930	863	977	0:SP2_SP-NON_SP2	C	O	S	3:1:1:	3:	3:	C[6a]-3:O-1:S-1:	C-3:	C-3:	C(C[6a]C[6a]2)(O)(S)	O(CC[6a]S)	S(CC[6a]O)	C(C[6a]C[6a]2)(O)(S)	O(CC[6a]S)	S(CC[6a]O)	126.0220	0.832	2	126.0220	0.691	2	126.0220	0.691	2	126.0220	0.691	2	126.5013	0.414	7	126.5013	0.414	7
930	863	977	0:SP2_SP-NON_SP2	C	O	S	4:1:1:	3:	3:	C-4:O-1:S-1:	C-3:	C-3:	C(CC[5]HH)(O)(S)	O(CCS)	S(CCO)	C(CC[5]HH)(O)(S)	O(CCS)	S(CCO)	126.4733	0.510	3	126.4733	0.260	3	126.4733	0.260	3	126.6930	0.288	5	126.5013	0.414	7	126.5013	0.414	7
930	863	977	0:SP2_SP-NON_SP2	C	O	S	4:1:1:	3:	3:	C[5]-4:O-1:S-1:	C-3:	C-3:	C(C[5]C[5,6]C[5]H)(O)(S)	O(CC[5]S)	S(CC[5]O)	C(C[5]C[5,6]C[5]H)(O)(S)	O(CC[5]S)	S(CC[5]O)	127.0225	0.518	2	127.0225	0.269	2	127.0225	0.269	2	126.6930	0.288	5	126.5013	0.414	7	126.5013	0.414	7
930	863	983	0:SP2_SP1_SP2	C	O	C	2:1:1:	3:	2:3:	C-2:H-1:O-1:	C-3:	C-2:C-3:	C(CC)(H)(O)	O(CCH)	C(CC[6a])(CHO)	C(CC)(H)(O)	O(CCH)	C(CC[6a])(CHO)	124.2980	0.000	1	124.2980	0.000	1	124.2980	0.000	1	118.6757	8.083	16	120.4088	14.527	239	120.4088	14.527	239
930	863	983	0:SP2_SP1_SP2	C	O	C	2:1:1:	3:	2:3:	C-2:N-1:O-1:	C-3:	S-2:C-3:	C(CS)(N)(O)	O(CCN)	C(SC[5])(CNO)	C(CS)(N)(O)	O(CCN)	C(SC[5])(CNO)	126.4480	0.000	1	126.4480	0.000	1	126.4480	0.000	1	118.6757	8.083	16	120.4088	14.527	239	120.4088	14.527	239
930	863	983	0:SP2_SP1_SP2	C	O	C	2:1:1:	3:	2:3:	C-2:O-1:O-1:	C-3:	C-2:C-3:	C(CC)(O)2	O(CCO)	C(CC[3x6])(COO)	C(CC)(O)2	O(CCO)	C(CC[3x6])(COO)	116.8250	2.437	2	116.8250	5.937	2	117.7190	1.263	14	118.6757	8.083	16	120.4088	14.527	239	120.4088	14.527	239
930	863	983	0:SP2_SP1_SP2	C	O	C	2:1:1:	3:	2:3:	C-2:O-1:O-1:	C-3:	C-2:C-3:	C(CC)(O)2	O(CCO)	C(CC[6a])(COO)	C(CC)(O)2	O(CCO)	C(CC[6a])(COO)	117.8680	0.885	12	117.8680	0.783	12	117.7190	1.263	14	118.6757	8.083	16	120.4088	14.527	239	120.4088	14.527	239
930	863	983	0:SP2_SP1_SP2	C	O	C	2:1:1:	3:	3:1:	C-2:H-1:O-1:	C-3:	C-3:H-1:	C(CH)(H)(O)	O(CCH)	C(CHO)(H)	C(CH)(H)(O)	O(CCH)	C(CHO)(H)	111.9010	0.000	1	111.9010	0.000	1	111.9010	0.000	1	111.9010	0.000	1	120.4088	14.527	239	120.4088	14.527	239
930	863	983	0:SP2_SP1_SP2	C	O	C	2:1:1:	3:	3:2:	C-2:O-1:O-1:	C-3:	C-3:C-2:	C(CC)(O)2	O(CCO)	C(COO)(CC)	C(CC)(O)2	O(CCO)	C(COO)(CC)	116.9432	2.751	42	116.9432	7.568	42	116.9412	7.240	44	116.9412	7.240	44	120.4088	14.527	239	120.4088	14.527	239
930	863	983	0:SP2_SP1_SP2	C	O	C	2:1:1:	3:	3:2:	C-2:O-1:O-1:	C-3:	C-3:C-2:	C(CC)(O)2	O(CCO)	C(COO)(CH)	C(CC)(O)2	O(CCO)	C(COO)(CH)	116.8990	1.003	2	116.8990	1.005	2	116.9412	7.240	44	116.9412	7.240	44	120.4088	14.527	239	120.4088	14.527	239
930	863	983	0:SP2_SP1_SP2	C	O	C	2:2:1:	3:	2:3:	C-2:C-2:O-1:	C-3:	C-2:C-3:	C(CC)2(O)	O(CCC)	C(CC[5])(CCO)	C(CC)2(O)	O(CCC)	C(CC[5])(CCO)	123.1275	0.749	2	123.1275	0.561	2	123.1275	0.561	2	123.1710	2.947	25	120.4088	14.527	239	120.4088	14.527	239
930	863	983	0:SP2_SP1_SP2	C	O	C	2:2:1:	3:	2:3:	C-2:O-2:O-1:	C-3:	C-2:C-3:	C(CC)(OC)(O)	O(CCO)	C(CC[5])(COO)	C(CC)(OC)(O)	O(CCO)	C(CC[5])(COO)	124.5231	0.972	7	124.5231	0.945	7	123.0700	3.375	21	123.1710	2.947	25	120.4088	14.527	239	120.4088	14.527	239
930	863	983	0:SP2_SP1_SP2	C	O	C	2:2:1:	3:	2:3:	C-2:O-2:O-1:	C-3:	C-2:C-3:	C(CC)(OC)(O)	O(CCO)	C(CC[6a])(COO)	C(CC)(OC)(O)	O(CCO)	C(CC[6a])(COO)	123.8798	0.944	4	123.8798	0.891	4	123.0700	3.375	21	123.1710	2.947	25	120.4088	14.527	239	120.4088	14.527	239
930	863	983	0:SP2_SP1_SP2	C	O	C	2:2:1:	3:	2:3:	C-2:O-2:O-1:	C-3:	C-2:C-3:	C(CC)(OH)(O)	O(CCO)	C(CC[3x6])(COO)	C(CC)(OH)(O)	O(CCO)	C(CC[3x6])(COO)	117.2360	0.000	1	117.2360	0.000	1	123.0700	3.375	21	123.1710	2.947	25	120.4088	14.527	239	120.4088	14.527	239
930	863	983	0:SP2_SP1_SP2	C	O	C	2:2:1:	3:	2:3:	C-2:O-2:O-1:	C-3:	C-2:C-3:	C(CC)(OH)(O)	O(CCO)	C(CC[6])(COO)	C(CC)(OH)(O)	O(CCO)	C(CC[6])(COO)	121.9420	0.000	1	121.9420	0.000	1	123.0700	3.375	21	123.1710	2.947	25	120.4088	14.527	239	120.4088	14.527	239
930	863	983	0:SP2_SP1_SP2	C	O	C	2:2:1:	3:	2:3:	C-2:O-2:O-1:	C-3:	C-2:C-3:	C(CC)(OH)(O)	O(CCO)	C(CC[6a])(COO)	C(CC)(OH)(O)	O(CCO)	C(CC[6a])(COO)	122.2640	0.422	8	122.2640	0.178	8	123.0700	3.375	21	123.1710	2.947	25	120.4088	14.527	239	120.4088	14.527	239
930	863	983	0:SP2_SP1_SP2	C	O	C	2:2:1:	3:	2:3:	O-2:C-2:O-1:	C-3:	C-2:C-3:	C(OC[6a])(CC)(O)	O(CCO)	C(CC[6a])(COO)	C(OC[6a])(CC)(O)	O(CCO)	C(CC[6a])(COO)	124.2750	0.139	2	124.2750	0.019	2	124.2750	0.019	2	123.1710	2.947	25	120.4088	14.527	239	120.4088	14.527	239
930	863	983	0:SP2_SP1_SP2	C	O	C	2:2:1:	3:	3:1:	C-2:C-2:O-1:	C-3:	C-3:D-1:	C(CD)2(O)	O(CCC)	C(CCO)(D)	C(CD)2(O)	O(CCC)	C(CCO)(D)	122.1020	0.000	1	122.1020	0.000	1	122.1020	0.000	1	124.7705	14.242	2	120.4088	14.527	239	120.4088	14.527	239
930	863	983	0:SP2_SP1_SP2	C	O	C	2:2:1:	3:	3:1:	C-2:O-2:O-1:	C-3:	C-3:H-1:	C(CH)(OC)(O)	O(CCO)	C(COO)(H)	C(CH)(OC)(O)	O(CCO)	C(COO)(H)	127.4390	0.000	1	127.4390	0.000	1	127.4390	0.000	1	124.7705	14.242	2	120.4088	14.527	239	120.4088	14.527	239
930	863	983	0:SP2_SP1_SP2	C	O	C	2:2:1:	3:	3:2:	C-2:C-2:O-1:	C-3:	C-3:C-2:	C(CC)2(O)	O(CCC)	C(CCO)(CAu)	C(CC)2(O)	O(CCC)	C(CCO)(CAu)	122.2630	0.299	4	122.2630	0.089	4	122.2630	0.089	4	122.3534	8.840	57	120.4088	14.527	239	120.4088	14.527	239
930	863	983	0:SP2_SP1_SP2	C	O	C	2:2:1:	3:	3:2:	C-2:O-2:O-1:	C-3:	C-3:C-2:	C(CC)(OC)(O)	O(CCO)	C(COO)(CC)	C(CC)(OC)(O)	O(CCO)	C(COO)(CC)	124.1911	0.732	10	124.1911	0.536	10	123.3896	3.353	41	122.3534	8.840	57	120.4088	14.527	239	120.4088	14.527	239
930	863	983	0:SP2_SP1_SP2	C	O	C	2:2:1:	3:	3:2:	C-2:O-2:O-1:	C-3:	C-3:C-2:	C(CC)(OC)(O)	O(CCO)	C(COO)(CMn)	C(CC)(OC)(O)	O(CCO)	C(COO)(CMn)	125.2530	1.054	2	125.2530	1.110	2	123.3896	3.353	41	122.3534	8.840	57	120.4088	14.527	239	120.4088	14.527	239
930	863	983	0:SP2_SP1_SP2	C	O	C	2:2:1:	3:	3:2:	C-2:O-2:O-1:	C-3:	C-3:C-2:	C(CC)(OC)(O)	O(CCO)	C(COO)(CMo)	C(CC)(OC)(O)	O(CCO)	C(COO)(CMo)	125.7270	0.681	4	125.7270	0.464	4	123.3896	3.353	41	122.3534	8.840	57	120.4088	14.527	239	120.4088	14.527	239
930	863	983	0:SP2_SP1_SP2	C	O	C	2:2:1:	3:	3:2:	C-2:O-2:O-1:	C-3:	C-3:C-2:	C(CC)(OC)(O)	O(CCO)	C(COO)(CN)	C(CC)(OC)(O)	O(CCO)	C(COO)(CN)	123.8390	0.000	1	123.8390	0.000	1	123.3896	3.353	41	122.3534	8.840	57	120.4088	14.527	239	120.4088	14.527	239
930	863	983	0:SP2_SP1_SP2	C	O	C	2:2:1:	3:	3:2:	C-2:O-2:O-1:	C-3:	C-3:C-2:	C(CC)(OC)(O)	O(CCO)	C(COO)(CRu)	C(CC)(OC)(O)	O(CCO)	C(COO)(CRu)	123.9967	2.704	3	123.9967	7.311	3	123.3896	3.353	41	122.3534	8.840	57	120.4088	14.527	239	120.4088	14.527	239
930	863	983	0:SP2_SP1_SP2	C	O	C	2:2:1:	3:	3:2:	C-2:O-2:O-1:	C-3:	C-3:C-2:	C(CC)(OC)(O)	O(CCO)	C(COO)(CSn)	C(CC)(OC)(O)	O(CCO)	C(COO)(CSn)	124.5970	0.000	1	124.5970	0.000	1	123.3896	3.353	41	122.3534	8.840	57	120.4088	14.527	239	120.4088	14.527	239
930	863	983	0:SP2_SP1_SP2	C	O	C	2:2:1:	3:	3:2:	C-2:O-2:O-1:	C-3:	C-3:C-2:	C(CC)(OH)(O)	O(CCO)	C(COO)(CC)	C(CC)(OH)(O)	O(CCO)	C(COO)(CC)	122.4395	1.823	13	122.4395	3.323	13	123.3896	3.353	41	122.3534	8.840	57	120.4088	14.527	239	120.4088	14.527	239
930	863	983	0:SP2_SP1_SP2	C	O	C	2:2:1:	3:	3:2:	C-2:O-2:O-1:	C-3:	C-3:C-2:	C(CC)(OH)(O)	O(CCO)	C(COO)(CH)	C(CC)(OH)(O)	O(CCO)	C(COO)(CH)	121.6444	0.460	7	121.6444	0.212	7	123.3896	3.353	41	122.3534	8.840	57	120.4088	14.527	239	120.4088	14.527	239
930	863	983	0:SP2_SP1_SP2	C	O	C	2:2:1:	3:	3:2:	O-2:C-2:O-1:	C-3:	C-3:C-2:	C(OC[6])(CC)(O)	O(CCO)	C(COO)(CC)	C(OC[6])(CC)(O)	O(CCO)	C(COO)(CC)	126.3140	0.000	1	126.3140	0.000	1	118.8429	15.336	12	122.3534	8.840	57	120.4088	14.527	239	120.4088	14.527	239
930	863	983	0:SP2_SP1_SP2	C	O	C	2:2:1:	3:	3:2:	O-2:C-2:O-1:	C-3:	C-3:C-2:	C(OC[6a])(CC)(O)	O(CCO)	C(COO)(CH)	C(OC[6a])(CC)(O)	O(CCO)	C(COO)(CH)	124.6055	0.886	2	124.6055	0.785	2	118.8429	15.336	12	122.3534	8.840	57	120.4088	14.527	239	120.4088	14.527	239
930	863	983	0:SP2_SP1_SP2	C	O	C	2:2:1:	3:	3:2:	O-2:C-2:O-1:	C-3:	C-3:C-2:	C(OMn)(CC)(O)	O(CCO)	C(COO)(CC)	C(OMn)(CC)(O)	O(CCO)	C(COO)(CC)	116.7201	0.892	8	116.7201	0.797	8	118.8429	15.336	12	122.3534	8.840	57	120.4088	14.527	239	120.4088	14.527	239
930	863	983	0:SP2_SP1_SP2	C	O	C	2:2:1:	3:	3:2:	O-2:C-2:O-1:	C-3:	C-3:C-2:	C(ONi)(CC)(O)	O(CCO)	C(COO)(CC)	C(ONi)(CC)(O)	O(CCO)	C(COO)(CC)	116.8290	0.000	1	116.8290	0.000	1	118.8429	15.336	12	122.3534	8.840	57	120.4088	14.527	239	120.4088	14.527	239
930	863	983	0:SP2_SP1_SP2	C	O	C	2:2:1:	3:	3:3:	C-2:N-2:O-1:	C-3:	C[6]-3:C-3:	C(CC[6])(NC)(O)	O(CCN)	C(C[6]C[6]2)(CNO)	C(CC[6])(NC)(O)	O(CCN)	C(C[6]C[6]2)(CNO)	121.1600	0.000	1	121.1600	0.000	1	121.1600	0.000	1	125.0670	30.529	2	120.4088	14.527	239	120.4088	14.527	239
930	863	983	0:SP2_SP1_SP2	C	O	C	2:2:1:	3:	3:3:	C-2:O-2:O-1:	C-3:	C-3:C-3:	C(CC)(OC)(O)	O(CCO)	C(CCH)(COO)	C(CC)(OC)(O)	O(CCO)	C(CCH)(COO)	128.9740	0.000	1	128.9740	0.000	1	128.9740	0.000	1	125.0670	30.529	2	120.4088	14.527	239	120.4088	14.527	239
930	863	983	0:SP2_SP1_SP2	C	O	C	3:2:1:	3:	2:3:	C-3:C-2:O-1:	C-3:	C-2:C-3:	C(CCN)(CC)(O)	O(CCC)	C(CC[6a])(CCO)	C(CCN)(CC)(O)	O(CCC)	C(CC[6a])(CCO)	122.2380	0.000	1	122.2380	0.000	1	123.2860	1.806	3	121.3076	3.231	9	120.4088	14.527	239	120.4088	14.527	239
930	863	983	0:SP2_SP1_SP2	C	O	C	3:2:1:	3:	2:3:	C-3:C-2:O-1:	C-3:	C-2:C-3:	C(CCO)(CC)(O)	O(CCC)	C(CC[6a])(CCO)	C(CCO)(CC)(O)	O(CCC)	C(CC[6a])(CCO)	123.8100	1.401	2	123.8100	1.964	2	123.2860	1.806	3	121.3076	3.231	9	120.4088	14.527	239	120.4088	14.527	239
930	863	983	0:SP2_SP1_SP2	C	O	C	3:2:1:	3:	2:3:	N-3:C-2:O-1:	C-3:	C-2:C-3:	C(NCC)(CC)(O)	O(CCN)	C(CC[6a])(CNO)	C(NCC)(CC)(O)	O(CCN)	C(CC[6a])(CNO)	119.9484	0.361	5	119.9484	0.130	5	120.3183	0.925	6	121.3076	3.231	9	120.4088	14.527	239	120.4088	14.527	239
930	863	983	0:SP2_SP1_SP2	C	O	C	3:2:1:	3:	2:3:	N-3:C-2:O-1:	C-3:	C-2:C-3:	C(NC[6a]H)(CC)(O)	O(CCN)	C(CC[5])(CNO)	C(NC[6a]H)(CC)(O)	O(CCN)	C(CC[5])(CNO)	122.1680	0.000	1	122.1680	0.000	1	120.3183	0.925	6	121.3076	3.231	9	120.4088	14.527	239	120.4088	14.527	239
930	863	983	0:SP2_SP1_SP2	C	O	C	3:2:1:	3:	3:1:	C-3:C-2:O-1:	C-3:	C-3:C-1:	C(CCO)(CC)(O)	O(CCC)	C(CCO)(C)	C(CCO)(CC)(O)	O(CCC)	C(CCO)(C)	135.7020	0.000	1	135.7020	0.000	1	135.7020	0.000	1	126.9555	153.003	2	120.4088	14.527	239	120.4088	14.527	239
930	863	983	0:SP2_SP1_SP2	C	O	C	3:2:1:	3:	3:1:	N-3:C-2:O-1:	C-3:	C-3:N-1:	C(NC[6a]C)(CN)(O)	O(CCN)	C(CNO)(N)	C(NC[6a]C)(CN)(O)	O(CCN)	C(CNO)(N)	118.2090	0.000	1	118.2090	0.000	1	118.2090	0.000	1	126.9555	153.003	2	120.4088	14.527	239	120.4088	14.527	239
930	863	983	0:SP2_SP1_SP2	C	O	C	3:2:1:	3:	3:2:	C-3:C-2:O-1:	C-3:	C-3:C-2:	C(CC[6a]C)(CC)(O)	O(CCC)	C(CCO)(CSi)	C(CC[6a]C)(CC)(O)	O(CCC)	C(CCO)(CSi)	117.1500	0.000	1	117.1500	0.000	1	117.1500	0.000	1	120.2589	1.476	56	120.4088	14.527	239	120.4088	14.527	239
930	863	983	0:SP2_SP1_SP2	C	O	C	3:2:1:	3:	3:2:	C[6a]-3:C-2:O-1:	C-3:	C-3:C-2:	C(C[6a]C[6a,6a]C[6a])(CC)(O)	O(CC[6a]C)	C(CC[6a]O)(CAu)	C(C[6a]C[6a,6a]C[6a])(CC)(O)	O(CC[6a]C)	C(CC[6a]O)(CAu)	119.2708	0.388	5	119.2708	0.151	5	120.2053	1.479	38	120.2589	1.476	56	120.4088	14.527	239	120.4088	14.527	239
930	863	983	0:SP2_SP1_SP2	C	O	C	3:2:1:	3:	3:2:	C[6a]-3:C-2:O-1:	C-3:	C-3:C-2:	C(C[6a]C[6a,6a]C[6a])(CC)(O)	O(CC[6a]C)	C(CC[6a]O)(CC)	C(C[6a]C[6a,6a]C[6a])(CC)(O)	O(CC[6a]C)	C(CC[6a]O)(CC)	118.2640	0.027	2	118.2640	0.001	2	120.2053	1.479	38	120.2589	1.476	56	120.4088	14.527	239	120.4088	14.527	239
930	863	983	0:SP2_SP1_SP2	C	O	C	3:2:1:	3:	3:2:	C[6a]-3:C-2:O-1:	C-3:	C-3:C-2:	C(C[6a]C[6a,6a]C[6a])(CC)(O)	O(CC[6a]C)	C(CC[6a]O)(CC[6a])	C(C[6a]C[6a,6a]C[6a])(CC)(O)	O(CC[6a]C)	C(CC[6a]O)(CC[6a])	117.8090	0.000	1	117.8090	0.000	1	120.2053	1.479	38	120.2589	1.476	56	120.4088	14.527	239	120.4088	14.527	239
930	863	983	0:SP2_SP1_SP2	C	O	C	3:2:1:	3:	3:2:	C[6a]-3:C-2:O-1:	C-3:	C-3:C-2:	C(C[6a]C[6a]2)(CC)(O)	O(CC[6a]C)	C(CC[6a]O)(CC)	C(C[6a]C[6a]2)(CC)(O)	O(CC[6a]C)	C(CC[6a]O)(CC)	119.9897	0.532	3	119.9897	0.283	3	120.2053	1.479	38	120.2589	1.476	56	120.4088	14.527	239	120.4088	14.527	239
930	863	983	0:SP2_SP1_SP2	C	O	C	3:2:1:	3:	3:2:	C[6a]-3:C-2:O-1:	C-3:	C-3:C-2:	C(C[6a]C[6a]2)(CC)(O)	O(CC[6a]C)	C(CC[6a]O)(CC[5])	C(C[6a]C[6a]2)(CC)(O)	O(CC[6a]C)	C(CC[6a]O)(CC[5])	120.8837	1.155	15	120.8837	1.334	15	120.2053	1.479	38	120.2589	1.476	56	120.4088	14.527	239	120.4088	14.527	239
930	863	983	0:SP2_SP1_SP2	C	O	C	3:2:1:	3:	3:2:	C[6a]-3:C-2:O-1:	C-3:	C-3:C-2:	C(C[6a]C[6a]2)(CC)(O)	O(CC[6a]C)	C(CC[6a]O)(CC[5a])	C(C[6a]C[6a]2)(CC)(O)	O(CC[6a]C)	C(CC[6a]O)(CC[5a])	119.3825	0.763	2	119.3825	0.582	2	120.2053	1.479	38	120.2589	1.476	56	120.4088	14.527	239	120.4088	14.527	239
930	863	983	0:SP2_SP1_SP2	C	O	C	3:2:1:	3:	3:2:	C[6a]-3:C-2:O-1:	C-3:	C-3:C-2:	C(C[6a]C[6a]2)(CC)(O)	O(CC[6a]C)	C(CC[6a]O)(CC[6a])	C(C[6a]C[6a]2)(CC)(O)	O(CC[6a]C)	C(CC[6a]O)(CC[6a])	120.9563	0.762	6	120.9563	0.580	6	120.2053	1.479	38	120.2589	1.476	56	120.4088	14.527	239	120.4088	14.527	239
930	863	983	0:SP2_SP1_SP2	C	O	C	3:2:1:	3:	3:2:	C[6a]-3:C-2:O-1:	C-3:	C-3:C-2:	C(C[6a]C[6a]2)(CC)(O)	O(CC[6a]C)	C(CC[6a]O)(CH)	C(C[6a]C[6a]2)(CC)(O)	O(CC[6a]C)	C(CC[6a]O)(CH)	119.5160	0.252	3	119.5160	0.064	3	120.2053	1.479	38	120.2589	1.476	56	120.4088	14.527	239	120.4088	14.527	239
930	863	983	0:SP2_SP1_SP2	C	O	C	3:2:1:	3:	3:2:	C[6a]-3:C-2:O-1:	C-3:	C-3:C-2:	C(C[6a]C[6a]2)(CC)(O)	O(CC[6a]C)	C(CC[6a]O)(CN)	C(C[6a]C[6a]2)(CC)(O)	O(CC[6a]C)	C(CC[6a]O)(CN)	120.8360	0.000	1	120.8360	0.000	1	120.2053	1.479	38	120.2589	1.476	56	120.4088	14.527	239	120.4088	14.527	239
930	863	983	0:SP2_SP1_SP2	C	O	C	3:2:1:	3:	3:2:	N-3:C-2:O-1:	C-3:	C-3:C-2:	C(NCC)(CC)(O)	O(CCN)	C(CNO)(CPd)	C(NCC)(CC)(O)	O(CCN)	C(CNO)(CPd)	121.5530	0.000	1	121.5530	0.000	1	120.2265	0.524	8	120.2589	1.476	56	120.4088	14.527	239	120.4088	14.527	239
930	863	983	0:SP2_SP1_SP2	C	O	C	3:2:1:	3:	3:2:	N-3:C-2:O-1:	C-3:	C-3:C-2:	C(NCC)(CC)(O)	O(CCN)	C(CNO)(CPt)	C(NCC)(CC)(O)	O(CCN)	C(CNO)(CPt)	119.7200	1.048	2	119.7200	1.098	2	120.2265	0.524	8	120.2589	1.476	56	120.4088	14.527	239	120.4088	14.527	239
930	863	983	0:SP2_SP1_SP2	C	O	C	3:2:1:	3:	3:2:	N-3:C-2:O-1:	C-3:	C-3:C-2:	C(NCH)(CC)(O)	O(CCN)	C(CNO)(CH)	C(NCH)(CC)(O)	O(CCN)	C(CNO)(CH)	120.3290	0.000	1	120.3290	0.000	1	120.2265	0.524	8	120.2589	1.476	56	120.4088	14.527	239	120.4088	14.527	239
930	863	983	0:SP2_SP1_SP2	C	O	C	3:2:1:	3:	3:2:	N-3:C-2:O-1:	C-3:	C-3:C-2:	C(NCH)(CC)(O)	O(CCN)	C(CNO)(CI)	C(NCH)(CC)(O)	O(CCN)	C(CNO)(CI)	120.0310	0.000	1	120.0310	0.000	1	120.2265	0.524	8	120.2589	1.476	56	120.4088	14.527	239	120.4088	14.527	239
930	863	983	0:SP2_SP1_SP2	C	O	C	3:2:1:	3:	3:2:	N-3:C-2:O-1:	C-3:	C-3:C-2:	C(NC[6a]C)(CC)(O)	O(CCN)	C(CNO)(CH)	C(NC[6a]C)(CC)(O)	O(CCN)	C(CNO)(CH)	120.2920	0.000	1	120.2920	0.000	1	120.2265	0.524	8	120.2589	1.476	56	120.4088	14.527	239	120.4088	14.527	239
930	863	983	0:SP2_SP1_SP2	C	O	C	3:2:1:	3:	3:2:	N-3:C-2:O-1:	C-3:	C-3:C-2:	C(NC[6a]H)(CC)(O)	O(CCN)	C(CNO)(CC)	C(NC[6a]H)(CC)(O)	O(CCN)	C(CNO)(CC)	120.4050	0.000	1	120.4050	0.000	1	120.2265	0.524	8	120.2589	1.476	56	120.4088	14.527	239	120.4088	14.527	239
930	863	983	0:SP2_SP1_SP2	C	O	C	3:2:1:	3:	3:2:	N-3:C-2:O-1:	C-3:	C-3:C-2:	C(NHH)(CC)(O)	O(CCN)	C(CNO)(CI)	C(NHH)(CC)(O)	O(CCN)	C(CNO)(CI)	119.7620	0.000	1	119.7620	0.000	1	120.2265	0.524	8	120.2589	1.476	56	120.4088	14.527	239	120.4088	14.527	239
930	863	983	0:SP2_SP1_SP2	C	O	C	3:2:1:	3:	3:2:	N[5]-3:C-2:O-1:	C-3:	C-3:C-2:	C(N[5]C[5]2)(CC)(O)	O(CN[5]C)	C(CN[5]O)(CI)	C(N[5]C[5]2)(CC)(O)	O(CN[5]C)	C(CN[5]O)(CI)	119.8240	0.000	1	119.8240	0.000	1	121.2315	1.913	4	120.2589	1.476	56	120.4088	14.527	239	120.4088	14.527	239
930	863	983	0:SP2_SP1_SP2	C	O	C	3:2:1:	3:	3:2:	N[5]-3:C-2:O-1:	C-3:	C-3:C-2:	C(N[5]C[5]2)(CC)(O)	O(CN[5]C)	C(CN[5]O)(CPd)	C(N[5]C[5]2)(CC)(O)	O(CN[5]C)	C(CN[5]O)(CPd)	121.0665	0.827	2	121.0665	0.683	2	121.2315	1.913	4	120.2589	1.476	56	120.4088	14.527	239	120.4088	14.527	239
930	863	983	0:SP2_SP1_SP2	C	O	C	3:2:1:	3:	3:2:	N[5]-3:C-2:O-1:	C-3:	C-3:C-2:	C(N[5]C[5]2)(CC)(O)	O(CN[5]C)	C(CN[5]O)(CPt)	C(N[5]C[5]2)(CC)(O)	O(CN[5]C)	C(CN[5]O)(CPt)	122.9690	0.000	1	122.9690	0.000	1	121.2315	1.913	4	120.2589	1.476	56	120.4088	14.527	239	120.4088	14.527	239
930	863	983	0:SP2_SP1_SP2	C	O	C	3:2:1:	3:	3:2:	N[6]-3:C-2:O-1:	C-3:	C-3:C-2:	C(N[6]C[6]2)(CC)(O)	O(CN[6]C)	C(CN[6]O)(CH)	C(N[6]C[6]2)(CC)(O)	O(CN[6]C)	C(CN[6]O)(CH)	120.5585	0.532	2	120.5585	0.284	2	120.5614	0.763	5	120.2589	1.476	56	120.4088	14.527	239	120.4088	14.527	239
930	863	983	0:SP2_SP1_SP2	C	O	C	3:2:1:	3:	3:2:	N[6]-3:C-2:O-1:	C-3:	C-3:C-2:	C(N[6]C[6]2)(CC)(O)	O(CN[6]C)	C(CN[6]O)(CI)	C(N[6]C[6]2)(CC)(O)	O(CN[6]C)	C(CN[6]O)(CI)	119.8865	0.141	2	119.8865	0.020	2	120.5614	0.763	5	120.2589	1.476	56	120.4088	14.527	239	120.4088	14.527	239
930	863	983	0:SP2_SP1_SP2	C	O	C	3:2:1:	3:	3:2:	N[6]-3:C-2:O-1:	C-3:	C-3:C-2:	C(N[6]C[6]2)(CC)(O)	O(CN[6]C)	C(CN[6]O)(CPd)	C(N[6]C[6]2)(CC)(O)	O(CN[6]C)	C(CN[6]O)(CPd)	121.9170	0.000	1	121.9170	0.000	1	120.5614	0.763	5	120.2589	1.476	56	120.4088	14.527	239	120.4088	14.527	239
930	863	983	0:SP2_SP1_SP2	C	O	C	3:2:1:	3:	3:3:	C[6a]-3:C-2:O-1:	C-3:	C[5a]-3:C-3:	C(C[6a]C[6a]2)(CC[5a])(O)	O(CC[6a]C)	C(C[5a]C[5a]S[5a])(CC[6a]O)	C(C[6a]C[6a]2)(CC[5a])(O)	O(CC[6a]C)	C(C[5a]C[5a]S[5a])(CC[6a]O)	121.9840	0.000	1	121.9840	0.000	1	121.9840	0.000	1	121.4483	4.958	4	120.4088	14.527	239	120.4088	14.527	239
930	863	983	0:SP2_SP1_SP2	C	O	C	3:2:1:	3:	3:3:	N-3:C-2:O-1:	C-3:	C[6]-3:C-3:	C(NC[6]Pd)(CC[6])(O)	O(CCN)	C(C[6]C[6]2)(CNO)	C(NC[6]Pd)(CC[6])(O)	O(CCN)	C(C[6]C[6]2)(CNO)	118.1710	0.000	1	118.1710	0.000	1	118.1710	0.000	1	121.4483	4.958	4	120.4088	14.527	239	120.4088	14.527	239
930	863	983	0:SP2_SP1_SP2	C	O	C	3:2:1:	3:	3:3:	N-3:C-2:O-1:	C-3:	C[6a]-3:C-3:	C(NC[5a]H)(CC[6a])(O)	O(CCN)	C(C[6a]C[6a]2)(CNO)	C(NC[5a]H)(CC[6a])(O)	O(CCN)	C(C[6a]C[6a]2)(CNO)	122.8190	0.296	2	122.8190	0.087	2	122.8190	0.087	2	121.4483	4.958	4	120.4088	14.527	239	120.4088	14.527	239
930	863	983	0:SP2_SP1_SP2	C	O	C	3:2:1:	3:	4:3:	C[6a]-3:C-2:O-1:	C-3:	C-4:C-3:	C(C[6a]C[6a]2)(CC)(O)	O(CC[6a]C)	C(CC[6a]C[5]H)(CC[6a]O)	C(C[6a]C[6a]2)(CC)(O)	O(CC[6a]C)	C(CC[6a]C[5]H)(CC[6a]O)	121.0170	0.000	1	121.0170	0.000	1	121.0170	0.000	1	121.4470	0.370	2	120.4088	14.527	239	120.4088	14.527	239
930	863	983	0:SP2_SP1_SP2	C	O	C	3:2:1:	3:	4:3:	N-3:C-2:O-1:	C-3:	C[5]-4:C-3:	C(NC[6a]H)(CC[5])(O)	O(CCN)	C(C[5]C[5,6a]C[6a]N[5])(CNO)	C(NC[6a]H)(CC[5])(O)	O(CCN)	C(C[5]C[5,6a]C[6a]N[5])(CNO)	121.8770	0.000	1	121.8770	0.000	1	121.8770	0.000	1	121.4470	0.370	2	120.4088	14.527	239	120.4088	14.527	239
930	863	983	0:SP2_SP1_SP2	C	O	C	4:2:1:	3:	2:3:	C-4:C-2:O-1:	C-3:	C-2:C-3:	C(CCHH)(CC)(O)	O(CCC)	C(CC[6a])(CCO)	C(CCHH)(CC)(O)	O(CCC)	C(CC[6a])(CCO)	122.0260	0.000	1	122.0260	0.000	1	121.1707	0.778	7	121.1707	0.778	7	120.4088	14.527	239	120.4088	14.527	239
930	863	983	0:SP2_SP1_SP2	C	O	C	4:2:1:	3:	2:3:	C-4:C-2:O-1:	C-3:	C-2:C-3:	C(CC[5a]HH)(CC)(O)	O(CCC)	C(CC[6a])(CCO)	C(CC[5a]HH)(CC)(O)	O(CCC)	C(CC[6a])(CCO)	121.4417	0.408	3	121.4417	0.166	3	121.1707	0.778	7	121.1707	0.778	7	120.4088	14.527	239	120.4088	14.527	239
930	863	983	0:SP2_SP1_SP2	C	O	C	4:2:1:	3:	2:3:	C-4:C-2:O-1:	C-3:	C-2:C-3:	C(CH3)(CC)(O)	O(CCC)	C(CC[5])(CCO)	C(CH3)(CC)(O)	O(CCC)	C(CC[5])(CCO)	120.8970	0.000	1	120.8970	0.000	1	121.1707	0.778	7	121.1707	0.778	7	120.4088	14.527	239	120.4088	14.527	239
930	863	983	0:SP2_SP1_SP2	C	O	C	4:2:1:	3:	2:3:	C-4:C-2:O-1:	C-3:	C-2:C-3:	C(CH3)(CC)(O)	O(CCC)	C(CC[6a])(CCO)	C(CH3)(CC)(O)	O(CCC)	C(CC[6a])(CCO)	121.5540	0.000	1	121.5540	0.000	1	121.1707	0.778	7	121.1707	0.778	7	120.4088	14.527	239	120.4088	14.527	239
930	863	983	0:SP2_SP1_SP2	C	O	C	4:2:1:	3:	2:3:	C-4:C-2:O-1:	C-3:	C-2:C-3:	C(CMo2C)(CC)(O)	O(CCC)	C(CC[6a])(CCO)	C(CMo2C)(CC)(O)	O(CCC)	C(CC[6a])(CCO)	119.3930	0.000	1	119.3930	0.000	1	121.1707	0.778	7	121.1707	0.778	7	120.4088	14.527	239	120.4088	14.527	239
930	863	983	0:SP2_SP1_SP2	C	O	C	4:2:1:	3:	3:1:	C[5,5,6]-4:C-2:O-1:	C-3:	C-3:H-1:	C(C[5,5,6]C[5,5,6]C[5,6]O[5,6])(CH)(O)	O(CC[5,5,6]C)	C(CC[5,5,6]O)(H)	C(C[5,5,6]C[5,5,6]C[5,6]O[5,6])(CH)(O)	O(CC[5,5,6]C)	C(CC[5,5,6]O)(H)	120.5400	0.000	1	120.5400	0.000	1	120.5400	0.000	1	119.0230	4.603	2	120.4088	14.527	239	120.4088	14.527	239
930	863	983	0:SP2_SP1_SP2	C	O	C	4:2:1:	3:	3:1:	C[5]-4:C-2:O-1:	C-3:	C-3:N-1:	C(C[5]C[5]2Fe)(CN)(O)	O(CC[5]C)	C(CC[5]O)(N)	C(C[5]C[5]2Fe)(CN)(O)	O(CC[5]C)	C(CC[5]O)(N)	117.5060	0.000	1	117.5060	0.000	1	117.5060	0.000	1	119.0230	4.603	2	120.4088	14.527	239	120.4088	14.527	239
930	863	983	0:SP2_SP1_SP2	C	O	C	4:2:1:	3:	3:2:	C-4:C-2:O-1:	C-3:	C-3:C-2:	C(CCo3)(CC)(O)	O(CCC)	C(CCO)(CC)	C(CCo3)(CC)(O)	O(CCC)	C(CCO)(CC)	119.6485	1.533	4	119.6485	2.350	4	120.0382	2.522	5	120.2780	1.468	9	120.4088	14.527	239	120.4088	14.527	239
930	863	983	0:SP2_SP1_SP2	C	O	C	4:2:1:	3:	3:2:	C-4:C-2:O-1:	C-3:	C-3:C-2:	C(CCo3)(CC)(O)	O(CCC)	C(CCO)(CW)	C(CCo3)(CC)(O)	O(CCC)	C(CCO)(CW)	121.5970	0.000	1	121.5970	0.000	1	120.0382	2.522	5	120.2780	1.468	9	120.4088	14.527	239	120.4088	14.527	239
930	863	983	0:SP2_SP1_SP2	C	O	C	4:2:1:	3:	3:2:	C[5]-4:C-2:O-1:	C-3:	C-3:C-2:	C(C[5]C[5]2Fe)(CC)(O)	O(CC[5]C)	C(CC[5]O)(CC)	C(C[5]C[5]2Fe)(CC)(O)	O(CC[5]C)	C(CC[5]O)(CC)	121.3540	0.000	1	121.3540	0.000	1	120.5778	0.337	4	120.2780	1.468	9	120.4088	14.527	239	120.4088	14.527	239
930	863	983	0:SP2_SP1_SP2	C	O	C	4:2:1:	3:	3:2:	C[5]-4:C-2:O-1:	C-3:	C-3:C-2:	C(C[5]C[5]2Fe)(CC)(O)	O(CC[5]C)	C(CC[5]O)(CC[6a])	C(C[5]C[5]2Fe)(CC)(O)	O(CC[5]C)	C(CC[5]O)(CC[6a])	120.4360	0.000	1	120.4360	0.000	1	120.5778	0.337	4	120.2780	1.468	9	120.4088	14.527	239	120.4088	14.527	239
930	863	983	0:SP2_SP1_SP2	C	O	C	4:2:1:	3:	3:2:	C[5]-4:C-2:O-1:	C-3:	C-3:C-2:	C(C[5]C[5]2Fe)(CC)(O)	O(CC[5]C)	C(CC[5]O)(CH)	C(C[5]C[5]2Fe)(CC)(O)	O(CC[5]C)	C(CC[5]O)(CH)	120.5660	0.000	1	120.5660	0.000	1	120.5778	0.337	4	120.2780	1.468	9	120.4088	14.527	239	120.4088	14.527	239
930	863	983	0:SP2_SP1_SP2	C	O	C	4:2:1:	3:	3:2:	C[5]-4:C-2:O-1:	C-3:	C-3:C-2:	C(C[5]C[5]2Fe)(CC)(O)	O(CC[5]C)	C(CC[5]O)(CSi)	C(C[5]C[5]2Fe)(CC)(O)	O(CC[5]C)	C(CC[5]O)(CSi)	119.9550	0.000	1	119.9550	0.000	1	120.5778	0.337	4	120.2780	1.468	9	120.4088	14.527	239	120.4088	14.527	239
930	863	983	0:SP2_SP1_SP2	C	O	C	4:2:1:	3:	4:3:	C-4:C-2:O-1:	C-3:	N-4:C-3:	C(CH3)(CN)(O)	O(CCC)	C(NC3)(CCO)	C(CH3)(CN)(O)	O(CCC)	C(NC3)(CCO)	90.8810	0.000	1	90.8810	0.000	1	90.8810	0.000	1	90.8810	0.000	1	120.4088	14.527	239	120.4088	14.527	239
930	863	992	0:SP2_SP2_SP3	C	O	P	2:4:1:	3:	4:4:4:3:	O-2:P-4:O-1:	C-3:	C-4:C-4:C-4:C-3:	C(OB[5])(PC3)(O)	O(COP)	P(CC3)3(COO)	C(OB[5])(PC3)(O)	O(COP)	P(CC3)3(COO)	123.3700	0.000	1	123.3700	0.000	1	123.3700	0.000	1	123.3700	0.000	1	117.2087	9.086	34	117.2087	9.086	34
930	863	992	0:SP2_SP2_SP3	C	O	P	3:4:1:	3:	3:2:2:1:	C[6a]-3:P-4:O-1:	C-3:	C-3:O-2:O-2:O-1:	C(C[6a]C[6a]2)(PO3)(O)	O(CC[6a]P)	P(CC[6a]O)(OC)2(O)	C(C[6a]C[6a]2)(PO3)(O)	O(CC[6a]P)	P(CC[6a]O)(OC)2(O)	114.2590	0.000	1	114.2590	0.000	1	114.2590	0.000	1	117.7730	24.696	2	117.2087	9.086	34	117.2087	9.086	34
930	863	992	0:SP2_SP2_SP3	C	O	P	3:4:1:	3:	3:2:2:1:	N-3:P-4:O-1:	C-3:	C-3:O-2:O-2:O-1:	C(NC[6]H)(PO3)(O)	O(CNP)	P(CNO)(OH)2(O)	C(NC[6]H)(PO3)(O)	O(CNP)	P(CNO)(OH)2(O)	121.2870	0.000	1	121.2870	0.000	1	121.2870	0.000	1	117.7730	24.696	2	117.2087	9.086	34	117.2087	9.086	34
930	863	992	0:SP2_SP2_SP3	C	O	P	3:4:1:	3:	3:3:4:1:	C[6a]-3:P-4:O-1:	C-3:	C-3:C-3:C-4:O-1:	C(C[6a]C[6a]2)(PCCO)(O)	O(CC[6a]P)	P(CC[6a]O)2(CCHH)(O)	C(C[6a]C[6a]2)(PCCO)(O)	O(CC[6a]P)	P(CC[6a]O)2(CCHH)(O)	115.4690	0.346	2	115.4690	0.120	2	115.4690	0.120	2	115.4690	0.120	2	117.2087	9.086	34	117.2087	9.086	34
930	863	992	0:SP2_SP2_SP3	C	O	P	3:4:1:	3:	4:4:4:3:	N-3:P-4:O-1:	C-3:	C-4:C-4:C-4:C-3:	C(NAlC)(PC3)(O)	O(CNP)	P(CAlHH)(CC3)2(CNO)	C(NAlC)(PC3)(O)	O(CNP)	P(CAlHH)(CC3)2(CNO)	116.4640	0.000	1	116.4640	0.000	1	116.4640	0.000	1	116.4640	0.000	1	117.2087	9.086	34	117.2087	9.086	34
930	863	992	0:SP2_SP2_SP3	C	O	P	4:1:1:	3:	2:2:4:3:	P-4:O-1:O-1:	C-3:	N-2:N-2:C-4:C-3:	C(PCNN)(O)2	O(COP)	P(NC[5])2(CCCH)(COO)	C(PCNN)(O)2	O(COP)	P(NC[5])2(CCCH)(COO)	115.1890	4.210	2	115.1890	17.725	2	115.1890	17.725	2	115.1890	17.725	2	117.2087	9.086	34	117.2087	9.086	34
930	863	992	0:SP2_SP2_SP3	C	O	P	4:1:1:	3:	3:2:1:1:	P-4:O-1:O-1:	C-3:	C-3:O-2:O-1:O-1:	C(PO3)(O)2	O(COP)	P(COO)(OH)(O)2	C(PO3)(O)2	O(COP)	P(COO)(OH)(O)2	116.9655	2.292	2	116.9655	5.252	2	116.9655	5.252	2	116.9655	5.252	2	117.2087	9.086	34	117.2087	9.086	34
930	863	992	0:SP2_SP2_SP3	C	O	P	4:2:1:	3:	3:3:3:3:	P-4:O-2:O-1:	C-3:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(PC[6a]3)(OAl)(O)	O(COP)	P(C[6a]C[6a]2)3(COO)	C(PC[6a]3)(OAl)(O)	O(COP)	P(C[6a]C[6a]2)3(COO)	119.1680	0.000	1	119.1680	0.000	1	119.1680	0.000	1	119.1680	0.000	1	117.2087	9.086	34	117.2087	9.086	34
930	863	992	0:SP2_SP2_SP3	C	O	P	4:2:1:	3:	3:3:4:3:	P-4:O-2:O-1:	C-3:	C[6a]-3:C[6a]-3:C-4:C-3:	C(PC[6a]2C)(OB)(O)	O(COP)	P(C[6a]C[6a]2)2(CCHH)(COO)	C(PC[6a]2C)(OB)(O)	O(COP)	P(C[6a]C[6a]2)2(CCHH)(COO)	121.4730	0.000	1	121.4730	0.000	1	121.4900	0.001	2	121.4900	0.001	2	117.2087	9.086	34	117.2087	9.086	34
930	863	992	0:SP2_SP2_SP3	C	O	P	4:2:1:	3:	3:3:4:3:	P-4:O-2:O-1:	C-3:	C[6a]-3:C[6a]-3:C-4:C-3:	C(PC[6a]2C)(OZr)(O)	O(COP)	P(C[6a]C[6a]2)2(CCHH)(COO)	C(PC[6a]2C)(OZr)(O)	O(COP)	P(C[6a]C[6a]2)2(CCHH)(COO)	121.5070	0.000	1	121.5070	0.000	1	121.4900	0.001	2	121.4900	0.001	2	117.2087	9.086	34	117.2087	9.086	34
930	863	992	0:SP2_SP2_SP3	C	O	P	4:2:1:	3:	3:4:3:3:	P-4:O-2:O-1:	C-3:	C[6a]-3:C-4:C-3:C-3:	C(PC[6a]CC)(OAl)(O)	O(COP)	P(C[6a]C[6a]2)(CCHH)(CAlC)(COO)	C(PC[6a]CC)(OAl)(O)	O(COP)	P(C[6a]C[6a]2)(CCHH)(CAlC)(COO)	119.9730	0.000	1	119.9730	0.000	1	119.9730	0.000	1	119.9730	0.000	1	117.2087	9.086	34	117.2087	9.086	34
930	863	992	0:SP2_SP2_SP3	C	O	P	4:2:1:	3:	3:4:4:3:	P-4:O-2:O-1:	C-3:	C[6a]-3:C[6]-4:C[6]-4:C-3:	C(PC[6a]C[6]2)(OB)(O)	O(COP)	P(C[6a]C[6a]2)(C[6]C[6]2H)2(COO)	C(PC[6a]C[6]2)(OB)(O)	O(COP)	P(C[6a]C[6a]2)(C[6]C[6]2H)2(COO)	116.3070	0.000	1	116.3070	0.000	1	116.3070	0.000	1	116.3070	0.000	1	117.2087	9.086	34	117.2087	9.086	34
930	863	992	0:SP2_SP2_SP3	C	O	P	4:2:1:	3:	4:4:3:2:	P-4:O-2:O-1:	C-3:	C-4:C-4:C-3:N-2:	C(PCCN)(OB)(O)	O(COP)	P(CCCH)2(COO)(NP)	C(PCCN)(OB)(O)	O(COP)	P(CCCH)2(COO)(NP)	120.8450	0.000	1	120.8450	0.000	1	115.1803	7.579	7	115.1803	7.579	7	117.2087	9.086	34	117.2087	9.086	34
930	863	992	0:SP2_SP2_SP3	C	O	P	4:2:1:	3:	4:4:3:2:	P-4:O-2:O-1:	C-3:	C-4:C-4:C-3:N-2:	C(PCCN)(OSn)(O)	O(COP)	P(CCCH)2(COO)(NP)	C(PCCN)(OSn)(O)	O(COP)	P(CCCH)2(COO)(NP)	115.7215	0.457	2	115.7215	0.209	2	115.1803	7.579	7	115.1803	7.579	7	117.2087	9.086	34	117.2087	9.086	34
930	863	992	0:SP2_SP2_SP3	C	O	P	4:2:1:	3:	4:4:3:2:	P-4:O-2:O-1:	C-3:	C-4:C-4:C-3:N-2:	C(PCCN)(OZn)(O)	O(COP)	P(CCCH)2(COO)(NP)	C(PCCN)(OZn)(O)	O(COP)	P(CCCH)2(COO)(NP)	113.4935	0.635	4	113.4935	0.403	4	115.1803	7.579	7	115.1803	7.579	7	117.2087	9.086	34	117.2087	9.086	34
930	863	992	0:SP2_SP2_SP3	C	O	P	4:2:1:	3:	4:4:4:3:	P-4:O-2:O-1:	C-3:	C-4:C-4:C-4:C-3:	C(PC3)(OAl)(O)	O(COP)	P(CC3)3(COO)	C(PC3)(OAl)(O)	O(COP)	P(CC3)3(COO)	118.0470	0.983	2	118.0470	0.966	2	117.4265	0.836	4	117.4265	0.836	4	117.2087	9.086	34	117.2087	9.086	34
930	863	992	0:SP2_SP2_SP3	C	O	P	4:2:1:	3:	4:4:4:3:	P-4:O-2:O-1:	C-3:	C-4:C-4:C-4:C-3:	C(PC3)(OB)(O)	O(COP)	P(CC3)3(COO)	C(PC3)(OB)(O)	O(COP)	P(CC3)3(COO)	116.8060	0.037	2	116.8060	0.001	2	117.4265	0.836	4	117.4265	0.836	4	117.2087	9.086	34	117.2087	9.086	34
930	863	992	0:SP2_SP2_SP3	C	O	P	4:3:1:	3:	3:3:3:1:	P-4:N-3:O-1:	C-3:	C[6a]-3:C[6a]-3:C-3:O-1:	C(PC[6a]2O)(NCH)(O)	O(CNP)	P(C[6a]C[6a]2)2(CNO)(O)	C(PC[6a]2O)(NCH)(O)	O(CNP)	P(C[6a]C[6a]2)2(CNO)(O)	121.8585	0.665	2	121.8585	0.443	2	121.8585	0.443	2	121.8585	0.443	2	117.2087	9.086	34	117.2087	9.086	34
930	863	992	0:SP2_SP2_SP3	C	O	P	4:3:1:	3:	3:4:3:3:	P-4:N-3:O-1:	C-3:	C[6a]-3:C-4:C-3:C-3:	C(PC[6a]CC)(NC[6a]Al)(O)	O(CNP)	P(C[6a]C[6a]2)(CCHH)(CAlC)(CNO)	C(PC[6a]CC)(NC[6a]Al)(O)	O(CNP)	P(C[6a]C[6a]2)(CCHH)(CAlC)(CNO)	117.6520	1.305	2	117.6520	1.704	2	117.6520	1.704	2	117.6520	1.704	2	117.2087	9.086	34	117.2087	9.086	34
930	863	992	0:SP2_SP2_SP3	C	O	P	4:3:1:	3:	4:4:4:3:	P-4:C-3:O-1:	C-3:	C-4:C-4:C-4:C-3:	C(PC3)(CCN)(O)	O(CCP)	P(CCHH)3(CCO)	C(PC3)(CCN)(O)	O(CCP)	P(CCHH)3(CCO)	112.4160	0.000	1	112.4160	0.000	1	112.4160	0.000	1	112.4160	0.000	1	117.2087	9.086	34	117.2087	9.086	34
930	863	992	0:SP2_SP2_SP3	C	O	P	4:4:1:	3:	3:3:3:1:	C[5]-4:P-4:O-1:	C-3:	C[6a]-3:C[6a]-3:C-3:O-1:	C(C[5]C[5]2Fe)(PC[6a]2O)(O)	O(CC[5]P)	P(C[6a]C[6a]2)2(CC[5]O)(O)	C(C[5]C[5]2Fe)(PC[6a]2O)(O)	O(CC[5]P)	P(C[6a]C[6a]2)2(CC[5]O)(O)	115.4670	0.000	1	115.4670	0.000	1	115.4670	0.000	1	116.2117	0.449	3	117.2087	9.086	34	117.2087	9.086	34
930	863	992	0:SP2_SP2_SP3	C	O	P	4:4:1:	3:	3:3:3:1:	C[5]-4:P-4:O-1:	C-3:	C[6a]-3:C[6a]-3:C-3:S-1:	C(C[5]C[5]2Fe)(PC[6a]2S)(O)	O(CC[5]P)	P(C[6a]C[6a]2)2(CC[5]O)(S)	C(C[5]C[5]2Fe)(PC[6a]2S)(O)	O(CC[5]P)	P(C[6a]C[6a]2)2(CC[5]O)(S)	116.7670	0.000	1	116.7670	0.000	1	116.7670	0.000	1	116.2117	0.449	3	117.2087	9.086	34	117.2087	9.086	34
930	863	992	0:SP2_SP2_SP3	C	O	P	4:4:1:	3:	3:3:3:1:	C[5]-4:P-4:O-1:	C-3:	C[6a]-3:C[6a]-3:C-3:Se-1:	C(C[5]C[5]2Fe)(PC[6a]2Se)(O)	O(CC[5]P)	P(C[6a]C[6a]2)2(CC[5]O)(Se)	C(C[5]C[5]2Fe)(PC[6a]2Se)(O)	O(CC[5]P)	P(C[6a]C[6a]2)2(CC[5]O)(Se)	116.4010	0.000	1	116.4010	0.000	1	116.4010	0.000	1	116.2117	0.449	3	117.2087	9.086	34	117.2087	9.086	34
930	871	901	0:SP2_SP1_SP3	C	O	N	3:1:1:	4:4:3:	3:	O-3:H-1:N-1:	C-4:C-4:C-3:	C-3:	C(OCC)(H)(N)	O(CH3)2(CHN)	N(CHO)	C(OCC)(H)(N)	O(CH3)2(CHN)	N(CHO)	126.9590	0.000	1	126.9590	0.000	1	126.9590	0.000	1	126.9590	0.000	1	126.9590	0.000	1	126.9590	0.000	1
930	871	951	0:SP2_SP-NON_SP3	C	O	H	3:1:1:	4:4:3:	3:	O-3:H-1:N-1:	C-4:C-4:C-3:	C-3:	C(OCC)(H)(N)	O(CH3)2(CHN)	H(CNO)	C(OCC)(H)(N)	O(CH3)2(CHN)	H(CNO)	116.5010	0.000	1	116.5010	0.000	1	116.5010	0.000	1	116.5010	0.000	1	121.0020	40.518	2	121.0020	40.518	2
930	871	951	0:SP2_SP-NON_SP3	C	O	H	3:3:1:	3:4:1:	3:	C[6a]-3:O-3:H-1:	C-3:Ga-4:H-1:	C-3:	C(C[6a]C[6a]2)(OGaH)(H)	O(CC[6a]H)(GaClNO)(H)	H(CC[6a]O)	C(C[6a]C[6a]2)(OGaH)(H)	O(CC[6a]H)(GaClNO)(H)	H(CC[6a]O)	125.5030	0.000	1	125.5030	0.000	1	125.5030	0.000	1	125.5030	0.000	1	121.0020	40.518	2	121.0020	40.518	2
930	872	880	0:SP2_SP3_SP3	C	Si[3]	Si	4:4:4:	3:3:3:3:	3:4:4:4:	Si[3]-4:Si-4:Si-4:	C[3]-3:C[3]-3:C[5]-3:C-3:	C-3:C-4:C-4:C-4:	C(Si[3]C[3]2C[5])(SiC3)2	Si[3](C[3]C[6a]C[3])2(C[5]N[5]2)(CSi2)	Si(CSi[3]Si)(CH3)3	C(Si[3]C[3]2C[5])(SiC3)2	Si[3](C[3]C[6a]C[3])2(C[5]N[5]2)(CSi2){2|C<4>,6|C<3>}	Si(CSi[3]Si)(CH3)3	121.3320	8.070	2	121.3320	65.117	2	121.3320	65.117	2	121.3320	65.117	2	121.3320	65.117	2	121.3320	65.117	2
930	872	951	0:SP2_SP-NON_SP3	C	Si[3,4,4]	H	4:3:1:	3:3:3:3:	3:	Si[3,4,4]-4:C[5]-3:H-1:	P[3,3,4]-3:P[3,3,4]-3:P[4,4]-3:C-3:	C-3:	C(Si[3,4,4]P[3,3,4]2P[4,4])(C[5]N[5]2)(H)	Si[3,4,4](P[3,3,4]P[3,3,4]P[3,4,4])2(P[4,4]P[3,4,4]Si)(CC[5]H)	H(CSi[3,4,4]C[5])	C(Si[3,4,4]P[3,3,4]2P[4,4])(C[5]N[5]2)(H)	Si[3,4,4](P[3,3,4]P[3,3,4]P[3,4,4])2(P[4,4]P[3,4,4]Si)(CC[5]H)	H(CSi[3,4,4]C[5])	111.0220	0.000	1	111.0220	0.000	1	111.0220	0.000	1	111.0220	0.000	1	111.0220	0.000	1	111.0220	0.000	1
930	874	930	0:SP2_SP2_SP3	C	B[3x6]	C	4:3:3:	3:3:3:3:	3:2:2:	B[3x6]-4:C-3:C-3:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:C-3:	C-3:C-2:C-2:	C(B[3x6]N[5a,6,6]3)(CC[6a]C)(CCC)	B[3x6](N[5a,6,6]C[5a,6]2)3(CCC)	C(CB[3x6]C)(CN)2	C(B[3x6]N[5a,6,6]3)(CC[6a]C)(CCC)	B[3x6](N[5a,6,6]C[5a,6]2)3(CCC){9|C<3>}	C(CB[3x6]C)(CN)2	127.0560	0.000	1	127.0560	0.000	1	127.0560	0.000	1	127.0560	0.000	1	121.4170	63.597	2	124.5452	18.636	6
930	874	930	0:SP2_SP2_SP3	C	B[3x6]	C	4:3:3:	3:3:3:3:	3:3:3:	B[3x6]-4:C-3:C-3:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:C-3:	C[6a]-3:C-3:C-3:	C(B[3x6]N[5a,6,6]3)(CC[6a]C)(CCC)	B[3x6](N[5a,6,6]C[5a,6]2)3(CCC)	C(C[6a]C[6a]2)(CB[3x6]C)(CCC)	C(B[3x6]N[5a,6,6]3)(CC[6a]C)(CCC)	B[3x6](N[5a,6,6]C[5a,6]2)3(CCC){9|C<3>}	C(C[6a]C[6a]2)(CB[3x6]C)(CCC)	115.7780	0.000	1	115.7780	0.000	1	115.7780	0.000	1	115.7780	0.000	1	121.4170	63.597	2	124.5452	18.636	6
930	874	930	0:SP2_SP2_SP3	C	B[6]	C	4:3:1:	3:3:3:3:	3:1:1:	B[6]-4:C-3:H-1:	N[5a,6]-3:N[5a,6]-3:C-3:C-3:	C-3:H-1:H-1:	C(B[6]N[5a,6]2C)(CHH)(H)	B[6](N[5a,6]C[5a,6]C[5a])2(CCH)2	C(CB[6]H)(H)2	C(B[6]N[5a,6]2C)(CHH)(H)	B[6](N[5a,6]C[5a,6]C[5a])2(CCH)2{1|N<2>,6|C<3>}	C(CB[6]H)(H)2	126.1093	0.274	4	126.1093	0.075	4	126.1093	0.075	4	126.1093	0.075	4	126.1093	0.075	4	124.5452	18.636	6
930	874	951	0:SP2_SP-NON_SP3	C	B[6]	H	4:3:1:	3:3:3:3:	3:	B[6]-4:C-3:H-1:	N[5a,6]-3:N[5a,6]-3:C-3:C-3:	C-3:	C(B[6]N[5a,6]2C)(CHH)(H)	B[6](N[5a,6]C[5a,6]C[5a])2(CCH)2	H(CB[6]C)	C(B[6]N[5a,6]2C)(CHH)(H)	B[6](N[5a,6]C[5a,6]C[5a])2(CCH)2{1|N<2>,6|C<3>}	H(CB[6]C)	116.9255	0.107	4	116.9255	0.011	4	116.9255	0.011	4	116.9255	0.011	4	116.9255	0.011	4	116.9255	0.011	4
930	876	951	0:SP2_SP-NON_SP-NON	C	H	H	2:1:1:	3:1:	3:	H-2:H-1:H-1:	C-3:O-1:	C-3:	C(HO)(H)2	H(CHH)(O)	H(CHH)	C(HO)(H)2	H(CHH)(O)	H(CHH)	109.4435	0.069	2	109.4435	0.005	2	109.4435	0.005	2	109.4435	0.005	2	109.1843	0.204	3	109.1843	0.204	3
930	876	951	0:SP2_SP-NON_SP-NON	C	H	H	4:2:1:	2:3:	3:	C[6]-4:H-2:H-1:	C-2:C-3:	C-3:	C(C[6]C[6,6]C[6]C)(HC)(H)	H(CC[3x4])(CC[6]H)	H(CC[6]H)	C(C[6]C[6,6]C[6]C)(HC)(H)	H(CC[3x4])(CC[6]H)	H(CC[6]H)	108.6660	0.000	1	108.6660	0.000	1	108.6660	0.000	1	108.6660	0.000	1	109.1843	0.204	3	109.1843	0.204	3
930	878	880	0:SP2_SP-NON_SP3	C	Ga[4]	Si	4:3:4:	2:2:3:1:	3:4:4:4:	Ga[4]-4:C-3:Si-4:	Cl[4]-2:Cl[4]-2:C-3:Cl-1:	C-3:C-4:C-4:C-4:	C(Ga[4]Cl[4]2Cl)(CC[6a]H)(SiC3)	Ga[4](Cl[4]Ga[4])2(CSiC)(Cl)	Si(CGa[4]C)(CH3)3	C(Ga[4]Cl[4]2Cl)(CC[6a]H)(SiC3)	Ga[4](Cl[4]Ga[4])2(CSiC)(Cl){1|Cl<1>,1|C<3>}	Si(CGa[4]C)(CH3)3	121.0154	1.491	14	121.0154	2.222	14	121.0154	2.222	14	121.0154	2.222	14	121.0154	2.222	14	121.0154	2.222	14
930	878	930	0:SP2_SP-NON_SP2	C	Ga[4]	C	4:3:4:	2:2:3:1:	3:3:1:	Ga[4]-4:C-3:Si-4:	Cl[4]-2:Cl[4]-2:C-3:Cl-1:	C[6a]-3:C-3:H-1:	C(Ga[4]Cl[4]2Cl)(CC[6a]H)(SiC3)	Ga[4](Cl[4]Ga[4])2(CSiC)(Cl)	C(C[6a]C[6a]2)(CGa[4]Si)(H)	C(Ga[4]Cl[4]2Cl)(CC[6a]H)(SiC3)	Ga[4](Cl[4]Ga[4])2(CSiC)(Cl){1|Cl<1>,1|C<3>}	C(C[6a]C[6a]2)(CGa[4]Si)(H)	118.3423	1.805	14	118.3423	3.259	14	118.3423	3.259	14	118.3423	3.259	14	118.3423	3.259	14	118.3423	3.259	14
930	880	880	0:SP2_SP3_SP3	C	Si	Si	3:4:4:	3:3:4:4:	3:4:4:4:	N-3:Si-4:Si-4:	C-3:C-3:C-4:C-4:	C-3:C-4:C-4:C-4:	C(NC[6a]Co)(SiC3)2	Si(CSiN)2(CH3)2	Si(CSiN)(CH3)3	C(NC[6a]Co)(SiC3)2	Si(CSiN)2(CH3)2	Si(CSiN)(CH3)3	117.7050	1.899	2	117.7050	3.607	2	117.7050	3.607	2	117.7050	3.607	2	119.3769	25.535	30	119.3769	25.535	30
930	880	880	0:SP2_SP3_SP3	C	Si	Si	3:4:4:	3:4:4:4:	3:4:4:4:	C-3:Si-4:Si-4:	C-3:C-4:C-4:C-4:	C-3:C-4:C-4:C-4:	C(CC[6a]H)(SiC3)2	Si(CSiC)(CH3)3	Si(CSiC)(CH3)3	C(CC[6a]H)(SiC3)2	Si(CSiC)(CH3)3	Si(CSiC)(CH3)3	120.3820	0.000	1	120.3820	0.000	1	120.3820	0.000	1	118.0670	23.933	3	119.3769	25.535	30	119.3769	25.535	30
930	880	880	0:SP2_SP3_SP3	C	Si	Si	3:4:4:	3:4:4:4:	3:4:4:4:	C[5]-3:Si-4:Si-4:	C-3:C-4:C-4:C-4:	C-3:C-4:C-4:C-4:	C(C[5]C[5x3,6x5,20x6]C[5])(SiC3)2	Si(CC[5]Si)(CH3)3	Si(CC[5]Si)(CH3)3	C(C[5]C[5x3,6x5,20x6]C[5])(SiC3)2	Si(CC[5]Si)(CH3)3	Si(CC[5]Si)(CH3)3	112.4470	0.000	1	112.4470	0.000	1	112.4470	0.000	1	118.0670	23.933	3	119.3769	25.535	30	119.3769	25.535	30
930	880	880	0:SP2_SP3_SP3	C	Si	Si	3:4:4:	3:4:4:4:	3:4:4:4:	C[6a]-3:Si-4:Si-4:	C-3:C-4:C-4:C-4:	C-3:C-4:C-4:C-4:	C(C[6a]C[6a]2)(SiC3)2	Si(CC[6a]Si)(CH3)3	Si(CC[6a]Si)(CH3)3	C(C[6a]C[6a]2)(SiC3)2	Si(CC[6a]Si)(CH3)3	Si(CC[6a]Si)(CH3)3	121.3720	0.000	1	121.3720	0.000	1	121.3720	0.000	1	118.0670	23.933	3	119.3769	25.535	30	119.3769	25.535	30
