,1|O<1>,3|C<4>}	C[3,6](C[3,6]C[6]O[3]H)(C[6,6]C[6,6]2C)(O[3]C[3,6])(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[3,6](C[3,6]C[6,6]O[3]H)(O[3]C[3,6])(C[6]C[6]O)(H){1|C<3>,4|C<4>}	61.7055	0.000	1	61.0157	0.357	3	61.0157	0.357	3	60.8468	0.266	10	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:2:1:	4:2:3:1:	C[3,6]-4:C[3,6]-4:	C[3,6]-4:C[6,6]-4:O[3]-2:H-1:	C[3,6]-4:O[3]-2:C[6]-3:H-1:	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]H)	C[3,6](C[3,6]C[6]O[3]H)(C[6,6]C[6,6]2C)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6,6]O[3]H)(O[3]C[3,6])(C[6]C[6]O)(H)	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]H){1|O<1>,2|C<3>,2|C<4>}	C[3,6](C[3,6]C[6]O[3]H)(C[6,6]C[6,6]2C)(O[3]C[3,6])(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[3,6](C[3,6]C[6,6]O[3]H)(O[3]C[3,6])(C[6]C[6]O)(H){1|C<3>,1|H<1>,2|C<4>}	60.6708	0.000	2	61.0157	0.357	3	61.0157	0.357	3	60.8468	0.266	10	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:2:1:	4:2:3:1:	C[3,6]-4:C[3,6]-4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:O[3]-2:C[6]-3:H-1:	O[3](C[3,6]C[3,6]C[6]H)2	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]CC)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(O[3]C[3,6])(C[6]C[6]O)(H)	O[3](C[3,6]C[3,6]C[6]H)2{1|C<3>,1|O<1>,3|C<4>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]CC)(O[3]C[3,6])(H){1|C<4>,1|H<1>,1|O<1>}	C[3,6](C[3,6]C[6]O[3]H)(O[3]C[3,6])(C[6]C[6]O)(H){1|C<3>,4|C<4>}	61.0932	0.817	2	61.0932	0.668	2	60.9896	0.263	4	60.8468	0.266	10	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:2:1:	4:2:3:1:	C[3,6]-4:C[3,6]-4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:O[3]-2:C[6]-3:H-1:	O[3](C[3,6]C[3,6]C[6]H)2	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(O[3]C[3,6])(C[6]N[6]O)(H)	O[3](C[3,6]C[3,6]C[6]H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H){1|N<3>,1|O<1>,2|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(O[3]C[3,6])(C[6]N[6]O)(H){1|H<1>,1|O<2>,2|C<4>}	60.8861	0.281	2	60.8861	0.079	2	60.9896	0.263	4	60.8468	0.266	10	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:2:1:	4:2:3:1:	C[3,6]-4:C[3,6]-4:	C[5,6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:O[3]-2:C[6]-3:H-1:	O[3](C[3,6]C[5,6,6]C[3,6]H)(C[3,6]C[3,6]C[6]H)	C[3,6](C[5,6,6]C[5,6,6]C[3,6]O[5])(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[5,6,6]O[3]H)(O[3]C[3,6])(C[6]C[6]H)(H)	O[3](C[3,6]C[5,6,6]C[3,6]H)(C[3,6]C[3,6]C[6]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[3,6](C[5,6,6]C[5,6,6]C[3,6]O[5])(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[3,6](C[3,6]C[5,6,6]O[3]H)(O[3]C[3,6])(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<4>}	60.2545	0.102	2	60.2545	0.010	2	60.2545	0.010	2	60.8468	0.266	10	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:2:1:	4:2:3:1:	C[3,6]-4:C[3,6]-4:	C[5,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:O[3]-2:C[6]-3:H-1:	O[3](C[3,6]C[3,6]C[5,6]H)(C[3,6]C[3,6]C[6]H)	C[3,6](C[5,6]C[5,6]O[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[5,6]O[3]H)(O[3]C[3,6])(C[6]N[6]O)(H)	O[3](C[3,6]C[3,6]C[5,6]H)(C[3,6]C[3,6]C[6]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C[3,6](C[5,6]C[5,6]O[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[3,6](C[3,6]C[5,6]O[3]H)(O[3]C[3,6])(C[6]N[6]O)(H){1|H<1>,1|O<2>,2|C<4>}	60.9532	0.000	1	60.9532	0.000	1	60.9532	0.000	1	60.8468	0.266	10	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:2:1:	4:2:3:4:	C[3,6]-4:C[3,6]-4:	C[3,6]-4:C[6,6]-4:O[3]-2:H-1:	C[3,6]-4:O[3]-2:C[6]-3:C-4:	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]C)	C[3,6](C[3,6]C[6]O[3]C)(C[6,6]C[6]O[6]2)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6,6]O[3]H)(O[3]C[3,6])(C[6]C[6]O)(CHHO)	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]C){1|O<1>,2|C<3>,2|O<2>}	C[3,6](C[3,6]C[6]O[3]C)(C[6,6]C[6]O[6]2)(O[3]C[3,6])(H){1|Br<1>,1|C<3>,1|O<1>,2|C<4>}	C[3,6](C[3,6]C[6,6]O[3]H)(O[3]C[3,6])(C[6]C[6]O)(CHHO){1|C<3>,1|C<4>,2|O<2>}	59.9962	0.000	2	60.2323	0.074	4	60.2323	0.074	4	60.6049	0.523	8	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:2:1:	4:2:3:4:	C[3,6]-4:C[3,6]-4:	C[3,6]-4:C[6,6]-4:O[3]-2:H-1:	C[3,6]-4:O[3]-2:C[6]-3:C-4:	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]C)	C[3,6](C[3,6]C[6]O[3]C)(C[6,6]C[6]O[6]2)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6,6]O[3]H)(O[3]C[3,6])(C[6]C[6]O)(CHHO)	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]C){1|O<1>,2|C<3>,2|O<2>}	C[3,6](C[3,6]C[6]O[3]C)(C[6,6]C[6]O[6]2)(O[3]C[3,6])(H){1|Br<1>,1|C<3>,1|O<1>,2|C<4>}	C[3,6](C[3,6]C[6,6]O[3]H)(O[3]C[3,6])(C[6]C[6]O)(CHHO){2|C<3>,2|O<2>}	60.4685	0.000	2	60.2323	0.074	4	60.2323	0.074	4	60.6049	0.523	8	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:2:1:	4:2:3:4:	C[3,6]-4:C[3,6]-4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:O[3]-2:C[6]-3:C-4:	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(O[3]C[3,6])(C[6]C[6]O)(CH3)	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H){1|O<1>,2|C<4>,2|H<1>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H){1|H<1>,1|O<1>,2|C<4>}	C[3,6](C[3,6]C[6]O[3]H)(O[3]C[3,6])(C[6]C[6]O)(CH3){1|C<4>,4|H<1>}	60.2164	0.040	2	60.2164	0.002	2	60.7040	0.714	3	60.6049	0.523	8	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:2:1:	4:2:3:4:	C[3,6]-4:C[3,6]-4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:O[3]-2:C[6]-3:C-4:	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(O[3]C[3,6])(C[6]N[6]O)(CHHO)	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H){1|N<3>,1|O<1>,2|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(O[3]C[3,6])(C[6]N[6]O)(CHHO){2|C<4>,2|H<1>}	61.6793	0.000	1	61.6793	0.000	1	60.7040	0.714	3	60.6049	0.523	8	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:2:1:	4:2:3:4:	C[3,6]-4:C[3,6]-4:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:O[3]-2:C[6]-3:C-4:	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]C)	C[3,6](C[6,6]C[6,6]O[6]O)(C[3,6]C[6]O[3]C)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6,6]O[3]H)(O[3]C[3,6])(C[6]C[6]O)(CCHO)	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]C){1|O<1>,2|C<3>,2|O<2>}	C[3,6](C[6,6]C[6,6]O[6]O)(C[3,6]C[6]O[3]C)(O[3]C[3,6])(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C[3,6](C[3,6]C[6,6]O[3]H)(O[3]C[3,6])(C[6]C[6]O)(CCHO){1|C<3>,1|C<4>,2|O<2>}	61.7978	0.000	1	61.7978	0.000	1	61.7978	0.000	1	60.6049	0.523	8	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:2:1:	4:3:2:1:	C[3,6]-4:C[3,6]-4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-3:O[3]-2:H-1:	O[3](C[3,6]C[3,6]C[6]H)2	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[5,5,6]CH)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[5,6]O)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]H)2{1|H<1>,1|O<1>,3|C<4>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[5,5,6]CH)(O[3]C[3,6])(H){1|O<1>,3|C<4>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[5,6]O)(O[3]C[3,6])(H){1|H<1>,4|C<4>}	61.3897	0.013	2	61.3897	0.000	2	60.9256	0.171	7	61.2089	0.479	16	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:2:1:	4:3:2:1:	C[3,6]-4:C[3,6]-4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-3:O[3]-2:H-1:	O[3](C[3,6]C[3,6]C[6]H)2	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]HO)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]O)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]HO)(O[3]C[3,6])(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]O)(O[3]C[3,6])(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	60.7617	0.370	4	60.7400	0.105	5	60.9256	0.171	7	61.2089	0.479	16	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:2:1:	4:3:2:1:	C[3,6]-4:C[3,6]-4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-3:O[3]-2:H-1:	O[3](C[3,6]C[3,6]C[6]H)2	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]HO)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]O)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]HO)(O[3]C[3,6])(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]O)(O[3]C[3,6])(H){1|O<2>,2|C<4>,2|H<1>}	60.6532	0.000	1	60.7400	0.105	5	60.9256	0.171	7	61.2089	0.479	16	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:2:1:	4:3:2:1:	C[3,6]-4:C[3,6]-4:	C[5,5,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-3:O[3]-2:H-1:	O[3](C[3,6]C[5,5,6]C[3,6]H)(C[3,6]C[3,6]C[6]H)	C[3,6](C[5,5,6]C[4,5,5,6]C[5]N[5])(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[5,5,6]O[3]H)(C[6]C[4,6]O)(O[3]C[3,6])(H)	O[3](C[3,6]C[5,5,6]C[3,6]H)(C[3,6]C[3,6]C[6]H){1|N<3>,1|O<1>,3|C<4>}	C[3,6](C[5,5,6]C[4,5,5,6]C[5]N[5])(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|O<1>,2|H<1>,6|C<4>}	C[3,6](C[3,6]C[5,5,6]O[3]H)(C[6]C[4,6]O)(O[3]C[3,6])(H){1|H<1>,1|N<3>,3|C<4>}	61.7639	0.000	1	61.7639	0.000	1	61.7639	0.000	1	61.2089	0.479	16	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:2:1:	4:3:2:1:	C[3,6]-4:C[3,6]-4:	C[5,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-3:O[3]-2:H-1:	O[3](C[3,6]C[3,6]C[5,6]H)(C[3,6]C[3,6]C[6]H)	C[3,6](C[5,6]C[3,6]C[5]O[5])(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[5,6]O[3]H)(C[6]C[3,6]O)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[5,6]H)(C[3,6]C[3,6]C[6]H){1|O<1>,1|O<2>,3|C<4>}	C[3,6](C[5,6]C[3,6]C[5]O[5])(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[3,6](C[3,6]C[5,6]O[3]H)(C[6]C[3,6]O)(O[3]C[3,6])(H){1|H<1>,2|C<4>,2|O<2>}	62.1064	0.148	2	62.1064	0.022	2	61.3215	0.550	5	61.2089	0.479	16	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:2:1:	4:3:2:1:	C[3,6]-4:C[3,6]-4:	C[5,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-3:O[3]-2:H-1:	O[3](C[3,6]C[3,6]C[5,6]H)(C[3,6]C[3,6]C[6]H)	C[3,6](C[5,6]C[5,6,6]O[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[5,6]O[3]H)(C[6]C[5,6,6]O)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[5,6]H)(C[3,6]C[3,6]C[6]H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[3,6](C[5,6]C[5,6,6]O[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|H<1>,1|O<1>,3|C<4>}	C[3,6](C[3,6]C[5,6]O[3]H)(C[6]C[5,6,6]O)(O[3]C[3,6])(H){1|H<1>,1|O<2>,3|C<4>}	60.7982	0.249	3	60.7982	0.062	3	61.3215	0.550	5	61.2089	0.479	16	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:2:1:	4:3:2:1:	C[3,6]-4:C[3,6]-4:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6,6]-3:O[3]-2:H-1:	O[3](C[3,6]C[3,6]C[6,6]H)2	C[3,6](C[6,6]C[5,6]C[6,6]H)(C[3,6]C[6,6]O[3]H)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6,6]O[3]H)(C[6,6]C[6,6]C[6])(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6,6]H)2{1|C<3>,1|H<1>,3|C<4>}	C[3,6](C[6,6]C[5,6]C[6,6]H)(C[3,6]C[6,6]O[3]H)(O[3]C[3,6])(H){1|C<3>,2|H<1>,4|C<4>}	C[3,6](C[3,6]C[6,6]O[3]H)(C[6,6]C[6,6]C[6])(O[3]C[3,6])(H){1|C<3>,2|H<1>,4|C<4>}	60.1366	0.000	1	60.1366	0.000	1	60.1366	0.000	1	61.2089	0.479	16	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:2:1:	4:3:2:1:	C[3,6]-4:C[3,6]-4:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-3:O[3]-2:H-1:	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]H)	C[3,6](C[6,6]C[5a,6,6]C[6,6a]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[5a,6]O)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]H){1|C<4>,1|O<1>,3|C<3>}	C[3,6](C[6,6]C[5a,6,6]C[6,6a]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|O<1>,4|C<3>}	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[5a,6]O)(O[3]C[3,6])(H){1|C<4>,3|C<3>}	62.1709	0.000	1	62.1709	0.000	1	62.1778	0.000	2	61.2089	0.479	16	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:2:1:	4:3:2:1:	C[3,6]-4:C[3,6]-4:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-3:O[3]-2:H-1:	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]H)	C[3,6](C[6,6]C[6,6]C[6]O)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[6,6]O)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]H){1|O<1>,1|O<2>,3|C<4>}	C[3,6](C[6,6]C[6,6]C[6]O)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[6,6]O)(O[3]C[3,6])(H){1|Br<1>,1|O<2>,3|C<4>}	62.1847	0.000	1	62.1847	0.000	1	62.1778	0.000	2	61.2089	0.479	16	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:2:1:	4:3:2:4:	C[3,6]-4:C[3,6]-4:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-3:O[3]-2:C-4:	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]C)	C[3,6](C[6,6]C[3,6,6]C[6]O)(C[3,6]C[6]O[3]C)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[3,6]O)(O[3]C[3,6])(CHHO)	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]C){1|O<1>,1|O<2>,3|C<4>}	C[3,6](C[6,6]C[3,6,6]C[6]O)(C[3,6]C[6]O[3]C)(O[3]C[3,6])(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[3,6]O)(O[3]C[3,6])(CHHO){1|H<1>,2|C<4>,2|O<2>}	60.9615	0.000	1	60.9615	0.000	1	60.9615	0.000	1	60.9615	0.000	1	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:2:1:	4:4:2:1:	C[3,6]-4:C[3,6]-4:	C[3,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:O[3]-2:H-1:	O[3](C[3,6]C[3,6]2H)2	C[3,6](C[3,6]C[3,6]C[3]H)(C[3,6]C[3,6]O[3]H)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[3,6]O[3]H)2(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]2H)2{1|O<2>,2|H<1>,3|C<4>}	C[3,6](C[3,6]C[3,6]C[3]H)(C[3,6]C[3,6]O[3]H)(O[3]C[3,6])(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[3,6](C[3,6]C[3,6]O[3]H)2(O[3]C[3,6])(H){1|C<3>,1|H<1>,2|C<4>}	60.9411	0.000	1	60.9411	0.000	1	60.9411	0.000	1	60.8434	0.166	92	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:2:1:	4:4:2:1:	C[3,6]-4:C[3,6]-4:	C[3,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	O[3](C[3,6]C[3,6]C[6]H)(C[3,6]C[3,6]2H)	C[3,6](C[3,6]C[3,6]O[3]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]H)(C[3,6]C[3,6]2H){2|C<4>,2|H<1>,2|O<2>}	C[3,6](C[3,6]C[3,6]O[3]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|C<4>,1|O<2>,2|H<1>}	C[3,6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H){1|C<4>,2|H<1>,2|O<2>}	60.7404	0.220	4	60.7106	0.032	6	60.7106	0.032	6	60.8434	0.166	92	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:2:1:	4:4:2:1:	C[3,6]-4:C[3,6]-4:	C[3,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	O[3](C[3,6]C[3,6]C[6]H)(C[3,6]C[3,6]2H)	C[3,6](C[3,6]C[3,6]O[3]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]H)(C[3,6]C[3,6]2H){2|C<4>,2|H<1>,2|O<2>}	C[3,6](C[3,6]C[3,6]O[3]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|H<1>,1|O<2>,2|C<4>}	C[3,6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H){1|C<4>,2|H<1>,2|O<2>}	60.6511	0.065	2	60.7106	0.032	6	60.7106	0.032	6	60.8434	0.166	92	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:2:1:	4:4:2:1:	C[3,6]-4:C[3,6]-4:	C[3,6]-4:C[5,6]-4:O[3]-2:H-1:	C[3,6]-4:C[4,6]-4:O[3]-2:H-1:	O[3](C[3,6]C[3,6]C[4,6]H)(C[3,6]C[3,6]C[5,6]H)	C[3,6](C[3,6]C[4,6]O[3]H)(C[5,6]C[5,6]C[5]H)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[5,6]O[3]H)(C[4,6]C[4,6]C[4]H)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[4,6]H)(C[3,6]C[3,6]C[5,6]H){1|C<3>,2|H<1>,3|C<4>}	C[3,6](C[3,6]C[4,6]O[3]H)(C[5,6]C[5,6]C[5]H)(O[3]C[3,6])(H){1|C<3>,3|C<4>,4|H<1>}	C[3,6](C[3,6]C[5,6]O[3]H)(C[4,6]C[4,6]C[4]H)(O[3]C[3,6])(H){1|H<1>,1|O<1>,4|C<4>}	60.9080	0.000	1	60.9080	0.000	1	60.9080	0.000	1	60.8434	0.166	92	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:2:1:	4:4:2:1:	C[3,6]-4:C[3,6]-4:	C[3,6]-4:C[5,6]-4:O[3]-2:H-1:	C[3,6]-4:C[5,6]-4:O[3]-2:H-1:	O[3](C[3,6]C[3,6]C[5,6]H)2	C[3,6](C[3,6]C[5,6]O[3]H)(C[5,6]C[5,6]O[5]H)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[5,6]O[3]H)(C[5,6]C[5,6]O[5]H)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[5,6]H)2{2|C<4>,2|H<1>,2|O<2>}	C[3,6](C[3,6]C[5,6]O[3]H)(C[5,6]C[5,6]O[5]H)(O[3]C[3,6])(H){2|C<4>,2|H<1>,2|O<2>}	C[3,6](C[3,6]C[5,6]O[3]H)(C[5,6]C[5,6]O[5]H)(O[3]C[3,6])(H){2|C<4>,2|H<1>,2|O<2>}	60.7143	0.000	1	60.7143	0.000	1	60.7143	0.000	1	60.8434	0.166	92	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:2:1:	4:4:2:1:	C[3,6]-4:C[3,6]-4:	C[3,6]-4:C[5,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6,6]-4:O[3]-2:H-1:	O[3](C[3,6]C[3,6]C[5,6]H)(C[3,6]C[3,6]C[6,6]H)	C[3,6](C[3,6]C[6,6]O[3]H)(C[5,6]C[5,6]C[5]C)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[5,6]O[3]H)(C[6,6]C[6,6]C[6]H)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[5,6]H)(C[3,6]C[3,6]C[6,6]H){1|H<1>,5|C<4>}	C[3,6](C[3,6]C[6,6]O[3]H)(C[5,6]C[5,6]C[5]C)(O[3]C[3,6])(H){2|C<3>,2|C<4>,4|H<1>}	C[3,6](C[3,6]C[5,6]O[3]H)(C[6,6]C[6,6]C[6]H)(O[3]C[3,6])(H){2|H<1>,6|C<4>}	60.5565	0.000	1	60.5565	0.000	1	60.5565	0.000	1	60.8434	0.166	92	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:2:1:	4:4:2:1:	C[3,6]-4:C[3,6]-4:	C[3,6]-4:C[6,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]H)	C[3,6](C[3,6]C[6]O[3]H)(C[6,6]C[6,6]2C)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[6]HN)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]H){1|H<1>,1|N<3>,4|C<4>}	C[3,6](C[3,6]C[6]O[3]H)(C[6,6]C[6,6]2C)(O[3]C[3,6])(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[6]HN)(O[3]C[3,6])(H){2|H<1>,3|C<4>}	60.0823	0.000	1	60.0823	0.000	1	60.4164	0.223	2	60.8434	0.166	92	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:2:1:	4:4:2:1:	C[3,6]-4:C[3,6]-4:	C[3,6]-4:C[6,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]H)	C[3,6](C[3,6]C[6]O[3]H)(C[6,6]C[6,6]2C)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]H){1|H<1>,1|O<2>,4|C<4>}	C[3,6](C[3,6]C[6]O[3]H)(C[6,6]C[6,6]2C)(O[3]C[3,6])(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H){2|H<1>,3|C<4>}	60.7505	0.000	1	60.7505	0.000	1	60.4164	0.223	2	60.8434	0.166	92	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:2:1:	4:4:2:1:	C[3,6]-4:C[3,6]-4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	O[3](C[3,6]C[3,6]C[6]H)2	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6,6]HH)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6,6]HH)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]H)2{2|C<4>,4|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6,6]HH)(O[3]C[3,6])(H){1|N<3>,2|C<4>,2|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6,6]HH)(O[3]C[3,6])(H){1|N<3>,2|C<4>,2|H<1>}	60.8048	0.000	1	60.8048	0.000	1	60.7461	0.198	28	60.8434	0.166	92	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:2:1:	4:4:2:1:	C[3,6]-4:C[3,6]-4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	O[3](C[3,6]C[3,6]C[6]H)2	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6]HH)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6]HH)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]H)2{2|C<4>,4|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6]HH)(O[3]C[3,6])(H){1|C<4>,1|N<3>,3|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6]HH)(O[3]C[3,6])(H){1|C<4>,1|N<3>,3|H<1>}	60.5675	0.000	1	60.8537	0.382	3	60.7461	0.198	28	60.8434	0.166	92	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:2:1:	4:4:2:1:	C[3,6]-4:C[3,6]-4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	O[3](C[3,6]C[3,6]C[6]H)2	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6]HH)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6]HH)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]H)2{2|C<4>,4|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6]HH)(O[3]C[3,6])(H){1|C<4>,1|N<3>,3|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6]HH)(O[3]C[3,6])(H){1|N<3>,2|C<4>,2|H<1>}	60.9968	0.801	2	60.8537	0.382	3	60.7461	0.198	28	60.8434	0.166	92	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:2:1:	4:4:2:1:	C[3,6]-4:C[3,6]-4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	O[3](C[3,6]C[3,6]C[6]H)2	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[5,6]CH)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[5,6]CH)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]H)2{2|H<1>,4|C<4>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[5,6]CH)(O[3]C[3,6])(H){1|C<3>,2|C<4>,2|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[5,6]CH)(O[3]C[3,6])(H){1|C<3>,2|C<4>,2|H<1>}	60.0680	0.000	1	60.0680	0.000	1	60.7461	0.198	28	60.8434	0.166	92	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:2:1:	4:4:2:1:	C[3,6]-4:C[3,6]-4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	O[3](C[3,6]C[3,6]C[6]H)2	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]HH)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]HH)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]H)2{2|C<4>,4|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]HH)(O[3]C[3,6])(H){2|C<4>,3|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]HH)(O[3]C[3,6])(H){2|C<4>,3|H<1>}	60.6886	0.496	3	60.6886	0.246	3	60.7461	0.198	28	60.8434	0.166	92	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:2:1:	4:4:2:1:	C[3,6]-4:C[3,6]-4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	O[3](C[3,6]C[3,6]C[6]H)2	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6a]HH)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6a]HH)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]H)2{2|C<3>,4|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6a]HH)(O[3]C[3,6])(H){2|C<3>,2|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6a]HH)(O[3]C[3,6])(H){2|C<3>,2|H<1>}	60.3019	0.279	3	60.3019	0.078	3	60.7461	0.198	28	60.8434	0.166	92	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:2:1:	4:4:2:1:	C[3,6]-4:C[3,6]-4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	O[3](C[3,6]C[3,6]C[6]H)2	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]CC)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]O[6]CO)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]H)2{2|O<2>,4|C<4>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]CC)(O[3]C[3,6])(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]O[6]CO)(O[3]C[3,6])(H){3|C<4>}	60.7733	0.000	1	60.7733	0.000	1	60.7461	0.198	28	60.8434	0.166	92	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:2:1:	4:4:2:1:	C[3,6]-4:C[3,6]-4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	O[3](C[3,6]C[3,6]C[6]H)2	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]CH)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]H)2{3|C<4>,3|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]CH)(O[3]C[3,6])(H){2|H<1>,3|C<4>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(H){2|C<4>,3|H<1>}	61.0848	0.000	1	61.0848	0.000	1	60.7461	0.198	28	60.8434	0.166	92	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:2:1:	4:4:2:1:	C[3,6]-4:C[3,6]-4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	O[3](C[3,6]C[3,6]C[6]H)2	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HN)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]H)2{1|N<3>,2|C<4>,3|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(H){1|C<4>,1|N<3>,3|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HN)(O[3]C[3,6])(H){1|C<4>,1|O<2>,3|H<1>}	60.7420	0.148	3	60.7420	0.022	3	60.7461	0.198	28	60.8434	0.166	92	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:2:1:	4:4:2:1:	C[3,6]-4:C[3,6]-4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	O[3](C[3,6]C[3,6]C[6]H)2	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]H)2{1|O<2>,2|C<3>,3|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(H){1|C<3>,1|O<2>,2|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H){1|C<3>,3|H<1>}	60.4838	0.000	1	60.4838	0.000	1	60.7461	0.198	28	60.8434	0.166	92	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:2:1:	4:4:2:1:	C[3,6]-4:C[3,6]-4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	O[3](C[3,6]C[3,6]C[6]H)2	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HS)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]H)2{1|S<4>,2|C<4>,3|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(H){1|C<4>,1|S<4>,3|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HS)(O[3]C[3,6])(H){1|C<3>,2|C<4>,2|H<1>}	61.7777	0.000	1	61.7777	0.000	1	60.7461	0.198	28	60.8434	0.166	92	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:2:1:	4:4:2:1:	C[3,6]-4:C[3,6]-4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	O[3](C[3,6]C[3,6]C[6]H)2	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]N[6]HH)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]H)2{1|C<3>,1|N<3>,4|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(H){1|N<3>,1|O<1>,2|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]N[6]HH)(O[3]C[3,6])(H){1|C<3>,1|C<4>,2|H<1>}	60.1584	0.000	1	60.1584	0.000	1	60.7461	0.198	28	60.8434	0.166	92	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:2:1:	4:4:2:1:	C[3,6]-4:C[3,6]-4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	O[3](C[3,6]C[3,6]C[6]H)2	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HN)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]H)2{1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HN)(O[3]C[3,6])(H){1|C<4>,1|O<2>,3|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H){1|C<4>,1|N<3>,3|H<1>}	61.1899	0.169	2	61.1899	0.029	2	60.7461	0.198	28	60.8434	0.166	92	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:2:1:	4:4:2:1:	C[3,6]-4:C[3,6]-4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	O[3](C[3,6]C[3,6]C[6]H)2	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HN)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]H)2{1|N<2>,1|O<2>,2|C<4>,2|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H){1|Br<1>,1|C<4>,1|N<2>,2|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HN)(O[3]C[3,6])(H){1|C<4>,2|H<1>,2|O<2>}	61.1620	0.179	2	61.1620	0.032	2	60.7461	0.198	28	60.8434	0.166	92	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:2:1:	4:4:2:1:	C[3,6]-4:C[3,6]-4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	O[3](C[3,6]C[3,6]C[6]H)2	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]H)2{2|C<3>,2|H<1>,2|O<2>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H){1|Br<1>,1|C<3>,1|H<1>,1|O<2>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H){1|C<3>,1|O<2>,2|H<1>}	60.6309	0.000	1	60.8437	0.037	3	60.7461	0.198	28	60.8434	0.166	92	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:2:1:	4:4:2:1:	C[3,6]-4:C[3,6]-4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	O[3](C[3,6]C[3,6]C[6]H)2	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]H)2{2|C<3>,2|H<1>,2|O<2>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H){1|Cl<1>,1|C<3>,1|H<1>,1|O<2>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H){1|C<3>,1|O<2>,2|H<1>}	61.0041	0.000	1	60.8437	0.037	3	60.7461	0.198	28	60.8434	0.166	92	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:2:1:	4:4:2:1:	C[3,6]-4:C[3,6]-4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	O[3](C[3,6]C[3,6]C[6]H)2	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]H)2{2|C<4>,2|H<1>,2|O<2>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H){1|C<4>,1|O<2>,3|H<1>}	60.8961	0.000	1	60.8437	0.037	3	60.7461	0.198	28	60.8434	0.166	92	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:2:1:	4:4:2:1:	C[3,6]-4:C[3,6]-4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	O[3](C[3,6]C[3,6]C[6]H)2	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]N[6]HH)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]H)2{1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H){1|C<4>,1|N<3>,3|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]N[6]HH)(O[3]C[3,6])(H){1|H<1>,1|O<2>,2|C<4>}	60.3730	0.065	2	60.3730	0.004	2	60.7461	0.198	28	60.8434	0.166	92	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:2:1:	4:4:2:1:	C[3,6]-4:C[3,6]-4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[5,6]-4:C[3,6]-4:O[3]-2:H-1:	O[3](C[3,6]C[3,6]C[5,6]H)(C[3,6]C[3,6]C[6]H)	C[3,6](C[3,6]C[5,6]O[3]H)(C[6]C[6a]C[6]H)(O[3]C[3,6])(H)	C[3,6](C[5,6]C[5,6]O[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[5,6]H)(C[3,6]C[3,6]C[6]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[3,6](C[3,6]C[5,6]O[3]H)(C[6]C[6a]C[6]H)(O[3]C[3,6])(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[3,6](C[5,6]C[5,6]O[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	61.3882	0.000	1	61.3882	0.000	1	61.3882	0.000	1	60.8434	0.166	92	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:2:1:	4:4:2:1:	C[3,6]-4:C[3,6]-4:	C[5,5,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	O[3](C[3,6]C[5,5,6]C[3,6]H)(C[3,6]C[3,6]C[6]H)	C[3,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[5,5,6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(H)	O[3](C[3,6]C[5,5,6]C[3,6]H)(C[3,6]C[3,6]C[6]H){1|C<3>,2|H<1>,3|C<4>}	C[3,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){2|C<3>,2|C<4>,2|N<3>,4|H<1>}	C[3,6](C[3,6]C[5,5,6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(H){1|C<3>,2|C<4>,2|H<1>}	60.6943	0.000	1	60.6943	0.000	1	60.6943	0.000	1	60.8434	0.166	92	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:2:1:	4:4:2:1:	C[3,6]-4:C[3,6]-4:	C[5,6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[5,6]-4:O[3]-2:H-1:	O[3](C[3,6]C[5,6,6]C[3,6]H)(C[3,6]C[3,6]C[5,6]H)	C[3,6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[3,6]C[5,6]O[3]H)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[5,6,6]O[3]H)(C[5,6]C[5,6]C[5]H)(O[3]C[3,6])(H)	O[3](C[3,6]C[5,6,6]C[3,6]H)(C[3,6]C[3,6]C[5,6]H){1|H<1>,5|C<4>}	C[3,6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[3,6]C[5,6]O[3]H)(O[3]C[3,6])(H){3|O<2>,4|C<4>,4|H<1>}	C[3,6](C[3,6]C[5,6,6]O[3]H)(C[5,6]C[5,6]C[5]H)(O[3]C[3,6])(H){1|H<1>,2|O<2>,5|C<4>}	61.4009	0.000	1	61.4009	0.000	1	61.4009	0.000	1	60.8434	0.166	92	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:2:1:	4:4:2:1:	C[3,6]-4:C[3,6]-4:	C[5,6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	O[3](C[3,6]C[5,6,6]C[3,6]H)(C[3,6]C[3,6]C[6]H)	C[3,6](C[5,6,6]C[5,4x6]C[5,6]C[6])(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[5,6,6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(H)	O[3](C[3,6]C[5,6,6]C[3,6]H)(C[3,6]C[3,6]C[6]H){2|H<1>,4|C<4>}	C[3,6](C[5,6,6]C[5,4x6]C[5,6]C[6])(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){2|O<2>,4|C<4>,5|H<1>}	C[3,6](C[3,6]C[5,6,6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(H){5|C<4>}	61.0357	0.198	3	61.0357	0.039	3	61.0357	0.039	3	60.8434	0.166	92	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:2:1:	4:4:2:1:	C[3,6]-4:C[3,6]-4:	C[5,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	O[3](C[3,6]C[3,6]C[5,6]H)(C[3,6]C[3,6]C[6]H)	C[3,6](C[5,6]C[3,5,6]C[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[5,6]O[3]H)(C[6]C[3,6]CH)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[5,6]H)(C[3,6]C[3,6]C[6]H){2|H<1>,4|C<4>}	C[3,6](C[5,6]C[3,5,6]C[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|H<1>,1|O<2>,6|C<4>}	C[3,6](C[3,6]C[5,6]O[3]H)(C[6]C[3,6]CH)(O[3]C[3,6])(H){1|H<1>,1|O<2>,3|C<4>}	59.9469	0.000	1	59.9469	0.000	1	60.8647	0.221	25	60.8434	0.166	92	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:2:1:	4:4:2:1:	C[3,6]-4:C[3,6]-4:	C[5,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	O[3](C[3,6]C[3,6]C[5,6]H)(C[3,6]C[3,6]C[6]H)	C[3,6](C[5,6]C[5,6]C[5]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[5,6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[5,6]H)(C[3,6]C[3,6]C[6]H){2|H<1>,4|C<4>}	C[3,6](C[5,6]C[5,6]C[5]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|O<2>,2|C<4>,5|H<1>}	C[3,6](C[3,6]C[5,6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(H){1|H<1>,1|O<2>,3|C<4>}	60.5970	0.000	1	60.5970	0.000	1	60.8647	0.221	25	60.8434	0.166	92	