930	880	880	0:SP2_SP3_SP3	C	Si	Si	4:4:2:	3:3:3:3:	3:4:4:4:	Si-4:Si-4:C-2:	C[6a]-3:C[6a]-3:N[6]-3:C-3:	C-3:C-4:C-4:C-4:	C(SiC[6a]2N[6])(SiC3)(CW)	Si(C[6a]C[6a]2)2(N[6]C[6]2)(CSiC)	Si(CSiC)(CH3)3	C(SiC[6a]2N[6])(SiC3)(CW)	Si(C[6a]C[6a]2)2(N[6]C[6]2)(CSiC)	Si(CSiC)(CH3)3	129.2860	0.000	1	129.2860	0.000	1	129.2860	0.000	1	129.2860	0.000	1	119.3769	25.535	30	119.3769	25.535	30
930	880	880	0:SP2_SP3_SP3	C	Si	Si	4:4:2:	3:3:3:4:	3:3:3:4:	Si-4:Si-4:Se-2:	C[6a]-3:C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:C-3:C-4:	C(SiC[6a]2C)2(SeC)	Si(C[6a]C[6a]2)2(CSeSi)(CH3)	Si(C[6a]C[6a]2)2(CSeSi)(CH3)	C(SiC[6a]2C)2(SeC)	Si(C[6a]C[6a]2)2(CSeSi)(CH3)	Si(C[6a]C[6a]2)2(CSeSi)(CH3)	125.0040	1.028	2	125.0040	1.057	2	125.0040	1.057	2	125.0040	1.057	2	119.3769	25.535	30	119.3769	25.535	30
930	880	880	0:SP2_SP3_SP3	C	Si	Si	4:4:2:	3:4:4:1:	3:4:4:4:	Si-4:Si-4:C-2:	C-3:C-4:C-4:H-1:	C-3:C-4:C-4:C-4:	C(SiCCH)(SiC3)(CMo)	Si(CSiC)(CH3)2(H)	Si(CSiC)(CH3)3	C(SiCCH)(SiC3)(CMo)	Si(CSiC)(CH3)2(H)	Si(CSiC)(CH3)3	123.1410	0.000	1	123.1410	0.000	1	123.1410	0.000	1	123.1410	0.000	1	119.3769	25.535	30	119.3769	25.535	30
930	880	880	0:SP2_SP3_SP3	C	Si	Si	4:4:2:	3:4:4:4:	3:4:4:4:	Si-4:Si-4:C-2:	C-3:C-4:C-4:C-4:	C-3:C-4:C-4:C-4:	C(SiC3)2(CIr)	Si(CSiC)(CH3)3	Si(CSiC)(CH3)3	C(SiC3)2(CIr)	Si(CSiC)(CH3)3	Si(CSiC)(CH3)3	124.3180	0.000	1	124.3180	0.000	1	121.1280	7.954	3	123.7383	23.949	6	119.3769	25.535	30	119.3769	25.535	30
930	880	880	0:SP2_SP3_SP3	C	Si	Si	4:4:2:	3:4:4:4:	3:4:4:4:	Si-4:Si-4:C-2:	C-3:C-4:C-4:C-4:	C-3:C-4:C-4:C-4:	C(SiC3)2(CRu)	Si(CSiC)(CH3)3	Si(CSiC)(CH3)3	C(SiC3)2(CRu)	Si(CSiC)(CH3)3	Si(CSiC)(CH3)3	119.5330	0.802	2	119.5330	0.643	2	121.1280	7.954	3	123.7383	23.949	6	119.3769	25.535	30	119.3769	25.535	30
930	880	880	0:SP2_SP3_SP3	C	Si	Si	4:4:2:	3:4:4:4:	3:4:4:4:	Si-4:Si-4:N-2:	C-3:C-4:C-4:C-4:	C-3:C-4:C-4:C-4:	C(SiC3)2(NN)	Si(CSiN)(CH3)3	Si(CSiN)(CH3)3	C(SiC3)2(NN)	Si(CSiN)(CH3)3	Si(CSiN)(CH3)3	129.5400	1.359	2	129.5400	1.847	2	129.5400	1.847	2	123.7383	23.949	6	119.3769	25.535	30	119.3769	25.535	30
930	880	880	0:SP2_SP3_SP3	C	Si	Si	4:4:2:	3:4:4:4:	3:4:4:4:	Si-4:Si-4:P-2:	C-3:C-4:C-4:C-4:	C-3:C-4:C-4:C-4:	C(SiC3)2(PC)	Si(CSiP)(CH3)3	Si(CSiP)(CH3)3	C(SiC3)2(PC)	Si(CSiP)(CH3)3	Si(CSiP)(CH3)3	119.9660	0.000	1	119.9660	0.000	1	119.9660	0.000	1	123.7383	23.949	6	119.3769	25.535	30	119.3769	25.535	30
930	880	880	0:SP2_SP3_SP3	C	Si	Si	4:4:3:	3:1:1:1:	3:1:1:1:	Si-4:Si-4:C-3:	C-3:Cl-1:Cl-1:Cl-1:	C-3:Cl-1:Cl-1:Cl-1:	C(SiCl3)2(CSi2)	Si(CSiC)(Cl)3	Si(CSiC)(Cl)3	C(SiCl3)2(CSi2)	Si(CSiC)(Cl)3	Si(CSiC)(Cl)3	111.7925	0.274	2	111.7925	0.075	2	111.7925	0.075	2	111.7925	0.075	2	119.3769	25.535	30	119.3769	25.535	30
930	880	880	0:SP2_SP3_SP3	C	Si	Si	4:4:3:	4:4:4:3:	4:4:4:3:	Si-4:Si-4:C-3:	C-4:C-4:C-4:C-3:	C-4:C-4:C-4:C-3:	C(SiC3)2(CCH)	Si(CCHH)3(CSiC)	Si(CCHH)3(CSiC)	C(SiC3)2(CCH)	Si(CCHH)3(CSiC)	Si(CCHH)3(CSiC)	119.8730	0.000	1	119.8730	0.000	1	119.8730	0.000	1	119.8730	0.000	1	119.3769	25.535	30	119.3769	25.535	30
930	880	880	0:SP2_SP3_SP3	C	Si	Si	4:4:4:	3:4:3:1:	3:4:4:4:	Si-4:Si-4:Si-4:	C[5]-3:Si-4:C-3:Cl-1:	C-3:C-4:C-4:C-4:	C(SiC[5]ClSi)(SiC3)2	Si(C[5]N[5]2)(SiC3)(CSi2)(Cl)	Si(CSi2)(CH3)3	C(SiC[5]ClSi)(SiC3)2	Si(C[5]N[5]2)(SiC3)(CSi2)(Cl)	Si(CSi2)(CH3)3	120.2815	4.945	2	120.2815	24.451	2	120.2815	24.451	2	120.2815	24.451	2	119.3769	25.535	30	119.3769	25.535	30
930	880	880	0:SP2_SP3_SP3	C	Si	Si	4:4:4:	3:4:4:4:	3:4:4:4:	P-4:Si-4:Si-4:	C-3:C-4:C-4:C-4:	C-3:C-4:C-4:C-4:	C(PBCC)(SiC3)2	Si(CSiP)(CH3)3	Si(CSiP)(CH3)3	C(PBCC)(SiC3)2	Si(CSiP)(CH3)3	Si(CSiP)(CH3)3	116.2474	1.456	7	116.2474	2.120	7	115.8710	2.951	8	116.2810	3.377	10	119.3769	25.535	30	119.3769	25.535	30
930	880	880	0:SP2_SP3_SP3	C	Si	Si	4:4:4:	3:4:4:4:	3:4:4:4:	P-4:Si-4:Si-4:	C-3:C-4:C-4:C-4:	C-3:C-4:C-4:C-4:	C(PClNW)(SiC3)2	Si(CSiP)(CH3)3	Si(CSiP)(CH3)3	C(PClNW)(SiC3)2	Si(CSiP)(CH3)3	Si(CSiP)(CH3)3	113.2360	0.000	1	113.2360	0.000	1	115.8710	2.951	8	116.2810	3.377	10	119.3769	25.535	30	119.3769	25.535	30
930	880	880	0:SP2_SP3_SP3	C	Si	Si	4:4:4:	3:4:4:4:	3:4:4:4:	Si-4:Si-4:Si-4:	C-3:C-4:C-4:C-4:	C-3:C-4:C-4:C-4:	C(SiC[5]ClSi)(SiC3)2	Si(CSi2)(CH3)3	Si(CSi2)(CH3)3	C(SiC[5]ClSi)(SiC3)2	Si(CSi2)(CH3)3	Si(CSi2)(CH3)3	119.1480	0.000	1	119.1480	0.000	1	119.1480	0.000	1	116.2810	3.377	10	119.3769	25.535	30	119.3769	25.535	30
930	880	880	0:SP2_SP3_SP3	C	Si	Si	4:4:4:	3:4:4:4:	3:4:4:4:	Si[3]-4:Si-4:Si-4:	C-3:C-4:C-4:C-4:	C-3:C-4:C-4:C-4:	C(Si[3]C[3]2C[5])(SiC3)2	Si(CSi[3]Si)(CH3)3	Si(CSi[3]Si)(CH3)3	C(Si[3]C[3]2C[5])(SiC3)2	Si(CSi[3]Si)(CH3)3	Si(CSi[3]Si)(CH3)3	116.6940	0.000	1	116.6940	0.000	1	116.6940	0.000	1	116.2810	3.377	10	119.3769	25.535	30	119.3769	25.535	30
930	880	893	0:SP2_SP2_SP3	C	Si	O	4:2:2:	3:4:4:3:	4:3:	Si-4:O-2:O-2:	C[6a]-3:C-4:C-4:C-3:	B[5]-4:C-3:	C(SiC[6a]CC)(OB[5])(OCu)	Si(C[6a]C[6a]2)(CH3)2(COO)	O(B[5]O[5]2O)(CSiO)	C(SiC[6a]CC)(OB[5])(OCu)	Si(C[6a]C[6a]2)(CH3)2(COO)	O(B[5]O[5]2O)(CSiO)	111.1030	0.890	2	111.1030	0.791	2	111.1030	0.791	2	111.1030	0.791	2	118.1330	44.334	5	118.1330	44.334	5
930	880	893	0:SP2_SP2_SP3	C	Si	O	4:3:2:	4:4:4:3:	3:3:	Si-4:C-3:O-2:	C-4:C-4:C-4:C-3:	C-3:C-3:	C(SiC3)(CCH)(OC)	Si(CH3)3(CCO)	O(CSiC)(CNO)	C(SiC3)(CCH)(OC)	Si(CH3)3(CCO)	O(CSiC)(CNO)	122.8197	2.430	3	122.8197	5.905	3	122.8197	5.905	3	122.8197	5.905	3	118.1330	44.334	5	118.1330	44.334	5
930	880	899	0:SP2_SP-NON_SP3	C	Si	C	4:1:1:	3:3:3:2:	3:	Si-4:C-1:C-1:	C-3:C-3:C-3:C-2:	C-3:	C(SiC3)(C)2	Si(CCC)3(CC)	C(CSiC)	C(SiC3)(C)2	Si(CCC)3(CC)	C(CSiC)	112.5750	1.323	12	112.5750	1.751	12	112.5750	1.751	12	112.5750	1.751	12	112.5750	1.751	12	112.5750	1.751	12
930	880	921	0:SP2_SP3_SP3	C	Si	Se	4:4:2:	3:3:3:4:	3:3:	Si-4:Si-4:Se-2:	C[6a]-3:C[6a]-3:C-3:C-4:	C-3:C-3:	C(SiC[6a]2C)2(SeC)	Si(C[6a]C[6a]2)2(CSeSi)(CH3)	Se(CSi2)2	C(SiC[6a]2C)2(SeC)	Si(C[6a]C[6a]2)2(CSeSi)(CH3)	Se(CSi2)2	114.4843	10.863	4	114.4843	118.013	4	114.4843	118.013	4	114.4843	118.013	4	114.4843	118.013	4	114.4843	118.013	4
930	880	924	0:SP2_SP-NON_SP3	C	Si	Br	3:4:1:	3:4:4:4:	3:	C-3:Si-4:Br-1:	C-3:C-4:C-4:C-4:	C-3:	C(CBrSi)(SiC3)(Br)	Si(CBrC)(CH3)3	Br(CSiC)	C(CBrSi)(SiC3)(Br)	Si(CBrC)(CH3)3	Br(CSiC)	114.1210	0.000	1	114.1210	0.000	1	114.1210	0.000	1	112.3590	6.209	2	113.2913	5.712	3	113.2913	5.712	3
930	880	924	0:SP2_SP-NON_SP3	C	Si	Br	3:4:1:	3:4:4:4:	3:	C[4]-3:Si-4:Br-1:	C-3:C-4:C-4:C-4:	C-3:	C(C[4]C[4]2)(SiC3)(Br)	Si(CC[4]Br)(CCCH)3	Br(CC[4]Si)	C(C[4]C[4]2)(SiC3)(Br)	Si(CC[4]Br)(CCCH)3	Br(CC[4]Si)	110.5970	0.000	1	110.5970	0.000	1	110.5970	0.000	1	112.3590	6.209	2	113.2913	5.712	3	113.2913	5.712	3
930	880	924	0:SP2_SP-NON_SP3	C	Si	Br	4:2:1:	3:4:4:4:	3:	Si-4:C-2:Br-1:	C-3:C-4:C-4:C-4:	C-3:	C(SiC3)(CC)(Br)	Si(CBrC)(CH3)3	Br(CSiC)	C(SiC3)(CC)(Br)	Si(CBrC)(CH3)3	Br(CSiC)	115.1560	0.000	1	115.1560	0.000	1	115.1560	0.000	1	115.1560	0.000	1	113.2913	5.712	3	113.2913	5.712	3
930	880	930	0:SP2_SP2_SP3	C	Si	C	2:4:3:	4:4:4:3:	2:4:3:	C-2:Si-4:C-3:	C-4:C-4:C-4:C-3:	C-2:Si-4:C-3:	C(CC[5])(SiC3)(CSiC)	Si(CH3)3(CCC)	C(CC[5])(SiC3)(CSiC)	C(CC[5])(SiC3)(CSiC)	Si(CH3)3(CCC)	C(CC[5])(SiC3)(CSiC)	124.1580	0.549	2	124.1580	0.301	2	124.8303	0.719	4	124.8303	0.719	4	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	2:4:3:	4:4:4:3:	2:4:3:	C-2:Si-4:C-3:	C-4:C-4:C-4:C-3:	C-2:Si-4:C-3:	C(CC[5])(SiC3)(CSiC)	Si(CH3)3(CCC)	C(CC[5a])(SiC3)(CSiC)	C(CC[5])(SiC3)(CSiC)	Si(CH3)3(CCC)	C(CC[5a])(SiC3)(CSiC)	125.3470	0.000	1	125.3470	0.000	1	124.8303	0.719	4	124.8303	0.719	4	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	2:4:3:	4:4:4:3:	2:4:3:	C-2:Si-4:C-3:	C-4:C-4:C-4:C-3:	C-2:Si-4:C-3:	C(CC[5a])(SiC3)(CSiC)	Si(CH3)3(CCC)	C(CC[5])(SiC3)(CSiC)	C(CC[5a])(SiC3)(CSiC)	Si(CH3)3(CCC)	C(CC[5])(SiC3)(CSiC)	125.6580	0.000	1	125.6580	0.000	1	124.8303	0.719	4	124.8303	0.719	4	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	3:3:4:	3:3:4:4:	3:3:3:	C[6a]-3:C-3:Si-4:	C[6a]-3:C-3:C-4:C-4:	C[6a]-3:B[5]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]B[5])(SiC[6a]CC)	Si(C[6a]C[6a]2)(CC[6a]C)(CH3)2	C(C[6a]C[6a]2)(B[5]O[5]2)(CC[6a]Si)	C(C[6a]C[6a]2)(CC[6a]B[5])(SiC[6a]CC)	Si(C[6a]C[6a]2)(CC[6a]C)(CH3)2	C(C[6a]C[6a]2)(B[5]O[5]2)(CC[6a]Si)	127.7077	2.488	3	127.7077	6.189	3	127.7077	6.189	3	127.7077	6.189	3	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	3:3:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-3:Si-4:	C-3:C-4:Cl-1:Cl-1:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(SiCl2C)	Si(CC[6a]C)(CSiCH)(Cl)2	C(C[6a]C[6a]2)(CC[6a]Si)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C)(SiCl2C)	Si(CC[6a]C)(CSiCH)(Cl)2	C(C[6a]C[6a]2)(CC[6a]Si)(CC[6a]C)	118.7290	0.000	1	118.7290	0.000	1	118.7290	0.000	1	118.7290	0.000	1	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	3:3:4:	3:4:4:4:	3:3:1:	B[5]-3:C-3:Si-4:	C-3:C-4:C-4:C-4:	C[6a]-3:C-3:H-1:	C(B[5]O[5]2)(CC[6a]H)(SiC3)	Si(CB[5]C)(CH3)3	C(C[6a]C[6a]2)(CB[5]Si)(H)	C(B[5]O[5]2)(CC[6a]H)(SiC3)	Si(CB[5]C)(CH3)3	C(C[6a]C[6a]2)(CB[5]Si)(H)	120.4210	0.000	1	120.4210	0.000	1	120.4210	0.000	1	125.3605	48.797	2	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	3:3:4:	3:4:4:4:	3:3:1:	C[6a]-3:C-3:Si-4:	C-3:C-4:C-4:C-4:	N[5]-3:C-3:H-1:	C(C[6a]C[6a]2)(CN[5]H)(SiC3)	Si(CC[6a]C)(CCHH)3	C(N[5]C[5]2)(CC[6a]Si)(H)	C(C[6a]C[6a]2)(CN[5]H)(SiC3)	Si(CC[6a]C)(CCHH)3	C(N[5]C[5]2)(CC[6a]Si)(H)	130.3000	0.000	1	130.3000	0.000	1	130.3000	0.000	1	125.3605	48.797	2	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	3:3:4:	3:4:4:4:	3:3:2:	C[5]-3:C-3:Si-4:	C-3:C-4:C-4:C-4:	C[6a]-3:C-3:O-2:	C(C[5]C[5,6a]C[5])(CC[6a]O)(SiC3)	Si(CC[5]C)(CH3)3	C(C[6a]C[6a]2)(CC[5]Si)(OH)	C(C[5]C[5,6a]C[5])(CC[6a]O)(SiC3)	Si(CC[5]C)(CH3)3	C(C[6a]C[6a]2)(CC[5]Si)(OH)	126.8130	0.000	1	126.8130	0.000	1	126.8130	0.000	1	126.8130	0.000	1	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	3:3:4:	3:4:4:4:	3:3:3:	C[5a]-3:C-3:Si-4:	C-3:C-4:C-4:C-4:	C[6a]-3:C-3:B-3:	C(C[5a]C[5a,6a]C[5a])(CC[6a]B)(SiC3)	Si(CC[5a]C)(CH3)3	C(C[6a]C[6a]2)(CC[5a]Si)(BC[6a]2)	C(C[5a]C[5a,6a]C[5a])(CC[6a]B)(SiC3)	Si(CC[5a]C)(CH3)3	C(C[6a]C[6a]2)(CC[5a]Si)(BC[6a]2)	125.5130	0.000	1	125.5130	0.000	1	125.5130	0.000	1	126.0352	0.959	5	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	3:3:4:	3:4:4:4:	3:3:3:	C[6]-3:C-3:Si-4:	C-3:C-4:C-4:C-4:	C[6a]-3:C-3:N-3:	C(C[6]C[6]N[6])(CC[6a]N)(SiC3)	Si(CC[6]C)(CH3)3	C(C[6a]C[6a]2)(CC[6]Si)(NAlSi)	C(C[6]C[6]N[6])(CC[6a]N)(SiC3)	Si(CC[6]C)(CH3)3	C(C[6a]C[6a]2)(CC[6]Si)(NAlSi)	125.6355	1.184	2	125.6355	1.403	2	125.6355	1.403	2	126.0352	0.959	5	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	3:3:4:	3:4:4:4:	3:3:3:	C[6a]-3:C-3:Si-4:	C-3:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]2)(SiC3)	Si(CC[6a]C)(CH3)3	C(C[6a]C[6a]2)2(CC[6a]Si)	C(C[6a]C[6a]2)(CC[6a]2)(SiC3)	Si(CC[6a]C)(CH3)3	C(C[6a]C[6a]2)2(CC[6a]Si)	126.6960	0.983	2	126.6960	0.966	2	126.6960	0.966	2	126.0352	0.959	5	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	3:3:4:	3:4:4:4:	3:4:3:	C[6a]-3:C-3:Si-4:	C-3:C-4:C-4:C-4:	C[6a]-3:Si-4:C-3:	C(C[6a]C[6a]2)(CC[6a]Si)(SiC3)	Si(CC[6a]C)(CH3)3	C(C[6a]C[6a]2)(SiC[5]ClN)(CC[6a]Si)	C(C[6a]C[6a]2)(CC[6a]Si)(SiC3)	Si(CC[6a]C)(CH3)3	C(C[6a]C[6a]2)(SiC[5]ClN)(CC[6a]Si)	129.9520	0.000	1	129.9520	0.000	1	129.9520	0.000	1	129.9520	0.000	1	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	3:3:4:	4:4:4:3:	3:2:3:	C-3:C-3:Si-4:	C-4:C-4:C-4:C-3:	N[5]-3:N-2:C-3:	C(CC[6a]H)(CN[5]N)(SiC3)	Si(CH3)3(CCC)	C(N[5]C[5]2)(NC[6a])(CSiC)	C(CC[6a]H)(CN[5]N)(SiC3)	Si(CH3)3(CCC)	C(N[5]C[5]2)(NC[6a])(CSiC)	117.9230	0.000	1	117.9230	0.000	1	117.9230	0.000	1	117.9230	0.000	1	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	3:3:4:	4:4:4:3:	3:3:1:	B-3:C-3:Si-4:	C-4:C-4:C-4:C-3:	C[5a]-3:C-3:H-1:	C(BC[6a]C)(CC[5a]H)(SiC3)	Si(CH3)3(CBC)	C(C[5a]C[5a]2)(CSiB)(H)	C(BC[6a]C)(CC[5a]H)(SiC3)	Si(CH3)3(CBC)	C(C[5a]C[5a]2)(CSiB)(H)	125.3425	2.289	2	125.3425	5.239	2	125.3425	5.239	2	125.4927	2.687	3	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	3:3:4:	4:4:4:3:	3:3:1:	C-3:C-3:Si-4:	C-4:C-4:C-4:C-3:	C[6a]-3:C-3:H-1:	C(CC[6a]H)(CN[5]N)(SiC3)	Si(CH3)3(CCC)	C(C[6a]C[6a,6a]C[6a])(CSiC)(H)	C(CC[6a]H)(CN[5]N)(SiC3)	Si(CH3)3(CCC)	C(C[6a]C[6a,6a]C[6a])(CSiC)(H)	125.7930	0.000	1	125.7930	0.000	1	125.7930	0.000	1	125.4927	2.687	3	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	3:3:4:	4:4:4:3:	3:3:3:	C-3:B-3:Si-4:	C-4:C-4:C-4:C-3:	C[6a]-3:B-3:C-3:	C(CC[6a]B)(BC[5]N)(SiC3)	Si(CH3)3(CBC)	C(C[6a]C[6a]2)(BC[5]N)(CSiB)	C(CC[6a]B)(BC[5]N)(SiC3)	Si(CH3)3(CBC)	C(C[6a]C[6a]2)(BC[5]N)(CSiB)	125.9890	1.868	2	125.9890	3.490	2	125.9890	3.490	2	125.9890	3.490	2	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	3:3:4:	4:4:4:3:	4:3:1:	C-3:C-3:Si-4:	C-4:C-4:C-4:C-3:	C[3]-4:C-3:O-1:	C(CC[3]O)(CAlSi)(SiC3)	Si(CH3)3(CCC)	C(C[3]C[3]2Al)(CSiC)(O)	C(CC[3]O)(CAlSi)(SiC3)	Si(CH3)3(CCC)	C(C[3]C[3]2Al)(CSiC)(O)	108.1690	0.000	1	108.1690	0.000	1	108.1690	0.000	1	108.1690	0.000	1	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	3:4:1:	3:1:1:1:	3:3:1:	C-3:Si-4:H-1:	C-3:Cl-1:Cl-1:Cl-1:	B[6a]-3:C-3:H-1:	C(CB[6a]H)(SiCl3)(H)	Si(CCH)(Cl)3	C(B[6a]N[6a]2)(CSiH)(H)	C(CB[6a]H)(SiCl3)(H)	Si(CCH)(Cl)3	C(B[6a]N[6a]2)(CSiH)(H)	126.3610	0.839	3	126.3610	0.704	3	126.3610	0.704	3	126.3610	0.704	3	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	3:4:1:	3:2:2:2:	3:3:1:	C-3:Si-4:H-1:	C-3:O-2:O-2:O-2:	C[6a]-3:C-3:H-1:	C(CC[6a]H)(SiO3)(H)	Si(CCH)(OSi)3	C(C[6a]C[6a]2)(CSiH)(H)	C(CC[6a]H)(SiO3)(H)	Si(CCH)(OSi)3	C(C[6a]C[6a]2)(CSiH)(H)	123.7114	2.280	8	123.7114	5.200	8	123.7114	5.200	8	123.7114	5.200	8	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	3:4:1:	3:4:4:4:	3:4:1:	C-3:Si-4:Br-1:	C-3:C-4:C-4:C-4:	C-3:Si-4:Br-1:	C(CBrSi)(SiC3)(Br)	Si(CBrC)(CH3)3	C(CBrSi)(SiC3)(Br)	C(CBrSi)(SiC3)(Br)	Si(CBrC)(CH3)3	C(CBrSi)(SiC3)(Br)	131.6960	0.000	1	131.6960	0.000	1	131.6960	0.000	1	131.6960	0.000	1	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	3:4:1:	4:4:3:2:	3:3:1:	C-3:Si-4:H-1:	C-4:C-4:C-3:O-2:	C[6a]-3:C-3:H-1:	C(CC[6a]H)(SiCCO)(H)	Si(CH3)2(CCH)(OPd)	C(C[6a]C[6a]2)(CSiH)(H)	C(CC[6a]H)(SiCCO)(H)	Si(CH3)2(CCH)(OPd)	C(C[6a]C[6a]2)(CSiH)(H)	125.2020	0.000	1	125.2020	0.000	1	125.2020	0.000	1	125.2020	0.000	1	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	3:4:1:	4:4:3:2:	3:4:3:	C-3:Si-4:H-1:	Si-4:Si-4:C-3:C-2:	C[6a]-3:C-4:C-3:	C(CC[6a]C)(SiSi2C)(H)	Si(SiC3)2(CCH)(CC)	C(C[6a]C[6a]2)(CCHH)(CSiH)	C(CC[6a]C)(SiSi2C)(H)	Si(SiC3)2(CCH)(CC)	C(C[6a]C[6a]2)(CCHH)(CSiH)	136.0250	0.000	1	136.0250	0.000	1	136.0250	0.000	1	136.0250	0.000	1	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	3:4:1:	4:4:3:3:	3:3:3:	C-3:Si-4:H-1:	C-4:C-4:C-3:N-3:	C[6a]-3:N-3:C-3:	C(CC[6a]N)(SiCCN)(H)	Si(CH3)2(CCH)(NCC)	C(C[6a]C[6a]2)(NC[6a]Li)(CSiH)	C(CC[6a]N)(SiCCN)(H)	Si(CH3)2(CCH)(NCC)	C(C[6a]C[6a]2)(NC[6a]Li)(CSiH)	131.7460	0.000	1	131.7460	0.000	1	131.7460	0.000	1	131.7460	0.000	1	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	3:4:1:	4:4:4:3:	3:3:1:	C-3:Si-4:H-1:	C-4:C-4:C-4:C-3:	C[6]-3:C-3:H-1:	C(CC[6]H)(SiC3)(H)	Si(CH3)3(CCH)	C(C[6]C[6]2)(CSiH)(H)	C(CC[6]H)(SiC3)(H)	Si(CH3)3(CCH)	C(C[6]C[6]2)(CSiH)(H)	127.1330	1.547	2	127.1330	2.394	2	127.1330	2.394	2	127.6410	1.403	5	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	3:4:1:	4:4:4:3:	3:3:1:	C-3:Si-4:H-1:	C-4:C-4:C-4:C-3:	C[6a]-3:C-3:H-1:	C(CC[6a]H)(SiC3)(H)	Si(CH3)3(CCH)	C(C[6a]C[6a]2)(CSiH)(H)	C(CC[6a]H)(SiC3)(H)	Si(CH3)3(CCH)	C(C[6a]C[6a]2)(CSiH)(H)	127.3160	0.000	1	127.3160	0.000	1	127.3160	0.000	1	127.6410	1.403	5	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	3:4:1:	4:4:4:3:	3:3:1:	C-3:Si-4:I-1:	C-4:C-4:C-4:C-3:	C[6a]-3:C-3:Cl-1:	C(CC[6a]Cl)(SiC3)(I)	Si(CH3)3(CCI)	C(C[6a]C[6a]2)(CSiI)(Cl)	C(CC[6a]Cl)(SiC3)(I)	Si(CH3)3(CCI)	C(C[6a]C[6a]2)(CSiI)(Cl)	128.3115	1.303	2	128.3115	1.698	2	128.3115	1.698	2	127.6410	1.403	5	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	3:4:1:	4:4:4:3:	3:3:3:	C-3:Si-4:H-1:	C-4:C-4:C-4:C-3:	C[6a]-3:C-3:C-3:	C(CC[6a]C)(SiC3)(H)	Si(CCCH)(CC3)2(CCH)	C(C[6a]C[6a]2)(CC[6a]C)(CSiH)	C(CC[6a]C)(SiC3)(H)	Si(CCCH)(CC3)2(CCH)	C(C[6a]C[6a]2)(CC[6a]C)(CSiH)	127.9110	0.000	1	127.9110	0.000	1	129.6485	6.038	2	133.8370	29.206	7	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	3:4:1:	4:4:4:3:	3:3:3:	C-3:Si-4:H-1:	C-4:C-4:C-4:C-3:	C[6a]-3:C-3:C-3:	C(CC[6a]C)(SiC3)(H)	Si(CH3)3(CCH)	C(C[6a]C[6a]2)(CSiH)(CNO)	C(CC[6a]C)(SiC3)(H)	Si(CH3)3(CCH)	C(C[6a]C[6a]2)(CSiH)(CNO)	131.3860	0.000	1	131.3860	0.000	1	129.6485	6.038	2	133.8370	29.206	7	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	3:4:1:	4:4:4:3:	3:3:3:	C-3:Si-4:H-1:	C-4:C-4:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C(CC[6a]2)(SiC3)(H)	Si(CH3)3(CCH)	C(C[6a]C[6a]2)2(CSiH)	C(CC[6a]2)(SiC3)(H)	Si(CH3)3(CCH)	C(C[6a]C[6a]2)2(CSiH)	134.0350	0.000	1	134.0350	0.000	1	134.0350	0.000	1	133.8370	29.206	7	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	3:4:1:	4:4:4:3:	3:3:3:	C-3:Si-4:H-1:	Si-4:Si-4:Si-4:C-3:	C[6a]-3:C-3:Ge-3:	C(CC[6a]Ge)(SiSi3)(H)	Si(SiC3)3(CCH)	C(C[6a]C[6a]2)(CSiH)(GeCP)	C(CC[6a]Ge)(SiSi3)(H)	Si(SiC3)3(CCH)	C(C[6a]C[6a]2)(CSiH)(GeCP)	138.7215	4.245	2	138.7215	18.018	2	138.7215	18.018	2	133.8370	29.206	7	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	3:4:1:	4:4:4:3:	3:3:3:	C-3:Si-4:H-1:	Si-4:Si-4:Si-4:C-3:	C[6a]-3:Ge-3:C-3:	C(CC[6a]Ge)(SiSi3)(H)	Si(SiC3)3(CCH)	C(C[6a]C[6a]2)(GeSiP)(CSiH)	C(CC[6a]Ge)(SiSi3)(H)	Si(SiC3)3(CCH)	C(C[6a]C[6a]2)(GeSiP)(CSiH)	138.8330	0.000	1	138.8330	0.000	1	138.8330	0.000	1	133.8370	29.206	7	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	3:4:1:	4:4:4:3:	3:3:3:	C-3:Si-4:I-1:	C-4:C-4:C-4:C-3:	C[6a]-3:N[5a]-3:C-3:	C(CC[6a]N[5a])(SiC3)(I)	Si(CH3)3(CCI)	C(C[6a]C[6a]2)(N[5a]N[5a]2)(CSiI)	C(CC[6a]N[5a])(SiC3)(I)	Si(CH3)3(CCI)	C(C[6a]C[6a]2)(N[5a]N[5a]2)(CSiI)	127.2510	0.000	1	127.2510	0.000	1	127.2510	0.000	1	133.8370	29.206	7	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	3:4:1:	4:4:4:3:	3:4:3:	C-3:Si-4:H-1:	C-4:C-4:C-4:C-3:	C[6a]-3:C[6]-4:C-3:	C(CC[6a]C[6])(SiC3)(H)	Si(CH3)3(CCH)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CSiH)	C(CC[6a]C[6])(SiC3)(H)	Si(CH3)3(CCH)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CSiH)	130.6400	0.000	1	130.6400	0.000	1	130.6400	0.000	1	130.4230	0.032	4	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	3:4:1:	4:4:4:3:	3:4:3:	C-3:Si-4:H-1:	C-4:C-4:C-4:C-3:	C[6a]-3:Si-4:C-3:	C(CC[6a]Si)(SiC3)(H)	Si(CH3)3(CCH)	C(C[6a]C[6a]2)(SiC[6a]3)(CSiH)	C(CC[6a]Si)(SiC3)(H)	Si(CH3)3(CCH)	C(C[6a]C[6a]2)(SiC[6a]3)(CSiH)	130.3507	0.129	3	130.3507	0.017	3	130.3507	0.017	3	130.4230	0.032	4	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	3:4:1:	4:4:4:3:	4:3:1:	C-3:Si-4:H-1:	C-4:C-4:C-4:C-3:	C[3,5]-4:C-3:H-1:	C(CC[3,5]H)(SiC3)(H)	Si(CH3)3(CCH)	C(C[3,5]C[3,5,6]C[3,6]C[5])(CSiH)(H)	C(CC[3,5]H)(SiC3)(H)	Si(CH3)3(CCH)	C(C[3,5]C[3,5,6]C[3,6]C[5])(CSiH)(H)	131.1370	0.000	1	131.1370	0.000	1	131.3477	0.223	3	128.9869	13.511	7	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	3:4:1:	4:4:4:3:	4:3:1:	C-3:Si-4:H-1:	C-4:C-4:C-4:C-3:	C[3,5]-4:C-3:H-1:	C(CC[3,5]H)(SiC3)(H)	Si(CH3)3(CCH)	C(C[3,5]C[3,5]C[3]C[5])(CSiH)(H)	C(CC[3,5]H)(SiC3)(H)	Si(CH3)3(CCH)	C(C[3,5]C[3,5]C[3]C[5])(CSiH)(H)	131.4530	0.617	2	131.4530	0.380	2	131.3477	0.223	3	128.9869	13.511	7	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	3:4:1:	4:4:4:3:	4:3:1:	C-3:Si-4:H-1:	C-4:C-4:C-4:C-3:	C[3]-4:C-3:H-1:	C(CC[3]H)(SiC3)(H)	Si(CH3)3(CCH)	C(C[3]C[3]2H)(CSiH)(H)	C(CC[3]H)(SiC3)(H)	Si(CH3)3(CCH)	C(C[3]C[3]2H)(CSiH)(H)	129.1903	1.516	3	129.1903	2.298	3	129.1903	2.298	3	128.9869	13.511	7	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	3:4:1:	4:4:4:3:	4:3:1:	C-3:Si-4:H-1:	C-4:C-4:C-4:C-3:	C[6,6]-4:C-3:H-1:	C(CC[6,6]H)(SiC3)(H)	Si(CH3)3(CCH)	C(C[6,6]C[5,6,6]C[4x6]H)(CSiH)(H)	C(CC[6,6]H)(SiC3)(H)	Si(CH3)3(CCH)	C(C[6,6]C[5,6,6]C[4x6]H)(CSiH)(H)	121.2940	0.000	1	121.2940	0.000	1	121.2940	0.000	1	128.9869	13.511	7	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	3:4:1:	4:4:4:3:	4:3:3:	C-3:Si-4:H-1:	C-4:C-4:C-4:C-3:	C[3x6]-4:N-3:C-3:	C(CC[3x6]N)(SiC3)(H)	Si(CH3)3(CCH)	C(C[3x6]C[6,6]3)(NAlSi)(CSiH)	C(CC[3x6]N)(SiC3)(H)	Si(CH3)3(CCH)	C(C[3x6]C[6,6]3)(NAlSi)(CSiH)	143.6590	0.000	1	143.6590	0.000	1	143.6590	0.000	1	142.7160	1.778	2	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	3:4:1:	4:4:4:3:	4:3:3:	C-3:Si-4:H-1:	Si-4:Si-4:Si-4:C-3:	Ge[4]-4:C[6a]-3:C-3:	C(CC[6a]Ge[4])(SiSi3)(H)	Si(SiC3)3(CCH)	C(Ge[4]Si[4]C[4]Si)(C[6a]C[6a]2)(CSiH)	C(CC[6a]Ge[4])(SiSi3)(H)	Si(SiC3)3(CCH)	C(Ge[4]Si[4]C[4]Si)(C[6a]C[6a]2)(CSiH)	141.7730	0.000	1	141.7730	0.000	1	141.7730	0.000	1	142.7160	1.778	2	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	3:4:1:	4:4:4:3:	6:3:1:	C-3:Si-4:H-1:	C-4:C-4:C-4:C-3:	B[4x3,5,4x6]-6:C-3:H-1:	C(CB[4x3,5,4x6]H)(SiC3)(H)	Si(CH3)3(CCH)	C(B[4x3,5,4x6]B[4x3,5,5,7x6]2B[5x3,5,5,4x6]H[3]2)(CSiH)(H)	C(CB[4x3,5,4x6]H)(SiC3)(H)	Si(CH3)3(CCH)	C(B[4x3,5,4x6]B[4x3,5,5,7x6]2B[5x3,5,5,4x6]H[3]2)(CSiH)(H)	127.7140	0.000	2	127.7140	0.000	2	127.7140	0.000	2	127.7140	0.000	2	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	3:4:2:	4:4:4:3:	3:2:3:	C-3:Si-4:C-2:	C-4:C-4:C-4:C-3:	C[6a]-3:S-2:C-3:	C(CC[6a]S)(SiC3)(CN)	Si(CH3)3(CCC)	C(C[6a]C[6a]2)(SC[6a])(CSiC)	C(CC[6a]S)(SiC3)(CN)	Si(CH3)3(CCC)	C(C[6a]C[6a]2)(SC[6a])(CSiC)	126.2510	0.000	1	126.2510	0.000	1	126.2510	0.000	1	126.2510	0.000	1	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	3:4:2:	4:4:4:3:	3:3:1:	C-3:Si-4:C-2:	C-4:C-4:C-4:C-3:	C[6a]-3:C-3:H-1:	C(CC[6a]H)(SiC3)(CC)	Si(CH3)3(CCC)	C(C[6a]C[6a]2)(CSiC)(H)	C(CC[6a]H)(SiC3)(CC)	Si(CH3)3(CCC)	C(C[6a]C[6a]2)(CSiC)(H)	119.6470	0.000	1	119.6470	0.000	1	119.6470	0.000	1	119.1900	0.219	3	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	3:4:2:	4:4:4:3:	3:3:1:	C-3:Si-4:C-2:	C-4:C-4:C-4:C-3:	C[6a]-3:C-3:O-1:	C(CC[6a]O)(SiC3)(CC)	Si(CC3)(CH3)2(CCC)	C(C[6a]C[6a]2)(CSiC)(O)	C(CC[6a]O)(SiC3)(CC)	Si(CC3)(CH3)2(CCC)	C(C[6a]C[6a]2)(CSiC)(O)	118.9615	0.353	2	118.9615	0.125	2	118.9615	0.125	2	119.1900	0.219	3	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	3:4:2:	4:4:4:3:	3:3:3:	C-3:Si-4:C-2:	C-4:C-4:C-4:C-3:	C[6a]-3:C[5]-3:C-3:	C(CC[6a]C[5])(SiC3)(CC)	Si(CH3)3(CCC)	C(C[6a]C[6a]2)(C[5]N[5]2)(CSiC)	C(CC[6a]C[5])(SiC3)(CC)	Si(CH3)3(CCC)	C(C[6a]C[6a]2)(C[5]N[5]2)(CSiC)	131.8180	0.000	1	131.8180	0.000	1	131.8180	0.000	1	129.5340	10.433	2	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	3:4:2:	4:4:4:3:	3:3:3:	C-3:Si-4:C-2:	C-4:C-4:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C(CC[6a]2)(SiC3)(CC)	Si(CH3)3(CCC)	C(C[6a]C[6a]2)2(CSiC)	C(CC[6a]2)(SiC3)(CC)	Si(CH3)3(CCC)	C(C[6a]C[6a]2)2(CSiC)	127.2500	0.000	1	127.2500	0.000	1	127.2500	0.000	1	129.5340	10.433	2	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	3:4:2:	4:4:4:3:	4:3:3:	C-3:Si-4:C-2:	C-4:C-4:C-4:C-3:	C[6]-4:C-3:C-3:	C(CC[6]C)(SiC3)(CO)	Si(CCCH)3(CCC)	C(C[6]C[6]2Cr)(CC[3]O)(CSiC)	C(CC[6]C)(SiC3)(CO)	Si(CCCH)3(CCC)	C(C[6]C[6]2Cr)(CC[3]O)(CSiC)	125.7940	2.335	2	125.7940	5.452	2	125.7940	5.452	2	125.7940	5.452	2	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	3:4:3:	3:3:2:1:	3:3:4:	C[6a]-3:Si-4:C-3:	C[5]-3:C-3:N-2:Cl-1:	C[6a]-3:C-3:Si-4:	C(C[6a]C[6a]2)(SiC[5]ClN)(CC[6a]Si)	Si(C[5]N[5]2)(CC[6a]C)(NC[6a])(Cl)	C(C[6a]C[6a]2)(CC[6a]Si)(SiC3)	C(C[6a]C[6a]2)(SiC[5]ClN)(CC[6a]Si)	Si(C[5]N[5]2)(CC[6a]C)(NC[6a])(Cl)	C(C[6a]C[6a]2)(CC[6a]Si)(SiC3)	127.4960	0.000	1	127.4960	0.000	1	127.4960	0.000	1	127.4960	0.000	1	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	3:4:3:	3:3:2:1:	3:4:3:	C[6a]-3:Si-4:C-3:	C[5]-3:C-3:N-2:Cl-1:	C-3:Si-4:C-3:	C(C[6a]C[6a]2)(SiC[5]ClN)(CSiC)	Si(C[5]N[5]2)(CC[6a]C)(NC[6a])(Cl)	C(CC[6a]Si)(SiC3)(COO)	C(C[6a]C[6a]2)(SiC[5]ClN)(CSiC)	Si(C[5]N[5]2)(CC[6a]C)(NC[6a])(Cl)	C(CC[6a]Si)(SiC3)(COO)	124.6090	0.000	1	124.6090	0.000	1	124.6090	0.000	1	124.6090	0.000	1	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	3:4:3:	3:3:3:3:	3:3:1:	C[6a]-3:Si-4:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(SiC[6a]3)(CC[6a]H)	Si(C[6a]C[6a]2)3(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]Si)(H)	C(C[6a]C[6a]2)(SiC[6a]3)(CC[6a]H)	Si(C[6a]C[6a]2)3(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]Si)(H)	118.1650	0.000	1	118.1650	0.000	1	118.1650	0.000	1	118.1650	0.000	1	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	3:4:3:	3:3:3:3:	3:4:1:	C[6a]-3:Si-4:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C-3:Si-4:H-1:	C(C[6a]C[6a]2)(SiC[6a]3)(CSiH)	Si(C[6a]C[6a]2)3(CC[6a]C)	C(CC[6a]Si)(SiC3)(H)	C(C[6a]C[6a]2)(SiC[6a]3)(CSiH)	Si(C[6a]C[6a]2)3(CC[6a]C)	C(CC[6a]Si)(SiC3)(H)	121.5473	0.582	3	121.5473	0.338	3	121.5473	0.338	3	121.5473	0.338	3	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	3:4:3:	3:3:4:3:	3:3:1:	C[6a]-3:Si-4:C-3:	C[6a]-3:C[6a]-3:Si-4:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(SiC[6a]2Si)(CC[6a]H)	Si(C[6a]C[6a]2)2(SiC[6a]2C)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]Si)(H)	C(C[6a]C[6a]2)(SiC[6a]2Si)(CC[6a]H)	Si(C[6a]C[6a]2)2(SiC[6a]2C)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]Si)(H)	117.9243	1.164	6	117.9243	1.356	6	117.9243	1.356	6	117.9243	1.356	6	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	3:4:3:	3:3:4:4:	3:1:1:	C[6a]-3:Si-4:C-3:	C[6a]-3:C-3:C-4:C-4:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(SiC[6a]CC)(CHH)	Si(C[6a]C[6a]2)(CC[6a]C)(CH3)2	C(CC[6a]Si)(H)2	C(C[6a]C[6a]2)(SiC[6a]CC)(CHH)	Si(C[6a]C[6a]2)(CC[6a]C)(CH3)2	C(CC[6a]Si)(H)2	119.5930	0.000	1	119.5930	0.000	1	119.5930	0.000	1	119.5930	0.000	1	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	3:4:3:	3:3:4:4:	3:3:3:	C[6a]-3:Si-4:C-3:	C[6a]-3:C-3:C-4:C-4:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(SiC[6a]CC)(CC[6a]2)	Si(C[6a]C[6a]2)(CC[6a]C)(CH3)2	C(C[6a]C[6a]2)2(CC[6a]Si)	C(C[6a]C[6a]2)(SiC[6a]CC)(CC[6a]2)	Si(C[6a]C[6a]2)(CC[6a]C)(CH3)2	C(C[6a]C[6a]2)2(CC[6a]Si)	124.6320	0.000	1	124.6320	0.000	1	124.6320	0.000	1	124.6320	0.000	1	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	3:4:3:	3:4:4:1:	3:3:1:	C[6a]-3:Si-4:C-3:	C-3:C-4:C-4:H-1:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(SiCCH)(CHN)	Si(CC[6a]C)(CCHH)2(H)	C(CC[6a]Si)(NC[6]S)(H)	C(C[6a]C[6a]2)(SiCCH)(CHN)	Si(CC[6a]C)(CCHH)2(H)	C(CC[6a]Si)(NC[6]S)(H)	124.0230	0.000	1	124.0230	0.000	1	124.0230	0.000	1	124.0230	0.000	1	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	3:4:3:	3:4:4:3:	3:1:1:	C[6a]-3:Si-4:C-3:	C-3:C-4:C-4:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(SiC3)(CHH)	Si(CC[6a]C)(CH3)2(CHH)	C(CC[6a]Si)(H)2	C(C[6a]C[6a]2)(SiC3)(CHH)	Si(CC[6a]C)(CH3)2(CHH)	C(CC[6a]Si)(H)2	119.4080	0.000	1	119.4080	0.000	1	119.4080	0.000	1	119.4080	0.000	1	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	3:4:3:	3:4:4:4:	3:1:1:	C[6a]-3:Si-4:C-3:	C-3:C-4:C-4:C-4:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(SiC3)(CHH)	Si(CC[6a]C)(CCHH)3	C(CC[6a]Si)(H)2	C(C[6a]C[6a]2)(SiC3)(CHH)	Si(CC[6a]C)(CCHH)3	C(CC[6a]Si)(H)2	120.3780	0.000	1	120.3780	0.000	1	120.3780	0.000	1	120.3780	0.000	1	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	3:4:3:	3:4:4:4:	3:3:1:	C-3:Si-4:Ga-3:	C-3:C-4:C-4:C-4:	C[6a]-3:C-3:H-1:	C(CC[6a]H)(SiC3)(GaCC)	Si(CGaC)(CH3)3	C(C[6a]C[6a]2)(CGaSi)(H)	C(CC[6a]H)(SiC3)(GaCC)	Si(CGaC)(CH3)3	C(C[6a]C[6a]2)(CGaSi)(H)	120.9040	6.078	4	120.9040	36.939	4	120.9040	36.939	4	122.3482	52.977	6	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	3:4:3:	3:4:4:4:	3:3:1:	C[4]-3:Si-4:C-3:	C-3:C-4:C-4:C-4:	C-3:N-3:H-1:	C(C[4]N[4]2)(SiC3)(CHN)	Si(CC[4]C)(CH3)3	C(CC[4]Si)(NCC)(H)	C(C[4]N[4]2)(SiC3)(CHN)	Si(CC[4]C)(CH3)3	C(CC[4]Si)(NCC)(H)	133.2690	0.000	1	133.2690	0.000	1	133.2690	0.000	1	122.3482	52.977	6	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	3:4:3:	3:4:4:4:	3:3:1:	C[6a]-3:Si-4:C-3:	C-3:C-4:C-4:C-4:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(SiC3)(CCH)	Si(CC[6a]C)(CCCH)3	C(CC[6a]Si)(CC[6a]O)(H)	C(C[6a]C[6a]2)(SiC3)(CCH)	Si(CC[6a]C)(CCCH)3	C(CC[6a]Si)(CC[6a]O)(H)	117.2040	0.000	1	117.2040	0.000	1	117.2040	0.000	1	122.3482	52.977	6	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	3:4:3:	3:4:4:4:	4:3:1:	C[6a]-3:Si-4:C-3:	C-3:C-4:C-4:C-4:	B-4:C-3:H-1:	C(C[6a]C[6a]2)(SiC3)(CBH)	Si(CC[6a]C)(CH3)3	C(BC[6a]2N[6])(CC[6a]Si)(H)	C(C[6a]C[6a]2)(SiC3)(CBH)	Si(CC[6a]C)(CH3)3	C(BC[6a]2N[6])(CC[6a]Si)(H)	120.8460	0.000	1	120.8460	0.000	1	120.8460	0.000	1	124.0480	10.735	3	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	3:4:3:	3:4:4:4:	4:3:1:	C[6a]-3:Si-4:C-3:	C-3:C-4:C-4:C-4:	Si-4:C-3:H-1:	C(C[6a]C[6a]N[6a])(SiC3)(CSiH)	Si(CC[6a]C)(CH3)3	C(SiC[5]ClN)(CC[6a]Si)(H)	C(C[6a]C[6a]N[6a])(SiC3)(CSiH)	Si(CC[6a]C)(CH3)3	C(SiC[5]ClN)(CC[6a]Si)(H)	125.6490	2.468	2	125.6490	6.090	2	125.6490	6.090	2	124.0480	10.735	3	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	3:4:3:	3:4:4:4:	4:3:2:	C-3:Si-4:Ga-3:	C-3:C-4:C-4:C-4:	C[5,5]-4:C-3:C-2:	C(CC[5,5]C)(SiC3)(GaII)	Si(CGaC)(CH3)3	C(C[5,5]Ga[5,5,6]C[5,5,6]C)(CGaSi)(CC)	C(CC[5,5]C)(SiC3)(GaII)	Si(CGaC)(CH3)3	C(C[5,5]Ga[5,5,6]C[5,5,6]C)(CGaSi)(CC)	124.5520	0.000	2	124.5520	0.000	2	124.5520	0.000	2	124.5520	0.000	2	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	3:4:3:	3:4:4:4:	4:3:4:	C[6a]-3:Si-4:C-3:	C-3:C-4:C-4:C-4:	B-4:C-3:C-4:	C(C[6a]C[6a]2)(SiC3)(CBC)	Si(CC[6a]C)(CH3)3	C(BC[6a]2C)(CC[6a]Si)(CCHH)	C(C[6a]C[6a]2)(SiC3)(CBC)	Si(CC[6a]C)(CH3)3	C(BC[6a]2C)(CC[6a]Si)(CCHH)	134.0960	0.000	1	134.0960	0.000	1	134.0960	0.000	1	134.0960	0.000	1	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	3:4:3:	4:4:4:3:	3:1:1:	C-3:Si-4:C-3:	C-4:C-4:C-4:C-3:	C-3:H-1:H-1:	C(CC[6a]C)(SiC3)(CHH)	Si(CH3)3(CCC)	C(CSiC)(H)2	C(CC[6a]C)(SiC3)(CHH)	Si(CH3)3(CCC)	C(CSiC)(H)2	118.0565	2.238	2	118.0565	5.009	2	118.0565	5.009	2	118.0565	5.009	2	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	3:4:3:	4:4:4:3:	3:2:1:	C-3:Si-4:C-3:	C-4:C-4:C-4:C-3:	C-3:O-2:O-1:	C(CC[6a]Si)(SiC3)(COO)	Si(CH3)3(CCC)	C(CSiC)(OC)(O)	C(CC[6a]Si)(SiC3)(COO)	Si(CH3)3(CCC)	C(CSiC)(OC)(O)	107.5680	0.000	1	107.5680	0.000	1	107.5680	0.000	1	107.5680	0.000	1	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	3:4:3:	4:4:4:3:	3:2:3:	C-3:Si-4:C-3:	C-4:C-4:C-4:C-3:	N-3:N-2:C-3:	C(CN[6]H)(SiC3)(CNN)	Si(CH3)3(CCC)	C(NC[6]Al)(NC[6])(CSiC)	C(CN[6]H)(SiC3)(CNN)	Si(CH3)3(CCC)	C(NC[6]Al)(NC[6])(CSiC)	120.8620	0.000	1	120.8620	0.000	1	120.8620	0.000	1	120.8620	0.000	1	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	3:4:3:	4:4:4:3:	3:3:1:	B-3:Si-4:C-3:	C-4:C-4:C-4:C-3:	C-3:N-3:H-1:	C(BC[6a]2)(SiC3)(CHN)	Si(CH3)3(CBC)	C(CSiB)(NCC)(H)	C(BC[6a]2)(SiC3)(CHN)	Si(CH3)3(CBC)	C(CSiB)(NCC)(H)	112.4400	0.000	1	112.4400	0.000	1	112.4400	0.000	1	112.7905	0.246	2	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	3:4:3:	4:4:4:3:	3:3:1:	C-3:Si-4:C-3:	C-4:C-4:C-4:C-3:	C-3:N-3:O-1:	C(CC[6a]C)(SiC3)(CNO)	Si(CH3)3(CCC)	C(CSiC)(NCH)(O)	C(CC[6a]C)(SiC3)(CNO)	Si(CH3)3(CCC)	C(CSiC)(NCH)(O)	113.1410	0.000	1	113.1410	0.000	1	113.1410	0.000	1	112.7905	0.246	2	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	3:4:3:	4:4:4:3:	3:3:3:	C-3:Si-4:C-3:	C-4:C-4:C-4:C-3:	C[6a]-3:C-3:C-3:	C(CC[6a]C)(SiC3)(CZrC)	Si(CH3)3(CCC)	C(C[6a]C[6a]2)(CC[6a]Zr)(CSiC)	C(CC[6a]C)(SiC3)(CZrC)	Si(CH3)3(CCC)	C(C[6a]C[6a]2)(CC[6a]Zr)(CSiC)	129.0410	0.000	1	129.0410	0.000	1	129.0410	0.000	1	129.0410	0.000	1	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	3:4:3:	4:4:4:3:	3:4:3:	C-3:Si-4:C-3:	C-4:C-4:C-4:C-3:	C[6a]-3:C-4:C-3:	C(CC[6a]C)(SiC3)(CHH)	Si(CH3)3(CCC)	C(C[6a]C[6a,6a]2)(CHHO)(CSiC)	C(CC[6a]C)(SiC3)(CHH)	Si(CH3)3(CCC)	C(C[6a]C[6a,6a]2)(CHHO)(CSiC)	119.4030	2.666	2	119.4030	7.106	2	122.1497	26.186	3	124.8770	47.211	4	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	3:4:3:	4:4:4:3:	3:4:3:	C-3:Si-4:C-3:	C-4:C-4:C-4:C-3:	C[6a]-3:C-4:C-3:	C(CC[6a]C)(SiC3)(CNO)	Si(CH3)3(CCC)	C(C[6a]C[6a]2)(CC[5]HH)(CSiC)	C(CC[6a]C)(SiC3)(CNO)	Si(CH3)3(CCC)	C(C[6a]C[6a]2)(CC[5]HH)(CSiC)	127.6430	0.000	1	127.6430	0.000	1	122.1497	26.186	3	124.8770	47.211	4	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	3:4:3:	4:4:4:3:	3:4:3:	C-3:Si-4:C-3:	C-4:C-4:C-4:C-3:	C[6a]-3:Si-4:C-3:	C(CC[6a]Si)(SiC3)(COO)	Si(CH3)3(CCC)	C(C[6a]C[6a]2)(SiC[5]ClN)(CSiC)	C(CC[6a]Si)(SiC3)(COO)	Si(CH3)3(CCC)	C(C[6a]C[6a]2)(SiC[5]ClN)(CSiC)	133.0590	0.000	1	133.0590	0.000	1	133.0590	0.000	1	124.8770	47.211	4	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	3:4:3:	4:4:4:3:	4:3:1:	C-3:Si-4:C-3:	C-4:C-4:C-4:C-3:	N[6]-4:C-3:H-1:	C(CN[6]H)(SiC3)(CNN)	Si(CH3)3(CCC)	C(N[6]C[6]2Al)(CSiC)(H)	C(CN[6]H)(SiC3)(CNN)	Si(CH3)3(CCC)	C(N[6]C[6]2Al)(CSiC)(H)	116.9580	0.000	1	116.9580	0.000	1	116.9580	0.000	1	116.9580	0.000	1	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	3:4:4:	3:4:4:4:	3:3:1:	C-3:Ga-4:Si-4:	C-3:C-4:C-4:C-4:	C[6a]-3:C-3:H-1:	C(CC[6a]H)(GaCl2O)(SiC3)	Si(CGaC)(CH3)3	C(C[6a]C[6a]2)(CGaSi)(H)	C(CC[6a]H)(GaCl2O)(SiC3)	Si(CGaC)(CH3)3	C(C[6a]C[6a]2)(CGaSi)(H)	121.4177	5.253	3	121.4177	27.589	3	121.4177	27.589	3	120.7636	24.165	5	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	3:4:4:	3:4:4:4:	3:3:1:	C-3:Si-4:Si-4:	C-3:C-4:C-4:C-4:	C[6a]-3:C-3:H-1:	C(CC[6a]H)(SiC3)2	Si(CSiC)(CH3)3	C(C[6a]C[6a]2)(CSi2)(H)	C(CC[6a]H)(SiC3)2	Si(CSiC)(CH3)3	C(C[6a]C[6a]2)(CSi2)(H)	119.7825	6.186	2	119.7825	38.273	2	119.7825	38.273	2	120.7636	24.165	5	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	3:4:4:	4:4:4:3:	3:3:3:	C-3:Si-4:C-4:	C-4:C-4:C-4:C-3:	C[6a]-3:B-3:C-3:	C(CC[6a]B)(SiC3)(CH3)	Si(CH3)3(CCC)	C(C[6a]C[6a]2)(BC[6a]2)(CSiC)	C(CC[6a]B)(SiC3)(CH3)	Si(CH3)3(CCC)	C(C[6a]C[6a]2)(BC[6a]2)(CSiC)	124.8150	0.000	1	124.8150	0.000	1	124.8150	0.000	1	127.6544	3.015	5	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	3:4:4:	4:4:4:3:	3:3:3:	C-3:Si-4:C-4:	C-4:C-4:C-4:C-3:	C[6a]-3:C-3:C-3:	C(CC[6a]C)(SiC3)(CH3)	Si(CH3)3(CCC)	C(C[6a]C[6a]2)(CSiC)(CBC)	C(CC[6a]C)(SiC3)(CH3)	Si(CH3)3(CCC)	C(C[6a]C[6a]2)(CSiC)(CBC)	128.3642	0.813	4	128.3642	0.661	4	128.3642	0.661	4	127.6544	3.015	5	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	3:4:4:	4:4:4:3:	3:4:3:	C-3:Si-4:C-4:	C-4:C-4:C-4:C-3:	C[6a]-3:C-4:C-3:	C(CC[6a]C)(SiC3)(CH3)	Si(CH3)3(CCC)	C(C[6a]C[6a]2)(CHHN)(CSiC)	C(CC[6a]C)(SiC3)(CH3)	Si(CH3)3(CCC)	C(C[6a]C[6a]2)(CHHN)(CSiC)	129.5710	0.000	1	129.5710	0.000	1	129.5710	0.000	1	129.5710	0.000	1	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	3:4:4:	4:4:4:3:	4:3:3:	C-3:Si-4:C-4:	C-4:C-4:C-4:C-3:	B-4:C[6a]-3:C-3:	C(CC[6a]B)(SiC3)(CH3)	Si(CH3)3(CCC)	C(BC[6a]N[6]C)(C[6a]C[6a]2)(CSiC)	C(CC[6a]B)(SiC3)(CH3)	Si(CH3)3(CCC)	C(BC[6a]N[6]C)(C[6a]C[6a]2)(CSiC)	130.6200	0.000	1	130.6200	0.000	1	130.5805	0.003	2	130.5805	0.003	2	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	3:4:4:	4:4:4:3:	4:3:3:	C-3:Si-4:C-4:	C-4:C-4:C-4:C-3:	B-4:C[6a]-3:C-3:	C(CC[6a]B)(SiC3)(CH3)	Si(CH3)3(CCC)	C(BC[6a]N[6]Cl)(C[6a]C[6a]2)(CSiC)	C(CC[6a]B)(SiC3)(CH3)	Si(CH3)3(CCC)	C(BC[6a]N[6]Cl)(C[6a]C[6a]2)(CSiC)	130.5410	0.000	1	130.5410	0.000	1	130.5805	0.003	2	130.5805	0.003	2	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	4:3:1:	2:4:3:2:	3:3:1:	Si-4:C-3:H-1:	N-2:Si-4:C-3:O-2:	C-3:C-3:H-1:	C(SiSiNO)(CCH)(H)	Si(NC[5])(SiC3)(CCH)(OH)	C(CSiH)(CHP)(H)	C(SiSiNO)(CCH)(H)	Si(NC[5])(SiC3)(CCH)(OH)	C(CSiH)(CHP)(H)	125.9900	0.000	1	125.9900	0.000	1	125.9900	0.000	1	125.9900	0.000	1	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	4:3:1:	3:1:1:1:	4:3:1:	Si-4:C-3:H-1:	C-3:Cl-1:Cl-1:Cl-1:	Si-4:C-3:H-1:	C(SiCl3)(CSiH)(H)	Si(CCH)(Cl)3	C(SiC[6a]2C)(CSiH)(H)	C(SiCl3)(CSiH)(H)	Si(CCH)(Cl)3	C(SiC[6a]2C)(CSiH)(H)	123.3360	0.000	1	123.3360	0.000	1	123.3360	0.000	1	123.3360	0.000	1	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	4:3:1:	3:2:2:2:	3:1:1:	Si-4:C-3:H-1:	C-3:O-2:O-2:O-2:	C-3:H-1:H-1:	C(SiO3)(CHH)(H)	Si(CCH)(OSi)3	C(CSiH)(H)2	C(SiO3)(CHH)(H)	Si(CCH)(OSi)3	C(CSiH)(H)2	123.5560	0.246	3	123.5560	0.060	3	123.5560	0.060	3	123.5560	0.060	3	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	4:3:1:	3:2:3:1:	3:4:3:	Si-4:C-3:H-1:	C[5]-3:N-2:C-3:Cl-1:	C[6a]-3:Si-4:C-3:	C(SiC[5]ClN)(CC[6a]Si)(H)	Si(C[5]N[5]2)(NC[6a])(CCH)(Cl)	C(C[6a]C[6a]N[6a])(SiC3)(CSiH)	C(SiC[5]ClN)(CC[6a]Si)(H)	Si(C[5]N[5]2)(NC[6a])(CCH)(Cl)	C(C[6a]C[6a]N[6a])(SiC3)(CSiH)	135.8285	0.663	2	135.8285	0.439	2	135.8285	0.439	2	135.8285	0.439	2	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	4:3:1:	3:2:3:1:	4:3:3:	Si-4:C-3:H-1:	C[5]-3:N-2:C-3:Cl-1:	Si-4:C-3:C-3:	C(SiC[5]ClN)(CSiC)(H)	Si(C[5]N[5]2)(NC[6a])(CCH)(Cl)	C(SiC3)(CSiH)(COO)	C(SiC[5]ClN)(CSiC)(H)	Si(C[5]N[5]2)(NC[6a])(CCH)(Cl)	C(SiC3)(CSiH)(COO)	135.1070	0.000	1	135.1070	0.000	1	135.1070	0.000	1	135.1070	0.000	1	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	4:3:1:	3:3:2:2:	3:3:1:	Si-4:C-3:H-1:	C[6a]-3:C-3:C-2:C-2:	C[6a]-3:C-3:H-1:	C(SiC[6a]CC)(CC[6a]H)(H)	Si(C[6a]C[6a]2)(CCH)(CC)2	C(C[6a]C[6a]2)(CSiH)(H)	C(SiC[6a]CC)(CC[6a]H)(H)	Si(C[6a]C[6a]2)(CCH)(CC)2	C(C[6a]C[6a]2)(CSiH)(H)	133.3600	0.000	1	133.3600	0.000	1	133.3600	0.000	1	133.3600	0.000	1	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	4:3:1:	3:3:3:1:	4:3:1:	Si-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:H-1:	Si-4:C-3:H-1:	C(SiC[6a]2H)(CSiH)(H)	Si(C[6a]C[6a]2)2(CCH)(H)	C(SiC[6a]3)(CSiH)(H)	C(SiC[6a]2H)(CSiH)(H)	Si(C[6a]C[6a]2)2(CCH)(H)	C(SiC[6a]3)(CSiH)(H)	125.3880	0.000	1	125.3880	0.000	1	125.3880	0.000	1	125.3880	0.000	1	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	4:3:1:	3:3:3:2:	3:1:1:	Si-4:C-3:H-1:	C-3:C-3:C-3:O-2:	C-3:H-1:H-1:	C(SiCCO)(CHH)(H)	Si(CCH)3(OSi)	C(CSiH)(H)2	C(SiCCO)(CHH)(H)	Si(CCH)3(OSi)	C(CSiH)(H)2	124.5792	1.426	12	124.5792	2.033	12	124.5792	2.033	12	124.5792	2.033	12	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	4:3:1:	3:3:3:3:	3:1:1:	Si-4:C-3:H-1:	C-3:C-3:C-3:C-3:	C-3:H-1:H-1:	C(SiC3)(CHH)(H)	Si(CCH)4	C(CSiH)(H)2	C(SiC3)(CHH)(H)	Si(CCH)4	C(CSiH)(H)2	124.6370	0.812	4	124.6370	0.659	4	124.6370	0.659	4	124.7475	0.537	8	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	4:3:1:	3:3:3:3:	3:1:1:	Si-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:C-3:	C-3:H-1:H-1:	C(SiC[6a]2C)(CHH)(H)	Si(C[6a]C[6a]2)2(CCH)2	C(CSiH)(H)2	C(SiC[6a]2C)(CHH)(H)	Si(C[6a]C[6a]2)2(CCH)2	C(CSiH)(H)2	124.8580	0.749	4	124.8580	0.561	4	124.8580	0.561	4	124.7475	0.537	8	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	4:3:1:	3:3:3:3:	3:3:1:	Si-4:C-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(SiC[6a]3)(CC[6a]H)(H)	Si(C[6a]C[6a]2)3(CCH)	C(C[6a]C[6a]2)(CSiH)(H)	C(SiC[6a]3)(CC[6a]H)(H)	Si(C[6a]C[6a]2)3(CCH)	C(C[6a]C[6a]2)(CSiH)(H)	126.8150	0.000	1	126.8150	0.000	1	126.8150	0.000	1	126.8150	0.000	1	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	4:3:1:	3:3:3:3:	3:3:3:	Si-4:C-3:H-1:	N-3:C[6a]-3:C-3:N-3:	C[6a]-3:P-3:C-3:	C(SiC[6a]NN)(CC[6a]P)(H)	Si(NC[5,6]C[6a])(C[6a]C[6a]2)(CCH)(NCC)	C(C[6a]C[6a]2)(PC[5,6]N)(CSiH)	C(SiC[6a]NN)(CC[6a]P)(H)	Si(NC[5,6]C[6a])(C[6a]C[6a]2)(CCH)(NCC)	C(C[6a]C[6a]2)(PC[5,6]N)(CSiH)	128.3200	0.000	1	128.3200	0.000	1	128.3200	0.000	1	128.3200	0.000	1	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	4:3:1:	3:3:3:3:	4:3:1:	Si-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:C-3:	Si-4:C-3:H-1:	C(SiC[6a]2C)(CSiH)(H)	Si(C[6a]C[6a]2)2(CCH)2	C(SiCl3)(CSiH)(H)	C(SiC[6a]2C)(CSiH)(H)	Si(C[6a]C[6a]2)2(CCH)2	C(SiCl3)(CSiH)(H)	125.0920	0.000	1	125.0920	0.000	1	125.3840	0.171	2	127.0364	3.224	5	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	4:3:1:	3:3:3:3:	4:3:1:	Si-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:C-3:	Si-4:C-3:H-1:	C(SiC[6a]2C)(CSiH)(H)	Si(C[6a]C[6a]2)2(CCH)2	C(SiClCC)(CSiH)(H)	C(SiC[6a]2C)(CSiH)(H)	Si(C[6a]C[6a]2)2(CCH)2	C(SiClCC)(CSiH)(H)	125.6760	0.000	1	125.6760	0.000	1	125.3840	0.171	2	127.0364	3.224	5	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	4:3:1:	3:3:3:3:	4:3:1:	Si-4:C-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(SiC[6a]3)(CCH)(H)	Si(C[6a]C[6a]2)3(CCH)	C(CCCO)(CSiH)(H)	C(SiC[6a]3)(CCH)(H)	Si(C[6a]C[6a]2)3(CCH)	C(CCCO)(CSiH)(H)	126.5840	0.000	1	126.5840	0.000	1	126.5840	0.000	1	127.0364	3.224	5	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	4:3:1:	3:3:3:3:	4:3:1:	Si-4:C-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	Si-4:C-3:H-1:	C(SiC[6a]3)(CSiH)(H)	Si(C[6a]C[6a]2)3(CCH)	C(SiC3)(CSiH)(H)	C(SiC[6a]3)(CSiH)(H)	Si(C[6a]C[6a]2)3(CCH)	C(SiC3)(CSiH)(H)	128.8840	0.000	1	128.8840	0.000	1	128.9150	0.002	2	127.0364	3.224	5	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	4:3:1:	3:3:3:3:	4:3:1:	Si-4:C-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	Si-4:C-3:H-1:	C(SiC[6a]3)(CSiH)(H)	Si(C[6a]C[6a]2)3(CCH)	C(SiC[6a]2H)(CSiH)(H)	C(SiC[6a]3)(CSiH)(H)	Si(C[6a]C[6a]2)3(CCH)	C(SiC[6a]2H)(CSiH)(H)	128.9460	0.000	1	128.9460	0.000	1	128.9150	0.002	2	127.0364	3.224	5	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	4:3:1:	3:3:4:3:	3:1:1:	Si-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:C-3:	C-3:H-1:H-1:	C(SiC[6a]2C)(CHH)(H)	Si(C[6a]C[6a]2)2(CH3)(CCH)	C(CSiH)(H)2	C(SiC[6a]2C)(CHH)(H)	Si(C[6a]C[6a]2)2(CH3)(CCH)	C(CSiH)(H)2	124.6510	0.000	1	124.6510	0.000	1	124.6510	0.000	1	124.6510	0.000	1	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	4:3:1:	3:4:4:3:	3:1:1:	Si-4:C-3:H-1:	C[6a]-3:C-4:C-4:C-3:	C-3:H-1:H-1:	C(SiC[6a]CC)(CHH)(H)	Si(C[6a]C[6a]2)(CCHH)2(CCH)	C(CSiH)(H)2	C(SiC[6a]CC)(CHH)(H)	Si(C[6a]C[6a]2)(CCHH)2(CCH)	C(CSiH)(H)2	124.0790	1.083	2	124.0790	1.174	2	125.2657	4.811	3	125.2657	4.811	3	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	4:3:1:	3:4:4:3:	3:1:1:	Si-4:C-3:H-1:	C[6a]-3:C-4:C-4:C-3:	C-3:H-1:H-1:	C(SiC[6a]CC)(CHH)(H)	Si(C[6a]C[6a]2)(CH3)2(CCH)	C(CSiH)(H)2	C(SiC[6a]CC)(CHH)(H)	Si(C[6a]C[6a]2)(CH3)2(CCH)	C(CSiH)(H)2	127.6390	0.000	1	127.6390	0.000	1	125.2657	4.811	3	125.2657	4.811	3	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	4:3:1:	3:4:4:3:	4:3:1:	Si-4:C-3:H-1:	C[6a]-3:C-4:C-4:C-3:	Si-4:C-3:H-1:	C(SiC[6a]CC)(CSiH)(H)	Si(C[6a]C[6a]2)(CH3)2(CCH)	C(SiC[6a]CC)(CSiH)(H)	C(SiC[6a]CC)(CSiH)(H)	Si(C[6a]C[6a]2)(CH3)2(CCH)	C(SiC[6a]CC)(CSiH)(H)	126.4180	0.000	1	126.4180	0.000	1	126.4180	0.000	1	126.4180	0.000	1	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	4:3:1:	4:3:1:1:	3:1:1:	Si-4:C-3:H-1:	C-4:C-3:Cl-1:Cl-1:	C-3:H-1:H-1:	C(SiCl2C)(CHH)(H)	Si(CSiCH)(CCH)(Cl)2	C(CSiH)(H)2	C(SiCl2C)(CHH)(H)	Si(CSiCH)(CCH)(Cl)2	C(CSiH)(H)2	123.4080	0.000	1	123.4080	0.000	1	123.4080	0.000	1	123.4080	0.000	1	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	4:3:1:	4:4:3:1:	4:3:1:	Si-4:C-3:H-1:	C-4:C-4:C-3:Cl-1:	Si-4:C-3:H-1:	C(SiClCC)(CSiH)(H)	Si(CH3)2(CCH)(Cl)	C(SiC[6a]2C)(CSiH)(H)	C(SiClCC)(CSiH)(H)	Si(CH3)2(CCH)(Cl)	C(SiC[6a]2C)(CSiH)(H)	123.2860	0.000	1	123.2860	0.000	1	123.2860	0.000	1	123.2860	0.000	1	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	4:3:1:	4:4:3:2:	3:1:1:	Si-4:C-3:H-1:	C-4:C-4:C-3:O-2:	C-3:H-1:H-1:	C(SiCCO)(CHH)(H)	Si(CH3)2(CCH)(OSi)	C(CSiH)(H)2	C(SiCCO)(CHH)(H)	Si(CH3)2(CCH)(OSi)	C(CSiH)(H)2	126.1605	0.926	4	126.1605	0.858	4	126.1605	0.858	4	127.6657	5.048	7	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	4:3:1:	4:4:3:2:	3:1:1:	Si-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:O-2:	C-3:H-1:H-1:	C(SiC[5]2O)(CHH)(H)	Si(C[5]C[5]2Fe)2(CCH)(OC)	C(CSiH)(H)2	C(SiC[5]2O)(CHH)(H)	Si(C[5]C[5]2Fe)2(CCH)(OC)	C(CSiH)(H)2	131.7360	0.000	1	131.7360	0.000	1	129.6727	3.285	3	127.6657	5.048	7	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	4:3:1:	4:4:3:2:	3:1:1:	Si-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:O-2:	C-3:H-1:H-1:	C(SiC[5]2O)(CHH)(H)	Si(C[5]C[5]2Fe)2(CCH)(OH)	C(CSiH)(H)2	C(SiC[5]2O)(CHH)(H)	Si(C[5]C[5]2Fe)2(CCH)(OH)	C(CSiH)(H)2	128.9450	0.000	1	128.9450	0.000	1	129.6727	3.285	3	127.6657	5.048	7	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	4:3:1:	4:4:3:2:	3:1:1:	Si-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:O-2:	C-3:H-1:H-1:	C(SiC[5]2O)(CHH)(H)	Si(C[5]C[5]2Fe)2(CCH)(OSi)	C(CSiH)(H)2	C(SiC[5]2O)(CHH)(H)	Si(C[5]C[5]2Fe)2(CCH)(OSi)	C(CSiH)(H)2	128.3370	0.000	1	128.3370	0.000	1	129.6727	3.285	3	127.6657	5.048	7	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	4:3:1:	4:4:3:2:	3:3:1:	Si-4:C-3:H-1:	Si-4:Si-4:C-3:N-2:	C-3:C-3:H-1:	C(SiSi2N)(CCH)(H)	Si(SiC3)2(CCH)(NC)	C(CSiH)(CCN)(H)	C(SiSi2N)(CCH)(H)	Si(SiC3)2(CCH)(NC)	C(CSiH)(CCN)(H)	127.0680	0.000	1	127.0680	0.000	1	127.0680	0.000	1	127.0680	0.000	1	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	4:3:1:	4:4:3:3:	4:3:1:	Si-4:C-3:H-1:	C-4:C-4:C-3:N-3:	C-4:C-3:H-1:	C(SiCCN)(CCH)(H)	Si(CH3)2(CCH)(NCC)	C(CLiCH)(CSiH)(H)	C(SiCCN)(CCH)(H)	Si(CH3)2(CCH)(NCC)	C(CLiCH)(CSiH)(H)	124.9990	0.634	2	124.9990	0.401	2	124.9990	0.401	2	124.9990	0.401	2	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	4:3:1:	4:4:3:3:	4:3:2:	Si-4:C-3:H-1:	C-4:C-4:C-3:C-3:	C-4:C-3:C-2:	C(SiC3)(CCC)(H)	Si(CH3)2(CCH)(CHH)	C(CRu2C)(CSiH)(CC)	C(SiC3)(CCC)(H)	Si(CH3)2(CCH)(CHH)	C(CRu2C)(CSiH)(CC)	124.9430	0.000	1	124.9430	0.000	1	124.9430	0.000	1	124.9430	0.000	1	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	4:3:1:	4:4:4:3:	3:1:1:	Si-4:C-3:H-1:	C-4:C-4:C-4:C-3:	C-3:H-1:H-1:	C(SiC3)(CHH)(H)	Si(CPtHH)(CH3)2(CCH)	C(CSiH)(H)2	C(SiC3)(CHH)(H)	Si(CPtHH)(CH3)2(CCH)	C(CSiH)(H)2	126.6380	0.000	1	126.6380	0.000	1	126.6380	0.000	1	125.4795	0.854	4	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	4:3:1:	4:4:4:3:	3:1:1:	Si-4:C-3:H-1:	C[5]-4:C-4:C-4:C-3:	C-3:H-1:H-1:	C(SiC[5]CC)(CHH)(H)	Si(C[5]C[5,6]C[5]H)(CH3)2(CCH)	C(CSiH)(H)2	C(SiC[5]CC)(CHH)(H)	Si(C[5]C[5,6]C[5]H)(CH3)2(CCH)	C(CSiH)(H)2	124.8360	0.000	1	124.8360	0.000	1	124.8360	0.000	1	125.4795	0.854	4	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	4:3:1:	4:4:4:3:	3:1:1:	Si-4:C-3:H-1:	C[5]-4:C[5]-4:C[5]-4:C-3:	C-3:H-1:H-1:	C(SiC[5]3)(CHH)(H)	Si(C[5]C[5]2Fe)3(CCH)	C(CSiH)(H)2	C(SiC[5]3)(CHH)(H)	Si(C[5]C[5]2Fe)3(CCH)	C(CSiH)(H)2	125.8020	0.000	1	125.8020	0.000	1	125.8020	0.000	1	125.4795	0.854	4	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	4:3:1:	4:4:4:3:	3:1:1:	Si-4:C-3:H-1:	C[5]-4:C[6]-4:C-4:C-3:	C-3:H-1:H-1:	C(SiC[5]C[6]C)(CHH)(H)	Si(C[5]C[5]2Fe)(C[6]C[6]2Cr)(CH3)(CCH)	C(CSiH)(H)2	C(SiC[5]C[6]C)(CHH)(H)	Si(C[5]C[5]2Fe)(C[6]C[6]2Cr)(CH3)(CCH)	C(CSiH)(H)2	124.6420	0.000	1	124.6420	0.000	1	124.6420	0.000	1	125.4795	0.854	4	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	4:3:1:	4:4:4:3:	3:3:1:	Si-4:C-3:H-1:	C-4:C-4:C-4:C-3:	C-3:C-3:H-1:	C(SiC3)(CCH)(H)	Si(CH3)3(CCH)	C(CC[6a]O)(CSiH)(H)	C(SiC3)(CCH)(H)	Si(CH3)3(CCH)	C(CC[6a]O)(CSiH)(H)	126.9730	0.000	1	126.9730	0.000	1	126.8743	5.752	20	126.7360	5.408	23	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	4:3:1:	4:4:4:3:	3:3:1:	Si-4:C-3:H-1:	C-4:C-4:C-4:C-3:	C-3:C-3:H-1:	C(SiC3)(CCH)(H)	Si(CH3)3(CCH)	C(CSiH)(CCC)(H)	C(SiC3)(CCH)(H)	Si(CH3)3(CCH)	C(CSiH)(CCC)(H)	126.3567	2.294	12	126.3567	5.265	12	126.8743	5.752	20	126.7360	5.408	23	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	4:3:1:	4:4:4:3:	3:3:1:	Si-4:C-3:H-1:	C-4:C-4:C-4:C-3:	C-3:C-3:H-1:	C(SiC3)(CCH)(H)	Si(CH3)3(CCH)	C(CSiH)(CNO)(H)	C(SiC3)(CCH)(H)	Si(CH3)3(CCH)	C(CSiH)(CNO)(H)	130.6740	0.764	2	130.6740	0.583	2	126.8743	5.752	20	126.7360	5.408	23	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	4:3:1:	4:4:4:3:	3:3:1:	Si-4:C-3:H-1:	C-4:C-4:C-4:C-3:	C-3:C-3:H-1:	C(SiC3)(CCH)(H)	Si(CH3)3(CCH)	C(CSiH)(CNS)(H)	C(SiC3)(CCH)(H)	Si(CH3)3(CCH)	C(CSiH)(CNS)(H)	129.4440	0.000	1	129.4440	0.000	1	126.8743	5.752	20	126.7360	5.408	23	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	4:3:1:	4:4:4:3:	3:3:1:	Si-4:C-3:H-1:	C-4:C-4:C-4:C-3:	C-3:C-3:H-1:	C(SiC3)(CCH)(H)	Si(CH3)3(CCH)	C(CSiH)2(H)	C(SiC3)(CCH)(H)	Si(CH3)3(CCH)	C(CSiH)2(H)	125.8600	1.630	4	125.8600	2.656	4	126.8743	5.752	20	126.7360	5.408	23	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	4:3:1:	4:4:4:3:	3:3:1:	Si-4:C-3:H-1:	C-4:C-4:C-4:C-3:	C-3:N-3:H-1:	C(SiC3)(CHN)(H)	Si(CH3)3(CCH)	C(CSiH)(NLiC)(H)	C(SiC3)(CHN)(H)	Si(CH3)3(CCH)	C(CSiH)(NLiC)(H)	127.5490	0.000	1	127.5490	0.000	1	127.5490	0.000	1	126.7360	5.408	23	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	4:3:1:	4:4:4:3:	3:3:1:	Si-4:C-3:I-1:	C-4:C-4:C-4:C-3:	C-3:C-3:H-1:	C(SiC3)(CCH)(I)	Si(CH3)3(CCI)	C(CSiI)(CCH)(H)	C(SiC3)(CCH)(I)	Si(CH3)3(CCI)	C(CSiI)(CCH)(H)	124.9470	1.500	2	124.9470	2.251	2	124.9470	2.251	2	126.7360	5.408	23	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	4:3:1:	4:4:4:3:	4:3:1:	Si-4:C-3:H-1:	C-4:C-4:C-4:C-3:	C-4:C-3:H-1:	C(SiC3)(CCH)(H)	Si(CH3)3(CCH)	C(CAlSiH)(CSiH)(H)	C(SiC3)(CCH)(H)	Si(CH3)3(CCH)	C(CAlSiH)(CSiH)(H)	126.4027	0.796	3	126.4027	0.633	3	126.0425	1.393	21	126.0968	1.364	23	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	4:3:1:	4:4:4:3:	4:3:1:	Si-4:C-3:H-1:	C-4:C-4:C-4:C-3:	C-4:C-3:H-1:	C(SiC3)(CCH)(H)	Si(CH3)3(CCH)	C(CAsSiH)(CSiH)(H)	C(SiC3)(CCH)(H)	Si(CH3)3(CCH)	C(CAsSiH)(CSiH)(H)	125.0387	1.016	3	125.0387	1.032	3	126.0425	1.393	21	126.0968	1.364	23	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	4:3:1:	4:4:4:3:	4:3:1:	Si-4:C-3:H-1:	C-4:C-4:C-4:C-3:	C-4:C-3:H-1:	C(SiC3)(CCH)(H)	Si(CH3)3(CCH)	C(CFeSiH)(CSiH)(H)	C(SiC3)(CCH)(H)	Si(CH3)3(CCH)	C(CFeSiH)(CSiH)(H)	125.0730	0.000	1	125.0730	0.000	1	126.0425	1.393	21	126.0968	1.364	23	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	4:3:1:	4:4:4:3:	4:3:1:	Si-4:C-3:H-1:	C-4:C-4:C-4:C-3:	C-4:C-3:H-1:	C(SiC3)(CCH)(H)	Si(CH3)3(CCH)	C(CHHS)(CSiH)(H)	C(SiC3)(CCH)(H)	Si(CH3)3(CCH)	C(CHHS)(CSiH)(H)	126.1260	0.000	1	126.1260	0.000	1	126.0425	1.393	21	126.0968	1.364	23	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	4:3:1:	4:4:4:3:	4:3:1:	Si-4:C-3:H-1:	C-4:C-4:C-4:C-3:	C-4:C-3:H-1:	C(SiC3)(CCH)(H)	Si(CH3)3(CCH)	C(CMnSiH)(CSiH)(H)	C(SiC3)(CCH)(H)	Si(CH3)3(CCH)	C(CMnSiH)(CSiH)(H)	127.7047	0.402	4	127.7047	0.162	4	126.0425	1.393	21	126.0968	1.364	23	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	4:3:1:	4:4:4:3:	4:3:1:	Si-4:C-3:H-1:	C-4:C-4:C-4:C-3:	C-4:C-3:H-1:	C(SiC3)(CCH)(H)	Si(CH3)3(CCH)	C(CRuCC)(CSiH)(H)	C(SiC3)(CCH)(H)	Si(CH3)3(CCH)	C(CRuCC)(CSiH)(H)	125.8160	0.000	1	125.8160	0.000	1	126.0425	1.393	21	126.0968	1.364	23	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	4:3:1:	4:4:4:3:	4:3:1:	Si-4:C-3:H-1:	C-4:C-4:C-4:C-3:	C-4:C-3:H-1:	C(SiC3)(CCH)(H)	Si(CH3)3(CCH)	C(CSeHH)(CSiH)(H)	C(SiC3)(CCH)(H)	Si(CH3)3(CCH)	C(CSeHH)(CSiH)(H)	124.7280	0.000	1	124.7280	0.000	1	126.0425	1.393	21	126.0968	1.364	23	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	4:3:1:	4:4:4:3:	4:3:1:	Si-4:C-3:H-1:	C-4:C-4:C-4:C-3:	C-4:C-3:H-1:	C(SiC3)(CCH)(H)	Si(CH3)3(CCH)	C(CSiSnH)(CSiH)(H)	C(SiC3)(CCH)(H)	Si(CH3)3(CCH)	C(CSiSnH)(CSiH)(H)	126.3353	0.870	4	126.3353	0.757	4	126.0425	1.393	21	126.0968	1.364	23	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	4:3:1:	4:4:4:3:	4:3:1:	Si-4:C-3:H-1:	C-4:C-4:C-4:C-3:	C-4:C-3:H-1:	C(SiC3)(CCH)(H)	Si(CH3)3(CCH)	C(CSiZnH)(CSiH)(H)	C(SiC3)(CCH)(H)	Si(CH3)3(CCH)	C(CSiZnH)(CSiH)(H)	124.8887	0.353	3	124.8887	0.124	3	126.0425	1.393	21	126.0968	1.364	23	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	4:3:1:	4:4:4:3:	4:3:1:	Si-4:C-3:H-1:	C-4:C-4:C-4:C-3:	N-4:C-3:H-1:	C(SiC3)(CHN)(H)	Si(CH3)3(CCH)	C(NLi2C)(CSiH)(H)	C(SiC3)(CHN)(H)	Si(CH3)3(CCH)	C(NLi2C)(CSiH)(H)	125.8200	0.000	1	125.8200	0.000	1	125.8200	0.000	1	126.0968	1.364	23	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	4:3:1:	4:4:4:3:	4:3:1:	Si-4:C-3:H-1:	C-4:C-4:C-4:C-3:	Si-4:C-3:H-1:	C(SiC3)(CSiH)(H)	Si(CH3)3(CCH)	C(SiC[6a]3)(CSiH)(H)	C(SiC3)(CSiH)(H)	Si(CH3)3(CCH)	C(SiC[6a]3)(CSiH)(H)	127.5130	0.000	1	127.5130	0.000	1	127.5130	0.000	1	126.0968	1.364	23	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	4:3:1:	4:4:4:3:	4:3:4:	Si-4:C-3:H-1:	C[5]-4:C-4:C-4:C-3:	Si-4:C-3:C-4:	C(SiC[5]CC)(CSiC)(H)	Si(C[5]C[5]2Cr)(CH3)2(CCH)	C(SiC3)(CSiH)(CH3)	C(SiC[5]CC)(CSiC)(H)	Si(C[5]C[5]2Cr)(CH3)2(CCH)	C(SiC3)(CSiH)(CH3)	134.4660	0.000	1	134.4660	0.000	1	134.4660	0.000	1	134.4660	0.000	1	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	4:3:1:	5:3:3:3:	3:1:1:	Si-4:C-3:H-1:	C[3x3,4,3x5,14x6]-5:C-3:C-3:C-3:	C-3:H-1:H-1:	C(SiC[3x3,4,3x5,14x6]CC)(CHH)(H)	Si(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CCH)3	C(CSiH)(H)2	C(SiC[3x3,4,3x5,14x6]CC)(CHH)(H)	Si(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CCH)3	C(CSiH)(H)2	123.0231	0.764	12	123.0231	0.583	12	123.0231	0.583	12	123.2612	1.271	13	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	4:3:1:	5:3:3:3:	3:1:1:	Si-4:C-3:H-1:	Ge[3,3,4,4,4x6]-5:C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(SiGe[3,3,4,4,4x6]C[6a]2)(CHH)(H)	Si(Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6]4)(C[6a]C[6a]2)2(CCH)	C(CSiH)(H)2	C(SiGe[3,3,4,4,4x6]C[6a]2)(CHH)(H)	Si(Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6]4)(C[6a]C[6a]2)2(CCH)	C(CSiH)(H)2	126.1180	0.000	1	126.1180	0.000	1	126.1180	0.000	1	123.2612	1.271	13	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	4:3:1:	5:4:4:3:	3:1:1:	Si-4:C-3:H-1:	C[3x3,4,3x5,14x6]-5:C-4:C-4:C-3:	C-3:H-1:H-1:	C(SiC[3x3,4,3x5,14x6]CC)(CHH)(H)	Si(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CH3)2(CCH)	C(CSiH)(H)2	C(SiC[3x3,4,3x5,14x6]CC)(CHH)(H)	Si(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CH3)2(CCH)	C(CSiH)(H)2	124.1820	1.253	2	124.1820	1.570	2	124.1820	1.570	2	124.1820	1.570	2	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	4:3:1:	5:4:4:3:	4:3:1:	Si-4:C-3:H-1:	C[3x3,4,3x5,14x6]-5:C-4:C-4:C-3:	Si-4:C-3:H-1:	C(SiC[3x3,4,3x5,14x6]CC)(CSiH)(H)	Si(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CH3)2(CCH)	C(SiC[3x3,4,3x5,14x6]CC)(CSiH)(H)	C(SiC[3x3,4,3x5,14x6]CC)(CSiH)(H)	Si(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CH3)2(CCH)	C(SiC[3x3,4,3x5,14x6]CC)(CSiH)(H)	128.9260	0.000	1	128.9260	0.000	1	128.9260	0.000	1	128.9260	0.000	1	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	4:3:1:	5:4:4:3:	4:3:3:	Si-4:C-3:H-1:	C[3x3,4,3x5,14x6]-5:C-4:C-4:C-3:	Si-4:C[6a]-3:C-3:	C(SiC[3x3,4,3x5,14x6]CC)(CC[6a]Si)(H)	Si(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CCHH)2(CCH)	C(SiC[3x3,4,3x5,14x6]CC)(C[6a]C[6a]2)(CSiH)	C(SiC[3x3,4,3x5,14x6]CC)(CC[6a]Si)(H)	Si(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CCHH)2(CCH)	C(SiC[3x3,4,3x5,14x6]CC)(C[6a]C[6a]2)(CSiH)	130.3600	0.000	1	130.3600	0.000	1	130.3600	0.000	1	130.3600	0.000	1	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	4:3:1:	6:3:3:3:	3:1:1:	Si-4:C-3:H-1:	C[5x3,5x5,20x6]-6:C-3:C-3:C-3:	C-3:H-1:H-1:	C(SiC[5x3,5x5,20x6]CC)(CHH)(H)	Si(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CCH)3	C(CSiH)(H)2	C(SiC[5x3,5x5,20x6]CC)(CHH)(H)	Si(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CCH)3	C(CSiH)(H)2	123.0310	0.724	6	123.0310	0.524	6	123.0310	0.524	6	123.0310	0.524	6	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	4:3:2:	3:3:3:3:	3:3:1:	Si-4:C-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(SiC[6a]3)(CC[6a]H)(CC)	Si(C[6a]C[6a]2)3(CCC)	C(C[6a]C[6a]2)(CSiC)(H)	C(SiC[6a]3)(CC[6a]H)(CC)	Si(C[6a]C[6a]2)3(CCC)	C(C[6a]C[6a]2)(CSiC)(H)	119.7240	0.000	1	119.7240	0.000	1	119.7240	0.000	1	119.7240	0.000	1	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	4:3:2:	3:3:3:3:	3:4:1:	Si-4:C-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(SiC[6a]3)(CCH)(CC)	Si(C[6a]C[6a]2)3(CCC)	C(CSiC)(CC3)(H)	C(SiC[6a]3)(CCH)(CC)	Si(C[6a]C[6a]2)3(CCC)	C(CSiC)(CC3)(H)	116.5310	0.000	1	116.5310	0.000	1	119.8115	21.523	2	119.8115	21.523	2	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	4:3:2:	3:3:3:3:	3:4:1:	Si-4:C-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(SiC[6a]3)(CCH)(CC)	Si(C[6a]C[6a]2)3(CCC)	C(CSiC)(CH3)(H)	C(SiC[6a]3)(CCH)(CC)	Si(C[6a]C[6a]2)3(CCC)	C(CSiC)(CH3)(H)	123.0920	0.000	1	123.0920	0.000	1	119.8115	21.523	2	119.8115	21.523	2	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	4:3:2:	3:3:4:3:	3:3:1:	Si-4:C-3:C-2:	C[6a]-3:C[6a]-3:C-4:C-3:	C-3:C-3:Cl-1:	C(SiC[6a]2C)(CClC)(CC)	Si(C[6a]C[6a]2)2(CC3)(CCC)	C(CSiC)(CCH)(Cl)	C(SiC[6a]2C)(CClC)(CC)	Si(C[6a]C[6a]2)2(CC3)(CCC)	C(CSiC)(CCH)(Cl)	119.3970	0.000	1	119.3970	0.000	1	119.3970	0.000	1	119.3970	0.000	1	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	4:3:2:	3:4:4:4:	3:2:2:	Si-4:C-3:Ge-2:	C-3:C-4:C-4:C-4:	C-3:Ge-2:C-2:	C(SiC3)(CGeC)(GeN)	Si(CGeC)(CH3)3	C(CGeSi)(GeN)(CC)	C(SiC3)(CGeC)(GeN)	Si(CGeC)(CH3)3	C(CGeSi)(GeN)(CC)	119.5530	0.000	1	119.5530	0.000	1	119.5530	0.000	1	119.5530	0.000	1	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	4:3:2:	4:4:4:3:	3:3:4:	Si-4:C-3:C-2:	C-4:C-4:C-4:C-3:	C-3:C-3:C-4:	C(SiC3)(CCC)(COs)	Si(CH3)3(CCC)	C(CSiC)2(CH3)	C(SiC3)(CCC)(COs)	Si(CH3)3(CCC)	C(CSiC)2(CH3)	126.6720	0.000	1	126.6720	0.000	1	126.6720	0.000	1	126.6720	0.000	1	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	4:3:2:	4:4:4:3:	3:4:3:	Si-4:C-3:C-2:	C-4:C-4:C-4:C-3:	C-3:C-4:C-3:	C(SiC3)(CCC)(COs)	Si(CH3)3(CCC)	C(CSiC)(CH3)(CCN)	C(SiC3)(CCC)(COs)	Si(CH3)3(CCC)	C(CSiC)(CH3)(CCN)	125.8310	0.000	1	125.8310	0.000	1	125.8310	0.000	1	125.8310	0.000	1	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	4:3:2:	4:4:4:3:	4:3:1:	Si-4:C-3:O-2:	C-4:C-4:C-4:C-3:	C-4:C-3:H-1:	C(SiC3)(CCH)(OC)	Si(CH3)3(CCO)	C(CC[6a]CH)(CSiO)(H)	C(SiC3)(CCH)(OC)	Si(CH3)3(CCO)	C(CC[6a]CH)(CSiO)(H)	122.1190	0.000	1	122.1190	0.000	1	123.8390	3.633	3	123.8390	3.633	3	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	4:3:2:	4:4:4:3:	4:3:1:	Si-4:C-3:O-2:	C-4:C-4:C-4:C-3:	C-4:C-3:H-1:	C(SiC3)(CCH)(OC)	Si(CH3)3(CCO)	C(CC[6a]SiH)(CSiO)(H)	C(SiC3)(CCH)(OC)	Si(CH3)3(CCO)	C(CC[6a]SiH)(CSiO)(H)	125.8880	0.000	1	125.8880	0.000	1	123.8390	3.633	3	123.8390	3.633	3	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	4:3:2:	4:4:4:3:	4:3:1:	Si-4:C-3:O-2:	C-4:C-4:C-4:C-3:	C-4:C-3:H-1:	C(SiC3)(CCH)(OC)	Si(CH3)3(CCO)	C(CC[6a]SnH)(CSiO)(H)	C(SiC3)(CCH)(OC)	Si(CH3)3(CCO)	C(CC[6a]SnH)(CSiO)(H)	123.5100	0.000	1	123.5100	0.000	1	123.8390	3.633	3	123.8390	3.633	3	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	4:3:2:	4:4:4:3:	4:3:2:	Si-4:C-3:C-2:	C-4:C-4:C-4:C-3:	C-4:C-3:C-2:	C(SiC3)(CCC)(CC)	Si(CH3)3(CCC)	C(CCHH)(CSiC)(CC)	C(SiC3)(CCC)(CC)	Si(CH3)3(CCC)	C(CCHH)(CSiC)(CC)	124.5230	0.000	1	124.5230	0.000	1	124.5230	0.000	1	122.9008	2.834	4	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	4:3:2:	4:4:4:3:	4:3:2:	Si-4:C-3:C-2:	C-4:C-4:C-4:C-3:	Si-4:C-3:C-2:	C(SiC3)(CSiC)(CC)	Si(CH3)3(CCC)	C(SiC3)(CSiC)(CC)	C(SiC3)(CSiC)(CC)	Si(CH3)3(CCC)	C(SiC3)(CSiC)(CC)	122.0780	0.000	1	122.0780	0.000	1	122.3600	2.496	3	122.9008	2.834	4	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	4:3:2:	4:4:4:3:	4:3:2:	Si-4:C-3:C-2:	C-4:C-4:C-4:C-3:	Si-4:C-3:C-2:	C(SiC3)(CSiC)(CC)	Si(CH3)3(CCC)	C(SiC3)(CSiC)(CO)	C(SiC3)(CSiC)(CC)	Si(CH3)3(CCC)	C(SiC3)(CSiC)(CO)	120.9400	0.000	1	120.9400	0.000	1	122.3600	2.496	3	122.9008	2.834	4	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	4:3:2:	4:4:4:3:	4:3:2:	Si-4:C-3:C-2:	C-4:C-4:C-4:C-3:	Si-4:C-3:C-2:	C(SiC3)(CSiC)(CO)	Si(CH3)3(CCC)	C(SiC3)(CSiC)(CC)	C(SiC3)(CSiC)(CO)	Si(CH3)3(CCC)	C(SiC3)(CSiC)(CC)	124.0620	0.000	1	124.0620	0.000	1	122.3600	2.496	3	122.9008	2.834	4	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	4:3:3:	3:3:3:2:	4:4:3:	Si-4:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:O-2:	C-4:C-4:C-3:	C(SiC[6a]2O)(CRuH)(CCC)	Si(C[6a]C[6a]2)2(CCC)(OC)	C(CRuCH)(CCHH)(CSiC)	C(SiC[6a]2O)(CRuH)(CCC)	Si(C[6a]C[6a]2)2(CCC)(OC)	C(CRuCH)(CCHH)(CSiC)	124.4830	0.000	1	124.4830	0.000	1	124.4830	0.000	1	124.4830	0.000	1	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	4:3:3:	4:4:4:3:	2:3:2:	Si-4:C-3:C-3:	C-4:C-4:C-4:C-3:	N-2:C-3:S-2:	C(SiC3)(CCU)(CNS)	Si(CH3)3(CCC)	C(NC[6a])(CSiC)(SU)	C(SiC3)(CCU)(CNS)	Si(CH3)3(CCC)	C(NC[6a])(CSiC)(SU)	119.7490	0.000	1	119.7490	0.000	1	119.7490	0.000	1	119.7490	0.000	1	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	4:3:3:	4:4:4:3:	3:1:1:	Si-4:C-3:C-3:	C-4:C-4:C-4:C-3:	C-3:H-1:H-1:	C(SiC3)(CCC)(CHH)	Si(CH3)3(CCC)	C(CSiC)(H)2	C(SiC3)(CCC)(CHH)	Si(CH3)3(CCC)	C(CSiC)(H)2	116.8980	0.000	1	116.8980	0.000	1	116.8980	0.000	1	116.8980	0.000	1	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	4:3:3:	4:4:4:3:	3:2:1:	Si-4:C-3:C-3:	C-4:C-4:C-4:C-3:	C-3:C-2:H-1:	C(SiC3)(CSiC)(CCH)	Si(CH3)3(CCC)	C(CSiC)(CC)(H)	C(SiC3)(CSiC)(CCH)	Si(CH3)3(CCC)	C(CSiC)(CC)(H)	123.2695	0.631	2	123.2695	0.399	2	123.2695	0.399	2	116.6350	45.259	5	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	4:3:3:	4:4:4:3:	3:2:1:	Si-4:C-3:C-3:	C-4:C-4:C-4:C-3:	C-3:O-2:O-1:	C(SiC3)(CCP)(COO)	Si(CH3)3(CCC)	C(CSiC)(OC)(O)	C(SiC3)(CCP)(COO)	Si(CH3)3(CCC)	C(CSiC)(OC)(O)	110.1035	2.691	2	110.1035	7.239	2	112.2120	16.957	3	116.6350	45.259	5	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	4:3:3:	4:4:4:3:	3:2:1:	Si-4:C-3:C-3:	C-4:C-4:C-4:C-3:	C-3:O-2:O-1:	C(SiC3)(CSiH)(COO)	Si(CH3)3(CCC)	C(CSiC)(OC)(O)	C(SiC3)(CSiH)(COO)	Si(CH3)3(CCC)	C(CSiC)(OC)(O)	116.4290	0.000	1	116.4290	0.000	1	112.2120	16.957	3	116.6350	45.259	5	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	4:3:3:	4:4:4:3:	3:3:1:	Si-4:C-3:C-3:	C-4:C-4:C-4:C-3:	P-3:C-3:H-1:	C(SiC3)(CCO)(CHP)	Si(CH3)3(CCC)	C(PC[6a]Li)(CSiC)(H)	C(SiC3)(CCO)(CHP)	Si(CH3)3(CCC)	C(PC[6a]Li)(CSiC)(H)	118.7445	0.172	2	118.7445	0.030	2	118.7445	0.030	2	118.7445	0.030	2	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	4:3:3:	4:4:4:3:	3:3:2:	Si-4:C-3:C-3:	C-4:C-4:C-4:C-3:	C-3:C-3:C-2:	C(SiC3)(CZrC)(CCC)	Si(CH3)3(CCC)	C(CC[6a]Zr)(CSiC)(CC)	C(SiC3)(CZrC)(CCC)	Si(CH3)3(CCC)	C(CC[6a]Zr)(CSiC)(CC)	127.7050	0.000	1	127.7050	0.000	1	127.7050	0.000	1	127.7050	0.000	1	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	4:3:3:	4:4:4:3:	3:3:4:	Si-4:C-3:C-3:	C-4:C-4:C-4:C-3:	C-3:C-3:C-4:	C(SiC3)(COsH)(CCC)	Si(CH3)3(CCC)	C(CSiC)2(CH3)	C(SiC3)(COsH)(CCC)	Si(CH3)3(CCC)	C(CSiC)2(CH3)	123.1240	0.000	1	123.1240	0.000	1	123.1240	0.000	1	122.2657	0.606	3	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	4:3:3:	4:4:4:3:	3:3:4:	Si-4:C-3:C-3:	C-4:C-4:C-4:C-3:	C-3:O-3:C-4:	C(SiC3)(CCO)(CHP)	Si(CH3)3(CCC)	C(CSiC)(OLi2)(CH3)	C(SiC3)(CCO)(CHP)	Si(CH3)3(CCC)	C(CSiC)(OLi2)(CH3)	121.8365	0.327	2	121.8365	0.107	2	121.8365	0.107	2	122.2657	0.606	3	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	4:3:3:	4:4:4:3:	3:4:3:	Si-4:C-3:C-3:	C-4:C-4:C-4:C-3:	C-3:C-4:C-3:	C(SiC3)(COsH)(CCC)	Si(CH3)3(CCC)	C(CSiC)(CH3)(CCH)	C(SiC3)(COsH)(CCC)	Si(CH3)3(CCC)	C(CSiC)(CH3)(CCH)	122.2540	0.000	1	122.2540	0.000	1	122.2540	0.000	1	122.2540	0.000	1	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	4:3:3:	4:4:4:3:	4:3:1:	Si-4:C-3:C-3:	C-4:C-4:C-4:C-3:	Si-4:C-3:H-1:	C(SiC3)(CSiH)(COO)	Si(CH3)3(CCC)	C(SiC[5]ClN)(CSiC)(H)	C(SiC3)(CSiH)(COO)	Si(CH3)3(CCC)	C(SiC[5]ClN)(CSiC)(H)	128.9820	0.000	1	128.9820	0.000	1	128.9820	0.000	1	128.9820	0.000	1	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	4:3:3:	4:4:4:3:	4:3:3:	Si-4:C-3:C-3:	C-4:C-4:C-4:C-3:	C-4:C-3:C-3:	C(SiC3)(CCC)(CHH)	Si(CH3)3(CCC)	C(CC[5]HH)(CSiTi)(CSiC)	C(SiC3)(CCC)(CHH)	Si(CH3)3(CCC)	C(CC[5]HH)(CSiTi)(CSiC)	124.2370	0.000	1	124.2370	0.000	1	124.2370	0.000	1	125.3708	58.014	5	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	4:3:3:	4:4:4:3:	4:3:3:	Si-4:C-3:C-3:	C-4:C-4:C-4:C-3:	P-4:C-3:C-3:	C(SiC3)(CCP)(COO)	Si(CH3)3(CCC)	C(PC[6a]2N)(CSiC)(COO)	C(SiC3)(CCP)(COO)	Si(CH3)3(CCC)	C(PC[6a]2N)(CSiC)(COO)	133.1045	2.894	2	133.1045	8.376	2	133.1045	8.376	2	125.3708	58.014	5	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	4:3:3:	4:4:4:3:	4:3:3:	Si-4:C-3:C-3:	C-4:C-4:C-4:C-3:	Si-4:C-3:C-3:	C(SiC3)(CSiC)(CCH)	Si(CH3)3(CCC)	C(SiC3)(CSiC)(CCH)	C(SiC3)(CSiC)(CCH)	Si(CH3)3(CCC)	C(SiC3)(CSiC)(CCH)	118.2040	0.216	2	118.2040	0.047	2	118.2040	0.047	2	125.3708	58.014	5	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	4:3:3:	5:3:4:4:	4:3:1:	Si-4:C[6a]-3:C-3:	C[3x3,4,3x5,14x6]-5:C-3:C-4:C-4:	Si-4:C-3:H-1:	C(SiC[3x3,4,3x5,14x6]CC)(C[6a]C[6a]2)(CSiH)	Si(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CC[6a]C)(CCHH)2	C(SiC[3x3,4,3x5,14x6]CC)(CC[6a]Si)(H)	C(SiC[3x3,4,3x5,14x6]CC)(C[6a]C[6a]2)(CSiH)	Si(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CC[6a]C)(CCHH)2	C(SiC[3x3,4,3x5,14x6]CC)(CC[6a]Si)(H)	124.6360	0.000	1	124.6360	0.000	1	124.6360	0.000	1	124.6360	0.000	1	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	4:3:4:	3:4:4:4:	3:3:1:	Ga[4]-4:C-3:Si-4:	C-3:C-4:C-4:C-4:	C[6a]-3:C-3:H-1:	C(Ga[4]Cl[4]2Cl)(CC[6a]H)(SiC3)	Si(CGa[4]C)(CH3)3	C(C[6a]C[6a]2)(CGa[4]Si)(H)	C(Ga[4]Cl[4]2Cl)(CC[6a]H)(SiC3)	Si(CGa[4]C)(CH3)3	C(C[6a]C[6a]2)(CGa[4]Si)(H)	120.3984	2.975	14	120.3984	8.850	14	120.3984	8.850	14	120.3984	8.850	14	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	4:3:4:	3:4:4:4:	4:3:3:	C[6]-4:C-3:Si-4:	C-3:C-4:C-4:C-4:	B-4:C[6a]-3:C-3:	C(C[6]C[6]2H)(CC[6a]B)(SiC3)	Si(CC[6]C)(CH3)3	C(BC[6a]N[6]Cl)(C[6a]C[6a]2)(CC[6]Si)	C(C[6]C[6]2H)(CC[6a]B)(SiC3)	Si(CC[6]C)(CH3)3	C(BC[6a]N[6]Cl)(C[6a]C[6a]2)(CC[6]Si)	126.3185	0.585	2	126.3185	0.342	2	126.3185	0.342	2	126.3185	0.342	2	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	4:3:4:	4:4:4:3:	3:3:1:	B-4:C-3:Si-4:	C-4:C-4:C-4:C-3:	C[6a]-3:C-3:H-1:	C(BC[5]HH)(CC[6a]H)(SiC3)	Si(CH3)3(CBC)	C(C[6a]C[6a]2)(CSiB)(H)	C(BC[5]HH)(CC[6a]H)(SiC3)	Si(CH3)3(CBC)	C(C[6a]C[6a]2)(CSiB)(H)	125.1990	0.000	1	125.1990	0.000	1	125.1990	0.000	1	126.3805	2.792	2	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	4:3:4:	4:4:4:3:	3:3:1:	P-4:C-3:Si-4:	C-4:C-4:C-4:C-3:	C[6a]-3:C-3:H-1:	C(PC[6a]OO)(CC[6a]H)(SiC3)	Si(CH3)3(CCP)	C(C[6a]C[6a]2)(CSiP)(H)	C(PC[6a]OO)(CC[6a]H)(SiC3)	Si(CH3)3(CCP)	C(C[6a]C[6a]2)(CSiP)(H)	127.5620	0.000	1	127.5620	0.000	1	127.5620	0.000	1	126.3805	2.792	2	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	4:3:4:	4:4:4:3:	4:3:1:	Si-4:C-3:C-4:	C-4:C-4:C-4:C-3:	Si-4:C-3:H-1:	C(SiC3)(CSiH)(CH3)	Si(CCrCC)(CH3)2(CCC)	C(SiC[5]CC)(CSiC)(H)	C(SiC3)(CSiH)(CH3)	Si(CCrCC)(CH3)2(CCC)	C(SiC[5]CC)(CSiC)(H)	126.2400	0.000	1	126.2400	0.000	1	126.2400	0.000	1	126.2400	0.000	1	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	4:4:3:	3:1:1:1:	4:4:3:	Si-4:Si-4:C-3:	C-3:Cl-1:Cl-1:Cl-1:	Si-4:Si-4:C-3:	C(SiCl3)2(CSi2)	Si(CSiC)(Cl)3	C(SiCl3)2(CSi2)	C(SiCl3)2(CSi2)	Si(CSiC)(Cl)3	C(SiCl3)2(CSi2)	124.1033	0.516	4	124.1033	0.267	4	124.1033	0.267	4	124.1033	0.267	4	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	4:4:3:	3:3:3:3:	4:4:3:	Si-4:C-4:C-3:	N-3:C[6a]-3:C-3:N-3:	P-4:C-4:C-3:	C(SiC[6a]NN)(CCHH)(CCP)	Si(NC[5,6]C[6a])(C[6a]C[6a]2)(CCC)(NCC)	C(PC[5,6]RhN)(CCHH)(CSiC)	C(SiC[6a]NN)(CCHH)(CCP)	Si(NC[5,6]C[6a])(C[6a]C[6a]2)(CCC)(NCC)	C(PC[5,6]RhN)(CCHH)(CSiC)	126.3840	0.000	1	126.3840	0.000	1	126.3840	0.000	1	126.3840	0.000	1	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	4:4:3:	3:3:3:4:	3:4:1:	C[3]-4:Si-4:C-3:	C[6a]-3:C[6a]-3:C-3:C-4:	C-3:C-4:H-1:	C(C[3]C[3]O[3]H)(SiC[6a]2C)(CCH)	Si(C[6a]C[6a]2)2(CC[3]C)(CC3)	C(CC[3]Si)(CCHH)(H)	C(C[3]C[3]O[3]H)(SiC[6a]2C)(CCH)	Si(C[6a]C[6a]2)2(CC[3]C)(CC3)	C(CC[3]Si)(CCHH)(H)	125.5745	0.135	2	125.5745	0.018	2	125.5745	0.018	2	125.5745	0.018	2	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	4:4:3:	3:4:4:3:	3:1:1:	Si-4:C-4:C-3:	C[6a]-3:C-4:C-4:C-3:	C-3:H-1:H-1:	C(SiC[6a]CC)(CCCH)(CHH)	Si(C[6a]C[6a]2)(CH3)2(CCC)	C(CSiC)(H)2	C(SiC[6a]CC)(CCCH)(CHH)	Si(C[6a]C[6a]2)(CH3)2(CCC)	C(CSiC)(H)2	120.3553	0.926	3	120.3553	0.858	3	119.9408	0.756	5	119.9408	0.756	5	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	4:4:3:	3:4:4:3:	3:1:1:	Si-4:C-4:C-3:	C[6a]-3:C-4:C-4:C-3:	C-3:H-1:H-1:	C(SiC[6a]CC)(CC[4]HH)(CHH)	Si(C[6a]C[6a]2)(CH3)2(CCC)	C(CSiC)(H)2	C(SiC[6a]CC)(CC[4]HH)(CHH)	Si(C[6a]C[6a]2)(CH3)2(CCC)	C(CSiC)(H)2	119.4170	0.000	1	119.4170	0.000	1	119.9408	0.756	5	119.9408	0.756	5	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	4:4:3:	3:4:4:3:	3:1:1:	Si-4:C-4:C-3:	C[6a]-3:C-4:C-4:C-3:	C-3:H-1:H-1:	C(SiC[6a]CC)(CC[5]CH)(CHH)	Si(C[6a]C[6a]2)(CH3)2(CCC)	C(CSiC)(H)2	C(SiC[6a]CC)(CC[5]CH)(CHH)	Si(C[6a]C[6a]2)(CH3)2(CCC)	C(CSiC)(H)2	119.2210	0.000	1	119.2210	0.000	1	119.9408	0.756	5	119.9408	0.756	5	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	4:4:3:	3:4:4:3:	4:3:1:	Si-4:C-4:C-3:	C[6a]-3:C-4:C-4:C-3:	C-4:C-3:H-1:	C(SiC[6a]CC)(CCHH)(CCH)	Si(C[6a]C[6a]2)(CH3)2(CCC)	C(CC[6a]SiH)(CSiC)(H)	C(SiC[6a]CC)(CCHH)(CCH)	Si(C[6a]C[6a]2)(CH3)2(CCC)	C(CC[6a]SiH)(CSiC)(H)	118.9750	0.000	1	118.9750	0.000	1	119.7770	0.575	3	119.7770	0.575	3	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	4:4:3:	3:4:4:3:	4:3:1:	Si-4:C-4:C-3:	C[6a]-3:C-4:C-4:C-3:	C-4:C-3:H-1:	C(SiC[6a]CC)(CH3)(CCH)	Si(C[6a]C[6a]2)(CH3)2(CCC)	C(CCHH)(CSiC)(H)	C(SiC[6a]CC)(CH3)(CCH)	Si(C[6a]C[6a]2)(CH3)2(CCC)	C(CCHH)(CSiC)(H)	120.1780	0.431	2	120.1780	0.186	2	119.7770	0.575	3	119.7770	0.575	3	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	4:4:3:	3:4:4:4:	3:1:1:	C[6]-4:Si-4:C-3:	C-3:C-4:C-4:C-4:	C-3:H-1:H-1:	C(C[6]C[6]2H)(SiC3)(CHH)	Si(CC[6]C)(CH3)3	C(CC[6]Si)(H)2	C(C[6]C[6]2H)(SiC3)(CHH)	Si(CC[6]C)(CH3)3	C(CC[6]Si)(H)2	120.9700	0.000	1	120.9700	0.000	1	120.9700	0.000	1	120.9700	0.000	1	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	4:4:3:	4:4:4:3:	3:1:1:	C-4:Si-4:C-3:	C-4:C-4:C-4:C-3:	C-3:H-1:H-1:	C(CCCH)(SiC3)(CHH)	Si(CH3)3(CCC)	C(CSiC)(H)2	C(CCCH)(SiC3)(CHH)	Si(CH3)3(CCC)	C(CSiC)(H)2	120.9440	0.000	1	120.9440	0.000	1	120.9440	0.000	1	120.9440	0.000	1	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	4:4:3:	4:4:4:3:	3:2:1:	C-4:Si-4:C-3:	C-4:C-4:C-4:C-3:	C-3:C-2:H-1:	C(CCHO)(SiC3)(CCH)	Si(CH3)3(CCC)	C(CSiC)(CC)(H)	C(CCHO)(SiC3)(CCH)	Si(CH3)3(CCC)	C(CSiC)(CC)(H)	121.9690	0.000	1	121.9690	0.000	1	122.6615	0.959	2	124.7518	6.145	4	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	4:4:3:	4:4:4:3:	3:2:1:	C-4:Si-4:C-3:	C-4:C-4:C-4:C-3:	C-3:C-2:H-1:	C(CC[6a]HN)(SiC3)(CCH)	Si(CH3)3(CCC)	C(CSiC)(CC)(H)	C(CC[6a]HN)(SiC3)(CCH)	Si(CH3)3(CCC)	C(CSiC)(CC)(H)	123.3540	0.000	1	123.3540	0.000	1	122.6615	0.959	2	124.7518	6.145	4	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	4:4:3:	4:4:4:3:	3:2:1:	Si-4:C-4:C-3:	C-4:C-4:C-4:C-3:	C-3:C-2:H-1:	C(SiC3)(CH3)(CCH)	Si(CH3)3(CCC)	C(CSiC)(CW)(H)	C(SiC3)(CH3)(CCH)	Si(CH3)3(CCC)	C(CSiC)(CW)(H)	126.8420	0.000	2	126.8420	0.000	2	126.8420	0.000	2	124.7518	6.145	4	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	4:4:3:	4:4:4:3:	3:3:3:	Si-4:C-4:C-3:	C-4:C-4:C-4:C-3:	B-3:C-3:C-3:	C(SiC3)(CH3)(CBC)	Si(CH3)3(CCC)	C(BC[6a]Br)(CC[6a]C)(CSiC)	C(SiC3)(CH3)(CBC)	Si(CH3)3(CCC)	C(BC[6a]Br)(CC[6a]C)(CSiC)	125.2740	0.000	1	125.2740	0.000	1	125.0855	0.071	2	124.9710	0.075	3	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	4:4:3:	4:4:4:3:	3:3:3:	Si-4:C-4:C-3:	C-4:C-4:C-4:C-3:	B-3:C-3:C-3:	C(SiC3)(CH3)(CBC)	Si(CH3)3(CCC)	C(BC[6a]Cl)(CC[6a]C)(CSiC)	C(SiC3)(CH3)(CBC)	Si(CH3)3(CCC)	C(BC[6a]Cl)(CC[6a]C)(CSiC)	124.8970	0.000	1	124.8970	0.000	1	125.0855	0.071	2	124.9710	0.075	3	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	4:4:3:	4:4:4:3:	3:3:3:	Si-4:C-4:C-3:	C-4:C-4:C-4:C-3:	C-3:C-3:B-3:	C(SiC3)(CH3)(CBC)	Si(CH3)3(CCC)	C(CC[6a]C)(CSiC)(BOO)	C(SiC3)(CH3)(CBC)	Si(CH3)3(CCC)	C(CC[6a]C)(CSiC)(BOO)	124.7420	0.000	1	124.7420	0.000	1	124.7420	0.000	1	124.9710	0.075	3	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	4:4:3:	4:4:4:3:	3:4:2:	Si-4:C-4:C-3:	C-4:C-4:C-4:C-3:	C-3:C-4:C-2:	C(SiC3)(CH3)(CCC)	Si(CH3)3(CCC)	C(CSiC)(CH3)(CW)	C(SiC3)(CH3)(CCC)	Si(CH3)3(CCC)	C(CSiC)(CH3)(CW)	129.5220	0.000	2	129.5220	0.000	2	129.5220	0.000	2	129.5220	0.000	2	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	4:4:3:	4:4:4:3:	4:3:1:	C-4:Si-4:C-3:	C-4:C-4:C-4:C-3:	C-4:C-3:H-1:	C(CCHH)(SiC3)(CCH)	Si(CH3)3(CCC)	C(CCCH)(CSiC)(H)	C(CCHH)(SiC3)(CCH)	Si(CH3)3(CCC)	C(CCCH)(CSiC)(H)	126.0910	0.000	1	126.0910	0.000	1	123.8143	2.740	4	123.1410	21.720	8	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	4:4:3:	4:4:4:3:	4:3:1:	C-4:Si-4:C-3:	C-4:C-4:C-4:C-3:	C-4:C-3:H-1:	C(CC[6a]HN)(SiC3)(CCH)	Si(CH3)3(CCC)	C(CCCH)(CSiC)(H)	C(CC[6a]HN)(SiC3)(CCH)	Si(CH3)3(CCC)	C(CCCH)(CSiC)(H)	122.6300	0.000	1	122.6300	0.000	1	123.8143	2.740	4	123.1410	21.720	8	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	4:4:3:	4:4:4:3:	4:3:1:	C-4:Si-4:C-3:	C-4:C-4:C-4:C-3:	C-4:C-3:H-1:	C(CRhCH)(SiC3)(CCH)	Si(CH3)3(CCC)	C(CRhCH)(CSiC)(H)	C(CRhCH)(SiC3)(CCH)	Si(CH3)3(CCC)	C(CRhCH)(CSiC)(H)	123.2680	1.018	2	123.2680	1.037	2	123.8143	2.740	4	123.1410	21.720	8	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	4:4:3:	4:4:4:3:	4:3:1:	S-4:Si-4:C-3:	C-4:C-4:C-4:C-3:	C-4:C-3:H-1:	C(SC[6a]NO)(SiC3)(CCH)	Si(CH3)3(CCS)	C(CCCH)(CSiS)(H)	C(SC[6a]NO)(SiC3)(CCH)	Si(CH3)3(CCS)	C(CCCH)(CSiS)(H)	124.8900	0.498	2	124.8900	0.248	2	124.8900	0.248	2	123.1410	21.720	8	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	4:4:3:	4:4:4:3:	4:3:1:	Si-4:Si-4:C-3:	C-4:C-4:C-4:C-3:	C-4:C-3:H-1:	C(SiC3)2(CCH)	Si(CCHH)3(CSiC)	C(CC[6]HO)(CSi2)(H)	C(SiC3)2(CCH)	Si(CCHH)3(CSiC)	C(CC[6]HO)(CSi2)(H)	120.0455	10.793	2	120.0455	116.480	2	120.0455	116.480	2	123.1410	21.720	8	124.7933	23.175	347	124.7933	23.175	347