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:2:1:	4:4:2:1:	C[3,6]-4:C[3,6]-4:	C[5,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	O[3](C[3,6]C[3,6]C[5,6]H)(C[3,6]C[3,6]C[6]H)	C[3,6](C[5,6]C[5,6]C[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[5,6]O[3]H)(C[6]C[6]CH)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[5,6]H)(C[3,6]C[3,6]C[6]H){2|H<1>,4|C<4>}	C[3,6](C[5,6]C[5,6]C[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[3,6](C[3,6]C[5,6]O[3]H)(C[6]C[6]CH)(O[3]C[3,6])(H){1|C<3>,2|C<4>,2|H<1>}	60.2087	0.000	1	60.2087	0.000	1	60.8647	0.221	25	60.8434	0.166	92	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:2:1:	4:4:2:1:	C[3,6]-4:C[3,6]-4:	C[5,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	O[3](C[3,6]C[3,6]C[5,6]H)(C[3,6]C[3,6]C[6]H)	C[3,6](C[5,6]C[5,6]O[5]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[5,6]O[3]H)(C[6]C[6]CH)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[5,6]H)(C[3,6]C[3,6]C[6]H){1|H<1>,1|O<2>,4|C<4>}	C[3,6](C[5,6]C[5,6]O[5]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){2|C<3>,2|C<4>,2|H<1>}	C[3,6](C[3,6]C[5,6]O[3]H)(C[6]C[6]CH)(O[3]C[3,6])(H){1|O<2>,2|C<4>,2|H<1>}	61.2782	0.192	4	61.2782	0.037	4	60.8647	0.221	25	60.8434	0.166	92	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:2:1:	4:4:2:1:	C[3,6]-4:C[3,6]-4:	C[5,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	O[3](C[3,6]C[3,6]C[5,6]H)(C[3,6]C[3,6]C[6]H)	C[3,6](C[5,6]N[5,6]C[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[5,6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[5,6]H)(C[3,6]C[3,6]C[6]H){1|N<3>,2|C<4>,3|H<1>}	C[3,6](C[5,6]N[5,6]C[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[3,6](C[3,6]C[5,6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	60.4810	0.000	1	60.4810	0.000	1	60.8647	0.221	25	60.8434	0.166	92	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:2:1:	4:4:2:1:	C[3,6]-4:C[3,6]-4:	C[5,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	O[3](C[3,6]C[3,6]C[5,6]H)(C[3,6]C[3,6]C[6]H)	C[3,6](C[5,6]O[5,6]C[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[5,6]O[3]H)(C[6]C[5,6]HN)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[5,6]H)(C[3,6]C[3,6]C[6]H){1|N<2>,1|O<2>,2|C<4>,2|H<1>}	C[3,6](C[5,6]O[5,6]C[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|C<4>,1|N<2>,1|O<2>,3|H<1>}	C[3,6](C[3,6]C[5,6]O[3]H)(C[6]C[5,6]HN)(O[3]C[3,6])(H){1|C<4>,2|H<1>,2|O<2>}	60.9456	0.000	1	60.9456	0.000	1	60.8647	0.221	25	60.8434	0.166	92	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:2:1:	4:4:2:1:	C[3,6]-4:C[3,6]-4:	C[5,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	O[3](C[3,6]C[3,6]C[5,6]H)(C[3,6]C[3,6]C[6]H)	C[3,6](C[5,6]O[5,6]C[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[5,6]O[3]H)(C[6]C[5,6]HO)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[5,6]H)(C[3,6]C[3,6]C[6]H){2|C<4>,2|H<1>,2|O<2>}	C[3,6](C[5,6]O[5,6]C[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|C<4>,2|O<2>,3|H<1>}	C[3,6](C[3,6]C[5,6]O[3]H)(C[6]C[5,6]HO)(O[3]C[3,6])(H){1|C<4>,2|H<1>,2|O<2>}	60.7789	0.562	9	60.7789	0.315	9	60.8647	0.221	25	60.8434	0.166	92	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:2:1:	4:4:2:1:	C[3,6]-4:C[3,6]-4:	C[5,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	O[3](C[3,6]C[3,6]C[5,6]H)(C[3,6]C[3,6]C[6]H)	C[3,6](C[5,6]O[5,6]O[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[5,6]O[3]H)(C[6]C[5,6]FH)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[5,6]H)(C[3,6]C[3,6]C[6]H){1|C<4>,1|F<1>,2|H<1>,2|O<2>}	C[3,6](C[5,6]O[5,6]O[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|F<1>,1|H<1>,2|C<4>}	C[3,6](C[3,6]C[5,6]O[3]H)(C[6]C[5,6]FH)(O[3]C[3,6])(H){1|C<4>,2|H<1>,2|O<2>}	60.8795	0.237	2	60.8795	0.056	2	60.8647	0.221	25	60.8434	0.166	92	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:2:1:	4:4:2:1:	C[3,6]-4:C[3,6]-4:	C[5,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	O[3](C[3,6]C[3,6]C[5,6]H)(C[3,6]C[3,6]C[6]H)	C[3,6](C[5,6]O[5,6]O[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[5,6]O[3]H)(C[6]C[5,6]HO)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[5,6]H)(C[3,6]C[3,6]C[6]H){1|C<4>,2|H<1>,3|O<2>}	C[3,6](C[5,6]O[5,6]O[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|H<1>,1|O<2>,2|C<4>}	C[3,6](C[3,6]C[5,6]O[3]H)(C[6]C[5,6]HO)(O[3]C[3,6])(H){1|C<4>,2|H<1>,2|O<2>}	61.1114	0.122	5	61.1114	0.015	5	60.8647	0.221	25	60.8434	0.166	92	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:2:1:	4:4:2:1:	C[3,6]-4:C[3,6]-4:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6,6]-4:O[3]-2:H-1:	O[3](C[3,6]C[3,6]C[6,6]H)2	C[3,6](C[6,6]C[5,6]C[6,6]H)(C[3,6]C[6,6]O[3]H)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6,6]O[3]H)(C[6,6]C[6,6]C[6]O)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6,6]H)2{1|H<1>,1|O<2>,4|C<4>}	C[3,6](C[6,6]C[5,6]C[6,6]H)(C[3,6]C[6,6]O[3]H)(O[3]C[3,6])(H){1|O<2>,2|H<1>,5|C<4>}	C[3,6](C[3,6]C[6,6]O[3]H)(C[6,6]C[6,6]C[6]O)(O[3]C[3,6])(H){1|C<3>,3|H<1>,4|C<4>}	60.6129	0.000	1	60.6129	0.000	1	60.6129	0.000	1	60.8434	0.166	92	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:2:1:	4:4:2:1:	C[3,6]-4:C[3,6]-4:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]H)	C[3,6](C[6,6]C[3,6,6]C[6,6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[3,6]HO)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]H){1|H<1>,1|O<2>,4|C<4>}	C[3,6](C[6,6]C[3,6,6]C[6,6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[3,6]HO)(O[3]C[3,6])(H){1|H<1>,1|O<2>,3|C<4>}	61.0167	0.000	1	61.0167	0.000	1	60.9197	0.105	16	60.8434	0.166	92	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:2:1:	4:4:2:1:	C[3,6]-4:C[3,6]-4:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]H)	C[3,6](C[6,6]C[3x6]O[6]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[5,6,6]CO)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]H){1|H<1>,2|O<2>,3|C<4>}	C[3,6](C[6,6]C[3x6]O[6]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|Si<4>,1|C<3>,1|O<2>,3|C<4>}	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[5,6,6]CO)(O[3]C[3,6])(H){1|H<1>,2|C<4>,2|O<2>}	61.1648	0.000	1	61.1648	0.000	1	60.9197	0.105	16	60.8434	0.166	92	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:2:1:	4:4:2:1:	C[3,6]-4:C[3,6]-4:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]H)	C[3,6](C[6,6]C[5,6,6]C[6,6a]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[5,6]HO)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[3,6](C[6,6]C[5,6,6]C[6,6a]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[5,6]HO)(O[3]C[3,6])(H){2|C<3>,3|C<4>}	61.2990	0.000	1	61.2990	0.000	1	60.9197	0.105	16	60.8434	0.166	92	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:2:1:	4:4:2:1:	C[3,6]-4:C[3,6]-4:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]H)	C[3,6](C[6,6]C[5,6,6]C[6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]N[5,6]HH)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]H){1|N<3>,2|H<1>,3|C<4>}	C[3,6](C[6,6]C[5,6,6]C[6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]N[5,6]HH)(O[3]C[3,6])(H){4|C<4>}	60.7841	0.345	3	60.8015	0.081	4	60.9197	0.105	16	60.8434	0.166	92	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:2:1:	4:4:2:1:	C[3,6]-4:C[3,6]-4:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]H)	C[3,6](C[6,6]C[5,6,6]C[6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]N[5,6]HH)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]H){1|N<3>,2|H<1>,3|C<4>}	C[3,6](C[6,6]C[5,6,6]C[6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|N<3>,2|C<4>,5|H<1>}	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]N[5,6]HH)(O[3]C[3,6])(H){4|C<4>}	60.8536	0.000	1	60.8015	0.081	4	60.9197	0.105	16	60.8434	0.166	92	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:2:1:	4:4:2:1:	C[3,6]-4:C[3,6]-4:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]H)	C[3,6](C[6,6]C[6,6]C[6]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[6]CH)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]H){2|H<1>,4|C<4>}	C[3,6](C[6,6]C[6,6]C[6]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){2|C<3>,2|C<4>,4|H<1>}	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[6]CH)(O[3]C[3,6])(H){1|O<2>,2|C<4>,2|H<1>}	60.8495	0.000	1	60.6838	0.055	2	60.9197	0.105	16	60.8434	0.166	92	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:2:1:	4:4:2:1:	C[3,6]-4:C[3,6]-4:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]H)	C[3,6](C[6,6]C[6,6]C[6]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[6]CH)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]H){2|H<1>,4|C<4>}	C[3,6](C[6,6]C[6,6]C[6]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){4|C<4>,4|H<1>}	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[6]CH)(O[3]C[3,6])(H){2|H<1>,3|C<4>}	60.5182	0.000	1	60.6838	0.055	2	60.9197	0.105	16	60.8434	0.166	92	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:2:1:	4:4:2:1:	C[3,6]-4:C[3,6]-4:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]H)	C[3,6](C[6,6]C[6,6]C[6]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[6]CO)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]H){1|H<1>,1|O<2>,4|C<4>}	C[3,6](C[6,6]C[6,6]C[6]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|O<2>,7|C<4>}	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[6]CO)(O[3]C[3,6])(H){2|H<1>,3|C<4>}	60.7680	0.000	1	60.7680	0.000	1	60.9197	0.105	16	60.8434	0.166	92	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:2:1:	4:4:2:1:	C[3,6]-4:C[3,6]-4:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]H)	C[3,6](C[6,6]C[6,6]C[6]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]H){3|C<4>,3|H<1>}	C[3,6](C[6,6]C[6,6]C[6]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){4|C<4>,4|H<1>}	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(H){2|C<4>,3|H<1>}	60.8099	0.404	4	60.8099	0.164	4	60.9197	0.105	16	60.8434	0.166	92	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:2:1:	4:4:2:1:	C[3,6]-4:C[3,6]-4:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]H)	C[3,6](C[6,6]C[6,6]C[6]O)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]H){1|H<1>,2|O<2>,3|C<4>}	C[3,6](C[6,6]C[6,6]C[6]O)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){2|C<4>,2|O<2>,4|H<1>}	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H){1|O<2>,4|C<4>}	61.3393	0.000	1	61.3393	0.000	1	60.9197	0.105	16	60.8434	0.166	92	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:2:1:	4:4:2:1:	C[3,6]-4:C[3,6]-4:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]H)	C[3,6](C[6,6]C[6,6]O[6]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]O[6]HS)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]H){1|C<4>,1|S<3>,2|H<1>,2|O<2>}	C[3,6](C[6,6]C[6,6]O[6]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|O<2>,1|S<3>,2|C<4>,2|H<1>}	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]O[6]HS)(O[3]C[3,6])(H){1|C<4>,1|H<1>,1|O<2>}	61.3142	0.000	1	61.3142	0.000	1	60.9197	0.105	16	60.8434	0.166	92	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:2:1:	4:4:2:1:	C[3,6]-4:C[3,6]-4:	C[6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	O[3](C[3,6]C[3,6]C[6]H)2	C[3,6](C[6]C[3,6]C[6a]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6]HH)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]H)2{1|C<3>,2|C<4>,3|H<1>}	C[3,6](C[6]C[3,6]C[6a]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6]HH)(O[3]C[3,6])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	61.0890	0.027	2	61.0890	0.001	2	61.2381	0.030	4	60.8434	0.166	92	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:2:1:	4:4:2:1:	C[3,6]-4:C[3,6]-4:	C[6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	O[3](C[3,6]C[3,6]C[6]H)2	C[3,6](C[6]C[6,6a]C[6]O)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6a]HO)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]H)2{1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[3,6](C[6]C[6,6a]C[6]O)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|C<2>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6a]HO)(O[3]C[3,6])(H){1|C<4>,1|O<2>,2|C<3>}	61.3871	0.014	2	61.3871	0.000	2	61.2381	0.030	4	60.8434	0.166	92	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:2:1:	4:4:2:3:	C[3,6]-4:C[3,6]-4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-3:	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]O[6]CH)(O[3]C[3,6])(CCO)	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H){1|O<2>,2|C<4>,3|H<1>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H){1|C<4>,2|H<1>,2|O<2>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]O[6]CH)(O[3]C[3,6])(CCO){1|C<4>,2|H<1>}	61.7279	0.117	2	61.7279	0.014	2	61.7279	0.014	2	61.7279	0.014	2	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:2:1:	4:4:2:4:	C[3,6]-4:C[3,6]-4:	C[3,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]2H)	C[3,6](C[3,6]C[3,6]O[3]H)(C[3,6]C[6]O[3]C)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(CHHO)	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]2H){2|C<4>,2|H<1>,2|O<2>}	C[3,6](C[3,6]C[3,6]O[3]H)(C[3,6]C[6]O[3]C)(O[3]C[3,6])(H){1|C<4>,1|O<2>,2|H<1>}	C[3,6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(CHHO){1|C<4>,2|H<1>,2|O<2>}	60.7925	0.297	2	60.7925	0.088	2	60.7925	0.088	2	60.7636	0.254	16	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:2:1:	4:4:2:4:	C[3,6]-4:C[3,6]-4:	C[3,6]-4:C[6,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]C)	C[3,6](C[3,6]C[6]O[3]C)(C[6,6]C[6,6]2O)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(CH3)	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]C){1|O<2>,2|H<1>,3|C<4>}	C[3,6](C[3,6]C[6]O[3]C)(C[6,6]C[6,6]2O)(O[3]C[3,6])(H){1|Cl<1>,1|C<3>,3|C<4>,3|H<1>}	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(CH3){1|O<2>,2|C<4>,2|H<1>}	60.9809	0.000	1	60.9809	0.000	1	60.9809	0.000	1	60.7636	0.254	16	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:2:1:	4:4:2:4:	C[3,6]-4:C[3,6]-4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[3,6]CH)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(CH3)	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H){3|C<4>,3|H<1>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[3,6]CH)(O[3]C[3,6])(H){2|H<1>,3|C<4>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(CH3){2|C<4>,3|H<1>}	60.6904	0.260	4	60.6904	0.067	4	60.8908	0.177	11	60.7636	0.254	16	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:2:1:	4:4:2:4:	C[3,6]-4:C[3,6]-4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[5,6]CH)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[5,6]CH)(O[3]C[3,6])(CH3)	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H){2|H<1>,4|C<4>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[5,6]CH)(O[3]C[3,6])(H){1|H<1>,2|C<3>,2|C<4>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[5,6]CH)(O[3]C[3,6])(CH3){2|H<1>,3|C<4>}	60.9835	0.000	1	60.9835	0.000	1	60.8908	0.177	11	60.7636	0.254	16	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:2:1:	4:4:2:4:	C[3,6]-4:C[3,6]-4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6,6]HO)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]HO)(O[3]C[3,6])(CH3)	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H){2|C<4>,2|H<1>,2|O<2>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6,6]HO)(O[3]C[3,6])(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]HO)(O[3]C[3,6])(CH3){1|H<1>,2|C<4>,2|O<2>}	61.7441	0.000	1	61.7441	0.000	1	60.8908	0.177	11	60.7636	0.254	16	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:2:1:	4:4:2:4:	C[3,6]-4:C[3,6]-4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(CH3)	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H){2|C<4>,4|H<1>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H){1|C<3>,1|C<4>,3|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(CH3){2|C<4>,3|H<1>}	60.2393	0.000	1	60.2393	0.000	1	60.8908	0.177	11	60.7636	0.254	16	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:2:1:	4:4:2:4:	C[3,6]-4:C[3,6]-4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(CH3)	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H){1|O<2>,2|C<4>,3|H<1>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(CH3){2|C<4>,3|H<1>}	60.8900	0.067	2	61.0175	0.059	4	60.8908	0.177	11	60.7636	0.254	16	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:2:1:	4:4:2:4:	C[3,6]-4:C[3,6]-4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(CH3)	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H){1|O<2>,2|C<4>,3|H<1>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H){1|C<4>,2|H<1>,2|O<2>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(CH3){1|C<4>,4|H<1>}	60.9130	0.000	1	61.0175	0.059	4	60.8908	0.177	11	60.7636	0.254	16	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:2:1:	4:4:2:4:	C[3,6]-4:C[3,6]-4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(CH3)	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H){1|O<2>,2|C<4>,3|H<1>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H){1|O<2>,2|C<4>,2|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(CH3){1|C<4>,4|H<1>}	61.3770	0.000	1	61.0175	0.059	4	60.8908	0.177	11	60.7636	0.254	16	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:2:1:	4:4:2:4:	C[3,6]-4:C[3,6]-4:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]C)	C[3,6](C[6,6]C[3,6,6]C[6]O)(C[3,6]C[6]O[3]C)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[3,6]HO)(O[3]C[3,6])(CHHO)	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]C){1|H<1>,2|O<2>,3|C<4>}	C[3,6](C[6,6]C[3,6,6]C[6]O)(C[3,6]C[6]O[3]C)(O[3]C[3,6])(H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[3,6]HO)(O[3]C[3,6])(CHHO){1|H<1>,2|C<4>,2|O<2>}	60.3360	0.000	1	60.3360	0.000	1	60.3360	0.000	1	60.7636	0.254	16	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:2:1:	4:4:2:4:	C[3,6]-4:C[3,6]-4:	C[6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)	C[3,6](C[6]C[3x3,4]C[3,6]H)(C[3,6]C[6]O[3]C)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(CH3)	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H){1|C<7>,2|C<4>,3|H<1>}	C[3,6](C[6]C[3x3,4]C[3,6]H)(C[3,6]C[6]O[3]C)(O[3]C[3,6])(H){1|C<2>,1|C<3>,1|C<5>,1|C<6>,1|O<2>,2|H<1>,4|C<4>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(CH3){1|C<4>,1|C<7>,3|H<1>}	59.5180	0.000	1	59.5180	0.000	1	59.5180	0.000	1	60.7636	0.254	16	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:2:1:	4:4:4:2:	C[3,6]-4:C[3,6]-4:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:C[6]-4:O[3]-2:	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]2)	C[3,6](C[6,6]C[3x6]C[6,6]H)(C[3,6]C[6]2O[3])(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]N[6,6]C[6]H)(C[6]N[6,6]CH)(O[3]C[3,6])	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]2){1|C<2>,2|N<3>,3|C<4>,3|H<1>}	C[3,6](C[6,6]C[3x6]C[6,6]H)(C[3,6]C[6]2O[3])(O[3]C[3,6])(H){1|C<2>,3|C<4>,3|N<3>,4|H<1>}	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]N[6,6]C[6]H)(C[6]N[6,6]CH)(O[3]C[3,6]){3|H<1>,6|C<4>}	60.9104	0.000	1	60.9104	0.000	1	60.9462	0.003	2	60.9462	0.003	2	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:2:1:	4:4:4:2:	C[3,6]-4:C[3,6]-4:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:C[6]-4:O[3]-2:	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]2)	C[3,6](C[6,6]C[3x6]C[6]H)(C[3,6]C[6]2O[3])(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]N[6,6]C[6]H)(C[6]N[6,6]CH)(O[3]C[3,6])	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]2){1|C<2>,2|N<3>,3|C<4>,3|H<1>}	C[3,6](C[6,6]C[3x6]C[6]H)(C[3,6]C[6]2O[3])(O[3]C[3,6])(H){1|C<2>,2|C<4>,3|N<3>,5|H<1>}	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]N[6,6]C[6]H)(C[6]N[6,6]CH)(O[3]C[3,6]){3|H<1>,6|C<4>}	60.9819	0.000	1	60.9819	0.000	1	60.9462	0.003	2	60.9462	0.003	2	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:2:3:	4:2:3:3:	C[3,6]-4:C[3,6]-4:	C[5,6]-4:C[3,6]-4:O[3]-2:C-3:	C[3,6]-4:O[3]-2:C[6]-3:C-3:	O[3](C[3,6]C[3,6]C[5,6]C)(C[3,6]C[3,6]C[6]C)	C[3,6](C[5,6]C[3,5]C[5,6]C)(C[3,6]C[6]O[3]C)(O[3]C[3,6])(COO)	C[3,6](C[3,6]C[5,6]O[3]C)(O[3]C[3,6])(C[6]C[6]O)(COO)	O[3](C[3,6]C[3,6]C[5,6]C)(C[3,6]C[3,6]C[6]C){1|O<1>,2|C<3>,2|C<4>}	C[3,6](C[5,6]C[3,5]C[5,6]C)(C[3,6]C[6]O[3]C)(O[3]C[3,6])(COO){1|C<3>,1|O<1>,1|O<2>,1|P<4>,2|C<4>}	C[3,6](C[3,6]C[5,6]O[3]C)(O[3]C[3,6])(C[6]C[6]O)(COO){1|C<3>,1|H<1>,2|C<4>}	61.6732	0.000	1	61.6732	0.000	1	61.6732	0.000	1	61.6732	0.000	1	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:2:3:	4:4:2:1:	C[3,6]-4:C[3,6]-4:	C[3,6]-4:C[3,6]-4:O[3]-2:C-3:	C[3,6]-4:C[3,6]-4:O[3]-2:H-1:	O[3](C[3,6]C[3,6]2C)(C[3,6]C[3,6]2H)	C[3,6](C[3,6]C[3,6]C[3]H)(C[3,6]C[3,6]O[3]H)(O[3]C[3,6])(COO)	C[3,6](C[3,6]C[3,6]O[3]C)(C[3,6]C[3,6]O[3]H)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]2C)(C[3,6]C[3,6]2H){1|O<2>,2|H<1>,3|C<4>}	C[3,6](C[3,6]C[3,6]C[3]H)(C[3,6]C[3,6]O[3]H)(O[3]C[3,6])(COO){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[3,6](C[3,6]C[3,6]O[3]C)(C[3,6]C[3,6]O[3]H)(O[3]C[3,6])(H){2|C<4>,2|H<1>}	61.5297	0.000	1	61.5297	0.000	1	61.5297	0.000	1	61.0228	0.514	2	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:2:3:	4:4:2:1:	C[3,6]-4:C[3,6]-4:	C[3,6]-4:C[6]-4:O[3]-2:C-3:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(CHH)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]CH)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H){3|C<4>,3|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(CHH){2|C<4>,3|H<1>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]CH)(O[3]C[3,6])(H){2|C<4>,3|H<1>}	60.5159	0.000	1	60.5159	0.000	1	60.5159	0.000	1	61.0228	0.514	2	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:2:4:	4:2:3:1:	C[3,6]-4:C[3,6]-4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:O[3]-2:C[6]-3:H-1:	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(CH3)	C[3,6](C[3,6]C[6]O[3]C)(O[3]C[3,6])(C[6]C[6]O)(H)	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(CH3){1|C<3>,1|O<1>,1|O<2>}	C[3,6](C[3,6]C[6]O[3]C)(O[3]C[3,6])(C[6]C[6]O)(H){1|C<3>,1|O<2>,2|H<1>}	60.7406	0.000	1	60.7406	0.000	1	60.7406	0.000	1	60.7406	0.000	1	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:2:4:	4:3:2:1:	C[3,6]-4:C[3,6]-4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[6]-3:O[3]-2:H-1:	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]HH)(O[3]C[3,6])(CH3)	C[3,6](C[3,6]C[6]O[3]C)(C[6]N[6,6]O)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]HH)(O[3]C[3,6])(CH3){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]N[6,6]O)(O[3]C[3,6])(H){2|C<4>,2|H<1>}	60.7784	0.000	1	60.7784	0.000	1	60.7784	0.000	1	60.7784	0.000	1	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:2:4:	4:3:2:3:	C[3,6]-4:C[3,6]-4:	C[5,6]-4:C[3,6]-4:O[3]-2:C-4:	C[3,6]-4:C[6]-3:O[3]-2:C-3:	O[3](C[3,6]C[3,6]C[5,6]C)(C[3,6]C[3,6]C[6]C)	C[3,6](C[5,6]C[5,6,6]C[5]H)(C[3,6]C[6]O[3]C)(O[3]C[3,6])(CH3)	C[3,6](C[3,6]C[5,6]O[3]C)(C[6]C[6,6]H)(O[3]C[3,6])(CCO)	O[3](C[3,6]C[3,6]C[5,6]C)(C[3,6]C[3,6]C[6]C){1|C<4>,2|C<3>,2|H<1>}	C[3,6](C[5,6]C[5,6,6]C[5]H)(C[3,6]C[6]O[3]C)(O[3]C[3,6])(CH3){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[3,6](C[3,6]C[5,6]O[3]C)(C[6]C[6,6]H)(O[3]C[3,6])(CCO){1|C<3>,1|H<1>,2|C<4>}	60.8286	0.000	1	60.8286	0.000	1	60.8286	0.000	1	60.8286	0.000	1	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:2:4:	4:4:2:1:	C[3,6]-4:C[3,6]-4:	C[3,6]-4:C[3,6]-4:O[3]-2:C-4:	C[3,6]-4:C[3,6]-4:O[3]-2:H-1:	O[3](C[3,6]C[3,6]2C)(C[3,6]C[3,6]2H)	C[3,6](C[3,6]C[3,6,6]C[3]O[3])(C[3,6]C[3,6]O[3]H)(O[3]C[3,6])(CCCH)	C[3,6](C[3,6]C[3,6,6]O[3]H)(C[3,6]C[3,6]O[3]C)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]2C)(C[3,6]C[3,6]2H){1|H<1>,2|O<2>,3|C<4>}	C[3,6](C[3,6]C[3,6,6]C[3]O[3])(C[3,6]C[3,6]O[3]H)(O[3]C[3,6])(CCCH){2|C<4>,2|O<2>,3|H<1>}	C[3,6](C[3,6]C[3,6,6]O[3]H)(C[3,6]C[3,6]O[3]C)(O[3]C[3,6])(H){1|O<2>,3|C<4>}	60.3102	0.000	1	60.3102	0.000	1	60.3102	0.000	1	60.7192	0.154	27	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:2:4:	4:4:2:1:	C[3,6]-4:C[3,6]-4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6]HH)(O[3]C[3,6])(CCCH)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[3,6]HH)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H){2|C<4>,4|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6]HH)(O[3]C[3,6])(CCCH){1|C<4>,1|N<3>,3|H<1>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[3,6]HH)(O[3]C[3,6])(H){1|N<3>,2|C<4>,2|H<1>}	60.7059	0.000	1	60.7059	0.000	1	60.6272	0.125	17	60.7192	0.154	27	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:2:4:	4:4:2:1:	C[3,6]-4:C[3,6]-4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6]HH)(O[3]C[3,6])(CH3)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[3,6]HH)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H){2|C<4>,4|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6]HH)(O[3]C[3,6])(CH3){1|C<4>,1|N<3>,3|H<1>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[3,6]HH)(O[3]C[3,6])(H){1|C<4>,1|N<3>,3|H<1>}	60.4047	0.000	1	60.6801	0.150	3	60.6272	0.125	17	60.7192	0.154	27	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:2:4:	4:4:2:1:	C[3,6]-4:C[3,6]-4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6]HH)(O[3]C[3,6])(CH3)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[3,6]HH)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H){2|C<4>,4|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6]HH)(O[3]C[3,6])(CH3){1|C<4>,1|N<3>,3|H<1>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[3,6]HH)(O[3]C[3,6])(H){1|N<3>,2|C<4>,2|H<1>}	60.5126	0.000	1	60.6801	0.150	3	60.6272	0.125	17	60.7192	0.154	27	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:2:4:	4:4:2:1:	C[3,6]-4:C[3,6]-4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6]HH)(O[3]C[3,6])(CH3)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[3,6]HH)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H){2|C<4>,4|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6]HH)(O[3]C[3,6])(CH3){1|N<3>,2|C<4>,2|H<1>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[3,6]HH)(O[3]C[3,6])(H){1|C<4>,1|N<3>,3|H<1>}	61.1229	0.000	1	60.6801	0.150	3	60.6272	0.125	17	60.7192	0.154	27	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:2:4:	4:4:2:1:	C[3,6]-4:C[3,6]-4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[5,6]CH)(O[3]C[3,6])(CC[6]HH)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[5,6]HH)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H){3|C<4>,3|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[5,6]CH)(O[3]C[3,6])(CC[6]HH){2|H<1>,3|C<4>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[5,6]HH)(O[3]C[3,6])(H){1|H<1>,4|C<4>}	60.9410	0.000	1	60.9410	0.000	1	60.6272	0.125	17	60.7192	0.154	27	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:2:4:	4:4:2:1:	C[3,6]-4:C[3,6]-4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[5,6]CH)(O[3]C[3,6])(CH3)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[5,6]CH)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H){1|C<3>,2|H<1>,3|C<4>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[5,6]CH)(O[3]C[3,6])(CH3){1|C<3>,2|C<4>,2|H<1>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[5,6]CH)(O[3]C[3,6])(H){1|C<3>,1|H<1>,3|C<4>}	60.7140	0.000	1	60.4605	0.086	4	60.6272	0.125	17	60.7192	0.154	27	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:2:4:	4:4:2:1:	C[3,6]-4:C[3,6]-4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[5,6]CH)(O[3]C[3,6])(CH3)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[5,6]CH)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H){1|C<3>,2|H<1>,3|C<4>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[5,6]CH)(O[3]C[3,6])(CH3){1|C<3>,2|C<4>,2|H<1>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[5,6]CH)(O[3]C[3,6])(H){1|H<1>,2|C<3>,2|C<4>}	60.3761	0.295	3	60.4605	0.086	4	60.6272	0.125	17	60.7192	0.154	27	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:2:4:	4:4:2:1:	C[3,6]-4:C[3,6]-4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6a]HO)(O[3]C[3,6])(CH3)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6,6a]HO)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H){2|C<3>,2|H<1>,2|O<2>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6a]HO)(O[3]C[3,6])(CH3){1|H<1>,1|O<2>,2|C<3>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6,6a]HO)(O[3]C[3,6])(H){1|H<1>,1|O<2>,2|C<3>}	60.8890	0.000	1	60.8890	0.000	1	60.6272	0.125	17	60.7192	0.154	27	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:2:4:	4:4:2:1:	C[3,6]-4:C[3,6]-4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(CBrHH)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[3,6]CH)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H){3|C<4>,3|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(CBrHH){2|C<4>,3|H<1>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[3,6]CH)(O[3]C[3,6])(H){2|H<1>,3|C<4>}	60.6066	0.000	1	60.6066	0.000	1	60.6272	0.125	17	60.7192	0.154	27	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:2:4:	4:4:2:1:	C[3,6]-4:C[3,6]-4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(CCHH)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H){2|C<4>,4|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(CCHH){1|C<4>,4|H<1>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H){2|C<4>,3|H<1>}	59.8197	0.000	1	59.8197	0.000	1	60.6272	0.125	17	60.7192	0.154	27	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:2:4:	4:4:2:1:	C[3,6]-4:C[3,6]-4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(CH3)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]CH)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H){3|C<4>,3|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(CH3){2|C<4>,3|H<1>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]CH)(O[3]C[3,6])(H){2|C<4>,3|H<1>}	60.8320	0.365	3	60.8320	0.133	3	60.6272	0.125	17	60.7192	0.154	27	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:2:4:	4:4:2:1:	C[3,6]-4:C[3,6]-4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(CH3)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H){2|C<4>,4|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(CH3){2|C<4>,3|H<1>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H){2|C<4>,3|H<1>}	60.4308	0.000	1	60.4308	0.000	1	60.6272	0.125	17	60.7192	0.154	27	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:2:4:	4:4:2:1:	C[3,6]-4:C[3,6]-4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(CCHH)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HO)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(CCHH){1|C<2>,1|C<4>,1|H<1>,1|O<2>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HO)(O[3]C[3,6])(H){1|C<3>,1|O<2>,3|H<1>}	60.8916	0.000	1	60.8916	0.000	1	60.6272	0.125	17	60.7192	0.154	27	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:2:4:	4:4:2:1:	C[3,6]-4:C[3,6]-4:	C[5,6]-4:C[3,6]-4:O[3]-2:C-4:	C[3,6]-4:C[3,6]-4:O[3]-2:H-1:	O[3](C[3,6]C[3,6]C[5,6]C)(C[3,6]C[3,6]2H)	C[3,6](C[5,6]C[3,6,6]C[5]O[5])(C[3,6]C[3,6]O[3]H)(O[3]C[3,6])(CCCH)	C[3,6](C[3,6]C[3,6,6]O[3]H)(C[3,6]C[5,6]O[3]C)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[5,6]C)(C[3,6]C[3,6]2H){1|H<1>,2|O<2>,3|C<4>}	C[3,6](C[5,6]C[3,6,6]C[5]O[5])(C[3,6]C[3,6]O[3]H)(O[3]C[3,6])(CCCH){1|S<3>,2|C<4>,3|H<1>,3|O<2>}	C[3,6](C[3,6]C[3,6,6]O[3]H)(C[3,6]C[5,6]O[3]C)(O[3]C[3,6])(H){1|O<2>,3|C<4>}	61.1833	0.000	1	61.1833	0.000	1	61.1833	0.000	1	60.7192	0.154	27	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:2:4:	4:4:2:1:	C[3,6]-4:C[3,6]-4:	C[5,6]-4:C[3,6]-4:O[3]-2:C-4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	O[3](C[3,6]C[3,6]C[5,6]C)(C[3,6]C[3,6]C[6]H)	C[3,6](C[5,6]C[5,5,6]C[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(CCHH)	C[3,6](C[3,6]C[5,6]O[3]C)(C[6]C[5,6]HH)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[5,6]C)(C[3,6]C[3,6]C[6]H){3|C<4>,3|H<1>}	C[3,6](C[5,6]C[5,5,6]C[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(CCHH){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[3,6](C[3,6]C[5,6]O[3]C)(C[6]C[5,6]HH)(O[3]C[3,6])(H){1|O<2>,2|C<4>,2|H<1>}	60.7122	0.000	1	60.7122	0.000	1	60.8770	0.023	3	60.7192	0.154	27	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:2:4:	4:4:2:1:	C[3,6]-4:C[3,6]-4:	C[5,6]-4:C[3,6]-4:O[3]-2:C-4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	O[3](C[3,6]C[3,6]C[5,6]C)(C[3,6]C[3,6]C[6]H)	C[3,6](C[5,6]C[5,6]C[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(CCHH)	C[3,6](C[3,6]C[5,6]O[3]C)(C[6]C[5,6]HO)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[5,6]C)(C[3,6]C[3,6]C[6]H){1|O<2>,2|H<1>,3|C<4>}	C[3,6](C[5,6]C[5,6]C[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(CCHH){2|O<2>,3|C<4>,3|H<1>}	C[3,6](C[3,6]C[5,6]O[3]C)(C[6]C[5,6]HO)(O[3]C[3,6])(H){2|H<1>,3|C<4>}	60.9097	0.000	1	60.9097	0.000	1	60.8770	0.023	3	60.7192	0.154	27	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:2:4:	4:4:2:1:	C[3,6]-4:C[3,6]-4:	C[5,6]-4:C[3,6]-4:O[3]-2:C-4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	O[3](C[3,6]C[3,6]C[5,6]C)(C[3,6]C[3,6]C[6]H)	C[3,6](C[5,6]C[5,6]C[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(CCHH)	C[3,6](C[3,6]C[5,6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[5,6]C)(C[3,6]C[3,6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[3,6](C[5,6]C[5,6]C[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(CCHH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[3,6](C[3,6]C[5,6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H){1|C<3>,1|C<4>,2|H<1>}	61.0090	0.000	1	61.0090	0.000	1	60.8770	0.023	3	60.7192	0.154	27	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:2:4:	4:4:2:1:	C[3,6]-4:C[3,6]-4:	C[6,6]-4:C[3,6]-4:O[3]-2:C-4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	O[3](C[3,6]C[3,6]C[6,6]C)(C[3,6]C[3,6]C[6]H)	C[3,6](C[6,6]C[5,6]C[6,6]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(CH3)	C[3,6](C[3,6]C[6,6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6,6]C)(C[3,6]C[3,6]C[6]H){3|C<4>,3|H<1>}	C[3,6](C[6,6]C[5,6]C[6,6]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(CH3){1|O<2>,3|H<1>,4|C<4>}	C[3,6](C[3,6]C[6,6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H){1|O<2>,2|C<4>,2|H<1>}	60.9290	0.000	1	60.9290	0.000	1	60.9263	0.282	5	60.7192	0.154	27	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:2:4:	4:4:2:1:	C[3,6]-4:C[3,6]-4:	C[6,6]-4:C[3,6]-4:O[3]-2:C-4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	O[3](C[3,6]C[3,6]C[6,6]C)(C[3,6]C[3,6]C[6]H)	C[3,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(CH3)	C[3,6](C[3,6]C[6,6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6,6]C)(C[3,6]C[3,6]C[6]H){2|H<1>,4|C<4>}	C[3,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(CH3){3|C<4>,5|H<1>}	C[3,6](C[3,6]C[6,6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H){2|H<1>,3|C<4>}	61.1890	0.386	3	61.1890	0.149	3	60.9263	0.282	5	60.7192	0.154	27	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:2:4:	4:4:2:1:	C[3,6]-4:C[3,6]-4:	C[6,6]-4:C[3,6]-4:O[3]-2:C-4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	O[3](C[3,6]C[3,6]C[6,6]C)(C[3,6]C[3,6]C[6]H)	C[3,6](C[6,6]C[6,6]C[6]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(CHHO)	C[3,6](C[3,6]C[6,6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6,6]C)(C[3,6]C[3,6]C[6]H){3|C<4>,3|H<1>}	C[3,6](C[6,6]C[6,6]C[6]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(CHHO){1|O<2>,3|C<4>,4|H<1>}	C[3,6](C[3,6]C[6,6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H){2|H<1>,3|C<4>}	60.1357	0.000	1	60.1357	0.000	1	60.9263	0.282	5	60.7192	0.154	27	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:2:4:	4:4:2:3:	C[3,6]-4:C[3,6]-4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[6]-4:O[3]-2:C-3:	O[3](C[3,6]C[3,6]C[6]C)2	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(CH3)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]CC)(O[3]C[3,6])(CCH)	O[3](C[3,6]C[3,6]C[6]C)2{2|H<1>,4|C<4>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(CH3){1|H<1>,1|O<2>,3|C<4>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]CC)(O[3]C[3,6])(CCH){1|C<4>,4|H<1>}	61.9340	0.000	1	61.9340	0.000	1	61.9340	0.000	1	61.9340	0.000	1	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:2:4:	4:4:2:4:	C[3,6]-4:C[3,6]-4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	O[3](C[3,6]C[3,6]C[6]C)2	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[3,6]HH)(O[3]C[3,6])(CH3)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[3,6]HH)(O[3]C[3,6])(CH3)	O[3](C[3,6]C[3,6]C[6]C)2{2|C<4>,4|H<1>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[3,6]HH)(O[3]C[3,6])(CH3){1|C<4>,1|N<3>,3|H<1>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[3,6]HH)(O[3]C[3,6])(CH3){1|C<4>,1|N<3>,3|H<1>}	60.8091	0.348	2	60.8091	0.121	2	60.9829	0.305	10	60.9829	0.305	10	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:2:4:	4:4:2:4:	C[3,6]-4:C[3,6]-4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	O[3](C[3,6]C[3,6]C[6]C)2	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[5,6]HH)(O[3]C[3,6])(CH3)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[5,6]HH)(O[3]C[3,6])(CH3)	O[3](C[3,6]C[3,6]C[6]C)2{2|C<4>,4|H<1>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[5,6]HH)(O[3]C[3,6])(CH3){1|C<3>,1|C<4>,3|H<1>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[5,6]HH)(O[3]C[3,6])(CH3){1|C<3>,1|C<4>,3|H<1>}	59.7208	0.000	1	59.7208	0.000	1	60.9829	0.305	10	60.9829	0.305	10	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:2:4:	4:4:2:4:	C[3,6]-4:C[3,6]-4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	O[3](C[3,6]C[3,6]C[6]C)2	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6,6]HH)(O[3]C[3,6])(CH3)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6,6]HH)(O[3]C[3,6])(CH3)	O[3](C[3,6]C[3,6]C[6]C)2{2|C<4>,4|H<1>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6,6]HH)(O[3]C[3,6])(CH3){1|C<3>,2|C<4>,2|H<1>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6,6]HH)(O[3]C[3,6])(CH3){2|C<4>,3|H<1>}	60.9717	0.009	2	60.9717	0.000	2	60.9829	0.305	10	60.9829	0.305	10	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:2:4:	4:4:2:4:	C[3,6]-4:C[3,6]-4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	O[3](C[3,6]C[3,6]C[6]C)2	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]CC)(O[3]C[3,6])(CCHH)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(CH3)	O[3](C[3,6]C[3,6]C[6]C)2{2|H<1>,4|C<4>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]CC)(O[3]C[3,6])(CCHH){2|C<4>,3|H<1>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(CH3){2|H<1>,3|C<4>}	61.2025	0.000	1	61.2025	0.000	1	60.9829	0.305	10	60.9829	0.305	10	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:2:4:	4:4:2:4:	C[3,6]-4:C[3,6]-4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	O[3](C[3,6]C[3,6]C[6]C)2	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]CC)(O[3]C[3,6])(CCHO)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(CH3)	O[3](C[3,6]C[3,6]C[6]C)2{2|H<1>,4|C<4>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]CC)(O[3]C[3,6])(CCHO){1|C<4>,4|H<1>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(CH3){2|H<1>,3|C<4>}	61.2013	0.000	1	61.2013	0.000	1	60.9829	0.305	10	60.9829	0.305	10	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:2:4:	4:4:2:4:	C[3,6]-4:C[3,6]-4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	O[3](C[3,6]C[3,6]C[6]C)2	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]CC)(O[3]C[3,6])(CHHO)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HO)(O[3]C[3,6])(CC[3]HO)	O[3](C[3,6]C[3,6]C[6]C)2{1|H<1>,1|O<2>,4|C<4>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]CC)(O[3]C[3,6])(CHHO){1|O<2>,2|C<4>,2|H<1>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HO)(O[3]C[3,6])(CC[3]HO){2|H<1>,3|C<4>}	61.8874	0.000	1	61.8874	0.000	1	60.9829	0.305	10	60.9829	0.305	10	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:2:4:	4:4:2:4:	C[3,6]-4:C[3,6]-4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	O[3](C[3,6]C[3,6]C[6]C)2	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]CH)(O[3]C[3,6])(CH3)	C[3,6](C[3,6]C[6]O[3]C)(C[6]N[6]CH)(O[3]C[3,6])(CH3)	O[3](C[3,6]C[3,6]C[6]C)2{1|N<4>,2|H<1>,3|C<4>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]CH)(O[3]C[3,6])(CH3){1|N<4>,2|C<4>,2|H<1>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]N[6]CH)(O[3]C[3,6])(CH3){2|H<1>,3|C<4>}	61.0399	0.000	1	61.0399	0.000	1	60.9829	0.305	10	60.9829	0.305	10	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:2:4:	4:4:2:4:	C[3,6]-4:C[3,6]-4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	O[3](C[3,6]C[3,6]C[6]C)2	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(CH3)	C[3,6](C[3,6]C[6]O[3]C)(C[6]N[6]CH)(O[3]C[3,6])(CCHH)	O[3](C[3,6]C[3,6]C[6]C)2{1|N<4>,2|C<4>,3|H<1>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(CH3){1|C<4>,1|N<4>,3|H<1>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]N[6]CH)(O[3]C[3,6])(CCHH){2|C<4>,3|H<1>}	61.2155	0.000	1	61.2155	0.000	1	60.9829	0.305	10	60.9829	0.305	10	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:3:2:	4:3:2:1:	C[3,6]-4:C[3,6]-4:	C[3,6]-4:C[6]-4:C[6a]-3:O[3]-2:	C[3,6]-4:C[6]-3:O[3]-2:H-1:	O[3](C[3,6]C[3,6]C[6a]C[6])(C[3,6]C[3,6]C[6]H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]HH)(C[6a]C[6a]2)(O[3]C[3,6])	C[3,6](C[3,6]C[6a]C[6]O[3])(C[6]C[6,6]H)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6a]C[6])(C[3,6]C[3,6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]HH)(C[6a]C[6a]2)(O[3]C[3,6]){1|C<4>,3|C<3>,4|H<1>}	C[3,6](C[3,6]C[6a]C[6]O[3])(C[6]C[6,6]H)(O[3]C[3,6])(H){1|C<4>,2|H<1>,3|C<3>}	61.1698	0.000	1	61.1698	0.000	1	61.1698	0.000	1	61.1698	0.000	1	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:3:2:	4:4:2:1:	C[3,6]-4:C[3,6]-4:	C[3,6]-4:C[5,6]-4:C[6a]-3:O[3]-2:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	O[3](C[3,6]C[3,6]C[5,6]C[6a])(C[3,6]C[3,6]C[6]H)	C[3,6](C[3,6]C[6]O[3]H)(C[5,6]C[5]2C[6])(C[6a]C[6a]2)(O[3]C[3,6])	C[3,6](C[3,6]C[5,6]C[6a]O[3])(C[6]C[6a]C[6]H)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[5,6]C[6a])(C[3,6]C[3,6]C[6]H){1|H<1>,2|C<4>,5|C<3>}	C[3,6](C[3,6]C[6]O[3]H)(C[5,6]C[5]2C[6])(C[6a]C[6a]2)(O[3]C[3,6]){1|C<4>,1|N<2>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[3,6](C[3,6]C[5,6]C[6a]O[3])(C[6]C[6a]C[6]H)(O[3]C[3,6])(H){1|C<4>,1|H<1>,7|C<3>}	62.6556	0.000	1	62.6556	0.000	1	62.6556	0.000	1	62.6556	0.000	1	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3,6]	4:4:	4:4:4:2:	4:3:2:2:	C[3,6]-4:C[3,6]-4:	C[3,6]-4:C[3,6]-4:C[6]-4:O[3]-2:	C[3,6]-4:C[6]-3:O[3]-2:O-2:	O[3](C[3,6]C[3,6]2C[6])(C[3,6]C[3,6]C[6]O)	C[3,6](C[3,6]C[3,6]C[6]O[3])(C[3,6]C[6]O[3]O)(C[6]C[6,6a]HO)(O[3]C[3,6])	C[3,6](C[3,6]C[3,6]C[6]O[3])(C[6]C[6,6a]O)(O[3]C[3,6])(OC)	O[3](C[3,6]C[3,6]2C[6])(C[3,6]C[3,6]C[6]O){1|H<1>,1|O<1>,2|C<3>,2|C<4>,2|O<2>}	C[3,6](C[3,6]C[3,6]C[6]O[3])(C[3,6]C[6]O[3]O)(C[6]C[6,6a]HO)(O[3]C[3,6]){1|H<1>,1|O<1>,2|O<2>,4|C<3>}	C[3,6](C[3,6]C[3,6]C[6]O[3])(C[6]C[6,6a]O)(O[3]C[3,6])(OC){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	61.4947	0.160	8	61.4947	0.025	8	61.4947	0.025	8	61.4947	0.025	8	60.9269	0.271	224	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3]	4:4:	3:3:4:2:	4:2:1:1:	C[3,6]-4:C[3]-4:	C[6,6a]-3:C[6,6]-3:C[3]-4:O[3]-2:	C[3,6]-4:O[3]-2:H-1:H-1:	O[3](C[3,6]C[6,6a]C[6,6]C[3])(C[3]C[3,6]HH)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6])(C[3]O[3]HH)(O[3]C[3])	C[3](C[3,6]C[6,6a]C[6,6]O[3])(O[3]C[3,6])(H)2	O[3](C[3,6]C[6,6a]C[6,6]C[3])(C[3]C[3,6]HH){1|O<2>,3|C<3>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6])(C[3]O[3]HH)(O[3]C[3]){1|H<1>,2|C<4>,3|C<3>}	C[3](C[3,6]C[6,6a]C[6,6]O[3])(O[3]C[3,6])(H)2{1|O<2>,3|C<3>}	61.9962	0.000	1	61.9962	0.000	1	61.9962	0.000	1	61.9962	0.000	1	61.0603	0.353	44	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3]	4:4:	3:4:3:2:	4:2:1:1:	C[3,6]-4:C[3]-4:	C[6]-3:C[3]-4:C[6]-3:O[3]-2:	C[3,6]-4:O[3]-2:H-1:H-1:	O[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)	C[3,6](C[6]C[5,6]H)(C[3]O[3]HH)(C[6]C[6]O)(O[3]C[3])	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(H)2	O[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH){1|H<1>,1|O<1>,2|C<3>}	C[3,6](C[6]C[5,6]H)(C[3]O[3]HH)(C[6]C[6]O)(O[3]C[3]){1|C<3>,1|C<4>,1|H<1>}	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(H)2{1|H<1>,1|O<1>,2|C<3>}	62.4667	0.000	1	62.4667	0.000	1	62.4667	0.000	1	62.4667	0.000	1	61.0603	0.353	44	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3]	4:4:	3:4:4:2:	4:2:1:1:	C[3,6]-4:C[3]-4:	C[5a,6]-3:C[3]-4:C[6]-4:O[3]-2:	C[3,6]-4:O[3]-2:H-1:H-1:	O[3](C[3,6]C[5a,6]C[3]C[6])(C[3]C[3,6]HH)	C[3,6](C[5a,6]C[5a,6]N[5a])(C[3]O[3]HH)(C[6]C[6]HH)(O[3]C[3])	C[3](C[3,6]C[5a,6]C[6]O[3])(O[3]C[3,6])(H)2	O[3](C[3,6]C[5a,6]C[3]C[6])(C[3]C[3,6]HH){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[3,6](C[5a,6]C[5a,6]N[5a])(C[3]O[3]HH)(C[6]C[6]HH)(O[3]C[3]){2|C<4>,2|H<1>,2|N<2>}	C[3](C[3,6]C[5a,6]C[6]O[3])(O[3]C[3,6])(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	60.6508	0.000	1	60.6508	0.000	1	60.6508	0.000	1	60.6508	0.000	1	61.0603	0.353	44	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3]	4:4:	4:3:2:2:	4:2:4:1:	C[3,6]-4:C[3]-4:	C[3]-4:C[6]-3:O[3]-2:O[6]-2:	C[3,6]-4:O[3]-2:C-4:H-1:	O[3](C[3,6]C[3]C[6]O[6])(C[3]C[3,6]CH)	C[3,6](C[3]O[3]CH)(C[6]N[6]O)(O[3]C[3])(O[6]C[6])	C[3](C[3,6]C[6]O[3]O[6])(O[3]C[3,6])(CH3)(H)	O[3](C[3,6]C[3]C[6]O[6])(C[3]C[3,6]CH){1|C<4>,1|N<3>,1|O<1>}	C[3,6](C[3]O[3]CH)(C[6]N[6]O)(O[3]C[3])(O[6]C[6]){1|C<3>,1|H<1>,2|C<4>}	C[3](C[3,6]C[6]O[3]O[6])(O[3]C[3,6])(CH3)(H){1|C<4>,1|N<3>,1|O<1>}	60.4080	0.000	1	60.4080	0.000	1	60.4080	0.000	1	60.4080	0.000	1	61.0603	0.353	44	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3]	4:4:	4:3:3:2:	4:3:2:1:	C[3]-4:C[3,6]-4:	C[3]-4:N[6]-3:N[6]-3:O[3]-2:	C[3,6]-4:C[6a]-3:O[3]-2:H-1:	O[3](C[3]C[3,6]C[6a]H)(C[3,6]C[3]N[6]2)	C[3,6](C[3]C[6a]O[3]H)(N[6]C[6a]C[6])2(O[3]C[3])	C[3](C[3,6]N[6]2O[3])(C[6a]C[6a]2)(O[3]C[3,6])(H)	O[3](C[3]C[3,6]C[6a]H)(C[3,6]C[3]N[6]2){6|C<3>}	C[3,6](C[3]C[6a]O[3]H)(N[6]C[6a]C[6])2(O[3]C[3]){1|C<4>,2|O<1>,6|C<3>}	C[3](C[3,6]N[6]2O[3])(C[6a]C[6a]2)(O[3]C[3,6])(H){2|H<1>,6|C<3>}	61.5815	0.050	2	61.5815	0.003	2	61.5815	0.003	2	61.5815	0.003	2	61.0603	0.353	44	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3]	4:4:	4:3:3:2:	4:4:2:1:	C[3,6]-4:C[3]-4:	C[3]-4:C[6]-3:C[6]-3:O[3]-2:	C[3,6]-4:C[5]-4:O[3]-2:H-1:	O[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]C[5]H)	C[3,6](C[3]C[5]O[3]H)(C[6]C[6]C)(C[6]C[6]H)(O[3]C[3])	C[3](C[3,6]C[6]2O[3])(C[5]C[5]O[5]C)(O[3]C[3,6])(H)	O[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]C[5]H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[3,6](C[3]C[5]O[3]H)(C[6]C[6]C)(C[6]C[6]H)(O[3]C[3]){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[3](C[3,6]C[6]2O[3])(C[5]C[5]O[5]C)(O[3]C[3,6])(H){2|C<4>,3|C<3>,3|H<1>}	62.1224	0.000	1	62.1224	0.000	1	62.1224	0.000	1	62.1224	0.000	1	61.0603	0.353	44	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3]	4:4:	4:4:3:2:	4:2:1:1:	C[3,6]-4:C[3]-4:	C[3x6]-4:C[3]-4:C[6]-3:O[3]-2:	C[3,6]-4:O[3]-2:H-1:H-1:	O[3](C[3,6]C[3x6]C[3]C[6])(C[3]C[3,6]HH)	C[3,6](C[3x6]C[3x6]2H)(C[3]O[3]HH)(C[6]C[6]O)(O[3]C[3])	C[3](C[3,6]C[3x6]C[6]O[3])(O[3]C[3,6])(H)2	O[3](C[3,6]C[3x6]C[3]C[6])(C[3]C[3,6]HH){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[3,6](C[3x6]C[3x6]2H)(C[3]O[3]HH)(C[6]C[6]O)(O[3]C[3]){2|C<3>,2|H<1>,3|C<4>}	C[3](C[3,6]C[3x6]C[6]O[3])(O[3]C[3,6])(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	61.3408	0.143	3	61.3408	0.020	3	61.3408	0.020	3	61.3436	0.014	4	61.0603	0.353	44	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3]	4:4:	4:4:3:2:	4:2:1:1:	C[3,6]-4:C[3]-4:	C[5,6,6]-4:C[3]-4:C[6]-3:O[3]-2:	C[3,6]-4:O[3]-2:H-1:H-1:	O[3](C[3,6]C[5,6,6]C[3]C[6])(C[3]C[3,6]HH)	C[3,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[3]O[3]HH)(C[6]C[6]H)(O[3]C[3])	C[3](C[3,6]C[5,6,6]C[6]O[3])(O[3]C[3,6])(H)2	O[3](C[3,6]C[5,6,6]C[3]C[6])(C[3]C[3,6]HH){1|C<3>,2|C<4>,2|H<1>}	C[3,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[3]O[3]HH)(C[6]C[6]H)(O[3]C[3]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[3](C[3,6]C[5,6,6]C[6]O[3])(O[3]C[3,6])(H)2{1|C<3>,2|C<4>,2|H<1>}	61.3520	0.000	1	61.3520	0.000	1	61.3520	0.000	1	61.3436	0.014	4	61.0603	0.353	44	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3]	4:4:	4:4:3:2:	4:2:4:4:	C[3,6]-4:C[3]-4:	C[5,6]-4:C[3]-4:C[6]-3:O[3]-2:	C[3,6]-4:O[3]-2:C-4:C-4:	O[3](C[3,6]C[5,6]C[3]C[6])(C[3]C[3,6]CC)	C[3,6](C[5,6]C[5,6]C[5]H)(C[3]O[3]CC)(C[6]C[6]C)(O[3]C[3])	C[3](C[3,6]C[5,6]C[6]O[3])(O[3]C[3,6])(CH3)2	O[3](C[3,6]C[5,6]C[3]C[6])(C[3]C[3,6]CC){1|H<1>,2|C<3>,2|C<4>}	C[3,6](C[5,6]C[5,6]C[5]H)(C[3]O[3]CC)(C[6]C[6]C)(O[3]C[3]){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[3](C[3,6]C[5,6]C[6]O[3])(O[3]C[3,6])(CH3)2{1|H<1>,2|C<3>,2|C<4>}	61.3918	0.000	1	61.3918	0.000	1	61.3918	0.000	1	61.3918	0.000	1	61.0603	0.353	44	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3]	4:4:	4:4:4:2:	4:2:1:1:	C[3,6]-4:C[3]-4:	C[3,6,6]-4:C[3,6]-4:C[3]-4:O[3]-2:	C[3,6]-4:O[3]-2:H-1:H-1:	O[3](C[3,6]C[3,6,6]C[3,6]C[3])(C[3]C[3,6]HH)	C[3,6](C[3,6,6]C[3,6,6]C[3,6]O[3])(C[3,6]C[3,6]O[3]C)(C[3]O[3]HH)(O[3]C[3])	C[3](C[3,6]C[3,6,6]C[3,6]O[3])(O[3]C[3,6])(H)2	O[3](C[3,6]C[3,6,6]C[3,6]C[3])(C[3]C[3,6]HH){2|O<2>,4|C<4>}	C[3,6](C[3,6,6]C[3,6,6]C[3,6]O[3])(C[3,6]C[3,6]O[3]C)(C[3]O[3]HH)(O[3]C[3]){1|O<2>,2|H<1>,3|C<4>}	C[3](C[3,6]C[3,6,6]C[3,6]O[3])(O[3]C[3,6])(H)2{2|O<2>,4|C<4>}	61.1128	0.000	1	61.1128	0.000	1	61.1128	0.000	1	60.8360	0.120	16	61.0603	0.353	44	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3]	4:4:	4:4:4:2:	4:2:1:1:	C[3,6]-4:C[3]-4:	C[3]-4:C[6]-4:C[6]-4:O[3]-2:	C[3,6]-4:O[3]-2:H-1:H-1:	O[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)	C[3,6](C[3]O[3]HH)(C[6]C[6]HH)(C[6]C[6]HO)(O[3]C[3])	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(H)2	O[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH){1|O<2>,2|C<4>,3|H<1>}	C[3,6](C[3]O[3]HH)(C[6]C[6]HH)(C[6]C[6]HO)(O[3]C[3]){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(H)2{1|O<2>,2|C<4>,3|H<1>}	60.8228	0.000	1	60.8228	0.000	1	60.8228	0.000	1	60.8360	0.120	16	61.0603	0.353	44	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3]	4:4:	4:4:4:2:	4:2:1:1:	C[3,6]-4:C[3]-4:	C[3x6]-4:C[3]-4:C[6]-4:O[3]-2:	C[3,6]-4:O[3]-2:H-1:H-1:	O[3](C[3,6]C[3x6]C[3]C[6])(C[3]C[3,6]HH)	C[3,6](C[3x6]C[3x6]C[6]2)(C[3]O[3]HH)(C[6]C[6]HO)(O[3]C[3])	C[3](C[3,6]C[3x6]C[6]O[3])(O[3]C[3,6])(H)2	O[3](C[3,6]C[3x6]C[3]C[6])(C[3]C[3,6]HH){1|H<1>,1|O<2>,4|C<4>}	C[3,6](C[3x6]C[3x6]C[6]2)(C[3]O[3]HH)(C[6]C[6]HO)(O[3]C[3]){2|O<2>,3|C<4>,6|H<1>}	C[3](C[3,6]C[3x6]C[6]O[3])(O[3]C[3,6])(H)2{1|H<1>,1|O<2>,4|C<4>}	61.0278	0.000	1	61.0278	0.000	1	61.0278	0.000	1	60.8360	0.120	16	61.0603	0.353	44	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3]	4:4:	4:4:4:2:	4:2:1:1:	C[3,6]-4:C[3]-4:	C[4,6]-4:C[4,6]-4:C[3]-4:O[3]-2:	C[3,6]-4:O[3]-2:H-1:H-1:	O[3](C[3,6]C[4,6]2C[3])(C[3]C[3,6]HH)	C[3,6](C[4,6]C[3,6]C[4]2)2(C[3]O[3]HH)(O[3]C[3])	C[3](C[3,6]C[4,6]2O[3])(O[3]C[3,6])(H)2	O[3](C[3,6]C[4,6]2C[3])(C[3]C[3,6]HH){6|C<4>}	C[3,6](C[4,6]C[3,6]C[4]2)2(C[3]O[3]HH)(O[3]C[3]){2|O<2>,5|C<4>,8|H<1>}	C[3](C[3,6]C[4,6]2O[3])(O[3]C[3,6])(H)2{6|C<4>}	61.0509	0.052	2	61.0509	0.003	2	61.0509	0.003	2	60.8360	0.120	16	61.0603	0.353	44	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3]	4:4:	4:4:4:2:	4:2:1:1:	C[3,6]-4:C[3]-4:	C[5,6]-4:C[3]-4:C[6]-4:O[3]-2:	C[3,6]-4:O[3]-2:H-1:H-1:	O[3](C[3,6]C[5,6]C[3]C[6])(C[3]C[3,6]HH)	C[3,6](C[5,6]C[5,6]C[5]H)(C[3]O[3]HH)(C[6]C[6]HO)(O[3]C[3])	C[3](C[3,6]C[5,6]C[6]O[3])(O[3]C[3,6])(H)2	O[3](C[3,6]C[5,6]C[3]C[6])(C[3]C[3,6]HH){1|O<2>,2|H<1>,3|C<4>}	C[3,6](C[5,6]C[5,6]C[5]H)(C[3]O[3]HH)(C[6]C[6]HO)(O[3]C[3]){4|C<4>,4|H<1>}	C[3](C[3,6]C[5,6]C[6]O[3])(O[3]C[3,6])(H)2{1|O<2>,2|H<1>,3|C<4>}	60.8189	0.000	1	60.8189	0.000	1	60.8189	0.000	1	60.8360	0.120	16	61.0603	0.353	44	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3]	4:4:	4:4:4:2:	4:2:1:1:	C[3,6]-4:C[3]-4:	C[6,6]-4:C[3]-4:C[6]-4:O[3]-2:	C[3,6]-4:O[3]-2:H-1:H-1:	O[3](C[3,6]C[6,6]C[3]C[6])(C[3]C[3,6]HH)	C[3,6](C[6,6]C[6,6]C[6]C)(C[3]O[3]HH)(C[6]C[6]HH)(O[3]C[3])	C[3](C[3,6]C[6,6]C[6]O[3])(O[3]C[3,6])(H)2	O[3](C[3,6]C[6,6]C[3]C[6])(C[3]C[3,6]HH){2|H<1>,4|C<4>}	C[3,6](C[6,6]C[6,6]C[6]C)(C[3]O[3]HH)(C[6]C[6]HH)(O[3]C[3]){1|O<2>,3|C<4>,4|H<1>}	C[3](C[3,6]C[6,6]C[6]O[3])(O[3]C[3,6])(H)2{2|H<1>,4|C<4>}	60.8893	0.000	1	60.8893	0.000	1	60.8936	0.268	5	60.8360	0.120	16	61.0603	0.353	44	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3]	4:4:	4:4:4:2:	4:2:1:1:	C[3,6]-4:C[3]-4:	C[6,6]-4:C[3]-4:C[6]-4:O[3]-2:	C[3,6]-4:O[3]-2:H-1:H-1:	O[3](C[3,6]C[6,6]C[3]C[6])(C[3]C[3,6]HH)	C[3,6](C[6,6]C[6,6]C[6]C)(C[3]O[3]HH)(C[6]C[6]HO)(O[3]C[3])	C[3](C[3,6]C[6,6]C[6]O[3])(O[3]C[3,6])(H)2	O[3](C[3,6]C[6,6]C[3]C[6])(C[3]C[3,6]HH){1|H<1>,1|O<2>,4|C<4>}	C[3,6](C[6,6]C[6,6]C[6]C)(C[3]O[3]HH)(C[6]C[6]HO)(O[3]C[3]){1|O<2>,3|C<4>,4|H<1>}	C[3](C[3,6]C[6,6]C[6]O[3])(O[3]C[3,6])(H)2{1|H<1>,1|O<2>,4|C<4>}	60.8623	0.000	1	61.3042	0.391	2	60.8936	0.268	5	60.8360	0.120	16	61.0603	0.353	44	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3]	4:4:	4:4:4:2:	4:2:1:1:	C[3,6]-4:C[3]-4:	C[6,6]-4:C[3]-4:C[6]-4:O[3]-2:	C[3,6]-4:O[3]-2:H-1:H-1:	O[3](C[3,6]C[6,6]C[3]C[6])(C[3]C[3,6]HH)	C[3,6](C[6,6]C[6,6]C[6]C)(C[3]O[3]HH)(C[6]C[6]HO)(O[3]C[3])	C[3](C[3,6]C[6,6]C[6]O[3])(O[3]C[3,6])(H)2	O[3](C[3,6]C[6,6]C[3]C[6])(C[3]C[3,6]HH){1|H<1>,1|O<2>,4|C<4>}	C[3,6](C[6,6]C[6,6]C[6]C)(C[3]O[3]HH)(C[6]C[6]HO)(O[3]C[3]){2|O<2>,3|C<4>,3|H<1>}	C[3](C[3,6]C[6,6]C[6]O[3])(O[3]C[3,6])(H)2{1|H<1>,1|O<2>,4|C<4>}	61.7461	0.000	1	61.3042	0.391	2	60.8936	0.268	5	60.8360	0.120	16	61.0603	0.353	44	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3]	4:4:	4:4:4:2:	4:2:1:1:	C[3,6]-4:C[3]-4:	C[6,6]-4:C[3]-4:C[6]-4:O[3]-2:	C[3,6]-4:O[3]-2:H-1:H-1:	O[3](C[3,6]C[6,6]C[3]C[6])(C[3]C[3,6]HH)	C[3,6](C[6,6]C[6,6]C[6]H)(C[3]O[3]HH)(C[6]C[6]HO)(O[3]C[3])	C[3](C[3,6]C[6,6]C[6]O[3])(O[3]C[3,6])(H)2	O[3](C[3,6]C[6,6]C[3]C[6])(C[3]C[3,6]HH){1|O<2>,2|H<1>,3|C<4>}	C[3,6](C[6,6]C[6,6]C[6]H)(C[3]O[3]HH)(C[6]C[6]HO)(O[3]C[3]){4|C<4>,4|H<1>}	C[3](C[3,6]C[6,6]C[6]O[3])(O[3]C[3,6])(H)2{1|O<2>,2|H<1>,3|C<4>}	60.4853	0.111	2	60.4853	0.012	2	60.8936	0.268	5	60.8360	0.120	16	61.0603	0.353	44	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3]	4:4:	4:4:4:2:	4:2:1:1:	C[3,6]-4:C[3]-4:	C[6,6]-4:C[6]-4:C[3]-4:O[3]-2:	C[3,6]-4:O[3]-2:H-1:H-1:	O[3](C[3,6]C[6,6]C[3]C[6])(C[3]C[3,6]HH)	C[3,6](C[6,6]C[5,3x6]C[6]O)(C[6]C[5,6]HO)(C[3]O[3]HH)(O[3]C[3])	C[3](C[3,6]C[6,6]C[6]O[3])(O[3]C[3,6])(H)2	O[3](C[3,6]C[6,6]C[3]C[6])(C[3]C[3,6]HH){1|H<1>,2|O<2>,3|C<4>}	C[3,6](C[6,6]C[5,3x6]C[6]O)(C[6]C[5,6]HO)(C[3]O[3]HH)(O[3]C[3]){1|C<3>,1|H<1>,3|C<4>,3|O<2>}	C[3](C[3,6]C[6,6]C[6]O[3])(O[3]C[3,6])(H)2{1|H<1>,2|O<2>,3|C<4>}	60.2499	0.000	1	60.2499	0.000	1	60.2499	0.000	1	60.8360	0.120	16	61.0603	0.353	44	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3]	4:4:	4:4:4:2:	4:2:1:1:	C[3,6]-4:C[3]-4:	C[6]-4:C[3]-4:C[6]-4:O[3]-2:	C[3,6]-4:O[3]-2:H-1:H-1:	O[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)	C[3,6](C[6]C[6,6]CH)(C[3]O[3]HH)(C[6]C[6]HH)(O[3]C[3])	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(H)2	O[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH){3|C<4>,3|H<1>}	C[3,6](C[6]C[6,6]CH)(C[3]O[3]HH)(C[6]C[6]HH)(O[3]C[3]){2|H<1>,3|C<4>}	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(H)2{3|C<4>,3|H<1>}	60.5798	0.087	2	60.5798	0.007	2	60.5798	0.007	2	60.8360	0.120	16	61.0603	0.353	44	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3]	4:4:	4:4:4:2:	4:2:1:1:	C[3,6]-4:C[3]-4:	C[6]-4:C[6]-4:C[3]-4:O[3]-2:	C[3,6]-4:O[3]-2:H-1:H-1:	O[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)	C[3,6](C[6]C[5,6]HH)(C[6]C[6,6]CO)(C[3]O[3]HH)(O[3]C[3])	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(H)2	O[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH){1|O<2>,2|H<1>,3|C<4>}	C[3,6](C[6]C[5,6]HH)(C[6]C[6,6]CO)(C[3]O[3]HH)(O[3]C[3]){1|H<1>,1|O<2>,3|C<4>}	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(H)2{1|O<2>,2|H<1>,3|C<4>}	60.7062	0.000	1	60.7062	0.000	1	60.8071	0.020	2	60.8360	0.120	16	61.0603	0.353	44	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3]	4:4:	4:4:4:2:	4:2:1:1:	C[3,6]-4:C[3]-4:	C[6]-4:C[6]-4:C[3]-4:O[3]-2:	C[3,6]-4:O[3]-2:H-1:H-1:	O[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)	C[3,6](C[6]C[5,6]HH)2(C[3]O[3]HH)(O[3]C[3])	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(H)2	O[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH){2|C<4>,4|H<1>}	C[3,6](C[6]C[5,6]HH)2(C[3]O[3]HH)(O[3]C[3]){1|N<3>,2|C<4>,2|H<1>}	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(H)2{2|C<4>,4|H<1>}	60.9079	0.000	1	60.9079	0.000	1	60.8071	0.020	2	60.8360	0.120	16	61.0603	0.353	44	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3]	4:4:	4:4:4:2:	4:2:3:1:	C[3,6]-4:C[3]-4:	C[3]-4:C[6]-4:C[6]-4:O[3]-2:	C[3,6]-4:O[3]-2:C-3:H-1:	O[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CH)	C[3,6](C[3]O[3]CH)(C[6]C[6]CC)2(O[3]C[3])	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(COO)(H)	O[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CH){2|C<3>,4|C<4>}	C[3,6](C[3]O[3]CH)(C[6]C[6]CC)2(O[3]C[3]){2|C<4>,3|H<1>}	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(COO)(H){2|C<3>,4|C<4>}	62.4351	0.000	1	62.4351	0.000	1	62.4351	0.000	1	62.3597	0.011	2	61.0603	0.353	44	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3]	4:4:	4:4:4:2:	4:2:3:1:	C[3,6]-4:C[3]-4:	C[5,6]-4:C[3]-4:C[6]-4:O[3]-2:	C[3,6]-4:O[3]-2:C-3:H-1:	O[3](C[3,6]C[5,6]C[3]C[6])(C[3]C[3,6]CH)	C[3,6](C[5,6]C[5,5]C[5,6]C)(C[3]O[3]CH)(C[6]C[6]CC)(O[3]C[3])	C[3](C[3,6]C[5,6]C[6]O[3])(O[3]C[3,6])(COO)(H)	O[3](C[3,6]C[5,6]C[3]C[6])(C[3]C[3,6]CH){1|C<3>,5|C<4>}	C[3,6](C[5,6]C[5,5]C[5,6]C)(C[3]O[3]CH)(C[6]C[6]CC)(O[3]C[3]){2|O<2>,3|C<4>,3|H<1>}	C[3](C[3,6]C[5,6]C[6]O[3])(O[3]C[3,6])(COO)(H){1|C<3>,5|C<4>}	62.2844	0.000	1	62.2844	0.000	1	62.2844	0.000	1	62.3597	0.011	2	61.0603	0.353	44	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3]	4:4:	4:4:4:2:	4:2:4:1:	C[3,6]-4:C[3]-4:	C[3]-4:C[6]-4:C[6]-4:O[3]-2:	C[3,6]-4:O[3]-2:C-4:H-1:	O[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CH)	C[3,6](C[3]O[3]CH)(C[6]C[6]CH)(C[6]C[6]HH)(O[3]C[3])	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CC[6]HH)(H)	O[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CH){3|C<4>,3|H<1>}	C[3,6](C[3]O[3]CH)(C[6]C[6]CH)(C[6]C[6]HH)(O[3]C[3]){1|H<1>,2|C<4>,2|O<2>}	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CC[6]HH)(H){3|C<4>,3|H<1>}	60.8604	0.000	1	60.8604	0.000	1	60.6781	0.058	6	60.6781	0.058	6	61.0603	0.353	44	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3]	4:4:	4:4:4:2:	4:2:4:1:	C[3,6]-4:C[3]-4:	C[3]-4:C[6]-4:C[6]-4:O[3]-2:	C[3,6]-4:O[3]-2:C-4:H-1:	O[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CH)	C[3,6](C[3]O[3]CH)(C[6]C[6]HH)(C[6]C[6]HO)(O[3]C[3])	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CH3)(H)	O[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CH){1|O<2>,2|C<4>,3|H<1>}	C[3,6](C[3]O[3]CH)(C[6]C[6]HH)(C[6]C[6]HO)(O[3]C[3]){1|C<4>,1|O<2>,3|H<1>}	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CH3)(H){1|O<2>,2|C<4>,3|H<1>}	60.7606	0.150	3	60.7606	0.023	3	60.6781	0.058	6	60.6781	0.058	6	61.0603	0.353	44	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3]	4:4:	4:4:4:2:	4:2:4:1:	C[3,6]-4:C[3]-4:	C[3]-4:C[6]-4:C[6]-4:O[3]-2:	C[3,6]-4:O[3]-2:C-4:H-1:	O[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CH)	C[3,6](C[3]O[3]CH)(C[6]C[6]HH)2(O[3]C[3])	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CH3)(H)	O[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CH){2|C<4>,4|H<1>}	C[3,6](C[3]O[3]CH)(C[6]C[6]HH)2(O[3]C[3]){1|N<3>,4|H<1>}	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CH3)(H){2|C<4>,4|H<1>}	60.4631	0.312	2	60.4631	0.097	2	60.6781	0.058	6	60.6781	0.058	6	61.0603	0.353	44	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3]	4:4:	4:4:4:2:	4:2:4:4:	C[3,6]-4:C[3]-4:	C[3]-4:C[6]-4:C[6]-4:O[3]-2:	C[3,6]-4:O[3]-2:C-4:C-4:	O[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)	C[3,6](C[3]O[3]CC)(C[6]C[6]CH)(C[6]C[6]HH)(O[3]C[3])	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CCHH)(CH3)	O[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC){3|C<4>,3|H<1>}	C[3,6](C[3]O[3]CC)(C[6]C[6]CH)(C[6]C[6]HH)(O[3]C[3]){1|C<4>,1|O<2>,3|H<1>}	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CCHH)(CH3){3|C<4>,3|H<1>}	60.4507	0.000	1	60.4507	0.000	1	61.0027	0.610	2	60.8461	0.349	7	61.0603	0.353	44	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3]	4:4:	4:4:4:2:	4:2:4:4:	C[3,6]-4:C[3]-4:	C[3]-4:C[6]-4:C[6]-4:O[3]-2:	C[3,6]-4:O[3]-2:C-4:C-4:	O[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)	C[3,6](C[3]O[3]CC)(C[6]C[6]CH)(C[6]C[6]HO)(O[3]C[3])	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CH3)2	O[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[3,6](C[3]O[3]CC)(C[6]C[6]CH)(C[6]C[6]HO)(O[3]C[3]){1|O<2>,2|C<4>,2|H<1>}	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CH3)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	61.5548	0.000	1	61.5548	0.000	1	61.0027	0.610	2	60.8461	0.349	7	61.0603	0.353	44	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3]	4:4:	4:4:4:2:	4:2:4:4:	C[3,6]-4:C[3]-4:	C[6]-4:C[3]-4:C[6]-4:O[3]-2:	C[3,6]-4:O[3]-2:C-4:C-4:	O[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)	C[3,6](C[6]C[3,6]CH)(C[3]O[3]CC)(C[6]C[6]HH)(O[3]C[3])	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CCHH)(CH3)	O[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC){3|C<4>,3|H<1>}	C[3,6](C[6]C[3,6]CH)(C[3]O[3]CC)(C[6]C[6]HH)(O[3]C[3]){2|C<4>,3|H<1>}	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CCHH)(CH3){3|C<4>,3|H<1>}	60.7646	0.710	3	60.7646	0.503	3	60.7835	0.354	5	60.8461	0.349	7	61.0603	0.353	44	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3]	4:4:	4:4:4:2:	4:2:4:4:	C[3,6]-4:C[3]-4:	C[6]-4:C[3]-4:C[6]-4:O[3]-2:	C[3,6]-4:O[3]-2:C-4:C-4:	O[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)	C[3,6](C[6]C[3x3,4]C[3,6]H)(C[3]O[3]CC)(C[6]C[6]HH)(O[3]C[3])	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CC[3]HH)(CH3)	O[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC){1|C<7>,2|C<4>,3|H<1>}	C[3,6](C[6]C[3x3,4]C[3,6]H)(C[3]O[3]CC)(C[6]C[6]HH)(O[3]C[3]){1|C<2>,1|C<3>,1|C<5>,1|C<6>,1|O<2>,3|C<4>,3|H<1>}	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CC[3]HH)(CH3){1|C<7>,2|C<4>,3|H<1>}	60.3620	0.000	1	60.3620	0.000	1	60.7835	0.354	5	60.8461	