930	880	930	0:SP2_SP2_SP3	C	Si	C	4:4:3:	4:4:4:3:	4:3:3:	Si-4:C-4:C-3:	C-4:C-4:C-4:C-3:	B-4:C-3:C-3:	C(SiC3)(CH3)(CBC)	Si(CH3)3(CCC)	C(BC[6a]N[6]Cl)(CC[6a]C)(CSiC)	C(SiC3)(CH3)(CBC)	Si(CH3)3(CCC)	C(BC[6a]N[6]Cl)(CC[6a]C)(CSiC)	132.1620	0.000	1	132.1620	0.000	1	132.1620	0.000	1	132.1620	0.000	1	124.7933	23.175	347	124.7933	23.175	347
930	880	940	0:SP2_SP-NON_SP3	C	Si	P	3:2:4:	4:4:4:3:	3:3:	P-3:P-2:Si-4:	C-4:C-4:C-4:C-3:	C[6a]-3:C-3:	C(PC[6a]2)(PC[6a])(SiC3)	Si(CH3)3(CPP)	P(C[6a]C[6a]2)(CSiP)	C(PC[6a]2)(PC[6a])(SiC3)	Si(CH3)3(CPP)	P(C[6a]C[6a]2)(CSiP)	134.2140	0.000	1	134.2140	0.000	1	134.2140	0.000	1	134.2140	0.000	1	128.3310	119.248	5	128.3310	119.248	5
930	880	940	0:SP2_SP-NON_SP3	C	Si	P	4:2:4:	4:4:4:3:	3:3:	P-4:P-2:Si-4:	C-4:C-4:C-4:C-3:	C[6a]-3:C-3:	C(PC[6a]2S)(PC[6a])(SiC3)	Si(CH3)3(CPP)	P(C[6a]C[6a]2)(CSiP)	C(PC[6a]2S)(PC[6a])(SiC3)	Si(CH3)3(CPP)	P(C[6a]C[6a]2)(CSiP)	133.7080	0.181	2	133.7080	0.033	2	133.7080	0.033	2	133.7080	0.033	2	128.3310	119.248	5	128.3310	119.248	5
930	880	940	0:SP2_SP-NON_SP3	C	Si	P	4:4:2:	3:4:4:4:	3:3:	Si-4:Si-4:P-2:	C-3:C-4:C-4:C-4:	C-3:C-3:	C(SiC3)2(PC)	Si(CSiP)(CH3)3	P(CN[6]N)(CSi2)	C(SiC3)2(PC)	Si(CSiP)(CH3)3	P(CN[6]N)(CSi2)	120.0125	15.689	2	120.0125	246.131	2	120.0125	246.131	2	120.0125	246.131	2	128.3310	119.248	5	128.3310	119.248	5
930	880	941	0:SP2_SP2_SP3	C	Si	N	2:4:1:	4:4:4:3:	3:3:	N-2:Si-4:H-1:	C-4:C-4:C-4:C-3:	N[4]-3:C-3:	C(NN[4])(SiC3)(H)	Si(CH3)3(CHN)	N(N[4]Si[4,4]2)(CSiH)	C(NN[4])(SiC3)(H)	Si(CH3)3(CHN)	N(N[4]Si[4,4]2)(CSiH)	123.4460	0.000	1	123.4460	0.000	1	123.4460	0.000	1	123.4460	0.000	1	117.2108	12.566	15	117.2108	12.566	15
930	880	941	0:SP2_SP2_SP3	C	Si	N	3:4:2:	3:3:3:4:	3:1:	C[5]-3:Si-4:N-2:	C[6a]-3:C[6a]-3:C-3:C-4:	C-3:N-1:	C(C[5]C[5,5]N[5])(SiC[6a]2C)(NN)	Si(C[6a]C[6a]2)2(CC[5]N)(CC3)	N(CC[5]Si)(N)	C(C[5]C[5,5]N[5])(SiC[6a]2C)(NN)	Si(C[6a]C[6a]2)2(CC[5]N)(CC3)	N(CC[5]Si)(N)	115.6450	0.000	1	115.6450	0.000	1	115.6450	0.000	1	115.6450	0.000	1	117.2108	12.566	15	117.2108	12.566	15
930	880	941	0:SP2_SP2_SP3	C	Si	N	3:4:2:	3:4:4:4:	3:1:	B[5a]-3:Si-4:N-2:	C-3:C-4:C-4:C-4:	C-3:N-1:	C(B[5a]N[5a]2)(SiC3)(NN)	Si(CB[5a]N)(CH3)3	N(CB[5a]Si)(N)	C(B[5a]N[5a]2)(SiC3)(NN)	Si(CB[5a]N)(CH3)3	N(CB[5a]Si)(N)	114.4130	0.000	1	114.4130	0.000	1	114.4130	0.000	1	118.9125	40.491	2	117.2108	12.566	15	117.2108	12.566	15
930	880	941	0:SP2_SP2_SP3	C	Si	N	3:4:2:	3:4:4:4:	3:1:	Ge[6]-3:Si-4:N-2:	C-3:C-4:C-4:C-4:	C-3:N-1:	C(Ge[6]N[6]2)(SiC3)(NN)	Si(CGe[6]N)(CH3)3	N(CGe[6]Si)(N)	C(Ge[6]N[6]2)(SiC3)(NN)	Si(CGe[6]N)(CH3)3	N(CGe[6]Si)(N)	123.4120	0.000	1	123.4120	0.000	1	123.4120	0.000	1	118.9125	40.491	2	117.2108	12.566	15	117.2108	12.566	15
930	880	941	0:SP2_SP2_SP3	C	Si	N	3:4:2:	3:4:4:4:	4:3:	C[6a]-3:Si-4:N-2:	C-3:C-4:C-4:C-4:	Si-4:C-3:	C(C[6a]C[6a]2)(SiC3)(NSi)	Si(CC[6a]N)(CH3)3	N(SiC[5]ClN)(CC[6a]Si)	C(C[6a]C[6a]2)(SiC3)(NSi)	Si(CC[6a]N)(CH3)3	N(SiC[5]ClN)(CC[6a]Si)	117.6330	0.000	1	117.6330	0.000	1	117.6330	0.000	1	117.6330	0.000	1	117.2108	12.566	15	117.2108	12.566	15
930	880	941	0:SP2_SP2_SP3	C	Si	N	4:2:1:	3:3:4:3:	3:3:	Si-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:C-3:	N-3:C-3:	C(SiC[6a]2C)(NN)(H)	Si(C[6a]C[6a]2)2(CC3)(CHN)	N(NC[6a]H)(CSiH)	C(SiC[6a]2C)(NN)(H)	Si(C[6a]C[6a]2)2(CC3)(CHN)	N(NC[6a]H)(CSiH)	116.0140	0.000	1	116.0140	0.000	1	116.0140	0.000	1	116.0140	0.000	1	117.2108	12.566	15	117.2108	12.566	15
930	880	941	0:SP2_SP2_SP3	C	Si	N	4:2:1:	4:4:4:3:	3:2:	Si-4:N-2:H-1:	C-4:C-4:C-4:C-3:	C-3:N-2:	C(SiC3)(NN)(H)	Si(CH3)3(CHN)	N(CSiH)(NFe)	C(SiC3)(NN)(H)	Si(CH3)3(CHN)	N(CSiH)(NFe)	121.7890	0.000	1	121.7890	0.000	1	121.1820	0.737	2	121.1820	0.737	2	117.2108	12.566	15	117.2108	12.566	15
930	880	941	0:SP2_SP2_SP3	C	Si	N	4:2:1:	4:4:4:3:	3:2:	Si-4:N-2:H-1:	C-4:C-4:C-4:C-3:	C-3:N-2:	C(SiC3)(NN)(H)	Si(CH3)3(CHN)	N(CSiH)(NW)	C(SiC3)(NN)(H)	Si(CH3)3(CHN)	N(CSiH)(NW)	120.5750	0.000	1	120.5750	0.000	1	121.1820	0.737	2	121.1820	0.737	2	117.2108	12.566	15	117.2108	12.566	15
930	880	941	0:SP2_SP2_SP3	C	Si	N	4:4:2:	3:4:4:4:	3:1:	Ge[6]-4:Si-4:N-2:	C-3:C-4:C-4:C-4:	C-3:N-1:	C(Ge[6]N[6]2Ag)(SiC3)(NN)	Si(CGe[6]N)(CH3)3	N(CGe[6]Si)(N)	C(Ge[6]N[6]2Ag)(SiC3)(NN)	Si(CGe[6]N)(CH3)3	N(CGe[6]Si)(N)	118.4790	0.000	1	118.4790	0.000	1	118.4790	0.000	1	115.8158	2.466	5	117.2108	12.566	15	117.2108	12.566	15
930	880	941	0:SP2_SP2_SP3	C	Si	N	4:4:2:	3:4:4:4:	3:1:	Si-4:Si-4:N-2:	C-3:C-4:C-4:C-4:	C-3:N-1:	C(SiC3)2(NN)	Si(CSiN)(CH3)3	N(CSi2)(N)	C(SiC3)2(NN)	Si(CSiN)(CH3)3	N(CSi2)(N)	115.1500	0.577	4	115.1500	0.333	4	115.1500	0.333	4	115.8158	2.466	5	117.2108	12.566	15	117.2108	12.566	15
930	880	941	0:SP2_SP2_SP3	C	Si	N	4:4:2:	4:4:4:3:	3:3:	Si-4:C-4:N-2:	C-4:C-4:C-4:C-3:	C-3:N-3:	C(SiC3)(CH3)(NN)	Si(CHHO)(CC3)(CH3)(CCN)	N(CSiC)(NHS)	C(SiC3)(CH3)(NN)	Si(CHHO)(CC3)(CH3)(CCN)	N(CSiC)(NHS)	113.0780	0.819	2	113.0780	0.670	2	113.0780	0.670	2	113.0780	0.670	2	117.2108	12.566	15	117.2108	12.566	15
930	880	944	0:SP2_SP-NON_SP3	C	Si	I	3:4:1:	3:4:4:4:	3:	C[6]-3:Si-4:I-1:	C-3:C-4:C-4:C-4:	C-3:	C(C[6]C[6,6a]O[6])(SiC3)(I)	Si(CC[6]I)(CH3)3	I(CC[6]Si)	C(C[6]C[6,6a]O[6])(SiC3)(I)	Si(CC[6]I)(CH3)3	I(CC[6]Si)	110.2500	0.000	1	110.2500	0.000	1	110.2500	0.000	1	110.2500	0.000	1	113.2348	4.439	6	113.2348	4.439	6
930	880	944	0:SP2_SP-NON_SP3	C	Si	I	3:4:1:	4:4:4:3:	3:	C-3:Si-4:I-1:	C-4:C-4:C-4:C-3:	C-3:	C(CC[6a]Cl)(SiC3)(I)	Si(CH3)3(CCI)	I(CSiC)	C(CC[6a]Cl)(SiC3)(I)	Si(CH3)3(CCI)	I(CSiC)	112.8730	1.918	2	112.8730	3.677	2	113.1883	2.137	3	113.1883	2.137	3	113.2348	4.439	6	113.2348	4.439	6
930	880	944	0:SP2_SP-NON_SP3	C	Si	I	3:4:1:	4:4:4:3:	3:	C-3:Si-4:I-1:	C-4:C-4:C-4:C-3:	C-3:	C(CC[6a]N[5a])(SiC3)(I)	Si(CH3)3(CCI)	I(CSiC)	C(CC[6a]N[5a])(SiC3)(I)	Si(CH3)3(CCI)	I(CSiC)	113.8190	0.000	1	113.8190	0.000	1	113.1883	2.137	3	113.1883	2.137	3	113.2348	4.439	6	113.2348	4.439	6
930	880	944	0:SP2_SP-NON_SP3	C	Si	I	4:3:1:	4:4:4:3:	3:	Si-4:C-3:I-1:	C-4:C-4:C-4:C-3:	C-3:	C(SiC3)(CCH)(I)	Si(CH3)3(CCI)	I(CSiC)	C(SiC3)(CCH)(I)	Si(CH3)3(CCI)	I(CSiC)	114.7970	2.031	2	114.7970	4.124	2	114.7970	4.124	2	114.7970	4.124	2	113.2348	4.439	6	113.2348	4.439	6
930	880	945	0:SP2_SP3_SP3	C	Si	P	3:2:4:	4:4:4:3:	3:3:3:	P-3:P-2:Si-4:	C-4:C-4:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C(PC[6a]2)(PC[6a])(SiC3)	Si(CH3)3(CPP)	P(C[6a]C[6a]2)2(CSiP)	C(PC[6a]2)(PC[6a])(SiC3)	Si(CH3)3(CPP)	P(C[6a]C[6a]2)2(CSiP)	109.0310	0.000	1	109.0310	0.000	1	109.0310	0.000	1	109.0310	0.000	1	109.0310	0.000	1	109.0310	0.000	1
930	880	951	0:SP2_SP-NON_SP3	C	Si	H	2:4:1:	4:4:4:3:	3:	N-2:Si-4:H-1:	C-4:C-4:C-4:C-3:	C-3:	C(NN[4])(SiC3)(H)	Si(CH3)3(CHN)	H(CSiN)	C(NN[4])(SiC3)(H)	Si(CH3)3(CHN)	H(CSiN)	118.2830	0.000	1	118.2830	0.000	1	118.2830	0.000	1	118.2830	0.000	1	115.3034	19.832	269	115.3034	19.832	269
930	880	951	0:SP2_SP-NON_SP3	C	Si	H	3:4:1:	3:1:1:1:	3:	C-3:Si-4:H-1:	C-3:Cl-1:Cl-1:Cl-1:	C-3:	C(CB[6a]H)(SiCl3)(H)	Si(CCH)(Cl)3	H(CSiC)	C(CB[6a]H)(SiCl3)(H)	Si(CCH)(Cl)3	H(CSiC)	116.8277	0.400	3	116.8277	0.160	3	116.8277	0.160	3	114.7030	11.091	5	115.3034	19.832	269	115.3034	19.832	269
930	880	951	0:SP2_SP-NON_SP3	C	Si	H	3:4:1:	3:1:1:1:	3:	C[5]-3:Si-4:H-1:	C-3:Br-1:Br-1:Br-1:	C-3:	C(C[5]N[5]2)(SiBr3)(H)	Si(CC[5]H)(Br)3	H(CC[5]Si)	C(C[5]N[5]2)(SiBr3)(H)	Si(CC[5]H)(Br)3	H(CC[5]Si)	109.2590	0.000	1	109.2590	0.000	1	109.2590	0.000	1	114.7030	11.091	5	115.3034	19.832	269	115.3034	19.832	269
930	880	951	0:SP2_SP-NON_SP3	C	Si	H	3:4:1:	3:1:1:1:	3:	C[5]-3:Si-4:H-1:	C-3:Cl-1:Cl-1:H-1:	C-3:	C(C[5]N[5]2)(SiCl2H)(H)	Si(CC[5]H)(Cl)2(H)	H(CC[5]Si)	C(C[5]N[5]2)(SiCl2H)(H)	Si(CC[5]H)(Cl)2(H)	H(CC[5]Si)	113.7730	0.000	1	113.7730	0.000	1	113.7730	0.000	1	114.7030	11.091	5	115.3034	19.832	269	115.3034	19.832	269
930	880	951	0:SP2_SP-NON_SP3	C	Si	H	3:4:1:	3:2:2:2:	3:	C-3:Si-4:H-1:	C-3:O-2:O-2:O-2:	C-3:	C(CC[6a]H)(SiO3)(H)	Si(CCH)(OSi)3	H(CSiC)	C(CC[6a]H)(SiO3)(H)	Si(CCH)(OSi)3	H(CSiC)	117.8219	0.804	7	117.8219	0.647	7	117.8219	0.647	7	117.8219	0.647	7	115.3034	19.832	269	115.3034	19.832	269
930	880	951	0:SP2_SP-NON_SP3	C	Si	H	3:4:1:	3:3:3:4:	3:	C[6]-3:Si-4:H-1:	C[6a]-3:C[6a]-3:C-3:C-4:	C-3:	C(C[6]C[6]O[6])(SiC[6a]2C)(H)	Si(C[6a]C[6a]2)2(CC[6]H)(CC3)	H(CC[6]Si)	C(C[6]C[6]O[6])(SiC[6a]2C)(H)	Si(C[6a]C[6a]2)2(CC[6]H)(CC3)	H(CC[6]Si)	119.3870	0.000	1	119.3870	0.000	1	119.3870	0.000	1	119.3870	0.000	1	115.3034	19.832	269	115.3034	19.832	269
930	880	951	0:SP2_SP-NON_SP3	C	Si	H	3:4:1:	3:4:4:4:	3:	C[5]-3:Si-4:H-1:	C-3:C-4:C-4:C-4:	C-3:	C(C[5]C[5,5]C[5])(SiC3)(H)	Si(CC[5]H)(CCHH)3	H(CC[5]Si)	C(C[5]C[5,5]C[5])(SiC3)(H)	Si(CC[5]H)(CCHH)3	H(CC[5]Si)	116.0530	0.000	1	116.0530	0.000	1	114.6967	2.326	13	114.4925	1.779	21	115.3034	19.832	269	115.3034	19.832	269
930	880	951	0:SP2_SP-NON_SP3	C	Si	H	3:4:1:	3:4:4:4:	3:	C[5]-3:Si-4:H-1:	C-3:C-4:C-4:C-4:	C-3:	C(C[5]C[5,6]C[5])(SiC3)(H)	Si(CC[5]H)(CH3)3	H(CC[5]Si)	C(C[5]C[5,6]C[5])(SiC3)(H)	Si(CC[5]H)(CH3)3	H(CC[5]Si)	115.8950	0.534	3	115.8950	0.285	3	114.6967	2.326	13	114.4925	1.779	21	115.3034	19.832	269	115.3034	19.832	269
930	880	951	0:SP2_SP-NON_SP3	C	Si	H	3:4:1:	3:4:4:4:	3:	C[5]-3:Si-4:H-1:	C-3:C-4:C-4:C-4:	C-3:	C(C[5]C[5,6a]C[5])(SiC3)(H)	Si(CC[5]H)(CH3)3	H(CC[5]Si)	C(C[5]C[5,6a]C[5])(SiC3)(H)	Si(CC[5]H)(CH3)3	H(CC[5]Si)	112.7965	0.209	2	112.7965	0.044	2	114.6967	2.326	13	114.4925	1.779	21	115.3034	19.832	269	115.3034	19.832	269
930	880	951	0:SP2_SP-NON_SP3	C	Si	H	3:4:1:	3:4:4:4:	3:	C[5]-3:Si-4:H-1:	C-3:C-4:C-4:C-4:	C-3:	C(C[5]C[5,6a]O[5])(SiC3)(H)	Si(CC[5]H)(CCCH)3	H(CC[5]Si)	C(C[5]C[5,6a]O[5])(SiC3)(H)	Si(CC[5]H)(CCCH)3	H(CC[5]Si)	114.9070	0.000	1	114.9070	0.000	1	114.6967	2.326	13	114.4925	1.779	21	115.3034	19.832	269	115.3034	19.832	269
930	880	951	0:SP2_SP-NON_SP3	C	Si	H	3:4:1:	3:4:4:4:	3:	C[5]-3:Si-4:H-1:	C-3:C-4:C-4:C-4:	C-3:	C(C[5]C[5]2)(SiC3)(H)	Si(CC[5]H)(CCCH)3	H(CC[5]Si)	C(C[5]C[5]2)(SiC3)(H)	Si(CC[5]H)(CCCH)3	H(CC[5]Si)	113.7390	0.000	1	113.7390	0.000	1	114.6967	2.326	13	114.4925	1.779	21	115.3034	19.832	269	115.3034	19.832	269
930	880	951	0:SP2_SP-NON_SP3	C	Si	H	3:4:1:	3:4:4:4:	3:	C[5]-3:Si-4:H-1:	C-3:C-4:C-4:C-4:	C-3:	C(C[5]C[5]2)(SiC3)(H)	Si(CC[5]H)(CH3)3	H(CC[5]Si)	C(C[5]C[5]2)(SiC3)(H)	Si(CC[5]H)(CH3)3	H(CC[5]Si)	113.5003	1.277	3	113.5003	1.631	3	114.6967	2.326	13	114.4925	1.779	21	115.3034	19.832	269	115.3034	19.832	269
930	880	951	0:SP2_SP-NON_SP3	C	Si	H	3:4:1:	3:4:4:4:	3:	C[5]-3:Si-4:H-1:	C-3:C-4:C-4:C-4:	C-3:	C(C[5]C[5]N[5])(SiC3)(H)	Si(CC[5]H)(CH3)3	H(CC[5]Si)	C(C[5]C[5]N[5])(SiC3)(H)	Si(CC[5]H)(CH3)3	H(CC[5]Si)	116.2895	0.582	2	116.2895	0.339	2	114.6967	2.326	13	114.4925	1.779	21	115.3034	19.832	269	115.3034	19.832	269
930	880	951	0:SP2_SP-NON_SP3	C	Si	H	3:4:1:	3:4:4:4:	3:	C[5a]-3:Si-4:H-1:	C-3:C-4:C-4:C-4:	C-3:	C(C[5a]C[5a,6a]O[5a])(SiC3)(H)	Si(CC[5a]H)(CH3)3	H(CC[5a]Si)	C(C[5a]C[5a,6a]O[5a])(SiC3)(H)	Si(CC[5a]H)(CH3)3	H(CC[5a]Si)	114.9580	0.000	1	114.9580	0.000	1	114.9580	0.000	1	114.4925	1.779	21	115.3034	19.832	269	115.3034	19.832	269
930	880	951	0:SP2_SP-NON_SP3	C	Si	H	3:4:1:	3:4:4:4:	3:	C[6]-3:Si-4:H-1:	C-3:C-4:C-4:C-4:	C-3:	C(C[6]C[6,6a]C[6])(SiC3)(H)	Si(CC[6]H)(CH3)3	H(CC[6]Si)	C(C[6]C[6,6a]C[6])(SiC3)(H)	Si(CC[6]H)(CH3)3	H(CC[6]Si)	112.3370	0.000	1	112.3370	0.000	1	114.1020	1.080	6	114.4925	1.779	21	115.3034	19.832	269	115.3034	19.832	269
930	880	951	0:SP2_SP-NON_SP3	C	Si	H	3:4:1:	3:4:4:4:	3:	C[6]-3:Si-4:H-1:	C-3:C-4:C-4:C-4:	C-3:	C(C[6]C[6]2)(SiC3)(H)	Si(CC[6]H)(CH3)3	H(CC[6]Si)	C(C[6]C[6]2)(SiC3)(H)	Si(CC[6]H)(CH3)3	H(CC[6]Si)	113.9190	0.000	1	113.9190	0.000	1	114.1020	1.080	6	114.4925	1.779	21	115.3034	19.832	269	115.3034	19.832	269
930	880	951	0:SP2_SP-NON_SP3	C	Si	H	3:4:1:	3:4:4:4:	3:	C[6]-3:Si-4:H-1:	C-3:C-4:C-4:C-4:	C-3:	C(C[6]C[6]N[6])(SiC3)(H)	Si(CC[6]H)(CH3)3	H(CC[6]Si)	C(C[6]C[6]N[6])(SiC3)(H)	Si(CC[6]H)(CH3)3	H(CC[6]Si)	114.5890	0.659	4	114.5890	0.434	4	114.1020	1.080	6	114.4925	1.779	21	115.3034	19.832	269	115.3034	19.832	269
930	880	951	0:SP2_SP-NON_SP3	C	Si	H	3:4:1:	3:4:4:4:	3:	C[6]-3:Si-4:H-1:	C-3:Si-4:Si-4:Si-4:	C-3:	C(C[6]C[6]2)(SiSi3)(H)	Si(CC[6]H)(SiC3)3	H(CC[6]Si)	C(C[6]C[6]2)(SiSi3)(H)	Si(CC[6]H)(SiC3)3	H(CC[6]Si)	113.7160	0.000	1	113.7160	0.000	1	113.7160	0.000	1	114.4925	1.779	21	115.3034	19.832	269	115.3034	19.832	269
930	880	951	0:SP2_SP-NON_SP3	C	Si	H	3:4:1:	4:4:3:2:	3:	C-3:Si-4:H-1:	C-4:C-4:C-3:O-2:	C-3:	C(CC[6a]H)(SiCCO)(H)	Si(CH3)2(CCH)(OPd)	H(CSiC)	C(CC[6a]H)(SiCCO)(H)	Si(CH3)2(CCH)(OPd)	H(CSiC)	117.4030	0.000	1	117.4030	0.000	1	117.4030	0.000	1	114.9025	12.505	2	115.3034	19.832	269	115.3034	19.832	269
930	880	951	0:SP2_SP-NON_SP3	C	Si	H	3:4:1:	4:4:3:2:	3:	C-3:Si-4:H-1:	Si-4:Si-4:C-3:C-2:	C-3:	C(CC[6a]C)(SiSi2C)(H)	Si(SiC3)2(CCH)(CC)	H(CSiC)	C(CC[6a]C)(SiSi2C)(H)	Si(SiC3)2(CCH)(CC)	H(CSiC)	112.4020	0.000	1	112.4020	0.000	1	112.4020	0.000	1	114.9025	12.505	2	115.3034	19.832	269	115.3034	19.832	269
930	880	951	0:SP2_SP-NON_SP3	C	Si	H	3:4:1:	4:4:3:3:	3:	C-3:Si-4:H-1:	C-4:C-4:C-3:N-3:	C-3:	C(CC[6a]N)(SiCCN)(H)	Si(CH3)2(CCH)(NCC)	H(CSiC)	C(CC[6a]N)(SiCCN)(H)	Si(CH3)2(CCH)(NCC)	H(CSiC)	114.1550	0.000	1	114.1550	0.000	1	114.1550	0.000	1	114.1550	0.000	1	115.3034	19.832	269	115.3034	19.832	269
930	880	951	0:SP2_SP-NON_SP3	C	Si	H	3:4:1:	4:4:4:3:	3:	C-3:Si-4:H-1:	C-4:C-4:C-4:C-3:	C-3:	C(CAlSi)(SiC3)(H)	Si(CH3)3(CCH)	H(CSiC)	C(CAlSi)(SiC3)(H)	Si(CH3)3(CCH)	H(CSiC)	111.7340	0.000	1	111.7340	0.000	1	114.6269	6.908	22	113.9502	8.674	26	115.3034	19.832	269	115.3034	19.832	269
930	880	951	0:SP2_SP-NON_SP3	C	Si	H	3:4:1:	4:4:4:3:	3:	C-3:Si-4:H-1:	C-4:C-4:C-4:C-3:	C-3:	C(CB[4x3,5,4x6]H)(SiC3)(H)	Si(CH3)3(CCH)	H(CSiC)	C(CB[4x3,5,4x6]H)(SiC3)(H)	Si(CH3)3(CCH)	H(CSiC)	116.1400	0.000	2	116.1400	0.000	2	114.6269	6.908	22	113.9502	8.674	26	115.3034	19.832	269	115.3034	19.832	269
930	880	951	0:SP2_SP-NON_SP3	C	Si	H	3:4:1:	4:4:4:3:	3:	C-3:Si-4:H-1:	C-4:C-4:C-4:C-3:	C-3:	C(CC[3,5]H)(SiC3)(H)	Si(CH3)3(CCH)	H(CSiC)	C(CC[3,5]H)(SiC3)(H)	Si(CH3)3(CCH)	H(CSiC)	114.3433	0.270	3	114.3433	0.073	3	114.6269	6.908	22	113.9502	8.674	26	115.3034	19.832	269	115.3034	19.832	269
930	880	951	0:SP2_SP-NON_SP3	C	Si	H	3:4:1:	4:4:4:3:	3:	C-3:Si-4:H-1:	C-4:C-4:C-4:C-3:	C-3:	C(CC[3]H)(SiC3)(H)	Si(CH3)3(CCH)	H(CSiC)	C(CC[3]H)(SiC3)(H)	Si(CH3)3(CCH)	H(CSiC)	115.6363	3.299	3	115.6363	10.884	3	114.6269	6.908	22	113.9502	8.674	26	115.3034	19.832	269	115.3034	19.832	269
930	880	951	0:SP2_SP-NON_SP3	C	Si	H	3:4:1:	4:4:4:3:	3:	C-3:Si-4:H-1:	C-4:C-4:C-4:C-3:	C-3:	C(CC[3x6]N)(SiC3)(H)	Si(CH3)3(CCH)	H(CSiC)	C(CC[3x6]N)(SiC3)(H)	Si(CH3)3(CCH)	H(CSiC)	108.1180	0.000	1	108.1180	0.000	1	114.6269	6.908	22	113.9502	8.674	26	115.3034	19.832	269	115.3034	19.832	269
930	880	951	0:SP2_SP-NON_SP3	C	Si	H	3:4:1:	4:4:4:3:	3:	C-3:Si-4:H-1:	C-4:C-4:C-4:C-3:	C-3:	C(CC[6,6]H)(SiC3)(H)	Si(CH3)3(CCH)	H(CSiC)	C(CC[6,6]H)(SiC3)(H)	Si(CH3)3(CCH)	H(CSiC)	119.4030	0.000	1	119.4030	0.000	1	114.6269	6.908	22	113.9502	8.674	26	115.3034	19.832	269	115.3034	19.832	269
930	880	951	0:SP2_SP-NON_SP3	C	Si	H	3:4:1:	4:4:4:3:	3:	C-3:Si-4:H-1:	C-4:C-4:C-4:C-3:	C-3:	C(CC[6]H)(SiC3)(H)	Si(CH3)3(CCH)	H(CSiC)	C(CC[6]H)(SiC3)(H)	Si(CH3)3(CCH)	H(CSiC)	116.4205	0.795	2	116.4205	0.633	2	114.6269	6.908	22	113.9502	8.674	26	115.3034	19.832	269	115.3034	19.832	269
930	880	951	0:SP2_SP-NON_SP3	C	Si	H	3:4:1:	4:4:4:3:	3:	C-3:Si-4:H-1:	C-4:C-4:C-4:C-3:	C-3:	C(CC[6a]2)(SiC3)(H)	Si(CH3)3(CCH)	H(CSiC)	C(CC[6a]2)(SiC3)(H)	Si(CH3)3(CCH)	H(CSiC)	110.3770	0.000	1	110.3770	0.000	1	114.6269	6.908	22	113.9502	8.674	26	115.3034	19.832	269	115.3034	19.832	269
930	880	951	0:SP2_SP-NON_SP3	C	Si	H	3:4:1:	4:4:4:3:	3:	C-3:Si-4:H-1:	C-4:C-4:C-4:C-3:	C-3:	C(CC[6a]C)(SiC3)(H)	Si(CCCH)(CC3)2(CCH)	H(CSiC)	C(CC[6a]C)(SiC3)(H)	Si(CCCH)(CC3)2(CCH)	H(CSiC)	116.0510	0.000	1	116.0510	0.000	1	114.6269	6.908	22	113.9502	8.674	26	115.3034	19.832	269	115.3034	19.832	269
930	880	951	0:SP2_SP-NON_SP3	C	Si	H	3:4:1:	4:4:4:3:	3:	C-3:Si-4:H-1:	C-4:C-4:C-4:C-3:	C-3:	C(CC[6a]C)(SiC3)(H)	Si(CH3)3(CCH)	H(CSiC)	C(CC[6a]C)(SiC3)(H)	Si(CH3)3(CCH)	H(CSiC)	114.2830	0.000	1	114.2830	0.000	1	114.6269	6.908	22	113.9502	8.674	26	115.3034	19.832	269	115.3034	19.832	269
930	880	951	0:SP2_SP-NON_SP3	C	Si	H	3:4:1:	4:4:4:3:	3:	C-3:Si-4:H-1:	C-4:C-4:C-4:C-3:	C-3:	C(CC[6a]C[6])(SiC3)(H)	Si(CH3)3(CCH)	H(CSiC)	C(CC[6a]C[6])(SiC3)(H)	Si(CH3)3(CCH)	H(CSiC)	114.6710	0.000	1	114.6710	0.000	1	114.6269	6.908	22	113.9502	8.674	26	115.3034	19.832	269	115.3034	19.832	269
930	880	951	0:SP2_SP-NON_SP3	C	Si	H	3:4:1:	4:4:4:3:	3:	C-3:Si-4:H-1:	C-4:C-4:C-4:C-3:	C-3:	C(CC[6a]H)(SiC3)(H)	Si(CH3)3(CCH)	H(CSiC)	C(CC[6a]H)(SiC3)(H)	Si(CH3)3(CCH)	H(CSiC)	116.3480	0.000	1	116.3480	0.000	1	114.6269	6.908	22	113.9502	8.674	26	115.3034	19.832	269	115.3034	19.832	269
930	880	951	0:SP2_SP-NON_SP3	C	Si	H	3:4:1:	4:4:4:3:	3:	C-3:Si-4:H-1:	C-4:C-4:C-4:C-3:	C-3:	C(CC[6a]Si)(SiC3)(H)	Si(CH3)3(CCH)	H(CSiC)	C(CC[6a]Si)(SiC3)(H)	Si(CH3)3(CCH)	H(CSiC)	114.8293	0.072	3	114.8293	0.005	3	114.6269	6.908	22	113.9502	8.674	26	115.3034	19.832	269	115.3034	19.832	269
930	880	951	0:SP2_SP-NON_SP3	C	Si	H	3:4:1:	4:4:4:3:	3:	C-3:Si-4:H-1:	C-4:C-4:C-4:C-3:	C-3:	C(CC[6a]Ti)(SiC3)(H)	Si(CH3)3(CCH)	H(CSiC)	C(CC[6a]Ti)(SiC3)(H)	Si(CH3)3(CCH)	H(CSiC)	111.2580	0.000	1	111.2580	0.000	1	114.6269	6.908	22	113.9502	8.674	26	115.3034	19.832	269	115.3034	19.832	269
930	880	951	0:SP2_SP-NON_SP3	C	Si	H	3:4:1:	4:4:4:3:	3:	C-3:Si-4:H-1:	Si-4:Si-4:Si-4:C-3:	C-3:	C(CC[6a]Ge)(SiSi3)(H)	Si(SiC3)3(CCH)	H(CSiC)	C(CC[6a]Ge)(SiSi3)(H)	Si(SiC3)3(CCH)	H(CSiC)	110.5960	1.530	3	110.5960	2.341	3	110.2283	2.102	4	113.9502	8.674	26	115.3034	19.832	269	115.3034	19.832	269
930	880	951	0:SP2_SP-NON_SP3	C	Si	H	3:4:1:	4:4:4:3:	3:	C-3:Si-4:H-1:	Si-4:Si-4:Si-4:C-3:	C-3:	C(CC[6a]Ge[4])(SiSi3)(H)	Si(SiC3)3(CCH)	H(CSiC)	C(CC[6a]Ge[4])(SiSi3)(H)	Si(SiC3)3(CCH)	H(CSiC)	109.1250	0.000	1	109.1250	0.000	1	110.2283	2.102	4	113.9502	8.674	26	115.3034	19.832	269	115.3034	19.832	269
930	880	951	0:SP2_SP-NON_SP3	C	Si	H	4:1:1:	2:4:4:3:	3:	Si-4:H-1:H-1:	S-2:C-4:C-4:C-3:	C-3:	C(SiCCS)(H)2	Si(SP[6])(CH3)2(CHH)	H(CSiH)	C(SiCCS)(H)2	Si(SP[6])(CH3)2(CHH)	H(CSiH)	111.1970	7.548	2	111.1970	56.967	2	111.1970	56.967	2	111.1970	56.967	2	115.3034	19.832	269	115.3034	19.832	269
930	880	951	0:SP2_SP-NON_SP3	C	Si	H	4:1:1:	3:3:3:3:	3:	Si-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C-3:	C(SiC[6a]3)(H)2	Si(C[6a]C[6a]2)3(CHH)	H(CSiH)	C(SiC[6a]3)(H)2	Si(C[6a]C[6a]2)3(CHH)	H(CSiH)	109.4820	2.121	2	109.4820	4.500	2	109.4820	4.500	2	109.4820	4.500	2	115.3034	19.832	269	115.3034	19.832	269
930	880	951	0:SP2_SP-NON_SP3	C	Si	H	4:1:1:	3:4:4:3:	3:	Si-4:H-1:H-1:	C-3:C-4:C-4:C-3:	C-3:	C(SiC3)(H)2	Si(CC[6a]C)(CH3)2(CHH)	H(CSiH)	C(SiC3)(H)2	Si(CC[6a]C)(CH3)2(CHH)	H(CSiH)	109.9445	2.419	2	109.9445	5.852	2	109.9445	5.852	2	108.8558	47.610	18	115.3034	19.832	269	115.3034	19.832	269
930	880	951	0:SP2_SP-NON_SP3	C	Si	H	4:1:1:	3:4:4:3:	3:	Si-4:H-1:H-1:	C[5]-3:C-4:C-4:C-3:	C-3:	C(SiC[5]CC)(H)2	Si(C[5]C[5,6]C[5])(CH3)2(CHH)	H(CSiH)	C(SiC[5]CC)(H)2	Si(C[5]C[5,6]C[5])(CH3)2(CHH)	H(CSiH)	108.0225	11.020	2	108.0225	121.446	2	108.0225	121.446	2	108.8558	47.610	18	115.3034	19.832	269	115.3034	19.832	269
930	880	951	0:SP2_SP-NON_SP3	C	Si	H	4:1:1:	3:4:4:3:	3:	Si-4:H-1:H-1:	C[6]-3:C-4:C-4:C-3:	C-3:	C(SiC[6]CC)(H)2	Si(C[6]C[6]N[6])(CCHH)(CH3)(CHH)	H(CSiH)	C(SiC[6]CC)(H)2	Si(C[6]C[6]N[6])(CCHH)(CH3)(CHH)	H(CSiH)	109.1460	4.404	2	109.1460	19.394	2	109.1460	19.394	2	108.8558	47.610	18	115.3034	19.832	269	115.3034	19.832	269
930	880	951	0:SP2_SP-NON_SP3	C	Si	H	4:1:1:	3:4:4:3:	3:	Si-4:H-1:H-1:	N-3:C-4:C-4:C-3:	C-3:	C(SiCCN)(H)2	Si(NC[6]Mo)(CC3)(CH3)(CHH)	H(CSiH)	C(SiCCN)(H)2	Si(NC[6]Mo)(CC3)(CH3)(CHH)	H(CSiH)	109.7120	3.947	4	109.7120	15.582	4	113.1327	37.432	6	108.8558	47.610	18	115.3034	19.832	269	115.3034	19.832	269
930	880	951	0:SP2_SP-NON_SP3	C	Si	H	4:1:1:	3:4:4:3:	3:	Si-4:H-1:H-1:	N-3:C-4:C-4:C-3:	C-3:	C(SiCCN)(H)2	Si(NSi[4]Si)(CH3)2(CHH)	H(CSiH)	C(SiCCN)(H)2	Si(NSi[4]Si)(CH3)2(CHH)	H(CSiH)	119.9740	0.045	2	119.9740	0.002	2	113.1327	37.432	6	108.8558	47.610	18	115.3034	19.832	269	115.3034	19.832	269
930	880	951	0:SP2_SP-NON_SP3	C	Si	H	4:1:1:	3:4:4:3:	3:	Si-4:H-1:H-1:	N[4,6]-3:C-4:C-4:C-3:	C-3:	C(SiN[4,6]CC)(H)2	Si(N[4,6]P[4,6,6]2)(CH3)2(CHH)	H(CSiH)	C(SiN[4,6]CC)(H)2	Si(N[4,6]P[4,6,6]2)(CH3)2(CHH)	H(CSiH)	106.3485	0.163	2	106.3485	0.027	2	106.3485	0.027	2	108.8558	47.610	18	115.3034	19.832	269	115.3034	19.832	269
930	880	951	0:SP2_SP-NON_SP3	C	Si	H	4:1:1:	3:4:4:3:	3:	Si-4:H-1:H-1:	Nb[10x3]-3:C-4:C-4:C-3:	C-3:	C(SiNb[10x3]CC)(H)2	Si(Nb[10x3]C[3,3,5]10SiH)(CH3)2(CHH)	H(CSiH)	C(SiNb[10x3]CC)(H)2	Si(Nb[10x3]C[3,3,5]10SiH)(CH3)2(CHH)	H(CSiH)	110.9925	1.348	2	110.9925	1.818	2	110.9925	1.818	2	108.8558	47.610	18	115.3034	19.832	269	115.3034	19.832	269
930	880	951	0:SP2_SP-NON_SP3	C	Si	H	4:1:1:	3:4:4:3:	3:	Si-4:H-1:H-1:	Si[4]-3:C-4:C-4:C-3:	C-3:	C(SiSi[4]CC)(H)2	Si(Si[4]Si[4]2)(CH3)2(CHH)	H(CSiH)	C(SiSi[4]CC)(H)2	Si(Si[4]Si[4]2)(CH3)2(CHH)	H(CSiH)	95.8503	0.065	2	95.8503	0.004	2	95.8503	0.004	2	108.8558	47.610	18	115.3034	19.832	269	115.3034	19.832	269
930	880	951	0:SP2_SP-NON_SP3	C	Si	H	4:1:1:	4:4:3:2:	3:	Si-4:H-1:H-1:	C-4:C-4:C-3:C-2:	C-3:	C(SiC3)(H)2	Si(CH3)2(CHH)(CC)	H(CSiH)	C(SiC3)(H)2	Si(CH3)2(CHH)(CC)	H(CSiH)	111.1665	6.600	4	111.1665	43.559	4	111.1665	43.559	4	111.1665	43.559	4	115.3034	19.832	269	115.3034	19.832	269
930	880	951	0:SP2_SP-NON_SP3	C	Si	H	4:1:1:	4:4:3:3:	3:	Si-4:H-1:H-1:	C-4:C-4:C-3:C-3:	C-3:	C(SiC3)(H)2	Si(CC[6a]Si2)(CH3)(CHH)2	H(CSiH)	C(SiC3)(H)2	Si(CC[6a]Si2)(CH3)(CHH)2	H(CSiH)	105.4203	4.001	4	105.4203	16.005	4	107.2193	17.718	6	109.0129	16.055	10	115.3034	19.832	269	115.3034	19.832	269
930	880	951	0:SP2_SP-NON_SP3	C	Si	H	4:1:1:	4:4:3:3:	3:	Si-4:H-1:H-1:	C-4:C-4:C-3:C-3:	C-3:	C(SiC3)(H)2	Si(CH3)2(CCH)(CHH)	H(CSiH)	C(SiC3)(H)2	Si(CH3)2(CCH)(CHH)	H(CSiH)	110.8175	1.317	2	110.8175	1.735	2	107.2193	17.718	6	109.0129	16.055	10	115.3034	19.832	269	115.3034	19.832	269
930	880	951	0:SP2_SP-NON_SP3	C	Si	H	4:1:1:	4:4:3:3:	3:	Si-4:H-1:H-1:	C[5]-4:C-4:C-3:C-3:	C-3:	C(SiC[5]CC)(H)2	Si(C[5]C[5,6]C[5]Zr)(CH3)(CHH)2	H(CSiH)	C(SiC[5]CC)(H)2	Si(C[5]C[5,6]C[5]Zr)(CH3)(CHH)2	H(CSiH)	111.7032	1.597	4	111.7032	2.549	4	111.7032	2.549	4	109.0129	16.055	10	115.3034	19.832	269	115.3034	19.832	269
930	880	951	0:SP2_SP-NON_SP3	C	Si	H	4:1:1:	4:4:4:3:	3:	Si-4:H-1:H-1:	C-4:C-4:C-4:C-3:	C-3:	C(SiC3)(H)2	Si(CC[6a]Si2)(CH3)2(CHH)	H(CSiH)	C(SiC3)(H)2	Si(CC[6a]Si2)(CH3)2(CHH)	H(CSiH)	117.6965	0.844	2	117.6965	0.712	2	114.8598	14.933	4	111.4640	17.974	22	115.3034	19.832	269	115.3034	19.832	269
930	880	951	0:SP2_SP-NON_SP3	C	Si	H	4:1:1:	4:4:4:3:	3:	Si-4:H-1:H-1:	C-4:C-4:C-4:C-3:	C-3:	C(SiC3)(H)2	Si(CMnHH)(CH3)2(CHH)	H(CSiH)	C(SiC3)(H)2	Si(CMnHH)(CH3)2(CHH)	H(CSiH)	112.0230	3.449	2	112.0230	11.897	2	114.8598	14.933	4	111.4640	17.974	22	115.3034	19.832	269	115.3034	19.832	269
930	880	951	0:SP2_SP-NON_SP3	C	Si	H	4:1:1:	4:4:4:3:	3:	Si-4:H-1:H-1:	C[5]-4:C-4:C-4:C-3:	C-3:	C(SiC[5]CC)(H)2	Si(C[5]C[5,6]C[5]Zr)(CH3)2(CHH)	H(CSiH)	C(SiC[5]CC)(H)2	Si(C[5]C[5,6]C[5]Zr)(CH3)2(CHH)	H(CSiH)	110.7371	5.038	10	110.7371	25.379	10	110.7371	25.379	10	111.4640	17.974	22	115.3034	19.832	269	115.3034	19.832	269
930	880	951	0:SP2_SP-NON_SP3	C	Si	H	4:1:1:	4:4:4:3:	3:	Si-4:H-1:H-1:	C[6]-4:C-4:C-4:C-3:	C-3:	C(SiC[6]CC)(H)2	Si(C[6]C[6]2Cr)(CH3)2(CHH)	H(CSiH)	C(SiC[6]CC)(H)2	Si(C[6]C[6]2Cr)(CH3)2(CHH)	H(CSiH)	111.4635	0.523	2	111.4635	0.273	2	111.4635	0.273	2	111.4640	17.974	22	115.3034	19.832	269	115.3034	19.832	269
930	880	951	0:SP2_SP-NON_SP3	C	Si	H	4:1:1:	4:4:4:3:	3:	Si-4:H-1:H-1:	N[6]-4:C-4:C-4:C-3:	C-3:	C(SiN[6]CC)(H)2	Si(N[6]C[6]2B)(CH3)2(CHH)	H(CSiH)	C(SiN[6]CC)(H)2	Si(N[6]C[6]2B)(CH3)2(CHH)	H(CSiH)	111.2305	3.467	2	111.2305	12.020	2	111.2305	12.020	2	111.4640	17.974	22	115.3034	19.832	269	115.3034	19.832	269
930	880	951	0:SP2_SP-NON_SP3	C	Si	H	4:1:1:	4:4:4:3:	3:	Si-4:H-1:H-1:	Si-4:C-4:C-4:C-3:	C-3:	C(SiSiCC)(H)2	Si(SiC[6a]C[6]2)(CC3)(CH3)(CHH)	H(CSiH)	C(SiSiCC)(H)2	Si(SiC[6a]C[6]2)(CC3)(CH3)(CHH)	H(CSiH)	110.0860	4.807	2	110.0860	23.106	2	110.0860	23.106	2	111.4640	17.974	22	115.3034	19.832	269	115.3034	19.832	269
930	880	951	0:SP2_SP-NON_SP3	C	Si	H	4:1:1:	4:4:4:3:	3:	Si-4:H-1:H-1:	Si[5]-4:C-4:C-4:C-3:	C-3:	C(SiSi[5]CC)(H)2	Si(Si[5]Si[5]2Si)(CH3)2(CHH)	H(CSiH)	C(SiSi[5]CC)(H)2	Si(Si[5]Si[5]2Si)(CH3)2(CHH)	H(CSiH)	109.9185	2.958	2	109.9185	8.749	2	109.9185	8.749	2	111.4640	17.974	22	115.3034	19.832	269	115.3034	19.832	269
930	880	951	0:SP2_SP-NON_SP3	C	Si	H	4:2:1:	3:3:4:3:	3:	Si-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:C-3:	C-3:	C(SiC[6a]2C)(NN)(H)	Si(C[6a]C[6a]2)2(CC3)(CHN)	H(CSiN)	C(SiC[6a]2C)(NN)(H)	Si(C[6a]C[6a]2)2(CC3)(CHN)	H(CSiN)	121.9420	0.000	1	121.9420	0.000	1	121.9420	0.000	1	121.9420	0.000	1	115.3034	19.832	269	115.3034	19.832	269
930	880	951	0:SP2_SP-NON_SP3	C	Si	H	4:2:1:	3:4:4:3:	3:	Si-4:P-2:H-1:	C[6a]-3:C-4:C-4:C-3:	C-3:	C(SiC[6a]CC)(PRu)(H)	Si(C[6a]C[6a]2)(CH3)2(CHP)	H(CSiP)	C(SiC[6a]CC)(PRu)(H)	Si(C[6a]C[6a]2)(CH3)2(CHP)	H(CSiP)	117.5530	0.000	1	117.5530	0.000	1	117.5530	0.000	1	117.5530	0.000	1	115.3034	19.832	269	115.3034	19.832	269
930	880	951	0:SP2_SP-NON_SP3	C	Si	H	4:2:1:	4:4:4:3:	3:	Si-4:C-2:H-1:	C-4:C-4:C-4:C-3:	C-3:	C(SiC3)(CC)(H)	Si(CC3)(CH3)2(CCH)	H(CSiC)	C(SiC3)(CC)(H)	Si(CC3)(CH3)2(CCH)	H(CSiC)	117.7350	0.000	1	117.7350	0.000	1	117.7350	0.000	1	123.2853	59.399	3	115.3034	19.832	269	115.3034	19.832	269
930	880	951	0:SP2_SP-NON_SP3	C	Si	H	4:2:1:	4:4:4:3:	3:	Si-4:N-2:H-1:	C-4:C-4:C-4:C-3:	C-3:	C(SiC3)(NN)(H)	Si(CH3)3(CHN)	H(CSiN)	C(SiC3)(NN)(H)	Si(CH3)3(CHN)	H(CSiN)	126.0605	8.520	2	126.0605	72.589	2	126.0605	72.589	2	123.2853	59.399	3	115.3034	19.832	269	115.3034	19.832	269
930	880	951	0:SP2_SP-NON_SP3	C	Si	H	4:3:1:	2:4:3:2:	3:	Si-4:C-3:H-1:	N-2:Si-4:C-3:O-2:	C-3:	C(SiSiNO)(CCH)(H)	Si(NC[5])(SiC3)(CCH)(OH)	H(CSiC)	C(SiSiNO)(CCH)(H)	Si(NC[5])(SiC3)(CCH)(OH)	H(CSiC)	117.0060	0.000	1	117.0060	0.000	1	117.0060	0.000	1	117.0060	0.000	1	115.3034	19.832	269	115.3034	19.832	269
930	880	951	0:SP2_SP-NON_SP3	C	Si	H	4:3:1:	3:1:1:1:	3:	Si-4:C-3:H-1:	C-3:Cl-1:Cl-1:Cl-1:	C-3:	C(SiCl3)(CSiH)(H)	Si(CCH)(Cl)3	H(CSiC)	C(SiCl3)(CSiH)(H)	Si(CCH)(Cl)3	H(CSiC)	118.4470	0.000	1	118.4470	0.000	1	118.4470	0.000	1	118.4470	0.000	1	115.3034	19.832	269	115.3034	19.832	269
930	880	951	0:SP2_SP-NON_SP3	C	Si	H	4:3:1:	3:2:2:2:	3:	Si-4:C-3:H-1:	C-3:O-2:O-2:O-2:	C-3:	C(SiO3)(CHH)(H)	Si(CCH)(OSi)3	H(CSiC)	C(SiO3)(CHH)(H)	Si(CCH)(OSi)3	H(CSiC)	118.2447	0.094	4	118.2447	0.009	4	118.2447	0.009	4	118.2447	0.009	4	115.3034	19.832	269	115.3034	19.832	269
930	880	951	0:SP2_SP-NON_SP3	C	Si	H	4:3:1:	3:2:3:1:	3:	Si-4:C-3:H-1:	C[5]-3:N-2:C-3:Cl-1:	C-3:	C(SiC[5]ClN)(CC[6a]Si)(H)	Si(C[5]N[5]2)(NC[6a])(CCH)(Cl)	H(CSiC)	C(SiC[5]ClN)(CC[6a]Si)(H)	Si(C[5]N[5]2)(NC[6a])(CCH)(Cl)	H(CSiC)	112.0715	0.293	2	112.0715	0.086	2	112.1857	0.082	3	112.1857	0.082	3	115.3034	19.832	269	115.3034	19.832	269
930	880	951	0:SP2_SP-NON_SP3	C	Si	H	4:3:1:	3:2:3:1:	3:	Si-4:C-3:H-1:	C[5]-3:N-2:C-3:Cl-1:	C-3:	C(SiC[5]ClN)(CSiC)(H)	Si(C[5]N[5]2)(NC[6a])(CCH)(Cl)	H(CSiC)	C(SiC[5]ClN)(CSiC)(H)	Si(C[5]N[5]2)(NC[6a])(CCH)(Cl)	H(CSiC)	112.4140	0.000	1	112.4140	0.000	1	112.1857	0.082	3	112.1857	0.082	3	115.3034	19.832	269	115.3034	19.832	269
930	880	951	0:SP2_SP-NON_SP3	C	Si	H	4:3:1:	3:3:2:2:	3:	Si-4:C-3:H-1:	C[6a]-3:C-3:C-2:C-2:	C-3:	C(SiC[6a]CC)(CC[6a]H)(H)	Si(C[6a]C[6a]2)(CCH)(CC)2	H(CSiC)	C(SiC[6a]CC)(CC[6a]H)(H)	Si(C[6a]C[6a]2)(CCH)(CC)2	H(CSiC)	113.4010	0.000	1	113.4010	0.000	1	113.4010	0.000	1	113.4010	0.000	1	115.3034	19.832	269	115.3034	19.832	269
930	880	951	0:SP2_SP-NON_SP3	C	Si	H	4:3:1:	3:3:3:1:	3:	Si-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:H-1:	C-3:	C(SiC[6a]2H)(CSiH)(H)	Si(C[6a]C[6a]2)2(CCH)(H)	H(CSiC)	C(SiC[6a]2H)(CSiH)(H)	Si(C[6a]C[6a]2)2(CCH)(H)	H(CSiC)	118.1460	0.000	1	118.1460	0.000	1	118.1460	0.000	1	118.1460	0.000	1	115.3034	19.832	269	115.3034	19.832	269
930	880	951	0:SP2_SP-NON_SP3	C	Si	H	4:3:1:	3:3:3:2:	3:	Si-4:C-3:H-1:	C-3:C-3:C-3:O-2:	C-3:	C(SiCCO)(CHH)(H)	Si(CCH)3(OSi)	H(CSiC)	C(SiCCO)(CHH)(H)	Si(CCH)3(OSi)	H(CSiC)	117.7165	0.753	12	117.7165	0.567	12	117.7165	0.567	12	117.7165	0.567	12	115.3034	19.832	269	115.3034	19.832	269
930	880	951	0:SP2_SP-NON_SP3	C	Si	H	4:3:1:	3:3:3:3:	3:	Si-4:C-3:H-1:	C-3:C-3:C-3:C-3:	C-3:	C(SiC3)(CHH)(H)	Si(CCH)4	H(CSiC)	C(SiC3)(CHH)(H)	Si(CCH)4	H(CSiC)	117.2482	2.040	4	117.2482	4.162	4	117.2482	4.162	4	118.2826	4.864	21	115.3034	19.832	269	115.3034	19.832	269
930	880	951	0:SP2_SP-NON_SP3	C	Si	H	4:3:1:	3:3:3:3:	3:	Si-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:C-3:	C-3:	C(SiC[6a]2C)(CC[6a]Pt)(H)	Si(C[6a]C[6a]2)2(CCH)2	H(CSiC)	C(SiC[6a]2C)(CC[6a]Pt)(H)	Si(C[6a]C[6a]2)2(CCH)2	H(CSiC)	120.2892	1.041	6	120.2892	1.084	6	118.8801	2.714	12	118.2826	4.864	21	115.3034	19.832	269	115.3034	19.832	269
930	880	951	0:SP2_SP-NON_SP3	C	Si	H	4:3:1:	3:3:3:3:	3:	Si-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:C-3:	C-3:	C(SiC[6a]2C)(CHH)(H)	Si(C[6a]C[6a]2)2(CCH)2	H(CSiC)	C(SiC[6a]2C)(CHH)(H)	Si(C[6a]C[6a]2)2(CCH)2	H(CSiC)	117.5565	0.392	4	117.5565	0.153	4	118.8801	2.714	12	118.2826	4.864	21	115.3034	19.832	269	115.3034	19.832	269
930	880	951	0:SP2_SP-NON_SP3	C	Si	H	4:3:1:	3:3:3:3:	3:	Si-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:C-3:	C-3:	C(SiC[6a]2C)(CSiH)(H)	Si(C[6a]C[6a]2)2(CCH)2	H(CSiC)	C(SiC[6a]2C)(CSiH)(H)	Si(C[6a]C[6a]2)2(CCH)2	H(CSiC)	117.3000	0.242	2	117.3000	0.058	2	118.8801	2.714	12	118.2826	4.864	21	115.3034	19.832	269	115.3034	19.832	269
930	880	951	0:SP2_SP-NON_SP3	C	Si	H	4:3:1:	3:3:3:3:	3:	Si-4:C-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C-3:	C(SiC[6a]3)(CCH)(H)	Si(C[6a]C[6a]2)3(CCH)	H(CSiC)	C(SiC[6a]3)(CCH)(H)	Si(C[6a]C[6a]2)3(CCH)	H(CSiC)	116.7330	0.000	1	116.7330	0.000	1	118.1213	13.523	4	118.2826	4.864	21	115.3034	19.832	269	115.3034	19.832	269
930	880	951	0:SP2_SP-NON_SP3	C	Si	H	4:3:1:	3:3:3:3:	3:	Si-4:C-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C-3:	C(SiC[6a]3)(CC[6a]H)(H)	Si(C[6a]C[6a]2)3(CCH)	H(CSiC)	C(SiC[6a]3)(CC[6a]H)(H)	Si(C[6a]C[6a]2)3(CCH)	H(CSiC)	116.5990	0.000	1	116.5990	0.000	1	118.1213	13.523	4	118.2826	4.864	21	115.3034	19.832	269	115.3034	19.832	269
930	880	951	0:SP2_SP-NON_SP3	C	Si	H	4:3:1:	3:3:3:3:	3:	Si-4:C-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C-3:	C(SiC[6a]3)(CSiH)(H)	Si(C[6a]C[6a]2)3(CCH)	H(CSiC)	C(SiC[6a]3)(CSiH)(H)	Si(C[6a]C[6a]2)3(CCH)	H(CSiC)	119.5765	5.665	2	119.5765	32.088	2	118.1213	13.523	4	118.2826	4.864	21	115.3034	19.832	269	115.3034	19.832	269
930	880	951	0:SP2_SP-NON_SP3	C	Si	H	4:3:1:	3:3:3:3:	3:	Si-4:C-3:H-1:	N-3:C[6a]-3:C-3:N-3:	C-3:	C(SiC[6a]NN)(CC[6a]P)(H)	Si(NC[5,6]C[6a])(C[6a]C[6a]2)(CCH)(NCC)	H(CSiC)	C(SiC[6a]NN)(CC[6a]P)(H)	Si(NC[5,6]C[6a])(C[6a]C[6a]2)(CCH)(NCC)	H(CSiC)	115.8950	0.000	1	115.8950	0.000	1	115.8950	0.000	1	118.2826	4.864	21	115.3034	19.832	269	115.3034	19.832	269
930	880	951	0:SP2_SP-NON_SP3	C	Si	H	4:3:1:	3:3:3:4:	3:	Si-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:C-4:	C-3:	C(SiC[6a]2C)(C[5]C[5]2)(H)	Si(C[6a]C[6a]2)2(CC[5]H)(CC3)	H(CC[5]Si)	C(SiC[6a]2C)(C[5]C[5]2)(H)	Si(C[6a]C[6a]2)2(CC[5]H)(CC3)	H(CC[5]Si)	115.9035	0.269	2	115.9035	0.073	2	115.9035	0.073	2	115.9035	0.073	2	115.3034	19.832	269	115.3034	19.832	269
930	880	951	0:SP2_SP-NON_SP3	C	Si	H	4:3:1:	3:3:4:3:	3:	Si-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:C-3:	C-3:	C(SiC[6a]2C)(CHH)(H)	Si(C[6a]C[6a]2)2(CH3)(CCH)	H(CSiC)	C(SiC[6a]2C)(CHH)(H)	Si(C[6a]C[6a]2)2(CH3)(CCH)	H(CSiC)	117.6970	0.000	1	117.6970	0.000	1	117.6970	0.000	1	117.6970	0.000	1	115.3034	19.832	269	115.3034	19.832	269
930	880	951	0:SP2_SP-NON_SP3	C	Si	H	4:3:1:	3:4:4:3:	3:	Si-4:C-3:H-1:	C[6a]-3:C-4:C-4:C-3:	C-3:	C(SiC[6a]CC)(CHH)(H)	Si(C[6a]C[6a]2)(CCHH)2(CCH)	H(CSiC)	C(SiC[6a]CC)(CHH)(H)	Si(C[6a]C[6a]2)(CCHH)2(CCH)	H(CSiC)	117.9430	0.587	2	117.9430	0.344	2	118.5242	4.233	4	118.5242	4.233	4	115.3034	19.832	269	115.3034	19.832	269
930	880	951	0:SP2_SP-NON_SP3	C	Si	H	4:3:1:	3:4:4:3:	3:	Si-4:C-3:H-1:	C[6a]-3:C-4:C-4:C-3:	C-3:	C(SiC[6a]CC)(CHH)(H)	Si(C[6a]C[6a]2)(CH3)2(CCH)	H(CSiC)	C(SiC[6a]CC)(CHH)(H)	Si(C[6a]C[6a]2)(CH3)2(CCH)	H(CSiC)	121.4510	0.000	1	121.4510	0.000	1	118.5242	4.233	4	118.5242	4.233	4	115.3034	19.832	269	115.3034	19.832	269