0.349	7	61.0603	0.353	44	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3]	4:4:	4:4:4:2:	4:2:4:4:	C[3,6]-4:C[3]-4:	C[6]-4:C[3]-4:C[6]-4:O[3]-2:	C[3,6]-4:O[3]-2:C-4:C-4:	O[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)	C[3,6](C[6]C[6,6]HH)(C[3]O[3]CC)(C[6]C[6]HH)(O[3]C[3])	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CH3)2	O[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC){2|C<4>,4|H<1>}	C[3,6](C[6]C[6,6]HH)(C[3]O[3]CC)(C[6]C[6]HH)(O[3]C[3]){1|C<3>,2|C<4>,2|H<1>}	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CH3)2{2|C<4>,4|H<1>}	61.2615	0.000	1	61.2615	0.000	1	60.7835	0.354	5	60.8461	0.349	7	61.0603	0.353	44	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3,6]	C[3]	4:4:	4:4:4:2:	4:3:2:1:	C[3]-4:C[3,6]-4:	C[3]-4:C[6]-4:C[6]-4:O[3]-2:	C[3,6]-4:C[6a]-3:O[3]-2:H-1:	O[3](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]2)	C[3,6](C[3]C[6a]O[3]H)(C[6]C[6]HH)(C[6]C[6]HO)(O[3]C[3])	C[3](C[3,6]C[6]2O[3])(C[6a]C[6a]2)(O[3]C[3,6])(H)	O[3](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]2){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[3,6](C[3]C[6a]O[3]H)(C[6]C[6]HH)(C[6]C[6]HO)(O[3]C[3]){1|C<4>,2|C<3>,4|H<1>}	C[3](C[3,6]C[6]2O[3])(C[6a]C[6a]2)(O[3]C[3,6])(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	60.9927	0.000	1	60.9927	0.000	1	60.9927	0.000	1	60.9927	0.000	1	61.0603	0.353	44	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3,5]	4:4:	4:3:2:1:	3:4:3:2:	C[3,5]-4:C[3]-4:	C[3,5]-4:C[6a]-3:O[3]-2:H-1:	C[5,6a]-3:C[3]-4:C[5]-3:O[3]-2:	O[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]C[6a]H)	C[3](C[3,5]C[5,6a]C[5]O[3])(C[6a]C[6a]2)(O[3]C[3,5])(H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]O[3]H)(C[5]N[5]O)(O[3]C[3])	O[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]C[6a]H){1|N<3>,1|O<1>,4|C<3>}	C[3](C[3,5]C[5,6a]C[5]O[3])(C[6a]C[6a]2)(O[3]C[3,5])(H){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]O[3]H)(C[5]N[5]O)(O[3]C[3]){1|C<4>,1|H<1>,4|C<3>}	62.3995	0.000	1	62.3995	0.000	1	62.3995	0.000	1	62.3995	0.000	1	62.5195	0.645	5	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3,5]	4:4:	4:3:2:1:	4:3:3:2:	C[3]-4:C[3,5]-4:	C[3,5]-4:C[6a]-3:O[3]-2:H-1:	C[3]-4:C[5]-3:C[5]-3:O[3]-2:	O[3](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]2)	C[3](C[3,5]C[5]2O[3])(C[6a]C[6a]2)(O[3]C[3,5])(H)	C[3,5](C[3]C[6a]O[3]H)(C[5]N[5]C)(C[5]N[5]O)(O[3]C[3])	O[3](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]2){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	C[3](C[3,5]C[5]2O[3])(C[6a]C[6a]2)(O[3]C[3,5])(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[3,5](C[3]C[6a]O[3]H)(C[5]N[5]C)(C[5]N[5]O)(O[3]C[3]){3|C<3>}	62.9881	0.357	3	62.9881	0.127	3	62.9881	0.127	3	62.9881	0.127	3	62.5195	0.645	5	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3,5]	4:4:	4:3:2:4:	4:4:4:2:	C[3]-4:C[3,5]-4:	C[3,5]-4:C[6a]-3:O[3]-2:C-4:	C[3]-4:C[5]-4:C[5]-4:O[3]-2:	O[3](C[3]C[3,5]C[6a]C)(C[3,5]C[3]C[5]2)	C[3](C[3,5]C[5]2O[3])(C[6a]C[6a]2)(O[3]C[3,5])(CH3)	C[3,5](C[3]C[6a]O[3]C)(C[5]C[6a]C[5]O)(C[5]O[5]HH)(O[3]C[3])	O[3](C[3]C[3,5]C[6a]C)(C[3,5]C[3]C[5]2){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[3](C[3,5]C[5]2O[3])(C[6a]C[6a]2)(O[3]C[3,5])(CH3){1|C<4>,2|O<2>,3|C<3>,4|H<1>}	C[3,5](C[3]C[6a]O[3]C)(C[5]C[6a]C[5]O)(C[5]O[5]HH)(O[3]C[3]){2|H<1>,4|C<3>}	61.2338	0.000	1	61.2338	0.000	1	61.2338	0.000	1	61.2338	0.000	1	62.5195	0.645	5	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3,6]	4:4:	4:2:4:1:	3:4:4:2:	C[3,6]-4:C[3]-4:	C[3,6]-4:O[3]-2:C-4:H-1:	C[6]-3:C[3]-4:C[6]-4:O[3]-2:	O[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CH)	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CCCH)(H)	C[3,6](C[6]C[6,6a]O)(C[3]O[3]CH)(C[6]C[6]HH)(O[3]C[3])	O[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CH){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CCCH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[3,6](C[6]C[6,6a]O)(C[3]O[3]CH)(C[6]C[6]HH)(O[3]C[3]){2|C<3>,2|H<1>}	61.9703	0.000	1	61.9703	0.000	1	61.9703	0.000	1	61.9703	0.000	1	62.5989	0.185	5	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3,6]	4:4:	4:3:2:1:	4:3:3:2:	C[3,6]-4:C[3]-4:	C[3,6]-4:C[6a]-3:O[3]-2:H-1:	C[3]-4:C[6]-3:N[6]-3:O[3]-2:	O[3](C[3,6]C[3]C[6]N[6])(C[3]C[3,6]C[6a]H)	C[3](C[3,6]C[6]N[6]O[3])(C[6a]C[6a]2)(O[3]C[3,6])(H)	C[3,6](C[3]C[6a]O[3]H)(C[6]N[6]O)(N[6]C[6]C)(O[3]C[3])	O[3](C[3,6]C[3]C[6]N[6])(C[3]C[3,6]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>}	C[3](C[3,6]C[6]N[6]O[3])(C[6a]C[6a]2)(O[3]C[3,6])(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[3,6](C[3]C[6a]O[3]H)(C[6]N[6]O)(N[6]C[6]C)(O[3]C[3]){1|O<1>,2|C<3>,2|C<4>}	62.8822	0.168	3	62.8822	0.028	3	62.8822	0.028	3	62.8822	0.028	3	62.5989	0.185	5	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3,6]	4:4:	4:3:3:2:	4:3:4:2:	C[3]-4:C[3,6]-4:	C[3,6]-4:C[6a]-3:C[6a]-3:O[3]-2:	C[3]-4:C[6]-3:C[6]-4:O[3]-2:	O[3](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]2)	C[3](C[3,6]C[6]2O[3])(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O[3]C[3,6])	C[3,6](C[3]C[6a]2O[3])(C[6]C[6,6a]O)(C[6]O[6]HH)(O[3]C[3])	O[3](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]2){1|N<2>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[3](C[3,6]C[6]2O[3])(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O[3]C[3,6]){1|O<1>,1|O<2>,5|C<3>,5|H<1>}	C[3,6](C[3]C[6a]2O[3])(C[6]C[6,6a]O)(C[6]O[6]HH)(O[3]C[3]){1|N<2>,5|C<3>}	62.3779	0.000	1	62.3779	0.000	1	62.3779	0.000	1	62.3779	0.000	1	62.5989	0.185	5	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	3:3:4:2:	4:2:4:1:	C[3]-4:C[3]-4:	N[6a]-3:C[6a]-3:C[3]-4:O[3]-2:	C[3]-4:O[3]-2:C-4:H-1:	O[3](C[3]C[6a]N[6a]C[3])(C[3]C[3]CH)	C[3](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])	C[3](C[3]C[6a]N[6a]O[3])(O[3]C[3])(CH3)(H)	O[3](C[3]C[6a]N[6a]C[3])(C[3]C[3]CH){4|C<3>}	C[3](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3]){1|O<1>,2|H<1>,5|C<3>}	C[3](C[3]C[6a]N[6a]O[3])(O[3]C[3])(CH3)(H){4|C<3>}	62.3298	0.000	1	62.3298	0.000	1	62.3298	0.000	1	62.3298	0.000	1	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	3:4:2:1:	4:2:1:1:	C[3]-4:C[3]-4:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:H-1:H-1:	O[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)	C[3](C[6a]C[5,6a]C[6a])(C[3]O[3]HH)(O[3]C[3])(H)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(H)2	O[3](C[3]C[6a]C[3]H)(C[3]C[3]HH){2|C<3>}	C[3](C[6a]C[5,6a]C[6a])(C[3]O[3]HH)(O[3]C[3])(H){1|H<1>,3|C<3>}	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(H)2{2|C<3>}	61.0582	0.000	1	61.0582	0.000	1	61.0582	0.000	1	61.0582	0.000	1	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	3:4:2:1:	4:2:3:1:	C[3]-4:C[3]-4:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-3:H-1:	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)	C[3](C[6a]C[6a,6a]C[6a])(C[3]O[3]CH)(O[3]C[3])(H)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CNO)(H)	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH){2|C<3>}	C[3](C[6a]C[6a,6a]C[6a])(C[3]O[3]CH)(O[3]C[3])(H){1|H<1>,3|C<3>}	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CNO)(H){2|C<3>}	61.8733	0.000	1	61.8733	0.000	1	62.0195	0.249	23	62.0195	0.249	23	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	3:4:2:1:	4:2:3:1:	C[3]-4:C[3]-4:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-3:H-1:	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CC[6a]O)(H)	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>}	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CC[6a]O)(H){2|C<3>}	62.0673	0.150	2	62.2335	0.164	13	62.0195	0.249	23	62.0195	0.249	23	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	3:4:2:1:	4:2:3:1:	C[3]-4:C[3]-4:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-3:H-1:	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CC[6a]O)(H)	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){1|F<1>,1|H<1>,2|C<3>}	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CC[6a]O)(H){2|C<3>}	62.4694	0.000	1	62.2335	0.164	13	62.0195	0.249	23	62.0195	0.249	23	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	3:4:2:1:	4:2:3:1:	C[3]-4:C[3]-4:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-3:H-1:	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CC[6a]O)(H)	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){1|H<1>,1|N<3>,2|C<3>}	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CC[6a]O)(H){2|C<3>}	61.9867	0.000	1	62.2335	0.164	13	62.0195	0.249	23	62.0195	0.249	23	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	3:4:2:1:	4:2:3:1:	C[3]-4:C[3]-4:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-3:H-1:	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CC[6a]O)(H)	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){1|H<1>,1|O<2>,2|C<3>}	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CC[6a]O)(H){2|C<3>}	62.6546	0.223	4	62.2335	0.164	13	62.0195	0.249	23	62.0195	0.249	23	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	3:4:2:1:	4:2:3:1:	C[3]-4:C[3]-4:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-3:H-1:	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CC[6a]O)(H)	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CC[6a]O)(H){2|C<3>}	61.9651	0.371	5	62.2335	0.164	13	62.0195	0.249	23	62.0195	0.249	23	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	3:4:2:1:	4:2:3:1:	C[3]-4:C[3]-4:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-3:H-1:	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CNO)(H)	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){1|Br<1>,1|H<1>,2|C<3>}	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CNO)(H){2|C<3>}	62.1257	0.000	1	61.6806	0.282	8	62.0195	0.249	23	62.0195	0.249	23	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	3:4:2:1:	4:2:3:1:	C[3]-4:C[3]-4:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-3:H-1:	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CNO)(H)	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){1|Cl<1>,1|H<1>,2|C<3>}	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CNO)(H){2|C<3>}	61.9201	0.000	1	61.6806	0.282	8	62.0195	0.249	23	62.0195	0.249	23	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	3:4:2:1:	4:2:3:1:	C[3]-4:C[3]-4:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-3:H-1:	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CNO)(H)	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CNO)(H){2|C<3>}	61.5665	0.573	6	61.6806	0.282	8	62.0195	0.249	23	62.0195	0.249	23	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	3:4:2:1:	4:2:3:1:	C[3]-4:C[3]-4:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-3:H-1:	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(COO)(H)	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(COO)(H){2|C<3>}	62.0947	0.000	1	62.0947	0.000	1	62.0195	0.249	23	62.0195	0.249	23	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	3:4:2:1:	4:2:3:2:	C[3]-4:C[3]-4:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-3:C-2:	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)	C[3](C[6a]C[6a]2)(C[3]O[3]CC)(O[3]C[3])(H)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CNO)(CN)	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CC){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]O[3]CC)(O[3]C[3])(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CNO)(CN){2|C<3>}	62.9577	0.000	1	62.9577	0.000	1	63.2479	0.168	2	62.6886	0.646	4	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	3:4:2:1:	4:2:3:2:	C[3]-4:C[3]-4:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-3:C-2:	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)	C[3](C[6a]C[6a]2)(C[3]O[3]CC)(O[3]C[3])(H)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(COO)(CN)	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CC){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]O[3]CC)(O[3]C[3])(H){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>}	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(COO)(CN){2|C<3>}	63.5381	0.000	1	63.5381	0.000	1	63.2479	0.168	2	62.6886	0.646	4	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	3:4:2:1:	4:2:3:2:	C[3]-4:C[3]-4:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-3:S-2:	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CS)	C[3](C[6a]C[6a]2)(C[3]O[3]CS)(O[3]C[3])(H)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CC[6a]O)(SC[3])	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CS){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]O[3]CS)(O[3]C[3])(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CC[6a]O)(SC[3]){2|C<3>}	62.1294	0.720	2	62.1294	0.518	2	62.1294	0.518	2	62.6886	0.646	4	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	3:4:2:1:	4:2:3:3:	C[3]-4:C[3]-4:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-3:C-3:	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)	C[3](C[6a]C[6a]2)(C[3]O[3]CC)(O[3]C[3])(H)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(COO)2	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CC){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]O[3]CC)(O[3]C[3])(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(COO)2{2|C<3>}	62.7993	0.008	2	62.7993	0.000	2	62.7993	0.000	2	62.6820	0.041	3	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	3:4:2:1:	4:2:3:3:	C[3]-4:C[3]-4:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-3:N-3:	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CN)	C[3](C[6a]C[6a]2)(C[3]O[3]CN)(O[3]C[3])(H)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CNO)(NCC)	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CN){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]O[3]CN)(O[3]C[3])(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CNO)(NCC){2|C<3>}	62.4475	0.000	1	62.4475	0.000	1	62.4475	0.000	1	62.6820	0.041	3	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	3:4:2:1:	4:2:3:4:	C[3]-4:C[3]-4:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-3:C-4:	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)	C[3](C[6a]C[6a]2)(C[3]O[3]CC)(O[3]C[3])(H)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CN[6]O)(CH3)	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CC){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]O[3]CC)(O[3]C[3])(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CN[6]O)(CH3){2|C<3>}	61.1530	0.000	1	61.1530	0.000	1	61.1530	0.000	1	61.1530	0.000	1	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	3:4:2:1:	4:2:4:1:	C[3]-4:C[3]-4:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-4:H-1:	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CCHH)(H)	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){1|H<1>,3|C<3>}	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CCHH)(H){2|C<3>}	61.4989	0.000	1	61.4989	0.000	1	61.1933	0.131	10	61.1933	0.131	10	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	3:4:2:1:	4:2:4:1:	C[3]-4:C[3]-4:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-4:H-1:	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CCHO)(H)	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CCHO)(H){2|C<3>}	61.0164	0.545	2	61.0164	0.297	2	61.1933	0.131	10	61.1933	0.131	10	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	3:4:2:1:	4:2:4:1:	C[3]-4:C[3]-4:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-4:H-1:	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CC[5]HH)(H)	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CC[5]HH)(H){2|C<3>}	61.2471	0.235	3	61.2471	0.055	3	61.1933	0.131	10	61.1933	0.131	10	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	3:4:2:1:	4:2:4:1:	C[3]-4:C[3]-4:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-4:H-1:	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CF3)(H)	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CF3)(H){2|C<3>}	61.7673	0.000	1	61.7673	0.000	1	61.1933	0.131	10	61.1933	0.131	10	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	3:4:2:1:	4:2:4:1:	C[3]-4:C[3]-4:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-4:H-1:	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CHHO)(H)	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CHHO)(H){2|C<3>}	61.1040	0.059	2	61.1040	0.004	2	61.1933	0.131	10	61.1933	0.131	10	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	3:4:2:1:	4:2:4:1:	C[3]-4:C[3]-4:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-4:H-1:	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CHOP)(H)	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CHOP)(H){2|C<3>}	60.6851	0.000	1	60.6851	0.000	1	61.1933	0.131	10	61.1933	0.131	10	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	3:4:2:1:	4:2:4:2:	C[3]-4:C[3]-4:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-4:C-2:	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)	C[3](C[6a]C[6a]2)(C[3]O[3]CC)(O[3]C[3])(H)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CHHN)(CN)	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CC){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]O[3]CC)(O[3]C[3])(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CHHN)(CN){2|C<3>}	61.9493	0.000	1	61.9493	0.000	1	61.9493	0.000	1	61.9493	0.000	1	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	3:4:2:1:	4:2:4:3:	C[3]-4:C[3]-4:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-4:N-3:	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CN)	C[3](C[6a]C[6a]2)(C[3]O[3]CN)(O[3]C[3])(H)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CH3)(NOO)	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CN){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]O[3]CN)(O[3]C[3])(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CH3)(NOO){2|C<3>}	62.5145	0.000	1	62.5145	0.000	1	62.5145	0.000	1	62.8488	0.100	3	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	3:4:2:1:	4:2:4:3:	C[3]-4:C[3]-4:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:S-4:C-3:	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CS)	C[3](C[6a]C[6a]2)(C[3]O[3]CS)(O[3]C[3])(H)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(SC[3]OO)(CC[6a]O)	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CS){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]O[3]CS)(O[3]C[3])(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(SC[3]OO)(CC[6a]O){2|C<3>}	63.0159	0.178	2	63.0159	0.032	2	63.0159	0.032	2	62.8488	0.100	3	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	3:4:2:1:	4:2:4:4:	C[3]-4:C[3]-4:	C[5a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-4:C-4:	O[3](C[3]C[5a]C[3]H)(C[3]C[3]CC)	C[3](C[5a]C[5a]O[5a])(C[3]O[3]CC)(O[3]C[3])(H)	C[3](C[3]C[5a]O[3]H)(O[3]C[3])(CC[5]HH)(CH3)	O[3](C[3]C[5a]C[3]H)(C[3]C[3]CC){1|C<3>,1|O<2>}	C[3](C[5a]C[5a]O[5a])(C[3]O[3]CC)(O[3]C[3])(H){1|H<1>,2|C<3>}	C[3](C[3]C[5a]O[3]H)(O[3]C[3])(CC[5]HH)(CH3){1|C<3>,1|O<2>}	61.2687	0.226	3	61.2687	0.051	3	61.2687	0.051	3	61.2687	0.051	3	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	3:4:2:1:	4:4:2:1:	C[3]-4:C[3]-4:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:C-4:O[3]-2:H-1:	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	C[3](C[3]C[6a]O[3]H)(CC[6a]HO)(O[3]C[3])(H)	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]O[3]H)(CC[6a]HO)(O[3]C[3])(H){2|C<3>}	61.6016	0.000	1	61.6016	0.000	1	61.6016	0.000	1	61.6016	0.000	1	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	3:4:2:3:	4:2:3:1:	C[3]-4:C[3]-4:	C[6a]-3:C[3]-4:O[3]-2:C-3:	C[3]-4:O[3]-2:C-3:H-1:	O[3](C[3]C[6a]C[3]C)(C[3]C[3]CH)	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(COO)	C[3](C[3]C[6a]O[3]C)(O[3]C[3])(CC[6a]O)(H)	O[3](C[3]C[6a]C[3]C)(C[3]C[3]CH){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(COO){2|C<3>,2|H<1>}	C[3](C[3]C[6a]O[3]C)(O[3]C[3])(CC[6a]O)(H){2|C<3>}	62.5393	1.216	2	62.5393	1.479	2	62.5393	1.479	2	62.5393	1.479	2	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	3:4:2:3:	4:3:2:3:	C[3]-4:C[3]-4:	C[6a]-3:C[3]-4:O[3]-2:C-3:	C[3]-4:C[6a]-3:O[3]-2:C-3:	O[3](C[3]C[6a]C[3]C)2	C[3](C[6a]C[6a]N[6a])(C[3]C[6a]O[3]C)(O[3]C[3])(CC[6a]O)	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(CCO)	O[3](C[3]C[6a]C[3]C)2{1|N<2>,3|C<3>}	C[3](C[6a]C[6a]N[6a])(C[3]C[6a]O[3]C)(O[3]C[3])(CC[6a]O){1|H<1>,4|C<3>}	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(CCO){1|N<2>,2|H<1>,3|C<3>}	63.3686	0.000	1	63.3686	0.000	1	63.3686	0.000	1	63.3686	0.000	1	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	3:4:2:4:	4:2:1:1:	C[3]-4:C[3]-4:	C[6a]-3:C[3]-4:O[3]-2:C-4:	C[3]-4:O[3]-2:H-1:H-1:	O[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)	C[3](C[6a]C[6a]2)(C[3]O[3]HH)(O[3]C[3])(CF3)	C[3](C[3]C[6a]O[3]C)(O[3]C[3])(H)2	O[3](C[3]C[6a]C[3]C)(C[3]C[3]HH){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]O[3]HH)(O[3]C[3])(CF3){2|C<3>,2|H<1>}	C[3](C[3]C[6a]O[3]C)(O[3]C[3])(H)2{2|C<3>}	61.2476	0.000	1	61.2476	0.000	1	61.2476	0.000	1	61.2476	0.000	1	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	3:4:2:4:	4:2:4:1:	C[3]-4:C[3]-4:	C[6a]-3:C[3]-4:O[3]-2:C-4:	C[3]-4:O[3]-2:C-4:H-1:	O[3](C[3]C[6a]C[3]C)(C[3]C[3]CH)	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(CCHH)	C[3](C[3]C[6a]O[3]C)(O[3]C[3])(CHHN)(H)	O[3](C[3]C[6a]C[3]C)(C[3]C[3]CH){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(CCHH){2|C<3>,2|H<1>}	C[3](C[3]C[6a]O[3]C)(O[3]C[3])(CHHN)(H){2|C<3>}	61.0392	0.165	3	61.0392	0.027	3	61.1397	0.026	8	61.1397	0.026	8	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	3:4:2:4:	4:2:4:1:	C[3]-4:C[3]-4:	C[6a]-3:C[3]-4:O[3]-2:C-4:	C[3]-4:O[3]-2:C-4:H-1:	O[3](C[3]C[6a]C[3]C)(C[3]C[3]CH)	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(CCHH)	C[3](C[3]C[6a]O[3]C)(O[3]C[3])(CHHO)(H)	O[3](C[3]C[6a]C[3]C)(C[3]C[3]CH){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(CCHH){2|C<3>,2|H<1>}	C[3](C[3]C[6a]O[3]C)(O[3]C[3])(CHHO)(H){2|C<3>}	61.0079	0.000	1	61.0079	0.000	1	61.1397	0.026	8	61.1397	0.026	8	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	3:4:2:4:	4:2:4:1:	C[3]-4:C[3]-4:	C[6a]-3:C[3]-4:O[3]-2:C-4:	C[3]-4:O[3]-2:C-4:H-1:	O[3](C[3]C[6a]C[3]C)(C[3]C[3]CH)	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(CHHO)	C[3](C[3]C[6a]O[3]C)(O[3]C[3])(CHHN)(H)	O[3](C[3]C[6a]C[3]C)(C[3]C[3]CH){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(CHHO){2|C<3>,2|H<1>}	C[3](C[3]C[6a]O[3]C)(O[3]C[3])(CHHN)(H){2|C<3>}	61.1833	0.057	2	61.1833	0.003	2	61.1397	0.026	8	61.1397	0.026	8	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	3:4:2:4:	4:2:4:1:	C[3]-4:C[3]-4:	C[6a]-3:C[3]-4:O[3]-2:C-4:	C[3]-4:O[3]-2:C-4:H-1:	O[3](C[3]C[6a]C[3]C)(C[3]C[3]CH)	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(CHHO)	C[3](C[3]C[6a]O[3]C)(O[3]C[3])(CN[6]HH)(H)	O[3](C[3]C[6a]C[3]C)(C[3]C[3]CH){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(CHHO){2|C<3>,2|H<1>}	C[3](C[3]C[6a]O[3]C)(O[3]C[3])(CN[6]HH)(H){2|C<3>}	61.3126	0.100	2	61.3126	0.010	2	61.1397	0.026	8	61.1397	0.026	8	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	3:4:2:4:	4:2:4:4:	C[3]-4:C[3]-4:	C[6a]-3:C[3]-4:O[3]-2:C-4:	C[3]-4:O[3]-2:C-4:C-4:	O[3](C[3]C[6a]C[3]C)(C[3]C[3]CC)	C[3](C[6a]C[6a]2)(C[3]O[3]CC)(O[3]C[3])(CHHI)	C[3](C[3]C[6a]O[3]C)(O[3]C[3])(CH3)2	O[3](C[3]C[6a]C[3]C)(C[3]C[3]CC){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]O[3]CC)(O[3]C[3])(CHHI){2|C<3>,2|H<1>}	C[3](C[3]C[6a]O[3]C)(O[3]C[3])(CH3)2{2|C<3>}	63.2262	0.000	1	63.2262	0.000	1	63.2262	0.000	1	63.2262	0.000	1	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	3:4:4:2:	4:2:1:1:	C[3]-4:C[3]-4:	C[6a]-3:C[3]-4:C-4:O[3]-2:	C[3]-4:O[3]-2:H-1:H-1:	O[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)	C[3](C[6a]C[6a]2)(C[3]O[3]HH)(CC[6a]HO)(O[3]C[3])	C[3](C[3]C[6a]O[3]C)(O[3]C[3])(H)2	O[3](C[3]C[6a]C[3]C)(C[3]C[3]HH){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]O[3]HH)(CC[6a]HO)(O[3]C[3]){2|C<3>,2|H<1>}	C[3](C[3]C[6a]O[3]C)(O[3]C[3])(H)2{2|C<3>}	60.8190	0.000	1	60.8190	0.000	1	60.8190	0.000	1	60.8190	0.000	1	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:2:1:1:	4:2:1:1:	C[3]-4:C[3]-4:	C[3]-4:O[3]-2:H-1:H-1:	C[3]-4:O[3]-2:H-1:H-1:	O[3](C[3]C[3]HH)2	C[3](C[3]O[3]HH)(O[3]C[3])(H)2	C[3](C[3]O[3]HH)(O[3]C[3])(H)2	O[3](C[3]C[3]HH)2	C[3](C[3]O[3]HH)(O[3]C[3])(H)2	C[3](C[3]O[3]HH)(O[3]C[3])(H)2	60.8989	0.017	2	60.8989	0.000	2	60.8989	0.000	2	60.8989	0.000	2	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:2:2:2:	4:2:2:2:	C[3]-4:C[3]-4:	C[3]-4:O[3]-2:C-2:C-2:	C[3]-4:O[3]-2:C-2:C-2:	O[3](C[3]C[3]CC)2	C[3](C[3]O[3]CC)(O[3]C[3])(CN)2	C[3](C[3]O[3]CC)(O[3]C[3])(CN)2	O[3](C[3]C[3]CC)2	C[3](C[3]O[3]CC)(O[3]C[3])(CN)2	C[3](C[3]O[3]CC)(O[3]C[3])(CN)2	63.5451	0.000	1	63.5451	0.000	1	63.5451	0.000	1	63.5451	0.000	1	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:2:2:3:	4:4:2:1:	C[3]-4:C[3]-4:	C[3]-4:O[3]-2:S-2:N-3:	C[3]-4:C-4:O[3]-2:H-1:	O[3](C[3]C[3]CH)(C[3]C[3]NS)	C[3](C[3]O[3]CH)(O[3]C[3])(SC[6a])(NOO)	C[3](C[3]O[3]NS)(CC[6a]HO)(O[3]C[3])(H)	O[3](C[3]C[3]CH)(C[3]C[3]NS)	C[3](C[3]O[3]CH)(O[3]C[3])(SC[6a])(NOO)	C[3](C[3]O[3]NS)(CC[6a]HO)(O[3]C[3])(H)	62.3082	0.000	1	62.3082	0.000	1	62.3082	0.000	1	62.3082	0.000	1	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:2:3:1:	4:2:3:1:	C[3]-4:C[3]-4:	C[3]-4:O[3]-2:C-3:H-1:	C[3]-4:O[3]-2:C-3:H-1:	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(CCH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(COO)(H)	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(CCH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(COO)(H)	62.4402	0.000	1	62.4402	0.000	1	62.3486	0.063	7	62.3486	0.063	7	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:2:3:1:	4:2:3:1:	C[3]-4:C[3]-4:	C[3]-4:O[3]-2:C-3:H-1:	C[3]-4:O[3]-2:C-3:H-1:	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(CC[3]O)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CCC)(H)	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(CC[3]O)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CCC)(H)	62.4158	0.461	2	62.4158	0.213	2	62.3486	0.063	7	62.3486	0.063	7	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:2:3:1:	4:2:3:1:	C[3]-4:C[3]-4:	C[3]-4:O[3]-2:C-3:H-1:	C[3]-4:O[3]-2:C-3:H-1:	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(COO)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(COO)(H)	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(COO)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(COO)(H)	62.1381	0.016	2	62.1381	0.000	2	62.3486	0.063	7	62.3486	0.063	7	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:2:3:1:	4:2:3:1:	C[3]-4:C[3]-4:	C[3]-4:O[3]-2:C-3:H-1:	C[3]-4:O[3]-2:C-3:H-1:	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(CSiC)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CNO)(H)	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(CSiC)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CNO)(H)	62.4462	0.205	2	62.4462	0.042	2	62.3486	0.063	7	62.3486	0.063	7	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:2:3:1:	4:2:4:1:	C[3]-4:C[3]-4:	C[3]-4:O[3]-2:C-3:H-1:	C[3]-4:O[3]-2:C-4:H-1:	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(CC[6a]O)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CH3)(H)	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(CC[6a]O)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CH3)(H)	61.7700	0.000	1	61.7700	0.000	1	61.7700	0.000	1	61.7700	0.000	1	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:2:3:1:	4:2:4:4:	C[3]-4:C[3]-4:	C[3]-4:O[3]-2:C-3:H-1:	C[3]-4:O[3]-2:C-4:C-4:	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CC)(O[3]C[3])(CCO)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CH3)2	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CC)(O[3]C[3])(CCO)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CH3)2	60.6097	0.000	1	60.6097	0.000	1	61.8359	0.743	6	61.8359	0.743	6	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:2:3:1:	4:2:4:4:	C[3]-4:C[3]-4:	C[3]-4:O[3]-2:C-3:H-1:	C[3]-4:O[3]-2:C-4:C-4:	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CC)(O[3]C[3])(CC[5a]O)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(CH3)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CC)(O[3]C[3])(CC[5a]O)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(CH3)	62.0704	0.000	1	62.0704	0.000	1	61.8359	0.743	6	61.8359	0.743	6	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:2:3:1:	4:2:4:4:	C[3]-4:C[3]-4:	C[3]-4:O[3]-2:C-3:H-1:	C[3]-4:O[3]-2:C-4:C-4:	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CC)(O[3]C[3])(CC[6a]O)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(CH3)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CC)(O[3]C[3])(CC[6a]O)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(CH3)	62.0839	0.798	4	62.0839	0.636	4	61.8359	0.743	6	61.8359	0.743	6	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:2:3:3:	4:2:4:1:	C[3]-4:C[3]-4:	C[3]-4:O[3]-2:C-3:C-3:	C[3]-4:O[3]-2:C-4:H-1:	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CH)(O[3]C[3])(CC[3]O)(COO)	C[3](C[3]O[3]CC)(O[3]C[3])(CC[5]HO)(H)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CH)(O[3]C[3])(CC[3]O)(COO)	C[3](C[3]O[3]CC)(O[3]C[3])(CC[5]HO)(H)	62.0036	0.030	2	62.0036	0.001	2	62.0036	0.001	2	61.9421	0.064	4	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:2:3:3:	4:2:4:1:	C[3]-4:C[3]-4:	C[3]-4:O[3]-2:S-3:C-3:	C[3]-4:O[3]-2:C-4:H-1:	O[3](C[3]C[3]CH)(C[3]C[3]CS)	C[3](C[3]O[3]CH)(O[3]C[3])(SC[6a]O)(COO)	C[3](C[3]O[3]CS)(O[3]C[3])(CCHH)(H)	O[3](C[3]C[3]CH)(C[3]C[3]CS)	C[3](C[3]O[3]CH)(O[3]C[3])(SC[6a]O)(COO)	C[3](C[3]O[3]CS)(O[3]C[3])(CCHH)(H)	61.8805	0.419	2	61.8805	0.176	2	61.8805	0.176	2	61.9421	0.064	4	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:2:3:4:	4:2:4:1:	C[3]-4:C[3]-4:	C[3]-4:O[3]-2:C-3:C-4:	C[3]-4:O[3]-2:C-4:H-1:	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CH)(O[3]C[3])(CN[5]O)(CH3)	C[3](C[3]O[3]CC)(O[3]C[3])(CH3)(H)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CH)(O[3]C[3])(CN[5]O)(CH3)	C[3](C[3]O[3]CC)(O[3]C[3])(CH3)(H)	59.9174	0.000	1	59.9174	0.000	1	59.9174	0.000	1	59.9174	0.000	1	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:2:3:4:	4:2:4:4:	C[3]-4:C[3]-4:	C[3]-4:O[3]-2:C-3:C-4:	C[3]-4:O[3]-2:C-4:C-4:	O[3](C[3]C[3]CC)2	C[3](C[3]O[3]CC)(O[3]C[3])(CC[5]O)(CCHH)	C[3](C[3]O[3]CC)(O[3]C[3])(CH3)2	O[3](C[3]C[3]CC)2	C[3](C[3]O[3]CC)(O[3]C[3])(CC[5]O)(CCHH)	C[3](C[3]O[3]CC)(O[3]C[3])(CH3)2	61.5688	0.000	1	61.5688	0.000	1	61.5688	0.000	1	61.5688	0.000	1	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:2:4:1:	4:2:1:1:	C[3]-4:C[3]-4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:O[3]-2:H-1:H-1:	O[3](C[3]C[3]CH)(C[3]C[3]HH)	C[3](C[3]O[3]HH)(O[3]C[3])(CCCH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(H)2	O[3](C[3]C[3]CH)(C[3]C[3]HH)	C[3](C[3]O[3]HH)(O[3]C[3])(CCCH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(H)2	60.6423	0.000	1	60.6423	0.000	1	60.7687	0.840	19	60.7687	0.840	19	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:2:4:1:	4:2:1:1:	C[3]-4:C[3]-4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:O[3]-2:H-1:H-1:	O[3](C[3]C[3]CH)(C[3]C[3]HH)	C[3](C[3]O[3]HH)(O[3]C[3])(CCCO)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(H)2	O[3](C[3]C[3]CH)(C[3]C[3]HH)	C[3](C[3]O[3]HH)(O[3]C[3])(CCCO)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(H)2	