930	880	951	0:SP2_SP-NON_SP3	C	Si	H	4:3:1:	3:4:4:3:	3:	Si-4:C-3:H-1:	C[6a]-3:C-4:C-4:C-3:	C-3:	C(SiC[6a]CC)(CSiH)(H)	Si(C[6a]C[6a]2)(CH3)2(CCH)	H(CSiC)	C(SiC[6a]CC)(CSiH)(H)	Si(C[6a]C[6a]2)(CH3)2(CCH)	H(CSiC)	116.7600	0.000	1	116.7600	0.000	1	118.5242	4.233	4	118.5242	4.233	4	115.3034	19.832	269	115.3034	19.832	269
930	880	951	0:SP2_SP-NON_SP3	C	Si	H	4:3:1:	4:3:1:1:	3:	Si-4:C-3:H-1:	C-4:C-3:Cl-1:Cl-1:	C-3:	C(SiCl2C)(CHH)(H)	Si(CSiCH)(CCH)(Cl)2	H(CSiC)	C(SiCl2C)(CHH)(H)	Si(CSiCH)(CCH)(Cl)2	H(CSiC)	118.2210	0.000	1	118.2210	0.000	1	118.2210	0.000	1	118.2210	0.000	1	115.3034	19.832	269	115.3034	19.832	269
930	880	951	0:SP2_SP-NON_SP3	C	Si	H	4:3:1:	4:4:3:1:	3:	Si-4:C-3:H-1:	C-4:C-4:C-3:Cl-1:	C-3:	C(SiClCC)(CSiH)(H)	Si(CH3)2(CCH)(Cl)	H(CSiC)	C(SiClCC)(CSiH)(H)	Si(CH3)2(CCH)(Cl)	H(CSiC)	118.3120	0.000	1	118.3120	0.000	1	118.3120	0.000	1	118.3120	0.000	1	115.3034	19.832	269	115.3034	19.832	269
930	880	951	0:SP2_SP-NON_SP3	C	Si	H	4:3:1:	4:4:3:2:	3:	Si-4:C-3:H-1:	C-4:C-4:C-3:O-2:	C-3:	C(SiCCO)(CHH)(H)	Si(CH3)2(CCH)(OSi)	H(CSiC)	C(SiCCO)(CHH)(H)	Si(CH3)2(CCH)(OSi)	H(CSiC)	116.9870	0.517	3	116.9870	0.267	3	116.9870	0.267	3	116.1003	1.267	7	115.3034	19.832	269	115.3034	19.832	269
930	880	951	0:SP2_SP-NON_SP3	C	Si	H	4:3:1:	4:4:3:2:	3:	Si-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:O-2:	C-3:	C(SiC[5]2O)(CHH)(H)	Si(C[5]C[5]2Fe)2(CCH)(OC)	H(CSiC)	C(SiC[5]2O)(CHH)(H)	Si(C[5]C[5]2Fe)2(CCH)(OC)	H(CSiC)	114.0900	0.000	1	114.0900	0.000	1	115.0897	0.753	3	116.1003	1.267	7	115.3034	19.832	269	115.3034	19.832	269
930	880	951	0:SP2_SP-NON_SP3	C	Si	H	4:3:1:	4:4:3:2:	3:	Si-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:O-2:	C-3:	C(SiC[5]2O)(CHH)(H)	Si(C[5]C[5]2Fe)2(CCH)(OH)	H(CSiC)	C(SiC[5]2O)(CHH)(H)	Si(C[5]C[5]2Fe)2(CCH)(OH)	H(CSiC)	115.5320	0.000	1	115.5320	0.000	1	115.0897	0.753	3	116.1003	1.267	7	115.3034	19.832	269	115.3034	19.832	269
930	880	951	0:SP2_SP-NON_SP3	C	Si	H	4:3:1:	4:4:3:2:	3:	Si-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:O-2:	C-3:	C(SiC[5]2O)(CHH)(H)	Si(C[5]C[5]2Fe)2(CCH)(OSi)	H(CSiC)	C(SiC[5]2O)(CHH)(H)	Si(C[5]C[5]2Fe)2(CCH)(OSi)	H(CSiC)	115.6470	0.000	1	115.6470	0.000	1	115.0897	0.753	3	116.1003	1.267	7	115.3034	19.832	269	115.3034	19.832	269
930	880	951	0:SP2_SP-NON_SP3	C	Si	H	4:3:1:	4:4:3:2:	3:	Si-4:C-3:H-1:	Si-4:Si-4:C-3:N-2:	C-3:	C(SiSi2N)(CCH)(H)	Si(SiC3)2(CCH)(NC)	H(CSiC)	C(SiSi2N)(CCH)(H)	Si(SiC3)2(CCH)(NC)	H(CSiC)	116.4720	0.000	1	116.4720	0.000	1	116.4720	0.000	1	116.1003	1.267	7	115.3034	19.832	269	115.3034	19.832	269
930	880	951	0:SP2_SP-NON_SP3	C	Si	H	4:3:1:	4:4:3:3:	3:	Si-4:C-3:H-1:	C-4:C-4:C-3:C-3:	C-3:	C(SiC3)(CCC)(H)	Si(CH3)2(CCH)(CHH)	H(CSiC)	C(SiC3)(CCC)(H)	Si(CH3)2(CCH)(CHH)	H(CSiC)	121.1220	0.000	1	121.1220	0.000	1	121.1220	0.000	1	118.6110	4.752	3	115.3034	19.832	269	115.3034	19.832	269
930	880	951	0:SP2_SP-NON_SP3	C	Si	H	4:3:1:	4:4:3:3:	3:	Si-4:C-3:H-1:	C-4:C-4:C-3:N-3:	C-3:	C(SiCCN)(CCH)(H)	Si(CH3)2(CCH)(NCC)	H(CSiC)	C(SiCCN)(CCH)(H)	Si(CH3)2(CCH)(NCC)	H(CSiC)	117.3555	0.214	2	117.3555	0.046	2	117.3555	0.046	2	118.6110	4.752	3	115.3034	19.832	269	115.3034	19.832	269
930	880	951	0:SP2_SP-NON_SP3	C	Si	H	4:3:1:	4:4:4:3:	3:	Si-4:C-3:H-1:	C-4:C-4:C-4:C-3:	C-3:	C(SiC3)(CAlH)(H)	Si(CH3)3(CCH)	H(CSiC)	C(SiC3)(CAlH)(H)	Si(CH3)3(CCH)	H(CSiC)	115.9990	0.000	1	115.9990	0.000	1	116.8459	5.204	48	116.9134	5.373	54	115.3034	19.832	269	115.3034	19.832	269
930	880	951	0:SP2_SP-NON_SP3	C	Si	H	4:3:1:	4:4:4:3:	3:	Si-4:C-3:H-1:	C-4:C-4:C-4:C-3:	C-3:	C(SiC3)(CCH)(H)	Si(CH3)3(CCH)	H(CSiC)	C(SiC3)(CCH)(H)	Si(CH3)3(CCH)	H(CSiC)	116.9401	2.373	39	116.9401	5.633	39	116.8459	5.204	48	116.9134	5.373	54	115.3034	19.832	269	115.3034	19.832	269
930	880	951	0:SP2_SP-NON_SP3	C	Si	H	4:3:1:	4:4:4:3:	3:	Si-4:C-3:H-1:	C-4:C-4:C-4:C-3:	C-3:	C(SiC3)(CHH)(H)	Si(CPtHH)(CH3)2(CCH)	H(CSiC)	C(SiC3)(CHH)(H)	Si(CPtHH)(CH3)2(CCH)	H(CSiC)	116.6500	0.000	1	116.6500	0.000	1	116.8459	5.204	48	116.9134	5.373	54	115.3034	19.832	269	115.3034	19.832	269
930	880	951	0:SP2_SP-NON_SP3	C	Si	H	4:3:1:	4:4:4:3:	3:	Si-4:C-3:H-1:	C-4:C-4:C-4:C-3:	C-3:	C(SiC3)(CHN)(H)	Si(CH3)3(CCH)	H(CSiC)	C(SiC3)(CHN)(H)	Si(CH3)3(CCH)	H(CSiC)	116.6725	0.585	2	116.6725	0.342	2	116.8459	5.204	48	116.9134	5.373	54	115.3034	19.832	269	115.3034	19.832	269
930	880	951	0:SP2_SP-NON_SP3	C	Si	H	4:3:1:	4:4:4:3:	3:	Si-4:C-3:H-1:	C-4:C-4:C-4:C-3:	C-3:	C(SiC3)(CMoO)(H)	Si(CH3)3(CCH)	H(CSiC)	C(SiC3)(CMoO)(H)	Si(CH3)3(CCH)	H(CSiC)	118.7850	0.000	1	118.7850	0.000	1	116.8459	5.204	48	116.9134	5.373	54	115.3034	19.832	269	115.3034	19.832	269
930	880	951	0:SP2_SP-NON_SP3	C	Si	H	4:3:1:	4:4:4:3:	3:	Si-4:C-3:H-1:	C-4:C-4:C-4:C-3:	C-3:	C(SiC3)(CRuC)(H)	Si(CH3)3(CCH)	H(CSiC)	C(SiC3)(CRuC)(H)	Si(CH3)3(CCH)	H(CSiC)	116.5100	0.000	1	116.5100	0.000	1	116.8459	5.204	48	116.9134	5.373	54	115.3034	19.832	269	115.3034	19.832	269
930	880	951	0:SP2_SP-NON_SP3	C	Si	H	4:3:1:	4:4:4:3:	3:	Si-4:C-3:H-1:	C-4:C-4:C-4:C-3:	C-3:	C(SiC3)(CSiH)(H)	Si(CH3)3(CCH)	H(CSiC)	C(SiC3)(CSiH)(H)	Si(CH3)3(CCH)	H(CSiC)	116.2270	0.000	1	116.2270	0.000	1	116.8459	5.204	48	116.9134	5.373	54	115.3034	19.832	269	115.3034	19.832	269
930	880	951	0:SP2_SP-NON_SP3	C	Si	H	4:3:1:	4:4:4:3:	3:	Si-4:C-3:H-1:	C-4:C-4:C-4:C-3:	C-3:	C(SiC3)(CTiC)(H)	Si(CH3)3(CCH)	H(CSiC)	C(SiC3)(CTiC)(H)	Si(CH3)3(CCH)	H(CSiC)	115.2130	4.411	2	115.2130	19.456	2	116.8459	5.204	48	116.9134	5.373	54	115.3034	19.832	269	115.3034	19.832	269
930	880	951	0:SP2_SP-NON_SP3	C	Si	H	4:3:1:	4:4:4:3:	3:	Si-4:C-3:H-1:	C[5]-4:C-4:C-4:C-3:	C-3:	C(SiC[5]CC)(CHH)(H)	Si(C[5]C[5,6]C[5]H)(CH3)2(CCH)	H(CSiC)	C(SiC[5]CC)(CHH)(H)	Si(C[5]C[5,6]C[5]H)(CH3)2(CCH)	H(CSiC)	117.6150	0.000	1	117.6150	0.000	1	115.1750	11.907	2	116.9134	5.373	54	115.3034	19.832	269	115.3034	19.832	269
930	880	951	0:SP2_SP-NON_SP3	C	Si	H	4:3:1:	4:4:4:3:	3:	Si-4:C-3:H-1:	C[5]-4:C-4:C-4:C-3:	C-3:	C(SiC[5]CC)(CSiC)(H)	Si(C[5]C[5]2Cr)(CH3)2(CCH)	H(CSiC)	C(SiC[5]CC)(CSiC)(H)	Si(C[5]C[5]2Cr)(CH3)2(CCH)	H(CSiC)	112.7350	0.000	1	112.7350	0.000	1	115.1750	11.907	2	116.9134	5.373	54	115.3034	19.832	269	115.3034	19.832	269
930	880	951	0:SP2_SP-NON_SP3	C	Si	H	4:3:1:	4:4:4:3:	3:	Si-4:C-3:H-1:	C[5]-4:C[5]-4:C[5]-4:C-3:	C-3:	C(SiC[5]3)(CHH)(H)	Si(C[5]C[5]2Fe)3(CCH)	H(CSiC)	C(SiC[5]3)(CHH)(H)	Si(C[5]C[5]2Fe)3(CCH)	H(CSiC)	117.0470	0.000	1	117.0470	0.000	1	117.0470	0.000	1	116.9134	5.373	54	115.3034	19.832	269	115.3034	19.832	269
930	880	951	0:SP2_SP-NON_SP3	C	Si	H	4:3:1:	4:4:4:3:	3:	Si-4:C-3:H-1:	C[5]-4:C[6]-4:C-4:C-3:	C-3:	C(SiC[5]C[6]C)(CHH)(H)	Si(C[5]C[5]2Fe)(C[6]C[6]2Cr)(CH3)(CCH)	H(CSiC)	C(SiC[5]C[6]C)(CHH)(H)	Si(C[5]C[5]2Fe)(C[6]C[6]2Cr)(CH3)(CCH)	H(CSiC)	117.6830	0.000	1	117.6830	0.000	1	117.6830	0.000	1	116.9134	5.373	54	115.3034	19.832	269	115.3034	19.832	269
930	880	951	0:SP2_SP-NON_SP3	C	Si	H	4:3:1:	4:4:4:3:	3:	Si-4:N-3:H-1:	C-4:C-4:C-4:C-3:	C-3:	C(SiC3)(NLaN)(H)	Si(CH3)3(CHN)	H(CSiN)	C(SiC3)(NLaN)(H)	Si(CH3)3(CHN)	H(CSiN)	121.3160	0.000	1	121.3160	0.000	1	119.8185	4.485	2	116.9134	5.373	54	115.3034	19.832	269	115.3034	19.832	269
930	880	951	0:SP2_SP-NON_SP3	C	Si	H	4:3:1:	4:4:4:3:	3:	Si-4:N-3:H-1:	C-4:C-4:C-4:C-3:	C-3:	C(SiC3)(NNY)(H)	Si(CH3)3(CHN)	H(CSiN)	C(SiC3)(NNY)(H)	Si(CH3)3(CHN)	H(CSiN)	118.3210	0.000	1	118.3210	0.000	1	119.8185	4.485	2	116.9134	5.373	54	115.3034	19.832	269	115.3034	19.832	269
930	880	951	0:SP2_SP-NON_SP3	C	Si	H	4:3:1:	5:3:3:3:	3:	Si-4:C-3:H-1:	C[3x3,4,3x5,14x6]-5:C-3:C-3:C-3:	C-3:	C(SiC[3x3,4,3x5,14x6]CC)(CHH)(H)	Si(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CCH)3	H(CSiC)	C(SiC[3x3,4,3x5,14x6]CC)(CHH)(H)	Si(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CCH)3	H(CSiC)	118.4903	0.373	12	118.4903	0.139	12	118.4903	0.139	12	118.3665	0.326	13	115.3034	19.832	269	115.3034	19.832	269
930	880	951	0:SP2_SP-NON_SP3	C	Si	H	4:3:1:	5:3:3:3:	3:	Si-4:C-3:H-1:	Ge[3,3,4,4,4x6]-5:C[6a]-3:C[6a]-3:C-3:	C-3:	C(SiGe[3,3,4,4,4x6]C[6a]2)(CHH)(H)	Si(Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6]4)(C[6a]C[6a]2)2(CCH)	H(CSiC)	C(SiGe[3,3,4,4,4x6]C[6a]2)(CHH)(H)	Si(Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6]4)(C[6a]C[6a]2)2(CCH)	H(CSiC)	116.8820	0.000	1	116.8820	0.000	1	116.8820	0.000	1	118.3665	0.326	13	115.3034	19.832	269	115.3034	19.832	269
930	880	951	0:SP2_SP-NON_SP3	C	Si	H	4:3:1:	5:4:4:3:	3:	Si-4:C-3:H-1:	C[3x3,4,3x5,14x6]-5:C-4:C-4:C-3:	C-3:	C(SiC[3x3,4,3x5,14x6]CC)(CC[6a]Si)(H)	Si(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CCHH)2(CCH)	H(CSiC)	C(SiC[3x3,4,3x5,14x6]CC)(CC[6a]Si)(H)	Si(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CCHH)2(CCH)	H(CSiC)	114.7910	0.000	1	114.7910	0.000	1	116.0163	4.006	3	116.0163	4.006	3	115.3034	19.832	269	115.3034	19.832	269
930	880	951	0:SP2_SP-NON_SP3	C	Si	H	4:3:1:	5:4:4:3:	3:	Si-4:C-3:H-1:	C[3x3,4,3x5,14x6]-5:C-4:C-4:C-3:	C-3:	C(SiC[3x3,4,3x5,14x6]CC)(CHH)(H)	Si(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CH3)2(CCH)	H(CSiC)	C(SiC[3x3,4,3x5,14x6]CC)(CHH)(H)	Si(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CH3)2(CCH)	H(CSiC)	118.3260	0.000	1	118.3260	0.000	1	116.0163	4.006	3	116.0163	4.006	3	115.3034	19.832	269	115.3034	19.832	269
930	880	951	0:SP2_SP-NON_SP3	C	Si	H	4:3:1:	5:4:4:3:	3:	Si-4:C-3:H-1:	C[3x3,4,3x5,14x6]-5:C-4:C-4:C-3:	C-3:	C(SiC[3x3,4,3x5,14x6]CC)(CSiH)(H)	Si(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CH3)2(CCH)	H(CSiC)	C(SiC[3x3,4,3x5,14x6]CC)(CSiH)(H)	Si(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CH3)2(CCH)	H(CSiC)	114.9320	0.000	1	114.9320	0.000	1	116.0163	4.006	3	116.0163	4.006	3	115.3034	19.832	269	115.3034	19.832	269
930	880	951	0:SP2_SP-NON_SP3	C	Si	H	4:3:1:	6:3:3:3:	3:	Si-4:C-3:H-1:	C[5x3,5x5,20x6]-6:C-3:C-3:C-3:	C-3:	C(SiC[5x3,5x5,20x6]CC)(CHH)(H)	Si(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CCH)3	H(CSiC)	C(SiC[5x3,5x5,20x6]CC)(CHH)(H)	Si(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CCH)3	H(CSiC)	118.4843	0.340	6	118.4843	0.116	6	118.4843	0.116	6	118.4843	0.116	6	115.3034	19.832	269	115.3034	19.832	269
930	880	951	0:SP2_SP-NON_SP3	C	Si	H	4:4:1:	4:4:3:1:	3:	Si-4:C-4:H-1:	C[6]-4:C-4:C-3:H-1:	C-3:	C(SiC[6]CH)(CH3)(H)	Si(C[6]C[6]2H)(CCHH)(CCH)(H)	H(CSiC)	C(SiC[6]CH)(CH3)(H)	Si(C[6]C[6]2H)(CCHH)(CCH)(H)	H(CSiC)	120.0930	0.000	1	120.0930	0.000	1	120.0930	0.000	1	120.0930	0.000	1	115.3034	19.832	269	115.3034	19.832	269
930	880	951	0:SP2_SP-NON_SP3	C	Si	H	4:4:1:	4:4:3:2:	3:	Si-4:C-4:H-1:	C-4:C-4:C-3:C-2:	C-3:	C(SiC3)(CH3)(H)	Si(CCCH)2(CCH)(CC)	H(CSiC)	C(SiC3)(CH3)(H)	Si(CCCH)2(CCH)(CC)	H(CSiC)	113.5230	0.000	1	113.5230	0.000	1	113.5230	0.000	1	113.5230	0.000	1	115.3034	19.832	269	115.3034	19.832	269
930	880	951	0:SP2_SP-NON_SP3	C	Si	H	4:4:1:	4:4:4:3:	3:	Si-4:C-4:H-1:	C-4:C-4:C-4:C-3:	C-3:	C(SiC3)(CH3)(H)	Si(CCCO)(CCHH)2(CCH)	H(CSiC)	C(SiC3)(CH3)(H)	Si(CCCO)(CCHH)2(CCH)	H(CSiC)	126.1530	0.000	1	126.1530	0.000	1	126.1530	0.000	1	126.1530	0.000	1	115.3034	19.832	269	115.3034	19.832	269
930	880	952	0:SP2_SP3_SP3	C	Si	S	4:4:3:	4:4:4:3:	3:3:2:1:	S-4:Si-4:C-3:	C-4:C-4:C-4:C-3:	C[6a]-3:C-3:N-2:O-1:	C(SC[6a]NO)(SiC3)(CCH)	Si(CH3)3(CCS)	S(C[6a]C[6a]2)(CSiC)(NS)(O)	C(SC[6a]NO)(SiC3)(CCH)	Si(CH3)3(CCS)	S(C[6a]C[6a]2)(CSiC)(NS)(O)	117.5400	0.153	2	117.5400	0.023	2	117.5400	0.023	2	117.5400	0.023	2	117.5400	0.023	2	117.5400	0.023	2
930	880	956	0:SP2_SP2_SP3	C	Si	N	4:3:1:	3:4:4:4:	4:4:3:	Si-4:N-3:Se-1:	C-3:C-4:C-4:C-4:	C-4:C-4:C-3:	C(SiC3)(NCC)(Se)	Si(CSeN)(CH3)3	N(CC[6a]HH)2(CSeSi)	C(SiC3)(NCC)(Se)	Si(CSeN)(CH3)3	N(CC[6a]HH)2(CSeSi)	123.2930	0.000	1	123.2930	0.000	1	123.2930	0.000	1	123.2930	0.000	1	123.2930	0.000	1	123.2930	0.000	1
930	880	969	0:SP2_SP-NON_SP3	C	Si	Ga	3:4:3:	3:4:4:4:	3:1:1:	C-3:Si-4:Ga-3:	C-3:C-4:C-4:C-4:	C-3:I-1:I-1:	C(CC[5,5]C)(SiC3)(GaII)	Si(CGaC)(CH3)3	Ga(CSiC)(I)2	C(CC[5,5]C)(SiC3)(GaII)	Si(CGaC)(CH3)3	Ga(CSiC)(I)2	117.7800	0.000	2	117.7800	0.000	2	117.7800	0.000	2	117.7800	0.000	2	120.1140	7.539	6	120.1140	7.539	6
930	880	969	0:SP2_SP-NON_SP3	C	Si	Ga	3:4:3:	3:4:4:4:	3:4:4:	C-3:Si-4:Ga-3:	C-3:C-4:C-4:C-4:	C-3:C-4:C-4:	C(CC[6a]H)(SiC3)(GaCC)	Si(CGaC)(CH3)3	Ga(CSiC)(CC3)2	C(CC[6a]H)(SiC3)(GaCC)	Si(CGaC)(CH3)3	Ga(CSiC)(CC3)2	117.3420	0.000	1	117.3420	0.000	1	117.3420	0.000	1	117.3420	0.000	1	120.1140	7.539	6	120.1140	7.539	6
930	880	969	0:SP2_SP-NON_SP3	C	Si	Ga	3:4:3:	3:4:4:4:	4:3:4:	C-3:Si-4:Ga-3:	C-3:C-4:C-4:C-4:	C-4:C-3:C-4:	C(CC[6a]H)(SiC3)(GaCC)	Si(CGaC)(CH3)3	Ga(CSi3)(CSiC)(CH3)	C(CC[6a]H)(SiC3)(GaCC)	Si(CGaC)(CH3)3	Ga(CSi3)(CSiC)(CH3)	122.8240	0.590	2	122.8240	0.348	2	122.8240	0.348	2	122.8240	0.348	2	120.1140	7.539	6	120.1140	7.539	6
930	880	969	0:SP2_SP-NON_SP3	C	Si	Ga	3:4:3:	3:4:4:4:	4:4:3:	C-3:Si-4:Ga-3:	C-3:C-4:C-4:C-4:	C-4:C-4:C-3:	C(CC[6a]H)(SiC3)(GaCC)	Si(CGaC)(CH3)3	Ga(CCCH)2(CSiC)	C(CC[6a]H)(SiC3)(GaCC)	Si(CGaC)(CH3)3	Ga(CCCH)2(CSiC)	122.1340	0.000	1	122.1340	0.000	1	122.1340	0.000	1	122.1340	0.000	1	120.1140	7.539	6	120.1140	7.539	6
930	880	983	0:SP2_SP1_SP3	C	Si	C	2:4:3:	4:4:4:3:	3:3:	C-2:Si-4:C-3:	C-4:C-4:C-4:C-3:	C[5]-3:C-3:	C(CC[5])(SiC3)(CSiC)	Si(CH3)3(CCC)	C(C[5]C[5,6a]2)(CSiC)	C(CC[5])(SiC3)(CSiC)	Si(CH3)3(CCC)	C(C[5]C[5,6a]2)(CSiC)	119.3843	1.213	3	119.3843	1.472	3	119.3843	1.472	3	119.3247	0.996	4	116.9994	16.662	60	116.9994	16.662	60
930	880	983	0:SP2_SP1_SP3	C	Si	C	2:4:3:	4:4:4:3:	3:3:	C-2:Si-4:C-3:	C-4:C-4:C-4:C-3:	C[5a]-3:C-3:	C(CC[5a])(SiC3)(CSiC)	Si(CH3)3(CCC)	C(C[5a]C[5a,6a]2)(CSiC)	C(CC[5a])(SiC3)(CSiC)	Si(CH3)3(CCC)	C(C[5a]C[5a,6a]2)(CSiC)	119.1460	0.000	1	119.1460	0.000	1	119.1460	0.000	1	119.3247	0.996	4	116.9994	16.662	60	116.9994	16.662	60
930	880	983	0:SP2_SP1_SP3	C	Si	C	3:4:2:	3:4:4:4:	3:1:	C[5]-3:Si-4:C-2:	C-3:C-4:C-4:C-4:	C-3:N-1:	C(C[5]C[5,5]C[5])(SiC3)(CN)	Si(CC[5]C)(CCCH)3	C(CC[5]Si)(N)	C(C[5]C[5,5]C[5])(SiC3)(CN)	Si(CC[5]C)(CCCH)3	C(CC[5]Si)(N)	111.0160	1.950	2	111.0160	3.803	2	111.5997	4.635	7	112.0524	3.657	10	116.9994	16.662	60	116.9994	16.662	60
930	880	983	0:SP2_SP1_SP3	C	Si	C	3:4:2:	3:4:4:4:	3:1:	C[5]-3:Si-4:C-2:	C-3:C-4:C-4:C-4:	C-3:N-1:	C(C[5]C[5]2)(SiC3)(CN)	Si(CC[5]C)(CCCH)3	C(CC[5]Si)(N)	C(C[5]C[5]2)(SiC3)(CN)	Si(CC[5]C)(CCCH)3	C(CC[5]Si)(N)	111.8332	2.401	5	111.8332	5.763	5	111.5997	4.635	7	112.0524	3.657	10	116.9994	16.662	60	116.9994	16.662	60
930	880	983	0:SP2_SP1_SP3	C	Si	C	3:4:2:	3:4:4:4:	3:1:	C[6]-3:Si-4:C-2:	C-3:C-4:C-4:C-4:	C-3:N-1:	C(C[6]C[6]2)(SiC3)(CN)	Si(CC[6]C)(CCCH)3	C(CC[6]Si)(N)	C(C[6]C[6]2)(SiC3)(CN)	Si(CC[6]C)(CCCH)3	C(CC[6]Si)(N)	112.7100	0.000	1	112.7100	0.000	1	113.1105	0.321	2	112.0524	3.657	10	116.9994	16.662	60	116.9994	16.662	60
930	880	983	0:SP2_SP1_SP3	C	Si	C	3:4:2:	3:4:4:4:	3:1:	C[6]-3:Si-4:C-2:	C-3:C-4:C-4:C-4:	C-3:N-1:	C(C[6]Se[6]S[6])(SiC3)(CN)	Si(CC[6]C)(CC3)(CH3)2	C(CC[6]Si)(N)	C(C[6]Se[6]S[6])(SiC3)(CN)	Si(CC[6]C)(CC3)(CH3)2	C(CC[6]Si)(N)	113.5110	0.000	1	113.5110	0.000	1	113.1105	0.321	2	112.0524	3.657	10	116.9994	16.662	60	116.9994	16.662	60
930	880	983	0:SP2_SP1_SP3	C	Si	C	3:4:2:	3:4:4:4:	3:1:	C[6a]-3:Si-4:C-2:	C-3:C-4:C-4:C-4:	C-3:O-1:	C(C[6a]C[5a,6a]C[6a])(SiC3)(CO)	Si(CC[6a]C)(CH3)3	C(CC[6a]Si)(O)	C(C[6a]C[5a,6a]C[6a])(SiC3)(CO)	Si(CC[6a]C)(CH3)3	C(CC[6a]Si)(O)	113.1050	0.000	1	113.1050	0.000	1	113.1050	0.000	1	112.0524	3.657	10	116.9994	16.662	60	116.9994	16.662	60
930	880	983	0:SP2_SP1_SP3	C	Si	C	3:4:2:	3:4:4:4:	3:3:	C[5a]-3:Si-4:C-2:	C-3:C-4:C-4:C-4:	C-3:C-3:	C(C[5a]C[5a]O[5a])(SiC3)(CC)	Si(CC[5a]C)(CH3)3	C(CC[5a]Si)(CCH)	C(C[5a]C[5a]O[5a])(SiC3)(CC)	Si(CC[5a]C)(CH3)3	C(CC[5a]Si)(CCH)	119.6500	0.000	1	119.6500	0.000	1	119.6500	0.000	1	119.5260	1.792	9	116.9994	16.662	60	116.9994	16.662	60
930	880	983	0:SP2_SP1_SP3	C	Si	C	3:4:2:	3:4:4:4:	3:3:	C[6a]-3:Si-4:C-2:	C-3:C-4:C-4:C-4:	C-3:C-3:	C(C[6a]C[6a]2)(SiC3)(CC)	Si(CC[6a]C)(CCCH)3	C(CC[6a]Si)(CCH)	C(C[6a]C[6a]2)(SiC3)(CC)	Si(CC[6a]C)(CCCH)3	C(CC[6a]Si)(CCH)	117.5880	0.673	2	117.5880	0.453	2	117.5880	0.453	2	119.5260	1.792	9	116.9994	16.662	60	116.9994	16.662	60
930	880	983	0:SP2_SP1_SP3	C	Si	C	3:4:2:	3:4:4:4:	3:3:	N[5a]-3:Si-4:C-2:	C-3:C-4:C-4:C-4:	C-3:C-3:	C(N[5a]C[5a,6a]N[5a])(SiC3)(CC)	Si(CN[5a]C)(CH3)3	C(CC[5a]C[6a])(CN[5a]Si)	C(N[5a]C[5a,6a]N[5a])(SiC3)(CC)	Si(CN[5a]C)(CH3)3	C(CC[5a]C[6a])(CN[5a]Si)	119.2210	0.008	2	119.2210	0.000	2	120.1513	0.803	6	119.5260	1.792	9	116.9994	16.662	60	116.9994	16.662	60
930	880	983	0:SP2_SP1_SP3	C	Si	C	3:4:2:	3:4:4:4:	3:3:	N[5a]-3:Si-4:C-2:	C-3:C-4:C-4:C-4:	C-3:C-3:	C(N[5a]C[5a,6a]N[5a])(SiC3)(CC)	Si(CN[5a]C)(CH3)3	C(CN[5a]Si)(CC[6a]2)	C(N[5a]C[5a,6a]N[5a])(SiC3)(CC)	Si(CN[5a]C)(CH3)3	C(CN[5a]Si)(CC[6a]2)	120.6165	0.687	4	120.6165	0.472	4	120.1513	0.803	6	119.5260	1.792	9	116.9994	16.662	60	116.9994	16.662	60
930	880	983	0:SP2_SP1_SP3	C	Si	C	3:4:2:	4:4:4:3:	2:3:	C-3:Si-4:C-2:	C-4:C-4:C-4:C-3:	C-2:C-3:	C(CC[6a]C[5])(SiC3)(CC)	Si(CH3)3(CCC)	C(CC[6a])(CSiC)	C(CC[6a]C[5])(SiC3)(CC)	Si(CH3)3(CCC)	C(CC[6a])(CSiC)	110.8420	0.000	1	110.8420	0.000	1	110.8420	0.000	1	110.8420	0.000	1	116.9994	16.662	60	116.9994	16.662	60
930	880	983	0:SP2_SP1_SP3	C	Si	C	3:4:2:	4:4:4:3:	3:1:	C-3:Si-4:C-2:	C-4:C-4:C-4:C-3:	C-3:N-1:	C(CC[6a]S)(SiC3)(CN)	Si(CH3)3(CCC)	C(CSiC)(N)	C(CC[6a]S)(SiC3)(CN)	Si(CH3)3(CCC)	C(CSiC)(N)	115.7550	0.000	1	115.7550	0.000	1	115.7550	0.000	1	115.1033	2.351	3	116.9994	16.662	60	116.9994	16.662	60
930	880	983	0:SP2_SP1_SP3	C	Si	C	3:4:2:	4:4:4:3:	3:1:	C-3:Si-4:C-2:	C-4:C-4:C-4:C-3:	C-3:O-1:	C(CC[6]C)(SiC3)(CO)	Si(CCCH)3(CCC)	C(CSiC)(O)	C(CC[6]C)(SiC3)(CO)	Si(CCCH)3(CCC)	C(CSiC)(O)	114.7775	2.016	2	114.7775	4.064	2	114.7775	4.064	2	115.1033	2.351	3	116.9994	16.662	60	116.9994	16.662	60
930	880	983	0:SP2_SP1_SP3	C	Si	C	3:4:2:	4:4:4:3:	3:2:	C-3:Si-4:C-2:	C-4:C-4:C-4:C-3:	C-3:C-2:	C(CC[6a]2)(SiC3)(CC)	Si(CH3)3(CCC)	C(CSiC)(CSi)	C(CC[6a]2)(SiC3)(CC)	Si(CH3)3(CCC)	C(CSiC)(CSi)	113.0940	0.000	1	113.0940	0.000	1	118.0140	19.358	4	118.0140	19.358	4	116.9994	16.662	60	116.9994	16.662	60
930	880	983	0:SP2_SP1_SP3	C	Si	C	3:4:2:	4:4:4:3:	3:2:	C-3:Si-4:C-2:	C-4:C-4:C-4:C-3:	C-3:C-2:	C(CC[6a]H)(SiC3)(CC)	Si(CH3)3(CCC)	C(CSiC)(CSi)	C(CC[6a]H)(SiC3)(CC)	Si(CH3)3(CCC)	C(CSiC)(CSi)	116.1120	0.000	1	116.1120	0.000	1	118.0140	19.358	4	118.0140	19.358	4	116.9994	16.662	60	116.9994	16.662	60
930	880	983	0:SP2_SP1_SP3	C	Si	C	3:4:2:	4:4:4:3:	3:2:	C-3:Si-4:C-2:	C-4:C-4:C-4:C-3:	C-3:C-2:	C(CC[6a]O)(SiC3)(CC)	Si(CC3)(CH3)2(CCC)	C(CSiC)(CC)	C(CC[6a]O)(SiC3)(CC)	Si(CC3)(CH3)2(CCC)	C(CSiC)(CC)	121.4250	2.642	2	121.4250	6.979	2	118.0140	19.358	4	118.0140	19.358	4	116.9994	16.662	60	116.9994	16.662	60
930	880	983	0:SP2_SP1_SP3	C	Si	C	4:2:1:	3:4:4:4:	3:3:	Si-4:C-2:Br-1:	C-3:C-4:C-4:C-4:	C-3:C-3:	C(SiC3)(CC)(Br)	Si(CBrC)(CH3)3	C(CC[6a]2)(CBrSi)	C(SiC3)(CC)(Br)	Si(CBrC)(CH3)3	C(CC[6a]2)(CBrSi)	130.9530	0.000	1	130.9530	0.000	1	130.9530	0.000	1	130.9530	0.000	1	116.9994	16.662	60	116.9994	16.662	60
930	880	983	0:SP2_SP1_SP3	C	Si	C	4:2:1:	4:4:4:3:	3:2:	Si-4:C-2:H-1:	C-4:C-4:C-4:C-3:	C-3:C-2:	C(SiC3)(CC)(H)	Si(CC3)(CH3)2(CCH)	C(CSiH)(CC)	C(SiC3)(CC)(H)	Si(CC3)(CH3)2(CCH)	C(CSiH)(CC)	124.5180	0.000	1	124.5180	0.000	1	124.5180	0.000	1	124.5180	0.000	1	116.9994	16.662	60	116.9994	16.662	60
930	880	983	0:SP2_SP1_SP3	C	Si	C	4:2:4:	3:4:4:4:	3:3:	C[5]-4:C-2:Si-4:	C-3:C-4:C-4:C-4:	C[5]-3:C-3:	C(C[5]C[5,6a]2C)(CC[5])(SiC3)	Si(CC[5]C)(CH3)3	C(C[5]C[5,6a]2)(CC[5]Si)	C(C[5]C[5,6a]2C)(CC[5])(SiC3)	Si(CC[5]C)(CH3)3	C(C[5]C[5,6a]2)(CC[5]Si)	109.2540	0.000	1	109.2540	0.000	1	109.2540	0.000	1	109.2540	0.000	1	116.9994	16.662	60	116.9994	16.662	60
930	880	983	0:SP2_SP1_SP3	C	Si	C	4:3:2:	3:3:3:3:	2:3:	Si-4:C-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C-2:C-3:	C(SiC[6a]3)(CC[6a]H)(CC)	Si(C[6a]C[6a]2)3(CCC)	C(CC[6a])(CSiC)	C(SiC[6a]3)(CC[6a]H)(CC)	Si(C[6a]C[6a]2)3(CCC)	C(CC[6a])(CSiC)	116.3410	0.000	1	116.3410	0.000	1	116.3410	0.000	1	116.3410	0.000	1	116.9994	16.662	60	116.9994	16.662	60
930	880	983	0:SP2_SP1_SP3	C	Si	C	4:3:2:	3:3:3:3:	3:2:	Si-4:C-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C-3:C-2:	C(SiC[6a]3)(CCH)(CC)	Si(C[6a]C[6a]2)3(CCC)	C(CSiC)(CC)	C(SiC[6a]3)(CCH)(CC)	Si(C[6a]C[6a]2)3(CCC)	C(CSiC)(CC)	118.0605	1.822	2	118.0605	3.320	2	118.0605	3.320	2	118.0605	3.320	2	116.9994	16.662	60	116.9994	16.662	60
930	880	983	0:SP2_SP1_SP3	C	Si	C	4:3:2:	3:3:3:4:	3:1:	Si-4:C[5]-3:C-2:	C[6a]-3:C[6a]-3:C-3:C-4:	C-3:N-1:	C(SiC[6a]2C)(C[5]C[5]2)(CN)	Si(C[6a]C[6a]2)2(CC[5]C)(CC3)	C(CC[5]Si)(N)	C(SiC[6a]2C)(C[5]C[5]2)(CN)	Si(C[6a]C[6a]2)2(CC[5]C)(CC3)	C(CC[5]Si)(N)	116.6820	0.000	1	116.6820	0.000	1	116.6820	0.000	1	116.6820	0.000	1	116.9994	16.662	60	116.9994	16.662	60
930	880	983	0:SP2_SP1_SP3	C	Si	C	4:3:2:	3:3:4:3:	2:3:	Si-4:C-3:C-2:	C[6a]-3:C[6a]-3:C-4:C-3:	C-2:C-3:	C(SiC[6a]2C)(CClC)(CC)	Si(C[6a]C[6a]2)2(CC3)(CCC)	C(CC[6a])(CSiC)	C(SiC[6a]2C)(CClC)(CC)	Si(C[6a]C[6a]2)2(CC3)(CCC)	C(CC[6a])(CSiC)	120.7980	0.000	1	120.7980	0.000	1	120.7980	0.000	1	120.7980	0.000	1	116.9994	16.662	60	116.9994	16.662	60
930	880	983	0:SP2_SP1_SP3	C	Si	C	4:3:2:	3:3:4:3:	3:2:	Si-4:C-3:C-2:	C[6a]-3:C[6a]-3:C-4:C-3:	C-3:C-2:	C(SiC[6a]2C)(CSnC)(CC)	Si(C[6a]C[6a]2)2(CC3)(CCC)	C(CSiC)(CSi)	C(SiC[6a]2C)(CSnC)(CC)	Si(C[6a]C[6a]2)2(CC3)(CCC)	C(CSiC)(CSi)	117.3365	1.853	2	117.3365	3.435	2	117.3365	3.435	2	117.3365	3.435	2	116.9994	16.662	60	116.9994	16.662	60
930	880	983	0:SP2_SP1_SP3	C	Si	C	4:3:2:	4:4:4:3:	2:3:	Si-4:C-3:C-2:	C-4:C-4:C-4:C-3:	C-2:C-3:	C(SiC3)(CCC)(CC)	Si(CH3)3(CCC)	C(CC[6a])(CSiC)	C(SiC3)(CCC)(CC)	Si(CH3)3(CCC)	C(CC[6a])(CSiC)	116.3110	0.000	1	116.3110	0.000	1	116.3110	0.000	1	116.3110	0.000	1	116.9994	16.662	60	116.9994	16.662	60
930	880	983	0:SP2_SP1_SP3	C	Si	C	4:3:2:	4:4:4:3:	3:1:	Si-4:C-3:C-2:	C-4:C-4:C-4:C-3:	C-3:O-1:	C(SiC3)(CSiC)(CO)	Si(CH3)3(CCC)	C(CSiC)(O)	C(SiC3)(CSiC)(CO)	Si(CH3)3(CCC)	C(CSiC)(O)	114.4540	0.000	1	114.4540	0.000	1	114.4540	0.000	1	114.4540	0.000	1	116.9994	16.662	60	116.9994	16.662	60
930	880	983	0:SP2_SP1_SP3	C	Si	C	4:3:2:	4:4:4:3:	3:3:	Si-4:C-3:C-2:	C-4:C-4:C-4:C-3:	C-3:C-3:	C(SiC3)(CSiC)(CC)	Si(CH3)3(CCC)	C(CC[6a]H)(CSiC)	C(SiC3)(CSiC)(CC)	Si(CH3)3(CCC)	C(CC[6a]H)(CSiC)	116.3690	0.000	1	116.3690	0.000	1	116.3640	0.000	2	116.3640	0.000	2	116.9994	16.662	60	116.9994	16.662	60
930	880	983	0:SP2_SP1_SP3	C	Si	C	4:3:2:	4:4:4:3:	3:3:	Si-4:C-3:C-2:	C-4:C-4:C-4:C-3:	C-3:C-3:	C(SiC3)(CSiC)(CC)	Si(CH3)3(CCC)	C(CSiC)(CCC)	C(SiC3)(CSiC)(CC)	Si(CH3)3(CCC)	C(CSiC)(CCC)	116.3590	0.000	1	116.3590	0.000	1	116.3640	0.000	2	116.3640	0.000	2	116.9994	16.662	60	116.9994	16.662	60
930	880	983	0:SP2_SP1_SP3	C	Si	C	4:4:2:	3:4:4:4:	3:1:	C[3]-4:Si-4:C-2:	C-3:C-4:C-4:C-4:	C-3:O-1:	C(C[3]C[3,5]C[6a]C[3])(SiC3)(CO)	Si(CC[3]C)(CH3)3	C(CC[3]Si)(O)	C(C[3]C[3,5]C[6a]C[3])(SiC3)(CO)	Si(CC[3]C)(CH3)3	C(CC[3]Si)(O)	115.7540	0.000	1	115.7540	0.000	1	115.7540	0.000	1	115.7540	0.000	1	116.9994	16.662	60	116.9994	16.662	60
930	880	983	0:SP2_SP1_SP3	C	Si	C	4:4:2:	3:4:4:4:	3:3:	C[5]-4:Si-4:C-2:	C-3:C-4:C-4:C-4:	C-3:C-3:	C(C[5]C[5,6a]C[5]C)(SiC3)(CC)	Si(CC[5]C)(CCCH)3	C(CC[5]Si)(CHH)	C(C[5]C[5,6a]C[5]C)(SiC3)(CC)	Si(CC[5]C)(CCCH)3	C(CC[5]Si)(CHH)	113.7070	0.000	1	113.7070	0.000	1	113.7070	0.000	1	113.7070	0.000	1	116.9994	16.662	60	116.9994	16.662	60
930	880	983	0:SP2_SP1_SP3	C	Si	C	4:4:2:	4:4:4:3:	3:2:	C-4:Si-4:C-2:	C-4:C-4:C-4:C-3:	C-3:C-2:	C(CC[6a]HO)(SiC3)(CC)	Si(CC3)(CH3)2(CCC)	C(CSiC)(CC)	C(CC[6a]HO)(SiC3)(CC)	Si(CC3)(CH3)2(CCC)	C(CSiC)(CC)	120.2587	1.160	3	120.2587	1.346	3	119.5361	2.409	7	119.6805	2.232	8	116.9994	16.662	60	116.9994	16.662	60
930	880	983	0:SP2_SP1_SP3	C	Si	C	4:4:2:	4:4:4:3:	3:2:	C-4:Si-4:C-2:	C-4:C-4:C-4:C-3:	C-3:C-2:	C(CC[6a]HO)(SiC3)(CC)	Si(CCCH)3(CCC)	C(CSiC)(CC)	C(CC[6a]HO)(SiC3)(CC)	Si(CCCH)3(CCC)	C(CSiC)(CC)	118.9942	1.734	4	118.9942	3.007	4	119.5361	2.409	7	119.6805	2.232	8	116.9994	16.662	60	116.9994	16.662	60
930	880	983	0:SP2_SP1_SP3	C	Si	C	4:4:2:	4:4:4:3:	3:2:	C-4:Si-4:C-2:	C-4:C-4:C-4:C-3:	C-3:N-2:	C(CC[6a]HH)(SiC3)(CN)	Si(CH3)3(CCC)	C(CSiC)(NC)	C(CC[6a]HH)(SiC3)(CN)	Si(CH3)3(CCC)	C(CSiC)(NC)	120.6910	0.000	1	120.6910	0.000	1	120.6910	0.000	1	119.6805	2.232	8	116.9994	16.662	60	116.9994	16.662	60
930	880	983	0:SP2_SP1_SP3	C	Si	C	4:4:2:	4:4:4:3:	3:3:	B-4:Si-4:C-2:	C-4:C-4:C-4:C-3:	C-3:N-3:	C(BC[6a]3)(SiC3)(CN)	Si(CH3)3(CBC)	C(CSiB)(NCC)	C(BC[6a]3)(SiC3)(CN)	Si(CH3)3(CBC)	C(CSiB)(NCC)	111.3130	0.000	1	111.3130	0.000	1	111.3130	0.000	1	115.6924	14.039	5	116.9994	16.662	60	116.9994	16.662	60
930	880	983	0:SP2_SP1_SP3	C	Si	C	4:4:2:	4:4:4:3:	3:3:	C-4:Si-4:C-2:	C-4:C-4:C-4:C-3:	C-3:C-3:	C(CC[6a]CN)(SiC3)(CC)	Si(CH3)3(CCC)	C(CSiC)(CHH)	C(CC[6a]CN)(SiC3)(CC)	Si(CH3)3(CCC)	C(CSiC)(CHH)	114.1980	0.000	1	114.1980	0.000	1	117.7867	10.097	3	115.6924	14.039	5	116.9994	16.662	60	116.9994	16.662	60
930	880	983	0:SP2_SP1_SP3	C	Si	C	4:4:2:	4:4:4:3:	3:3:	C-4:Si-4:C-2:	C-4:C-4:C-4:C-3:	C-3:C-3:	C(CHHN)(SiC3)(CC)	Si(CCCH)3(CCC)	C(CSiC)(CFF)	C(CHHN)(SiC3)(CC)	Si(CCCH)3(CCC)	C(CSiC)(CFF)	119.5810	0.936	2	119.5810	0.876	2	117.7867	10.097	3	115.6924	14.039	5	116.9994	16.662	60	116.9994	16.662	60
930	880	983	0:SP2_SP1_SP3	C	Si	C	4:4:2:	4:4:4:3:	3:3:	Si-4:C-4:C-2:	C-4:C-4:C-4:C-3:	Si-3:C-3:	C(SiC3)(CC3)(CSi)	Si(CH3)3(CCC)	C(SiC[6a]C)(CSiC)	C(SiC3)(CC3)(CSi)	Si(CH3)3(CCC)	C(SiC[6a]C)(CSiC)	113.7890	0.000	1	113.7890	0.000	1	113.7890	0.000	1	115.6924	14.039	5	116.9994	16.662	60	116.9994	16.662	60
930	880	984	0:SP2_SP-NON_SP3	C	Si	Ga	3:4:4:	3:4:4:4:	3:3:1:1:	C-3:Ga-4:Si-4:	C-3:C-4:C-4:C-4:	C-3:O-3:Cl-1:Cl-1:	C(CC[6a]H)(GaCl2O)(SiC3)	Si(CGaC)(CH3)3	Ga(CSiC)(OCC)(Cl)2	C(CC[6a]H)(GaCl2O)(SiC3)	Si(CGaC)(CH3)3	Ga(CSiC)(OCC)(Cl)2	118.7207	0.248	3	118.7207	0.062	3	118.7207	0.062	3	118.7207	0.062	3	118.7207	0.062	3	118.7207	0.062	3
930	880	992	0:SP2_SP3_SP3	C	Si	P	4:2:4:	4:4:4:3:	3:3:3:1:	P-4:P-2:Si-4:	C-4:C-4:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:S-1:	C(PC[6a]2S)(PC[6a])(SiC3)	Si(CH3)3(CPP)	P(C[6a]C[6a]2)2(CSiP)(S)	C(PC[6a]2S)(PC[6a])(SiC3)	Si(CH3)3(CPP)	P(C[6a]C[6a]2)2(CSiP)(S)	114.1240	1.411	2	114.1240	1.992	2	114.1240	1.992	2	114.1240	1.992	2	116.7697	5.659	17	116.7697	5.659	17
930	880	992	0:SP2_SP3_SP3	C	Si	P	4:3:4:	4:4:4:3:	3:2:3:1:	P-4:C-3:Si-4:	C-4:C-4:C-4:C-3:	C[6a]-3:O-2:C-3:O-1:	C(PC[6a]OO)(CC[6a]H)(SiC3)	Si(CH3)3(CCP)	P(C[6a]C[6a]2)(OC[6a])(CSiC)(O)	C(PC[6a]OO)(CC[6a]H)(SiC3)	Si(CH3)3(CCP)	P(C[6a]C[6a]2)(OC[6a])(CSiC)(O)	116.7040	0.000	1	116.7040	0.000	1	116.7040	0.000	1	116.7040	0.000	1	116.7697	5.659	17	116.7697	5.659	17
930	880	992	0:SP2_SP3_SP3	C	Si	P	4:4:4:	3:4:4:4:	3:4:4:4:	P-4:Si-4:Si-4:	C-3:C-4:C-4:C-4:	C-3:B-4:C-4:C-4:	C(PBCC)(SiC3)2	Si(CSiP)(CH3)3	P(CSi2)(BH3)(CH3)2	C(PBCC)(SiC3)2	Si(CSiP)(CH3)3	P(CSi2)(BH3)(CH3)2	117.0083	2.305	12	117.0083	5.312	12	117.0083	5.312	12	117.0083	5.312	12	116.7697	5.659	17	116.7697	5.659	17
930	880	992	0:SP2_SP3_SP3	C	Si	P	4:4:4:	3:4:4:4:	5:3:4:4:	P-4:Si-4:Si-4:	C-3:C-4:C-4:C-4:	B-5:C-3:C-4:C-4:	C(PBCC)(SiC3)2	Si(CSiP)(CH3)3	P(BSmH3)(CSi2)(CH3)2	C(PBCC)(SiC3)2	Si(CSiP)(CH3)3	P(BSmH3)(CSi2)(CH3)2	118.0165	3.511	2	118.0165	12.326	2	118.0165	12.326	2	118.0165	12.326	2	116.7697	5.659	17	116.7697	5.659	17
930	882	930	0:SP2_SP2_SP3	C	P[4]	C	3:3:1:	3:3:3:	3:3:1:	P[4]-3:C-3:H-1:	C[4,6a]-3:C[4]-3:C-3:	C[6a]-3:C-3:H-1:	C(P[4]C[4,6a]C[4])(CC[6a]H)(H)	P[4](C[4,6a]C[4,6a]C[6a])(C[4]C[4,6a]C)(CCH)	C(C[6a]C[6a]2)(CP[4]H)(H)	C(P[4]C[4,6a]C[4])(CC[6a]H)(H)	P[4](C[4,6a]C[4,6a]C[6a])(C[4]C[4,6a]C)(CCH){1|C<4>,2|C<3>}	C(C[6a]C[6a]2)(CP[4]H)(H)	128.0990	0.000	1	128.0990	0.000	1	128.0990	0.000	1	128.0990	0.000	1	122.9013	24.212	3	122.9013	24.212	3
930	882	930	0:SP2_SP2_SP3	C	P[4]	C	3:3:1:	4:3:3:	3:4:3:	P[4]-3:C-3:O-1:	C[4]-4:C[4]-3:C-3:	C-3:C-4:C-3:	C(P[4]C[4]2)(CCC)(O)	P[4](C[4]C[4]CH)(C[4]C[4]O)(CCO)	C(CP[4]O)(CC3)(CCH)	C(P[4]C[4]2)(CCC)(O)	P[4](C[4]C[4]CH)(C[4]C[4]O)(CCO){1|C<4>,1|H<1>}	C(CP[4]O)(CC3)(CCH)	118.3150	0.000	1	118.3150	0.000	1	118.3150	0.000	1	118.3150	0.000	1	122.9013	24.212	3	122.9013	24.212	3
930	882	930	0:SP2_SP2_SP3	C	P[4]	C	3:3:4:	3:3:3:	3:3:1:	P[4]-3:C-3:C-4:	C[4,6a]-3:C[4]-3:C-3:	C[6a]-3:C-3:H-1:	C(P[4]C[4,6a]C[4])(CC[6a]H)(CH3)	P[4](C[4,6a]C[4,6a]C[6a])(C[4]C[4,6a]C)(CCC)	C(C[6a]C[6a]2)(CP[4]C)(H)	C(P[4]C[4,6a]C[4])(CC[6a]H)(CH3)	P[4](C[4,6a]C[4,6a]C[6a])(C[4]C[4,6a]C)(CCC){1|C<4>,2|C<3>}	C(C[6a]C[6a]2)(CP[4]C)(H)	122.2900	0.000	1	122.2900	0.000	1	122.2900	0.000	1	122.2900	0.000	1	122.9013	24.212	3	122.9013	24.212	3
930	882	951	0:SP2_SP-NON_SP3	C	P[4]	H	3:3:1:	3:3:3:	3:	P[4]-3:C-3:H-1:	C[4,6a]-3:C[4]-3:C-3:	C-3:	C(P[4]C[4,6a]C[4])(CC[6a]H)(H)	P[4](C[4,6a]C[4,6a]C[6a])(C[4]C[4,6a]C)(CCH)	H(CP[4]C)	C(P[4]C[4,6a]C[4])(CC[6a]H)(H)	P[4](C[4,6a]C[4,6a]C[6a])(C[4]C[4,6a]C)(CCH){1|C<4>,2|C<3>}	H(CP[4]C)	115.9380	0.000	1	115.9380	0.000	1	115.9380	0.000	1	115.9380	0.000	1	115.9380	0.000	1	115.9380	0.000	1
930	887	909	0:SP2_SP2_SP3	C	S	S	3:3:2:	4:3:1:	4:3:	C-3:S-3:S-2:	C-4:C-3:O-1:	C-4:C-3:	C(CCC)(SCO)(SC)	S(CH3)(CCS)(O)	S(CH3)(CCS)	C(CCC)(SCO)(SC)	S(CH3)(CCS)(O)	S(CH3)(CCS)	109.0900	0.000	1	109.0900	0.000	1	109.0900	0.000	1	109.0900	0.000	1	109.0900	0.000	1	109.0900	0.000	1
930	887	930	0:SP2_SP2_SP3	C	S	C	3:3:1:	3:3:1:	3:2:1:	C-3:S-3:H-1:	C-3:C-3:O-1:	C-3:S-2:H-1:	C(CHS)(SCO)(H)	S(CCH)2(O)	C(CHS)(SC)(H)	C(CHS)(SCO)(H)	S(CCH)2(O)	C(CHS)(SC)(H)	122.0015	0.501	2	122.0015	0.251	2	122.0015	0.251	2	122.0015	0.251	2	119.6981	19.649	35	119.6981	19.649	35
930	887	930	0:SP2_SP2_SP3	C	S	C	3:3:1:	3:3:1:	3:3:1:	C-3:S-3:H-1:	C-3:C-3:O-1:	C-3:C-3:H-1:	C(CCH)(SCO)(H)	S(CCH)2(O)	C(CHS)(COO)(H)	C(CCH)(SCO)(H)	S(CCH)2(O)	C(CHS)(COO)(H)	123.8700	2.452	2	123.8700	6.014	2	123.8700	6.014	2	121.9482	9.163	5	119.6981	19.649	35	119.6981	19.649	35
930	887	930	0:SP2_SP2_SP3	C	S	C	3:3:1:	3:3:1:	3:3:1:	C-3:S-3:H-1:	C[6a]-3:C-3:O-1:	C[6a]-3:C-3:H-1:	C(CC[6a]H)(SC[6a]O)(H)	S(C[6a]C[6a]2)(CCH)(O)	C(C[6a]C[6a]2)(CHS)(H)	C(CC[6a]H)(SC[6a]O)(H)	S(C[6a]C[6a]2)(CCH)(O)	C(C[6a]C[6a]2)(CHS)(H)	120.6670	3.027	3	120.6670	9.164	3	120.6670	9.164	3	121.9482	9.163	5	119.6981	19.649	35	119.6981	19.649	35
930	887	930	0:SP2_SP2_SP3	C	S	C	3:3:1:	3:3:1:	4:3:1:	C-3:S-3:H-1:	C[6a]-3:C-3:O-1:	C[5,6]-4:C-3:I-1:	C(CC[5,6]I)(SC[6a]O)(H)	S(C[6a]C[6a]2)(CCH)(O)	C(C[5,6]C[5,5,6]C[5,6]O)(CHS)(I)	C(CC[5,6]I)(SC[6a]O)(H)	S(C[6a]C[6a]2)(CCH)(O)	C(C[5,6]C[5,5,6]C[5,6]O)(CHS)(I)	129.4600	0.000	1	129.4600	0.000	1	129.4600	0.000	1	125.3990	9.837	5	119.6981	19.649	35	119.6981	19.649	35
930	887	930	0:SP2_SP2_SP3	C	S	C	3:3:1:	3:3:1:	4:3:1:	S-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C-4:C-3:H-1:	C(SC[6a]O)(CCH)(H)	S(C[6a]C[6a]2)(CCH)(O)	C(CCHO)(CHS)(H)	C(SC[6a]O)(CCH)(H)	S(C[6a]C[6a]2)(CCH)(O)	C(CCHO)(CHS)(H)	123.3440	0.000	1	123.3440	0.000	1	122.3605	1.935	2	125.3990	9.837	5	119.6981	19.649	35	119.6981	19.649	35
930	887	930	0:SP2_SP2_SP3	C	S	C	3:3:1:	3:3:1:	4:3:1:	S-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C-4:C-3:H-1:	C(SC[6a]O)(CCH)(H)	S(C[6a]C[6a]2)(CCH)(O)	C(CCOO)(CHS)(H)	C(SC[6a]O)(CCH)(H)	S(C[6a]C[6a]2)(CCH)(O)	C(CCOO)(CHS)(H)	121.3770	0.000	1	121.3770	0.000	1	122.3605	1.935	2	125.3990	9.837	5	119.6981	19.649	35	119.6981	19.649	35
930	887	930	0:SP2_SP2_SP3	C	S	C	3:3:1:	3:3:1:	4:3:1:	S-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C-4:C-3:I-1:	C(SC[6a]O)(CCI)(H)	S(C[6a]C[6a]2)(CCH)(O)	C(CHHO)(CHS)(I)	C(SC[6a]O)(CCI)(H)	S(C[6a]C[6a]2)(CCH)(O)	C(CHHO)(CHS)(I)	126.4070	0.652	2	126.4070	0.425	2	126.4070	0.425	2	125.3990	9.837	5	119.6981	19.649	35	119.6981	19.649	35
930	887	930	0:SP2_SP2_SP3	C	S	C	3:3:1:	4:3:1:	3:3:3:	C-3:S-3:H-1:	C-4:C-3:O-1:	C[6a]-3:C-3:C-3:	C(CC[6a]C)(SCO)(H)	S(CH3)(CCH)(O)	C(C[6a]C[6a]2)(CCC)(CHS)	C(CC[6a]C)(SCO)(H)	S(CH3)(CCH)(O)	C(C[6a]C[6a]2)(CCC)(CHS)	122.0920	0.000	1	122.0920	0.000	1	122.0920	0.000	1	122.0920	0.000	1	119.6981	19.649	35	119.6981	19.649	35
930	887	930	0:SP2_SP2_SP3	C	S	C	3:3:1:	4:3:1:	4:3:1:	C-3:S-3:H-1:	C-4:C-3:O-1:	C-4:C-3:H-1:	C(CCH)(SCO)(H)	S(CCHH)(CCH)(O)	C(CH3)(CHS)(H)	C(CCH)(SCO)(H)	S(CCHH)(CCH)(O)	C(CH3)(CHS)(H)	120.8790	0.000	1	120.8790	0.000	1	120.8790	0.000	1	120.8790	0.000	1	119.6981	19.649	35	119.6981	19.649	35
930	887	930	0:SP2_SP2_SP3	C	S	C	3:3:2:	3:3:1:	3:3:3:	S-3:C-3:C-2:	C[6a]-3:C-3:O-1:	C-3:C-3:C-3:	C(SC[6a]O)(CCC)(CN)	S(C[6a]C[6a]2)(CCC)(O)	C(CCS)(COO)2	C(SC[6a]O)(CCC)(CN)	S(C[6a]C[6a]2)(CCC)(O)	C(CCS)(COO)2	122.6310	0.000	1	122.6310	0.000	1	122.6310	0.000	1	122.6310	0.000	1	119.6981	19.649	35	119.6981	19.649	35
930	887	930	0:SP2_SP2_SP3	C	S	C	3:3:2:	4:3:1:	3:3:2:	C-3:S-3:S-2:	C-4:C-3:O-1:	C-3:C-3:C-2:	C(CCC)(SCO)(SC)	S(CH3)(CCS)(O)	C(COO)(CSS)(CN)	C(CCC)(SCO)(SC)	S(CH3)(CCS)(O)	C(COO)(CSS)(CN)	121.3380	0.000	1	121.3380	0.000	1	121.3380	0.000	1	121.3380	0.000	1	119.6981	19.649	35	119.6981	19.649	35
930	887	930	0:SP2_SP2_SP3	C	S	C	3:3:2:	4:4:3:	3:2:1:	C-3:S-3:N-2:	C-4:C-4:C-3:	C-3:O-2:O-1:	C(COO)(SCC)(NN)	S(CH3)2(CCN)	C(CNS)(OC)(O)	C(COO)(SCC)(NN)	S(CH3)2(CCN)	C(CNS)(OC)(O)	126.1600	0.000	1	126.1600	0.000	1	126.1600	0.000	1	126.1600	0.000	1	119.6981	19.649	35	119.6981	19.649	35
930	887	930	0:SP2_SP2_SP3	C	S	C	3:3:3:	3:4:1:	3:3:1:	C[6a]-3:C-3:S-3:	C-3:C-4:O-1:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5a]H)(SCO)	S(CC[6a]C)(CH3)(O)	C(C[5a]N[5a]S[5a])(CC[6a]S)(H)	C(C[6a]C[6a]2)(CC[5a]H)(SCO)	S(CC[6a]C)(CH3)(O)	C(C[5a]N[5a]S[5a])(CC[6a]S)(H)	120.8280	0.000	1	120.8280	0.000	1	120.8280	0.000	1	120.8280	0.000	1	119.6981	19.649	35	119.6981	19.649	35
930	887	930	0:SP2_SP2_SP3	C	S	C	3:3:3:	3:4:4:	3:3:1:	C[6a]-3:C-3:S-3:	C-3:C-4:C-4:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(SCC)	S(CC[6a]C)(CH3)2	C(C[6a]C[6a]2)(CC[6a]S)(H)	C(C[6a]C[6a]2)(CC[6a]H)(SCC)	S(CC[6a]C)(CH3)2	C(C[6a]C[6a]2)(CC[6a]S)(H)	117.8160	0.000	1	117.8160	0.000	1	117.8160	0.000	1	117.8160	0.000	1	119.6981	19.649	35	119.6981	19.649	35
930	887	930	0:SP2_SP2_SP3	C	S	C	3:3:3:	3:4:4:	4:3:1:	C[6a]-3:C-3:S-3:	C-3:C-4:C-4:	B-4:C-3:H-1:	C(C[6a]C[6a]2)(CBH)(SCC)	S(CC[6a]C)(CH3)2	C(BC[6a]3)(CC[6a]S)(H)	C(C[6a]C[6a]2)(CBH)(SCC)	S(CC[6a]C)(CH3)2	C(BC[6a]3)(CC[6a]S)(H)	113.6010	0.577	2	113.6010	0.333	2	113.6010	0.333	2	113.6010	0.333	2	119.6981	19.649	35	119.6981	19.649	35
930	887	930	0:SP2_SP2_SP3	C	S	C	3:3:3:	4:3:1:	3:1:1:	C[6a]-3:C-3:S-3:	C-4:C-3:O-1:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(CHH)(SCO)	S(CC[6]HH)(CC[6a]C)(O)	C(CC[6a]S)(H)2	C(C[6a]C[6a]2)(CHH)(SCO)	S(CC[6]HH)(CC[6a]C)(O)	C(CC[6a]S)(H)2	117.6900	0.054	2	117.6900	0.003	2	117.4742	0.417	4	117.4742	0.417	4	119.6981	19.649	35	119.6981	19.649	35
930	887	930	0:SP2_SP2_SP3	C	S	C	3:3:3:	4:3:1:	3:1:1:	C[6a]-3:C-3:S-3:	C-4:C-3:O-1:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(CHH)(SCO)	S(CC[6a]HH)(CC[6a]C)(O)	C(CC[6a]S)(H)2	C(C[6a]C[6a]2)(CHH)(SCO)	S(CC[6a]HH)(CC[6a]C)(O)	C(CC[6a]S)(H)2	117.2585	1.030	2	117.2585	1.061	2	117.4742	0.417	4	117.4742	0.417	4	119.6981	19.649	35	119.6981	19.649	35
930	887	930	0:SP2_SP2_SP3	C	S	C	3:3:3:	4:4:3:	3:2:1:	C-3:C-3:S-3:	C-4:C-4:C-3:	C-3:O-2:O-1:	C(COO)2(SCC)	S(CCHH)(CF3)(CCC)	C(CCS)(OC)(O)	C(COO)2(SCC)	S(CCHH)(CF3)(CCC)	C(CCS)(OC)(O)	117.0720	0.393	2	117.0720	0.155	2	117.0720	0.155	2	117.0720	0.155	2	119.6981	19.649	35	119.6981	19.649	35
930	887	930	0:SP2_SP2_SP3	C	S	C	3:3:3:	4:4:3:	4:3:1:	C[6a]-3:C-3:S-3:	C-4:C-4:C-3:	B-4:C-3:H-1:	C(C[6a]C[6a]2)(CBH)(SCC)	S(CC[6a]HH)2(CC[6a]C)	C(BC[6a]3)(CC[6a]S)(H)	C(C[6a]C[6a]2)(CBH)(SCC)	S(CC[6a]HH)2(CC[6a]C)	C(BC[6a]3)(CC[6a]S)(H)	111.6740	0.000	1	111.6740	0.000	1	111.6740	0.000	1	111.6740	0.000	1	119.6981	19.649	35	119.6981	19.649	35
930	887	930	0:SP2_SP2_SP3	C	S	C	3:4:3:	3:3:1:	2:4:3:	S-3:C-4:C-3:	C[6a]-3:C-3:O-1:	Se-2:C-4:C-3:	C(SC[6a]O)(CCHH)(CSeC)	S(C[6a]C[6a]2)(CCC)(O)	C(SeC[6a])(CCCO)(CCS)	C(SC[6a]O)(CCHH)(CSeC)	S(C[6a]C[6a]2)(CCC)(O)	C(SeC[6a])(CCCO)(CCS)	123.2790	0.000	1	123.2790	0.000	1	123.2790	0.000	1	123.2790	0.000	1	119.6981	19.649	35	119.6981	19.649	35
930	887	930	0:SP2_SP2_SP3	C	S	C	3:4:3:	3:3:1:	3:1:1:	S-3:C-4:C-3:	C[6a]-3:C-3:O-1:	C-3:H-1:H-1:	C(SC[6a]O)(CC3)(CHH)	S(C[6a]C[6a]2)(CCC)(O)	C(CCS)(H)2	C(SC[6a]O)(CC3)(CHH)	S(C[6a]C[6a]2)(CCC)(O)	C(CCS)(H)2	114.8372	1.842	5	114.8372	3.394	5	114.8372	3.394	5	114.8372	3.394	5	119.6981	19.649	35	119.6981	19.649	35
930	887	930	0:SP2_SP2_SP3	C	S	C	4:3:3:	3:3:1:	3:2:1:	C-4:S-3:C-3:	C[6a]-3:C-3:O-1:	C-3:O-2:H-1:	C(CC[6a]HO)(SC[6a]O)(CHO)	S(C[6a]C[6a]2)(CCC)(O)	C(CCS)(OC)(H)	C(CC[6a]HO)(SC[6a]O)(CHO)	S(C[6a]C[6a]2)(CCC)(O)	C(CCS)(OC)(H)	116.5680	0.000	1	116.5680	0.000	1	116.5680	0.000	1	116.5680	0.000	1	119.6981	19.649	35	119.6981	19.649	35
930	887	941	0:SP2_SP2_SP3	C	S	N	3:3:2:	4:4:3:	3:1:	C-3:S-3:N-2:	C-4:C-4:C-3:	C-3:N-1:	C(COO)(SCC)(NN)	S(CH3)2(CCN)	N(CCS)(N)	C(COO)(SCC)(NN)	S(CH3)2(CCN)	N(CCS)(N)	114.8710	0.000	1	114.8710	0.000	1	114.8710	0.000	1	114.8710	0.000	1	114.8710	0.000	1	114.8710	0.000	1
930	887	951	0:SP2_SP-NON_SP3	C	S	H	3:1:1:	4:3:1:	3:	S-3:H-1:H-1:	C-4:C-3:O-1:	C-3:	C(SCO)(H)2	S(CH3)(CHH)(O)	H(CHS)	C(SCO)(H)2	S(CH3)(CHH)(O)	H(CHS)	110.0150	0.040	2	110.0150	0.002	2	110.0150	0.002	2	110.0150	0.002	2	115.8716	19.328	17	115.8716	19.328	17
930	887	951	0:SP2_SP-NON_SP3	C	S	H	3:2:1:	3:3:1:	3:	S-3:C-2:H-1:	C[6a]-3:C-3:O-1:	C-3:	C(SC[6a]O)(CC[5,6])(H)	S(C[6a]C[6a]2)(CCH)(O)	H(CCS)	C(SC[6a]O)(CC[5,6])(H)	S(C[6a]C[6a]2)(CCH)(O)	H(CCS)	110.5110	0.000	1	110.5110	0.000	1	110.5110	0.000	1	110.5110	0.000	1	115.8716	19.328	17	115.8716	19.328	17
930	887	951	0:SP2_SP-NON_SP3	C	S	H	3:3:1:	3:3:1:	3:	C-3:S-3:H-1:	C-3:C-3:O-1:	C-3:	C(CCH)(SCO)(H)	S(CCH)2(O)	H(CCS)	C(CCH)(SCO)(H)	S(CCH)2(O)	H(CCS)	118.0740	1.164	2	118.0740	1.355	2	118.5607	0.787	4	116.7322	16.366	12	115.8716	19.328	17	115.8716	19.328	17
930	887	951	0:SP2_SP-NON_SP3	C	S	H	3:3:1:	3:3:1:	3:	C-3:S-3:H-1:	C-3:C-3:O-1:	C-3:	C(CHS)(SCO)(H)	S(CCH)2(O)	H(CCS)	C(CHS)(SCO)(H)	S(CCH)2(O)	H(CCS)	119.0475	0.243	2	119.0475	0.059	2	118.5607	0.787	4	116.7322	16.366	12	115.8716	19.328	17	115.8716	19.328	17
930	887	951	0:SP2_SP-NON_SP3	C	S	H	3:3:1:	3:3:1:	3:	C-3:S-3:H-1:	C[6a]-3:C-3:O-1:	C-3:	C(CC[5,6]I)(SC[6a]O)(H)	S(C[6a]C[6a]2)(CCH)(O)	H(CCS)	C(CC[5,6]I)(SC[6a]O)(H)	S(C[6a]C[6a]2)(CCH)(O)	H(CCS)	115.6520	0.000	1	115.6520	0.000	1	118.6617	5.544	4	116.7322	16.366	12	115.8716	19.328	17	115.8716	19.328	17
930	887	951	0:SP2_SP-NON_SP3	C	S	H	3:3:1:	3:3:1:	3:	C-3:S-3:H-1:	C[6a]-3:C-3:O-1:	C-3:	C(CC[6a]H)(SC[6a]O)(H)	S(C[6a]C[6a]2)(CCH)(O)	H(CCS)	C(CC[6a]H)(SC[6a]O)(H)	S(C[6a]C[6a]2)(CCH)(O)	H(CCS)	119.6650	1.509	3	119.6650	2.278	3	118.6617	5.544	4	116.7322	16.366	12	115.8716	19.328	17	115.8716	19.328	17
930	887	951	0:SP2_SP-NON_SP3	C	S	H	3:3:1:	3:3:1:	3:	S-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C-3:	C(SC[6a]O)(CCH)(H)	S(C[6a]C[6a]2)(CCH)(O)	H(CCS)	C(SC[6a]O)(CCH)(H)	S(C[6a]C[6a]2)(CCH)(O)	H(CCS)	117.1305	1.760	2	117.1305	3.098	2	112.9740	25.424	4	116.7322	16.366	12	115.8716	19.328	17	115.8716	19.328	17
930	887	951	0:SP2_SP-NON_SP3	C	S	H	3:3:1:	3:3:1:	3:	S-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C-3:	C(SC[6a]O)(CCI)(H)	S(C[6a]C[6a]2)(CCH)(O)	H(CCS)	C(SC[6a]O)(CCI)(H)	S(C[6a]C[6a]2)(CCH)(O)	H(CCS)	108.8175	2.017	2	108.8175	4.070	2	112.9740	25.424	4	116.7322	16.366	12	115.8716	19.328	17	115.8716	19.328	17
930	887	951	0:SP2_SP-NON_SP3	C	S	H	3:3:1:	4:3:1:	3:	C-3:S-3:H-1:	C-4:C-3:O-1:	C-3:	C(CCH)(SCO)(H)	S(CCHH)(CCH)(O)	H(CCS)	C(CCH)(SCO)(H)	S(CCHH)(CCH)(O)	H(CCS)	119.5760	0.000	1	119.5760	0.000	1	119.2455	0.218	2	119.2455	0.218	2	115.8716	19.328	17	115.8716	19.328	17
930	887	951	0:SP2_SP-NON_SP3	C	S	H	3:3:1:	4:3:1:	3:	C-3:S-3:H-1:	C-4:C-3:O-1:	C-3:	C(CC[6a]C)(SCO)(H)	S(CH3)(CCH)(O)	H(CCS)	C(CC[6a]C)(SCO)(H)	S(CH3)(CCH)(O)	H(CCS)	118.9150	0.000	1	118.9150	0.000	1	119.2455	0.218	2	119.2455	0.218	2	115.8716	19.328	17	115.8716	19.328	17
930	887	983	0:SP2_SP1_SP3	C	S	C	3:2:1:	3:3:1:	3:3:	S-3:C-2:H-1:	C[6a]-3:C-3:O-1:	C[5,6]-3:C-3:	C(SC[6a]O)(CC[5,6])(H)	S(C[6a]C[6a]2)(CCH)(O)	C(C[5,6]C[5,5,6]C[5,6])(CHS)	C(SC[6a]O)(CC[5,6])(H)	S(C[6a]C[6a]2)(CCH)(O)	C(C[5,6]C[5,5,6]C[5,6])(CHS)	121.9430	0.000	1	121.9430	0.000	1	121.9430	0.000	1	121.9430	0.000	1	117.0780	47.336	2	117.0780	47.336	2
930	887	983	0:SP2_SP1_SP3	C	S	C	3:3:2:	3:3:1:	3:1:	S-3:C-3:C-2:	C[6a]-3:C-3:O-1:	C-3:N-1:	C(SC[6a]O)(CCC)(CN)	S(C[6a]C[6a]2)(CCC)(O)	C(CCS)(N)	C(SC[6a]O)(CCC)(CN)	S(C[6a]C[6a]2)(CCC)(O)	C(CCS)(N)	112.2130	0.000	1	112.2130	0.000	1	112.2130	0.000	1	112.2130	0.000	1	117.0780	47.336	2	117.0780	47.336	2
930	890	890	0:SP2_SP3_SP3	C	As	As	4:4:2:	3:3:3:3:	3:3:3:3:	As-4:As-4:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(AsC[6a]3)2(CN)	As(C[6a]C[6a]2)3(CAsC)	As(C[6a]C[6a]2)3(CAsC)	C(AsC[6a]3)2(CN)	As(C[6a]C[6a]2)3(CAsC)	As(C[6a]C[6a]2)3(CAsC)	126.5905	0.558	2	126.5905	0.311	2	126.5905	0.311	2	126.5905	0.311	2	126.5905	0.311	2	126.5905	0.311	2
930	890	921	0:SP2_SP3_SP3	C	As	Se	4:2:3:	3:3:3:3:	3:3:	As-4:Se-2:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(AsC[6a]3)(SeC[6a])(COO)	As(C[6a]C[6a]2)3(CSeC)	Se(C[6a]C[6a]2)(CAsC)	C(AsC[6a]3)(SeC[6a])(COO)	As(C[6a]C[6a]2)3(CSeC)	Se(C[6a]C[6a]2)(CAsC)	122.0670	0.000	1	122.0670	0.000	1	122.0670	0.000	1	122.0670	0.000	1	122.0670	0.000	1	122.0670	0.000	1
930	890	930	0:SP2_SP2_SP3	C	As	C	4:2:3:	3:3:3:3:	3:2:1:	As-4:Se-2:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C-3:O-2:O-1:	C(AsC[6a]3)(SeC[6a])(COO)	As(C[6a]C[6a]2)3(CSeC)	C(CAsSe)(OC)(O)	C(AsC[6a]3)(SeC[6a])(COO)	As(C[6a]C[6a]2)3(CSeC)	C(CAsSe)(OC)(O)	113.9080	0.000	1	113.9080	0.000	1	113.9080	0.000	1	113.9080	0.000	1	119.2505	57.085	2	119.2505	57.085	2
930	890	930	0:SP2_SP2_SP3	C	As	C	4:3:2:	3:3:3:3:	3:3:3:	As-4:C-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-3:	C(AsC[6a]3)(CCC)(CN)	As(C[6a]C[6a]2)3(CCC)	C(CAsC)(CCH)(CCO)	C(AsC[6a]3)(CCC)(CN)	As(C[6a]C[6a]2)3(CCC)	C(CAsC)(CCH)(CCO)	124.5930	0.000	1	124.5930	0.000	1	124.5930	0.000	1	124.5930	0.000	1	119.2505	57.085	2	119.2505	57.085	2
930	890	983	0:SP2_SP1_SP3	C	As	C	4:3:2:	3:3:3:3:	3:1:	As-4:C-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C-3:N-1:	C(AsC[6a]3)(CCC)(CN)	As(C[6a]C[6a]2)3(CCC)	C(CAsC)(N)	C(AsC[6a]3)(CCC)(CN)	As(C[6a]C[6a]2)3(CCC)	C(CAsC)(N)	115.5160	0.000	1	115.5160	0.000	1	115.5160	0.000	1	115.5160	0.000	1	116.3990	4.372	5	116.3990	4.372	5
930	890	983	0:SP2_SP1_SP3	C	As	C	4:4:2:	3:3:3:3:	3:1:	As-4:As-4:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C-3:N-1:	C(AsC[6a]3)2(CN)	As(C[6a]C[6a]2)3(CAsC)	C(CAs2)(N)	C(AsC[6a]3)2(CN)	As(C[6a]C[6a]2)3(CAsC)	C(CAs2)(N)	116.6197	2.346	4	116.6197	5.504	4	116.6197	5.504	4	116.6197	5.504	4	116.3990	4.372	5	116.3990	4.372	5
930	892	893	0:SP2_SP2_SP3	C	N	O	4:2:1:	4:4:4:3:	4:3:	N-4:O-2:O-1:	C-4:C-4:C-4:C-3:	B-4:C-3:	C(NC3)(OB)(O)	N(CC[6a]HH)(CH3)2(COO)	O(BC[6a]3)(CNO)	C(NC3)(OB)(O)	N(CC[6a]HH)(CH3)2(COO)	O(BC[6a]3)(CNO)	108.8460	0.000	1	108.8460	0.000	1	108.8460	0.000	1	108.8460	0.000	1	108.8460	0.000	1	108.8460	0.000	1
930	892	930	0:SP2_SP2_SP3	C	N	C	3:3:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-3:N-4:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]2)(NCHH)	N(CC[6a]C)(CC3)(H)2	C(C[6a]C[6a]2)2(CC[6a]N)	C(C[6a]C[6a]2)(CC[6a]2)(NCHH)	N(CC[6a]C)(CC3)(H)2	C(C[6a]C[6a]2)2(CC[6a]N)	116.5780	0.000	1	116.5780	0.000	1	116.5780	0.000	1	116.5780	0.000	1	120.4806	32.262	14	120.4806	32.262	14
930	892	930	0:SP2_SP2_SP3	C	N	C	3:4:1:	3:1:1:1:	3:3:1:	C-3:N-4:H-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C-3:H-1:	C(CC[6a]H)(NH3)(H)	N(CCH)(H)3	C(C[6a]C[6a]2)(CHN)(H)	C(CC[6a]H)(NH3)(H)	N(CCH)(H)3	C(C[6a]C[6a]2)(CHN)(H)	115.5520	0.806	2	115.5520	0.650	2	115.5520	0.650	2	115.5520	0.650	2	120.4806	32.262	14	120.4806	32.262	14
930	892	930	0:SP2_SP2_SP3	C	N	C	4:3:1:	4:4:3:3:	3:3:1:	N-4:C-3:H-1:	C-4:C-4:C-3:C-3:	C-3:C-3:H-1:	C(NC3)(CCH)(H)	N(CCHH)2(CCH)2	C(CCH)(CHN)(H)	C(NC3)(CCH)(H)	N(CCHH)2(CCH)2	C(CCH)(CHN)(H)	124.8245	3.396	2	124.8245	11.534	2	124.8245	11.534	2	124.8245	11.534	2	120.4806	32.262	14	120.4806	32.262	14
930	892	930	0:SP2_SP2_SP3	C	N	C	4:3:1:	4:4:4:3:	3:1:1:	N-4:C-3:H-1:	C-4:C-4:C-4:C-3:	C-3:H-1:H-1:	C(NC3)(CHH)(H)	N(CH3)3(CCH)	C(CHN)(H)2	C(NC3)(CHH)(H)	N(CH3)3(CCH)	C(CHN)(H)2	124.0730	2.371	4	124.0730	5.624	4	124.0730	5.624	4	124.0730	5.624	4	120.4806	32.262	14	120.4806	32.262	14
930	892	930	0:SP2_SP2_SP3	C	N	C	4:3:1:	4:4:4:3:	3:3:1:	N-4:C-3:H-1:	C-4:C-4:C-4:C-3:	C-3:C-3:H-1:	C(NC3)(CCH)(H)	N(CCHH)3(CCH)	C(CCH)(CHN)(H)	C(NC3)(CCH)(H)	N(CCHH)3(CCH)	C(CCH)(CHN)(H)	114.7270	0.000	1	114.7270	0.000	1	119.9725	55.031	2	119.9725	55.031	2	120.4806	32.262	14	120.4806	32.262	14
930	892	930	0:SP2_SP2_SP3	C	N	C	4:3:1:	4:4:4:3:	3:3:1:	N-4:C-3:H-1:	C-4:C-4:C-4:C-3:	C-3:C-3:H-1:	C(NC3)(CCH)(H)	N(CCHH)3(CCH)	C(CHN)(COO)(H)	C(NC3)(CCH)(H)	N(CCHH)3(CCH)	C(CHN)(COO)(H)	125.2180	0.000	1	125.2180	0.000	1	119.9725	55.031	2	119.9725	55.031	2	120.4806	32.262	14	120.4806	32.262	14
930	892	930	0:SP2_SP2_SP3	C	N	C	4:3:2:	4:4:4:3:	3:2:1:	N-4:C-3:N-2:	C-4:C-4:C-4:C-3:	C-3:O-2:O-1:	C(NC3)(COO)(NN)	N(CCHH)3(CCN)	C(CNN)(OC)(O)	C(NC3)(COO)(NN)	N(CCHH)3(CCN)	C(CNN)(OC)(O)	124.7660	0.000	1	124.7660	0.000	1	124.7660	0.000	1	124.7660	0.000	1	120.4806	32.262	14	120.4806	32.262	14
930	892	930	0:SP2_SP2_SP3	C	N	C	4:4:3:	3:1:1:1:	3:2:1:	C-4:N-4:C-3:	C-3:H-1:H-1:H-1:	C-3:O-2:O-1:	C(CCHH)(NH3)(COO)	N(CCC)(H)3	C(CCN)(OH)(O)	C(CCHH)(NH3)(COO)	N(CCC)(H)3	C(CCN)(OH)(O)	107.7050	0.000	1	107.7050	0.000	1	107.7050	0.000	1	107.7050	0.000	1	120.4806	32.262	14	120.4806	32.262	14
930	892	930	0:SP2_SP2_SP3	C	N	C	4:4:3:	3:4:4:3:	4:3:1:	N-4:C-4:C-3:	C[6a]-3:C-4:C-4:C-3:	B-4:C-3:H-1:	C(NC[6a]CC)(CCHH)(CBH)	N(C[6a]C[6a]2)(CH3)2(CCC)	C(BC[6a]3)(CCN)(H)	C(NC[6a]CC)(CCHH)(CBH)	N(C[6a]C[6a]2)(CH3)2(CCC)	C(BC[6a]3)(CCN)(H)	120.6890	0.000	1	120.6890	0.000	1	120.6890	0.000	1	120.6890	0.000	1	120.4806	32.262	14	120.4806	32.262	14
930	892	941	0:SP2_SP2_SP3	C	N	N	4:2:1:	4:3:1:1:	4:3:	N-4:N-2:O-1:	C-4:C-3:H-1:H-1:	C-4:C-3:	C(NCHH)(NC)(O)	N(CCCH)(CNO)(H)2	N(CCHH)(CNO)	C(NCHH)(NC)(O)	N(CCCH)(CNO)(H)2	N(CCHH)(CNO)	111.6110	0.000	1	111.6110	0.000	1	111.6110	0.000	1	111.6110	0.000	1	114.8950	21.569	2	114.8950	21.569	2
930	892	941	0:SP2_SP2_SP3	C	N	N	4:3:2:	4:4:4:3:	3:1:	N-4:C-3:N-2:	C-4:C-4:C-4:C-3:	C-3:N-1:	C(NC3)(COO)(NN)	N(CCHH)3(CCN)	N(CCN)(N)	C(NC3)(COO)(NN)	N(CCHH)3(CCN)	N(CCN)(N)	118.1790	0.000	1	118.1790	0.000	1	118.1790	0.000	1	118.1790	0.000	1	114.8950	21.569	2	114.8950	21.569	2
930	892	951	0:SP2_SP-NON_SP3	C	N	H	3:4:1:	3:1:1:1:	3:	C-3:N-4:H-1:	C-3:H-1:H-1:H-1:	C-3:	C(CC[6a]H)(NH3)(H)	N(CCH)(H)3	H(CCN)	C(CC[6a]H)(NH3)(H)	N(CCH)(H)3	H(CCN)	122.2150	0.454	2	122.2150	0.206	2	122.2150	0.206	2	122.2150	0.206	2	113.2444	41.346	49	113.2444	41.346	49
930	892	951	0:SP2_SP-NON_SP3	C	N	H	3:4:1:	3:4:1:1:	3:	C[6a]-3:N-4:H-1:	C-3:C-4:H-1:H-1:	C-3:	C(C[6a]C[6a]2)(NCHH)(H)	N(CC[6a]H)(CCHH)(H)2	H(CC[6a]N)	C(C[6a]C[6a]2)(NCHH)(H)	N(CC[6a]H)(CCHH)(H)2	H(CC[6a]N)	112.8680	7.624	2	112.8680	58.126	2	112.8680	58.126	2	112.8680	58.126	2	113.2444	41.346	49	113.2444	41.346	49
930	892	951	0:SP2_SP-NON_SP3	C	N	H	3:4:1:	4:3:1:1:	3:	C[6a]-3:N-4:H-1:	C-4:C-3:H-1:H-1:	C-3:	C(C[6a]C[6a]2)(NCHH)(H)	N(CC[6a]CH)(CC[6a]H)(H)2	H(CC[6a]N)	C(C[6a]C[6a]2)(NCHH)(H)	N(CC[6a]CH)(CC[6a]H)(H)2	H(CC[6a]N)	112.0130	0.000	1	112.0130	0.000	1	112.0130	0.000	1	112.0130	0.000	1	113.2444	41.346	49	113.2444	41.346	49
930	892	951	0:SP2_SP-NON_SP3	C	N	H	4:1:1:	3:1:1:1:	3:	N-4:H-1:H-1:	C-3:H-1:H-1:H-1:	C-3:	C(NH3)(H)2	N(CHH)(H)3	H(CHN)	C(NH3)(H)2	N(CHH)(H)3	H(CHN)	111.6095	3.079	2	111.6095	9.483	2	111.6095	9.483	2	111.6095	9.483	2	113.2444	41.346	49	113.2444	41.346	49
930	892	951	0:SP2_SP-NON_SP3	C	N	H	4:1:1:	4:4:3:1:	3:	N-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-3:	C(NCCH)(H)2	N(CCHH)2(CHH)(H)	H(CHN)	C(NCCH)(H)2	N(CCHH)2(CHH)(H)	H(CHN)	111.2900	0.041	2	111.2900	0.002	2	111.2900	0.002	2	111.2900	0.002	2	113.2444	41.346	49	113.2444	41.346	49
930	892	951	0:SP2_SP-NON_SP3	C	N	H	4:1:1:	4:4:3:3:	3:	N-4:H-1:H-1:	C-4:C-4:C-3:C-3:	C-3:	C(NC3)(H)2	N(CCHH)2(CHH)2	H(CHN)	C(NC3)(H)2	N(CCHH)2(CHH)2	H(CHN)	111.2185	0.057	2	111.2185	0.003	2	111.2185	0.003	2	111.2185	0.003	2	113.2444	41.346	49	113.2444	41.346	49
930	892	951	0:SP2_SP-NON_SP3	C	N	H	4:1:1:	4:4:4:3:	3:	N-4:H-1:H-1:	C-4:C-4:C-4:C-3:	C-3:	C(NC3)(H)2	N(CCHH)3(CHH)	H(CHN)	C(NC3)(H)2	N(CCHH)3(CHH)	H(CHN)	110.4177	2.020	11	110.4177	4.080	11	110.5872	3.843	13	110.5872	3.843	13	113.2444	41.346	49	113.2444	41.346	49
930	892	951	0:SP2_SP-NON_SP3	C	N	H	4:1:1:	4:4:4:3:	3:	N-4:H-1:H-1:	C-4:C-4:C-4:C-3:	C-3:	C(NC3)(H)2	N(CClHH)(CCHH)(CH3)(CHH)	H(CHN)	C(NC3)(H)2	N(CClHH)(CCHH)(CH3)(CHH)	H(CHN)	111.5195	1.805	2	111.5195	3.259	2	110.5872	3.843	13	110.5872	3.843	13	113.2444	41.346	49	113.2444	41.346	49
930	892	951	0:SP2_SP-NON_SP3	C	N	H	4:3:1:	4:4:3:3:	3:	N-4:C-3:H-1:	C-4:C-4:C-3:C-3:	C-3:	C(NC3)(CCH)(H)	N(CCHH)2(CCH)2	H(CCN)	C(NC3)(CCH)(H)	N(CCHH)2(CCH)2	H(CCN)	117.5575	1.661	2	117.5575	2.759	2	117.5575	2.759	2	117.5575	2.759	2	113.2444	41.346	49	113.2444	41.346	49
930	892	951	0:SP2_SP-NON_SP3	C	N	H	4:3:1:	4:4:4:3:	3:	N-4:C-3:H-1:	C-4:C-4:C-4:C-3:	C-3:	C(NC3)(CCH)(H)	N(CCHH)3(CCH)	H(CCN)	C(NC3)(CCH)(H)	N(CCHH)3(CCH)	H(CCN)	113.9470	6.385	2	113.9470	40.770	2	116.6363	13.340	6	116.6363	13.340	6	113.2444	41.346	49	113.2444	41.346	49
930	892	951	0:SP2_SP-NON_SP3	C	N	H	4:3:1:	4:4:4:3:	3:	N-4:C-3:H-1:	C-4:C-4:C-4:C-3:	C-3:	C(NC3)(CHH)(H)	N(CH3)3(CCH)	H(CCN)	C(NC3)(CHH)(H)	N(CH3)3(CCH)	H(CCN)	117.9810	1.188	4	117.9810	1.411	4	116.6363	13.340	6	116.6363	13.340	6	113.2444	41.346	49	113.2444	41.346	49
930	892	951	0:SP2_SP-NON_SP3	C	N	H	4:4:1:	3:1:1:1:	3:	C-4:N-4:H-1:	C-3:H-1:H-1:H-1:	C-3:	C(CCHH)(NH3)(H)	N(CCH)(H)3	H(CCN)	C(CCHH)(NH3)(H)	N(CCH)(H)3	H(CCN)	115.6600	0.000	1	115.6600	0.000	1	115.6600	0.000	1	118.4885	16.001	2	113.2444	41.346	49	113.2444	41.346	49
930	892	951	0:SP2_SP-NON_SP3	C	N	H	4:4:1:	3:1:1:1:	3:	C[6]-4:N-4:H-1:	C-3:H-1:H-1:H-1:	C-3:	C(C[6]C[6,6]C[6]C)(NH3)(H)	N(CC[6]H)(H)3	H(CC[6]N)	C(C[6]C[6,6]C[6]C)(NH3)(H)	N(CC[6]H)(H)3	H(CC[6]N)	121.3170	0.000	1	121.3170	0.000	1	121.3170	0.000	1	118.4885	16.001	2	113.2444	41.346	49	113.2444	41.346	49
930	892	951	0:SP2_SP-NON_SP3	C	N	H	4:4:1:	4:3:1:1:	3:	C-4:N-4:H-1:	C-4:C-3:H-1:H-1:	C-3:	C(CHHN)(NCHH)(H)	N(CCHH)(CCH)(H)2	H(CCN)	C(CHHN)(NCHH)(H)	N(CCHH)(CCH)(H)2	H(CCN)	110.7443	11.722	3	110.7443	137.402	3	109.7403	95.634	4	109.7403	95.634	4	113.2444	41.346	49	113.2444	41.346	49
930	892	951	0:SP2_SP-NON_SP3	C	N	H	4:4:1:	4:3:1:1:	3:	C-4:N-4:H-1:	C-4:C-3:H-1:H-1:	C-3:	C(CHHN)(NCHH)(H)	N(CC[6a]HH)(CCH)(H)2	H(CCN)	C(CHHN)(NCHH)(H)	N(CC[6a]HH)(CCH)(H)2	H(CCN)	106.7280	0.000	1	106.7280	0.000	1	109.7403	95.634	4	109.7403	95.634	4	113.2444	41.346	49	113.2444	41.346	49
930	892	951	0:SP2_SP-NON_SP3	C	N	H	4:4:1:	4:4:3:3:	3:	C-4:N-4:H-1:	C-4:C-4:C-3:C-3:	C-3:	C(CCHH)(NC3)(H)	N(CCHH)2(CCH)2	H(CCN)	C(CCHH)(NC3)(H)	N(CCHH)2(CCH)2	H(CCN)	97.3460	9.919	2	97.3460	98.392	2	108.8812	210.216	4	108.8812	210.216	4	113.2444	41.346	49	113.2444	41.346	49
930	892	951	0:SP2_SP-NON_SP3	C	N	H	4:4:1:	4:4:3:3:	3:	C-4:N-4:H-1:	C-4:C-4:C-3:C-3:	C-3:	C(CH3)(NC3)(H)	N(CCHH)2(CCH)2	H(CCN)	C(CH3)(NC3)(H)	N(CCHH)2(CCH)2	H(CCN)	120.4165	0.086	2	120.4165	0.007	2	108.8812	210.216	4	108.8812	210.216	4	113.2444	41.346	49	113.2444	41.346	49
930	892	951	0:SP2_SP-NON_SP3	C	N	H	4:4:1:	4:4:4:3:	3:	C-4:N-4:H-1:	C-4:C-4:C-4:C-3:	C-3:	C(CCHH)(NC3)(H)	N(CCHH)2(CH3)(CCH)	H(CCN)	C(CCHH)(NC3)(H)	N(CCHH)2(CH3)(CCH)	H(CCN)	111.5400	0.000	1	111.5400	0.000	1	115.8192	45.007	6	115.8192	45.007	6	113.2444	41.346	49	113.2444	41.346	49
930	892	951	0:SP2_SP-NON_SP3	C	N	H	4:4:1:	4:4:4:3:	3:	C-4:N-4:H-1:	C-4:C-4:C-4:C-3:	C-3:	C(CCHH)(NC3)(H)	N(CCHH)3(CCH)	H(CCN)	C(CCHH)(NC3)(H)	N(CCHH)3(CCH)	H(CCN)	113.5120	7.994	3	113.5120	63.911	3	115.8192	45.007	6	115.8192	45.007	6	113.2444	41.346	49	113.2444	41.346	49
930	892	951	0:SP2_SP-NON_SP3	C	N	H	4:4:1:	4:4:4:3:	3:	C-4:N-4:H-1:	C-4:C-4:C-4:C-3:	C-3:	C(CH3)(NC3)(H)	N(CCHH)3(CCH)	H(CCN)	C(CH3)(NC3)(H)	N(CCHH)3(CCH)	H(CCN)	121.4195	0.455	2	121.4195	0.207	2	115.8192	45.007	6	115.8192	45.007	6	113.2444	41.346	49	113.2444	41.346	49
930	892	951	0:SP2_SP-NON_SP3	C	N	H	4:4:1:	5:4:3:1:	3:	N-4:P-4:H-1:	C-5:C-4:C-3:H-1:	C-3:	C(NCCH)(PO3)(H)	N(CH3P)(CHHP)(CHP)(H)	H(CNP)	C(NCCH)(PO3)(H)	N(CH3P)(CHHP)(CHP)(H)	H(CNP)	119.6170	0.000	1	119.6170	0.000	1	119.6170	0.000	1	119.6170	0.000	1	113.2444	41.346	49	113.2444	41.346	49
930	892	956	0:SP2_SP2_SP3	C	N	N	4:3:1:	4:4:3:1:	4:4:3:	N-4:N-3:O-1:	C-4:C-4:C-3:H-1:	C-4:C-4:C-3:	C(NCCH)(NCC)(O)	N(CCHH)2(CNO)(H)	N(CCHH)2(CNO)	C(NCCH)(NCC)(O)	N(CCHH)2(CNO)(H)	N(CCHH)2(CNO)	117.2780	0.000	1	117.2780	0.000	1	117.2780	0.000	1	117.2780	0.000	1	117.5500	0.148	2	117.5500	0.148	2
930	892	956	0:SP2_SP2_SP3	C	N	N	4:3:2:	4:4:3:1:	4:4:3:	N-4:N-3:O-2:	C-4:C-4:C-3:H-1:	C-4:C-4:C-3:	C(NCCH)(NCC)(OW)	N(CCHH)2(CNO)(H)	N(CCHH)2(CNO)	C(NCCH)(NCC)(OW)	N(CCHH)2(CNO)(H)	N(CCHH)2(CNO)	117.8220	0.000	1	117.8220	0.000	1	117.8220	0.000	1	117.8220	0.000	1	117.5500	0.148	2	117.5500	0.148	2
930	892	983	0:SP2_SP1_SP3	C	N	C	3:4:2:	3:4:4:4:	3:3:	C[6a]-3:N-4:C-2:	C-3:C-4:C-4:C-4:	C-3:C-3:	C(C[6a]C[6a]2)(NC3)(CC)	N(CC[6a]C)(CCHH)3	C(CC[6a]2)(CC[6a]N)	C(C[6a]C[6a]2)(NC3)(CC)	N(CC[6a]C)(CCHH)3	C(CC[6a]2)(CC[6a]N)	119.8620	0.000	1	119.8620	0.000	1	119.8620	0.000	1	119.8620	0.000	1	119.8620	0.000	1	119.8620	0.000	1
930	892	992	0:SP2_SP3_SP3	C	N	P	4:4:1:	5:4:3:1:	3:2:1:1:	N-4:P-4:H-1:	C-5:C-4:C-3:H-1:	C-3:O-2:O-1:O-1:	C(NCCH)(PO3)(H)	N(CH3P)(CHHP)(CHP)(H)	P(CHN)(OH)(O)2	C(NCCH)(PO3)(H)	N(CH3P)(CHHP)(CHP)(H)	P(CHN)(OH)(O)2	120.7450	0.000	1	120.7450	0.000	1	120.7450	0.000	1	120.7450	0.000	1	120.7450	0.000	1	120.7450	0.000	1
930	893	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:3:	2:3:	O-2:O-2:O-1:	C[6a]-3:C-3:	N-2:C-3:	C(OC[6a])(ON)(O)	O(C[6a]C[6a]2)(COO)	O(NC[6])(COO)	C(OC[6a])(ON)(O)	O(C[6a]C[6a]2)(COO)	O(NC[6])(COO)	104.8020	0.008	2	104.8020	0.000	2	104.8020	0.000	2	104.8020	0.000	2	109.3211	29.480	212	109.3211	29.480	212
930	893	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:3:	3:2:	O-2:O-2:O-1:	C[6a]-3:C-3:	C-3:N-2:	C(OC[6a])(ON)(O)	O(C[6a]C[6a]2)(COO)	O(COO)(NC)	C(OC[6a])(ON)(O)	O(C[6a]C[6a]2)(COO)	O(COO)(NC)	104.3505	0.255	2	104.3505	0.065	2	104.3505	0.065	2	104.3505	0.065	2	109.3211	29.480	212	109.3211	29.480	212
930	893	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:3:	3:3:	O-2:O-2:H-1:	C[6a]-3:C-3:	C[6a]-3:C-3:	C(OC[6a])2(H)	O(C[6a]C[6a]2)(CHO)	O(C[6a]C[6a]2)(CHO)	C(OC[6a])2(H)	O(C[6a]C[6a]2)(CHO)	O(C[6a]C[6a]2)(CHO)	112.5900	0.030	2	112.5900	0.001	2	112.5900	0.001	2	106.2958	8.404	13	109.3211	29.480	212	109.3211	29.480	212
930	893	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:3:	3:3:	O-2:O-2:O-1:	C[5a]-3:C-3:	C[6a]-3:C-3:	C(OC[5a])(OC[6a])(O)	O(C[5a]C[5a]N[5a])(COO)	O(C[6a]C[6a]2)(COO)	C(OC[5a])(OC[6a])(O)	O(C[5a]C[5a]N[5a])(COO)	O(C[6a]C[6a]2)(COO)	105.6815	0.260	4	105.6815	0.068	4	105.6815	0.068	4	106.2958	8.404	13	109.3211	29.480	212	109.3211	29.480	212
930	893	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:3:	3:3:	O-2:O-2:O-1:	C[6a]-3:C-3:	C-3:N-3:	C(OC[6a])(ON)(O)	O(C[6a]C[6a]2)(COO)	O(COO)(NCC)	C(OC[6a])(ON)(O)	O(C[6a]C[6a]2)(COO)	O(COO)(NCC)	102.9480	0.000	1	102.9480	0.000	1	102.9480	0.000	1	106.2958	8.404	13	109.3211	29.480	212	109.3211	29.480	212
930	893	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:3:	3:3:	O-2:O-2:O-1:	C[6a]-3:C-3:	C[6a]-3:C-3:	C(OC[6a])2(O)	O(C[6a]C[6a]2)(COO)	O(C[6a]C[6a]2)(COO)	C(OC[6a])2(O)	O(C[6a]C[6a]2)(COO)	O(C[6a]C[6a]2)(COO)	105.2644	0.426	5	105.2644	0.182	5	105.2644	0.182	5	106.2958	8.404	13	109.3211	29.480	212	109.3211	29.480	212
930	893	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:3:	3:3:	O-2:O-2:O-1:	N[5]-3:C-3:	N[5]-3:C-3:	C(ON[5])2(O)	O(N[5]C[5]2)(COO)	O(N[5]C[5]2)(COO)	C(ON[5])2(O)	O(N[5]C[5]2)(COO)	O(N[5]C[5]2)(COO)	104.6700	0.000	1	104.6700	0.000	1	104.6700	0.000	1	106.2958	8.404	13	109.3211	29.480	212	109.3211	29.480	212
930	893	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:3:	4:3:	O-2:O-2:O-1:	C-3:C-3:	C-4:C-3:	C(OC)2(O)	O(CCC)(COO)	O(CH3)(COO)	C(OC)2(O)	O(CCC)(COO)	O(CH3)(COO)	107.1030	0.000	1	107.1030	0.000	1	106.1713	0.546	4	106.3124	1.009	59	109.3211	29.480	212	109.3211	29.480	212
930	893	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:3:	4:3:	O-2:O-2:O-1:	C-3:C-3:	C-4:C-3:	C(OC)2(O)	O(CCN)(COO)	O(CH3)(COO)	C(OC)2(O)	O(CCN)(COO)	O(CH3)(COO)	105.5785	0.049	2	105.5785	0.002	2	106.1713	0.546	4	106.3124	1.009	59	109.3211	29.480	212	109.3211	29.480	212
930	893	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:3:	4:3:	O-2:O-2:O-1:	C-3:C-3:	C-4:C-3:	C(OC)2(O)	O(CN[5]O)(COO)	O(CC3)(COO)	C(OC)2(O)	O(CN[5]O)(COO)	O(CC3)(COO)	106.4250	0.000	1	106.4250	0.000	1	106.1713	0.546	4	106.3124	1.009	59	109.3211	29.480	212	109.3211	29.480	212
930	893	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:3:	4:3:	O-2:O-2:O-1:	C[5a]-3:C-3:	C-4:C-3:	C(OC[5a])(OC)(O)	O(C[5a]C[5a]N[5a])(COO)	O(CC3)(COO)	C(OC[5a])(OC)(O)	O(C[5a]C[5a]N[5a])(COO)	O(CC3)(COO)	105.9010	0.468	2	105.9010	0.219	2	105.9010	0.219	2	106.3124	1.009	59	109.3211	29.480	212	109.3211	29.480	212
930	893	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:3:	4:3:	O-2:O-2:O-1:	C[6]-3:C-3:	C-4:C-3:	C(OC[6])(OC)(O)	O(C[6]C[6]2)(COO)	O(CC3)(COO)	C(OC[6])(OC)(O)	O(C[6]C[6]2)(COO)	O(CC3)(COO)	106.9430	0.000	1	106.9430	0.000	1	106.5550	0.301	2	106.3124	1.009	59	109.3211	29.480	212	109.3211	29.480	212
930	893	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:3:	4:3:	O-2:O-2:O-1:	C[6]-3:C-3:	C-4:C-3:	C(OC[6])(OC)(O)	O(C[6]C[6]2)(COO)	O(CCHH)(COO)	C(OC[6])(OC)(O)	O(C[6]C[6]2)(COO)	O(CCHH)(COO)	106.1670	0.000	1	106.1670	0.000	1	106.5550	0.301	2	106.3124	1.009	59	109.3211	29.480	212	109.3211	29.480	212
930	893	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:3:	4:3:	O-2:O-2:O-1:	C[6a]-3:C-3:	C-4:C-3:	C(OC[6a])(OC)(O)	O(C[6a]C[6a,6a]C[6a])(COO)	O(CC3)(COO)	C(OC[6a])(OC)(O)	O(C[6a]C[6a,6a]C[6a])(COO)	O(CC3)(COO)	105.6480	0.112	2	105.6480	0.012	2	106.2679	0.526	36	106.3124	1.009	59	109.3211	29.480	212	109.3211	29.480	212
930	893	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:3:	4:3:	O-2:O-2:O-1:	C[6a]-3:C-3:	C-4:C-3:	C(OC[6a])(OC)(O)	O(C[6a]C[6a,6a]C[6a])(COO)	O(CH3)(COO)	C(OC[6a])(OC)(O)	O(C[6a]C[6a,6a]C[6a])(COO)	O(CH3)(COO)	105.9530	0.312	3	105.9530	0.098	3	106.2679	0.526	36	106.3124	1.009	59	109.3211	29.480	212	109.3211	29.480	212
930	893	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:3:	4:3:	O-2:O-2:O-1:	C[6a]-3:C-3:	C-4:C-3:	C(OC[6a])(OC)(O)	O(C[6a]C[6a]2)(COO)	O(CC3)(COO)	C(OC[6a])(OC)(O)	O(C[6a]C[6a]2)(COO)	O(CC3)(COO)	106.4082	1.008	4	106.4082	1.017	4	106.2679	0.526	36	106.3124	1.009	59	109.3211	29.480	212	109.3211	29.480	212
930	893	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:3:	4:3:	O-2:O-2:O-1:	C[6a]-3:C-3:	C-4:C-3:	C(OC[6a])(OC)(O)	O(C[6a]C[6a]2)(COO)	O(CCHH)(COO)	C(OC[6a])(OC)(O)	O(C[6a]C[6a]2)(COO)	O(CCHH)(COO)	106.4081	0.767	17	106.4081	0.588	17	106.2679	0.526	36	106.3124	1.009	59	109.3211	29.480	212	109.3211	29.480	212
930	893	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:3:	4:3:	O-2:O-2:O-1:	C[6a]-3:C-3:	C-4:C-3:	C(OC[6a])(OC)(O)	O(C[6a]C[6a]2)(COO)	O(CC[5a]HH)(COO)	C(OC[6a])(OC)(O)	O(C[6a]C[6a]2)(COO)	O(CC[5a]HH)(COO)	107.1000	0.000	1	107.1000	0.000	1	106.2679	0.526	36	106.3124	1.009	59	109.3211	29.480	212	109.3211	29.480	212
930	893	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:3:	4:3:	O-2:O-2:O-1:	C[6a]-3:C-3:	C-4:C-3:	C(OC[6a])(OC)(O)	O(C[6a]C[6a]2)(COO)	O(CC[6a]HH)(COO)	C(OC[6a])(OC)(O)	O(C[6a]C[6a]2)(COO)	O(CC[6a]HH)(COO)	105.6185	0.118	2	105.6185	0.014	2	106.2679	0.526	36	106.3124	1.009	59	109.3211	29.480	212	109.3211	29.480	212
930	893	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:3:	4:3:	O-2:O-2:O-1:	C[6a]-3:C-3:	C-4:C-3:	C(OC[6a])(OC)(O)	O(C[6a]C[6a]2)(COO)	O(CH3)(COO)	C(OC[6a])(OC)(O)	O(C[6a]C[6a]2)(COO)	O(CH3)(COO)	106.8963	0.251	3	106.8963	0.063	3	106.2679	0.526	36	106.3124	1.009	59	109.3211	29.480	212	109.3211	29.480	212
930	893	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:3:	4:3:	O-2:O-2:O-1:	C[6a]-3:C-3:	C-4:C-3:	C(OC[6a])(OC)(O)	O(C[6a]C[6a]N[6a])(COO)	O(CC3)(COO)	C(OC[6a])(OC)(O)	O(C[6a]C[6a]N[6a])(COO)	O(CC3)(COO)	105.7228	0.266	4	105.7228	0.071	4	106.2679	0.526	36	106.3124	1.009	59	109.3211	29.480	212	109.3211	29.480	212
930	893	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:3:	4:3:	O-2:O-2:O-1:	C[6a]-3:C-3:	C[6]-4:C-3:	C(OC[6a])(OC[6])(O)	O(C[6a]C[6a]2)(COO)	O(C[6]C[6]2H)(COO)	C(OC[6a])(OC[6])(O)	O(C[6a]C[6a]2)(COO)	O(C[6]C[6]2H)(COO)	107.1376	1.574	10	107.1376	2.476	10	107.1376	2.476	10	106.3124	1.009	59	109.3211	29.480	212	109.3211	29.480	212
930	893	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:3:	4:3:	O-2:O-2:O-1:	N[5]-3:C-3:	C-4:C-3:	C(ON[5])(OC)(O)	O(N[5]C[5]2)(COO)	O(CC[6a]HH)(COO)	C(ON[5])(OC)(O)	O(N[5]C[5]2)(COO)	O(CC[6a]HH)(COO)	105.4795	1.023	2	105.4795	1.047	2	105.1180	0.530	4	106.3124	1.009	59	109.3211	29.480	212	109.3211	29.480	212
930	893	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:3:	4:3:	O-2:O-2:O-1:	N[5]-3:C-3:	C-4:C-3:	C(ON[5])(OC)(O)	O(N[5]C[5]2)(COO)	O(CH3)(COO)	C(ON[5])(OC)(O)	O(N[5]C[5]2)(COO)	O(CH3)(COO)	104.7565	0.138	2	104.7565	0.019	2	105.1180	0.530	4	106.3124	1.009	59	109.3211	29.480	212	109.3211	29.480	212
930	893	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	3:3:	4:3:	O-2:O-2:S-1:	C[6a]-3:C-3:	C[5]-4:C-3:	C(OC[6a])(OC[5])(S)	O(C[6a]C[6a]2)(COS)	O(C[5]C[5]2H)(COS)	C(OC[6a])(OC[5])(S)	O(C[6a]C[6a]2)(COS)	O(C[5]C[5]2H)(COS)	105.3440	0.000	1	105.3440	0.000	1	105.3440	0.000	1	106.3124	1.009	59	109.3211	29.480	212	109.3211	29.480	212
930	893	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	4:3:	3:2:	O-2:O-2:O-1:	C-4:C-3:	C-3:N-2:	C(OC)(ON)(O)	O(CC3)(COO)	O(COO)(NC)	C(OC)(ON)(O)	O(CC3)(COO)	O(COO)(NC)	103.4120	0.000	1	103.4120	0.000	1	104.6724	1.095	5	104.6724	1.095	5	109.3211	29.480	212	109.3211	29.480	212
930	893	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	4:3:	3:2:	O-2:O-2:O-1:	C-4:C-3:	C-3:N-2:	C(OC)(ON)(O)	O(CC[6a]HH)(COO)	O(COO)(NC)	C(OC)(ON)(O)	O(CC[6a]HH)(COO)	O(COO)(NC)	104.9875	0.893	4	104.9875	0.797	4	104.6724	1.095	5	104.6724	1.095	5	109.3211	29.480	212	109.3211	29.480	212
930	893	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	4:3:	3:3:	O-2:O-2:O-1:	C[6,6]-4:C-3:	C[6a]-3:C-3:	C(OC[6,6])(OC[6a])(O)	O(C[6,6]C[3x6]2H)(COO)	O(C[6a]C[6a]2)(COO)	C(OC[6,6])(OC[6a])(O)	O(C[6,6]C[3x6]2H)(COO)	O(C[6a]C[6a]2)(COO)	105.6050	0.000	1	105.6050	0.000	1	105.6050	0.000	1	107.8908	17.513	5	109.3211	29.480	212	109.3211	29.480	212
930	893	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	4:3:	3:3:	O-2:O-2:O-1:	C[6]-4:C-3:	N[5]-3:C-3:	C(OC[6])(ON[5])(O)	O(C[6]C[6]2H)(COO)	O(N[5]C[5]2)(COO)	C(OC[6])(ON[5])(O)	O(C[6]C[6]2H)(COO)	O(N[5]C[5]2)(COO)	104.1120	0.000	1	104.1120	0.000	1	104.1120	0.000	1	107.8908	17.513	5	109.3211	29.480	212	109.3211	29.480	212
930	893	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	4:3:	3:3:	O-2:O-2:S-1:	C[3x6]-4:C-3:	C[6a]-3:C-3:	C(OC[3x6])(OC[6a])(S)	O(C[3x6]C[6,6,6a]3)(COS)	O(C[6a]C[6a]2)(COS)	C(OC[3x6])(OC[6a])(S)	O(C[3x6]C[6,6,6a]3)(COS)	O(C[6a]C[6a]2)(COS)	112.4380	0.113	2	112.4380	0.013	2	112.4380	0.013	2	107.8908	17.513	5	109.3211	29.480	212	109.3211	29.480	212
930	893	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	4:3:	3:3:	O-2:O-2:S-1:	C[6,6]-4:C-3:	C[6a]-3:C-3:	C(OC[6,6])(OC[6a])(S)	O(C[6,6]C[3x6]2H)(COS)	O(C[6a]C[6a]2)(COS)	C(OC[6,6])(OC[6a])(S)	O(C[6,6]C[3x6]2H)(COS)	O(C[6a]C[6a]2)(COS)	104.8610	0.000	1	104.8610	0.000	1	104.8610	0.000	1	107.8908	17.513	5	109.3211	29.480	212	109.3211	29.480	212
930	893	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	4:3:	4:3:	O-2:O-2:H-1:	B-4:C-3:	B-4:C-3:	C(OB)2(H)	O(BC[6a]3)(CHO)	O(BC[6a]3)(CHO)	C(OB)2(H)	O(BC[6a]3)(CHO)	O(BC[6a]3)(CHO)	120.2090	0.000	1	120.2090	0.000	1	120.2090	0.000	1	108.0841	12.039	78	109.3211	29.480	212	109.3211	29.480	212
930	893	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	4:3:	4:3:	O-2:O-2:H-1:	B-4:C-3:	Si-4:C-3:	C(OSi)(OB)(H)	O(BC[6a]3)(CHO)	O(SiC3)(CHO)	C(OSi)(OB)(H)	O(BC[6a]3)(CHO)	O(SiC3)(CHO)	122.4750	0.000	1	122.4750	0.000	1	122.4750	0.000	1	108.0841	12.039	78	109.3211	29.480	212	109.3211	29.480	212
930	893	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	4:3:	4:3:	O-2:O-2:H-1:	B[6,6]-4:C-3:	B[6,6]-4:C-3:	C(OB[6,6])2(H)	O(B[6,6]C[6,6]2O)(CHO)	O(B[6,6]C[6,6]2O)(CHO)	C(OB[6,6])2(H)	O(B[6,6]C[6,6]2O)(CHO)	O(B[6,6]C[6,6]2O)(CHO)	121.4110	0.000	1	121.4110	0.000	1	121.4110	0.000	1	108.0841	12.039	78	109.3211	29.480	212	109.3211	29.480	212
930	893	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	4:3:	4:3:	O-2:O-2:H-1:	C-4:C-3:	C-4:C-3:	C(OC)2(H)	O(CC[5]HH)(CHO)	O(CH3)(CHO)	C(OC)2(H)	O(CC[5]HH)(CHO)	O(CH3)(CHO)	113.2020	0.000	1	113.2020	0.000	1	113.2020	0.000	1	108.0841	12.039	78	109.3211	29.480	212	109.3211	29.480	212
930	893	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	4:3:	4:3:	O-2:O-2:H-1:	C[4,6]-4:C-3:	C-4:C-3:	C(OC[4,6])(OC)(H)	O(C[4,6]C[3,4,6]C[4,6]C[6])(CHO)	O(CH3)(CHO)	C(OC[4,6])(OC)(H)	O(C[4,6]C[3,4,6]C[4,6]C[6])(CHO)	O(CH3)(CHO)	112.9655	1.862	2	112.9655	3.466	2	112.9655	3.466	2	108.0841	12.039	78	109.3211	29.480	212	109.3211	29.480	212
930	893	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	4:3:	4:3:	O-2:O-2:H-1:	C[5,6]-4:C-3:	C-4:C-3:	C(OC[5,6])(OC)(H)	O(C[5,6]C[5,6]2H)(CHO)	O(CH3)(CHO)	C(OC[5,6])(OC)(H)	O(C[5,6]C[5,6]2H)(CHO)	O(CH3)(CHO)	113.0860	0.000	1	113.0860	0.000	1	113.0860	0.000	1	108.0841	12.039	78	109.3211	29.480	212	109.3211	29.480	212
930	893	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	4:3:	4:3:	O-2:O-2:O-1:	C-4:C-3:	C-4:C-3:	C(OC)2(O)	O(CCCH)(COO)	O(CC3)(COO)	C(OC)2(O)	O(CCCH)(COO)	O(CC3)(COO)	106.3473	0.787	4	106.3473	0.620	4	107.4560	4.228	44	108.0841	12.039	78	109.3211	29.480	212	109.3211	29.480	212
930	893	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	4:3:	4:3:	O-2:O-2:O-1:	C-4:C-3:	C-4:C-3:	C(OC)2(O)	O(CCHH)(COO)	O(CC3)(COO)	C(OC)2(O)	O(CCHH)(COO)	O(CC3)(COO)	106.5120	0.000	1	106.5120	0.000	1	107.4560	4.228	44	108.0841	12.039	78	109.3211	29.480	212	109.3211	29.480	212
930	893	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	4:3:	4:3:	O-2:O-2:O-1:	C-4:C-3:	C-4:C-3:	C(OC)2(O)	O(CCHH)(COO)	O(CCHH)(COO)	C(OC)2(O)	O(CCHH)(COO)	O(CCHH)(COO)	108.6264	3.432	8	108.6264	11.782	8	107.4560	4.228	44	108.0841	12.039	78	109.3211	29.480	212	109.3211	29.480	212
930	893	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	4:3:	4:3:	O-2:O-2:O-1:	C-4:C-3:	C-4:C-3:	C(OC)2(O)	O(CCHH)(COO)	O(CCHO)(COO)	C(OC)2(O)	O(CCHH)(COO)	O(CCHO)(COO)	107.3550	0.160	2	107.3550	0.026	2	107.4560	4.228	44	108.0841	12.039	78	109.3211	29.480	212	109.3211	29.480	212
930	893	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	4:3:	4:3:	O-2:O-2:O-1:	C-4:C-3:	C-4:C-3:	C(OC)2(O)	O(CCHH)(COO)	O(CH3)(COO)	C(OC)2(O)	O(CCHH)(COO)	O(CH3)(COO)	106.0850	0.000	1	106.0850	0.000	1	107.4560	4.228	44	108.0841	12.039	78	109.3211	29.480	212	109.3211	29.480	212
930	893	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	4:3:	4:3:	O-2:O-2:O-1:	C-4:C-3:	C-4:C-3:	C(OC)2(O)	O(CC[3]CH)(COO)	O(CC3)(COO)	C(OC)2(O)	O(CC[3]CH)(COO)	O(CC3)(COO)	105.8720	0.000	1	105.8720	0.000	1	107.4560	4.228	44	108.0841	12.039	78	109.3211	29.480	212	109.3211	29.480	212
930	893	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	4:3:	4:3:	O-2:O-2:O-1:	C-4:C-3:	C-4:C-3:	C(OC)2(O)	O(CC[5]CH)(COO)	O(CC3)(COO)	C(OC)2(O)	O(CC[5]CH)(COO)	O(CC3)(COO)	106.8190	0.000	1	106.8190	0.000	1	107.4560	4.228	44	108.0841	12.039	78	109.3211	29.480	212	109.3211	29.480	212
930	893	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	4:3:	4:3:	O-2:O-2:O-1:	C-4:C-3:	C-4:C-3:	C(OC)2(O)	O(CC[5]HH)(COO)	O(CC3)(COO)	C(OC)2(O)	O(CC[5]HH)(COO)	O(CC3)(COO)	106.3540	0.000	1	106.3540	0.000	1	107.4560	4.228	44	108.0841	12.039	78	109.3211	29.480	212	109.3211	29.480	212
930	893	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	4:3:	4:3:	O-2:O-2:O-1:	C-4:C-3:	C-4:C-3:	C(OC)2(O)	O(CC[5]HH)(COO)	O(CCHH)(COO)	C(OC)2(O)	O(CC[5]HH)(COO)	O(CCHH)(COO)	106.9380	0.000	1	106.9380	0.000	1	107.4560	4.228	44	108.0841	12.039	78	109.3211	29.480	212	109.3211	29.480	212
930	893	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	4:3:	4:3:	O-2:O-2:O-1:	C-4:C-3:	C-4:C-3:	C(OC)2(O)	O(CC[5]HH)(COO)	O(CC[5]HH)(COO)	C(OC)2(O)	O(CC[5]HH)(COO)	O(CC[5]HH)(COO)	106.8405	0.274	2	106.8405	0.075	2	107.4560	4.228	44	108.0841	12.039	78	109.3211	29.480	212	109.3211	29.480	212
930	893	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	4:3:	4:3:	O-2:O-2:O-1:	C-4:C-3:	C-4:C-3:	C(OC)2(O)	O(CC[6]CH)(COO)	O(CCHH)(COO)	C(OC)2(O)	O(CC[6]CH)(COO)	O(CCHH)(COO)	107.6500	0.000	1	107.6500	0.000	1	107.4560	4.228	44	108.0841	12.039	78	109.3211	29.480	212	109.3211	29.480	212
930	893	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	4:3:	4:3:	O-2:O-2:O-1:	C-4:C-3:	C-4:C-3:	C(OC)2(O)	O(CC[6]HH)(COO)	O(CC3)(COO)	C(OC)2(O)	O(CC[6]HH)(COO)	O(CC3)(COO)	106.4907	1.702	4	106.4907	2.897	4	107.4560	4.228	44	108.0841	12.039	78	109.3211	29.480	212	109.3211	29.480	212
930	893	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	4:3:	4:3:	O-2:O-2:O-1:	C-4:C-3:	C-4:C-3:	C(OC)2(O)	O(CC[6a]CH)(COO)	O(CC3)(COO)	C(OC)2(O)	O(CC[6a]CH)(COO)	O(CC3)(COO)	106.2310	0.772	2	106.2310	0.596	2	107.4560	4.228	44	108.0841	12.039	78	109.3211	29.480	212	109.3211	29.480	212
930	893	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	4:3:	4:3:	O-2:O-2:O-1:	C-4:C-3:	C-4:C-3:	C(OC)2(O)	O(CC[6a]CH)(COO)	O(CCHH)(COO)	C(OC)2(O)	O(CC[6a]CH)(COO)	O(CCHH)(COO)	112.5855	0.203	2	112.5855	0.041	2	107.4560	4.228	44	108.0841	12.039	78	109.3211	29.480	212	109.3211	29.480	212
930	893	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	4:3:	4:3:	O-2:O-2:O-1:	C-4:C-3:	C-4:C-3:	C(OC)2(O)	O(CC[6a]CH)(COO)	O(CH3)(COO)	C(OC)2(O)	O(CC[6a]CH)(COO)	O(CH3)(COO)	107.0940	0.000	1	107.0940	0.000	1	107.4560	4.228	44	108.0841	12.039	78	109.3211	29.480	212	109.3211	29.480	212
930	893	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	4:3:	4:3:	O-2:O-2:O-1:	C-4:C-3:	C-4:C-3:	C(OC)2(O)	O(CC[6a]C[5]H)(COO)	O(CC[6a]HH)(COO)	C(OC)2(O)	O(CC[6a]C[5]H)(COO)	O(CC[6a]HH)(COO)	106.5050	0.000	1	106.5050	0.000	1	107.4560	4.228	44	108.0841	12.039	78	109.3211	29.480	212	109.3211	29.480	212