60.9546	0.000	1	60.9546	0.000	1	60.7687	0.840	19	60.7687	0.840	19	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:2:4:1:	4:2:1:1:	C[3]-4:C[3]-4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:O[3]-2:H-1:H-1:	O[3](C[3]C[3]CH)(C[3]C[3]HH)	C[3](C[3]O[3]HH)(O[3]C[3])(CCHH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(H)2	O[3](C[3]C[3]CH)(C[3]C[3]HH)	C[3](C[3]O[3]HH)(O[3]C[3])(CCHH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(H)2	60.2155	0.830	4	60.2155	0.689	4	60.7687	0.840	19	60.7687	0.840	19	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:2:4:1:	4:2:1:1:	C[3]-4:C[3]-4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:O[3]-2:H-1:H-1:	O[3](C[3]C[3]CH)(C[3]C[3]HH)	C[3](C[3]O[3]HH)(O[3]C[3])(CCHN)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(H)2	O[3](C[3]C[3]CH)(C[3]C[3]HH)	C[3](C[3]O[3]HH)(O[3]C[3])(CCHN)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(H)2	60.3103	0.243	2	60.3103	0.059	2	60.7687	0.840	19	60.7687	0.840	19	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:2:4:1:	4:2:1:1:	C[3]-4:C[3]-4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:O[3]-2:H-1:H-1:	O[3](C[3]C[3]CH)(C[3]C[3]HH)	C[3](C[3]O[3]HH)(O[3]C[3])(CC[6]CH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(H)2	O[3](C[3]C[3]CH)(C[3]C[3]HH)	C[3](C[3]O[3]HH)(O[3]C[3])(CC[6]CH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(H)2	60.7300	0.000	1	60.7300	0.000	1	60.7687	0.840	19	60.7687	0.840	19	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:2:4:1:	4:2:1:1:	C[3]-4:C[3]-4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:O[3]-2:H-1:H-1:	O[3](C[3]C[3]CH)(C[3]C[3]HH)	C[3](C[3]O[3]HH)(O[3]C[3])(CH3)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(H)2	O[3](C[3]C[3]CH)(C[3]C[3]HH)	C[3](C[3]O[3]HH)(O[3]C[3])(CH3)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(H)2	62.1129	0.585	4	62.1129	0.342	4	60.7687	0.840	19	60.7687	0.840	19	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:2:4:1:	4:2:1:1:	C[3]-4:C[3]-4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:O[3]-2:H-1:H-1:	O[3](C[3]C[3]CH)(C[3]C[3]HH)	C[3](C[3]O[3]HH)(O[3]C[3])(CHHN)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(H)2	O[3](C[3]C[3]CH)(C[3]C[3]HH)	C[3](C[3]O[3]HH)(O[3]C[3])(CHHN)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(H)2	60.5581	0.000	1	60.5581	0.000	1	60.7687	0.840	19	60.7687	0.840	19	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:2:4:1:	4:2:1:1:	C[3]-4:C[3]-4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:O[3]-2:H-1:H-1:	O[3](C[3]C[3]CH)(C[3]C[3]HH)	C[3](C[3]O[3]HH)(O[3]C[3])(CHHO)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(H)2	O[3](C[3]C[3]CH)(C[3]C[3]HH)	C[3](C[3]O[3]HH)(O[3]C[3])(CHHO)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(H)2	60.3570	0.734	5	60.3570	0.539	5	60.7687	0.840	19	60.7687	0.840	19	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:2:4:1:	4:2:3:1:	C[3]-4:C[3]-4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:O[3]-2:C-3:H-1:	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CCO)(H)	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CCO)(H)	61.8700	0.000	1	61.8700	0.000	1	61.7055	0.012	4	61.7338	0.013	5	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:2:4:1:	4:2:3:1:	C[3]-4:C[3]-4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:O[3]-2:C-3:H-1:	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(CCHO)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(COO)(H)	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(CCHO)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(COO)(H)	61.6751	0.000	1	61.6751	0.000	1	61.7055	0.012	4	61.7338	0.013	5	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:2:4:1:	4:2:3:1:	C[3]-4:C[3]-4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:O[3]-2:C-3:H-1:	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(CH3)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CNO)(H)	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(CH3)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CNO)(H)	61.6384	0.004	2	61.6384	0.000	2	61.7055	0.012	4	61.7338	0.013	5	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:2:4:1:	4:2:3:1:	C[3]-4:C[3]-4:	C[3]-4:O[3]-2:Si-4:H-1:	C[3]-4:O[3]-2:C-3:H-1:	O[3](C[3]C[3]SiH)(C[3]C[3]CH)	C[3](C[3]O[3]CH)(O[3]C[3])(SiC3)(H)	C[3](C[3]O[3]SiH)(O[3]C[3])(CCH)(H)	O[3](C[3]C[3]SiH)(C[3]C[3]CH)	C[3](C[3]O[3]CH)(O[3]C[3])(SiC3)(H)	C[3](C[3]O[3]SiH)(O[3]C[3])(CCH)(H)	61.8469	0.000	1	61.8469	0.000	1	61.8469	0.000	1	61.7338	0.013	5	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:2:4:1:	4:2:4:1:	C[3]-4:C[3]-4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:O[3]-2:C-4:H-1:	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(CCCH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(H)	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(CCCH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(H)	60.8802	0.197	2	60.8802	0.039	2	60.7224	0.225	34	60.7224	0.225	34	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:2:4:1:	4:2:4:1:	C[3]-4:C[3]-4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:O[3]-2:C-4:H-1:	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CC3)(H)	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CC3)(H)	60.2141	0.001	2	60.2141	0.000	2	60.7224	0.225	34	60.7224	0.225	34	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:2:4:1:	4:2:4:1:	C[3]-4:C[3]-4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:O[3]-2:C-4:H-1:	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(H)	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(H)	60.8465	0.448	9	60.8465	0.201	9	60.7224	0.225	34	60.7224	0.225	34	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:2:4:1:	4:2:4:1:	C[3]-4:C[3]-4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:O[3]-2:C-4:H-1:	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHN)(H)	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHN)(H)	60.3206	0.000	1	60.3206	0.000	1	60.7224	0.225	34	60.7224	0.225	34	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:2:4:1:	4:2:4:1:	C[3]-4:C[3]-4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:O[3]-2:C-4:H-1:	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHO)(H)	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHO)(H)	60.6544	0.000	1	60.6544	0.000	1	60.7224	0.225	34	60.7224	0.225	34	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:2:4:1:	4:2:4:1:	C[3]-4:C[3]-4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:O[3]-2:C-4:H-1:	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CHHO)(H)	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CHHO)(H)	60.8134	0.000	1	60.8134	0.000	1	60.7224	0.225	34	60.7224	0.225	34	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:2:4:1:	4:2:4:1:	C[3]-4:C[3]-4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:O[3]-2:C-4:H-1:	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(CCHN)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHO)(H)	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(CCHN)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHO)(H)	60.5319	0.686	2	60.5319	0.471	2	60.7224	0.225	34	60.7224	0.225	34	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:2:4:1:	4:2:4:1:	C[3]-4:C[3]-4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:O[3]-2:C-4:H-1:	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(CCHO)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHO)(H)	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(CCHO)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHO)(H)	61.2248	0.000	1	61.2248	0.000	1	60.7224	0.225	34	60.7224	0.225	34	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:2:4:1:	4:2:4:1:	C[3]-4:C[3]-4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:O[3]-2:C-4:H-1:	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(CC[3]HH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CC3)(H)	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(CC[3]HH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CC3)(H)	60.7624	0.000	1	60.7624	0.000	1	60.7224	0.225	34	60.7224	0.225	34	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:2:4:1:	4:2:4:1:	C[3]-4:C[3]-4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:O[3]-2:C-4:H-1:	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(CC[5]CH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CCCH)(H)	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(CC[5]CH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CCCH)(H)	60.6179	0.000	1	60.6179	0.000	1	60.7224	0.225	34	60.7224	0.225	34	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:2:4:1:	4:2:4:1:	C[3]-4:C[3]-4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:O[3]-2:C-4:H-1:	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(CC[5]CH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(H)	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(CC[5]CH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(H)	60.9303	0.149	2	60.9303	0.022	2	60.7224	0.225	34	60.7224	0.225	34	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:2:4:1:	4:2:4:1:	C[3]-4:C[3]-4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:O[3]-2:C-4:H-1:	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(CC[5]CH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHO)(H)	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(CC[5]CH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHO)(H)	60.3549	0.000	1	60.3549	0.000	1	60.7224	0.225	34	60.7224	0.225	34	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:2:4:1:	4:2:4:1:	C[3]-4:C[3]-4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:O[3]-2:C-4:H-1:	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(CC[5]HH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(H)	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(CC[5]HH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(H)	60.8554	0.092	3	60.8554	0.008	3	60.7224	0.225	34	60.7224	0.225	34	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:2:4:1:	4:2:4:1:	C[3]-4:C[3]-4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:O[3]-2:C-4:H-1:	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(CC[5]HH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CN[5]HH)(H)	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(CC[5]HH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CN[5]HH)(H)	60.7811	0.000	1	60.7811	0.000	1	60.7224	0.225	34	60.7224	0.225	34	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:2:4:1:	4:2:4:1:	C[3]-4:C[3]-4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:O[3]-2:C-4:H-1:	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(CC[6]HH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(H)	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(CC[6]HH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(H)	61.2696	0.028	2	61.2696	0.001	2	60.7224	0.225	34	60.7224	0.225	34	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:2:4:1:	4:2:4:1:	C[3]-4:C[3]-4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:O[3]-2:C-4:H-1:	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(CC[6]HH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CN[6]HH)(H)	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(CC[6]HH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CN[6]HH)(H)	60.5153	0.000	1	60.5153	0.000	1	60.7224	0.225	34	60.7224	0.225	34	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:2:4:1:	4:2:4:1:	C[3]-4:C[3]-4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:O[3]-2:C-4:H-1:	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(CClCH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CHHO)(H)	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(CClCH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CHHO)(H)	60.2263	1.091	3	60.2263	1.191	3	60.7224	0.225	34	60.7224	0.225	34	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:2:4:1:	4:2:4:4:	C[3]-4:C[3]-4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:O[3]-2:C-4:C-4:	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CC)(O[3]C[3])(CCHN)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CH3)2	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CC)(O[3]C[3])(CCHN)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CH3)2	60.8579	0.000	1	60.8579	0.000	1	61.0657	0.061	10	61.0657	0.061	10	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:2:4:1:	4:2:4:4:	C[3]-4:C[3]-4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:O[3]-2:C-4:C-4:	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CC)(O[3]C[3])(CCHO)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CH3)2	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CC)(O[3]C[3])(CCHO)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CH3)2	60.7629	0.098	2	60.7629	0.010	2	61.0657	0.061	10	61.0657	0.061	10	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:2:4:1:	4:2:4:4:	C[3]-4:C[3]-4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:O[3]-2:C-4:C-4:	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CC)(O[3]C[3])(CC[3]HH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(CH3)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CC)(O[3]C[3])(CC[3]HH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(CH3)	61.1955	0.144	5	61.1955	0.021	5	61.0657	0.061	10	61.0657	0.061	10	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:2:4:1:	4:2:4:4:	C[3]-4:C[3]-4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:O[3]-2:C-4:C-4:	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CC)(O[3]C[3])(CC[5]HH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(CH3)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CC)(O[3]C[3])(CC[5]HH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(CH3)	61.1479	0.369	2	61.1479	0.136	2	61.0657	0.061	10	61.0657	0.061	10	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:2:4:1:	4:4:2:1:	C[3]-4:C[3]-4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[3]-4:O[3]-2:H-1:	O[3](C[3]C[3]2H)(C[3]C[3]CH)	C[3](C[3]C[3]O[3]H)(O[3]C[3])(CCHH)(H)	C[3](C[3]C[3]O[3]H)(C[3]O[3]CH)(O[3]C[3])(H)	O[3](C[3]C[3]2H)(C[3]C[3]CH){1|C<4>,1|H<1>,1|O<2>}	C[3](C[3]C[3]O[3]H)(O[3]C[3])(CCHH)(H){1|C<4>,1|H<1>,1|O<2>}	C[3](C[3]C[3]O[3]H)(C[3]O[3]CH)(O[3]C[3])(H){1|C<3>,1|H<1>}	60.2289	0.000	1	60.2289	0.000	1	60.2289	0.000	1	60.0692	0.194	3	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:2:4:1:	4:4:2:1:	C[3]-4:C[3]-4:	C[3]-4:O[3]-2:C-4:H-1:	C[5]-4:C[3]-4:O[3]-2:H-1:	O[3](C[3]C[3]C[5]H)(C[3]C[3]CH)	C[3](C[3]C[5]O[3]H)(O[3]C[3])(CCCH)(H)	C[3](C[5]C[5]O[5]H)(C[3]O[3]CH)(O[3]C[3])(H)	O[3](C[3]C[3]C[5]H)(C[3]C[3]CH){1|C<4>,1|H<1>,1|O<2>}	C[3](C[3]C[5]O[3]H)(O[3]C[3])(CCCH)(H){1|C<4>,1|H<1>,1|O<2>}	C[3](C[5]C[5]O[5]H)(C[3]O[3]CH)(O[3]C[3])(H){1|O<2>,3|C<4>}	60.4072	0.000	1	60.4072	0.000	1	60.4072	0.000	1	60.0692	0.194	3	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:2:4:1:	4:4:2:1:	C[3]-4:C[3]-4:	C[3]-4:O[3]-2:C-4:H-1:	C[6]-4:C[3]-4:O[3]-2:H-1:	O[3](C[3]C[3]C[6]H)(C[3]C[3]CH)	C[3](C[3]C[6]O[3]H)(O[3]C[3])(CCHO)(H)	C[3](C[6]C[6]O[6]H)(C[3]O[3]CH)(O[3]C[3])(H)	O[3](C[3]C[3]C[6]H)(C[3]C[3]CH){1|C<4>,1|H<1>,1|O<2>}	C[3](C[3]C[6]O[3]H)(O[3]C[3])(CCHO)(H){1|C<4>,1|H<1>,1|O<2>}	C[3](C[6]C[6]O[6]H)(C[3]O[3]CH)(O[3]C[3])(H){2|C<4>,2|H<1>}	59.5715	0.000	1	59.5715	0.000	1	59.5715	0.000	1	60.0692	0.194	3	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:2:4:3:	4:2:1:1:	C[3]-4:C[3]-4:	C[3]-4:O[3]-2:C-4:C-3:	C[3]-4:O[3]-2:H-1:H-1:	O[3](C[3]C[3]CC)(C[3]C[3]HH)	C[3](C[3]O[3]HH)(O[3]C[3])(CHHO)(COO)	C[3](C[3]O[3]CC)(O[3]C[3])(H)2	O[3](C[3]C[3]CC)(C[3]C[3]HH)	C[3](C[3]O[3]HH)(O[3]C[3])(CHHO)(COO)	C[3](C[3]O[3]CC)(O[3]C[3])(H)2	61.9855	0.118	2	61.9855	0.014	2	61.9855	0.014	2	61.9855	0.014	2	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:2:4:3:	4:2:4:1:	C[3]-4:C[3]-4:	C[3]-4:O[3]-2:C-4:C-3:	C[3]-4:O[3]-2:C-4:H-1:	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(CHO)	C[3](C[3]O[3]CC)(O[3]C[3])(CCHH)(H)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(CHO)	C[3](C[3]O[3]CC)(O[3]C[3])(CCHH)(H)	61.6598	0.115	2	61.6598	0.013	2	61.3753	0.687	12	61.3753	0.687	12	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:2:4:3:	4:2:4:1:	C[3]-4:C[3]-4:	C[3]-4:O[3]-2:C-4:C-3:	C[3]-4:O[3]-2:C-4:H-1:	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CH)(O[3]C[3])(CH3)(CCO)	C[3](C[3]O[3]CC)(O[3]C[3])(CCHH)(H)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CH)(O[3]C[3])(CH3)(CCO)	C[3](C[3]O[3]CC)(O[3]C[3])(CCHH)(H)	62.0010	0.000	1	62.0010	0.000	1	61.3753	0.687	12	61.3753	0.687	12	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:2:4:3:	4:2:4:1:	C[3]-4:C[3]-4:	C[3]-4:O[3]-2:C-4:C-3:	C[3]-4:O[3]-2:C-4:H-1:	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CH)(O[3]C[3])(CH3)(COO)	C[3](C[3]O[3]CC)(O[3]C[3])(CCHH)(H)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CH)(O[3]C[3])(CH3)(COO)	C[3](C[3]O[3]CC)(O[3]C[3])(CCHH)(H)	61.4898	0.129	5	61.4898	0.017	5	61.3753	0.687	12	61.3753	0.687	12	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:2:4:3:	4:2:4:1:	C[3]-4:C[3]-4:	C[3]-4:O[3]-2:C-4:C-3:	C[3]-4:O[3]-2:C-4:H-1:	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CH)(O[3]C[3])(CH3)(COO)	C[3](C[3]O[3]CC)(O[3]C[3])(CH3)(H)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CH)(O[3]C[3])(CH3)(COO)	C[3](C[3]O[3]CC)(O[3]C[3])(CH3)(H)	60.9334	1.423	4	60.9334	2.026	4	61.3753	0.687	12	61.3753	0.687	12	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:2:4:4:	4:2:1:1:	C[3]-4:C[3]-4:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:O[3]-2:H-1:H-1:	O[3](C[3]C[3]CC)(C[3]C[3]HH)	C[3](C[3]O[3]HH)(O[3]C[3])(CCCH)(CH3)	C[3](C[3]O[3]CC)(O[3]C[3])(H)2	O[3](C[3]C[3]CC)(C[3]C[3]HH)	C[3](C[3]O[3]HH)(O[3]C[3])(CCCH)(CH3)	C[3](C[3]O[3]CC)(O[3]C[3])(H)2	60.4723	0.304	6	60.4723	0.092	6	60.5755	0.152	7	60.5755	0.152	7	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:2:4:4:	4:2:1:1:	C[3]-4:C[3]-4:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:O[3]-2:H-1:H-1:	O[3](C[3]C[3]CC)(C[3]C[3]HH)	C[3](C[3]O[3]HH)(O[3]C[3])(CC[5]HO)(CCHH)	C[3](C[3]O[3]CC)(O[3]C[3])(H)2	O[3](C[3]C[3]CC)(C[3]C[3]HH)	C[3](C[3]O[3]HH)(O[3]C[3])(CC[5]HO)(CCHH)	C[3](C[3]O[3]CC)(O[3]C[3])(H)2	61.1949	0.000	1	61.1949	0.000	1	60.5755	0.152	7	60.5755	0.152	7	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:2:4:4:	4:2:3:1:	C[3]-4:C[3]-4:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:O[3]-2:C-3:H-1:	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(CH3)	C[3](C[3]O[3]CC)(O[3]C[3])(CCO)(H)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(CH3)	C[3](C[3]O[3]CC)(O[3]C[3])(CCO)(H)	62.0067	0.049	3	62.0067	0.002	3	62.0067	0.002	3	62.0067	0.002	3	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:2:4:4:	4:2:4:1:	C[3]-4:C[3]-4:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:O[3]-2:C-4:H-1:	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(CH3)	C[3](C[3]O[3]CC)(O[3]C[3])(CCCH)(H)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(CH3)	C[3](C[3]O[3]CC)(O[3]C[3])(CCCH)(H)	61.2042	0.000	1	61.2042	0.000	1	60.9007	0.224	51	60.9007	0.224	51	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:2:4:4:	4:2:4:1:	C[3]-4:C[3]-4:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:O[3]-2:C-4:H-1:	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(CH3)	C[3](C[3]O[3]CC)(O[3]C[3])(CCHH)(H)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(CH3)	C[3](C[3]O[3]CC)(O[3]C[3])(CCHH)(H)	60.7770	0.343	16	60.7770	0.117	16	60.9007	0.224	51	60.9007	0.224	51	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:2:4:4:	4:2:4:1:	C[3]-4:C[3]-4:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:O[3]-2:C-4:H-1:	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(CH3)	C[3](C[3]O[3]CC)(O[3]C[3])(CCHO)(H)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(CH3)	C[3](C[3]O[3]CC)(O[3]C[3])(CCHO)(H)	60.9117	0.452	6	60.9117	0.205	6	60.9007	0.224	51	60.9007	0.224	51	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:2:4:4:	4:2:4:1:	C[3]-4:C[3]-4:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:O[3]-2:C-4:H-1:	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(CH3)	C[3](C[3]O[3]CC)(O[3]C[3])(CHHN)(H)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(CH3)	C[3](C[3]O[3]CC)(O[3]C[3])(CHHN)(H)	60.6899	0.000	1	60.6899	0.000	1	60.9007	0.224	51	60.9007	0.224	51	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:2:4:4:	4:2:4:1:	C[3]-4:C[3]-4:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:O[3]-2:C-4:H-1:	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(CH3)	C[3](C[3]O[3]CC)(O[3]C[3])(CHHO)(H)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(CH3)	C[3](C[3]O[3]CC)(O[3]C[3])(CHHO)(H)	61.0990	0.129	5	61.0990	0.017	5	60.9007	0.224	51	60.9007	0.224	51	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:2:4:4:	4:2:4:1:	C[3]-4:C[3]-4:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:O[3]-2:C-4:H-1:	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHO)(CH3)	C[3](C[3]O[3]CC)(O[3]C[3])(CCCH)(H)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHO)(CH3)	C[3](C[3]O[3]CC)(O[3]C[3])(CCCH)(H)	60.9294	0.000	1	60.9294	0.000	1	60.9007	0.224	51	60.9007	0.224	51	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:2:4:4:	4:2:4:1:	C[3]-4:C[3]-4:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:O[3]-2:C-4:H-1:	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHO)(CH3)	C[3](C[3]O[3]CC)(O[3]C[3])(CCHH)(H)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHO)(CH3)	C[3](C[3]O[3]CC)(O[3]C[3])(CCHH)(H)	61.2052	0.798	10	61.2052	0.638	10	60.9007	0.224	51	60.9007	0.224	51	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:2:4:4:	4:2:4:1:	C[3]-4:C[3]-4:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:O[3]-2:C-4:H-1:	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CH)(O[3]C[3])(CC[3]HH)(CH3)	C[3](C[3]O[3]CC)(O[3]C[3])(CCHH)(H)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CH)(O[3]C[3])(CC[3]HH)(CH3)	C[3](C[3]O[3]CC)(O[3]C[3])(CCHH)(H)	60.6870	0.177	6	60.6870	0.031	6	60.9007	0.224	51	60.9007	0.224	51	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:2:4:4:	4:2:4:1:	C[3]-4:C[3]-4:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:O[3]-2:C-4:H-1:	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CH)(O[3]C[3])(CC[5]HH)(CH3)	C[3](C[3]O[3]CC)(O[3]C[3])(CCHH)(H)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CH)(O[3]C[3])(CC[5]HH)(CH3)	C[3](C[3]O[3]CC)(O[3]C[3])(CCHH)(H)	60.8782	0.248	3	60.8782	0.062	3	60.9007	0.224	51	60.9007	0.224	51	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:2:4:4:	4:2:4:1:	C[3]-4:C[3]-4:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:O[3]-2:C-4:H-1:	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CH)(O[3]C[3])(CC[6]HH)(CCCH)	C[3](C[3]O[3]CC)(O[3]C[3])(CCHH)(H)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CH)(O[3]C[3])(CC[6]HH)(CCCH)	C[3](C[3]O[3]CC)(O[3]C[3])(CCHH)(H)	60.7362	0.000	1	60.7362	0.000	1	60.9007	0.224	51	60.9007	0.224	51	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:2:4:4:	4:2:4:1:	C[3]-4:C[3]-4:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:O[3]-2:C-4:H-1:	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CH)(O[3]C[3])(CC[6]HO)(CH3)	C[3](C[3]O[3]CC)(O[3]C[3])(CH3)(H)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CH)(O[3]C[3])(CC[6]HO)(CH3)	C[3](C[3]O[3]CC)(O[3]C[3])(CH3)(H)	60.1693	0.000	1	60.1693	0.000	1	60.9007	0.224	51	60.9007	0.224	51	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:2:4:4:	4:2:4:4:	C[3]-4:C[3]-4:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:O[3]-2:C-4:C-4:	O[3](C[3]C[3]CC)2	C[3](C[3]O[3]CC)(O[3]C[3])(CC[3]HH)(CCHH)	C[3](C[3]O[3]CC)(O[3]C[3])(CC[3]HH)(CCHH)	O[3](C[3]C[3]CC)2	C[3](C[3]O[3]CC)(O[3]C[3])(CC[3]HH)(CCHH)	C[3](C[3]O[3]CC)(O[3]C[3])(CC[3]HH)(CCHH)	61.9324	0.316	5	61.9324	0.100	5	61.9324	0.100	5	61.9324	0.100	5	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:2:4:4:	4:4:2:1:	C[3]-4:C[3]-4:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:C[3]-4:O[3]-2:H-1:	O[3](C[3]C[3]2H)(C[3]C[3]CC)	C[3](C[3]C[3]O[3]H)(O[3]C[3])(CC[5]HH)(CH3)	C[3](C[3]C[3]O[3]H)(C[3]O[3]CC)(O[3]C[3])(H)	O[3](C[3]C[3]2H)(C[3]C[3]CC){1|C<4>,1|H<1>,1|O<2>}	C[3](C[3]C[3]O[3]H)(O[3]C[3])(CC[5]HH)(CH3){1|C<4>,1|H<1>,1|O<2>}	C[3](C[3]C[3]O[3]H)(C[3]O[3]CC)(O[3]C[3])(H){1|C<3>,1|H<1>}	61.4221	0.000	1	61.4221	0.000	1	61.4221	0.000	1	61.4221	0.000	1	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:3:2:1:	4:2:3:1:	C[3]-4:C[3]-4:	C[3]-4:C[6a]-3:O[3]-2:H-1:	C[3]-4:O[3]-2:C-3:Cl-1:	O[3](C[3]C[6a]C[3]H)(C[3]C[3]ClC)	C[3](C[3]O[3]ClC)(C[6a]C[6a]2)(O[3]C[3])(H)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CC[6a]O)(Cl)	O[3](C[3]C[6a]C[3]H)(C[3]C[3]ClC){2|C<3>}	C[3](C[3]O[3]ClC)(C[6a]C[6a]2)(O[3]C[3])(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CC[6a]O)(Cl){2|C<3>}	62.0606	0.041	2	62.0606	0.002	2	61.9175	0.062	3	61.9175	0.062	3	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:3:2:1:	4:2:3:1:	C[3]-4:C[3]-4:	C[3]-4:C[6a]-3:O[3]-2:H-1:	C[3]-4:O[3]-2:C-3:Cl-1:	O[3](C[3]C[6a]C[3]H)(C[3]C[3]ClC)	C[3](C[3]O[3]ClC)(C[6a]C[6a]2)(O[3]C[3])(H)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CNO)(Cl)	O[3](C[3]C[6a]C[3]H)(C[3]C[3]ClC){2|C<3>}	C[3](C[3]O[3]ClC)(C[6a]C[6a]2)(O[3]C[3])(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CNO)(Cl){2|C<3>}	61.6313	0.000	1	61.6313	0.000	1	61.9175	0.062	3	61.9175	0.062	3	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:3:2:1:	4:3:2:1:	C[3]-4:C[3]-4:	C[3]-4:C[6a]-3:O[3]-2:H-1:	C[3]-4:C[6a]-3:O[3]-2:H-1:	O[3](C[3]C[6a]C[3]H)2	C[3](C[3]C[6a]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(H)	C[3](C[3]C[6a]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(H)	O[3](C[3]C[6a]C[3]H)2{4|C<3>}	C[3](C[3]C[6a]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(H){2|H<1>,4|C<3>}	C[3](C[3]C[6a]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(H){2|H<1>,4|C<3>}	61.8501	0.177	2	61.8501	0.032	2	61.8501	0.032	2	61.8501	0.032	2	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:3:2:1:	4:4:2:1:	C[3]-4:C[3]-4:	C[3]-4:C[5]-3:O[3]-2:H-1:	C[3]-4:C[3]-4:O[3]-2:H-1:	O[3](C[3]C[3]C[5]H)(C[3]C[3]2H)	C[3](C[3]C[3]O[3]H)(C[5]C[5]2)(O[3]C[3])(H)	C[3](C[3]C[3]O[3]H)(C[3]C[5]O[3]H)(O[3]C[3])(H)	O[3](C[3]C[3]C[5]H)(C[3]C[3]2H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[3](C[3]C[3]O[3]H)(C[5]C[5]2)(O[3]C[3])(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[3](C[3]C[3]O[3]H)(C[3]C[5]O[3]H)(O[3]C[3])(H){2|C<3>,2|C<4>}	62.1921	0.000	1	62.1921	0.000	1	62.1921	0.000	1	61.4295	1.163	2	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:3:2:1:	4:4:2:1:	C[3]-4:C[3]-4:	C[3]-4:C[6a]-3:O[3]-2:H-1:	B[5,5]-4:C[3]-4:O[3]-2:H-1:	O[3](C[3]B[5,5]C[3]H)(C[3]C[6a]C[3]H)	C[3](C[3]B[5,5]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(H)	C[3](B[5,5]N[5,5]O[5]2)(C[3]C[6a]O[3]H)(O[3]C[3])(H)	O[3](C[3]B[5,5]C[3]H)(C[3]C[6a]C[3]H){1|N<4>,2|C<3>,2|O<2>}	C[3](C[3]B[5,5]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(H){1|N<4>,2|C<3>,2|H<1>,2|O<2>}	C[3](B[5,5]N[5,5]O[5]2)(C[3]C[6a]O[3]H)(O[3]C[3])(H){3|C<4>,4|C<3>}	60.6669	0.000	1	60.6669	0.000	1	60.6669	0.000	1	61.4295	1.163	2	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:3:2:3:	4:3:2:1:	C[3]-4:C[3]-4:	C[3]-4:C[6a]-3:O[3]-2:C-3:	C[3]-4:C[6a]-3:O[3]-2:H-1:	O[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H)	C[3](C[3]C[6a]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(CNO)	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(H)	O[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H){4|C<3>}	C[3](C[3]C[6a]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(CNO){2|H<1>,4|C<3>}	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(H){2|H<1>,4|C<3>}	62.0440	0.000	1	62.0440	0.000	1	61.8615	0.067	2	62.0294	0.118	3	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:3:2:3:	4:3:2:1:	C[3]-4:C[3]-4:	C[3]-4:C[6a]-3:O[3]-2:C-3:	C[3]-4:C[6a]-3:O[3]-2:H-1:	O[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H)	C[3](C[3]C[6a]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(COO)	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(H)	O[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H){4|C<3>}	C[3](C[3]C[6a]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(COO){2|H<1>,4|C<3>}	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(H){2|H<1>,4|C<3>}	61.6791	0.000	1	61.6791	0.000	1	61.8615	0.067	2	62.0294	0.118	3	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:3:2:3:	4:3:2:1:	C[3]-4:C[3]-4:	C[3]-4:C[6a]-3:O[3]-2:N-3:	C[3]-4:C[6a]-3:O[3]-2:H-1:	O[3](C[3]C[6a]C[3]H)(C[3]C[6a]C[3]N)	C[3](C[3]C[6a]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(NOO)	C[3](C[3]C[6a]O[3]N)(C[6a]C[6a]2)(O[3]C[3])(H)	O[3](C[3]C[6a]C[3]H)(C[3]C[6a]C[3]N){4|C<3>}	C[3](C[3]C[6a]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(NOO){2|H<1>,4|C<3>}	C[3](C[3]C[6a]O[3]N)(C[6a]C[6a]2)(O[3]C[3])(H){2|H<1>,4|C<3>}	62.3651	0.000	1	62.3651	0.000	1	62.3651	0.000	1	62.0294	0.118	3	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:3:2:4:	4:3:2:1:	C[3]-4:C[3]-4:	C[3]-4:C[6a]-3:O[3]-2:C-4:	C[3]-4:C[6a]-3:O[3]-2:H-1:	O[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H)	C[3](C[3]C[6a]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(CCCO)	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(H)	O[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H){4|C<3>}	C[3](C[3]C[6a]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(CCCO){2|H<1>,4|C<3>}	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(H){2|H<1>,4|C<3>}	61.5953	0.000	1	61.5953	0.000	1	61.4800	0.027	2	61.4800	0.027	2	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:3:2:4:	4:3:2:1:	C[3]-4:C[3]-4:	C[3]-4:C[6a]-3:O[3]-2:C-4:	C[3]-4:C[6a]-3:O[3]-2:H-1:	O[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H)	C[3](C[3]C[6a]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(CCHH)	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(H)	O[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H){4|C<3>}	C[3](C[3]C[6a]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(CCHH){2|H<1>,4|C<3>}	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(H){2|H<1>,4|C<3>}	61.3646	0.000	1	61.3646	0.000	1	61.4800	0.027	2	61.4800	0.027	2	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:3:2:4:	4:3:2:4:	C[3]-4:C[3]-4:	C[3]-4:C[6a]-3:O[3]-2:C-4:	C[3]-4:C[6a]-3:O[3]-2:C-4:	O[3](C[3]C[6a]C[3]C)2	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(CF3)	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(CH3)	O[3](C[3]C[6a]C[3]C)2{4|C<3>}	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(CF3){2|H<1>,4|C<3>}	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(CH3){2|H<1>,4|C<3>}	62.0090	0.000	1	62.0090	0.000	1	62.3516	0.235	2	62.3516	0.235	2	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:3:2:4:	4:3:2:4:	C[3]-4:C[3]-4:	C[3]-4:C[6a]-3:O[3]-2:C-4:	C[3]-4:C[6a]-3:O[3]-2:C-4:	O[3](C[3]C[6a]C[3]C)2	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(CH3)	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(CH3)	O[3](C[3]C[6a]C[3]C)2{4|C<3>}	