930	893	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	4:3:	4:3:	O-2:O-2:O-1:	C-4:C-3:	C-4:C-3:	C(OC)2(O)	O(CC[6a]HH)(COO)	O(CC3)(COO)	C(OC)2(O)	O(CC[6a]HH)(COO)	O(CC3)(COO)	107.5480	0.000	1	107.5480	0.000	1	107.4560	4.228	44	108.0841	12.039	78	109.3211	29.480	212	109.3211	29.480	212
930	893	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	4:3:	4:3:	O-2:O-2:O-1:	C-4:C-3:	C-4:C-3:	C(OC)2(O)	O(CC[6a]HH)(COO)	O(CC[5]CH)(COO)	C(OC)2(O)	O(CC[6a]HH)(COO)	O(CC[5]CH)(COO)	106.5880	0.000	1	106.5880	0.000	1	107.4560	4.228	44	108.0841	12.039	78	109.3211	29.480	212	109.3211	29.480	212
930	893	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	4:3:	4:3:	O-2:O-2:O-1:	C-4:C-3:	C-4:C-3:	C(OC)2(O)	O(CC[6a]HH)(COO)	O(CC[6a]HH)(COO)	C(OC)2(O)	O(CC[6a]HH)(COO)	O(CC[6a]HH)(COO)	107.1298	0.324	4	107.1298	0.105	4	107.4560	4.228	44	108.0841	12.039	78	109.3211	29.480	212	109.3211	29.480	212
930	893	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	4:3:	4:3:	O-2:O-2:O-1:	C-4:C-3:	C-4:C-3:	C(OC)2(O)	O(CH3)(COO)	O(CH3)(COO)	C(OC)2(O)	O(CH3)(COO)	O(CH3)(COO)	107.8100	0.488	3	107.8100	0.238	3	107.4560	4.228	44	108.0841	12.039	78	109.3211	29.480	212	109.3211	29.480	212
930	893	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	4:3:	4:3:	O-2:O-2:O-1:	C-4:C-3:	C-4:C-3:	C(OC)2(O)	O(CN[5a]CH)(COO)	O(CCHH)(COO)	C(OC)2(O)	O(CN[5a]CH)(COO)	O(CCHH)(COO)	107.8825	1.033	2	107.8825	1.067	2	107.4560	4.228	44	108.0841	12.039	78	109.3211	29.480	212	109.3211	29.480	212
930	893	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	4:3:	4:3:	O-2:O-2:O-1:	C[5]-4:C-3:	C-4:C-3:	C(OC[5])(OC)(O)	O(C[5]C[5,5]C[5]H)(COO)	O(CH3)(COO)	C(OC[5])(OC)(O)	O(C[5]C[5,5]C[5]H)(COO)	O(CH3)(COO)	106.0200	0.000	1	106.0200	0.000	1	106.5680	0.152	6	108.0841	12.039	78	109.3211	29.480	212	109.3211	29.480	212
930	893	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	4:3:	4:3:	O-2:O-2:O-1:	C[5]-4:C-3:	C-4:C-3:	C(OC[5])(OC)(O)	O(C[5]C[5]2C)(COO)	O(CH3)(COO)	C(OC[5])(OC)(O)	O(C[5]C[5]2C)(COO)	O(CH3)(COO)	106.5380	0.300	2	106.5380	0.090	2	106.5680	0.152	6	108.0841	12.039	78	109.3211	29.480	212	109.3211	29.480	212
930	893	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	4:3:	4:3:	O-2:O-2:O-1:	C[5]-4:C-3:	C-4:C-3:	C(OC[5])(OC)(O)	O(C[5]C[5]2H)(COO)	O(CC3)(COO)	C(OC[5])(OC)(O)	O(C[5]C[5]2H)(COO)	O(CC3)(COO)	107.1700	0.000	1	107.1700	0.000	1	106.5680	0.152	6	108.0841	12.039	78	109.3211	29.480	212	109.3211	29.480	212
930	893	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	4:3:	4:3:	O-2:O-2:O-1:	C[5]-4:C-3:	C-4:C-3:	C(OC[5])(OC)(O)	O(C[5]C[5]2H)(COO)	O(CH3)(COO)	C(OC[5])(OC)(O)	O(C[5]C[5]2H)(COO)	O(CH3)(COO)	106.5220	0.000	1	106.5220	0.000	1	106.5680	0.152	6	108.0841	12.039	78	109.3211	29.480	212	109.3211	29.480	212
930	893	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	4:3:	4:3:	O-2:O-2:O-1:	C[5]-4:C-3:	C-4:C-3:	C(OC[5])(OC)(O)	O(C[5]C[5]2H)(COO)	O(CMoCH)(COO)	C(OC[5])(OC)(O)	O(C[5]C[5]2H)(COO)	O(CMoCH)(COO)	106.6200	0.000	1	106.6200	0.000	1	106.5680	0.152	6	108.0841	12.039	78	109.3211	29.480	212	109.3211	29.480	212
930	893	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	4:3:	4:3:	O-2:O-2:O-1:	C[6]-4:C-3:	C-4:C-3:	C(OC[6])(OC)(O)	O(C[6]C[4,6]C[6]H)(COO)	O(CC3)(COO)	C(OC[6])(OC)(O)	O(C[6]C[4,6]C[6]H)(COO)	O(CC3)(COO)	105.9910	0.000	2	105.9910	0.000	2	106.7200	1.041	19	108.0841	12.039	78	109.3211	29.480	212	109.3211	29.480	212
930	893	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	4:3:	4:3:	O-2:O-2:O-1:	C[6]-4:C-3:	C-4:C-3:	C(OC[6])(OC)(O)	O(C[6]C[6,6]C[6]H)(COO)	O(CC3)(COO)	C(OC[6])(OC)(O)	O(C[6]C[6,6]C[6]H)(COO)	O(CC3)(COO)	106.2235	1.497	2	106.2235	2.241	2	106.7200	1.041	19	108.0841	12.039	78	109.3211	29.480	212	109.3211	29.480	212
930	893	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	4:3:	4:3:	O-2:O-2:O-1:	C[6]-4:C-3:	C-4:C-3:	C(OC[6])(OC)(O)	O(C[6]C[6,6]C[6]H)(COO)	O(CCHH)(COO)	C(OC[6])(OC)(O)	O(C[6]C[6,6]C[6]H)(COO)	O(CCHH)(COO)	106.1810	0.000	1	106.1810	0.000	1	106.7200	1.041	19	108.0841	12.039	78	109.3211	29.480	212	109.3211	29.480	212
930	893	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	4:3:	4:3:	O-2:O-2:O-1:	C[6]-4:C-3:	C-4:C-3:	C(OC[6])(OC)(O)	O(C[6]C[6]2C)(COO)	O(CH3)(COO)	C(OC[6])(OC)(O)	O(C[6]C[6]2C)(COO)	O(CH3)(COO)	105.6030	0.000	1	105.6030	0.000	1	106.7200	1.041	19	108.0841	12.039	78	109.3211	29.480	212	109.3211	29.480	212
930	893	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	4:3:	4:3:	O-2:O-2:O-1:	C[6]-4:C-3:	C-4:C-3:	C(OC[6])(OC)(O)	O(C[6]C[6]2H)(COO)	O(CC3)(COO)	C(OC[6])(OC)(O)	O(C[6]C[6]2H)(COO)	O(CC3)(COO)	106.0150	0.761	2	106.0150	0.579	2	106.7200	1.041	19	108.0841	12.039	78	109.3211	29.480	212	109.3211	29.480	212
930	893	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	4:3:	4:3:	O-2:O-2:O-1:	C[6]-4:C-3:	C-4:C-3:	C(OC[6])(OC)(O)	O(C[6]C[6]2H)(COO)	O(CCHH)(COO)	C(OC[6])(OC)(O)	O(C[6]C[6]2H)(COO)	O(CCHH)(COO)	108.3100	1.502	2	108.3100	2.256	2	106.7200	1.041	19	108.0841	12.039	78	109.3211	29.480	212	109.3211	29.480	212
930	893	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	4:3:	4:3:	O-2:O-2:O-1:	C[6]-4:C-3:	C-4:C-3:	C(OC[6])(OC)(O)	O(C[6]C[6]2H)(COO)	O(CCHO)(COO)	C(OC[6])(OC)(O)	O(C[6]C[6]2H)(COO)	O(CCHO)(COO)	107.1500	0.000	1	107.1500	0.000	1	106.7200	1.041	19	108.0841	12.039	78	109.3211	29.480	212	109.3211	29.480	212
930	893	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	4:3:	4:3:	O-2:O-2:O-1:	C[6]-4:C-3:	C-4:C-3:	C(OC[6])(OC)(O)	O(C[6]C[6]2H)(COO)	O(CC[3]HH)(COO)	C(OC[6])(OC)(O)	O(C[6]C[6]2H)(COO)	O(CC[3]HH)(COO)	107.8090	0.000	1	107.8090	0.000	1	106.7200	1.041	19	108.0841	12.039	78	109.3211	29.480	212	109.3211	29.480	212
930	893	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	4:3:	4:3:	O-2:O-2:O-1:	C[6]-4:C-3:	C-4:C-3:	C(OC[6])(OC)(O)	O(C[6]C[6]2H)(COO)	O(CC[5]HH)(COO)	C(OC[6])(OC)(O)	O(C[6]C[6]2H)(COO)	O(CC[5]HH)(COO)	107.1670	0.000	1	107.1670	0.000	1	106.7200	1.041	19	108.0841	12.039	78	109.3211	29.480	212	109.3211	29.480	212
930	893	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	4:3:	4:3:	O-2:O-2:O-1:	C[6]-4:C-3:	C-4:C-3:	C(OC[6])(OC)(O)	O(C[6]C[6]2H)(COO)	O(CC[6a]CH)(COO)	C(OC[6])(OC)(O)	O(C[6]C[6]2H)(COO)	O(CC[6a]CH)(COO)	107.4555	1.133	2	107.4555	1.285	2	106.7200	1.041	19	108.0841	12.039	78	109.3211	29.480	212	109.3211	29.480	212
930	893	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	4:3:	4:3:	O-2:O-2:O-1:	C[6]-4:C-3:	C-4:C-3:	C(OC[6])(OC)(O)	O(C[6]C[6]2H)(COO)	O(CClHH)(COO)	C(OC[6])(OC)(O)	O(C[6]C[6]2H)(COO)	O(CClHH)(COO)	106.2840	0.000	1	106.2840	0.000	1	106.7200	1.041	19	108.0841	12.039	78	109.3211	29.480	212	109.3211	29.480	212
930	893	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	4:3:	4:3:	O-2:O-2:O-1:	C[6]-4:C-3:	C-4:C-3:	C(OC[6])(OC)(O)	O(C[6]C[6]2H)(COO)	O(CH3)(COO)	C(OC[6])(OC)(O)	O(C[6]C[6]2H)(COO)	O(CH3)(COO)	106.2970	0.008	2	106.2970	0.000	2	106.7200	1.041	19	108.0841	12.039	78	109.3211	29.480	212	109.3211	29.480	212
930	893	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	4:3:	4:3:	O-2:O-2:O-1:	C[6]-4:C-3:	C-4:C-3:	C(OC[6])(OC)(O)	O(C[6]C[6]O[6]H)(COO)	O(CC[6a]HH)(COO)	C(OC[6])(OC)(O)	O(C[6]C[6]O[6]H)(COO)	O(CC[6a]HH)(COO)	106.9020	0.000	1	106.9020	0.000	1	106.7200	1.041	19	108.0841	12.039	78	109.3211	29.480	212	109.3211	29.480	212
930	893	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	4:3:	4:3:	O-2:O-2:O-1:	C[6]-4:C-3:	C[5]-4:C-3:	C(OC[5])(OC[6])(O)	O(C[6]C[6]2Mo)(COO)	O(C[5]C[5]2H)(COO)	C(OC[5])(OC[6])(O)	O(C[6]C[6]2Mo)(COO)	O(C[5]C[5]2H)(COO)	106.3180	0.000	1	106.3180	0.000	1	106.3180	0.000	1	108.0841	12.039	78	109.3211	29.480	212	109.3211	29.480	212
930	893	893	0:SP2_SP2_SP2	C	O	O	2:2:1:	4:3:	4:3:	O-2:O-2:O-1:	Si[5]-4:C-3:	Si[5]-4:C-3:	C(OSi[5])2(O)	O(Si[5]C[5]2O)(COO)	O(Si[5]C[5]2O)(COO)	C(OSi[5])2(O)	O(Si[5]C[5]2O)(COO)	O(Si[5]C[5]2O)(COO)	112.7760	0.000	1	112.7760	0.000	1	112.7760	0.000	1	108.0841	12.039	78	109.3211	29.480	212	109.3211	29.480	212
930	893	893	0:SP2_SP2_SP2	C	O	O	2:2:2:	3:1:	3:1:	O-2:O-2:O-2:	C-3:H-1:	C-3:H-1:	C(OH)3	O(COO)(H)	O(COO)(H)	C(OH)3	O(COO)(H)	O(COO)(H)	119.9915	0.042	2	119.9915	0.002	2	119.9915	0.002	2	119.9915	0.002	2	109.3211	29.480	212	109.3211	29.480	212
930	893	893	0:SP2_SP2_SP2	C	O	O	2:2:2:	4:3:	3:1:	N-2:O-2:O-2:	C-4:C-3:	C-3:H-1:	C(NC)(OC)(OH)	O(CCHH)(CNO)	O(CNO)(H)	C(NC)(OC)(OH)	O(CCHH)(CNO)	O(CNO)(H)	124.1200	0.000	1	124.1200	0.000	1	124.1200	0.000	1	124.1200	0.000	1	109.3211	29.480	212	109.3211	29.480	212
930	893	893	0:SP2_SP2_SP2	C	O	O	2:2:2:	4:3:	4:3:	O-2:O-2:P-2:	B-4:C-3:	Si-4:C-3:	C(OSi)(OB)(PC)	O(BC[6a]3)(COP)	O(SiC3)(COP)	C(OSi)(OB)(PC)	O(BC[6a]3)(COP)	O(SiC3)(COP)	116.2640	0.000	1	116.2640	0.000	1	116.2640	0.000	1	115.0750	2.827	2	109.3211	29.480	212	109.3211	29.480	212
930	893	893	0:SP2_SP2_SP2	C	O	O	2:2:2:	4:3:	4:3:	O-2:O-2:P-2:	Si-4:C-3:	Si-4:C-3:	C(OSi)2(PC)	O(SiC3)(COP)	O(SiC3)(COP)	C(OSi)2(PC)	O(SiC3)(COP)	O(SiC3)(COP)	113.8860	0.000	1	113.8860	0.000	1	113.8860	0.000	1	115.0750	2.827	2	109.3211	29.480	212	109.3211	29.480	212
930	893	893	0:SP2_SP2_SP2	C	O	O	2:2:3:	3:3:	3:3:	O-2:O-2:C-3:	C[6a]-3:C-3:	C[6a]-3:C-3:	C(OC[6a])2(COO)	O(C[6a]C[6a]2)(CCO)	O(C[6a]C[6a]2)(CCO)	C(OC[6a])2(COO)	O(C[6a]C[6a]2)(CCO)	O(C[6a]C[6a]2)(CCO)	116.6110	0.000	1	116.6110	0.000	1	116.6110	0.000	1	116.6110	0.000	1	109.3211	29.480	212	109.3211	29.480	212
930	893	893	0:SP2_SP2_SP2	C	O	O	3:2:2:	3:1:	3:1:	C[6a]-3:O-2:O-2:	C-3:H-1:	C-3:H-1:	C(C[6a]C[6a]2)(OH)2	O(CC[6a]O)(H)	O(CC[6a]O)(H)	C(C[6a]C[6a]2)(OH)2	O(CC[6a]O)(H)	O(CC[6a]O)(H)	122.7010	1.266	2	122.7010	1.602	2	122.7010	1.602	2	122.7010	1.602	2	109.3211	29.480	212	109.3211	29.480	212
930	893	893	0:SP2_SP2_SP2	C	O	O	3:2:2:	3:3:	3:3:	C-3:O-2:O-2:	C[6a]-3:C-3:	C[6a]-3:C-3:	C(CC[6a]H)(OC[6a])2	O(C[6a]C[6a]2)(CCO)	O(C[6a]C[6a]2)(CCO)	C(CC[6a]H)(OC[6a])2	O(C[6a]C[6a]2)(CCO)	O(C[6a]C[6a]2)(CCO)	112.0270	3.168	3	112.0270	10.038	3	112.0270	10.038	3	112.0270	10.038	3	109.3211	29.480	212	109.3211	29.480	212
930	893	893	0:SP2_SP2_SP2	C	O	O	3:2:2:	3:3:	4:3:	C-3:O-2:O-2:	B-3:C-3:	C-4:C-3:	C(CC[6a]C)(OB)(OC)	O(BC[6a]O)(CCO)	O(CCHH)(CCO)	C(CC[6a]C)(OB)(OC)	O(BC[6a]O)(CCO)	O(CCHH)(CCO)	115.6120	0.687	2	115.6120	0.472	2	115.6120	0.472	2	109.5280	30.976	5	109.3211	29.480	212	109.3211	29.480	212
930	893	893	0:SP2_SP2_SP2	C	O	O	3:2:2:	3:3:	4:3:	C-3:O-2:O-2:	C-3:C-3:	C-4:C-3:	C(CC[6,6]H)(OC)2	O(CC[6]O)(CCO)	O(CH3)(CCO)	C(CC[6,6]H)(OC)2	O(CC[6]O)(CCO)	O(CH3)(CCO)	105.2960	0.000	1	105.2960	0.000	1	105.4720	0.023	3	109.5280	30.976	5	109.3211	29.480	212	109.3211	29.480	212
930	893	893	0:SP2_SP2_SP2	C	O	O	3:2:2:	3:3:	4:3:	C-3:O-2:O-2:	C-3:C-3:	C-4:C-3:	C(CC[6]H)(OC)2	O(CC[6]O)(CCO)	O(CH3)(CCO)	C(CC[6]H)(OC)2	O(CC[6]O)(CCO)	O(CH3)(CCO)	105.5600	0.010	2	105.5600	0.000	2	105.4720	0.023	3	109.5280	30.976	5	109.3211	29.480	212	109.3211	29.480	212
930	893	893	0:SP2_SP2_SP2	C	O	O	3:2:2:	3:4:	3:1:	C[5]-3:O-2:O-2:	C-3:C-4:	C-3:H-1:	C(C[5]C[5]2)(OC)(OH)	O(CC[5]O)(CCHH)	O(CC[5]O)(H)	C(C[5]C[5]2)(OC)(OH)	O(CC[5]O)(CCHH)	O(CC[5]O)(H)	118.7680	0.000	1	118.7680	0.000	1	118.7680	0.000	1	118.7680	0.000	1	109.3211	29.480	212	109.3211	29.480	212
930	893	893	0:SP2_SP2_SP2	C	O	O	3:2:2:	3:4:	3:4:	C[6a]-3:O-2:O-2:	C-3:Ga-4:	C-3:Ga-4:	C(C[6a]C[6a]2)(OGa)2	O(CC[6a]O)(GaCCO)	O(CC[6a]O)(GaCCO)	C(C[6a]C[6a]2)(OGa)2	O(CC[6a]O)(GaCCO)	O(CC[6a]O)(GaCCO)	121.6675	0.230	2	121.6675	0.053	2	121.6675	0.053	2	121.6675	0.053	2	109.3211	29.480	212	109.3211	29.480	212
930	893	893	0:SP2_SP2_SP2	C	O	O	3:2:2:	4:3:	3:1:	N-3:O-2:O-2:	P-4:C-3:	C-3:H-1:	C(NCC)(OH)(OP)	O(PCHW)(CNO)	O(CNO)(H)	C(NCC)(OH)(OP)	O(PCHW)(CNO)	O(CNO)(H)	119.6960	1.403	2	119.6960	1.968	2	119.6960	1.968	2	119.6960	1.968	2	109.3211	29.480	212	109.3211	29.480	212
930	893	893	0:SP2_SP2_SP2	C	O	O	3:2:2:	4:3:	3:4:	C[5]-3:O-2:O-2:	B-4:C-3:	C-3:C-4:	C(C[5]C[5]P[5])(OB)(OC)	O(BC[6a]2C[6])(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]C[5]P[5])(OB)(OC)	O(BC[6a]2C[6])(CC[5]O)	O(CC[5]O)(CH3)	116.6870	0.000	1	116.6870	0.000	1	116.4815	0.084	2	118.0067	7.021	3	109.3211	29.480	212	109.3211	29.480	212
930	893	893	0:SP2_SP2_SP2	C	O	O	3:2:2:	4:3:	3:4:	C[5]-3:O-2:O-2:	B-4:C-3:	C-3:C-4:	C(C[5]C[5]P[5])(OB)(OC)	O(BC[6a]3)(CC[5]O)	O(CC[5]O)(CH3)	C(C[5]C[5]P[5])(OB)(OC)	O(BC[6a]3)(CC[5]O)	O(CC[5]O)(CH3)	116.2760	0.000	1	116.2760	0.000	1	116.4815	0.084	2	118.0067	7.021	3	109.3211	29.480	212	109.3211	29.480	212
930	893	893	0:SP2_SP2_SP2	C	O	O	3:2:2:	4:3:	3:4:	C[6]-3:O-2:O-2:	B-4:C-3:	C-3:C-4:	C(C[6]C[3,6]P[6])(OB)(OC)	O(BC[6a]3)(CC[6]O)	O(CC[6]O)(CH3)	C(C[6]C[3,6]P[6])(OB)(OC)	O(BC[6a]3)(CC[6]O)	O(CC[6]O)(CH3)	121.0570	0.000	1	121.0570	0.000	1	121.0570	0.000	1	118.0067	7.021	3	109.3211	29.480	212	109.3211	29.480	212
930	893	893	0:SP2_SP2_SP2	C	O	O	3:2:2:	4:3:	4:3:	C-3:O-2:O-2:	B-4:C-3:	C-4:C-3:	C(CCH)(OB)(OC)	O(BF3)(CCO)	O(CH3)(CCO)	C(CCH)(OB)(OC)	O(BF3)(CCO)	O(CH3)(CCO)	118.9190	0.000	1	118.9190	0.000	1	117.8595	2.245	2	117.6934	14.791	10	109.3211	29.480	212	109.3211	29.480	212
930	893	893	0:SP2_SP2_SP2	C	O	O	3:2:2:	4:3:	4:3:	C-3:O-2:O-2:	B-4:C-3:	C-4:C-3:	C(CHN)(OB)(OC)	O(BC[6a]3)(CCO)	O(CCHH)(CCO)	C(CHN)(OB)(OC)	O(BC[6a]3)(CCO)	O(CCHH)(CCO)	116.8000	0.000	1	116.8000	0.000	1	117.8595	2.245	2	117.6934	14.791	10	109.3211	29.480	212	109.3211	29.480	212
930	893	893	0:SP2_SP2_SP2	C	O	O	3:2:2:	4:3:	4:3:	C-3:O-2:O-2:	C-4:C-3:	C-4:C-3:	C(CCC)(OC)2	O(CH3)(CCO)	O(CH3)(CCO)	C(CCC)(OC)2	O(CH3)(CCO)	O(CH3)(CCO)	115.2700	0.000	1	115.2700	0.000	1	114.0790	2.837	2	117.6934	14.791	10	109.3211	29.480	212	109.3211	29.480	212
930	893	893	0:SP2_SP2_SP2	C	O	O	3:2:2:	4:3:	4:3:	C-3:O-2:O-2:	C-4:C-3:	C-4:C-3:	C(CGaP)(OC)2	O(CCHH)(CCO)	O(CCHH)(CCO)	C(CGaP)(OC)2	O(CCHH)(CCO)	O(CCHH)(CCO)	112.8880	0.000	1	112.8880	0.000	1	114.0790	2.837	2	117.6934	14.791	10	109.3211	29.480	212	109.3211	29.480	212
930	893	893	0:SP2_SP2_SP2	C	O	O	3:2:2:	4:3:	4:3:	C-3:O-2:O-2:	C-4:C-3:	Ga-4:C-3:	C(CCH)(OGa)(OC)	O(CCHH)(CCO)	O(GaI3)(CCO)	C(CCH)(OGa)(OC)	O(CCHH)(CCO)	O(GaI3)(CCO)	119.5030	0.000	1	119.5030	0.000	1	119.5030	0.000	1	117.6934	14.791	10	109.3211	29.480	212	109.3211	29.480	212
930	893	893	0:SP2_SP2_SP2	C	O	O	3:2:2:	4:3:	4:3:	C-3:O-2:O-2:	Si-4:C-3:	C-4:C-3:	C(CCC)(OSi)(OC)	O(SiC[5]2O)(CCO)	O(CH3)(CCO)	C(CCC)(OSi)(OC)	O(SiC[5]2O)(CCO)	O(CH3)(CCO)	114.3975	0.801	2	114.3975	0.642	2	114.3975	0.642	2	117.6934	14.791	10	109.3211	29.480	212	109.3211	29.480	212
930	893	893	0:SP2_SP2_SP2	C	O	O	3:2:2:	4:3:	4:3:	C[6a]-3:O-2:O-2:	B[6,6]-4:C-3:	B[6,6]-4:C-3:	C(C[6a]C[6a]2)(OB[6,6])2	O(B[6,6]C[6,6]2O)(CC[6a]O)	O(B[6,6]C[6,6]2O)(CC[6a]O)	C(C[6a]C[6a]2)(OB[6,6])2	O(B[6,6]C[6,6]2O)(CC[6a]O)	O(B[6,6]C[6,6]2O)(CC[6a]O)	125.8910	0.000	1	125.8910	0.000	1	125.8910	0.000	1	117.6934	14.791	10	109.3211	29.480	212	109.3211	29.480	212
930	893	893	0:SP2_SP2_SP2	C	O	O	3:2:2:	4:3:	4:3:	N-3:O-2:O-2:	B-4:C-3:	Si-4:C-3:	C(NC[6a]C)(OSi)(OB)	O(BC[6a]3)(CNO)	O(SiC3)(CNO)	C(NC[6a]C)(OSi)(OB)	O(BC[6a]3)(CNO)	O(SiC3)(CNO)	120.6480	0.000	1	120.6480	0.000	1	120.6480	0.000	1	117.6934	14.791	10	109.3211	29.480	212	109.3211	29.480	212
930	893	893	0:SP2_SP2_SP2	C	O	O	3:2:2:	4:3:	4:3:	P-3:O-2:O-2:	B-4:C-3:	Si-4:C-3:	C(PSi2)(OSi)(OB)	O(BC[6a]3)(COP)	O(SiC3)(COP)	C(PSi2)(OSi)(OB)	O(BC[6a]3)(COP)	O(SiC3)(COP)	118.2200	0.000	1	118.2200	0.000	1	118.2200	0.000	1	117.6934	14.791	10	109.3211	29.480	212	109.3211	29.480	212
930	893	893	0:SP2_SP2_SP2	C	O	O	3:2:2:	6:3:	4:3:	C-3:O-2:O-2:	Nb-6:C-3:	C-4:C-3:	C(CCH)(ONb)(OC)	O(NbCl3OO)(CCO)	O(CH3)(CCO)	C(CCH)(ONb)(OC)	O(NbCl3OO)(CCO)	O(CH3)(CCO)	121.8955	0.460	2	121.8955	0.212	2	121.8955	0.212	2	121.8955	0.212	2	109.3211	29.480	212	109.3211	29.480	212
930	893	893	0:SP2_SP2_SP2	C	O	O	4:2:2:	3:2:	3:2:	C[3x4,3x6]-4:O-2:O-2:	C-3:H-2:	C-3:H-2:	C(C[3x4,3x6]C[3x4,3x6]3)(OH)2	O(CC[3x4,3x6]O)(HH)	O(CC[3x4,3x6]O)(HH)	C(C[3x4,3x6]C[3x4,3x6]3)(OH)2	O(CC[3x4,3x6]O)(HH)	O(CC[3x4,3x6]O)(HH)	123.1020	0.337	2	123.1020	0.113	2	123.1020	0.113	2	123.1020	0.113	2	109.3211	29.480	212	109.3211	29.480	212
930	893	893	0:SP2_SP2_SP2	C	O	O	4:2:2:	3:3:	4:3:	C-4:O-2:O-2:	I-3:C-3:	B-4:C-3:	C(CH3)(OB)(OI)	O(IC[6a]O)(CCO)	O(BF3)(CCO)	C(CH3)(OB)(OI)	O(IC[6a]O)(CCO)	O(BF3)(CCO)	117.6160	0.000	1	117.6160	0.000	1	117.6160	0.000	1	117.6160	0.000	1	109.3211	29.480	212	109.3211	29.480	212
930	893	893	0:SP2_SP2_SP2	C	O	O	4:2:2:	4:3:	3:1:	C-4:O-2:O-2:	C-4:C-3:	C-3:H-1:	C(CH3)(OC)(OH)	O(CCHH)(CCO)	O(CCO)(H)	C(CH3)(OC)(OH)	O(CCHH)(CCO)	O(CCO)(H)	104.7660	0.000	1	104.7660	0.000	1	104.7660	0.000	1	104.7660	0.000	1	109.3211	29.480	212	109.3211	29.480	212
930	893	893	0:SP2_SP2_SP2	C	O	O	4:2:2:	4:3:	4:3:	C-4:O-2:O-2:	B-4:C-3:	C-4:C-3:	C(CCHH)(OB)(OC)	O(BC[6a]3)(CCO)	O(CCHH)(CCO)	C(CCHH)(OB)(OC)	O(BC[6a]3)(CCO)	O(CCHH)(CCO)	117.5160	0.000	1	117.5160	0.000	1	117.7585	0.118	2	114.2890	16.212	6	109.3211	29.480	212	109.3211	29.480	212
930	893	893	0:SP2_SP2_SP2	C	O	O	4:2:2:	4:3:	4:3:	C-4:O-2:O-2:	B-4:C-3:	C-4:C-3:	C(CCHH)(OB)(OC)	O(BC[6a]3)(CCO)	O(CH3)(CCO)	C(CCHH)(OB)(OC)	O(BC[6a]3)(CCO)	O(CH3)(CCO)	118.0010	0.000	1	118.0010	0.000	1	117.7585	0.118	2	114.2890	16.212	6	109.3211	29.480	212	109.3211	29.480	212
930	893	893	0:SP2_SP2_SP2	C	O	O	4:2:2:	4:3:	4:3:	C-4:O-2:O-2:	C-4:C-3:	C-4:C-3:	C(CC3)(OC)2	O(CH3)(CCO)	O(CH3)(CCO)	C(CC3)(OC)2	O(CH3)(CCO)	O(CH3)(CCO)	115.5440	0.000	1	115.5440	0.000	1	111.4150	14.627	3	114.2890	16.212	6	109.3211	29.480	212	109.3211	29.480	212
930	893	893	0:SP2_SP2_SP2	C	O	O	4:2:2:	4:3:	4:3:	C-4:O-2:O-2:	C-4:C-3:	C-4:C-3:	C(CN[5]HH)(OC)2	O(CH3)(CCO)	O(CH3)(CCO)	C(CN[5]HH)(OC)2	O(CH3)(CCO)	O(CH3)(CCO)	109.3505	1.918	2	109.3505	3.680	2	111.4150	14.627	3	114.2890	16.212	6	109.3211	29.480	212	109.3211	29.480	212
930	893	893	0:SP2_SP2_SP2	C	O	O	4:2:2:	4:3:	4:3:	C-4:O-2:O-2:	Si-4:C-3:	C-4:C-3:	C(CPt2C)(OSi)(OC)	O(SiC[6a]2Pt)(CCO)	O(CH3)(CCO)	C(CPt2C)(OSi)(OC)	O(SiC[6a]2Pt)(CCO)	O(CH3)(CCO)	115.9720	0.000	1	115.9720	0.000	1	115.9720	0.000	1	114.2890	16.212	6	109.3211	29.480	212	109.3211	29.480	212
930	893	893	0:SP2_SP2_SP2	C	O	O	4:2:2:	5:3:	4:3:	C-4:O-2:O-2:	B[3]-5:C-3:	C-4:C-3:	C(CRuBC)(OB[3])(OC)	O(B[3]B[3]H[3]RuH)(CCO)	O(CH3)(CCO)	C(CRuBC)(OB[3])(OC)	O(B[3]B[3]H[3]RuH)(CCO)	O(CH3)(CCO)	114.1220	0.000	1	114.1220	0.000	1	114.1220	0.000	1	114.1220	0.000	1	109.3211	29.480	212	109.3211	29.480	212
930	893	893	0:SP2_SP2_SP2	C	O	O	4:2:2:	6:3:	4:3:	C-4:O-2:O-2:	Nb-6:C-3:	C-4:C-3:	C(CCHN)(ONb)(OC)	O(NbCl5)(CCO)	O(CH3)(CCO)	C(CCHN)(ONb)(OC)	O(NbCl5)(CCO)	O(CH3)(CCO)	125.4400	0.000	1	125.4400	0.000	1	125.4400	0.000	1	125.4400	0.000	1	109.3211	29.480	212	109.3211	29.480	212
930	893	899	0:SP2_SP-NON_SP2	C	O	C	2:1:1:	3:3:	3:	O-2:C-1:H-1:	C[5]-3:C-3:	C-3:	C(OC[5])(C)(H)	O(C[5]C[5]2)(CCH)	C(CHO)	C(OC[5])(C)(H)	O(C[5]C[5]2)(CCH)	C(CHO)	108.1280	0.000	1	108.1280	0.000	1	108.1280	0.000	1	109.2955	2.726	2	116.8605	78.670	4	116.8605	78.670	4
930	893	899	0:SP2_SP-NON_SP2	C	O	C	2:1:1:	3:3:	3:	O-2:C-1:O-1:	C[5]-3:C-3:	C-3:	C(OC[5])(C)(O)	O(C[5]C[5]N[5])(CCO)	C(COO)	C(OC[5])(C)(O)	O(C[5]C[5]N[5])(CCO)	C(COO)	110.4630	0.000	1	110.4630	0.000	1	110.4630	0.000	1	109.2955	2.726	2	116.8605	78.670	4	116.8605	78.670	4
930	893	899	0:SP2_SP-NON_SP2	C	O	C	2:1:1:	4:3:	3:	O-2:C-1:O-1:	C-4:C-3:	C-3:	C(OC)(C)(O)	O(CCHH)(CCO)	C(COO)	C(OC)(C)(O)	O(CCHH)(CCO)	C(COO)	125.9030	0.000	1	125.9030	0.000	1	125.9030	0.000	1	125.9030	0.000	1	116.8605	78.670	4	116.8605	78.670	4
930	893	899	0:SP2_SP-NON_SP2	C	O	C	4:2:1:	3:1:	3:	C[5,6]-4:O-2:C-1:	C-3:H-1:	C-3:	C(C[5,6]C[5,6]C[5]C[6])(OH)(C)	O(CC[5,6]C)(H)	C(CC[5,6]O)	C(C[5,6]C[5,6]C[5]C[6])(OH)(C)	O(CC[5,6]C)(H)	C(CC[5,6]O)	122.9480	0.000	1	122.9480	0.000	1	122.9480	0.000	1	122.9480	0.000	1	116.8605	78.670	4	116.8605	78.670	4
930	893	901	0:SP2_SP1_SP2	C	O	N	2:4:1:	4:3:	3:	O-2:C-4:N-1:	C[6]-4:C-3:	C-3:	C(OC[6])(CCl3)(N)	O(C[6]C[6]O[6]H)(CCN)	N(CCO)	C(OC[6])(CCl3)(N)	O(C[6]C[6]O[6]H)(CCN)	N(CCO)	123.5670	0.000	1	123.5670	0.000	1	123.5670	0.000	1	123.5670	0.000	1	117.7850	25.074	3	117.7850	25.074	3
930	893	901	0:SP2_SP1_SP2	C	O	N	3:2:1:	4:3:	3:	C-3:O-2:N-1:	S-4:C-3:	C-3:	C(CHH)(OS)(N)	O(SC[6]OO)(CCN)	N(CCO)	C(CHH)(OS)(N)	O(SC[6]OO)(CCN)	N(CCO)	114.8940	0.000	2	114.8940	0.000	2	114.8940	0.000	2	114.8940	0.000	2	117.7850	25.074	3	117.7850	25.074	3
930	893	902	0:SP2_SP2_SP2	C	O	C[3]	3:2:1:	3:4:	4:4:3:	C[3]-3:O-2:O-1:	C-3:C-4:	C[3,5,6]-4:C[3,5,6]-4:C-3:	C(C[3]C[3,5,6]2)(OC)(O)	O(CC[3]O)(CH3)	C[3](C[3,5,6]C[3,5,6]C[5,5,6]C)2(COO)	C(C[3]C[3,5,6]2)(OC)(O)	O(CC[3]O)(CH3)	C[3](C[3,5,6]C[3,5,6]C[5,5,6]C)2(COO){1|O<2>,2|C<2>,2|C<4>}	110.4440	0.000	1	110.4440	0.000	1	110.4440	0.000	1	110.4440	0.000	1	110.4440	0.000	1	110.4440	0.000	1
930	893	909	0:SP2_SP2_SP2	C	O	S	2:2:1:	3:3:	4:3:	O-2:S-2:O-1:	C[6a]-3:C-3:	C-4:C-3:	C(OC[6a])(SC)(O)	O(C[6a]C[6a]2)(COS)	S(CH3)(COO)	C(OC[6a])(SC)(O)	O(C[6a]C[6a]2)(COS)	S(CH3)(COO)	107.3320	0.281	4	107.3320	0.079	4	107.3320	0.079	4	107.3320	0.079	4	109.3558	13.484	36	109.3558	13.484	36
930	893	909	0:SP2_SP2_SP2	C	O	S	2:2:1:	4:3:	3:2:	O-2:S-2:O-1:	C-4:C-3:	C-3:N-2:	C(OC)(SN)(O)	O(CH3)(COS)	S(COO)(NC)	C(OC)(SN)(O)	O(CH3)(COS)	S(COO)(NC)	108.4270	0.048	3	108.4270	0.002	3	108.4270	0.002	3	110.3908	16.382	9	109.3558	13.484	36	109.3558	13.484	36
930	893	909	0:SP2_SP2_SP2	C	O	S	2:2:1:	4:3:	3:2:	O-2:S-2:O-1:	C-4:C-3:	C-3:S-2:	C(OC)(SS)(O)	O(CH3)(COS)	S(COO)(SC)	C(OC)(SS)(O)	O(CH3)(COS)	S(COO)(SC)	105.2250	0.564	2	105.2250	0.318	2	105.2250	0.318	2	110.3908	16.382	9	109.3558	13.484	36	109.3558	13.484	36
930	893	909	0:SP2_SP2_SP2	C	O	S	2:2:1:	4:3:	3:2:	O-2:S-2:S-1:	C-4:C-3:	C-3:S-2:	C(OC)(SS)(S)	O(CCCH)(CSS)	S(COS)(SC)	C(OC)(SS)(S)	O(CCCH)(CSS)	S(COS)(SC)	114.4465	0.009	4	114.4465	0.000	4	114.4465	0.000	4	110.3908	16.382	9	109.3558	13.484	36	109.3558	13.484	36
930	893	909	0:SP2_SP2_SP2	C	O	S	2:2:1:	4:3:	3:3:	S-2:O-2:O-1:	C-4:C-3:	C[6,6]-3:C-3:	C(SC[6,6])(OC)(O)	O(CH3)(COS)	S(C[6,6]C[3x6]C[6,6])(COO)	C(SC[6,6])(OC)(O)	O(CH3)(COS)	S(C[6,6]C[3x6]C[6,6])(COO)	105.2680	0.000	1	105.2680	0.000	1	105.2680	0.000	1	106.5298	2.086	4	109.3558	13.484	36	109.3558	13.484	36
930	893	909	0:SP2_SP2_SP2	C	O	S	2:2:1:	4:3:	3:3:	S-2:O-2:O-1:	C-4:C-3:	C[6]-3:C-3:	C(SC[6])(OC)(O)	O(CCHH)(COS)	S(C[6]C[6]S[6])(COO)	C(SC[6])(OC)(O)	O(CCHH)(COS)	S(C[6]C[6]S[6])(COO)	106.2715	1.170	2	106.2715	1.370	2	106.2715	1.370	2	106.5298	2.086	4	109.3558	13.484	36	109.3558	13.484	36
930	893	909	0:SP2_SP2_SP2	C	O	S	2:2:1:	4:3:	3:3:	S-2:O-2:O-1:	C[6]-4:C-3:	C[6a]-3:C-3:	C(SC[6a])(OC[6])(O)	O(C[6]C[6]2H)(COS)	S(C[6a]C[6a]2)(COO)	C(SC[6a])(OC[6])(O)	O(C[6]C[6]2H)(COS)	S(C[6a]C[6a]2)(COO)	108.3080	0.000	1	108.3080	0.000	1	108.3080	0.000	1	106.5298	2.086	4	109.3558	13.484	36	109.3558	13.484	36
930	893	909	0:SP2_SP2_SP2	C	O	S	2:2:1:	4:3:	4:3:	O-2:S-2:O-1:	C-4:C-3:	C-4:C-3:	C(OC)(SC)(O)	O(CH3)(COS)	S(CC[6a]CH)(COO)	C(OC)(SC)(O)	O(CH3)(COS)	S(CC[6a]CH)(COO)	107.3130	0.000	1	107.3130	0.000	1	107.9587	0.415	3	109.1031	16.211	15	109.3558	13.484	36	109.3558	13.484	36
930	893	909	0:SP2_SP2_SP2	C	O	S	2:2:1:	4:3:	4:3:	O-2:S-2:O-1:	C-4:C-3:	C-4:C-3:	C(OC)(SC)(O)	O(CH3)(COS)	S(CH3)(COO)	C(OC)(SC)(O)	O(CH3)(COS)	S(CH3)(COO)	108.2815	0.452	2	108.2815	0.204	2	107.9587	0.415	3	109.1031	16.211	15	109.3558	13.484	36	109.3558	13.484	36
930	893	909	0:SP2_SP2_SP2	C	O	S	2:2:1:	4:3:	4:3:	O-2:S-2:S-1:	C-4:C-3:	C-4:C-3:	C(OC)(SC)(S)	O(CCCH)(CSS)	S(CCHH)(COS)	C(OC)(SC)(S)	O(CCCH)(CSS)	S(CCHH)(COS)	106.0770	0.000	1	106.0770	0.000	1	107.5806	12.275	5	109.1031	16.211	15	109.3558	13.484	36	109.3558	13.484	36
930	893	909	0:SP2_SP2_SP2	C	O	S	2:2:1:	4:3:	4:3:	O-2:S-2:S-1:	C-4:C-3:	C-4:C-3:	C(OC)(SC)(S)	O(CCHH)(CSS)	S(CCCH)(COS)	C(OC)(SC)(S)	O(CCHH)(CSS)	S(CCCH)(COS)	105.6500	0.000	1	105.6500	0.000	1	107.5806	12.275	5	109.1031	16.211	15	109.3558	13.484	36	109.3558	13.484	36
930	893	909	0:SP2_SP2_SP2	C	O	S	2:2:1:	4:3:	4:3:	O-2:S-2:S-1:	C-4:C-3:	C-4:C-3:	C(OC)(SC)(S)	O(CCHH)(CSS)	S(CCHH)(COS)	C(OC)(SC)(S)	O(CCHH)(CSS)	S(CCHH)(COS)	106.4070	0.000	1	106.4070	0.000	1	107.5806	12.275	5	109.1031	16.211	15	109.3558	13.484	36	109.3558	13.484	36
930	893	909	0:SP2_SP2_SP2	C	O	S	2:2:1:	4:3:	4:3:	O-2:S-2:S-1:	C-4:C-3:	C-4:C-3:	C(OC)(SC)(S)	O(CCHH)(CSS)	S(CC[6a]CH)(COS)	C(OC)(SC)(S)	O(CCHH)(CSS)	S(CC[6a]CH)(COS)	113.8290	0.000	1	113.8290	0.000	1	107.5806	12.275	5	109.1031	16.211	15	109.3558	13.484	36	109.3558	13.484	36
930	893	909	0:SP2_SP2_SP2	C	O	S	2:2:1:	4:3:	4:3:	O-2:S-2:S-1:	C-4:C-3:	C-4:C-3:	C(OC)(SC)(S)	O(CH3)(CSS)	S(CCHH)(COS)	C(OC)(SC)(S)	O(CH3)(CSS)	S(CCHH)(COS)	105.9400	0.000	1	105.9400	0.000	1	107.5806	12.275	5	109.1031	16.211	15	109.3558	13.484	36	109.3558	13.484	36
930	893	909	0:SP2_SP2_SP2	C	O	S	2:2:1:	4:3:	4:3:	O-2:S-2:S-1:	C[5]-4:C-3:	C-4:C-3:	C(OC[5])(SC)(S)	O(C[5]C[5,6,6]C[5]H)(CSS)	S(CH3)(COS)	C(OC[5])(SC)(S)	O(C[5]C[5,6,6]C[5]H)(CSS)	S(CH3)(COS)	105.0730	0.000	1	105.0730	0.000	1	105.0730	0.000	1	109.1031	16.211	15	109.3558	13.484	36	109.3558	13.484	36
930	893	909	0:SP2_SP2_SP2	C	O	S	2:2:1:	4:3:	4:3:	O-2:S-2:S-1:	C[6]-4:C-3:	C-4:C-3:	C(OC[6])(SC)(S)	O(C[6]C[5,6]C[6]H)(CSS)	S(CH3)(COS)	C(OC[6])(SC)(S)	O(C[6]C[5,6]C[6]H)(CSS)	S(CH3)(COS)	105.3390	0.000	1	105.3390	0.000	1	105.7660	0.365	2	109.1031	16.211	15	109.3558	13.484	36	109.3558	13.484	36
930	893	909	0:SP2_SP2_SP2	C	O	S	2:2:1:	4:3:	4:3:	O-2:S-2:S-1:	C[6]-4:C-3:	C-4:C-3:	C(OC[6])(SC)(S)	O(C[6]C[6]2H)(CSS)	S(CH3)(COS)	C(OC[6])(SC)(S)	O(C[6]C[6]2H)(CSS)	S(CH3)(COS)	106.1930	0.000	1	106.1930	0.000	1	105.7660	0.365	2	109.1031	16.211	15	109.3558	13.484	36	109.3558	13.484	36
930	893	909	0:SP2_SP2_SP2	C	O	S	2:2:1:	4:3:	4:3:	S-2:O-2:S-1:	C-4:C-3:	C[3x4]-4:C-3:	C(SC[3x4])(OC)(S)	O(CCHH)(CSS)	S(C[3x4]C[4,4]3)(COS)	C(SC[3x4])(OC)(S)	O(CCHH)(CSS)	S(C[3x4]C[4,4]3)(COS)	112.8480	0.000	1	112.8480	0.000	1	112.8480	0.000	1	109.1031	16.211	15	109.3558	13.484	36	109.3558	13.484	36
930	893	909	0:SP2_SP2_SP2	C	O	S	2:2:1:	4:3:	4:3:	S-2:O-2:S-1:	C-4:C-3:	C[5]-4:C-3:	C(SC[5])(OC)(S)	O(CCHH)(CSS)	S(C[5]C[5,6a]C[5]H)(COS)	C(SC[5])(OC)(S)	O(CCHH)(CSS)	S(C[5]C[5,6a]C[5]H)(COS)	114.6090	0.000	1	114.6090	0.000	1	114.6090	0.000	1	109.1031	16.211	15	109.3558	13.484	36	109.3558	13.484	36
930	893	909	0:SP2_SP2_SP2	C	O	S	2:2:1:	4:3:	4:3:	S-2:O-2:S-1:	C-4:C-3:	Ga[4]-4:C-3:	C(SGa[4])(OC)(S)	O(CCHH)(CSS)	S(Ga[4]S[4]2S)(COS)	C(SGa[4])(OC)(S)	O(CCHH)(CSS)	S(Ga[4]S[4]2S)(COS)	115.3530	0.410	2	115.3530	0.168	2	115.3530	0.168	2	109.1031	16.211	15	109.3558	13.484	36	109.3558	13.484	36
930	893	909	0:SP2_SP2_SP2	C	O	S	2:2:2:	4:3:	3:2:	N-2:O-2:S-2:	C-4:C-3:	C-3:S-2:	C(NC)(OC)(SS)	O(CCHH)(CNS)	S(CNO)(SC)	C(NC)(OC)(SS)	O(CCHH)(CNS)	S(CNO)(SC)	112.7700	0.000	1	112.7700	0.000	1	112.7700	0.000	1	112.7700	0.000	1	109.3558	13.484	36	109.3558	13.484	36
930	893	909	0:SP2_SP2_SP2	C	O	S	2:2:2:	4:3:	4:3:	N-2:O-2:S-2:	C-4:C-3:	C-4:C-3:	C(NC)(OC)(SC)	O(CCHH)(CNS)	S(CCHH)(CNO)	C(NC)(OC)(SC)	O(CCHH)(CNS)	S(CCHH)(CNO)	112.5935	0.040	2	112.5935	0.002	2	112.8427	0.187	3	112.8427	0.187	3	109.3558	13.484	36	109.3558	13.484	36
930	893	909	0:SP2_SP2_SP2	C	O	S	2:2:2:	4:3:	4:3:	N-2:O-2:S-2:	C-4:C-3:	C-4:C-3:	C(NC)(OC)(SC)	O(CH3)(CNS)	S(CH3)(CNO)	C(NC)(OC)(SC)	O(CH3)(CNS)	S(CH3)(CNO)	113.3410	0.000	1	113.3410	0.000	1	112.8427	0.187	3	112.8427	0.187	3	109.3558	13.484	36	109.3558	13.484	36
930	893	930	0:SP2_SP2_SP2	C	O	C	2:2:3:	3:3:	2:2:3:	O-2:O-2:C-3:	C[6a]-3:C-3:	O-2:O-2:C-3:	C(OC[6a])2(COO)	O(C[6a]C[6a]2)(CCO)	C(OC[6a])2(COO)	C(OC[6a])2(COO)	O(C[6a]C[6a]2)(CCO)	C(OC[6a])2(COO)	121.6930	0.518	2	121.6930	0.268	2	121.6930	0.268	2	121.6930	0.268	2	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	2:2:3:	3:3:	3:3:1:	N-2:O-2:C-3:	C[6a]-3:C-3:	C-3:C-3:H-1:	C(NC[6a])(OC[6a])(CCH)	O(C[6a]C[6a]2)(CCN)	C(CC[6a]H)(CNO)(H)	C(NC[6a])(OC[6a])(CCH)	O(C[6a]C[6a]2)(CCN)	C(CC[6a]H)(CNO)(H)	112.0410	0.040	2	112.0410	0.002	2	112.0410	0.002	2	112.0410	0.002	2	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	2:3:1:	3:3:	2:3:1:	O-2:C-3:F-1:	C[6a]-3:C-3:	O-2:C-3:F-1:	C(OC[6a])(CFO)(F)	O(C[6a]C[6a]2)(CCF)	C(OC[6a])(CFO)(F)	C(OC[6a])(CFO)(F)	O(C[6a]C[6a]2)(CCF)	C(OC[6a])(CFO)(F)	130.9495	6.718	2	130.9495	45.135	2	130.9495	45.135	2	117.1718	129.591	6	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	2:3:1:	3:3:	2:3:1:	O-2:C-3:H-1:	C[6a]-3:C-3:	O-2:C-3:O-1:	C(OC[6a])(COO)(H)	O(C[6a]C[6a]2)(CCH)	C(OC[6])(CHO)(O)	C(OC[6a])(COO)(H)	O(C[6a]C[6a]2)(CCH)	C(OC[6])(CHO)(O)	111.9205	4.037	2	111.9205	16.296	2	111.9205	16.296	2	117.1718	129.591	6	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	2:3:1:	3:3:	2:3:1:	O-2:C-3:O-1:	N[5]-3:C-3:	O-2:C-3:O-1:	C(ON[5])(COO)(O)	O(N[5]C[5]2)(CCO)	C(OC[3x6])(COO)(O)	C(ON[5])(COO)(O)	O(N[5]C[5]2)(CCO)	C(OC[3x6])(COO)(O)	108.6455	2.515	2	108.6455	6.326	2	108.6455	6.326	2	117.1718	129.591	6	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	2:3:1:	3:3:	3:1:1:	O-2:C-3:F-1:	C[6a]-3:C-3:	C-3:F-1:F-1:	C(OC[6a])(CFF)(F)	O(C[6a]C[6a]2)(CCF)	C(CFO)(F)2	C(OC[6a])(CFF)(F)	O(C[6a]C[6a]2)(CCF)	C(CFO)(F)2	124.4205	0.829	2	124.4205	0.688	2	124.4205	0.688	2	123.7513	1.687	3	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	2:3:1:	3:3:	3:1:1:	O-2:C-3:H-1:	C[6a]-3:C-3:	C-3:H-1:H-1:	C(OC[6a])(CHH)(H)	O(C[6a]C[6a]2)(CCH)	C(CHO)(H)2	C(OC[6a])(CHH)(H)	O(C[6a]C[6a]2)(CCH)	C(CHO)(H)2	122.4130	0.000	1	122.4130	0.000	1	122.4130	0.000	1	123.7513	1.687	3	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	2:3:1:	3:3:	3:2:1:	O-2:C-3:O-1:	C[6a]-3:C-3:	C-3:N-2:H-1:	C(OC[6a])(CHN)(O)	O(C[6a]C[6a]2)(CCO)	C(COO)(NN)(H)	C(OC[6a])(CHN)(O)	O(C[6a]C[6a]2)(CCO)	C(COO)(NN)(H)	108.5830	0.000	1	108.5830	0.000	1	108.5830	0.000	1	108.5830	0.000	1	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	2:3:1:	3:3:	3:3:1:	O-2:C-3:H-1:	C[5a]-3:C-3:	C-3:C-3:H-1:	C(OC[5a])(CCH)(H)	O(C[5a]N[5a,6a]C[5a])(CCH)	C(CHO)(COO)(H)	C(OC[5a])(CCH)(H)	O(C[5a]N[5a,6a]C[5a])(CCH)	C(CHO)(COO)(H)	121.5070	0.000	1	121.5070	0.000	1	121.5070	0.000	1	113.2533	26.480	35	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	2:3:1:	3:3:	3:3:1:	O-2:C-3:H-1:	C[6]-3:C-3:	C-3:C-3:H-1:	C(OC[6])(CCH)(H)	O(C[6]C[6,6]N[6])(CCH)	C(CCH)(CHO)(H)	C(OC[6])(CCH)(H)	O(C[6]C[6,6]N[6])(CCH)	C(CCH)(CHO)(H)	128.9270	0.000	1	128.9270	0.000	1	128.6285	0.178	2	113.2533	26.480	35	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	2:3:1:	3:3:	3:3:1:	O-2:C-3:H-1:	C[6]-3:C-3:	C-3:C-3:H-1:	C(OC[6])(CCH)(H)	O(C[6]C[6,6a]C[5,6])(CCH)	C(CHO)(COO)(H)	C(OC[6])(CCH)(H)	O(C[6]C[6,6a]C[5,6])(CCH)	C(CHO)(COO)(H)	128.3300	0.000	1	128.3300	0.000	1	128.6285	0.178	2	113.2533	26.480	35	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	2:3:1:	3:3:	3:3:1:	O-2:C-3:H-1:	C[6a]-3:C-3:	C-3:C-3:H-1:	C(OC[6a])(CCH)(H)	O(C[6a]C[6a]2)(CCH)	C(CHO)(COO)(H)	C(OC[6a])(CCH)(H)	O(C[6a]C[6a]2)(CCH)	C(CHO)(COO)(H)	120.9527	1.077	3	120.9527	1.159	3	120.9527	1.159	3	113.2533	26.480	35	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	2:3:1:	3:3:	3:3:1:	O-2:C-3:O-1:	C[5]-3:C-3:	C-3:C-3:H-1:	C(OC[5])(CCH)(O)	O(C[5]C[5,6]C[5])(CCO)	C(CC[6a]H)(COO)(H)	C(OC[5])(CCH)(O)	O(C[5]C[5,6]C[5])(CCO)	C(CC[6a]H)(COO)(H)	112.0940	0.000	1	112.0940	0.000	1	112.0940	0.000	1	113.2533	26.480	35	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	2:3:1:	3:3:	3:3:1:	O-2:C-3:O-1:	C[6]-3:C-3:	C-3:C-3:H-1:	C(OC[6])(CCH)(O)	O(C[6]C[6]2)(CCO)	C(CHH)(COO)(H)	C(OC[6])(CCH)(O)	O(C[6]C[6]2)(CCO)	C(CHH)(COO)(H)	111.9220	0.000	1	111.9220	0.000	1	111.9220	0.000	1	113.2533	26.480	35	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	2:3:1:	3:3:	3:3:1:	O-2:C-3:O-1:	C[6a]-3:C-3:	C-3:C-3:H-1:	C(OC[6a])(CCH)(O)	O(C[6a]C[6a,6a]C[6a])(CCO)	C(CHH)(COO)(H)	C(OC[6a])(CCH)(O)	O(C[6a]C[6a,6a]C[6a])(CCO)	C(CHH)(COO)(H)	110.1420	0.000	1	110.1420	0.000	1	111.1915	1.359	25	113.2533	26.480	35	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	2:3:1:	3:3:	3:3:1:	O-2:C-3:O-1:	C[6a]-3:C-3:	C-3:C-3:H-1:	C(OC[6a])(CCH)(O)	O(C[6a]C[6a]2)(CCO)	C(CCC)(COO)(H)	C(OC[6a])(CCH)(O)	O(C[6a]C[6a]2)(CCO)	C(CCC)(COO)(H)	109.6430	0.000	1	109.6430	0.000	1	111.1915	1.359	25	113.2533	26.480	35	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	2:3:1:	3:3:	3:3:1:	O-2:C-3:O-1:	C[6a]-3:C-3:	C-3:C-3:H-1:	C(OC[6a])(CCH)(O)	O(C[6a]C[6a]2)(CCO)	C(CCH)(COO)(H)	C(OC[6a])(CCH)(O)	O(C[6a]C[6a]2)(CCO)	C(CCH)(COO)(H)	111.8740	0.000	1	111.8740	0.000	1	111.1915	1.359	25	113.2533	26.480	35	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	2:3:1:	3:3:	3:3:1:	O-2:C-3:O-1:	C[6a]-3:C-3:	C-3:C-3:H-1:	C(OC[6a])(CCH)(O)	O(C[6a]C[6a]2)(CCO)	C(CC[6a]H)(COO)(H)	C(OC[6a])(CCH)(O)	O(C[6a]C[6a]2)(CCO)	C(CC[6a]H)(COO)(H)	111.2782	1.225	16	111.2782	1.500	16	111.1915	1.359	25	113.2533	26.480	35	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	2:3:1:	3:3:	3:3:1:	O-2:C-3:O-1:	C[6a]-3:C-3:	C-3:C-3:H-1:	C(OC[6a])(CCH)(O)	O(C[6a]C[6a]2)(CCO)	C(CC[6a]N)(COO)(H)	C(OC[6a])(CCH)(O)	O(C[6a]C[6a]2)(CCO)	C(CC[6a]N)(COO)(H)	111.3580	0.000	1	111.3580	0.000	1	111.1915	1.359	25	113.2533	26.480	35	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	2:3:1:	3:3:	3:3:1:	O-2:C-3:O-1:	C[6a]-3:C-3:	C-3:C-3:H-1:	C(OC[6a])(CCH)(O)	O(C[6a]C[6a]2)(CCO)	C(CHH)(COO)(H)	C(OC[6a])(CCH)(O)	O(C[6a]C[6a]2)(CCO)	C(CHH)(COO)(H)	111.2638	1.223	5	111.2638	1.495	5	111.1915	1.359	25	113.2533	26.480	35	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	2:3:1:	3:3:	3:3:1:	O-2:C-3:O-1:	C[6a]-3:C-3:	C-3:N-3:O-1:	C(OC[6a])(CNO)(O)	O(C[6a]C[6a]2)(CCO)	C(COO)(NCN)(O)	C(OC[6a])(CNO)(O)	O(C[6a]C[6a]2)(CCO)	C(COO)(NCN)(O)	110.7230	0.000	1	110.7230	0.000	1	110.7230	0.000	1	113.2533	26.480	35	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	2:3:1:	3:3:	3:3:1:	O-2:C-3:O-1:	N[5]-3:C-3:	C-3:C-3:H-1:	C(ON[5])(CCH)(O)	O(N[5]C[5]2)(CCO)	C(CC[5a]H)(COO)(H)	C(ON[5])(CCH)(O)	O(N[5]C[5]2)(CCO)	C(CC[5a]H)(COO)(H)	107.7160	0.000	1	107.7160	0.000	1	107.7160	0.000	1	113.2533	26.480	35	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	2:3:1:	3:3:	3:3:2:	O-2:C-3:H-1:	C[6a]-3:C-3:	C-3:C-3:C-2:	C(OC[6a])(CCC)(H)	O(C[6a]C[6a]2)(CCH)	C(CHO)(COO)(CC)	C(OC[6a])(CCC)(H)	O(C[6a]C[6a]2)(CCH)	C(CHO)(COO)(CC)	120.6090	0.000	1	120.6090	0.000	1	120.6090	0.000	1	120.6090	0.000	1	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	2:3:1:	3:3:	3:3:3:	O-2:C-3:O-1:	N[6]-3:C-3:	C-3:C-3:C-3:	C(ON[6])(CCC)(O)	O(N[6]C[6]2)(CCO)	C(CC[5]H)(CCO)(COO)	C(ON[6])(CCC)(O)	O(N[6]C[6]2)(CCO)	C(CC[5]H)(CCO)(COO)	107.4710	0.000	1	107.4710	0.000	1	107.6875	0.094	2	107.6875	0.094	2	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	2:3:1:	3:3:	3:3:3:	O-2:C-3:O-1:	N[6]-3:C-3:	C-3:C-3:C-3:	C(ON[6])(CCC)(O)	O(N[6]C[6]2)(CCO)	C(CC[5a]H)(CCO)(COO)	C(ON[6])(CCC)(O)	O(N[6]C[6]2)(CCO)	C(CC[5a]H)(CCO)(COO)	107.9040	0.000	1	107.9040	0.000	1	107.6875	0.094	2	107.6875	0.094	2	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	2:3:1:	3:3:	4:3:1:	O-2:C-3:H-1:	C[6a]-3:C-3:	C-4:C-3:H-1:	C(OC[6a])(CCH)(H)	O(C[6a]C[5,6a]C[6a])(CCH)	C(CCCO)(CHO)(H)	C(OC[6a])(CCH)(H)	O(C[6a]C[5,6a]C[6a])(CCH)	C(CCCO)(CHO)(H)	129.5460	0.000	1	129.5460	0.000	1	129.5460	0.000	1	125.2140	37.532	2	