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(CH3){1|H<1>,1|O<2>,4|C<3>}	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(CH3){1|H<1>,1|O<2>,4|C<3>}	62.6942	0.000	1	62.6942	0.000	1	62.3516	0.235	2	62.3516	0.235	2	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:3:3:2:	4:3:3:2:	C[3]-4:C[3]-4:	C[3]-4:C[6a]-3:C[6a]-3:O[3]-2:	C[3]-4:C[6a]-3:C[6a]-3:O[3]-2:	O[3](C[3]C[6a]2C[3])2	C[3](C[3]C[6a]2O[3])(C[6a]C[6a]2)2(O[3]C[3])	C[3](C[3]C[6a]2O[3])(C[6a]C[6a]2)2(O[3]C[3])	O[3](C[3]C[6a]2C[3])2{8|C<3>}	C[3](C[3]C[6a]2O[3])(C[6a]C[6a]2)2(O[3]C[3]){10|C<3>,2|H<1>}	C[3](C[3]C[6a]2O[3])(C[6a]C[6a]2)2(O[3]C[3]){10|C<3>,2|H<1>}	63.3010	0.000	1	63.3010	0.000	1	63.3010	0.000	1	63.3010	0.000	1	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:3:4:2:	4:2:1:1:	C[3]-4:C[3]-4:	C[5,6]-4:C[6a]-3:C[3]-4:O[3]-2:	C[3]-4:O[3]-2:H-1:H-1:	O[3](C[3]C[5,6]C[6a]C[3])(C[3]C[3]HH)	C[3](C[5,6]C[5,6,6]C[5]C[6])(C[6a]C[6a]2)(C[3]O[3]HH)(O[3]C[3])	C[3](C[3]C[5,6]C[6a]O[3])(O[3]C[3])(H)2	O[3](C[3]C[5,6]C[6a]C[3])(C[3]C[3]HH){2|C<3>,3|C<4>}	C[3](C[5,6]C[5,6,6]C[5]C[6])(C[6a]C[6a]2)(C[3]O[3]HH)(O[3]C[3]){1|O<2>,3|C<3>,3|C<4>,6|H<1>}	C[3](C[3]C[5,6]C[6a]O[3])(O[3]C[3])(H)2{2|C<3>,3|C<4>}	61.1306	0.000	1	61.1306	0.000	1	61.1306	0.000	1	61.1306	0.000	1	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:4:2:1:	4:2:1:1:	C[3]-4:C[3]-4:	B[5,5]-4:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:H-1:H-1:	O[3](C[3]B[5,5]C[3]H)(C[3]C[3]HH)	C[3](B[5,5]N[5,5]O[5]2)(C[3]O[3]HH)(O[3]C[3])(H)	C[3](C[3]B[5,5]O[3]H)(O[3]C[3])(H)2	O[3](C[3]B[5,5]C[3]H)(C[3]C[3]HH){1|N<4>,2|O<2>}	C[3](B[5,5]N[5,5]O[5]2)(C[3]O[3]HH)(O[3]C[3])(H){2|C<3>,3|C<4>}	C[3](C[3]B[5,5]O[3]H)(O[3]C[3])(H)2{1|N<4>,2|O<2>}	60.6757	0.000	1	60.6757	0.000	1	60.6757	0.000	1	60.6519	0.067	14	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:4:2:1:	4:2:1:1:	C[3]-4:C[3]-4:	C[3]-4:C-4:O[3]-2:H-1:	C[3]-4:O[3]-2:H-1:H-1:	O[3](C[3]C[3]CH)(C[3]C[3]HH)	C[3](C[3]O[3]HH)(CN[6a]HH)(O[3]C[3])(H)	C[3](C[3]O[3]CH)(O[3]C[3])(H)2	O[3](C[3]C[3]CH)(C[3]C[3]HH)	C[3](C[3]O[3]HH)(CN[6a]HH)(O[3]C[3])(H)	C[3](C[3]O[3]CH)(O[3]C[3])(H)2	60.8049	0.181	2	60.8049	0.033	2	60.8049	0.033	2	60.6519	0.067	14	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:4:2:1:	4:2:1:1:	C[3]-4:C[3]-4:	C[3]-4:C[6]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:H-1:H-1:	O[3](C[3]C[3]C[6]H)(C[3]C[3]HH)	C[3](C[3]O[3]HH)(C[6]C[6]2C)(O[3]C[3])(H)	C[3](C[3]C[6]O[3]H)(O[3]C[3])(H)2	O[3](C[3]C[3]C[6]H)(C[3]C[3]HH){1|C<3>,2|C<4>}	C[3](C[3]O[3]HH)(C[6]C[6]2C)(O[3]C[3])(H){1|C<3>,1|C<4>,3|H<1>}	C[3](C[3]C[6]O[3]H)(O[3]C[3])(H)2{1|C<3>,2|C<4>}	60.4582	0.162	4	60.4582	0.026	4	60.4582	0.026	4	60.6519	0.067	14	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:4:2:1:	4:2:1:1:	C[3]-4:C[3]-4:	C[5,6]-4:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:H-1:H-1:	O[3](C[3]C[5,6]C[3]H)(C[3]C[3]HH)	C[3](C[5,6]C[5,6,6]C[5]C[6])(C[3]O[3]HH)(O[3]C[3])(H)	C[3](C[3]C[5,6]O[3]H)(O[3]C[3])(H)2	O[3](C[3]C[5,6]C[3]H)(C[3]C[3]HH){3|C<4>}	C[3](C[5,6]C[5,6,6]C[5]C[6])(C[3]O[3]HH)(O[3]C[3])(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[3](C[3]C[5,6]O[3]H)(O[3]C[3])(H)2{3|C<4>}	61.0526	0.000	1	61.0526	0.000	1	61.0526	0.000	1	60.6519	0.067	14	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:4:2:1:	4:2:1:1:	C[3]-4:C[3]-4:	C[5]-4:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:H-1:H-1:	O[3](C[3]C[3]C[5]H)(C[3]C[3]HH)	C[3](C[5]C[5]N[5]O)(C[3]O[3]HH)(O[3]C[3])(H)	C[3](C[3]C[5]O[3]H)(O[3]C[3])(H)2	O[3](C[3]C[3]C[5]H)(C[3]C[3]HH){1|C<4>,1|N<3>,1|O<2>}	C[3](C[5]C[5]N[5]O)(C[3]O[3]HH)(O[3]C[3])(H){1|C<3>,2|C<4>,2|H<1>}	C[3](C[3]C[5]O[3]H)(O[3]C[3])(H)2{1|C<4>,1|N<3>,1|O<2>}	60.6124	0.000	1	60.6124	0.000	1	60.5731	0.044	5	60.6519	0.067	14	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:4:2:1:	4:2:1:1:	C[3]-4:C[3]-4:	C[5]-4:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:H-1:H-1:	O[3](C[3]C[3]C[5]H)(C[3]C[3]HH)	C[3](C[5]C[5]O[5]C)(C[3]O[3]HH)(O[3]C[3])(H)	C[3](C[3]C[5]O[3]H)(O[3]C[3])(H)2	O[3](C[3]C[3]C[5]H)(C[3]C[3]HH){1|O<2>,2|C<4>}	C[3](C[5]C[5]O[5]C)(C[3]O[3]HH)(O[3]C[3])(H){1|H<1>,1|O<2>,2|C<4>}	C[3](C[3]C[5]O[3]H)(O[3]C[3])(H)2{1|O<2>,2|C<4>}	60.7906	0.000	1	60.7906	0.000	1	60.5731	0.044	5	60.6519	0.067	14	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:4:2:1:	4:2:1:1:	C[3]-4:C[3]-4:	C[5]-4:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:H-1:H-1:	O[3](C[3]C[3]C[5]H)(C[3]C[3]HH)	C[3](C[5]C[5]O[5]H)(C[3]O[3]HH)(O[3]C[3])(H)	C[3](C[3]C[5]O[3]H)(O[3]C[3])(H)2	O[3](C[3]C[3]C[5]H)(C[3]C[3]HH){1|C<4>,1|H<1>,1|O<2>}	C[3](C[5]C[5]O[5]H)(C[3]O[3]HH)(O[3]C[3])(H){1|H<1>,1|O<2>,2|C<4>}	C[3](C[3]C[5]O[3]H)(O[3]C[3])(H)2{1|C<4>,1|H<1>,1|O<2>}	60.5170	0.000	1	60.4876	0.054	3	60.5731	0.044	5	60.6519	0.067	14	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:4:2:1:	4:2:1:1:	C[3]-4:C[3]-4:	C[5]-4:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:H-1:H-1:	O[3](C[3]C[3]C[5]H)(C[3]C[3]HH)	C[3](C[5]C[5]O[5]H)(C[3]O[3]HH)(O[3]C[3])(H)	C[3](C[3]C[5]O[3]H)(O[3]C[3])(H)2	O[3](C[3]C[3]C[5]H)(C[3]C[3]HH){1|C<4>,1|H<1>,1|O<2>}	C[3](C[5]C[5]O[5]H)(C[3]O[3]HH)(O[3]C[3])(H){2|C<4>,2|H<1>}	C[3](C[3]C[5]O[3]H)(O[3]C[3])(H)2{1|C<4>,1|H<1>,1|O<2>}	60.4729	0.325	2	60.4876	0.054	3	60.5731	0.044	5	60.6519	0.067	14	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:4:2:1:	4:2:1:1:	C[3]-4:C[3]-4:	C[6]-4:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:H-1:H-1:	O[3](C[3]C[3]C[6]H)(C[3]C[3]HH)	C[3](C[6]C[6]O[6]H)(C[3]O[3]HH)(O[3]C[3])(H)	C[3](C[3]C[6]O[3]H)(O[3]C[3])(H)2	O[3](C[3]C[3]C[6]H)(C[3]C[3]HH){1|C<4>,1|H<1>,1|O<2>}	C[3](C[6]C[6]O[6]H)(C[3]O[3]HH)(O[3]C[3])(H){1|C<3>,1|C<4>,2|H<1>}	C[3](C[3]C[6]O[3]H)(O[3]C[3])(H)2{1|C<4>,1|H<1>,1|O<2>}	61.0898	0.000	1	61.0898	0.000	1	61.0898	0.000	1	60.6519	0.067	14	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:4:2:1:	4:2:3:1:	C[3]-4:C[3]-4:	C[3]-4:C-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-3:H-1:	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(CC[6a]HH)(O[3]C[3])(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CCO)(H)	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(CC[6a]HH)(O[3]C[3])(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CCO)(H)	61.5647	0.000	1	61.5647	0.000	1	61.5647	0.000	1	61.9950	0.169	4	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:4:2:1:	4:2:3:1:	C[3]-4:C[3]-4:	C[3]-4:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-3:H-1:	O[3](C[3]C[3]2H)(C[3]C[3]CH)	C[3](C[3]C[3]O[3]H)(C[3]O[3]CH)(O[3]C[3])(H)	C[3](C[3]C[3]O[3]H)(O[3]C[3])(CCH)(H)	O[3](C[3]C[3]2H)(C[3]C[3]CH){1|C<4>,1|H<1>,1|O<2>}	C[3](C[3]C[3]O[3]H)(C[3]O[3]CH)(O[3]C[3])(H){1|C<4>,1|H<1>}	C[3](C[3]C[3]O[3]H)(O[3]C[3])(CCH)(H){1|C<4>,1|H<1>,1|O<2>}	61.9456	0.000	1	61.9456	0.000	1	61.9456	0.000	1	61.9950	0.169	4	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:4:2:1:	4:2:3:1:	C[3]-4:C[3]-4:	C[5,6]-4:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-3:H-1:	O[3](C[3]C[5,6]C[3]H)(C[3]C[3]CH)	C[3](C[5,6]C[5,5,6]C[5,6]H)(C[3]O[3]CH)(O[3]C[3])(H)	C[3](C[3]C[5,6]O[3]H)(O[3]C[3])(COO)(H)	O[3](C[3]C[5,6]C[3]H)(C[3]C[3]CH){1|H<1>,2|C<4>}	C[3](C[5,6]C[5,5,6]C[5,6]H)(C[3]O[3]CH)(O[3]C[3])(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[3](C[3]C[5,6]O[3]H)(O[3]C[3])(COO)(H){1|H<1>,2|C<4>}	62.5551	0.000	1	62.2348	0.205	2	62.2348	0.205	2	61.9950	0.169	4	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:4:2:1:	4:2:3:1:	C[3]-4:C[3]-4:	C[5,6]-4:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-3:H-1:	O[3](C[3]C[5,6]C[3]H)(C[3]C[3]CH)	C[3](C[5,6]C[5,5,6]C[5,6]H)(C[3]O[3]CH)(O[3]C[3])(H)	C[3](C[3]C[5,6]O[3]H)(O[3]C[3])(COO)(H)	O[3](C[3]C[5,6]C[3]H)(C[3]C[3]CH){1|H<1>,2|C<4>}	C[3](C[5,6]C[5,5,6]C[5,6]H)(C[3]O[3]CH)(O[3]C[3])(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[3](C[3]C[5,6]O[3]H)(O[3]C[3])(COO)(H){1|H<1>,2|C<4>}	61.9144	0.000	1	62.2348	0.205	2	62.2348	0.205	2	61.9950	0.169	4	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:4:2:1:	4:2:4:1:	C[3]-4:C[3]-4:	B[5,5]-4:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-4:H-1:	O[3](C[3]B[5,5]C[3]H)(C[3]C[3]CH)	C[3](B[5,5]N[5,5]O[5]2)(C[3]O[3]CH)(O[3]C[3])(H)	C[3](C[3]B[5,5]O[3]H)(O[3]C[3])(CH3)(H)	O[3](C[3]B[5,5]C[3]H)(C[3]C[3]CH){1|N<4>,2|O<2>}	C[3](B[5,5]N[5,5]O[5]2)(C[3]O[3]CH)(O[3]C[3])(H){2|C<3>,3|C<4>}	C[3](C[3]B[5,5]O[3]H)(O[3]C[3])(CH3)(H){1|N<4>,2|O<2>}	60.3797	0.000	1	60.3797	0.000	1	60.3797	0.000	1	60.4307	0.063	8	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:4:2:1:	4:2:4:1:	C[3]-4:C[3]-4:	C[3,5]-4:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-4:H-1:	O[3](C[3]C[3,5]C[3]H)(C[3]C[3]CH)	C[3](C[3,5]C[3,5]C[5]O[3])(C[3]O[3]CH)(O[3]C[3])(H)	C[3](C[3]C[3,5]O[3]H)(O[3]C[3])(CCHH)(H)	O[3](C[3]C[3,5]C[3]H)(C[3]C[3]CH){1|O<2>,2|C<4>}	C[3](C[3,5]C[3,5]C[5]O[3])(C[3]O[3]CH)(O[3]C[3])(H){1|H<1>,4|C<4>}	C[3](C[3]C[3,5]O[3]H)(O[3]C[3])(CCHH)(H){1|O<2>,2|C<4>}	60.9843	0.000	1	60.9843	0.000	1	60.9843	0.000	1	60.4307	0.063	8	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:4:2:1:	4:2:4:1:	C[3]-4:C[3]-4:	C[3]-4:C-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-4:H-1:	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(CC[6a]HO)(O[3]C[3])(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CC3)(H)	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(CC[6a]HO)(O[3]C[3])(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CC3)(H)	60.3205	0.039	2	60.3205	0.002	2	60.3205	0.002	2	60.4307	0.063	8	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:4:2:1:	4:2:4:1:	C[3]-4:C[3]-4:	C[4]-4:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-4:H-1:	O[3](C[3]C[3]C[4]H)(C[3]C[3]CH)	C[3](C[4]C[4,6a]C[4]H)(C[3]O[3]CH)(O[3]C[3])(H)	C[3](C[3]C[4]O[3]H)(O[3]C[3])(CCHH)(H)	O[3](C[3]C[3]C[4]H)(C[3]C[3]CH){1|C<3>,1|C<4>,1|H<1>}	C[3](C[4]C[4,6a]C[4]H)(C[3]O[3]CH)(O[3]C[3])(H){1|C<4>,1|H<1>,2|C<3>}	C[3](C[3]C[4]O[3]H)(O[3]C[3])(CCHH)(H){1|C<3>,1|C<4>,1|H<1>}	60.3724	0.000	1	60.3724	0.000	1	60.2977	0.019	3	60.4307	0.063	8	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:4:2:1:	4:2:4:1:	C[3]-4:C[3]-4:	C[4]-4:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-4:H-1:	O[3](C[3]C[3]C[4]H)(C[3]C[3]CH)	C[3](C[4]C[4]2Br)(C[3]O[3]CH)(O[3]C[3])(H)	C[3](C[3]C[4]O[3]H)(O[3]C[3])(CCHH)(H)	O[3](C[3]C[3]C[4]H)(C[3]C[3]CH){1|Br<1>,1|C<3>,1|C<4>}	C[3](C[4]C[4]2Br)(C[3]O[3]CH)(O[3]C[3])(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[3](C[3]C[4]O[3]H)(O[3]C[3])(CCHH)(H){1|Br<1>,1|C<3>,1|C<4>}	60.2604	0.170	2	60.2604	0.029	2	60.2977	0.019	3	60.4307	0.063	8	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:4:2:1:	4:2:4:1:	C[3]-4:C[3]-4:	C[5]-4:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-4:H-1:	O[3](C[3]C[3]C[5]H)(C[3]C[3]CH)	C[3](C[5]C[5]O[5]H)(C[3]O[3]CH)(O[3]C[3])(H)	C[3](C[3]C[5]O[3]H)(O[3]C[3])(CN[5]HH)(H)	O[3](C[3]C[3]C[5]H)(C[3]C[3]CH){1|C<4>,1|H<1>,1|O<2>}	C[3](C[5]C[5]O[5]H)(C[3]O[3]CH)(O[3]C[3])(H){1|H<1>,1|O<2>,2|C<4>}	C[3](C[3]C[5]O[3]H)(O[3]C[3])(CN[5]HH)(H){1|C<4>,1|H<1>,1|O<2>}	60.5473	0.000	1	60.5473	0.000	1	60.5473	0.000	1	60.4307	0.063	8	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:4:2:1:	4:2:4:2:	C[3]-4:C[3]-4:	C[3]-4:C-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-4:O-2:	O[3](C[3]C[3]CH)(C[3]C[3]CO)	C[3](C[3]O[3]CO)(CC[6a]HN)(O[3]C[3])(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CF3)(OC)	O[3](C[3]C[3]CH)(C[3]C[3]CO)	C[3](C[3]O[3]CO)(CC[6a]HN)(O[3]C[3])(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CF3)(OC)	60.8374	0.000	1	60.8374	0.000	1	60.8374	0.000	1	60.8374	0.000	1	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:4:2:1:	4:2:4:4:	C[3]-4:C[3]-4:	C[3,5]-4:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-4:C-4:	O[3](C[3]C[3,5]C[3]H)(C[3]C[3]CC)	C[3](C[3,5]C[3,5]C[5]O[3])(C[3]O[3]CC)(O[3]C[3])(H)	C[3](C[3]C[3,5]O[3]H)(O[3]C[3])(CCCH)(CCHH)	O[3](C[3]C[3,5]C[3]H)(C[3]C[3]CC){1|O<2>,2|C<4>}	C[3](C[3,5]C[3,5]C[5]O[3])(C[3]O[3]CC)(O[3]C[3])(H){1|O<2>,4|C<4>}	C[3](C[3]C[3,5]O[3]H)(O[3]C[3])(CCCH)(CCHH){1|O<2>,2|C<4>}	60.6983	0.419	2	60.6983	0.176	2	60.6983	0.176	2	61.0023	0.119	49	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:4:2:1:	4:2:4:4:	C[3]-4:C[3]-4:	C[3]-4:C-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-4:C-4:	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CC)(CC[3,6]HO)(O[3]C[3])(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(CH3)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CC)(CC[3,6]HO)(O[3]C[3])(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(CH3)	60.7113	0.000	1	60.7113	0.000	1	60.9118	0.098	4	61.0023	0.119	49	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:4:2:1:	4:2:4:4:	C[3]-4:C[3]-4:	C[3]-4:C-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-4:C-4:	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CC)(CC[6a]HO)(O[3]C[3])(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(CHHO)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CC)(CC[6a]HO)(O[3]C[3])(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(CHHO)	60.8704	0.414	2	60.8704	0.171	2	60.9118	0.098	4	61.0023	0.119	49	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:4:2:1:	4:2:4:4:	C[3]-4:C[3]-4:	C[3]-4:C-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-4:C-4:	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CC)(CC[6a]HO)(O[3]C[3])(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CH3)2	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CC)(CC[6a]HO)(O[3]C[3])(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CH3)2	61.1952	0.000	1	61.1952	0.000	1	60.9118	0.098	4	61.0023	0.119	49	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:4:2:1:	4:2:4:4:	C[3]-4:C[3]-4:	C[5]-4:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-4:C-4:	O[3](C[3]C[3]C[5]H)(C[3]C[3]CC)	C[3](C[5]C[5]N[5]H)(C[3]O[3]CC)(O[3]C[3])(H)	C[3](C[3]C[5]O[3]H)(O[3]C[3])(CHHO)(CH3)	O[3](C[3]C[3]C[5]H)(C[3]C[3]CC){1|C<4>,1|H<1>,1|N<3>}	C[3](C[5]C[5]N[5]H)(C[3]O[3]CC)(O[3]C[3])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[3](C[3]C[5]O[3]H)(O[3]C[3])(CHHO)(CH3){1|C<4>,1|H<1>,1|N<3>}	61.9824	0.000	1	61.9824	0.000	1	61.0259	0.121	42	61.0023	0.119	49	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:4:2:1:	4:2:4:4:	C[3]-4:C[3]-4:	C[5]-4:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-4:C-4:	O[3](C[3]C[3]C[5]H)(C[3]C[3]CC)	C[3](C[5]C[5]O[5]H)(C[3]O[3]CC)(O[3]C[3])(H)	C[3](C[3]C[5]O[3]H)(O[3]C[3])(CCHH)(CH3)	O[3](C[3]C[3]C[5]H)(C[3]C[3]CC){1|C<4>,1|H<1>,1|O<2>}	C[3](C[5]C[5]O[5]H)(C[3]O[3]CC)(O[3]C[3])(H){1|C<3>,1|H<1>,2|C<4>}	C[3](C[3]C[5]O[3]H)(O[3]C[3])(CCHH)(CH3){1|C<4>,1|H<1>,1|O<2>}	61.0068	0.269	29	61.0083	0.087	39	61.0259	0.121	42	61.0023	0.119	49	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:4:2:1:	4:2:4:4:	C[3]-4:C[3]-4:	C[5]-4:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-4:C-4:	O[3](C[3]C[3]C[5]H)(C[3]C[3]CC)	C[3](C[5]C[5]O[5]H)(C[3]O[3]CC)(O[3]C[3])(H)	C[3](C[3]C[5]O[3]H)(O[3]C[3])(CCHH)(CH3)	O[3](C[3]C[3]C[5]H)(C[3]C[3]CC){1|C<4>,1|H<1>,1|O<2>}	C[3](C[5]C[5]O[5]H)(C[3]O[3]CC)(O[3]C[3])(H){1|C<4>,1|H<1>,2|C<3>}	C[3](C[3]C[5]O[3]H)(O[3]C[3])(CCHH)(CH3){1|C<4>,1|H<1>,1|O<2>}	61.0127	0.377	10	61.0083	0.087	39	61.0259	0.121	42	61.0023	0.119	49	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:4:2:1:	4:2:4:4:	C[3]-4:C[3]-4:	C[5]-4:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-4:C-4:	O[3](C[3]C[3]C[5]H)(C[3]C[3]CC)	C[3](C[5]C[5]O[5]H)(C[3]O[3]CC)(O[3]C[3])(H)	C[3](C[3]C[5]O[3]H)(O[3]C[3])(CC[5]HH)(CH3)	O[3](C[3]C[3]C[5]H)(C[3]C[3]CC){1|C<4>,1|H<1>,1|O<2>}	C[3](C[5]C[5]O[5]H)(C[3]O[3]CC)(O[3]C[3])(H){1|C<3>,1|H<1>,2|C<4>}	C[3](C[3]C[5]O[3]H)(O[3]C[3])(CC[5]HH)(CH3){1|C<4>,1|H<1>,1|O<2>}	61.4863	0.000	1	61.4863	0.000	1	61.0259	0.121	42	61.0023	0.119	49	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:4:2:1:	4:2:4:4:	C[3]-4:C[3]-4:	C[5]-4:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-4:C-4:	O[3](C[3]C[3]C[5]H)(C[3]C[3]CC)	C[3](C[5]C[5]O[5]O)(C[3]O[3]CC)(O[3]C[3])(H)	C[3](C[3]C[5]O[3]H)(O[3]C[3])(CH3)2	O[3](C[3]C[3]C[5]H)(C[3]C[3]CC){1|C<4>,2|O<2>}	C[3](C[5]C[5]O[5]O)(C[3]O[3]CC)(O[3]C[3])(H){2|C<4>,2|H<1>}	C[3](C[3]C[5]O[3]H)(O[3]C[3])(CH3)2{1|C<4>,2|O<2>}	60.2952	0.000	1	60.2952	0.000	1	61.0259	0.121	42	61.0023	0.119	49	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:4:2:1:	4:2:4:4:	C[3]-4:C[3]-4:	C[6,6]-4:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-4:C-4:	O[3](C[3]C[6,6]C[3]H)(C[3]C[3]CC)	C[3](C[6,6]C[3x6]2H)(C[3]O[3]CC)(O[3]C[3])(H)	C[3](C[3]C[6,6]O[3]H)(O[3]C[3])(CH3)2	O[3](C[3]C[6,6]C[3]H)(C[3]C[3]CC){1|H<1>,2|C<4>}	C[3](C[6,6]C[3x6]2H)(C[3]O[3]CC)(O[3]C[3])(H){1|H<1>,2|C<3>,3|C<4>}	C[3](C[3]C[6,6]O[3]H)(O[3]C[3])(CH3)2{1|H<1>,2|C<4>}	60.9804	0.000	1	60.9804	0.000	1	60.9804	0.000	1	61.0023	0.119	49	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:4:2:1:	4:4:2:1:	C[3]-4:C[3]-4:	C[3]-4:P-4:O[3]-2:H-1:	C[3]-4:P-4:O[3]-2:H-1:	O[3](C[3]C[3]HP)2	C[3](C[3]O[3]HP)(PC[6a]2Ru)(O[3]C[3])(H)	C[3](C[3]O[3]HP)(PC[6a]2Ru)(O[3]C[3])(H)	O[3](C[3]C[3]HP)2	C[3](C[3]O[3]HP)(PC[6a]2Ru)(O[3]C[3])(H)	C[3](C[3]O[3]HP)(PC[6a]2Ru)(O[3]C[3])(H)	61.6157	0.000	1	61.6157	0.000	1	61.6157	0.000	1	61.6157	0.000	1	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:4:2:3:	4:2:1:1:	C[3]-4:C[3]-4:	C[5]-4:C[3]-4:O[3]-2:C-3:	C[3]-4:O[3]-2:H-1:H-1:	O[3](C[3]C[3]C[5]C)(C[3]C[3]HH)	C[3](C[5]C[5,6]O[5]O)(C[3]O[3]HH)(O[3]C[3])(COO)	C[3](C[3]C[5]O[3]C)(O[3]C[3])(H)2	O[3](C[3]C[3]C[5]C)(C[3]C[3]HH){1|C<4>,2|O<2>}	C[3](C[5]C[5,6]O[5]O)(C[3]O[3]HH)(O[3]C[3])(COO){1|C<4>,1|N<3>,2|C<3>}	C[3](C[3]C[5]O[3]C)(O[3]C[3])(H)2{1|C<4>,2|O<2>}	61.7202	0.000	1	61.7202	0.000	1	61.7202	0.000	1	61.7202	0.000	1	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:4:2:3:	4:2:3:1:	C[3]-4:C[3]-4:	C-4:C[3]-4:O[3]-2:C-3:	C[3]-4:O[3]-2:C-3:H-1:	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](CC[5a]C[6a]H)(C[3]O[3]CH)(O[3]C[3])(CCO)	C[3](C[3]O[3]CC)(O[3]C[3])(CC[6a]O)(H)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](CC[5a]C[6a]H)(C[3]O[3]CH)(O[3]C[3])(CCO)	C[3](C[3]O[3]CC)(O[3]C[3])(CC[6a]O)(H)	61.6619	0.000	1	61.6619	0.000	1	61.6619	0.000	1	61.6619	0.000	1	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:4:2:3:	4:2:4:1:	C[3]-4:C[3]-4:	C[3]-4:C-4:O[3]-2:C-3:	C[3]-4:O[3]-2:C-4:H-1:	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CH)(CC[6a]CN)(O[3]C[3])(CNO)	C[3](C[3]O[3]CC)(O[3]C[3])(CH3)(H)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CH)(CC[6a]CN)(O[3]C[3])(CNO)	C[3](C[3]O[3]CC)(O[3]C[3])(CH3)(H)	61.0468	0.000	1	61.0468	0.000	1	61.0468	0.000	1	61.4058	0.258	2	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:4:2:3:	4:2:4:1:	C[3]-4:C[3]-4:	C[3]-4:S-4:O[3]-2:S-3:	C[3]-4:O[3]-2:C-4:H-1:	O[3](C[3]C[3]CH)(C[3]C[3]SS)	C[3](C[3]O[3]CH)(SC[6a]OO)(O[3]C[3])(SC[6a]O)	C[3](C[3]O[3]SS)(O[3]C[3])(CCCH)(H)	O[3](C[3]C[3]CH)(C[3]C[3]SS)	C[3](C[3]O[3]CH)(SC[6a]OO)(O[3]C[3])(SC[6a]O)	C[3](C[3]O[3]SS)(O[3]C[3])(CCCH)(H)	61.7648	0.000	1	61.7648	0.000	1	61.7648	0.000	1	61.4058	0.258	2	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:4:2:4:	4:2:1:1:	C[3]-4:C[3]-4:	C[3]-4:C[6]-4:O[3]-2:C-4:	C[3]-4:O[3]-2:H-1:H-1:	O[3](C[3]C[3]C[6]C)(C[3]C[3]HH)	C[3](C[3]O[3]HH)(C[6]C[6]2C)(O[3]C[3])(CCHH)	C[3](C[3]C[6]O[3]C)(O[3]C[3])(H)2	O[3](C[3]C[3]C[6]C)(C[3]C[3]HH){1|C<3>,2|C<4>}	C[3](C[3]O[3]HH)(C[6]C[6]2C)(O[3]C[3])(CCHH){2|C<4>,4|H<1>}	C[3](C[3]C[6]O[3]C)(O[3]C[3])(H)2{1|C<3>,2|C<4>}	61.5929	0.000	1	61.5929	0.000	1	61.0990	0.143	4	60.6963	0.200	11	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:4:2:4:	4:2:1:1:	C[3]-4:C[3]-4:	C[3]-4:C[6]-4:O[3]-2:C-4:	C[3]-4:O[3]-2:H-1:H-1:	O[3](C[3]C[3]C[6]C)(C[3]C[3]HH)	C[3](C[3]O[3]HH)(C[6]C[6]2H)(O[3]C[3])(CCHH)	C[3](C[3]C[6]O[3]C)(O[3]C[3])(H)2	O[3](C[3]C[3]C[6]C)(C[3]C[3]HH){1|H<1>,2|C<4>}	C[3](C[3]O[3]HH)(C[6]C[6]2H)(O[3]C[3])(CCHH){3|C<4>,3|H<1>}	C[3](C[3]C[6]O[3]C)(O[3]C[3])(H)2{1|H<1>,2|C<4>}	60.9344	0.227	3	60.9344	0.051	3	61.0990	0.143	4	60.6963	0.200	11	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:4:2:4:	4:2:1:1:	C[3]-4:C[3]-4:	C[5]-4:C[3]-4:O[3]-2:C-4:	C[3]-4:O[3]-2:H-1:H-1:	O[3](C[3]C[3]C[5]C)(C[3]C[3]HH)	C[3](C[5]C[5,6]C[5]H)(C[3]O[3]HH)(O[3]C[3])(CH3)	C[3](C[3]C[5]O[3]C)(O[3]C[3])(H)2	O[3](C[3]C[3]C[5]C)(C[3]C[3]HH){1|H<1>,2|C<4>}	C[3](C[5]C[5,6]C[5]H)(C[3]O[3]HH)(O[3]C[3])(CH3){3|C<4>,3|H<1>}	C[3](C[3]C[5]O[3]C)(O[3]C[3])(H)2{1|H<1>,2|C<4>}	60.6564	0.000	1	60.6564	0.000	1	60.3947	0.067	6	60.6963	0.200	11	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:4:2:4:	4:2:1:1:	C[3]-4:C[3]-4:	C[5]-4:C[3]-4:O[3]-2:C-4:	C[3]-4:O[3]-2:H-1:H-1:	O[3](C[3]C[3]C[5]C)(C[3]C[3]HH)	C[3](C[5]C[5]N[5]C)(C[3]O[3]HH)(O[3]C[3])(CH3)	C[3](C[3]C[5]O[3]C)(O[3]C[3])(H)2	O[3](C[3]C[3]C[5]C)(C[3]C[3]HH){1|N<3>,2|C<4>}	C[3](C[5]C[5]N[5]C)(C[3]O[3]HH)(O[3]C[3])(CH3){1|C<3>,1|N<2>,1|S<4>,2|H<1>}	C[3](C[3]C[5]O[3]C)(O[3]C[3])(H)2{1|N<3>,2|C<4>}	60.3925	0.388	2	60.3925	0.150	2	60.3947	0.067	6	60.6963	0.200	11	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:4:2:4:	4:2:1:1:	C[3]-4:C[3]-4:	C[5]-4:C[3]-4:O[3]-2:C-4:	C[3]-4:O[3]-2:H-1:H-1:	O[3](C[3]C[3]C[5]C)(C[3]C[3]HH)	C[3](C[5]C[5]O[5]C)(C[3]O[3]HH)(O[3]C[3])(CH3)	C[3](C[3]C[5]O[3]C)(O[3]C[3])(H)2	O[3](C[3]C[3]C[5]C)(C[3]C[3]HH){1|O<2>,2|C<4>}	C[3](C[5]C[5]O[5]C)(C[3]O[3]HH)(O[3]C[3])(CH3){1|C<3>,1|H<1>,2|C<4>}	C[3](C[3]C[5]O[3]C)(O[3]C[3])(H)2{1|O<2>,2|C<4>}	60.2496	0.273	2	60.2496	0.074	2	60.3947	0.067	6	60.6963	0.200	11	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:4:2:4:	4:2:1:1:	C[3]-4:C[3]-4:	C[5]-4:C[3]-4:O[3]-2:C-4:	C[3]-4:O[3]-2:H-1:H-1:	O[3](C[3]C[3]C[5]C)(C[3]C[3]HH)	C[3](C[5]C[5]O[5]H)(C[3]O[3]HH)(O[3]C[3])(CH3)	C[3](C[3]C[5]O[3]C)(O[3]C[3])(H)2	O[3](C[3]C[3]C[5]C)(C[3]C[3]HH){1|C<4>,1|H<1>,1|O<2>}	C[3](C[5]C[5]O[5]H)(C[3]O[3]HH)(O[3]C[3])(CH3){1|C<3>,1|N<3>,2|C<4>}	C[3](C[3]C[5]O[3]C)(O[3]C[3])(H)2{1|C<4>,1|H<1>,1|O<2>}	60.4278	0.000	1	60.4278	0.000	1	60.3947	0.067	6	60.6963	0.200	11	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:4:2:4:	4:2:1:1:	C[3]-4:C[3]-4:	C[6]-4:C[3]-4:O[3]-2:C-4:	C[3]-4:O[3]-2:H-1:H-1:	O[3](C[3]C[3]C[6]C)(C[3]C[3]HH)	C[3](C[6]C[5,6]C[6]H)(C[3]O[3]HH)(O[3]C[3])(CH3)	C[3](C[3]C[6]O[3]C)(O[3]C[3])(H)2	O[3](C[3]C[3]C[6]C)(C[3]C[3]HH){1|H<1>,2|C<4>}	C[3](C[6]C[5,6]C[6]H)(C[3]O[3]HH)(O[3]C[3])(CH3){1|O<2>,2|H<1>,3|C<4>}	C[3](C[3]C[6]O[3]C)(O[3]C[3])(H)2{1|H<1>,2|C<4>}	60.8944	0.000	1	60.8944	0.000	1	60.8944	0.000	1	60.6963	0.200	11	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:4:2:4:	4:2:4:1:	C[3]-4:C[3]-4:	C[3]-4:C-4:O[3]-2:C-4:	C[3]-4:O[3]-2:C-4:H-1:	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CH)(CC[6a]HH)(O[3]C[3])(CH3)	C[3](C[3]O[3]CC)(O[3]C[3])(CCHH)(H)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CH)(CC[6a]HH)(O[3]C[3])(CH3)	C[3](C[3]O[3]CC)(O[3]C[3])(CCHH)(H)	61.3177	0.006	2	61.3177	0.000	2	61.3177	0.000	2	61.0471	0.537	11	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:4:2:4:	4:2:4:1:	C[3]-4:C[3]-4:	C[3]-4:C[6]-4:O[3]-2:C-4:	C[3]-4:O[3]-2:C-4:H-1:	O[3](C[3]C[3]C[6]C)(C[3]C[3]CH)	C[3](C[3]O[3]CH)(C[6]C[6]2H)(O[3]C[3])(CH3)	C[3](C[3]C[6]O[3]C)(O[3]C[3])(CCHH)(H)	O[3](C[3]C[3]C[6]C)(C[3]C[3]CH){1|H<1>,2|C<4>}	C[3](C[3]O[3]CH)(C[6]C[6]2H)(O[3]C[3])(CH3){1|C<3>,2|C<4>,3|H<1>}	C[3](C[3]C[6]O[3]C)(O[3]C[3])(CCHH)(H){1|H<1>,2|C<4>}	60.0911	0.000	1	60.4233	0.140	4	61.0012	0.739	8	61.0471	0.537	11	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:4:2:4:	4:2:4:1:	C[3]-4:C[3]-4:	C[3]-4:C[6]-4:O[3]-2:C-4:	C[3]-4:O[3]-2:C-4:H-1:	O[3](C[3]C[3]C[6]C)(C[3]C[3]CH)	C[3](C[3]O[3]CH)(C[6]C[6]2H)(O[3]C[3])(CH3)	C[3](C[3]C[6]O[3]C)(O[3]C[3])(CCHH)(H)	O[3](C[3]C[3]C[6]C)(C[3]C[3]CH){1|H<1>,2|C<4>}	C[3](C[3]O[3]CH)(C[6]C[6]2H)(O[3]C[3])(CH3){3|C<4>,3|H<1>}	C[3](C[3]C[6]O[3]C)(O[3]C[3])(CCHH)(H){1|H<1>,2|C<4>}	60.5341	0.369	3	60.4233	0.140	4	61.0012	0.739	8	61.0471	0.537	11	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:4:2:4:	4:2:4:1:	C[3]-4:C[3]-4:	C[3]-4:C[6]-4:O[3]-2:C-4:	C[3]-4:O[3]-2:C-4:H-1:	O[3](C[3]C[3]C[6]C)(C[3]C[3]CH)	C[3](C[3]O[3]CH)(C[6]C[6]2H)(O[3]C[3])(CH3)	C[3](C[3]C[6]O[3]C)(O[3]C[3])(CH3)(H)	O[3](C[3]C[3]C[6]C)(C[3]C[3]CH){1|H<1>,2|C<4>}	C[3](C[3]O[3]CH)(C[6]C[6]2H)(O[3]C[3])(CH3){2|C<4>,2|H<1>,2|O<2>}	C[3](C[3]C[6]O[3]C)(O[3]C[3])(CH3)(H){1|H<1>,2|C<4>}	62.8007	0.000	1	62.8007	0.000	1	61.0012	0.739	8	61.0471	0.537	11	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:4:2:4:	4:2:4:1:	C[3]-4:C[3]-4:	C[3]-4:C[6]-4:O[3]-2:C-4:	C[3]-4:O[3]-2:C-4:H-1:	O[3](C[3]C[3]C[6]C)(C[3]C[3]CH)	C[3](C[3]O[3]CH)(C[6]C[6]2O)(O[3]C[3])(CH3)	C[3](C[3]C[6]O[3]C)(O[3]C[3])(CCCH)(H)	O[3](C[3]C[3]C[6]C)(C[3]C[3]CH){1|C<3>,1|C<4>,1|O<2>}	C[3](C[3]O[3]CH)(C[6]C[6]2O)(O[3]C[3])(CH3){1|H<1>,2|C<3>,2|C<4>}	C[3](C[3]C[6]O[3]C)(O[3]C[3])(CCCH)(H){1|C<3>,1|C<4>,1|O<2>}	61.1719	0.215	3	61.1719	0.046	3	61.0012	0.739	8	61.0471	0.537	11	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:4:2:4:	4:2:4:1:	C[3]-4:C[3]-4:	C[6]-4:C[3]-4:O[3]-2:C-4:	C[3]-4:O[3]-2:C-4:H-1:	O[3](C[3]C[3]C[6]C)(C[3]C[3]CH)	C[3](C[6]C[6]O[6]H)(C[3]O[3]CH)(O[3]C[3])(CH3)	C[3](C[3]C[6]O[3]C)(O[3]C[3])(CHHO)(H)	O[3](C[3]C[3]C[6]C)(C[3]C[3]CH){1|C<4>,1|H<1>,1|O<2>}	C[3](C[6]C[6]O[6]H)(C[3]O[3]CH)(O[3]C[3])(CH3){2|C<4>,2|H<1>}	C[3](C[3]C[6]O[3]C)(O[3]C[3])(CHHO)(H){1|C<4>,1|H<1>,1|O<2>}	60.8725	0.000	1	60.8725	0.000	1	60.8725	0.000	1	61.0471	0.537	11	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:4:2:4:	4:2:4:2:	C[3]-4:C[3]-4:	C[3]-4:C-4:O[3]-2:C-4:	C[3]-4:O[3]-2:C-4:C-2:	O[3](C[3]C[3]CC)2	C[3](C[3]O[3]CC)(CC[6a]2O)(O[3]C[3])(CCHH)	C[3](C[3]O[3]CC)(O[3]C[3])(CF3)(CC)	O[3](C[3]C[3]CC)2	C[3](C[3]O[3]CC)(CC[6a]2O)(O[3]C[3])(CCHH)	C[3](C[3]O[3]CC)(O[3]C[3])(CF3)(CC)	63.1313	0.000	1	63.1313	0.000	1	63.1313	0.000	1	63.1313	0.000	1	61.2362	0.610	362	61.0332	0.538	986
962	486	486	3:SP3_SP3_SP3	O[3]	C[3]	C[3]	4:4:	4:4:2:4:	4:2:4:3:	C[3]-4:C[3]-4:	C[3]-4:C-4:O[3]-2:C-4:	C[3]-4:O[3]-2:C-4:C-3:	O[3](C[3]C[3]CC)2	C[3](C[3]O[3]CC)(CC[6a]2O)(O[3]C[3])(CCHH)	C[3](C[3]O[3]CC)(O[3]C[3])(CF3)(CCH)	O[3](C[3]C[3]CC)2	C[3](C[3]O[3]CC)(CC[6a]2O)(O[3]C[3])(CCHH)	C[3](C[3]O[3]CC)(O[3]C[3])(CF3)(CCH)	63.5187	0.000	1	63.5187	0.000	1	63.5187	0.000	1	63.5187	0.000	1	61.2362	0.610	362	61.0332	0.538	986
962	486	872	3:SP3_SP3_SP3	O[3]	C[3,6,6]	Si[3,5]	4:4:	4:4:4:2:	4:2:4:4:	C[3,6,6]-4:Si[3,5]-4:	Si[3,5]-4:C[3x6]-4:C[3x6]-4:O[3]-2:	C[3,6,6]-4:O[3]-2:C[5]-4:C[5]-4:	O[3](C[3,6,6]Si[3,5]C[3x6]2)(Si[3,5]C[3,6,6]C[5]2)	C[3,6,6](Si[3,5]C[5]2O[3])(C[3x6]C[6,6]2H)2(O[3]Si[3,5])	Si[3,5](C[3,6,6]C[3x6]2O[3])(O[3]C[3,6,6])(C[5]C[5]Si2)2	O[3](C[3,6,6]Si[3,5]C[3x6]2)(Si[3,5]C[3,6,6]C[5]2){4|Si<4>,2|H<1>,6|C<4>}	C[3,6,6](Si[3,5]C[5]2O[3])(C[3x6]C[6,6]2H)2(O[3]Si[3,5]){4|Si<4>,4|C<4>,8|H<1>}	Si[3,5](C[3,6,6]C[3x6]2O[3])(O[3]C[3,6,6])(C[5]C[5]Si2)2{4|C<4>,6|H<1>}	70.7150	0.000	1	70.7150	0.000	1	70.7150	0.000	1	70.7150	0.000	1	70.7150	0.000	1	70.7150	0.000	1
962	486	881	3:SP3_SP3_SPD5	O[3]	C[3,6,6]	Si[3,4]	5:4:	5:4:4:2:	4:2:3:3:1:	Si[3,4]-5:C[3,6,6]-4:	Si[3,4]-5:C[3x6]-4:C[3x6]-4:O[3]-2:	C[3,6,6]-4:O[3]-2:N[4]-3:N[4]-3:Cl-1:	O[3](Si[3,4]C[3,6,6]N[4]2Cl)(C[3,6,6]Si[3,4]C[3x6]2)	C[3,6,6](Si[3,4]N[4]2O[3]Cl)(C[3x6]C[6,6]2H)2(O[3]Si[3,4])	Si[3,4](C[3,6,6]C[3x6]2O[3])(O[3]C[3,6,6])(N[4]C[4]C)2(Cl)	O[3](Si[3,4]C[3,6,6]N[4]2Cl)(C[3,6,6]Si[3,4]C[3x6]2){1|C<3>,2|H<1>,6|C<4>}	C[3,6,6](Si[3,4]N[4]2O[3]Cl)(C[3x6]C[6,6]2H)2(O[3]Si[3,4]){1|C<3>,4|C<4>,8|H<1>}	Si[3,4](C[3,6,6]C[3x6]2O[3])(O[3]C[3,6,6])(N[4]C[4]C)2(Cl){1|C<3>,2|H<1>,4|C<4>}	70.5203	0.000	1	70.5203	0.000	1	70.5203	0.000	1	70.5203	0.000	1	70.5203	0.000	1	70.5203	0.000	1
962	486	902	3:SP2_SP2_SP3	O[3]	C[3,6]	C[3,6]	4:3:	3:4:2:4:	4:4:2:	C[3,6]-4:C[3,6]-3:	C[3,6]-3:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[6]-4:O[3]-2:	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6])	C[3,6](C[3,6]C[6]O[3])(C[6]C[6]HH)(O[3]C[3,6])(CH3)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]CH)(O[3]C[3,6])	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]){3|C<4>,3|H<1>}	C[3,6](C[3,6]C[6]O[3])(C[6]C[6]HH)(O[3]C[3,6])(CH3){2|C<4>,3|H<1>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]CH)(O[3]C[3,6]){2|C<4>,3|H<1>}	60.7329	0.000	1	60.7329	0.000	1	60.7329	0.000	1	60.7329	0.000	1	60.7329	0.000	1	61.4892	2.664	4
962	486	902	3:SP2_SP2_SP3	O[3]	C[3,6]	C[3]	4:3:	3:3:3:2:	4:3:2:	C[3,6]-4:C[3]-3:	C[6,6a]-3:C[3]-3:C[6]-3:O[3]-2:	C[3,6]-4:C[6a]-3:O[3]-2:	O[3](C[3,6]C[6,6a]C[3]C[6])(C[3]C[3,6]C[6a])	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[6a]O[3])(C[6]N[6]O)(O[3]C[3])	C[3](C[3,6]C[6,6a]C[6]O[3])(C[6a]C[6a]2)(O[3]C[3,6])	O[3](C[3,6]C[6,6a]C[3]C[6])(C[3]C[3,6]C[6a]){1|N<3>,1|O<1>,4|C<3>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[6a]O[3])(C[6]N[6]O)(O[3]C[3]){1|H<1>,6|C<3>}	C[3](C[3,6]C[6,6a]C[6]O[3])(C[6a]C[6a]2)(O[3]C[3,6]){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	63.9367	0.000	1	63.9367	0.000	1	63.9367	0.000	1	63.9367	0.000	1	62.2951	5.390	2	61.4892	2.664	4
962	486	902	3:SP2_SP2_SP3	O[3]	C[3,6]	C[3]	4:3:	4:4:3:2:	4:2:1:	C[3,6]-4:C[3]-3:	C[6]-4:C[6]-4:C[3]-3:O[3]-2:	C[3,6]-4:O[3]-2:H-1:	O[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]H)	C[3,6](C[6]C[6]CH)(C[6]C[6]HO)(C[3]O[3]H)(O[3]C[3])	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(H)	O[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]H){1|O<2>,2|H<1>,3|C<4>}	C[3,6](C[6]C[6]CH)(C[6]C[6]HO)(C[3]O[3]H)(O[3]C[3]){1|C<3>,2|C<4>,2|H<1>}	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(H){1|O<2>,2|H<1>,3|C<4>}	60.6534	0.000	1	60.6534	0.000	1	60.6534	0.000	1	60.6534	0.000	1	62.2951	5.390	2	61.4892	2.664	4
962	486	902	3:SP2_SP2_SP3	O[3]	C[3]	C[3]	4:3:	3:2:4:1:	4:3:2:	C[3]-4:C[3]-3:	C[3]-3:O[3]-2:C-4:Br-1:	C[3]-4:C-3:O[3]-2:	O[3](C[3]C[3]BrC)(C[3]C[3]C)	C[3](C[3]O[3]C)(O[3]C[3])(CC3)(Br)	C[3](C[3]O[3]BrC)(CC[3x6]H)(O[3]C[3])	O[3](C[3]C[3]BrC)(C[3]C[3]C)	C[3](C[3]O[3]C)(O[3]C[3])(CC3)(Br)	C[3](C[3]O[3]BrC)(CC[3x6]H)(O[3]C[3])	60.6339	0.000	1	60.6339	0.000	1	60.6339	0.000	1	60.6339	0.000	1	60.6339	0.000	1	61.4892	2.664	4
962	486	962	3:SP3_SP3_SP3	O[3]	C[3]	O[3]	4:2:	2:2:3:2:	4:2:	C[3]-4:O[3]-2:	O[3]-2:O[3]-2:C-3:O-2:	C[3]-4:O[3]-2:	O[3](C[3]O[3]CO)(O[3]C[3])	C[3](O[3]O[3])2(CCC)(OC)	O[3](C[3]O[3]CO)(O[3]C[3])	O[3](C[3]O[3]CO)(O[3]C[3])	C[3](O[3]O[3])2(CCC)(OC)	O[3](C[3]O[3]CO)(O[3]C[3])	69.3718	0.000	1	69.3718	0.000	1	69.3718	0.000	1	69.3718	0.000	1	69.3718	0.000	1	69.3718	0.000	1
962	486	968	0:SP3_SP-NON_SP3	O[3]	C[3]	H[3]	4:2:	2:2:4:3:	4:2:	C[3]-4:H[3]-2:	H[3]-2:O[3]-2:N-4:C-3:	C[3]-4:O[3]-2:	O[3](C[3]H[3]CN)(H[3]C[3])	C[3](H[3]O[3])(O[3]H[3])(NC[3]3)(CCH)	H[3](C[3]O[3]CN)(O[3]C[3])	O[3](C[3]H[3]CN)(H[3]C[3])	C[3](H[3]O[3])(O[3]H[3])(NC[3]3)(CCH)	H[3](C[3]O[3]CN)(O[3]C[3])	44.6641	0.000	1	44.6641	0.000	1	44.6641	0.000	1	44.6641	0.000	1	44.6641	0.000	1	44.6641	0.000	1
962	654	881	3:SP3_SP3_SPD5	O[3]	B[3,3]	Si[3,3]	4:5:	5:2:2:3:	4:2:2:4:4:	B[3,3]-4:Si[3,3]-5:	Si[3,3]-5:O[3]-2:O[3]-2:N[6]-3:	B[3,3]-4:O[3]-2:O[3]-2:Si-4:Si-4:	O[3](B[3,3]Si[3,3]N[6]O[3])(Si[3,3]B[3,3]O[3]Si2)	B[3,3](Si[3,3]O[3]2Si2)(O[3]Si[3,3])2(N[6]C[6]2)	Si[3,3](B[3,3]N[6]O[3]2)(O[3]B[3,3])2(SiC3)2	O[3](B[3,3]Si[3,3]N[6]O[3])(Si[3,3]B[3,3]O[3]Si2){2|C<4>}	B[3,3](Si[3,3]O[3]2Si2)(O[3]Si[3,3])2(N[6]C[6]2){6|C<4>}	Si[3,3](B[3,3]N[6]O[3]2)(O[3]B[3,3])2(SiC3)2{2|C<4>}	86.3856	0.288	2	86.3856	0.083	2	86.3856	0.083	2	86.3856	0.083	2	86.3856	0.083	2	86.3856	0.083	2
962	860	962	3:SP3_SP-NON_SP3	O[3]	Cl[3]	O[3]	4:2:	2:2:1:1:	4:2:	Cl[3]-4:O[3]-2:	O[3]-2:O[3]-2:O-1:O-1:	Cl[3]-4:O[3]-2:	O[3](Cl[3]O[3]OO)(O[3]Cl[3])	Cl[3](O[3]O[3])2(O)2	O[3](Cl[3]O[3]OO)(O[3]Cl[3])	O[3](Cl[3]O[3]OO)(O[3]Cl[3])	Cl[3](O[3]O[3])2(O)2	O[3](Cl[3]O[3]OO)(O[3]Cl[3])	52.3715	4.527	3	52.3715	20.494	3	52.3715	20.494	3	52.3715	20.494	3	52.3715	20.494	3	52.3715	20.494	3
962	872	881	3:SP3_SP3_SPD5	O[3]	Si[3,6]	Si[3,4]	5:4:	5:4:2:2:	4:3:2:3:3:	Si[3,4]-5:Si[3,6]-4:	Si[3,4]-5:Si[6]-4:O[3]-2:O[6]-2:	Si[3,6]-4:C[6a]-3:O[3]-2:N[4]-3:N[4]-3:	O[3](Si[3,4]Si[3,6]C[6a]N[4]2)(Si[3,6]Si[3,4]Si[6]O[6])	Si[3,6](Si[3,4]C[6a]N[4]2O[3])(Si[6]C[6a]O[6]N)(O[3]Si[3,4])(O[6]Si[6])	Si[3,4](Si[3,6]Si[6]O[3]O[6])(C[6a]C[6,6a]C[6a])(O[3]Si[3,6])(N[4]C[4]C)2	O[3](Si[3,4]Si[3,6]C[6a]N[4]2)(Si[3,6]Si[3,4]Si[6]O[6]){1|Si<4>,1|N<3>,1|O<2>,2|C<4>,4|C<3>}	Si[3,6](Si[3,4]C[6a]N[4]2O[3])(Si[6]C[6a]O[6]N)(O[3]Si[3,4])(O[6]Si[6]){1|Si<4>,1|N<3>,2|C<4>,6|C<3>}	Si[3,4](Si[3,6]Si[6]O[3]O[6])(C[6a]C[6,6a]C[6a])(O[3]Si[3,6])(N[4]C[4]C)2{1|Si<4>,1|H<1>,1|N<3>,2|O<2>,4|C<3>}	84.7046	0.000	1	84.7046	0.000	1	84.7046	0.000	1	84.7046	0.000	1	84.7046	0.000	1	84.7046	0.000	1
962	877	877	3:SP3_SPD6_SPD6	O[3]	Si[3,3,4,5]	Si[3,3,4,5]	6:6:	6:3:2:2:3:3:	6:3:2:2:3:3:	Si[3,3,4,5]-6:Si[3,3,4,5]-6:	Si[3,3,4,5]-6:C[5,6a]-3:O[3]-2:O[3]-2:N[4]-3:N[4]-3:	Si[3,3,4,5]-6:C[5,6a]-3:O[3]-2:O[3]-2:N[4]-3:N[4]-3:	O[3](Si[3,3,4,5]Si[3,3,4,5]C[5,6a]N[4]2O[3])2	Si[3,3,4,5](Si[3,3,4,5]C[5,6a]N[4]2O[3]2)(C[5,6a]C[5,6a,6a]C[6a])(O[3]Si[3,3,4,5])2(N[4]C[4]C)2	Si[3,3,4,5](Si[3,3,4,5]C[5,6a]N[4]2O[3]2)(C[5,6a]C[5,6a,6a]C[6a])(O[3]Si[3,3,4,5])2(N[4]C[4]C)2	O[3](Si[3,3,4,5]Si[3,3,4,5]C[5,6a]N[4]2O[3])2{4|C<4>,5|C<3>}	Si[3,3,4,5](Si[3,3,4,5]C[5,6a]N[4]2O[3]2)(C[5,6a]C[5,6a,6a]C[6a])(O[3]Si[3,3,4,5])2(N[4]C[4]C)2{1|H<1>,2|C<4>,5|C<3>}	Si[3,3,4,5](Si[3,3,4,5]C[5,6a]N[4]2O[3]2)(C[5,6a]C[5,6a,6a]C[6a])(O[3]Si[3,3,4,5])2(N[4]C[4]C)2{1|H<1>,2|C<4>,5|C<3>}	91.6959	0.000	1	91.6959	0.000	1	91.6959	0.000	1	91.6959	0.000	1	91.6959	0.000	1	91.6959	0.000	1
962	881	881	3:SP3_SPD5_SPD5	O[3]	Si[3,3,5]	Si[3,3,5]	5:5:	5:2:2:3:3:	5:2:2:3:3:	Si[3,3,5]-5:Si[3,3,5]-5:	Si[3,3,5]-5:O[3]-2:O[3]-2:N[5]-3:N[5]-3:	Si[3,3,5]-5:O[3]-2:O[3]-2:N[5]-3:N[5]-3:	O[3](Si[3,3,5]Si[3,3,5]N[5]2O[3])2	Si[3,3,5](Si[3,3,5]N[5]2O[3]2)(O[3]Si[3,3,5])2(N[5]C[5]C)2	Si[3,3,5](Si[3,3,5]N[5]2O[3]2)(O[3]Si[3,3,5])2(N[5]C[5]C)2	O[3](Si[3,3,5]Si[3,3,5]N[5]2O[3])2{8|C<4>}	Si[3,3,5](Si[3,3,5]N[5]2O[3]2)(O[3]Si[3,3,5])2(N[5]C[5]C)2{2|H<1>,6|C<4>}	Si[3,3,5](Si[3,3,5]N[5]2O[3]2)(O[3]Si[3,3,5])2(N[5]C[5]C)2{2|H<1>,6|C<4>}	92.9253	0.000	1	92.9253	0.000	1	92.9253	0.000	1	92.9253	0.000	1	92.9253	0.000	1	91.9181	0.975	5
962	881	881	3:SP3_SPD5_SPD5	O[3]	Si[3,3]	Si[3,3]	5:5:	5:2:2:2:2:	5:2:2:2:2:	Si[3,3]-5:Si[3,3]-5:	Si[3,3]-5:O[3]-2:O[3]-2:O-2:O-2:	Si[3,3]-5:O[3]-2:O[3]-2:O-2:O-2:	O[3](Si[3,3]Si[3,3]O[3]OO)2	Si[3,3](Si[3,3]O[3]2OO)(O[3]Si[3,3])2(OSi)(ON)	Si[3,3](Si[3,3]O[3]2OO)(O[3]Si[3,3])2(OSi)(ON)	O[3](Si[3,3]Si[3,3]O[3]OO)2	Si[3,3](Si[3,3]O[3]2OO)(O[3]Si[3,3])2(OSi)(ON)	Si[3,3](Si[3,3]O[3]2OO)(O[3]Si[3,3])2(OSi)(ON)	90.9205	0.000	1	90.9205	0.000	1	90.9205	0.000	1	90.9205	0.000	1	91.6663	0.877	4	91.9181	0.975	5
962	881	881	3:SP3_SPD5_SPD5	O[3]	Si[3,3]	Si[3,3]	5:5:	5:2:2:3:3:	5:2:2:3:3:	Si[3,3]-5:Si[3,3]-5:	Si[3,3]-5:O[3]-2:O[3]-2:N-3:N-3:	Si[3,3]-5:O[3]-2:O[3]-2:N-3:N-3:	O[3](Si[3,3]Si[3,3]O[3]NN)2	Si[3,3](Si[3,3]O[3]2NN)(O[3]Si[3,3])2(NC[6a]C)(NCC)	Si[3,3](Si[3,3]O[3]2NN)(O[3]Si[3,3])2(NC[6a]C)(NCC)	O[3](Si[3,3]Si[3,3]O[3]NN)2	Si[3,3](Si[3,3]O[3]2NN)(O[3]Si[3,3])2(NC[6a]C)(NCC)	Si[3,3](Si[3,3]O[3]2NN)(O[3]Si[3,3])2(NC[6a]C)(NCC)	93.0349	0.000	1	93.0349	0.000	1	93.0349	0.000	1	93.0349	0.000	1	91.6663	0.877	4	91.9181	0.975	5
962	881	881	3:SP3_SPD5_SPD5	O[3]	Si[3,3]	Si[3,3]	5:5:	5:2:2:4:3:	5:2:2:4:3:	Si[3,3]-5:Si[3,3]-5:	Si[3,3]-5:O[3]-2:O[3]-2:C[5]-4:N-3:	Si[3,3]-5:O[3]-2:O[3]-2:C[5]-4:N-3:	O[3](Si[3,3]Si[3,3]C[5]O[3]N)2	Si[3,3](Si[3,3]C[5]O[3]2N)(O[3]Si[3,3])2(C[5]C[5]2C)(NSi2)	Si[3,3](Si[3,3]C[5]O[3]2N)(O[3]Si[3,3])2(C[5]C[5]2C)(NSi2)	O[3](Si[3,3]Si[3,3]C[5]O[3]N)2{2|C<4>,4|C<3>}	Si[3,3](Si[3,3]C[5]O[3]2N)(O[3]Si[3,3])2(C[5]C[5]2C)(NSi2){3|C<4>,4|C<3>}	Si[3,3](Si[3,3]C[5]O[3]2N)(O[3]Si[3,3])2(C[5]C[5]2C)(NSi2){3|C<4>,4|C<3>}	91.3550	0.090	2	91.3550	0.008	2	91.3550	0.008	2	91.3550	0.008	2	91.6663	0.877	4	91.9181	0.975	5
962	881	962	3:SP3_SP3_SPD5	O[3]	Si[3,6]	O[3]	5:2:	3:3:3:2:2:	5:2:	Si[3,6]-5:O[3]-2:	N[6]-3:N[6]-3:C[5]-3:O[3]-2:O[3]-2:	Si[3,6]-5:O[3]-2:	O[3](Si[3,6]C[5]N[6]2O[3])(O[3]Si[3,6])	Si[3,6](N[6]C[6a]C[6])2(C[5]N[5]2)(O[3]O[3])2	O[3](Si[3,6]C[5]N[6]2O[3])(O[3]Si[3,6])	O[3](Si[3,6]C[5]N[6]2O[3])(O[3]Si[3,6]){2|N<3>,4|C<3>}	Si[3,6](N[6]C[6a]C[6])2(C[5]N[5]2)(O[3]O[3])2{3|C<4>,8|C<3>}	O[3](Si[3,6]C[5]N[6]2O[3])(O[3]Si[3,6]){2|N<3>,4|C<3>}	62.7245	0.500	2	62.7245	0.250	2	62.7245	0.250	2	62.7245	0.250	2	62.7245	0.250	2	62.7245	0.250	2
962	902	902	3:SP2_SP2_SP2	O[3]	C[3]	C[3]	3:3:	3:2:4:	3:2:4:	C[3]-3:C[3]-3:	C[3]-3:O[3]-2:N-4:	C[3]-3:O[3]-2:C-4:	O[3](C[3]C[3]C)(C[3]C[3]N)	C[3](C[3]O[3]C)(O[3]C[3])(NC[3]3)	C[3](C[3]O[3]N)(O[3]C[3])(CH3)	O[3](C[3]C[3]C)(C[3]C[3]N)	C[3](C[3]O[3]C)(O[3]C[3])(NC[3]3)	C[3](C[3]O[3]N)(O[3]C[3])(CH3)	60.2001	0.000	1	60.2001	0.000	1	60.2001	0.000	1	60.2001	0.000	1	60.2001	0.000	1	60.2001	0.000	1
962	926	962	3:SP3_SP3_SPD8	O[3]	Cl[3]	O[3]	8:2:	2:2:1:1:1:1:1:1:	8:2:	Cl[3]-8:O[3]-2:	O[3]-2:O[3]-2:O-1:O-1:O-1:O-1:O-1:O-1:	Cl[3]-8:O[3]-2:	O[3](Cl[3]O[3]O6)(O[3]Cl[3])	Cl[3](O[3]O[3])2(O)6	O[3](Cl[3]O[3]O6)(O[3]Cl[3])	O[3](Cl[3]O[3]O6)(O[3]Cl[3])	Cl[3](O[3]O[3])2(O)6	O[3](Cl[3]O[3]O6)(O[3]Cl[3])	70.0715	8.458	2	70.0715	71.530	2	70.0715	71.530	2	70.0715	71.530	2	70.0715	71.530	2	70.0715	71.530	2
962	958	958	3:SP3_SPD6_SPD6	O[3]	Cl[3,3]	Cl[3,3]	6:6:	6:2:2:1:1:1:	6:2:2:1:1:1:	Cl[3,3]-6:Cl[3,3]-6:	Cl[3,3]-6:O[3]-2:O[3]-2:O-1:O-1:O-1:	Cl[3,3]-6:O[3]-2:O[3]-2:O-1:O-1:O-1:	O[3](Cl[3,3]Cl[3,3]O[3]O3)2	Cl[3,3](Cl[3,3]O[3]2O3)(O[3]Cl[3,3])2(O)3	Cl[3,3](Cl[3,3]O[3]2O3)(O[3]Cl[3,3])2(O)3	O[3](Cl[3,3]Cl[3,3]O[3]O3)2	Cl[3,3](Cl[3,3]O[3]2O3)(O[3]Cl[3,3])2(O)3	Cl[3,3](Cl[3,3]O[3]2O3)(O[3]Cl[3,3])2(O)3	93.2993	0.000	1	93.2993	0.000	1	93.2993	0.000	1	93.2993	0.000	1	93.2993	0.000	1	93.2993	0.000	1
962	958	962	3:SP3_SP3_SPD6	O[3]	Cl[3]	O[3]	6:2:	2:2:1:1:1:1:	6:2:	Cl[3]-6:O[3]-2:	O[3]-2:O[3]-2:O-1:O-1:O-1:O-1:	Cl[3]-6:O[3]-2:	O[3](Cl[3]O[3]O4)(O[3]Cl[3])	Cl[3](O[3]O[3])2(O)4	O[3](Cl[3]O[3]O4)(O[3]Cl[3])	O[3](Cl[3]O[3]O4)(O[3]Cl[3])	Cl[3](O[3]O[3])2(O)4	O[3](Cl[3]O[3]O4)(O[3]Cl[3])	58.4612	3.021	2	58.4612	9.128	2	58.4612	9.128	2	58.4612	9.128	2	58.4612	9.128	2	58.4612	9.128	2
962	962	962	3:SP3_SP3_SP3	O[3]	O[3]	O[3]	2:2:	2:2:	2:2:	O[3]-2:O[3]-2:	O[3]-2:O[3]-2:	O[3]-2:O[3]-2:	O[3](O[3]O[3])2	O[3](O[3]O[3])2	O[3](O[3]O[3])2	O[3](O[3]O[3])2	O[3](O[3]O[3])2	O[3](O[3]O[3])2	60.0000	0.000	2	60.0000	0.000	2	60.0000	0.000	2	60.0000	0.000	2	60.0000	0.000	2	60.0000	0.000	2
962	962	986	3:SP3_SP3_SPD7	O[3]	O[3]	P[3x3]	7:2:	7:2:	2:2:2:2:2:2:1:	P[3x3]-7:O[3]-2:	P[3x3]-7:O[3]-2:	O[3]-2:O[3]-2:O[3]-2:O[3]-2:O[3]-2:O[3]-2:O-1:	O[3](P[3x3]O[3]5O)(O[3]P[3x3])	O[3](P[3x3]O[3]5O)(O[3]P[3x3])	P[3x3](O[3]O[3])6(O)	O[3](P[3x3]O[3]5O)(O[3]P[3x3])	O[3](P[3x3]O[3]5O)(O[3]P[3x3])	P[3x3](O[3]O[3])6(O)	65.5464	1.752	6	65.5464	3.068	6	65.5464	3.068	6	65.5464	3.068	6	65.5464	3.068	6	65.5464	3.068	6
962	968	968	0:SP3_SP-NON_SP-NON	O[3]	H[3]	H[3]	2:2:	2:2:	2:2:	H[3]-2:H[3]-2:	H[3]-2:O[3]-2:	H[3]-2:O[3]-2:	O[3](H[3]H[3])2	H[3](H[3]O[3])(O[3]H[3])	H[3](H[3]O[3])(O[3]H[3])	O[3](H[3]H[3])2	H[3](H[3]O[3])(O[3]H[3])	H[3](H[3]O[3])(O[3]H[3])	42.5944	4.091	9	42.5944	16.739	9	42.5944	16.739	9	42.5944	16.739	9	42.5944	16.739	9	42.5944	16.739	9
963	486	486	3:SP2_SP3_SP3	Se[3]	C[3,6,6]	C[3,6,6]	4:4:4:	4:4:4:3:	4:4:4:3:	C[3,6,6]-4:C[3,6,6]-4:C-4:	C[3,6,6]-4:C[3x6]-4:C[3x6]-4:Se[3]-3:	C[3,6,6]-4:C[3x6]-4:C[3x6]-4:Se[3]-3:	Se[3](C[3,6,6]C[3,6,6]C[3x6]2)2(CC[6a]HH)	C[3,6,6](C[3,6,6]C[3x6]2Se[3])(C[3x6]C[6,6]2H)2(Se[3]C[3,6,6]C)	C[3,6,6](C[3,6,6]C[3x6]2Se[3])(C[3x6]C[6,6]2H)2(Se[3]C[3,6,6]C)	Se[3](C[3,6,6]C[3,6,6]C[3x6]2)2(CC[6a]HH){4|H<1>,8|C<4>}	C[3,6,6](C[3,6,6]C[3x6]2Se[3])(C[3x6]C[6,6]2H)2(Se[3]C[3,6,6]C){10|H<1>,6|C<4>}	C[3,6,6](C[3,6,6]C[3x6]2Se[3])(C[3x6]C[6,6]2H)2(Se[3]C[3,6,6]C){10|H<1>,6|C<4>}	41.7494	0.000	1	41.7494	0.000	1	41.7494	0.000	1	41.7494	0.000	1	41.7494	0.000	1	41.7494	0.000	1
963	486	490	0:SP2_SP3_SP3	Se[3]	C[3,6,6]	C	4:4:4:	4:4:4:3:	3:3:1:1:	C[3,6,6]-4:C[3,6,6]-4:C-4:	C[3,6,6]-4:C[3x6]-4:C[3x6]-4:Se[3]-3:	Se[3]-3:C[6a]-3:H-1:H-1:	Se[3](C[3,6,6]C[3,6,6]C[3x6]2)2(CC[6a]HH)	C[3,6,6](C[3,6,6]C[3x6]2Se[3])(C[3x6]C[6,6]2H)2(Se[3]C[3,6,6]C)	C(Se[3]C[3,6,6]2)(C[6a]C[6a]2)(H)2	Se[3](C[3,6,6]C[3,6,6]C[3x6]2)2(CC[6a]HH){4|H<1>,8|C<4>}	C[3,6,6](C[3,6,6]C[3x6]2Se[3])(C[3x6]C[6,6]2H)2(Se[3]C[3,6,6]C){10|H<1>,6|C<4>}	C(Se[3]C[3,6,6]2)(C[6a]C[6a]2)(H)2	105.1645	0.144	2	105.1645	0.021	2	105.1645	0.021	2	105.1645	0.021	2	105.1645	0.021	2	105.1645	0.021	2
964	74	74	0:SPD6_SP2_SP2	Si[4,4,5]	N[4]	N[4]	2:2:3:3:3:3:	6:3:4:	6:3:4:	O[5]-2:O[5]-2:N[4]-3:N[4]-3:N[4]-3:N[4]-3:	Si[4,4,5]-6:C[4]-3:C-4:	Si[4,4,5]-6:C[4]-3:C-4:	Si[4,4,5](O[5]C[5,6a])2(N[4]C[4]C)4	N[4](Si[4,4,5]N[4]3O[5]2)(C[4]C[6a]N[4])(CCCH)	N[4](Si[4,4,5]N[4]3O[5]2)(C[4]C[6a]N[4])(CCCH)	Si[4,4,5](O[5]C[5,6a])2(N[4]C[4]C)4{4|C<3>}	N[4](Si[4,4,5]N[4]3O[5]2)(C[4]C[6a]N[4])(CCCH){3|C<4>,5|C<3>}	N[4](Si[4,4,5]N[4]3O[5]2)(C[4]C[6a]N[4])(CCCH){3|C<4>,5|C<3>}	112.1058	32.330	4	112.1058	1045.213	4	112.1058	1045.213	4	112.1058	1045.213	4	112.0465	880.325	8	111.4040	836.761	25
964	74	74	0:SPD6_SP2_SP2	Si[4,4,5]	N[4]	N[4]	3:3:3:3:2:2:	6:3:4:	6:3:4:	N[4]-3:N[4]-3:N[4]-3:N[4]-3:O[5]-2:O[5]-2:	Si[4,4,5]-6:C[4]-3:C-4:	Si[4,4,5]-6:C[4]-3:C-4:	Si[4,4,5](N[4]C[4]C)4(O[5]C[5])2	N[4](Si[4,4,5]N[4]3O[5]2)(C[4]C[6a]N[4])(CCCH)	N[4](Si[4,4,5]N[4]3O[5]2)(C[4]C[6a]N[4])(CCCH)	Si[4,4,5](N[4]C[4]C)4(O[5]C[5])2{4|C<3>}	N[4](Si[4,4,5]N[4]3O[5]2)(C[4]C[6a]N[4])(CCCH){3|C<4>,5|C<3>}	N[4](Si[4,4,5]N[4]3O[5]2)(C[4]C[6a]N[4])(CCCH){3|C<4>,5|C<3>}	111.9873	31.763	4	111.9873	1008.870	4	111.9873	1008.870	4	111.9873	1008.870	4	112.0465	880.325	8	111.4040	836.761	25
964	74	74	0:SPD6_SP2_SP2	Si[4,4]	N[4,6]	N[4,6]	3:3:2:2:1:1:	6:3:3:	6:3:3:	N[4,6]-3:N[4,6]-3:S[4]-2:S[4]-2:Cl-1:Cl-1:	Si[4,4]-6:C[4,6]-3:C[6]-3:	Si[4,4]-6:C[4,6]-3:C[6]-3:	Si[4,4](N[4,6]C[4,6]C[6])2(S[4]C[4,6])2(Cl)2	N[4,6](Si[4,4]N[4,6]S[4]2Cl2)(C[4,6]C[6]S[4])(C[6]C[6]H)	N[4,6](Si[4,4]N[4,6]S[4]2Cl2)(C[4,6]C[6]S[4])(C[6]C[6]H)	Si[4,4](N[4,6]C[4,6]C[6])2(S[4]C[4,6])2(Cl)2{2|H<1>,4|C<3>}	N[4,6](Si[4,4]N[4,6]S[4]2Cl2)(C[4,6]C[6]S[4])(C[6]C[6]H){2|H<1>,3|C<3>}	N[4,6](Si[4,4]N[4,6]S[4]2Cl2)(C[4,6]C[6]S[4])(C[6]C[6]H){2|H<1>,3|C<3>}	88.7989	0.000	1	88.7989	0.000	1	88.7989	0.000	1	88.7989	0.000	1	88.7989	0.000	1	111.4040	836.761	25
964	74	74	0:SPD6_SP2_SP2	Si[4,4]	N[4]	N[4]	3:3:3:3:1:1:	6:3:4:	6:3:4:	N[4]-3:N[4]-3:N[4]-3:N[4]-3:Cl-1:Cl-1:	Si[4,4]-6:C[4]-3:C-4:	Si[4,4]-6:C[4]-3:C-4:	Si[4,4](N[4]C[4]C)4(Cl)2	N[4](Si[4,4]N[4]3Cl2)(C[4]C[6a]N[4])(CCCH)	N[4](Si[4,4]N[4]3Cl2)(C[4]C[6a]N[4])(CCCH)	Si[4,4](N[4]C[4]C)4(Cl)2{2|C<3>}	N[4](Si[4,4]N[4]3Cl2)(C[4]C[6a]N[4])(CCCH){3|C<3>,3|C<4>}	N[4](Si[4,4]N[4]3Cl2)(C[4]C[6a]N[4])(CCCH){3|C<3>,3|C<4>}	110.5529	32.968	4	110.5529	1086.898	4	110.5529	1086.898	4	111.6683	941.376	8	112.4955	892.442	16	111.4040	836.761	25
964	74	74	0:SPD6_SP2_SP2	Si[4,4]	N[4]	N[4]	3:3:3:3:1:1:	6:3:4:	6:3:4:	N[4]-3:N[4]-3:N[4]-3:N[4]-3:F-1:F-1:	Si[4,4]-6:C[4]-3:C-4:	Si[4,4]-6:C[4]-3:C-4:	Si[4,4](N[4]C[4]C)4(F)2	N[4](Si[4,4]N[4]3FF)(C[4]C[6a]N[4])(CCCH)	N[4](Si[4,4]N[4]3FF)(C[4]C[6a]N[4])(CCCH)	Si[4,4](N[4]C[4]C)4(F)2{2|C<3>}	N[4](Si[4,4]N[4]3FF)(C[4]C[6a]N[4])(CCCH){3|C<3>,3|C<4>}	N[4](Si[4,4]N[4]3FF)(C[4]C[6a]N[4])(CCCH){3|C<3>,3|C<4>}	112.7836	33.262	4	112.7836	1106.328	4	112.7836	1106.328	4	111.6683	941.376	8	112.4955	892.442	16	111.4040	836.761	25
964	74	74	0:SPD6_SP2_SP2	Si[4,4]	N[4]	N[4]	3:3:3:3:2:2:	6:3:4:	6:3:4:	N[4]-3:N[4]-3:N[4]-3:N[4]-3:C-2:C-2:	Si[4,4]-6:C[4]-3:C-4:	Si[4,4]-6:C[4]-3:C-4:	Si[4,4](N[4]C[4]C)4(CN)2	N[4](Si[4,4]N[4]3CC)(C[4]C[6a]N[4])(CCCH)	N[4](Si[4,4]N[4]3CC)(C[4]C[6a]N[4])(CCCH)	Si[4,4](N[4]C[4]C)4(CN)2{2|C<3>}	N[4](Si[4,4]N[4]3CC)(C[4]C[6a]N[4])(CCCH){3|C<3>,3|C<4>}	N[4](Si[4,4]N[4]3CC)(C[4]C[6a]N[4])(CCCH){3|C<3>,3|C<4>}	112.3446	33.279	4	112.3446	1107.461	4	112.3446	1107.461	4	113.3227	969.436	8	112.4955	892.442	16	111.4040	836.761	25
964	74	74	0:SPD6_SP2_SP2	Si[4,4]	N[4]	N[4]	3:3:3:3:2:2:	6:3:4:	6:3:4:	N[4]-3:N[4]-3:N[4]-3:N[4]-3:N-2:N-2:	Si[4,4]-6:C[4]-3:C-4:	Si[4,4]-6:C[4]-3:C-4:	Si[4,4](N[4]C[4]C)4(NC)2	N[4](Si[4,4]N[4]3NN)(C[4]C[6a]N[4])(CCCH)	N[4](Si[4,4]N[4]3NN)(C[4]C[6a]N[4])(CCCH)	Si[4,4](N[4]C[4]C)4(NC)2{2|C<3>}	N[4](Si[4,4]N[4]3NN)(C[4]C[6a]N[4])(CCCH){3|C<3>,3|C<4>}	N[4](Si[4,4]N[4]3NN)(C[4]C[6a]N[4])(CCCH){3|C<3>,3|C<4>}	114.3007	33.941	4	114.3007	1152.006	4	114.3007	1152.006	4	113.3227	969.436	8	112.4955	892.442	16	111.4040	836.761	25
964	74	74	4:SPD6_SP2_SP2	Si[4,4,5]	N[4]	N[4]	2:2:3:3:3:3:	6:3:4:	6:3:4:	O[5]-2:O[5]-2:N[4]-3:N[4]-3:N[4]-3:N[4]-3:	Si[4,4,5]-6:C[4]-3:C-4:	Si[4,4,5]-6:C[4]-3:C-4:	Si[4,4,5](O[5]C[5,6a])2(N[4]C[4]C)4	N[4](Si[4,4,5]N[4]3O[5]2)(C[4]C[6a]N[4])(CCCH)	N[4](Si[4,4,5]N[4]3O[5]2)(C[4]C[6a]N[4])(CCCH)	Si[4,4,5](O[5]C[5,6a])2(N[4]C[4]C)4{4|C<3>}	N[4](Si[4,4,5]N[4]3O[5]2)(C[4]C[6a]N[4])(CCCH){3|C<4>,5|C<3>}	N[4](Si[4,4,5]N[4]3O[5]2)(C[4]C[6a]N[4])(CCCH){3|C<4>,5|C<3>}	67.9677	0.237	2	67.9677	0.056	2	67.9677	0.056	2	67.9677	0.056	2	67.8653	0.046	4	80.5066	746.491	26
964	74	74	4:SPD6_SP2_SP2	Si[4,4,5]	N[4]	N[4]	3:3:3:3:2:2:	6:3:4:	6:3:4:	N[4]-3:N[4]-3:N[4]-3:N[4]-3:O[5]-2:O[5]-2:	Si[4,4,5]-6:C[4]-3:C-4:	Si[4,4,5]-6:C[4]-3:C-4:	Si[4,4,5](N[4]C[4]C)4(O[5]C[5])2	N[4](Si[4,4,5]N[4]3O[5]2)(C[4]C[6a]N[4])(CCCH)	N[4](Si[4,4,5]N[4]3O[5]2)(C[4]C[6a]N[4])(CCCH)	Si[4,4,5](N[4]C[4]C)4(O[5]C[5])2{4|C<3>}	N[4](Si[4,4,5]N[4]3O[5]2)(C[4]C[6a]N[4])(CCCH){3|C<4>,5|C<3>}	N[4](Si[4,4,5]N[4]3O[5]2)(C[4]C[6a]N[4])(CCCH){3|C<4>,5|C<3>}	67.7628	0.200	2	67.7628	0.040	2	67.7628	0.040	2	67.7628	0.040	2	67.8653	0.046	4	80.5066	746.491	26
964	74	74	4:SPD6_SP2_SP2	Si[4,4]	N[4]	N[4]	3:3:3:3:1:1:	6:3:4:	6:3:4:	N[4]-3:N[4]-3:N[4]-3:N[4]-3:Cl-1:Cl-1:	Si[4,4]-6:C[4]-3:C-4:	Si[4,4]-6:C[4]-3:C-4:	Si[4,4](N[4]C[4]C)4(Cl)2	N[4](Si[4,4]N[4]3Cl2)(C[4]C[6a]N[4])(CCCH)	N[4](Si[4,4]N[4]3Cl2)(C[4]C[6a]N[4])(CCCH)	Si[4,4](N[4]C[4]C)4(Cl)2{2|C<3>}	N[4](Si[4,4]N[4]3Cl2)(C[4]C[6a]N[4])(CCCH){3|C<3>,3|C<4>}	N[4](Si[4,4]N[4]3Cl2)(C[4]C[6a]N[4])(CCCH){3|C<3>,3|C<4>}	68.9138	0.299	2	68.9138	0.089	2	68.9138	0.089	2	88.4033	1239.324	8	87.9390	1090.656	16	80.5066	746.491	26
964	74	74	4:SPD6_SP2_SP2	Si[4,4]	N[4]	N[4]	3:3:3:3:1:1:	6:3:4:	6:3:4:	N[4]-3:N[4]-3:N[4]-3:N[4]-3:Cl-1:Cl-1:	Si[4,4]-6:C[4]-3:Si-4:	Si[4,4]-6:C[4]-3:Si-4:	Si[4,4](N[4]C[4]Si)4(Cl)2	N[4](Si[4,4]N[4]3Cl2)(C[4]C[6a]N[4])(SiC3)	N[4](Si[4,4]N[4]3Cl2)(C[4]C[6a]N[4])(SiC3)	Si[4,4](N[4]C[4]Si)4(Cl)2{2|C<3>}	N[4](Si[4,4]N[4]3Cl2)(C[4]C[6a]N[4])(SiC3){3|Si<4>,3|C<3>}	N[4](Si[4,4]N[4]3Cl2)(C[4]C[6a]N[4])(SiC3){3|Si<4>,3|C<3>}	108.2942	42.854	4	108.2942	1836.459	4	108.2942	1836.459	4	88.4033	1239.324	8	87.9390	1090.656	16	80.5066	746.491	26
964	74	74	4:SPD6_SP2_SP2	Si[4,4]	N[4]	N[4]	3:3:3:3:1:1:	6:3:4:	6:3:4:	N[4]-3:N[4]-3:N[4]-3:N[4]-3:F-1:F-1:	Si[4,4]-6:C[4]-3:C-4:	Si[4,4]-6:C[4]-3:C-4:	Si[4,4](N[4]C[4]C)4(F)2	N[4](Si[4,4]N[4]3FF)(C[4]C[6a]N[4])(CCCH)	N[4](Si[4,4]N[4]3FF)(C[4]C[6a]N[4])(CCCH)	Si[4,4](N[4]C[4]C)4(F)2{2|C<3>}	N[4](Si[4,4]N[4]3FF)(C[4]C[6a]N[4])(CCCH){3|C<3>,3|C<4>}	N[4](Si[4,4]N[4]3FF)(C[4]C[6a]N[4])(CCCH){3|C<3>,3|C<4>}	68.1113	0.049	2	68.1113	0.002	2	68.1113	0.002	2	88.4033	1239.324	8	87.9390	1090.656	16	80.5066	746.491	26
964	74	74	4:SPD6_SP2_SP2	Si[4,4]	N[4]	N[4]	3:3:3:3:2:2:	6:3:4:	6:3:4:	N[4]-3:N[4]-3:N[4]-3:N[4]-3:C-2:C-2:	Si[4,4]-6:C[4]-3:C-4:	Si[4,4]-6:C[4]-3:C-4:	Si[4,4](N[4]C[4]C)4(CN)2	N[4](Si[4,4]N[4]3CC)(C[4]C[6a]N[4])(CCCH)	N[4](Si[4,4]N[4]3CC)(C[4]C[6a]N[4])(CCCH)	Si[4,4](N[4]C[4]C)4(CN)2{2|C<3>}	N[4](Si[4,4]N[4]3CC)(C[4]C[6a]N[4])(CCCH){3|C<3>,3|C<4>}	N[4](Si[4,4]N[4]3CC)(C[4]C[6a]N[4])(CCCH){3|C<3>,3|C<4>}	69.3463	0.247	2	69.3463	0.061	2	69.3463	0.061	2	87.4746	1097.304	8	87.9390	1090.656	16	80.5066	746.491	26
964	74	74	4:SPD6_SP2_SP2	Si[4,4]	N[4]	N[4]	3:3:3:3:2:2:	6:3:4:	6:3:4:	N[4]-3:N[4]-3:N[4]-3:N[4]-3:N-2:N-2:	Si[4,4]-6:C[4]-3:C-4:	Si[4,4]-6:C[4]-3:C-4:	Si[4,4](N[4]C[4]C)4(NC)2	N[4](Si[4,4]N[4]3NN)(C[4]C[6a]N[4])(CCCH)	N[4](Si[4,4]N[4]3NN)(C[4]C[6a]N[4])(CCCH)	Si[4,4](N[4]C[4]C)4(NC)2{2|C<3>}	N[4](Si[4,4]N[4]3NN)(C[4]C[6a]N[4])(CCCH){3|C<3>,3|C<4>}	N[4](Si[4,4]N[4]3NN)(C[4]C[6a]N[4])(CCCH){3|C<3>,3|C<4>}	93.5174	36.891	6	93.5174	1360.940	6	93.5174	1360.940	6	87.4746	1097.304	8	87.9390	1090.656	16	80.5066	746.491	26
964	74	74	4:SPD6_SP2_SP2	Si[4,5,5]	N[4]	N[4]	3:2:2:2:3:3:	6:3:4:	6:3:4:	N[5,6]-3:O[5]-2:O[5]-2:O[5]-2:N[4]-3:N[4]-3:	Si[4,5,5]-6:C[4]-3:C-4:	Si[4,5,5]-6:C[4]-3:C-4:	Si[4,5,5](N[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])3(N[4]C[4]C)2	N[4](Si[4,5,5]N[5,6]N[4]O[5]3)(C[4]C[6a]N[4])(CCCH)	N[4](Si[4,5,5]N[5,6]N[4]O[5]3)(C[4]C[6a]N[4])(CCCH)	Si[4,5,5](N[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])3(N[4]C[4]C)2{1|H<1>,6|C<3>}	N[4](Si[4,5,5]N[5,6]N[4]O[5]3)(C[4]C[6a]N[4])(CCCH){1|C<4>,7|C<3>}	N[4](Si[4,5,5]N[5,6]N[4]O[5]3)(C[4]C[6a]N[4])(CCCH){1|C<4>,7|C<3>}	68.6123	0.000	1	68.6123	0.000	1	68.6123	0.000	1	68.6123	0.000	1	68.6123	0.000	1	80.5066	746.491	26
964	74	74	4:SPD6_SP2_SP2	Si[4,5]	N[4]	N[4]	3:2:3:3:1:1:	6:3:4:	6:3:4:	N[5,6]-3:O[5]-2:N[4]-3:N[4]-3:Br-1:Br-1:	Si[4,5]-6:C[4]-3:C-4:	Si[4,5]-6:C[4]-3:C-4:	Si[4,5](N[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])(N[4]C[4]C)2(Br)2	N[4](Si[4,5]N[5,6]N[4]O[5]Br2)(C[4]C[6a]N[4])(CCCH)	N[4](Si[4,5]N[5,6]N[4]O[5]Br2)(C[4]C[6a]N[4])(CCCH)	Si[4,5](N[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])(N[4]C[4]C)2(Br)2{1|H<1>,4|C<3>}	N[4](Si[4,5]N[5,6]N[4]O[5]Br2)(C[4]C[6a]N[4])(CCCH){1|C<4>,5|C<3>}	N[4](Si[4,5]N[5,6]N[4]O[5]Br2)(C[4]C[6a]N[4])(CCCH){1|C<4>,5|C<3>}	69.4923	0.000	1	69.4923	0.000	1	69.4923	0.000	1	69.3152	0.063	2	69.2151	0.064	5	80.5066	746.491	26
964	74	74	4:SPD6_SP2_SP2	Si[4,5]	N[4]	N[4]	3:2:3:3:1:1:	6:3:4:	6:3:4:	N[5,6]-3:O[5]-2:N[4]-3:N[4]-3:Cl-1:Cl-1:	Si[4,5]-6:C[4]-3:C-4:	Si[4,5]-6:C[4]-3:C-4:	Si[4,5](N[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])(N[4]C[4]C)2(Cl)2	N[4](Si[4,5]N[5,6]N[4]O[5]Cl2)(C[4]C[6a]N[4])(CCCH)	N[4](Si[4,5]N[5,6]N[4]O[5]Cl2)(C[4]C[6a]N[4])(CCCH)	Si[4,5](N[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])(N[4]C[4]C)2(Cl)2{1|H<1>,4|C<3>}	N[4](Si[4,5]N[5,6]N[4]O[5]Cl2)(C[4]C[6a]N[4])(CCCH){1|C<4>,5|C<3>}	N[4](Si[4,5]N[5,6]N[4]O[5]Cl2)(C[4]C[6a]N[4])(CCCH){1|C<4>,5|C<3>}	69.1382	0.000	1	69.1382	0.000	1	69.1382	0.000	1	69.3152	0.063	2	69.2151	0.064	5	80.5066	746.491	26
964	74	74	4:SPD6_SP2_SP2	Si[4,5]	N[4]	N[4]	3:2:3:3:2:2:	6:3:4:	6:3:4:	N[5,6]-3:O[5]-2:N[4]-3:N[4]-3:N-2:N-2:	Si[4,5]-6:C[4]-3:C-4:	Si[4,5]-6:C[4]-3:C-4:	Si[4,5](N[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])(N[4]C[4]C)2(NC)2	N[4](Si[4,5]N[5,6]N[4]O[5]NN)(C[4]C[6a]N[4])(CCCH)	N[4](Si[4,5]N[5,6]N[4]O[5]NN)(C[4]C[6a]N[4])(CCCH)	Si[4,5](N[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])(N[4]C[4]C)2(NC)2{1|H<1>,4|C<3>}	N[4](Si[4,5]N[5,6]N[4]O[5]NN)(C[4]C[6a]N[4])(CCCH){1|C<4>,5|C<3>}	N[4](Si[4,5]N[5,6]N[4]O[5]NN)(C[4]C[6a]N[4])(CCCH){1|C<4>,5|C<3>}	69.2292	0.345	2	69.2292	0.119	2	69.1483	0.079	3	69.1483	0.079	3	69.2151	0.064	5	80.5066	746.491	26
964	74	74	4:SPD6_SP2_SP2	Si[4,5]	N[4]	N[4]	3:2:3:3:2:2:	6:3:4:	6:3:4:	N[5,6]-3:O[5]-2:N[4]-3:N[4]-3:N-2:N-2:	Si[4,5]-6:C[4]-3:C-4:	Si[4,5]-6:C[4]-3:C-4:	Si[4,5](N[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])(N[4]C[4]C)2(NN)2	N[4](Si[4,5]N[5,6]N[4]O[5]NN)(C[4]C[6a]N[4])(CCCH)	N[4](Si[4,5]N[5,6]N[4]O[5]NN)(C[4]C[6a]N[4])(CCCH)	Si[4,5](N[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])(N[4]C[4]C)2(NN)2{1|H<1>,4|C<3>}	N[4](Si[4,5]N[5,6]N[4]O[5]NN)(C[4]C[6a]N[4])(CCCH){1|C<4>,5|C<3>}	N[4](Si[4,5]N[5,6]N[4]O[5]NN)(C[4]C[6a]N[4])(CCCH){1|C<4>,5|C<3>}	68.9865	0.000	1	68.9865	0.000	1	69.1483	0.079	3	69.1483	0.079	3	69.2151	0.064	5	80.5066	746.491	26
964	74	542	0:SPD6_SP2_SP2	Si[4,5,5]	N[4]	N[5,6]	3:2:2:2:3:3:	6:3:4:	3:6:3:	N[5,6]-3:O[5]-2:O[5]-2:O[5]-2:N[4]-3:N[4]-3:	Si[4,5,5]-6:C[4]-3:C-4:	C[5,6,6a]-3:Si[4,5,5]-6:C[6]-3:	Si[4,5,5](N[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])3(N[4]C[4]C)2	N[4](Si[4,5,5]N[5,6]N[4]O[5]3)(C[4]C[6a]N[4])(CCCH)	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(Si[4,5,5]N[4]2O[5]3)(C[6]C[6]H)	Si[4,5,5](N[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])3(N[4]C[4]C)2{1|H<1>,6|C<3>}	N[4](Si[4,5,5]N[5,6]N[4]O[5]3)(C[4]C[6a]N[4])(CCCH){1|C<4>,7|C<3>}	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(Si[4,5,5]N[4]2O[5]3)(C[6]C[6]H){1|H<1>,2|C<4>,6|C<3>}	90.7979	1.052	2	90.7979	1.107	2	90.7979	1.107	2	90.7979	1.107	2	90.7979	1.107	2	89.7319	2.594	12
964	74	542	0:SPD6_SP2_SP2	Si[4,5]	N[4]	N[5,6]	3:2:3:3:1:1:	6:3:4:	3:6:3:	N[5,6]-3:O[5]-2:N[4]-3:N[4]-3:Br-1:Br-1:	Si[4,5]-6:C[4]-3:C-4:	C[5,6,6a]-3:Si[4,5]-6:C[6]-3:	Si[4,5](N[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])(N[4]C[4]C)2(Br)2	N[4](Si[4,5]N[5,6]N[4]O[5]Br2)(C[4]C[6a]N[4])(CCCH)	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(Si[4,5]N[4]2O[5]Br2)(C[6]C[6]H)	Si[4,5](N[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])(N[4]C[4]C)2(Br)2{1|H<1>,4|C<3>}	N[4](Si[4,5]N[5,6]N[4]O[5]Br2)(C[4]C[6a]N[4])(CCCH){1|C<4>,5|C<3>}	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(Si[4,5]N[4]2O[5]Br2)(C[6]C[6]H){1|H<1>,2|C<4>,4|C<3>}	89.5180	1.273	2	89.5180	1.619	2	89.5180	1.619	2	89.1854	2.484	4	89.5187	2.745	10	89.7319	2.594	12
964	74	542	0:SPD6_SP2_SP2	Si[4,5]	N[4]	N[5,6]	3:2:3:3:1:1:	6:3:4:	3:6:3:	N[5,6]-3:O[5]-2:N[4]-3:N[4]-3:Cl-1:Cl-1:	Si[4,5]-6:C[4]-3:C-4:	C[5,6,6a]-3:Si[4,5]-6:C[6]-3:	Si[4,5](N[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])(N[4]C[4]C)2(Cl)2	N[4](Si[4,5]N[5,6]N[4]O[5]Cl2)(C[4]C[6a]N[4])(CCCH)	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(Si[4,5]N[4]2O[5]Cl2)(C[6]C[6]H)	Si[4,5](N[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])(N[4]C[4]C)2(Cl)2{1|H<1>,4|C<3>}	N[4](Si[4,5]N[5,6]N[4]O[5]Cl2)(C[4]C[6a]N[4])(CCCH){1|C<4>,5|C<3>}	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(Si[4,5]N[4]2O[5]Cl2)(C[6]C[6]H){1|H<1>,2|C<4>,4|C<3>}	88.8529	2.322	2	88.8529	5.390	2	88.8529	5.390	2	89.1854	2.484	4	89.5187	2.745	10	89.7319	2.594	12
964	74	542	0:SPD6_SP2_SP2	Si[4,5]	N[4]	N[5,6]	3:2:3:3:2:2:	6:3:4:	3:6:3:	N[5,6]-3:O[5]-2:N[4]-3:N[4]-3:N-2:N-2:	Si[4,5]-6:C[4]-3:C-4:	C[5,6,6a]-3:Si[4,5]-6:C[6]-3:	Si[4,5](N[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])(N[4]C[4]C)2(NC)2	N[4](Si[4,5]N[5,6]N[4]O[5]NN)(C[4]C[6a]N[4])(CCCH)	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(Si[4,5]N[4]2O[5]NN)(C[6]C[6]H)	Si[4,5](N[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])(N[4]C[4]C)2(NC)2{1|H<1>,4|C<3>}	N[4](Si[4,5]N[5,6]N[4]O[5]NN)(C[4]C[6a]N[4])(CCCH){1|C<4>,5|C<3>}	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(Si[4,5]N[4]2O[5]NN)(C[6]C[6]H){1|H<1>,2|C<4>,4|C<3>}	89.8632	1.694	4	89.8632	2.871	4	89.7408	3.303	6	89.7408	3.303	6	89.5187	2.745	10	89.7319	2.594	12
964	74	542	0:SPD6_SP2_SP2	Si[4,5]	N[4]	N[5,6]	3:2:3:3:2:2:	6:3:4:	3:6:3:	N[5,6]-3:O[5]-2:N[4]-3:N[4]-3:N-2:N-2:	Si[4,5]-6:C[4]-3:C-4:	C[5,6,6a]-3:Si[4,5]-6:C[6]-3:	Si[4,5](N[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])(N[4]C[4]C)2(NN)2	N[4](Si[4,5]N[5,6]N[4]O[5]NN)(C[4]C[6a]N[4])(CCCH)	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(Si[4,5]N[4]2O[5]NN)(C[6]C[6]H)	Si[4,5](N[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])(N[4]C[4]C)2(NN)2{1|H<1>,4|C<3>}	N[4](Si[4,5]N[5,6]N[4]O[5]NN)(C[4]C[6a]N[4])(CCCH){1|C<4>,5|C<3>}	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(Si[4,5]N[4]2O[5]NN)(C[6]C[6]H){1|H<1>,2|C<4>,4|C<3>}	89.4959	2.779	2	89.4959	7.721	2	89.7408	3.303	6	89.7408	3.303	6	89.5187	2.745	10	89.7319	2.594	12
964	74	790	0:SPD6_SP-NON_SP2	Si[4,4]	N[4,6]	Cl	3:3:2:2:1:1:	6:3:3:	6:	N[4,6]-3:N[4,6]-3:S[4]-2:S[4]-2:Cl-1:Cl-1:	Si[4,4]-6:C[4,6]-3:C[6]-3:	Si[4,4]-6:	Si[4,4](N[4,6]C[4,6]C[6])2(S[4]C[4,6])2(Cl)2	N[4,6](Si[4,4]N[4,6]S[4]2Cl2)(C[4,6]C[6]S[4])(C[6]C[6]H)	Cl(Si[4,4]N[4,6]2S[4]2Cl)	Si[4,4](N[4,6]C[4,6]C[6])2(S[4]C[4,6])2(Cl)2{2|H<1>,4|C<3>}	N[4,6](Si[4,4]N[4,6]S[4]2Cl2)(C[4,6]C[6]S[4])(C[6]C[6]H){2|H<1>,3|C<3>}	Cl(Si[4,4]N[4,6]2S[4]2Cl)	128.0539	43.386	4	128.0539	1882.371	4	128.0539	1882.371	4	128.0539	1882.371	4	128.0539	1882.371	4	112.3696	1064.992	19
964	74	790	0:SPD6_SP-NON_SP2	Si[4,4]	N[4]	Cl	3:3:3:3:1:1:	6:3:4:	6:	N[4]-3:N[4]-3:N[4]-3:N[4]-3:Cl-1:Cl-1:	Si[4,4]-6:C[4]-3:C-4:	Si[4,4]-6:	Si[4,4](N[4]C[4]C)4(Cl)2	N[4](Si[4,4]N[4]3Cl2)(C[4]C[6a]N[4])(CCCH)	Cl(Si[4,4]N[4]4Cl)	Si[4,4](N[4]C[4]C)4(Cl)2{2|C<3>}	N[4](Si[4,4]N[4]3Cl2)(C[4]C[6a]N[4])(CCCH){3|C<3>,3|C<4>}	Cl(Si[4,4]N[4]4Cl)	105.1975	27.347	7	105.1975	747.853	7	105.1975	747.853	7	107.0701	844.611	11	107.0701	844.611	11	112.3696	1064.992	19
964	74	790	0:SPD6_SP-NON_SP2	Si[4,4]	N[4]	Cl	3:3:3:3:1:1:	6:3:4:	6:	N[4]-3:N[4]-3:N[4]-3:N[4]-3:Cl-1:Cl-1:	Si[4,4]-6:C[4]-3:Si-4:	Si[4,4]-6:	Si[4,4](N[4]C[4]Si)4(Cl)2	N[4](Si[4,4]N[4]3Cl2)(C[4]C[6a]N[4])(SiC3)	Cl(Si[4,4]N[4]4Cl)	Si[4,4](N[4]C[4]Si)4(Cl)2{2|C<3>}	N[4](Si[4,4]N[4]3Cl2)(C[4]C[6a]N[4])(SiC3){3|Si<4>,3|C<3>}	Cl(Si[4,4]N[4]4Cl)	110.3472	36.016	4	110.3472	1297.163	4	110.3472	1297.163	4	107.0701	844.611	11	107.0701	844.611	11	112.3696	1064.992	19
964	74	790	0:SPD6_SP-NON_SP2	Si[4,5]	N[4]	Cl	3:2:3:3:1:1:	6:3:4:	6:	N[5,6]-3:O[5]-2:N[4]-3:N[4]-3:Cl-1:Cl-1:	Si[4,5]-6:C[4]-3:C-4:	Si[4,5]-6:	Si[4,5](N[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])(N[4]C[4]C)2(Cl)2	N[4](Si[4,5]N[5,6]N[4]O[5]Cl2)(C[4]C[6a]N[4])(CCCH)	Cl(Si[4,5]N[5,6]N[4]2O[5]Cl)	Si[4,5](N[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])(N[4]C[4]C)2(Cl)2{1|H<1>,4|C<3>}	N[4](Si[4,5]N[5,6]N[4]O[5]Cl2)(C[4]C[6a]N[4])(CCCH){1|C<4>,5|C<3>}	Cl(Si[4,5]N[5,6]N[4]2O[5]Cl)	111.2591	35.491	4	111.2591	1259.597	4	111.2591	1259.597	4	111.2591	1259.597	4	111.2591	1259.597	4	112.3696	1064.992	19
964	74	830	0:SPD6_SP-NON_SP2	Si[4,4]	N[4]	F	3:3:3:3:1:1:	6:3:4:	6:	N[4]-3:N[4]-3:N[4]-3:N[4]-3:F-1:F-1:	Si[4,4]-6:C[4]-3:C-4:	Si[4,4]-6:	Si[4,4](N[4]C[4]C)4(F)2	N[4](Si[4,4]N[4]3FF)(C[4]C[6a]N[4])(CCCH)	F(Si[4,4]N[4]4F)	Si[4,4](N[4]C[4]C)4(F)2{2|C<3>}	N[4](Si[4,4]N[4]3FF)(C[4]C[6a]N[4])(CCCH){3|C<3>,3|C<4>}	F(Si[4,4]N[4]4F)	111.4601	32.139	8	111.4601	1032.944	8	111.4601	1032.944	8	111.4601	1032.944	8	111.4601	1032.944	8	111.4601	1032.944	8
964	74	866	0:SPD6_SP2_SP2	Si[4,4]	N[4,6]	S[4]	3:3:2:2:1:1:	6:3:3:	6:3:	N[4,6]-3:N[4,6]-3:S[4]-2:S[4]-2:Cl-1:Cl-1:	Si[4,4]-6:C[4,6]-3:C[6]-3:	Si[4,4]-6:C[4,6]-3:	Si[4,4](N[4,6]C[4,6]C[6])2(S[4]C[4,6])2(Cl)2	N[4,6](Si[4,4]N[4,6]S[4]2Cl2)(C[4,6]C[6]S[4])(C[6]C[6]H)	S[4](Si[4,4]N[4,6]2S[4]Cl2)(C[4,6]N[4,6]C[6])	Si[4,4](N[4,6]C[4,6]C[6])2(S[4]C[4,6])2(Cl)2{2|H<1>,4|C<3>}	N[4,6](Si[4,4]N[4,6]S[4]2Cl2)(C[4,6]C[6]S[4])(C[6]C[6]H){2|H<1>,3|C<3>}	S[4](Si[4,4]N[4,6]2S[4]Cl2)(C[4,6]N[4,6]C[6]){1|H<1>,4|C<3>}	95.1997	0.720	2	95.1997	0.518	2	95.1997	0.518	2	95.1997	0.518	2	95.1997	0.518	2	95.1997	0.518	2
964	74	866	4:SPD6_SP2_SP2	Si[4,4]	N[4,6]	S[4]	3:3:2:2:1:1:	6:3:3:	6:3:	N[4,6]-3:N[4,6]-3:S[4]-2:S[4]-2:Cl-1:Cl-1:	Si[4,4]-6:C[4,6]-3:C[6]-3:	Si[4,4]-6:C[4,6]-3:	Si[4,4](N[4,6]C[4,6]C[6])2(S[4]C[4,6])2(Cl)2	N[4,6](Si[4,4]N[4,6]S[4]2Cl2)(C[4,6]C[6]S[4])(C[6]C[6]H)	S[4](Si[4,4]N[4,6]2S[4]Cl2)(C[4,6]N[4,6]C[6])	Si[4,4](N[4,6]C[4,6]C[6])2(S[4]C[4,6])2(Cl)2{2|H<1>,4|C<3>}	N[4,6](Si[4,4]N[4,6]S[4]2Cl2)(C[4,6]C[6]S[4])(C[6]C[6]H){2|H<1>,3|C<3>}	S[4](Si[4,4]N[4,6]2S[4]Cl2)(C[4,6]N[4,6]C[6]){1|H<1>,4|C<3>}	72.6542	0.128	2	72.6542	0.016	2	72.6542	0.016	2	72.6542	0.016	2	72.6542	0.016	2	72.6542	0.016	2
964	74	924	0:SPD6_SP-NON_SP2	Si[4,5]	N[4]	Br	3:2:3:3:1:1:	6:3:4:	6:	N[5,6]-3:O[5]-2:N[4]-3:N[4]-3:Br-1:Br-1:	Si[4,5]-6:C[4]-3:C-4:	Si[4,5]-6:	Si[4,5](N[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])(N[4]C[4]C)2(Br)2	N[4](Si[4,5]N[5,6]N[4]O[5]Br2)(C[4]C[6a]N[4])(CCCH)	Br(Si[4,5]N[5,6]N[4]2O[5]Br)	Si[4,5](N[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])(N[4]C[4]C)2(Br)2{1|H<1>,4|C<3>}	N[4](Si[4,5]N[5,6]N[4]O[5]Br2)(C[4]C[6a]N[4])(CCCH){1|C<4>,5|C<3>}	Br(Si[4,5]N[5,6]N[4]2O[5]Br)	111.7688	35.369	4	111.7688	1250.947	4	111.7688	1250.947	4	111.7688	1250.947	4	111.7688	1250.947	4	111.7688	1250.947	4
964	74	941	0:SPD6_SP2_SP2	Si[4,4]	N[4]	N	3:3:3:3:2:2:	6:3:4:	6:2:	N[4]-3:N[4]-3:N[4]-3:N[4]-3:N-2:N-2:	Si[4,4]-6:C[4]-3:C-4:	Si[4,4]-6:C-2:	Si[4,4](N[4]C[4]C)4(NC)2	N[4](Si[4,4]N[4]3NN)(C[4]C[6a]N[4])(CCCH)	N(Si[4,4]N[4]4N)(CO)	Si[4,4](N[4]C[4]C)4(NC)2{2|C<3>}	N[4](Si[4,4]N[4]3NN)(C[4]C[6a]N[4])(CCCH){3|C<3>,3|C<4>}	N(Si[4,4]N[4]4N)(CO)	111.3365	34.642	4	111.3365	1200.083	4	111.3152	1020.359	12	111.3152	1020.359	12	111.3152	1020.359	12	111.6267	973.365	24
964	74	941	0:SPD6_SP2_SP2	Si[4,4]	N[4]	N	3:3:3:3:2:2:	6:3:4:	6:2:	N[4]-3:N[4]-3:N[4]-3:N[4]-3:N-2:N-2:	Si[4,4]-6:C[4]-3:C-4:	Si[4,4]-6:C-2:	Si[4,4](N[4]C[4]C)4(NC)2	N[4](Si[4,4]N[4]3NN)(C[4]C[6a]N[4])(CCCH)	N(Si[4,4]N[4]4N)(CS)	Si[4,4](N[4]C[4]C)4(NC)2{2|C<3>}	N[4](Si[4,4]N[4]3NN)(C[4]C[6a]N[4])(CCCH){3|C<3>,3|C<4>}	N(Si[4,4]N[4]4N)(CS)	111.3045	33.002	8	111.3045	1089.100	8	111.3152	1020.359	12	111.3152	1020.359	12	111.3152	1020.359	12	111.6267	973.365	24
964	74	941	0:SPD6_SP2_SP2	Si[4,5]	N[4]	N	3:2:3:3:2:2:	6:3:4:	6:2:	N[5,6]-3:O[5]-2:N[4]-3:N[4]-3:N-2:N-2:	Si[4,5]-6:C[4]-3:C-4:	Si[4,5]-6:C-2:	Si[4,5](N[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])(N[4]C[4]C)2(NC)2	N[4](Si[4,5]N[5,6]N[4]O[5]NN)(C[4]C[6a]N[4])(CCCH)	N(Si[4,5]N[5,6]N[4]2O[5]N)(CO)	Si[4,5](N[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])(N[4]C[4]C)2(NC)2{1|H<1>,4|C<3>}	N[4](Si[4,5]N[5,6]N[4]O[5]NN)(C[4]C[6a]N[4])(CCCH){1|C<4>,5|C<3>}	N(Si[4,5]N[5,6]N[4]2O[5]N)(CO)	113.1851	35.555	4	113.1851	1264.172	4	112.3319	1082.444	8	111.9383	1014.646	12	111.9383	1014.646	12	111.6267	973.365	24
964	74	941	0:SPD6_SP2_SP2	Si[4,5]	N[4]	N	3:2:3:3:2:2:	6:3:4:	6:2:	N[5,6]-3:O[5]-2:N[4]-3:N[4]-3:N-2:N-2:	Si[4,5]-6:C[4]-3:C-4:	Si[4,5]-6:C-2:	Si[4,5](N[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])(N[4]C[4]C)2(NC)2	N[4](Si[4,5]N[5,6]N[4]O[5]NN)(C[4]C[6a]N[4])(CCCH)	N(Si[4,5]N[5,6]N[4]2O[5]N)(CS)	Si[4,5](N[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])(N[4]C[4]C)2(NC)2{1|H<1>,4|C<3>}	N[4](Si[4,5]N[5,6]N[4]O[5]NN)(C[4]C[6a]N[4])(CCCH){1|C<4>,5|C<3>}	N(Si[4,5]N[5,6]N[4]2O[5]N)(CS)	111.4787	35.491	4	111.4787	1259.590	4	112.3319	1082.444	8	111.9383	1014.646	12	111.9383	1014.646	12	111.6267	973.365	24
964	74	941	0:SPD6_SP2_SP2	Si[4,5]	N[4]	N	3:2:3:3:2:2:	6:3:4:	6:2:	N[5,6]-3:O[5]-2:N[4]-3:N[4]-3:N-2:N-2:	Si[4,5]-6:C[4]-3:C-4:	Si[4,5]-6:N-2:	Si[4,5](N[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])(N[4]C[4]C)2(NN)2	N[4](Si[4,5]N[5,6]N[4]O[5]NN)(C[4]C[6a]N[4])(CCCH)	N(Si[4,5]N[5,6]N[4]2O[5]N)(NN)	Si[4,5](N[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])(N[4]C[4]C)2(NN)2{1|H<1>,4|C<3>}	N[4](Si[4,5]N[5,6]N[4]O[5]NN)(C[4]C[6a]N[4])(CCCH){1|C<4>,5|C<3>}	N(Si[4,5]N[5,6]N[4]2O[5]N)(NN)	111.1512	34.546	4	111.1512	1193.426	4	111.1512	1193.426	4	111.9383	1014.646	12	111.9383	1014.646	12	111.6267	973.365	24
964	74	976	0:SPD6_SP2_SP2	Si[4,4,5]	N[4]	O[5]	2:2:3:3:3:3:	6:3:4:	3:6:	O[5]-2:O[5]-2:N[4]-3:N[4]-3:N[4]-3:N[4]-3:	Si[4,4,5]-6:C[4]-3:C-4:	C[5,6a]-3:Si[4,4,5]-6:	Si[4,4,5](O[5]C[5,6a])2(N[4]C[4]C)4	N[4](Si[4,4,5]N[4]3O[5]2)(C[4]C[6a]N[4])(CCCH)	O[5](C[5,6a]C[5,6a]C[6a])(Si[4,4,5]N[4]4O[5])	Si[4,4,5](O[5]C[5,6a])2(N[4]C[4]C)4{4|C<3>}	N[4](Si[4,4,5]N[4]3O[5]2)(C[4]C[6a]N[4])(CCCH){3|C<4>,5|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(Si[4,4,5]N[4]4O[5]){1|H<1>,4|C<3>,4|C<4>}	112.0363	34.882	4	112.1649	1041.090	8	112.1649	1041.090	8	112.1649	1041.090	8	112.2158	959.994	16	120.0091	1135.707	32
964	74	976	0:SPD6_SP2_SP2	Si[4,4,5]	N[4]	O[5]	2:2:3:3:3:3:	6:3:4:	3:6:	O[5]-2:O[5]-2:N[4]-3:N[4]-3:N[4]-3:N[4]-3:	Si[4,4,5]-6:C[4]-3:C-4:	C[5,6a]-3:Si[4,4,5]-6:	Si[4,4,5](O[5]C[5,6a])2(N[4]C[4]C)4	N[4](Si[4,4,5]N[4]3O[5]2)(C[4]C[6a]N[4])(CCCH)	O[5](C[5,6a]C[5,6a]C[6a])(Si[4,4,5]N[4]4O[5])	Si[4,4,5](O[5]C[5,6a])2(N[4]C[4]C)4{4|C<3>}	N[4](Si[4,4,5]N[4]3O[5]2)(C[4]C[6a]N[4])(CCCH){3|C<4>,5|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(Si[4,4,5]N[4]4O[5]){4|C<3>,5|C<4>}	112.2935	34.820	4	112.1649	1041.090	8	112.1649	1041.090	8	112.1649	1041.090	8	112.2158	959.994	16	120.0091	1135.707	32
964	74	976	0:SPD6_SP2_SP2	Si[4,4,5]	N[4]	O[5]	3:3:3:3:2:2:	6:3:4:	6:3:	N[4]-3:N[4]-3:N[4]-3:N[4]-3:O[5]-2:O[5]-2:	Si[4,4,5]-6:C[4]-3:C-4:	Si[4,4,5]-6:C[5]-3:	Si[4,4,5](N[4]C[4]C)4(O[5]C[5])2	N[4](Si[4,4,5]N[4]3O[5]2)(C[4]C[6a]N[4])(CCCH)	O[5](Si[4,4,5]N[4]4O[5])(C[5]C[6a]C[5])	Si[4,4,5](N[4]C[4]C)4(O[5]C[5])2{4|C<3>}	N[4](Si[4,4,5]N[4]3O[5]2)(C[4]C[6a]N[4])(CCCH){3|C<4>,5|C<3>}	O[5](Si[4,4,5]N[4]4O[5])(C[5]C[6a]C[5]){4|C<4>,5|C<3>}	112.2666	31.875	8	112.2666	1016.034	8	112.2666	1016.034	8	112.2666	1016.034	8	112.2158	959.994	16	120.0091	1135.707	32
964	74	976	0:SPD6_SP2_SP2	Si[4,5,5]	N[4]	O[5]	3:2:2:2:3:3:	6:3:4:	6:3:	N[5,6]-3:O[5]-2:O[5]-2:O[5]-2:N[4]-3:N[4]-3:	Si[4,5,5]-6:C[4]-3:C-4:	Si[4,5,5]-6:C[5,6a]-3:	Si[4,5,5](N[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])3(N[4]C[4]C)2	N[4](Si[4,5,5]N[5,6]N[4]O[5]3)(C[4]C[6a]N[4])(CCCH)	O[5](Si[4,5,5]N[5,6]N[4]2O[5]2)(C[5,6a]C[5,6,6a]C[6a])	Si[4,5,5](N[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])3(N[4]C[4]C)2{1|H<1>,6|C<3>}	N[4](Si[4,5,5]N[5,6]N[4]O[5]3)(C[4]C[6a]N[4])(CCCH){1|C<4>,7|C<3>}	O[5](Si[4,5,5]N[5,6]N[4]2O[5]2)(C[5,6a]C[5,6,6a]C[6a]){1|H<1>,2|C<4>,6|C<3>}	130.4957	47.685	2	130.4957	2273.841	2	118.7099	1263.904	6	118.7099	1263.904	6	118.7099	1263.904	6	120.0091	1135.707	32
964	74	976	0:SPD6_SP2_SP2	Si[4,5,5]	N[4]	O[5]	3:2:2:2:3:3:	6:3:4:	6:3:	N[5,6]-3:O[5]-2:O[5]-2:O[5]-2:N[4]-3:N[4]-3:	Si[4,5,5]-6:C[4]-3:C-4:	Si[4,5,5]-6:C[5,6a]-3:	Si[4,5,5](N[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])3(N[4]C[4]C)2	N[4](Si[4,5,5]N[5,6]N[4]O[5]3)(C[4]C[6a]N[4])(CCCH)	O[5](Si[4,5,5]N[5,6]N[4]2O[5]2)(C[5,6a]C[5,6a]C[6a])	Si[4,5,5](N[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])3(N[4]C[4]C)2{1|H<1>,6|C<3>}	N[4](Si[4,5,5]N[5,6]N[4]O[5]3)(C[4]C[6a]N[4])(CCCH){1|C<4>,7|C<3>}	O[5](Si[4,5,5]N[5,6]N[4]2O[5]2)(C[5,6a]C[5,6a]C[6a]){1|H<1>,2|C<4>,6|C<3>}	112.8170	34.780	4	112.8170	1209.653	4	118.7099	1263.904	6	118.7099	1263.904	6	118.7099	1263.904	6	120.0091	1135.707	32
964	74	976	0:SPD6_SP2_SP2	Si[4,5]	N[4]	O[5]	3:2:3:3:1:1:	6:3:4:	6:3:	N[5,6]-3:O[5]-2:N[4]-3:N[4]-3:Br-1:Br-1:	Si[4,5]-6:C[4]-3:C-4:	Si[4,5]-6:C[5,6a]-3:	Si[4,5](N[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])(N[4]C[4]C)2(Br)2	N[4](Si[4,5]N[5,6]N[4]O[5]Br2)(C[4]C[6a]N[4])(CCCH)	O[5](Si[4,5]N[5,6]N[4]2Br2)(C[5,6a]C[5,6,6a]C[6a])	Si[4,5](N[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])(N[4]C[4]C)2(Br)2{1|H<1>,4|C<3>}	N[4](Si[4,5]N[5,6]N[4]O[5]Br2)(C[4]C[6a]N[4])(CCCH){1|C<4>,5|C<3>}	O[5](Si[4,5]N[5,6]N[4]2Br2)(C[5,6a]C[5,6,6a]C[6a]){1|H<1>,2|C<4>,4|C<3>}	133.5457	48.655	2	133.5457	2367.312	2	133.5457	2367.312	2	133.6810	1570.880	4	133.2581	1305.583	10	120.0091	1135.707	32
964	74	976	0:SPD6_SP2_SP2	Si[4,5]	N[4]	O[5]	3:2:3:3:1:1:	6:3:4:	6:3:	N[5,6]-3:O[5]-2:N[4]-3:N[4]-3:Cl-1:Cl-1:	Si[4,5]-6:C[4]-3:C-4:	Si[4,5]-6:C[5,6a]-3:	Si[4,5](N[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])(N[4]C[4]C)2(Cl)2	N[4](Si[4,5]N[5,6]N[4]O[5]Cl2)(C[4]C[6a]N[4])(CCCH)	O[5](Si[4,5]N[5,6]N[4]2Cl2)(C[5,6a]C[5,6,6a]C[6a])	Si[4,5](N[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])(N[4]C[4]C)2(Cl)2{1|H<1>,4|C<3>}	N[4](Si[4,5]N[5,6]N[4]O[5]Cl2)(C[4]C[6a]N[4])(CCCH){1|C<4>,5|C<3>}	O[5](Si[4,5]N[5,6]N[4]2Cl2)(C[5,6a]C[5,6,6a]C[6a]){1|H<1>,2|C<4>,4|C<3>}	133.8163	48.428	2	133.8163	2345.255	2	133.8163	2345.255	2	133.6810	1570.880	4	133.2581	1305.583	10	120.0091	1135.707	32
964	74	976	0:SPD6_SP2_SP2	Si[4,5]	N[4]	O[5]	3:2:3:3:2:2:	6:3:4:	3:6:	N[5,6]-3:O[5]-2:N[4]-3:N[4]-3:N-2:N-2:	Si[4,5]-6:C[4]-3:C-4:	C[5,6a]-3:Si[4,5]-6:	Si[4,5](N[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])(N[4]C[4]C)2(NC)2	N[4](Si[4,5]N[5,6]N[4]O[5]NN)(C[4]C[6a]N[4])(CCCH)	O[5](C[5,6a]C[5,6,6a]C[6a])(Si[4,5]N[5,6]N[4]2NN)	Si[4,5](N[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])(N[4]C[4]C)2(NC)2{1|H<1>,4|C<3>}	N[4](Si[4,5]N[5,6]N[4]O[5]NN)(C[4]C[6a]N[4])(CCCH){1|C<4>,5|C<3>}	O[5](C[5,6a]C[5,6,6a]C[6a])(Si[4,5]N[5,6]N[4]2NN){1|H<1>,2|C<4>,4|C<3>}	132.7270	39.536	4	132.7270	1563.061	4	132.9761	1407.282	6	132.9761	1407.282	6	133.2581	1305.583	10	120.0091	1135.707	32
964	74	976	0:SPD6_SP2_SP2	Si[4,5]	N[4]	O[5]	3:2:3:3:2:2:	6:3:4:	3:6:	N[5,6]-3:O[5]-2:N[4]-3:N[4]-3:N-2:N-2:	Si[4,5]-6:C[4]-3:C-4:	C[5,6a]-3:Si[4,5]-6:	Si[4,5](N[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])(N[4]C[4]C)2(NN)2	N[4](Si[4,5]N[5,6]N[4]O[5]NN)(C[4]C[6a]N[4])(CCCH)	O[5](C[5,6a]C[5,6,6a]C[6a])(Si[4,5]N[5,6]N[4]2NN)	Si[4,5](N[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])(N[4]C[4]C)2(NN)2{1|H<1>,4|C<3>}	N[4](Si[4,5]N[5,6]N[4]O[5]NN)(C[4]C[6a]N[4])(CCCH){1|C<4>,5|C<3>}	O[5](C[5,6a]C[5,6,6a]C[6a])(Si[4,5]N[5,6]N[4]2NN){1|H<1>,2|C<4>,4|C<3>}	133.4744	48.440	2	133.4744	2346.481	2	132.9761	1407.282	6	132.9761	1407.282	6	133.2581	1305.583	10	120.0091	1135.707	32
964	74	983	0:SPD6_SP1_SP2	Si[4,4]	N[4]	C	3:3:3:3:2:2:	6:3:4:	6:1:	N[4]-3:N[4]-3:N[4]-3:N[4]-3:C-2:C-2:	Si[4,4]-6:C[4]-3:C-4:	Si[4,4]-6:N-1:	Si[4,4](N[4]C[4]C)4(CN)2	N[4](Si[4,4]N[4]3CC)(C[4]C[6a]N[4])(CCCH)	C(Si[4,4]N[4]4C)(N)	Si[4,4](N[4]C[4]C)4(CN)2{2|C<3>}	N[4](Si[4,4]N[4]3CC)(C[4]C[6a]N[4])(CCCH){3|C<3>,3|C<4>}	C(Si[4,4]N[4]4C)(N)	112.6528	34.226	8	112.6528	1171.418	8	112.6528	1171.418	8	112.6528	1171.418	8	112.6528	1171.418	8	112.6528	1171.418	8
964	542	790	0:SPD6_SP-NON_SP2	Si[4,5]	N[5,6]	Cl	3:2:3:3:1:1:	3:6:3:	6:	N[5,6]-3:O[5]-2:N[4]-3:N[4]-3:Cl-1:Cl-1:	C[5,6,6a]-3:Si[4,5]-6:C[6]-3:	Si[4,5]-6:	Si[4,5](N[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])(N[4]C[4]C)2(Cl)2	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(Si[4,5]N[4]2O[5]Cl2)(C[6]C[6]H)	Cl(Si[4,5]N[5,6]N[4]2O[5]Cl)	Si[4,5](N[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])(N[4]C[4]C)2(Cl)2{1|H<1>,4|C<3>}	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(Si[4,5]N[4]2O[5]Cl2)(C[6]C[6]H){1|H<1>,2|C<4>,4|C<3>}	Cl(Si[4,5]N[5,6]N[4]2O[5]Cl)	131.7698	58.385	2	131.7698	3408.762	2	131.7698	3408.762	2	131.7698	3408.762	2	131.7698	3408.762	2	131.7698	3408.762	2
964	542	924	0:SPD6_SP-NON_SP2	Si[4,5]	N[5,6]	Br	3:2:3:3:1:1:	3:6:3:	6:	N[5,6]-3:O[5]-2:N[4]-3:N[4]-3:Br-1:Br-1:	C[5,6,6a]-3:Si[4,5]-6:C[6]-3:	Si[4,5]-6:	Si[4,5](N[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])(N[4]C[4]C)2(Br)2	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(Si[4,5]N[4]2O[5]Br2)(C[6]C[6]H)	Br(Si[4,5]N[5,6]N[4]2O[5]Br)	Si[4,5](N[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])(N[4]C[4]C)2(Br)2{1|H<1>,4|C<3>}	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(Si[4,5]N[4]2O[5]Br2)(C[6]C[6]H){1|H<1>,2|C<4>,4|C<3>}	Br(Si[4,5]N[5,6]N[4]2O[5]Br)	131.5735	62.417	2	131.5735	3895.885	2	131.5735	3895.885	2	131.5735	3895.885	2	131.5735	3895.885	2	131.5735	3895.885	2
964	542	941	0:SPD6_SP2_SP2	Si[4,5]	N[5,6]	N	3:2:3:3:2:2:	3:6:3:	6:2:	N[5,6]-3:O[5]-2:N[4]-3:N[4]-3:N-2:N-2:	C[5,6,6a]-3:Si[4,5]-6:C[6]-3:	Si[4,5]-6:C-2:	Si[4,5](N[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])(N[4]C[4]C)2(NC)2	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(Si[4,5]N[4]2O[5]NN)(C[6]C[6]H)	N(Si[4,5]N[5,6]N[4]2O[5]N)(CO)	Si[4,5](N[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])(N[4]C[4]C)2(NC)2{1|H<1>,4|C<3>}	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(Si[4,5]N[4]2O[5]NN)(C[6]C[6]H){1|H<1>,2|C<4>,4|C<3>}	N(Si[4,5]N[5,6]N[4]2O[5]N)(CO)	131.5004	62.453	2	131.5004	3900.317	2	130.9190	2542.264	4	131.0470	2310.004	6	131.0470	2310.004	6	131.0470	2310.004	6
964	542	941	0:SPD6_SP2_SP2	Si[4,5]	N[5,6]	N	3:2:3:3:2:2:	3:6:3:	6:2:	N[5,6]-3:O[5]-2:N[4]-3:N[4]-3:N-2:N-2:	C[5,6,6a]-3:Si[4,5]-6:C[6]-3:	Si[4,5]-6:C-2:	Si[4,5](N[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])(N[4]C[4]C)2(NC)2	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(Si[4,5]N[4]2O[5]NN)(C[6]C[6]H)	N(Si[4,5]N[5,6]N[4]2O[5]N)(CS)	Si[4,5](N[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])(N[4]C[4]C)2(NC)2{1|H<1>,4|C<3>}	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(Si[4,5]N[4]2O[5]NN)(C[6]C[6]H){1|H<1>,2|C<4>,4|C<3>}	N(Si[4,5]N[5,6]N[4]2O[5]N)(CS)	130.3376	61.034	2	130.3376	3725.122	2	130.9190	2542.264	4	131.0470	2310.004	6	131.0470	2310.004	6	131.0470	2310.004	6
964	542	941	0:SPD6_SP2_SP2	Si[4,5]	N[5,6]	N	3:2:3:3:2:2:	3:6:3:	6:2:	N[5,6]-3:O[5]-2:N[4]-3:N[4]-3:N-2:N-2:	C[5,6,6a]-3:Si[4,5]-6:C[6]-3:	Si[4,5]-6:N-2:	Si[4,5](N[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])(N[4]C[4]C)2(NN)2	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(Si[4,5]N[4]2O[5]NN)(C[6]C[6]H)	N(Si[4,5]N[5,6]N[4]2O[5]N)(NN)	Si[4,5](N[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])(N[4]C[4]C)2(NN)2{1|H<1>,4|C<3>}	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(Si[4,5]N[4]2O[5]NN)(C[6]C[6]H){1|H<1>,2|C<4>,4|C<3>}	N(Si[4,5]N[5,6]N[4]2O[5]N)(NN)	131.3030	62.634	2	131.3030	3923.031	2	131.3030	3923.031	2	131.0470	2310.004	6	131.0470	2310.004	6	131.0470	2310.004	6
964	542	976	0:SPD6_SP2_SP2	Si[4,5,5]	N[5,6]	O[5]	3:2:2:2:3:3:	3:6:3:	6:3:	N[5,6]-3:O[5]-2:O[5]-2:O[5]-2:N[4]-3:N[4]-3:	C[5,6,6a]-3:Si[4,5,5]-6:C[6]-3:	Si[4,5,5]-6:C[5,6a]-3:	Si[4,5,5](N[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])3(N[4]C[4]C)2	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(Si[4,5,5]N[4]2O[5]3)(C[6]C[6]H)	O[5](Si[4,5,5]N[5,6]N[4]2O[5]2)(C[5,6a]C[5,6a]C[6a])	Si[4,5,5](N[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])3(N[4]C[4]C)2{1|H<1>,6|C<3>}	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(Si[4,5,5]N[4]2O[5]3)(C[6]C[6]H){1|H<1>,2|C<4>,6|C<3>}	O[5](Si[4,5,5]N[5,6]N[4]2O[5]2)(C[5,6a]C[5,6a]C[6a]){1|H<1>,2|C<4>,6|C<3>}	129.1360	62.158	2	129.1360	3863.557	2	129.1360	3863.557	2	129.1360	3863.557	2	129.1360	3863.557	2	129.1360	3863.557	2
964	542	976	5:SPD6_SP2_SP2	Si[4,5,5]	N[5,6]	O[5]	3:2:2:2:3:3:	3:6:3:	6:3:	N[5,6]-3:O[5]-2:O[5]-2:O[5]-2:N[4]-3:N[4]-3:	C[5,6,6a]-3:Si[4,5,5]-6:C[6]-3:	Si[4,5,5]-6:C[5,6a]-3:	Si[4,5,5](N[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])3(N[4]C[4]C)2	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(Si[4,5,5]N[4]2O[5]3)(C[6]C[6]H)	O[5](Si[4,5,5]N[5,6]N[4]2O[5]2)(C[5,6a]C[5,6,6a]C[6a])	Si[4,5,5](N[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])3(N[4]C[4]C)2{1|H<1>,6|C<3>}	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(Si[4,5,5]N[4]2O[5]3)(C[6]C[6]H){1|H<1>,2|C<4>,6|C<3>}	O[5](Si[4,5,5]N[5,6]N[4]2O[5]2)(C[5,6a]C[5,6,6a]C[6a]){1|H<1>,2|C<4>,6|C<3>}	84.2216	0.000	1	84.2216	0.000	1	84.2216	0.000	1	84.2216	0.000	1	84.2216	0.000	1	84.6515	0.131	6
964	542	976	5:SPD6_SP2_SP2	Si[4,5]	N[5,6]	O[5]	3:2:3:3:1:1:	3:6:3:	6:3:	N[5,6]-3:O[5]-2:N[4]-3:N[4]-3:Br-1:Br-1:	C[5,6,6a]-3:Si[4,5]-6:C[6]-3:	Si[4,5]-6:C[5,6a]-3:	Si[4,5](N[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])(N[4]C[4]C)2(Br)2	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(Si[4,5]N[4]2O[5]Br2)(C[6]C[6]H)	O[5](Si[4,5]N[5,6]N[4]2Br2)(C[5,6a]C[5,6,6a]C[6a])	Si[4,5](N[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])(N[4]C[4]C)2(Br)2{1|H<1>,4|C<3>}	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(Si[4,5]N[4]2O[5]Br2)(C[6]C[6]H){1|H<1>,2|C<4>,4|C<3>}	O[5](Si[4,5]N[5,6]N[4]2Br2)(C[5,6a]C[5,6,6a]C[6a]){1|H<1>,2|C<4>,4|C<3>}	85.1756	0.000	1	85.1756	0.000	1	85.1756	0.000	1	85.0479	0.033	2	84.7375	0.108	5	84.6515	0.131	6
964	542	976	5:SPD6_SP2_SP2	Si[4,5]	N[5,6]	O[5]	3:2:3:3:1:1:	3:6:3:	6:3:	N[5,6]-3:O[5]-2:N[4]-3:N[4]-3:Cl-1:Cl-1:	C[5,6,6a]-3:Si[4,5]-6:C[6]-3:	Si[4,5]-6:C[5,6a]-3:	Si[4,5](N[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])(N[4]C[4]C)2(Cl)2	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(Si[4,5]N[4]2O[5]Cl2)(C[6]C[6]H)	O[5](Si[4,5]N[5,6]N[4]2Cl2)(C[5,6a]C[5,6,6a]C[6a])	Si[4,5](N[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])(N[4]C[4]C)2(Cl)2{1|H<1>,4|C<3>}	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(Si[4,5]N[4]2O[5]Cl2)(C[6]C[6]H){1|H<1>,2|C<4>,4|C<3>}	O[5](Si[4,5]N[5,6]N[4]2Cl2)(C[5,6a]C[5,6,6a]C[6a]){1|H<1>,2|C<4>,4|C<3>}	84.9201	0.000	1	84.9201	0.000	1	84.9201	0.000	1	85.0479	0.033	2	84.7375	0.108	5	84.6515	0.131	6
964	542	976	5:SPD6_SP2_SP2	Si[4,5]	N[5,6]	O[5]	3:2:3:3:2:2:	3:6:3:	3:6:	N[5,6]-3:O[5]-2:N[4]-3:N[4]-3:N-2:N-2:	C[5,6,6a]-3:Si[4,5]-6:C[6]-3:	C[5,6a]-3:Si[4,5]-6:	Si[4,5](N[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])(N[4]C[4]C)2(NC)2	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(Si[4,5]N[4]2O[5]NN)(C[6]C[6]H)	O[5](C[5,6a]C[5,6,6a]C[6a])(Si[4,5]N[5,6]N[4]2NN)	Si[4,5](N[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])(N[4]C[4]C)2(NC)2{1|H<1>,4|C<3>}	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(Si[4,5]N[4]2O[5]NN)(C[6]C[6]H){1|H<1>,2|C<4>,4|C<3>}	O[5](C[5,6a]C[5,6,6a]C[6a])(Si[4,5]N[5,6]N[4]2NN){1|H<1>,2|C<4>,4|C<3>}	84.5795	0.255	2	84.5795	0.065	2	84.5306	0.040	3	84.5306	0.040	3	84.7375	0.108	5	84.6515	0.131	6
964	542	976	5:SPD6_SP2_SP2	Si[4,5]	N[5,6]	O[5]	3:2:3:3:2:2:	3:6:3:	3:6:	N[5,6]-3:O[5]-2:N[4]-3:N[4]-3:N-2:N-2:	C[5,6,6a]-3:Si[4,5]-6:C[6]-3:	C[5,6a]-3:Si[4,5]-6:	Si[4,5](N[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])(N[4]C[4]C)2(NN)2	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(Si[4,5]N[4]2O[5]NN)(C[6]C[6]H)	O[5](C[5,6a]C[5,6,6a]C[6a])(Si[4,5]N[5,6]N[4]2NN)	Si[4,5](N[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])(N[4]C[4]C)2(NN)2{1|H<1>,4|C<3>}	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(Si[4,5]N[4]2O[5]NN)(C[6]C[6]H){1|H<1>,2|C<4>,4|C<3>}	O[5](C[5,6a]C[5,6,6a]C[6a])(Si[4,5]N[5,6]N[4]2NN){1|H<1>,2|C<4>,4|C<3>}	84.4329	0.000	1	84.4329	0.000	1	84.5306	0.040	3	84.5306	0.040	3	84.7375	0.108	5	84.6515	0.131	6
964	790	790	0:SPD6_SP-NON_SP-NON	Si[4,4]	Cl	Cl	2:2:2:2:1:1:	6:	6:	S[4]-2:S[4]-2:S[4]-2:S[4]-2:Cl-1:Cl-1:	Si[4,4]-6:	Si[4,4]-6:	Si[4,4](S[4]C[4])4(Cl)2	Cl(Si[4,4]S[4]4Cl)	Cl(Si[4,4]S[4]4Cl)	Si[4,4](S[4]C[4])4(Cl)2{2|N<3>}	Cl(Si[4,4]S[4]4Cl)	Cl(Si[4,4]S[4]4Cl)	92.1500	0.000	1	92.1500	0.000	1	92.1500	0.000	1	92.1500	0.000	1	92.7024	0.769	4	92.8663	0.711	5
964	790	790	0:SPD6_SP-NON_SP-NON	Si[4,4]	Cl	Cl	3:3:2:2:1:1:	6:	6:	N[4,6]-3:N[4,6]-3:S[4]-2:S[4]-2:Cl-1:Cl-1:	Si[4,4]-6:	Si[4,4]-6:	Si[4,4](N[4,6]C[4,6]C[6])2(S[4]C[4,6])2(Cl)2	Cl(Si[4,4]N[4,6]2S[4]2Cl)	Cl(Si[4,4]N[4,6]2S[4]2Cl)	Si[4,4](N[4,6]C[4,6]C[6])2(S[4]C[4,6])2(Cl)2{2|H<1>,4|C<3>}	Cl(Si[4,4]N[4,6]2S[4]2Cl)	Cl(Si[4,4]N[4,6]2S[4]2Cl)	93.6915	0.000	1	93.6915	0.000	1	93.6915	0.000	1	93.6915	0.000	1	92.7024	0.769	4	92.8663	0.711	5
964	790	790	0:SPD6_SP-NON_SP-NON	Si[4,4]	Cl	Cl	3:3:3:3:1:1:	6:	6:	N[4]-3:N[4]-3:N[4]-3:N[4]-3:Cl-1:Cl-1:	Si[4,4]-6:	Si[4,4]-6:	Si[4,4](N[4]C[4]C)4(Cl)2	Cl(Si[4,4]N[4]4Cl)	Cl(Si[4,4]N[4]4Cl)	Si[4,4](N[4]C[4]C)4(Cl)2{2|C<3>}	Cl(Si[4,4]N[4]4Cl)	Cl(Si[4,4]N[4]4Cl)	91.8025	0.000	1	91.8025	0.000	1	92.4840	0.929	2	92.4840	0.929	2	92.7024	0.769	4	92.8663	0.711	5
964	790	790	0:SPD6_SP-NON_SP-NON	Si[4,4]	Cl	Cl	3:3:3:3:1:1:	6:	6:	N[4]-3:N[4]-3:N[4]-3:N[4]-3:Cl-1:Cl-1:	Si[4,4]-6:	Si[4,4]-6:	Si[4,4](N[4]C[4]Si)4(Cl)2	Cl(Si[4,4]N[4]4Cl)	Cl(Si[4,4]N[4]4Cl)	Si[4,4](N[4]C[4]Si)4(Cl)2{2|C<3>}	Cl(Si[4,4]N[4]4Cl)	Cl(Si[4,4]N[4]4Cl)	93.1655	0.000	1	93.1655	0.000	1	92.4840	0.929	2	92.4840	0.929	2	92.7024	0.769	4	92.8663	0.711	5
964	790	790	0:SPD6_SP-NON_SP-NON	Si[4,5]	Cl	Cl	3:2:3:3:1:1:	6:	6:	N[5,6]-3:O[5]-2:N[4]-3:N[4]-3:Cl-1:Cl-1:	Si[4,5]-6:	Si[4,5]-6:	Si[4,5](N[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])(N[4]C[4]C)2(Cl)2	Cl(Si[4,5]N[5,6]N[4]2O[5]Cl)	Cl(Si[4,5]N[5,6]N[4]2O[5]Cl)	Si[4,5](N[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])(N[4]C[4]C)2(Cl)2{1|H<1>,4|C<3>}	Cl(Si[4,5]N[5,6]N[4]2O[5]Cl)	Cl(Si[4,5]N[5,6]N[4]2O[5]Cl)	93.5219	0.000	1	93.5219	0.000	1	93.5219	0.000	1	93.5219	0.000	1	93.5219	0.000	1	92.8663	0.711	5
964	790	866	0:SPD6_SP-NON_SP2	Si[4,4]	Cl	S[4]	2:2:2:2:1:1:	6:	6:3:	S[4]-2:S[4]-2:S[4]-2:S[4]-2:Cl-1:Cl-1:	Si[4,4]-6:	Si[4,4]-6:C[4]-3:	Si[4,4](S[4]C[4])4(Cl)2	Cl(Si[4,4]S[4]4Cl)	S[4](Si[4,4]S[4]3Cl2)(C[4]S[4]N)	Si[4,4](S[4]C[4])4(Cl)2{2|N<3>}	Cl(Si[4,4]S[4]4Cl)	S[4](Si[4,4]S[4]3Cl2)(C[4]S[4]N){1|C<3>}	113.0262	34.885	8	113.0262	1216.972	8	113.0262	1216.972	8	113.0262	1216.972	8	107.2538	849.563	12	107.2538	849.563	12
964	790	866	0:SPD6_SP-NON_SP2	Si[4,4]	Cl	S[4]	3:3:2:2:1:1:	6:	6:3:	N[4,6]-3:N[4,6]-3:S[4]-2:S[4]-2:Cl-1:Cl-1:	Si[4,4]-6:	Si[4,4]-6:C[4,6]-3:	Si[4,4](N[4,6]C[4,6]C[6])2(S[4]C[4,6])2(Cl)2	Cl(Si[4,4]N[4,6]2S[4]2Cl)	S[4](Si[4,4]N[4,6]2S[4]Cl2)(C[4,6]N[4,6]C[6])	Si[4,4](N[4,6]C[4,6]C[6])2(S[4]C[4,6])2(Cl)2{2|H<1>,4|C<3>}	Cl(Si[4,4]N[4,6]2S[4]2Cl)	S[4](Si[4,4]N[4,6]2S[4]Cl2)(C[4,6]N[4,6]C[6]){1|H<1>,4|C<3>}	95.7089	2.982	4	95.7089	8.894	4	95.7089	8.894	4	95.7089	8.894	4	107.2538	849.563	12	107.2538	849.563	12
964	790	976	0:SPD6_SP-NON_SP2	Si[4,5]	Cl	O[5]	3:2:3:3:1:1:	6:	6:3:	N[5,6]-3:O[5]-2:N[4]-3:N[4]-3:Cl-1:Cl-1:	Si[4,5]-6:	Si[4,5]-6:C[5,6a]-3:	Si[4,5](N[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])(N[4]C[4]C)2(Cl)2	Cl(Si[4,5]N[5,6]N[4]2O[5]Cl)	O[5](Si[4,5]N[5,6]N[4]2Cl2)(C[5,6a]C[5,6,6a]C[6a])	Si[4,5](N[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])(N[4]C[4]C)2(Cl)2{1|H<1>,4|C<3>}	Cl(Si[4,5]N[5,6]N[4]2O[5]Cl)	O[5](Si[4,5]N[5,6]N[4]2Cl2)(C[5,6a]C[5,6,6a]C[6a]){1|H<1>,2|C<4>,4|C<3>}	92.3171	4.633	2	92.3171	21.464	2	92.3171	21.464	2	92.3171	21.464	2	92.3171	21.464	2	92.3171	21.464	2
964	830	830	0:SPD6_SP-NON_SP-NON	Si[4,4]	F	F	3:3:3:3:1:1:	6:	6:	N[4]-3:N[4]-3:N[4]-3:N[4]-3:F-1:F-1:	Si[4,4]-6:	Si[4,4]-6:	Si[4,4](N[4]C[4]C)4(F)2	F(Si[4,4]N[4]4F)	F(Si[4,4]N[4]4F)	Si[4,4](N[4]C[4]C)4(F)2{2|C<3>}	F(Si[4,4]N[4]4F)	F(Si[4,4]N[4]4F)	93.2828	0.000	1	93.2828	0.000	1	93.2828	0.000	1	93.2828	0.000	1	93.2828	0.000	1	93.2828	0.000	1
964	866	866	0:SPD6_SP2_SP2	Si[4,4]	S[4]	S[4]	2:2:2:2:1:1:	6:3:	6:3:	S[4]-2:S[4]-2:S[4]-2:S[4]-2:Cl-1:Cl-1:	Si[4,4]-6:C[4]-3:	Si[4,4]-6:C[4]-3:	Si[4,4](S[4]C[4])4(Cl)2	S[4](Si[4,4]S[4]3Cl2)(C[4]S[4]N)	S[4](Si[4,4]S[4]3Cl2)(C[4]S[4]N)	Si[4,4](S[4]C[4])4(Cl)2{2|N<3>}	S[4](Si[4,4]S[4]3Cl2)(C[4]S[4]N){1|C<3>}	S[4](Si[4,4]S[4]3Cl2)(C[4]S[4]N){1|C<3>}	108.0032	36.377	4	108.0032	1323.289	4	108.0032	1323.289	4	108.0032	1323.289	4	119.0604	1603.771	5	119.0604	1603.771	5
964	866	866	0:SPD6_SP2_SP2	Si[4,4]	S[4]	S[4]	3:3:2:2:1:1:	6:3:	6:3:	N[4,6]-3:N[4,6]-3:S[4]-2:S[4]-2:Cl-1:Cl-1:	Si[4,4]-6:C[4,6]-3:	Si[4,4]-6:C[4,6]-3:	Si[4,4](N[4,6]C[4,6]C[6])2(S[4]C[4,6])2(Cl)2	S[4](Si[4,4]N[4,6]2S[4]Cl2)(C[4,6]N[4,6]C[6])	S[4](Si[4,4]N[4,6]2S[4]Cl2)(C[4,6]N[4,6]C[6])	Si[4,4](N[4,6]C[4,6]C[6])2(S[4]C[4,6])2(Cl)2{2|H<1>,4|C<3>}	S[4](Si[4,4]N[4,6]2S[4]Cl2)(C[4,6]N[4,6]C[6]){1|H<1>,4|C<3>}	S[4](Si[4,4]N[4,6]2S[4]Cl2)(C[4,6]N[4,6]C[6]){1|H<1>,4|C<3>}	163.2890	0.000	1	163.2890	0.000	1	163.2890	0.000	1	163.2890	0.000	1	119.0604	1603.771	5	119.0604	1603.771	5
964	866	866	4:SPD6_SP2_SP2	Si[4,4]	S[4]	S[4]	2:2:2:2:1:1:	6:3:	6:3:	S[4]-2:S[4]-2:S[4]-2:S[4]-2:Cl-1:Cl-1:	Si[4,4]-6:C[4]-3:	Si[4,4]-6:C[4]-3:	Si[4,4](S[4]C[4])4(Cl)2	S[4](Si[4,4]S[4]3Cl2)(C[4]S[4]N)	S[4](Si[4,4]S[4]3Cl2)(C[4]S[4]N)	Si[4,4](S[4]C[4])4(Cl)2{2|N<3>}	S[4](Si[4,4]S[4]3Cl2)(C[4]S[4]N){1|C<3>}	S[4](Si[4,4]S[4]3Cl2)(C[4]S[4]N){1|C<3>}	76.8024	0.053	2	76.8024	0.003	2	76.8024	0.003	2	76.8024	0.003	2	76.8024	0.003	2	76.8024	0.003	2
964	924	924	0:SPD6_SP-NON_SP-NON	Si[4,5]	Br	Br	3:2:3:3:1:1:	6:	6:	N[5,6]-3:O[5]-2:N[4]-3:N[4]-3:Br-1:Br-1:	Si[4,5]-6:	Si[4,5]-6:	Si[4,5](N[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])(N[4]C[4]C)2(Br)2	Br(Si[4,5]N[5,6]N[4]2O[5]Br)	Br(Si[4,5]N[5,6]N[4]2O[5]Br)	Si[4,5](N[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])(N[4]C[4]C)2(Br)2{1|H<1>,4|C<3>}	Br(Si[4,5]N[5,6]N[4]2O[5]Br)	Br(Si[4,5]N[5,6]N[4]2O[5]Br)	92.4255	0.000	1	92.4255	0.000	1	92.4255	0.000	1	92.4255	0.000	1	92.4255	0.000	1	92.4255	0.000	1
964	924	976	0:SPD6_SP-NON_SP2	Si[4,5]	Br	O[5]	3:2:3:3:1:1:	6:	6:3:	N[5,6]-3:O[5]-2:N[4]-3:N[4]-3:Br-1:Br-1:	Si[4,5]-6:	Si[4,5]-6:C[5,6a]-3:	Si[4,5](N[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])(N[4]C[4]C)2(Br)2	Br(Si[4,5]N[5,6]N[4]2O[5]Br)	O[5](Si[4,5]N[5,6]N[4]2Br2)(C[5,6a]C[5,6,6a]C[6a])	Si[4,5](N[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])(N[4]C[4]C)2(Br)2{1|H<1>,4|C<3>}	Br(Si[4,5]N[5,6]N[4]2O[5]Br)	O[5](Si[4,5]N[5,6]N[4]2Br2)(C[5,6a]C[5,6,6a]C[6a]){1|H<1>,2|C<4>,4|C<3>}	92.8652	3.251	2	92.8652	10.567	2	92.8652	10.567	2	92.8652	10.567	2	92.8652	10.567	2	92.8652	10.567	2
964	941	941	0:SPD6_SP2_SP2	Si[4,4]	N	N	3:3:3:3:2:2:	6:2:	6:2:	N[4]-3:N[4]-3:N[4]-3:N[4]-3:N-2:N-2:	Si[4,4]-6:C-2:	Si[4,4]-6:C-2:	Si[4,4](N[4]C[4]C)4(NC)2	N(Si[4,4]N[4]4N)(CO)	N(Si[4,4]N[4]4N)(CO)	Si[4,4](N[4]C[4]C)4(NC)2{2|C<3>}	N(Si[4,4]N[4]4N)(CO)	N(Si[4,4]N[4]4N)(CO)	92.1241	0.000	1	92.1241	0.000	1	91.9231	0.081	2	91.9231	0.081	2	91.9231	0.081	2	92.4320	0.258	5
964	941	941	0:SPD6_SP2_SP2	Si[4,4]	N	N	3:3:3:3:2:2:	6:2:	6:2:	N[4]-3:N[4]-3:N[4]-3:N[4]-3:N-2:N-2:	Si[4,4]-6:C-2:	Si[4,4]-6:C-2:	Si[4,4](N[4]C[4]C)4(NC)2	N(Si[4,4]N[4]4N)(CS)	N(Si[4,4]N[4]4N)(CS)	Si[4,4](N[4]C[4]C)4(NC)2{2|C<3>}	N(Si[4,4]N[4]4N)(CS)	N(Si[4,4]N[4]4N)(CS)	91.7221	0.000	1	91.7221	0.000	1	91.9231	0.081	2	91.9231	0.081	2	91.9231	0.081	2	92.4320	0.258	5
964	941	941	0:SPD6_SP2_SP2	Si[4,5]	N	N	3:2:3:3:2:2:	6:2:	6:2:	N[5,6]-3:O[5]-2:N[4]-3:N[4]-3:N-2:N-2:	Si[4,5]-6:C-2:	Si[4,5]-6:C-2:	Si[4,5](N[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])(N[4]C[4]C)2(NC)2	N(Si[4,5]N[5,6]N[4]2O[5]N)(CO)	N(Si[4,5]N[5,6]N[4]2O[5]N)(CO)	Si[4,5](N[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])(N[4]C[4]C)2(NC)2{1|H<1>,4|C<3>}	N(Si[4,5]N[5,6]N[4]2O[5]N)(CO)	N(Si[4,5]N[5,6]N[4]2O[5]N)(CO)	92.7945	0.000	1	92.7945	0.000	1	92.6737	0.029	2	92.7712	0.043	3	92.7712	0.043	3	92.4320	0.258	5
964	941	941	0:SPD6_SP2_SP2	Si[4,5]	N	N	3:2:3:3:2:2:	6:2:	6:2:	N[5,6]-3:O[5]-2:N[4]-3:N[4]-3:N-2:N-2:	Si[4,5]-6:C-2:	Si[4,5]-6:C-2:	Si[4,5](N[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])(N[4]C[4]C)2(NC)2	N(Si[4,5]N[5,6]N[4]2O[5]N)(CS)	N(Si[4,5]N[5,6]N[4]2O[5]N)(CS)	Si[4,5](N[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])(N[4]C[4]C)2(NC)2{1|H<1>,4|C<3>}	N(Si[4,5]N[5,6]N[4]2O[5]N)(CS)	N(Si[4,5]N[5,6]N[4]2O[5]N)(CS)	92.5530	0.000	1	92.5530	0.000	1	92.6737	0.029	2	92.7712	0.043	3	92.7712	0.043	3	92.4320	0.258	5
964	941	941	0:SPD6_SP2_SP2	Si[4,5]	N	N	3:2:3:3:2:2:	6:2:	6:2:	N[5,6]-3:O[5]-2:N[4]-3:N[4]-3:N-2:N-2:	Si[4,5]-6:N-2:	Si[4,5]-6:N-2:	Si[4,5](N[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])(N[4]C[4]C)2(NN)2	N(Si[4,5]N[5,6]N[4]2O[5]N)(NN)	N(Si[4,5]N[5,6]N[4]2O[5]N)(NN)	Si[4,5](N[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])(N[4]C[4]C)2(NN)2{1|H<1>,4|C<3>}	N(Si[4,5]N[5,6]N[4]2O[5]N)(NN)	N(Si[4,5]N[5,6]N[4]2O[5]N)(NN)	92.9661	0.000	1	92.9661	0.000	1	92.9661	0.000	1	92.7712	0.043	3	92.7712	0.043	3	92.4320	0.258	5
964	941	976	0:SPD6_SP2_SP2	Si[4,5]	N	O[5]	3:2:3:3:2:2:	6:2:	3:6:	N[5,6]-3:O[5]-2:N[4]-3:N[4]-3:N-2:N-2:	Si[4,5]-6:C-2:	C[5,6a]-3:Si[4,5]-6:	Si[4,5](N[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])(N[4]C[4]C)2(NC)2	N(Si[4,5]N[5,6]N[4]2O[5]N)(CO)	O[5](C[5,6a]C[5,6,6a]C[6a])(Si[4,5]N[5,6]N[4]2NN)	Si[4,5](N[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])(N[4]C[4]C)2(NC)2{1|H<1>,4|C<3>}	N(Si[4,5]N[5,6]N[4]2O[5]N)(CO)	O[5](C[5,6a]C[5,6,6a]C[6a])(Si[4,5]N[5,6]N[4]2NN){1|H<1>,2|C<4>,4|C<3>}	93.4891	3.134	2	93.4891	9.824	2	92.5339	9.708	4	92.9385	8.834	6	92.9385	8.834	6	92.9385	8.834	6
964	941	976	0:SPD6_SP2_SP2	Si[4,5]	N	O[5]	3:2:3:3:2:2:	6:2:	3:6:	N[5,6]-3:O[5]-2:N[4]-3:N[4]-3:N-2:N-2:	Si[4,5]-6:C-2:	C[5,6a]-3:Si[4,5]-6:	Si[4,5](N[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])(N[4]C[4]C)2(NC)2	N(Si[4,5]N[5,6]N[4]2O[5]N)(CS)	O[5](C[5,6a]C[5,6,6a]C[6a])(Si[4,5]N[5,6]N[4]2NN)	Si[4,5](N[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])(N[4]C[4]C)2(NC)2{1|H<1>,4|C<3>}	N(Si[4,5]N[5,6]N[4]2O[5]N)(CS)	O[5](C[5,6a]C[5,6,6a]C[6a])(Si[4,5]N[5,6]N[4]2NN){1|H<1>,2|C<4>,4|C<3>}	91.5787	3.956	2	91.5787	15.649	2	92.5339	9.708	4	92.9385	8.834	6	92.9385	8.834	6	92.9385	8.834	6
964	941	976	0:SPD6_SP2_SP2	Si[4,5]	N	O[5]	3:2:3:3:2:2:	6:2:	3:6:	N[5,6]-3:O[5]-2:N[4]-3:N[4]-3:N-2:N-2:	Si[4,5]-6:N-2:	C[5,6a]-3:Si[4,5]-6:	Si[4,5](N[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])(N[4]C[4]C)2(NN)2	N(Si[4,5]N[5,6]N[4]2O[5]N)(NN)	O[5](C[5,6a]C[5,6,6a]C[6a])(Si[4,5]N[5,6]N[4]2NN)	Si[4,5](N[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])(N[4]C[4]C)2(NN)2{1|H<1>,4|C<3>}	N(Si[4,5]N[5,6]N[4]2O[5]N)(NN)	O[5](C[5,6a]C[5,6,6a]C[6a])(Si[4,5]N[5,6]N[4]2NN){1|H<1>,2|C<4>,4|C<3>}	93.7476	3.617	2	93.7476	13.085	2	93.7476	13.085	2	92.9385	8.834	6	92.9385	8.834	6	92.9385	8.834	6
964	976	976	0:SPD6_SP2_SP2	Si[4,5,5]	O[5]	O[5]	3:2:2:2:3:3:	6:3:	6:3:	N[5,6]-3:O[5]-2:O[5]-2:O[5]-2:N[4]-3:N[4]-3:	Si[4,5,5]-6:C[5,6a]-3:	Si[4,5,5]-6:C[5,6a]-3:	Si[4,5,5](N[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])3(N[4]C[4]C)2	O[5](Si[4,5,5]N[5,6]N[4]2O[5]2)(C[5,6a]C[5,6,6a]C[6a])	O[5](Si[4,5,5]N[5,6]N[4]2O[5]2)(C[5,6a]C[5,6a]C[6a])	Si[4,5,5](N[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])3(N[4]C[4]C)2{1|H<1>,6|C<3>}	O[5](Si[4,5,5]N[5,6]N[4]2O[5]2)(C[5,6a]C[5,6,6a]C[6a]){1|H<1>,2|C<4>,6|C<3>}	O[5](Si[4,5,5]N[5,6]N[4]2O[5]2)(C[5,6a]C[5,6a]C[6a]){1|H<1>,2|C<4>,6|C<3>}	93.9759	4.989	2	93.9759	24.891	2	93.9759	24.891	2	93.9759	24.891	2	93.9759	24.891	2	93.9759	24.891	2
964	976	976	5:SPD6_SP2_SP2	Si[4,4,5]	O[5]	O[5]	2:2:3:3:3:3:	3:6:	3:6:	O[5]-2:O[5]-2:N[4]-3:N[4]-3:N[4]-3:N[4]-3:	C[5,6a]-3:Si[4,4,5]-6:	C[5,6a]-3:Si[4,4,5]-6:	Si[4,4,5](O[5]C[5,6a])2(N[4]C[4]C)4	O[5](C[5,6a]C[5,6a]C[6a])(Si[4,4,5]N[4]4O[5])	O[5](C[5,6a]C[5,6a]C[6a])(Si[4,4,5]N[4]4O[5])	Si[4,4,5](O[5]C[5,6a])2(N[4]C[4]C)4{4|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(Si[4,4,5]N[4]4O[5]){1|H<1>,4|C<3>,4|C<4>}	O[5](C[5,6a]C[5,6a]C[6a])(Si[4,4,5]N[4]4O[5]){4|C<3>,5|C<4>}	90.8639	0.000	1	90.8639	0.000	1	90.8639	0.000	1	90.8639	0.000	1	90.2686	0.709	2	90.5698	0.627	3
964	976	976	5:SPD6_SP2_SP2	Si[4,4,5]	O[5]	O[5]	3:3:3:3:2:2:	6:3:	6:3:	N[4]-3:N[4]-3:N[4]-3:N[4]-3:O[5]-2:O[5]-2:	Si[4,4,5]-6:C[5]-3:	Si[4,4,5]-6:C[5]-3:	Si[4,4,5](N[4]C[4]C)4(O[5]C[5])2	O[5](Si[4,4,5]N[4]4O[5])(C[5]C[6a]C[5])	O[5](Si[4,4,5]N[4]4O[5])(C[5]C[6a]C[5])	Si[4,4,5](N[4]C[4]C)4(O[5]C[5])2{4|C<3>}	O[5](Si[4,4,5]N[4]4O[5])(C[5]C[6a]C[5]){4|C<4>,5|C<3>}	O[5](Si[4,4,5]N[4]4O[5])(C[5]C[6a]C[5]){4|C<4>,5|C<3>}	89.6732	0.000	1	89.6732	0.000	1	89.6732	0.000	1	89.6732	0.000	1	90.2686	0.709	2	90.5698	0.627	3
964	976	976	5:SPD6_SP2_SP2	Si[4,5,5]	O[5]	O[5]	3:2:2:2:3:3:	6:3:	6:3:	N[5,6]-3:O[5]-2:O[5]-2:O[5]-2:N[4]-3:N[4]-3:	Si[4,5,5]-6:C[5,6a]-3:	Si[4,5,5]-6:C[5,6a]-3:	Si[4,5,5](N[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])3(N[4]C[4]C)2	O[5](Si[4,5,5]N[5,6]N[4]2O[5]2)(C[5,6a]C[5,6a]C[6a])	O[5](Si[4,5,5]N[5,6]N[4]2O[5]2)(C[5,6a]C[5,6a]C[6a])	Si[4,5,5](N[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])3(N[4]C[4]C)2{1|H<1>,6|C<3>}	O[5](Si[4,5,5]N[5,6]N[4]2O[5]2)(C[5,6a]C[5,6a]C[6a]){1|H<1>,2|C<4>,6|C<3>}	O[5](Si[4,5,5]N[5,6]N[4]2O[5]2)(C[5,6a]C[5,6a]C[6a]){1|H<1>,2|C<4>,6|C<3>}	91.1722	0.000	1	91.1722	0.000	1	91.1722	0.000	1	91.1722	0.000	1	91.1722	0.000	1	90.5698	0.627	3
964	983	983	0:SPD6_SP1_SP1	Si[4,4]	C	C	3:3:3:3:2:2:	6:1:	6:1:	N[4]-3:N[4]-3:N[4]-3:N[4]-3:C-2:C-2:	Si[4,4]-6:N-1:	Si[4,4]-6:N-1:	Si[4,4](N[4]C[4]C)4(CN)2	C(Si[4,4]N[4]4C)(N)	C(Si[4,4]N[4]4C)(N)	Si[4,4](N[4]C[4]C)4(CN)2{2|C<3>}	C(Si[4,4]N[4]4C)(N)	C(Si[4,4]N[4]4C)(N)	90.5491	0.000	1	90.5491	0.000	1	90.5491	0.000	1	90.5491	0.000	1	90.5491	0.000	1	90.5491	0.000	1
965	106	466	6:SP1_SP2_SP3	Si[6]	Si[6]	C[6]	4:3:	4:2:4:	4:2:4:4:	C[6]-4:Si[6]-3:	C[6]-4:Si[6]-2:Si-4:	C[6]-4:Si[6]-2:Si-4:Si-4:	Si[6](C[6]C[6]Si2)(Si[6]C[6]Si)	Si[6](C[6]C[6]Si2)(Si[6]C[6])(SiC3)	C[6](C[6]C[6]HH)(Si[6]Si[6])(SiC3)2	Si[6](C[6]C[6]Si2)(Si[6]C[6]Si){2|Si<4>,1|C<4>,2|H<1>}	Si[6](C[6]C[6]Si2)(Si[6]C[6])(SiC3){2|Si<4>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(Si[6]Si[6])(SiC3)2{1|Si<4>,1|C<4>,2|H<1>}	101.7430	0.000	1	101.7430	0.000	1	101.7430	0.000	1	101.7430	0.000	1	101.7430	0.000	1	101.7430	0.000	1
965	856	856	6:SP1_SP2_SP2	Si[6]	N[6]	N[6]	3:3:	3:3:2:	3:3:2:	N[6]-3:N[6]-3:	C[6a]-3:C[6]-3:Si[6]-2:	C[6a]-3:C[6]-3:Si[6]-2:	Si[6](N[6]C[6a]C[6])2	N[6](C[6a]C[6a]2)(C[6]C[6]C)(Si[6]N[6])	N[6](C[6a]C[6a]2)(C[6]C[6]C)(Si[6]N[6])	Si[6](N[6]C[6a]C[6])2{1|C<4>,6|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(Si[6]N[6]){1|H<1>,2|C<4>,4|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(Si[6]N[6]){1|H<1>,2|C<4>,4|C<3>}	99.3173	0.000	1	99.3173	0.000	1	99.3173	0.000	1	99.3173	0.000	1	99.3173	0.000	1	99.3173	0.000	1
966	856	856	6:SP2_SP2_SP2	As[6]	N[6]	N[6]	3:3:	3:3:2:	3:3:2:	N[6]-3:N[6]-3:	As[6]-3:C[6a]-3:As[6]-2:	As[6]-3:C[6a]-3:As[6]-2:	As[6](N[6]As[6]C[6a])2	N[6](As[6]N[6]Cl)(C[6a]C[6a]2)(As[6]N[6])	N[6](As[6]N[6]Cl)(C[6a]C[6a]2)(As[6]N[6])	As[6](N[6]As[6]C[6a])2{2|Cl<1>,1|N<3>,4|C<3>}	N[6](As[6]N[6]Cl)(C[6a]C[6a]2)(As[6]N[6]){1|As<3>,2|C<4>,4|C<3>}	N[6](As[6]N[6]Cl)(C[6a]C[6a]2)(As[6]N[6]){1|As<3>,2|C<4>,4|C<3>}	103.8020	0.000	1	103.8020	0.000	1	103.8020	0.000	1	98.1207	64.554	2	98.1207	64.554	2	98.1207	64.554	2
966	856	856	6:SP2_SP2_SP2	As[6]	N[6]	N[6]	3:3:	3:3:2:	3:3:2:	N[6]-3:N[6]-3:	C[6a]-3:C[6]-3:As[6]-2:	C[6a]-3:C[6]-3:As[6]-2:	As[6](N[6]C[6a]C[6])2	N[6](C[6a]C[6a]2)(C[6]C[6]H)(As[6]N[6])	N[6](C[6a]C[6a]2)(C[6]C[6]H)(As[6]N[6])	As[6](N[6]C[6a]C[6])2{2|H<1>,5|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]H)(As[6]N[6]){2|C<4>,5|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]H)(As[6]N[6]){2|C<4>,5|C<3>}	92.4394	0.000	1	92.4394	0.000	1	92.4394	0.000	1	98.1207	64.554	2	98.1207	64.554	2	98.1207	64.554	2
966	942	942	6:SP2_SP-NON_SP-NON	As[6]	Ga[6]	Ga[6]	3:3:	2:2:1:	2:2:1:	Ga[6]-3:Ga[6]-3:	As[6]-2:As[6]-2:As-1:	As[6]-2:As[6]-2:As-1:	As[6](Ga[6]As[6]As)2	Ga[6](As[6]Ga[6])2(As)	Ga[6](As[6]Ga[6])2(As)	As[6](Ga[6]As[6]As)2{1|Ga<3>}	Ga[6](As[6]Ga[6])2(As){1|As<2>,2|As<1>}	Ga[6](As[6]Ga[6])2(As){1|As<2>,2|As<1>}	115.1993	2.285	3	115.1993	5.220	3	115.1993	5.220	3	115.1993	5.220	3	115.1993	5.220	3	115.1993	5.220	3