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	2:3:1:	3:3:	4:3:1:	O-2:C-3:O-1:	N[6]-3:C-3:	P-4:C-3:H-1:	C(ON[6])(CHP)(O)	O(N[6]C[6]2)(CCO)	C(PC[6a]3)(COO)(H)	C(ON[6])(CHP)(O)	O(N[6]C[6]2)(CCO)	C(PC[6a]3)(COO)(H)	120.8820	0.000	1	120.8820	0.000	1	120.8820	0.000	1	125.2140	37.532	2	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	2:3:1:	3:3:	4:3:3:	O-2:C-3:H-1:	C[6a]-3:C-3:	C-4:C-3:C-3:	C(OC[6a])(CCC)(H)	O(C[6a]C[6a]O[6a])(CCH)	C(CH3)(CCO)(CHO)	C(OC[6a])(CCC)(H)	O(C[6a]C[6a]O[6a])(CCH)	C(CH3)(CCO)(CHO)	131.7070	0.000	1	131.7070	0.000	1	131.7070	0.000	1	113.5111	38.027	11	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	2:3:1:	3:3:	4:3:3:	O-2:C-3:O-1:	C[5]-3:C-3:	C-4:C-3:C-3:	C(OC[5])(CCC)(O)	O(C[5]C[5,6]C[5])(CCO)	C(CH3)(CHH)(COO)	C(OC[5])(CCC)(O)	O(C[5]C[5,6]C[5])(CCO)	C(CH3)(CHH)(COO)	111.1650	0.000	1	111.1650	0.000	1	111.1650	0.000	1	113.5111	38.027	11	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	2:3:1:	3:3:	4:3:3:	O-2:C-3:O-1:	C[6a]-3:C-3:	C-4:C-3:C-3:	C(OC[6a])(CCC)(O)	O(C[6a]C[6a]2)(CCO)	C(CH3)(CHH)(COO)	C(OC[6a])(CCC)(O)	O(C[6a]C[6a]2)(CCO)	C(CH3)(CHH)(COO)	111.7284	1.499	8	111.7284	2.246	8	111.7284	2.246	8	113.5111	38.027	11	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	2:3:1:	3:3:	4:3:3:	O-2:C-3:O-1:	N[5]-3:C-3:	C-4:C-3:C-3:	C(ON[5])(CCC)(O)	O(N[5]C[5]2)(CCO)	C(CH3)(CHH)(COO)	C(ON[5])(CCC)(O)	O(N[5]C[5]2)(CCO)	C(CH3)(CHH)(COO)	111.9230	0.000	1	111.9230	0.000	1	111.9230	0.000	1	113.5111	38.027	11	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	2:3:1:	4:3:	2:3:1:	O-2:C-3:O-1:	C[3x6]-4:C-3:	O-2:C-3:O-1:	C(OC[3x6])(COO)(O)	O(C[3x6]C[6,6]3)(CCO)	C(ON[5])(COO)(O)	C(OC[3x6])(COO)(O)	O(C[3x6]C[6,6]3)(CCO)	C(ON[5])(COO)(O)	109.9060	2.505	2	109.9060	6.273	2	109.9060	6.273	2	109.9404	2.444	8	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	2:3:1:	4:3:	2:3:1:	O-2:C-3:O-1:	C[6]-4:C-3:	O-2:C-3:H-1:	C(OC[6])(CHO)(O)	O(C[6]C[6]2H)(CCO)	C(OC[6a])(COO)(H)	C(OC[6])(CHO)(O)	O(C[6]C[6]2H)(CCO)	C(OC[6a])(COO)(H)	109.4105	0.291	2	109.4105	0.084	2	109.4105	0.084	2	109.9404	2.444	8	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	2:3:1:	4:3:	2:3:1:	O-2:C-3:O-1:	C[6]-4:C-3:	O-2:C-3:O-1:	C(OC[6])(COO)(O)	O(C[6]C[6]2H)(CCO)	C(OC[6])(COO)(O)	C(OC[6])(COO)(O)	O(C[6]C[6]2H)(CCO)	C(OC[6])(COO)(O)	110.2225	1.814	4	110.2225	3.289	4	110.2225	3.289	4	109.9404	2.444	8	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	2:3:1:	4:3:	3:1:1:	O-2:C-3:H-1:	C[5]-4:C-3:	C-3:H-1:H-1:	C(OC[5])(CHH)(H)	O(C[5]C[5,6]C[5]H)(CCH)	C(CHO)(H)2	C(OC[5])(CHH)(H)	O(C[5]C[5,6]C[5]H)(CCH)	C(CHO)(H)2	122.4580	0.000	1	122.4580	0.000	1	122.4580	0.000	1	116.6044	75.806	7	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	2:3:1:	4:3:	3:1:1:	O-2:C-3:H-1:	C[6]-4:C-3:	C-3:H-1:H-1:	C(OC[6])(CHH)(H)	O(C[6]C[6]2H)(CCH)	C(CHO)(H)2	C(OC[6])(CHH)(H)	O(C[6]C[6]2H)(CCH)	C(CHO)(H)2	130.0480	0.000	1	130.0480	0.000	1	126.9215	19.550	2	116.6044	75.806	7	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	2:3:1:	4:3:	3:1:1:	O-2:C-3:H-1:	C[6]-4:C-3:	C-3:H-1:H-1:	C(OC[6])(CHH)(H)	O(C[6]C[6]O[6]H)(CCH)	C(CHO)(H)2	C(OC[6])(CHH)(H)	O(C[6]C[6]O[6]H)(CCH)	C(CHO)(H)2	123.7950	0.000	1	123.7950	0.000	1	126.9215	19.550	2	116.6044	75.806	7	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	2:3:1:	4:3:	3:1:1:	O-2:C-3:O-1:	C[5]-4:C-3:	C-3:H-1:H-1:	C(OC[5])(CHH)(O)	O(C[5]C[5,6a]C[5]C)(CCO)	C(COO)(H)2	C(OC[5])(CHH)(O)	O(C[5]C[5,6a]C[5]C)(CCO)	C(COO)(H)2	111.1510	0.000	1	111.1510	0.000	1	111.1510	0.000	1	116.6044	75.806	7	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	2:3:1:	4:3:	3:1:1:	O-2:C-3:O-1:	C[6]-4:C-3:	C-3:H-1:H-1:	C(OC[6])(CHH)(O)	O(C[6]C[5,6]C[6]H)(CCO)	C(COO)(H)2	C(OC[6])(CHH)(O)	O(C[6]C[5,6]C[6]H)(CCO)	C(COO)(H)2	111.5560	0.000	1	111.5560	0.000	1	109.5930	5.458	3	116.6044	75.806	7	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	2:3:1:	4:3:	3:1:1:	O-2:C-3:O-1:	C[6]-4:C-3:	C-3:H-1:H-1:	C(OC[6])(CHH)(O)	O(C[6]C[6]2H)(CCO)	C(COO)(H)2	C(OC[6])(CHH)(O)	O(C[6]C[6]2H)(CCO)	C(COO)(H)2	108.6115	2.266	2	108.6115	5.136	2	109.5930	5.458	3	116.6044	75.806	7	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	2:3:1:	4:3:	3:2:1:	O-2:C-3:O-1:	C[5]-4:C-3:	C-3:C-2:H-1:	C(OC[5])(CCH)(O)	O(C[5]C[5,5]C[5]H)(CCO)	C(COO)(CC)(H)	C(OC[5])(CCH)(O)	O(C[5]C[5,5]C[5]H)(CCO)	C(COO)(CC)(H)	111.1250	0.000	1	111.1250	0.000	1	111.1250	0.000	1	111.1250	0.000	1	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	2:3:1:	4:3:	3:3:1:	O-2:C-3:H-1:	C[3x6]-4:C-3:	C-3:C-3:Cl-1:	C(OC[3x6])(CClC)(H)	O(C[3x6]C[6,6]3)(CCH)	C(CCO)(CHO)(Cl)	C(OC[3x6])(CClC)(H)	O(C[3x6]C[6,6]3)(CCH)	C(CCO)(CHO)(Cl)	121.8625	0.122	2	121.8625	0.015	2	121.8625	0.015	2	111.7690	7.246	40	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	2:3:1:	4:3:	3:3:1:	O-2:C-3:O-1:	C[5,6]-4:C-3:	C-3:C-3:H-1:	C(OC[5,6])(CCH)(O)	O(C[5,6]C[5,6,6]C[5,6]H)(CCO)	C(CC[6a]H)(COO)(H)	C(OC[5,6])(CCH)(O)	O(C[5,6]C[5,6,6]C[5,6]H)(CCO)	C(CC[6a]H)(COO)(H)	110.9850	2.082	2	110.9850	4.334	2	112.1321	2.108	7	111.7690	7.246	40	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	2:3:1:	4:3:	3:3:1:	O-2:C-3:O-1:	C[5,6]-4:C-3:	C-3:C-3:H-1:	C(OC[5,6])(CCH)(O)	O(C[5,6]C[5,6]C[5]C[6])(CCO)	C(CCH)(COO)(H)	C(OC[5,6])(CCH)(O)	O(C[5,6]C[5,6]C[5]C[6])(CCO)	C(CCH)(COO)(H)	112.5910	1.076	5	112.5910	1.157	5	112.1321	2.108	7	111.7690	7.246	40	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	2:3:1:	4:3:	3:3:1:	O-2:C-3:O-1:	C[5]-4:C-3:	C-3:C-3:H-1:	C(OC[5])(CCH)(O)	O(C[5]C[5,6]C[5]H)(CCO)	C(CCH)(COO)(H)	C(OC[5])(CCH)(O)	O(C[5]C[5,6]C[5]H)(CCO)	C(CCH)(COO)(H)	109.7680	0.000	1	109.7680	0.000	1	111.7218	2.433	6	111.7690	7.246	40	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	2:3:1:	4:3:	3:3:1:	O-2:C-3:O-1:	C[5]-4:C-3:	C-3:C-3:H-1:	C(OC[5])(CCH)(O)	O(C[5]C[5,6]C[5]H)(CCO)	C(CC[6a]H)(COO)(H)	C(OC[5])(CCH)(O)	O(C[5]C[5,6]C[5]H)(CCO)	C(CC[6a]H)(COO)(H)	110.1070	0.000	1	110.1070	0.000	1	111.7218	2.433	6	111.7690	7.246	40	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	2:3:1:	4:3:	3:3:1:	O-2:C-3:O-1:	C[5]-4:C-3:	C-3:C-3:H-1:	C(OC[5])(CCH)(O)	O(C[5]C[5]2H)(CCO)	C(CC[6a]H)(COO)(H)	C(OC[5])(CCH)(O)	O(C[5]C[5]2H)(CCO)	C(CC[6a]H)(COO)(H)	112.6140	0.923	4	112.6140	0.853	4	111.7218	2.433	6	111.7690	7.246	40	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	2:3:1:	4:3:	3:3:1:	O-2:C-3:O-1:	C[6,6]-4:C-3:	C-3:C-3:H-1:	C(OC[6,6])(CCH)(O)	O(C[6,6]C[3x6]2H)(CCO)	C(CHH)(COO)(H)	C(OC[6,6])(CCH)(O)	O(C[6,6]C[3x6]2H)(CCO)	C(CHH)(COO)(H)	110.7443	0.556	3	110.7443	0.309	3	110.7443	0.309	3	111.7690	7.246	40	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	2:3:1:	4:3:	3:3:1:	O-2:C-3:O-1:	C[6]-4:C-3:	C-3:C-3:H-1:	C(OC[6])(CCH)(O)	O(C[6]C[5,6]C[6]H)(CCO)	C(CC[6a]H)(COO)(H)	C(OC[6])(CCH)(O)	O(C[6]C[5,6]C[6]H)(CCO)	C(CC[6a]H)(COO)(H)	111.4610	0.000	1	111.4610	0.000	1	110.8884	1.536	22	111.7690	7.246	40	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	2:3:1:	4:3:	3:3:1:	O-2:C-3:O-1:	C[6]-4:C-3:	C-3:C-3:H-1:	C(OC[6])(CCH)(O)	O(C[6]C[6,6]C[6]H)(CCO)	C(CCC)(COO)(H)	C(OC[6])(CCH)(O)	O(C[6]C[6,6]C[6]H)(CCO)	C(CCC)(COO)(H)	111.0080	0.000	1	111.0080	0.000	1	110.8884	1.536	22	111.7690	7.246	40	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	2:3:1:	4:3:	3:3:1:	O-2:C-3:O-1:	C[6]-4:C-3:	C-3:C-3:H-1:	C(OC[6])(CCH)(O)	O(C[6]C[6,6]C[6]H)(CCO)	C(CC[6a]H)(COO)(H)	C(OC[6])(CCH)(O)	O(C[6]C[6,6]C[6]H)(CCO)	C(CC[6a]H)(COO)(H)	110.7717	1.379	10	110.7717	1.901	10	110.8884	1.536	22	111.7690	7.246	40	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	2:3:1:	4:3:	3:3:1:	O-2:C-3:O-1:	C[6]-4:C-3:	C-3:C-3:H-1:	C(OC[6])(CCH)(O)	O(C[6]C[6,6a]C[6]H)(CCO)	C(CCC)(COO)(H)	C(OC[6])(CCH)(O)	O(C[6]C[6,6a]C[6]H)(CCO)	C(CCC)(COO)(H)	110.3340	0.000	1	110.3340	0.000	1	110.8884	1.536	22	111.7690	7.246	40	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	2:3:1:	4:3:	3:3:1:	O-2:C-3:O-1:	C[6]-4:C-3:	C-3:C-3:H-1:	C(OC[6])(CCH)(O)	O(C[6]C[6]2H)(CCO)	C(CCC)(COO)(H)	C(OC[6])(CCH)(O)	O(C[6]C[6]2H)(CCO)	C(CCC)(COO)(H)	108.2330	0.000	1	108.2330	0.000	1	110.8884	1.536	22	111.7690	7.246	40	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	2:3:1:	4:3:	3:3:1:	O-2:C-3:O-1:	C[6]-4:C-3:	C-3:C-3:H-1:	C(OC[6])(CCH)(O)	O(C[6]C[6]2H)(CCO)	C(CCH)(COO)(H)	C(OC[6])(CCH)(O)	O(C[6]C[6]2H)(CCO)	C(CCH)(COO)(H)	110.3730	0.000	1	110.3730	0.000	1	110.8884	1.536	22	111.7690	7.246	40	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	2:3:1:	4:3:	3:3:1:	O-2:C-3:O-1:	C[6]-4:C-3:	C-3:C-3:H-1:	C(OC[6])(CCH)(O)	O(C[6]C[6]2H)(CCO)	C(CC[6a]H)(COO)(H)	C(OC[6])(CCH)(O)	O(C[6]C[6]2H)(CCO)	C(CC[6a]H)(COO)(H)	111.1640	0.807	5	111.1640	0.652	5	110.8884	1.536	22	111.7690	7.246	40	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	2:3:1:	4:3:	3:3:1:	O-2:C-3:O-1:	C[6]-4:C-3:	C-3:C-3:H-1:	C(OC[6])(CCH)(O)	O(C[6]C[6]2H)(CCO)	C(CHH)(COO)(H)	C(OC[6])(CCH)(O)	O(C[6]C[6]2H)(CCO)	C(CHH)(COO)(H)	112.4790	0.000	1	112.4790	0.000	1	110.8884	1.536	22	111.7690	7.246	40	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	2:3:1:	4:3:	3:3:1:	O-2:C-3:O-1:	C[6]-4:C-3:	C-3:C-3:H-1:	C(OC[6])(CCH)(O)	O(C[6]C[6]O[6]H)(CCO)	C(CC[6a]H)(COO)(H)	C(OC[6])(CCH)(O)	O(C[6]C[6]O[6]H)(CCO)	C(CC[6a]H)(COO)(H)	112.1200	0.000	1	112.1200	0.000	1	110.8884	1.536	22	111.7690	7.246	40	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	2:3:1:	4:3:	3:3:2:	O-2:C-3:O-1:	C[6]-4:C-3:	C-3:C-3:S-2:	C(OC[6])(CCS)(O)	O(C[6]C[6]2H)(CCO)	C(CCH)(COO)(SC)	C(OC[6])(CCS)(O)	O(C[6]C[6]2H)(CCO)	C(CCH)(COO)(SC)	112.5260	0.000	1	112.5260	0.000	1	112.5260	0.000	1	112.5260	0.000	1	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	2:3:1:	4:3:	3:3:3:	O-2:C-3:O-1:	C[6,6]-4:C-3:	S[5]-3:C-3:C-3:	C(OC[6,6])(CS[5]C)(O)	O(C[6,6]C[6,6]2H)(CCO)	C(S[5]C[5,6]C[5])(CCO)(COO)	C(OC[6,6])(CS[5]C)(O)	O(C[6,6]C[6,6]2H)(CCO)	C(S[5]C[5,6]C[5])(CCO)(COO)	115.5680	0.000	1	115.5680	0.000	1	115.5680	0.000	1	115.5680	0.000	1	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	2:3:1:	4:3:	3:4:1:	O-2:C-3:Cl-1:	C[6]-4:C-3:	C-3:C-4:Cl-1:	C(OC[6])(CClC)(Cl)	O(C[6]C[6]2H)(CClC)	C(CClO)(CH3)(Cl)	C(OC[6])(CClC)(Cl)	O(C[6]C[6]2H)(CClC)	C(CClO)(CH3)(Cl)	125.7780	0.000	1	125.7780	0.000	1	125.7780	0.000	1	125.7780	0.000	1	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	2:3:1:	4:3:	4:3:1:	O-2:C-3:H-1:	C[5]-4:C-3:	C-4:C-3:H-1:	C(OC[5])(CCH)(H)	O(C[5]C[5]O[5]C)(CCH)	C(CCHO)(CHO)(H)	C(OC[5])(CCH)(H)	O(C[5]C[5]O[5]C)(CCH)	C(CCHO)(CHO)(H)	126.6875	2.756	11	126.6875	7.598	11	126.6875	7.598	11	126.6875	7.598	11	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	2:3:1:	4:3:	4:3:3:	O-2:C-3:O-1:	C[5,6]-4:C-3:	C-4:C-3:C-3:	C(OC[5,6])(CCC)(O)	O(C[5,6]C[5,5,6]C[5,6,6]H)(CCO)	C(CH3)(CCH)(COO)	C(OC[5,6])(CCC)(O)	O(C[5,6]C[5,5,6]C[5,6,6]H)(CCO)	C(CH3)(CCH)(COO)	113.0820	0.212	2	113.0820	0.045	2	113.0820	0.045	2	113.2622	14.019	28	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	2:3:1:	4:3:	4:3:3:	O-2:C-3:O-1:	C[5]-4:C-3:	C-4:C-3:C-3:	C(OC[5])(CCC)(O)	O(C[5]C[5,5]C[5]H)(CCO)	C(CCCH)(CHH)(COO)	C(OC[5])(CCC)(O)	O(C[5]C[5,5]C[5]H)(CCO)	C(CCCH)(CHH)(COO)	110.2440	0.404	2	110.2440	0.164	2	117.0868	45.194	6	113.2622	14.019	28	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	2:3:1:	4:3:	4:3:3:	O-2:C-3:O-1:	C[5]-4:C-3:	C-4:C-3:C-3:	C(OC[5])(CCC)(O)	O(C[5]C[5,6]C[5]H)(CCO)	C(CH3)(CCH)(COO)	C(OC[5])(CCC)(O)	O(C[5]C[5,6]C[5]H)(CCO)	C(CH3)(CCH)(COO)	112.5090	0.000	1	112.5090	0.000	1	117.0868	45.194	6	113.2622	14.019	28	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	2:3:1:	4:3:	4:3:3:	O-2:C-3:O-1:	C[5]-4:C-3:	C-4:C-3:C-3:	C(OC[5])(CCC)(O)	O(C[5]C[5]2C)(CCO)	C(CCCH)(CHH)(COO)	C(OC[5])(CCC)(O)	O(C[5]C[5]2C)(CCO)	C(CCCH)(CHH)(COO)	123.1747	0.084	3	123.1747	0.007	3	117.0868	45.194	6	113.2622	14.019	28	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	2:3:1:	4:3:	4:3:3:	O-2:C-3:O-1:	C[6,6]-4:C-3:	C-4:C-3:C-3:	C(OC[6,6])(CCC)(O)	O(C[6,6]C[3x6]2C)(CCO)	C(CH3)(CHH)(COO)	C(OC[6,6])(CCC)(O)	O(C[6,6]C[3x6]2C)(CCO)	C(CH3)(CHH)(COO)	110.8130	0.000	1	110.8130	0.000	1	112.1310	3.474	2	113.2622	14.019	28	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	2:3:1:	4:3:	4:3:3:	O-2:C-3:O-1:	C[6,6]-4:C-3:	C-4:C-3:C-3:	C(OC[6,6])(CCC)(O)	O(C[6,6]C[3x6]2H)(CCO)	C(CH3)(CCH)(COO)	C(OC[6,6])(CCC)(O)	O(C[6,6]C[3x6]2H)(CCO)	C(CH3)(CCH)(COO)	113.4490	0.000	1	113.4490	0.000	1	112.1310	3.474	2	113.2622	14.019	28	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	2:3:1:	4:3:	4:3:3:	O-2:C-3:O-1:	C[6]-4:C-3:	C-4:C-3:C-3:	C(OC[6])(CCC)(O)	O(C[6]C[5,6,6]C[6]H)(CCO)	C(CH3)(CCH)(COO)	C(OC[6])(CCC)(O)	O(C[6]C[5,6,6]C[6]H)(CCO)	C(CH3)(CCH)(COO)	111.0710	0.000	1	111.0710	0.000	1	112.1331	2.099	18	113.2622	14.019	28	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	2:3:1:	4:3:	4:3:3:	O-2:C-3:O-1:	C[6]-4:C-3:	C-4:C-3:C-3:	C(OC[6])(CCC)(O)	O(C[6]C[5,6]C[6,6]H)(CCO)	C(CH3)(CCH)(COO)	C(OC[6])(CCC)(O)	O(C[6]C[5,6]C[6,6]H)(CCO)	C(CH3)(CCH)(COO)	111.2410	0.000	1	111.2410	0.000	1	112.1331	2.099	18	113.2622	14.019	28	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	2:3:1:	4:3:	4:3:3:	O-2:C-3:O-1:	C[6]-4:C-3:	C-4:C-3:C-3:	C(OC[6])(CCC)(O)	O(C[6]C[5,6]C[6]H)(CCO)	C(CH3)(CCH)(COO)	C(OC[6])(CCC)(O)	O(C[6]C[5,6]C[6]H)(CCO)	C(CH3)(CCH)(COO)	112.9373	0.608	4	112.9373	0.369	4	112.1331	2.099	18	113.2622	14.019	28	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	2:3:1:	4:3:	4:3:3:	O-2:C-3:O-1:	C[6]-4:C-3:	C-4:C-3:C-3:	C(OC[6])(CCC)(O)	O(C[6]C[5a,6]C[6,6]H)(CCO)	C(CHHO)(CCH)(COO)	C(OC[6])(CCC)(O)	O(C[6]C[5a,6]C[6,6]H)(CCO)	C(CHHO)(CCH)(COO)	114.0670	0.000	1	114.0670	0.000	1	112.1331	2.099	18	113.2622	14.019	28	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	2:3:1:	4:3:	4:3:3:	O-2:C-3:O-1:	C[6]-4:C-3:	C-4:C-3:C-3:	C(OC[6])(CCC)(O)	O(C[6]C[6,6]C[6]H)(CCO)	C(CH3)(CCH)(COO)	C(OC[6])(CCC)(O)	O(C[6]C[6,6]C[6]H)(CCO)	C(CH3)(CCH)(COO)	112.3388	0.527	5	112.3388	0.277	5	112.1331	2.099	18	113.2622	14.019	28	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	2:3:1:	4:3:	4:3:3:	O-2:C-3:O-1:	C[6]-4:C-3:	C-4:C-3:C-3:	C(OC[6])(CCC)(O)	O(C[6]C[6]2H)(CCO)	C(CH3)(CCH)(COO)	C(OC[6])(CCC)(O)	O(C[6]C[6]2H)(CCO)	C(CH3)(CCH)(COO)	111.2152	2.273	5	111.2152	5.165	5	112.1331	2.099	18	113.2622	14.019	28	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	2:3:1:	4:3:	4:3:3:	O-2:C-3:O-1:	C[6]-4:C-3:	C-4:C-3:C-3:	C(OC[6])(CCC)(O)	O(C[6]C[6]2H)(CCO)	C(CHHO)(CHH)(COO)	C(OC[6])(CCC)(O)	O(C[6]C[6]2H)(CCO)	C(CHHO)(CHH)(COO)	112.4970	0.000	1	112.4970	0.000	1	112.1331	2.099	18	113.2622	14.019	28	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	2:3:2:	3:1:	4:3:3:	N-2:C-3:O-2:	C-3:H-1:	P-4:C-3:C-3:	C(NC[6a])(CCP)(OH)	O(CCN)(H)	C(PO3)(CNO)(COO)	C(NC[6a])(CCP)(OH)	O(CCN)(H)	C(PO3)(CNO)(COO)	121.8810	0.197	2	121.8810	0.039	2	121.8810	0.039	2	121.8810	0.039	2	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	2:3:2:	3:3:	3:4:3:	O-2:C-3:C-2:	C[6a]-3:C-3:	In-3:C-4:C-3:	C(OC[6a])(CInC)(CC)	O(C[6a]C[6a]2)(CCC)	C(InII)(CH3)(CCO)	C(OC[6a])(CInC)(CC)	O(C[6a]C[6a]2)(CCC)	C(InII)(CH3)(CCO)	116.3970	0.000	1	116.3970	0.000	1	116.3970	0.000	1	116.3970	0.000	1	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	2:3:2:	3:3:	4:3:1:	O-2:C-3:C-2:	C[6a]-3:C-3:	C-4:C-3:I-1:	C(OC[6a])(CCI)(CC)	O(C[6a]C[6a]2)(CCC)	C(CH3)(CCO)(I)	C(OC[6a])(CCI)(CC)	O(C[6a]C[6a]2)(CCC)	C(CH3)(CCO)(I)	121.9370	0.000	1	121.9370	0.000	1	121.9370	0.000	1	121.9370	0.000	1	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	2:3:3:	3:3:	2:3:3:	O-2:N-3:C-3:	C[6]-3:C-3:	O-2:N-3:C-3:	C(OC[6])(NFeO)(CNO)	O(C[6]C[6]2)(CCN)	C(OC[6])(NFeO)(CNO)	C(OC[6])(NFeO)(CNO)	O(C[6]C[6]2)(CCN)	C(OC[6])(NFeO)(CNO)	124.5030	0.000	1	124.5030	0.000	1	123.7145	1.243	2	121.9637	9.818	3	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	2:3:3:	3:3:	2:3:3:	O-2:N-3:C-3:	C[6]-3:C-3:	O-2:N-3:C-3:	C(OC[6])(NFeO)(CNO)	O(C[6]C[6]2)(CCN)	C(OC[6a])(NFeO)(CNO)	C(OC[6])(NFeO)(CNO)	O(C[6]C[6]2)(CCN)	C(OC[6a])(NFeO)(CNO)	122.9260	0.000	1	122.9260	0.000	1	123.7145	1.243	2	121.9637	9.818	3	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	2:3:3:	3:3:	2:3:3:	O-2:N-3:C-3:	C[6a]-3:C-3:	O-2:N-3:C-3:	C(OC[6a])(NFeO)(CNO)	O(C[6a]C[6a]2)(CCN)	C(OC[6])(NFeO)(CNO)	C(OC[6a])(NFeO)(CNO)	O(C[6a]C[6a]2)(CCN)	C(OC[6])(NFeO)(CNO)	118.4620	0.000	1	118.4620	0.000	1	118.4620	0.000	1	121.9637	9.818	3	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	2:3:3:	3:3:	3:2:1:	O-2:C-3:C-3:	C[6a]-3:C-3:	C-3:O-2:O-1:	C(OC[6a])(CCH)(COO)	O(C[6a]C[6a]2)(CCC)	C(CCO)(OC)(O)	C(OC[6a])(CCH)(COO)	O(C[6a]C[6a]2)(CCC)	C(CCO)(OC)(O)	108.2560	0.846	2	108.2560	0.715	2	112.8502	20.918	6	112.8502	20.918	6	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	2:3:3:	3:3:	3:2:1:	O-2:C-3:C-3:	C[6a]-3:C-3:	C-3:O-2:O-1:	C(OC[6a])(CIrC)(COO)	O(C[6a]C[6a]2)(CCC)	C(CCO)(OC)(O)	C(OC[6a])(CIrC)(COO)	O(C[6a]C[6a]2)(CCC)	C(CCO)(OC)(O)	117.6490	3.231	2	117.6490	10.442	2	112.8502	20.918	6	112.8502	20.918	6	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	2:3:3:	3:3:	3:2:1:	O-2:C-3:C-3:	C[6a]-3:C-3:	C-3:O-2:O-1:	C(OC[6a])(CRhC)(COO)	O(C[6a]C[6a]2)(CCC)	C(CCO)(OC)(O)	C(OC[6a])(CRhC)(COO)	O(C[6a]C[6a]2)(CCC)	C(CCO)(OC)(O)	112.6455	2.254	2	112.6455	5.078	2	112.8502	20.918	6	112.8502	20.918	6	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	2:3:3:	3:3:	3:3:1:	O-2:C-3:C-3:	C[6a]-3:C-3:	C-3:C-3:H-1:	C(OC[6a])(CCC)(CCH)	O(C[6a]C[6a]2)(CCC)	C(CC[6a]H)(CCO)(H)	C(OC[6a])(CCC)(CCH)	O(C[6a]C[6a]2)(CCC)	C(CC[6a]H)(CCO)(H)	114.8690	0.000	1	114.8690	0.000	1	122.2160	40.722	3	119.6068	54.381	4	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	2:3:3:	3:3:	3:3:1:	O-2:C-3:C-3:	C[6a]-3:C-3:	C-3:C-3:H-1:	C(OC[6a])(CCH)(COO)	O(C[6a]C[6a]2)(CCC)	C(CCO)(COO)(H)	C(OC[6a])(CCH)(COO)	O(C[6a]C[6a]2)(CCC)	C(CCO)(COO)(H)	125.8895	0.691	2	125.8895	0.477	2	122.2160	40.722	3	119.6068	54.381	4	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	2:3:3:	3:3:	3:3:1:	O-2:C-3:C-3:	C[6a]-3:C-3:	C-3:C-3:O-1:	C(OC[6a])(CCC)(CCO)	O(C[6a]C[6a]N[6a])(CCC)	C(CCC)(CCO)(O)	C(OC[6a])(CCC)(CCO)	O(C[6a]C[6a]N[6a])(CCC)	C(CCC)(CCO)(O)	111.7790	0.000	1	111.7790	0.000	1	111.7790	0.000	1	119.6068	54.381	4	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	2:3:3:	3:3:	4:3:3:	O-2:C-3:C-3:	C[6a]-3:C-3:	C-4:C-3:C-3:	C(OC[6a])(CCC)(CCO)	O(C[6a]C[6a]N[6a])(CCC)	C(CH3)(CCH)(CCO)	C(OC[6a])(CCC)(CCO)	O(C[6a]C[6a]N[6a])(CCC)	C(CH3)(CCH)(CCO)	113.8050	0.000	1	113.8050	0.000	1	113.8050	0.000	1	119.4453	23.864	3	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	2:3:3:	3:3:	4:3:3:	O-2:C-3:N-3:	C[6a]-3:C-3:	C-4:C-3:C-3:	C(OC[6a])(CCC)(NCS)	O(C[6a]C[6a]2)(CCN)	C(CCHH)(CCH)(CNO)	C(OC[6a])(CCC)(NCS)	O(C[6a]C[6a]2)(CCN)	C(CCHH)(CCH)(CNO)	122.2655	0.090	2	122.2655	0.008	2	122.2655	0.008	2	119.4453	23.864	3	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	2:3:3:	3:3:	4:4:3:	O-2:C-3:C-3:	C[6a]-3:C-3:	C-4:C-4:C-3:	C(OC[6a])(CCC)(CCH)	O(C[6a]C[6a]2)(CCC)	C(CH3)2(CCO)	C(OC[6a])(CCC)(CCH)	O(C[6a]C[6a]2)(CCC)	C(CH3)2(CCO)	117.6680	0.000	1	117.6680	0.000	1	117.6680	0.000	1	117.6680	0.000	1	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	2:3:3:	4:3:	3:1:1:	O-2:C-3:C-3:	P[6]-4:C-3:	C-3:H-1:H-1:	C(OP[6])(CHH)(COO)	O(P[6]O[6]2O)(CCC)	C(CCO)(H)2	C(OP[6])(CHH)(COO)	O(P[6]O[6]2O)(CCC)	C(CCO)(H)2	122.8960	0.000	1	122.8960	0.000	1	122.8960	0.000	1	122.8960	0.000	1	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	2:3:3:	4:3:	3:2:1:	O-2:C-3:C-3:	C[5]-4:C-3:	C-3:O-2:O-1:	C(OC[5])(CCO)(COO)	O(C[5]C[5,5]C[5]H)(CCC)	C(CCO)(OC)(O)	C(OC[5])(CCO)(COO)	O(C[5]C[5,5]C[5]H)(CCC)	C(CCO)(OC)(O)	116.9490	0.000	1	116.9490	0.000	1	116.9490	0.000	1	114.7040	10.080	2	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	2:3:3:	4:3:	3:2:1:	O-2:C-3:C-3:	P[6]-4:C-3:	C-3:O-2:O-1:	C(OP[6])(CHH)(COO)	O(P[6]O[6]2O)(CCC)	C(CCO)(OC)(O)	C(OP[6])(CHH)(COO)	O(P[6]O[6]2O)(CCC)	C(CCO)(OC)(O)	112.4590	0.000	1	112.4590	0.000	1	112.4590	0.000	1	114.7040	10.080	2	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	2:3:3:	4:3:	4:3:2:	O-2:C-3:C-3:	C[5]-4:C-3:	C-4:C-3:O-2:	C(OC[5])(CCO)(COO)	O(C[5]C[5,5]C[5]H)(CCC)	C(CC[5]HH)(CCO)(OH)	C(OC[5])(CCO)(COO)	O(C[5]C[5,5]C[5]H)(CCC)	C(CC[5]HH)(CCO)(OH)	122.2440	0.000	1	122.2440	0.000	1	122.2440	0.000	1	122.2440	0.000	1	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	2:4:3:	3:3:	3:1:1:	O-2:C-4:C-3:	C[6a]-3:C-3:	C-3:H-1:H-1:	C(OC[6a])(CCHP)(CHH)	O(C[6a]C[6a]2)(CCC)	C(CCO)(H)2	C(OC[6a])(CCHP)(CHH)	O(C[6a]C[6a]2)(CCC)	C(CCO)(H)2	124.0740	0.000	1	124.0740	0.000	1	120.2823	10.232	4	120.2823	10.232	4	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	2:4:3:	3:3:	3:1:1:	O-2:C-4:C-3:	C[6a]-3:C-3:	C-3:H-1:H-1:	C(OC[6a])(CHHN)(CHH)	O(C[6a]C[6a]2)(CCC)	C(CCO)(H)2	C(OC[6a])(CHHN)(CHH)	O(C[6a]C[6a]2)(CCC)	C(CCO)(H)2	119.0183	2.401	3	119.0183	5.763	3	120.2823	10.232	4	120.2823	10.232	4	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	2:4:3:	3:3:	3:3:1:	O-2:C-4:C-3:	C[6a]-3:C-3:	C-3:C-3:H-1:	C(OC[6a])(CCFF)(CCH)	O(C[6a]C[6a]2)(CCC)	C(CCF)(CCO)(H)	C(OC[6a])(CCFF)(CCH)	O(C[6a]C[6a]2)(CCC)	C(CCF)(CCO)(H)	124.4465	0.301	4	124.4465	0.090	4	124.0536	0.840	5	124.0536	0.840	5	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	2:4:3:	3:3:	3:3:1:	O-2:C-4:C-3:	C[6a]-3:C-3:	C-3:C-3:H-1:	C(OC[6a])(CCHH)(CCH)	O(C[6a]C[6a]2)(CCC)	C(CCO)(CNO)(H)	C(OC[6a])(CCHH)(CCH)	O(C[6a]C[6a]2)(CCC)	C(CCO)(CNO)(H)	122.4820	0.000	1	122.4820	0.000	1	124.0536	0.840	5	124.0536	0.840	5	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	2:4:3:	3:3:	3:4:3:	O-2:C-4:C-3:	C[6a]-3:C-3:	In-3:C-4:C-3:	C(OC[6a])(CCCH)(CInC)	O(C[6a]C[6a]2)(CCC)	C(InII)(CH3)(CCO)	C(OC[6a])(CCCH)(CInC)	O(C[6a]C[6a]2)(CCC)	C(InII)(CH3)(CCO)	117.2050	0.000	1	117.2050	0.000	1	117.2050	0.000	1	117.2050	0.000	1	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	2:4:3:	3:3:	4:3:1:	O-2:C-4:C-3:	C[6a]-3:C-3:	C-4:C-3:F-1:	C(OC[6a])(CC3)(CCF)	O(C[6a]C[6a]2)(CCC)	C(CC3)(CCO)(F)	C(OC[6a])(CC3)(CCF)	O(C[6a]C[6a]2)(CCC)	C(CC3)(CCO)(F)	115.1060	0.000	1	115.1060	0.000	1	115.1060	0.000	1	117.3255	9.852	2	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	2:4:3:	3:3:	4:3:1:	O-2:C-4:C-3:	C[6a]-3:C-3:	C-4:C-3:I-1:	C(OC[6a])(CC3)(CCI)	O(C[6a]C[6a]2)(CCC)	C(CH3)(CCO)(I)	C(OC[6a])(CC3)(CCI)	O(C[6a]C[6a]2)(CCC)	C(CH3)(CCO)(I)	119.5450	0.000	1	119.5450	0.000	1	119.5450	0.000	1	117.3255	9.852	2	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	2:4:3:	4:3:	3:1:1:	O-2:C-4:C-3:	C[6]-4:C-3:	C-3:H-1:H-1:	C(OC[6])(CH3)(CHH)	O(C[6]C[6,6]C[6]H)(CCC)	C(CCO)(H)2	C(OC[6])(CH3)(CHH)	O(C[6]C[6,6]C[6]H)(CCC)	C(CCO)(H)2	126.4710	0.000	1	126.4710	0.000	1	126.4710	0.000	1	126.4710	0.000	1	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	2:4:3:	6:3:	3:3:1:	O-2:C-4:C-3:	In[5,6,6]-6:C-3:	C-3:C-3:H-1:	C(OIn[5,6,6])(CH3)(CCH)	O(In[5,6,6]N[5,6]2O[6]2Cl)(CCC)	C(CCN)(CCO)(H)	C(OIn[5,6,6])(CH3)(CCH)	O(In[5,6,6]N[5,6]2O[6]2Cl)(CCC)	C(CCN)(CCO)(H)	123.8210	0.000	1	123.8210	0.000	1	123.8210	0.000	1	123.8210	0.000	1	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	2:3:	3:3:1:	C-3:O-2:O-1:	N-2:C-3:	C-3:C-3:H-1:	C(CCH)(ON)(O)	O(NC[6])(CCO)	C(CC[6a]H)(COO)(H)	C(CCH)(ON)(O)	O(NC[6])(CCO)	C(CC[6a]H)(COO)(H)	112.5980	0.000	1	112.5980	0.000	1	112.5980	0.000	1	112.5980	0.000	1	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:1:	3:1:1:	C-3:O-2:O-1:	C-3:D-1:	C-3:O-1:O-1:	C(COO)(OD)(O)	O(CCO)(D)	C(COO)(O)2	C(COO)(OD)(O)	O(CCO)(D)	C(COO)(O)2	116.9320	0.000	1	116.9320	0.000	1	116.9320	0.000	1	113.2862	2.923	145	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:1:	3:1:1:	C-3:O-2:O-1:	C-3:H-1:	C-3:Cl-1:Cl-1:	C(CCl2)(OH)(O)	O(CCO)(H)	C(COO)(Cl)2	C(CCl2)(OH)(O)	O(CCO)(H)	C(COO)(Cl)2	109.5360	0.000	1	109.5360	0.000	1	109.5360	0.000	1	113.2862	2.923	145	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:1:	3:1:1:	C-3:O-2:O-1:	C-3:H-1:	C-3:H-1:H-1:	C(CHH)(OH)(O)	O(CCO)(H)	C(COO)(H)2	C(CHH)(OH)(O)	O(CCO)(H)	C(COO)(H)2	106.5910	5.774	2	106.5910	33.342	2	106.5910	33.342	2	113.2862	2.923	145	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:1:	3:1:1:	C-3:O-2:O-1:	C-3:H-1:	C-3:O-1:O-1:	C(COO)(OH)(O)	O(CCO)(H)	C(COO)(O)2	C(COO)(OH)(O)	O(CCO)(H)	C(COO)(O)2	113.3819	1.387	141	113.3819	1.924	141	113.3819	1.924	141	113.2862	2.923	145	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:1:	3:2:1:	C-3:O-2:O-1:	C-3:H-1:	C-3:O-2:O-1:	C(COO)(OH)(O)	O(CCO)(H)	C(COO)(OH)(O)	C(COO)(OH)(O)	O(CCO)(H)	C(COO)(OH)(O)	112.5383	1.227	125	112.5383	1.505	125	112.5383	1.505	125	112.5383	1.505	125	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:1:	3:2:2:	C-3:O-2:O-1:	C-3:C-1:	C-3:C-2:N-2:	C(CCN)(OC)(O)	O(CCO)(C)	C(COO)(CN)(NC)	C(CCN)(OC)(O)	O(CCO)(C)	C(COO)(CN)(NC)	112.5110	0.000	1	112.5110	0.000	1	112.5110	0.000	1	112.5110	0.000	1	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:1:	3:2:3:	C-3:O-2:O-1:	C-3:H-1:	C-3:O-2:C-3:	C(CCO)(OH)(O)	O(CCO)(H)	C(CC[6a]H)(OC[6a])(COO)	C(CCO)(OH)(O)	O(CCO)(H)	C(CC[6a]H)(OC[6a])(COO)	116.1950	0.000	1	116.1950	0.000	1	116.1950	0.000	1	116.1950	0.000	1	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:1:	3:3:1:	C-3:O-2:H-1:	C-3:H-1:	C-3:C-3:Br-1:	C(CBrC)(OH)(H)	O(CCH)(H)	C(CHO)2(Br)	C(CBrC)(OH)(H)	O(CCH)(H)	C(CHO)2(Br)	125.1190	0.045	2	125.1190	0.002	2	125.1190	0.002	2	115.9113	11.865	687	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:1:	3:3:1:	C-3:O-2:O-1:	C-3:H-1:	C-3:C-3:Br-1:	C(CBrC)(OH)(O)	O(CCO)(H)	C(CCH)(COO)(Br)	C(CBrC)(OH)(O)	O(CCO)(H)	C(CCH)(COO)(Br)	117.5130	0.000	1	117.5130	0.000	1	117.5130	0.000	1	115.9113	11.865	687	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:1:	3:3:1:	C-3:O-2:O-1:	C-3:H-1:	C-3:C-3:Cl-1:	C(CClC)(OH)(O)	O(CCO)(H)	C(CCH)(COO)(Cl)	C(CClC)(OH)(O)	O(CCO)(H)	C(CCH)(COO)(Cl)	112.3010	0.000	1	112.3010	0.000	1	112.3010	0.000	1	115.9113	11.865	687	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:1:	3:3:1:	C-3:O-2:O-1:	C-3:H-1:	C-3:C-3:H-1:	C(CCH)(OH)(O)	O(CCO)(H)	C(CCC)(COO)(H)	C(CCH)(OH)(O)	O(CCO)(H)	C(CCC)(COO)(H)	113.4052	3.425	40	113.4052	11.728	40	115.9347	11.523	660	115.9113	11.865	687	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:1:	3:3:1:	C-3:O-2:O-1:	C-3:H-1:	C-3:C-3:H-1:	C(CCH)(OH)(O)	O(CCO)(H)	C(CCH)(COO)(H)	C(CCH)(OH)(O)	O(CCO)(H)	C(CCH)(COO)(H)	116.7400	3.476	458	116.7400	12.082	458	115.9347	11.523	660	115.9113	11.865	687	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:1:	3:3:1:	C-3:O-2:O-1:	C-3:H-1:	C-3:C-3:H-1:	C(CCH)(OH)(O)	O(CCO)(H)	C(CCI)(COO)(H)	C(CCH)(OH)(O)	O(CCO)(H)	C(CCI)(COO)(H)	112.2410	0.000	1	112.2410	0.000	1	115.9347	11.523	660	115.9113	11.865	687	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:1:	3:3:1:	C-3:O-2:O-1:	C-3:H-1:	C-3:C-3:H-1:	C(CCH)(OH)(O)	O(CCO)(H)	C(CCO)(COO)(H)	C(CCH)(OH)(O)	O(CCO)(H)	C(CCO)(COO)(H)	111.8700	0.000	1	111.8700	0.000	1	115.9347	11.523	660	115.9113	11.865	687	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:1:	3:3:1:	C-3:O-2:O-1:	C-3:H-1:	C-3:C-3:H-1:	C(CCH)(OH)(O)	O(CCO)(H)	C(CC[5]H)(COO)(H)	C(CCH)(OH)(O)	O(CCO)(H)	C(CC[5]H)(COO)(H)	113.1890	0.000	1	113.1890	0.000	1	115.9347	11.523	660	115.9113	11.865	687	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:1:	3:3:1:	C-3:O-2:O-1:	C-3:H-1:	C-3:C-3:H-1:	C(CCH)(OH)(O)	O(CCO)(H)	C(CC[5a]H)(COO)(H)	C(CCH)(OH)(O)	O(CCO)(H)	C(CC[5a]H)(COO)(H)	113.0432	0.810	5	113.0432	0.656	5	115.9347	11.523	660	115.9113	11.865	687	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:1:	3:3:1:	C-3:O-2:O-1:	C-3:H-1:	C-3:C-3:H-1:	C(CCH)(OH)(O)	O(CCO)(H)	C(CC[6]H)(COO)(H)	C(CCH)(OH)(O)	O(CCO)(H)	C(CC[6]H)(COO)(H)	113.1480	1.837	12	113.1480	3.375	12	115.9347	11.523	660	115.9113	11.865	687	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:1:	3:3:1:	C-3:O-2:O-1:	C-3:H-1:	C-3:C-3:H-1:	C(CCH)(OH)(O)	O(CCO)(H)	C(CC[6a]C)(COO)(H)	C(CCH)(OH)(O)	O(CCO)(H)	C(CC[6a]C)(COO)(H)	112.2410	0.760	3	112.2410	0.578	3	115.9347	11.523	660	115.9113	11.865	687	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:1:	3:3:1:	C-3:O-2:O-1:	C-3:H-1:	C-3:C-3:H-1:	C(CCH)(OH)(O)	O(CCO)(H)	C(CC[6a]H)(COO)(H)	C(CCH)(OH)(O)	O(CCO)(H)	C(CC[6a]H)(COO)(H)	114.6823	1.878	118	114.6823	3.528	118	115.9347	11.523	660	115.9113	11.865	687	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:1:	3:3:1:	C-3:O-2:O-1:	C-3:H-1:	C-3:C-3:H-1:	C(CCH)(OH)(O)	O(CCO)(H)	C(CClC)(COO)(H)	C(CCH)(OH)(O)	O(CCO)(H)	C(CClC)(COO)(H)	113.3440	1.288	2	113.3440	1.660	2	115.9347	11.523	660	115.9113	11.865	687	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:1:	3:3:1:	C-3:O-2:O-1:	C-3:H-1:	C-3:C-3:H-1:	C(CCH)(OH)(O)	O(CCO)(H)	C(CHH)(COO)(H)	C(CCH)(OH)(O)	O(CCO)(H)	C(CHH)(COO)(H)	112.7630	0.893	3	112.7630	0.797	3	115.9347	11.523	660	115.9113	11.865	687	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:1:	3:3:1:	C-3:O-2:O-1:	C-3:H-1:	C-3:C-3:H-1:	C(CCH)(OH)(O)	O(CCO)(H)	C(CHI)(COO)(H)	C(CCH)(OH)(O)	O(CCO)(H)	C(CHI)(COO)(H)	114.3970	0.000	1	114.3970	0.000	1	115.9347	11.523	660	115.9113	11.865	687	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:1:	3:3:1:	C-3:O-2:O-1:	C-3:H-1:	C-3:C-3:H-1:	C(CCH)(OH)(O)	O(CCO)(H)	C(CHS)(COO)(H)	C(CCH)(OH)(O)	O(CCO)(H)	C(CHS)(COO)(H)	113.0600	0.652	2	113.0600	0.425	2	115.9347	11.523	660	115.9113	11.865	687	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:1:	3:3:1:	C-3:O-2:O-1:	C-3:H-1:	C-3:C-3:H-1:	C(CCH)(OH)(O)	O(CCO)(H)	C(CN[5]H)(COO)(H)	C(CCH)(OH)(O)	O(CCO)(H)	C(CN[5]H)(COO)(H)	114.3140	0.000	1	114.3140	0.000	1	115.9347	11.523	660	115.9113	11.865	687	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:1:	3:3:1:	C-3:O-2:O-1:	C-3:H-1:	C-3:C-3:H-1:	C(CCH)(OH)(O)	O(CCO)(H)	C(CN[6]C)(COO)(H)	C(CCH)(OH)(O)	O(CCO)(H)	C(CN[6]C)(COO)(H)	113.7013	2.707	12	113.7013	7.328	12	115.9347	11.523	660	115.9113	11.865	687	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:1:	3:3:1:	C-3:O-2:O-1:	C-3:H-1:	C-3:N-3:O-1:	C(CNO)(OH)(O)	O(CCO)(H)	C(COO)(NHH)(O)	C(CNO)(OH)(O)	O(CCO)(H)	C(COO)(NHH)(O)	110.9350	0.000	1	110.9350	0.000	1	110.9350	0.000	1	115.9113	11.865	687	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:1:	3:3:1:	C-3:O-2:O-1:	C-3:H-1:	C[4]-3:C-3:H-1:	C(CC[4]H)(OH)(O)	O(CCO)(H)	C(C[4]C[4]2)(COO)(H)	C(CC[4]H)(OH)(O)	O(CCO)(H)	C(C[4]C[4]2)(COO)(H)	113.9313	0.453	4	113.9313	0.205	4	113.9313	0.205	4	115.9113	11.865	687	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:1:	3:3:1:	C-3:O-2:O-1:	C-3:H-1:	C[5]-3:C-3:H-1:	C(CC[5]H)(OH)(O)	O(CCO)(H)	C(C[5]C[5,5]O[5])(COO)(H)	C(CC[5]H)(OH)(O)	O(CCO)(H)	C(C[5]C[5,5]O[5])(COO)(H)	112.5025	0.162	2	112.5025	0.026	2	114.2653	12.174	4	115.9113	11.865	687	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:1:	3:3:1:	C-3:O-2:O-1:	C-3:H-1:	C[5]-3:C-3:H-1:	C(CC[5]H)(OH)(O)	O(CCO)(H)	C(C[5]C[5]2)(COO)(H)	C(CC[5]H)(OH)(O)	O(CCO)(H)	C(C[5]C[5]2)(COO)(H)	116.0280	4.906	2	116.0280	24.068	2	114.2653	12.174	4	115.9113	11.865	687	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:1:	3:3:1:	C-3:O-2:O-1:	C-3:H-1:	C[5a]-3:C-3:H-1:	C(CC[5a]H)(OH)(O)	O(CCO)(H)	C(C[5a]C[5a,6a]O[5a])(COO)(H)	C(CC[5a]H)(OH)(O)	O(CCO)(H)	C(C[5a]C[5a,6a]O[5a])(COO)(H)	120.6110	0.888	4	120.6110	0.789	4	120.6110	0.789	4	115.9113	11.865	687	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:1:	3:3:1:	C-3:O-2:O-1:	C-3:H-1:	C[6]-3:C-3:H-1:	C(CC[6]H)(OH)(O)	O(CCO)(H)	C(C[6]C[6,6a]C[6])(COO)(H)	C(CC[6]H)(OH)(O)	O(CCO)(H)	C(C[6]C[6,6a]C[6])(COO)(H)	114.3138	3.874	5	114.3138	15.011	5	113.9152	12.962	6	115.9113	11.865	687	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:1:	3:3:1:	C-3:O-2:O-1:	C-3:H-1:	C[6]-3:C-3:H-1:	C(CC[6]H)(OH)(O)	O(CCO)(H)	C(C[6]C[6]2)(COO)(H)	C(CC[6]H)(OH)(O)	O(CCO)(H)	C(C[6]C[6]2)(COO)(H)	111.9220	0.000	1	111.9220	0.000	1	113.9152	12.962	6	115.9113	11.865	687	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:1:	3:3:1:	C-3:O-2:O-1:	C-3:H-1:	C[6a]-3:C-3:O-1:	C(CC[6a]O)(OH)(O)	O(CCO)(H)	C(C[6a]C[6a]2)(COO)(O)	C(CC[6a]O)(OH)(O)	O(CCO)(H)	C(C[6a]C[6a]2)(COO)(O)	110.9753	0.428	3	110.9753	0.183	3	110.9753	0.183	3	115.9113	11.865	687	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:1:	3:3:1:	C-3:O-2:O-1:	C-3:H-1:	N-3:C-3:O-1:	C(CNO)(OH)(O)	O(CCO)(H)	C(NC[6a]H)(COO)(O)	C(CNO)(OH)(O)	O(CCO)(H)	C(NC[6a]H)(COO)(O)	111.5520	0.000	1	111.5520	0.000	1	111.5520	0.000	1	115.9113	11.865	687	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:1:	3:3:2:	C-3:O-2:O-1:	C-3:H-1:	C-3:C-3:C-2:	C(CCC)(OH)(O)	O(CCO)(H)	C(CC[5a]H)(COO)(CN)	C(CCC)(OH)(O)	O(CCO)(H)	C(CC[5a]H)(COO)(CN)	114.0770	1.293	2	114.0770	1.671	2	114.6026	3.844	11	115.3180	2.725	26	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:1:	3:3:2:	C-3:O-2:O-1:	C-3:H-1:	C-3:C-3:C-2:	C(CCC)(OH)(O)	O(CCO)(H)	C(CC[6a]H)(COO)(CN)	C(CCC)(OH)(O)	O(CCO)(H)	C(CC[6a]H)(COO)(CN)	114.5921	2.234	8	114.5921	4.989	8	114.6026	3.844	11	115.3180	2.725	26	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:1:	3:3:2:	C-3:O-2:O-1:	C-3:H-1:	C-3:C-3:C-2:	C(CCC)(OH)(O)	O(CCO)(H)	C(COO)2(CN)	C(CCC)(OH)(O)	O(CCO)(H)	C(COO)2(CN)	115.7380	0.000	1	115.7380	0.000	1	114.6026	3.844	11	115.3180	2.725	26	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:1:	3:3:2:	C-3:O-2:O-1:	C-3:H-1:	C-3:C-3:N-2:	C(CCN)(OH)(O)	O(CCO)(H)	C(CCO)(COO)(NN)	C(CCN)(OH)(O)	O(CCO)(H)	C(CCO)(COO)(NN)	117.2528	0.263	4	117.2528	0.069	4	117.2528	0.069	4	115.3180	2.725	26	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:1:	3:3:2:	C-3:O-2:O-1:	C-3:H-1:	C-3:C-3:O-2:	C(CCO)(OH)(O)	O(CCO)(H)	C(CC[5a]H)(COO)(OH)	C(CCO)(OH)(O)	O(CCO)(H)	C(CC[5a]H)(COO)(OH)	115.5645	0.974	2	115.5645	0.948	2	115.2829	1.051	8	115.3180	2.725	26	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:1:	3:3:2:	C-3:O-2:O-1:	C-3:H-1:	C-3:C-3:O-2:	C(CCO)(OH)(O)	O(CCO)(H)	C(CC[6a]H)(COO)(OH)	C(CCO)(OH)(O)	O(CCO)(H)	C(CC[6a]H)(COO)(OH)	115.3950	1.110	5	115.3950	1.231	5	115.2829	1.051	8	115.3180	2.725	26	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:1:	3:3:2:	C-3:O-2:O-1:	C-3:H-1:	C-3:C-3:O-2:	C(CCO)(OH)(O)	O(CCO)(H)	C(CHH)(COO)(OP)	C(CCO)(OH)(O)	O(CCO)(H)	C(CHH)(COO)(OP)	114.1590	0.000	1	114.1590	0.000	1	115.2829	1.051	8	115.3180	2.725	26	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:1:	3:3:2:	C-3:O-2:O-1:	C-3:H-1:	C-3:C-3:S-2:	C(CCS)(OH)(O)	O(CCO)(H)	C(CC[5a]H)(COO)(SAg)	C(CCS)(OH)(O)	O(CCO)(H)	C(CC[5a]H)(COO)(SAg)	115.8500	0.000	1	115.8500	0.000	1	115.8500	0.000	1	115.3180	2.725	26	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:1:	3:3:2:	C-3:O-2:O-1:	C-3:H-1:	C[6a]-3:C-3:C-2:	C(CC[6a]C)(OH)(O)	O(CCO)(H)	C(C[6a]C[6a]2)(COO)(CC)	C(CC[6a]C)(OH)(O)	O(CCO)(H)	C(C[6a]C[6a]2)(COO)(CC)	114.4770	0.000	1	114.4770	0.000	1	114.4770	0.000	1	115.3180	2.725	26	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:1:	3:3:2:	C-3:O-2:O-1:	C-3:H-1:	C[6a]-3:C-3:N-2:	C(CC[6a]N)(OH)(O)	O(CCO)(H)	C(C[6a]C[6a]2)(COO)(NO)	C(CC[6a]N)(OH)(O)	O(CCO)(H)	C(C[6a]C[6a]2)(COO)(NO)	116.0380	0.000	1	116.0380	0.000	1	116.0380	0.000	1	115.3180	2.725	26	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:1:	3:3:3:	C-3:O-2:H-1:	C-3:H-1:	C-3:C-3:N-3:	C(CCN)(OH)(H)	O(CCH)(H)	C(CHO)2(NCH)	C(CCN)(OH)(H)	O(CCH)(H)	C(CHO)2(NCH)	130.7900	0.000	1	130.7900	0.000	1	130.7900	0.000	1	116.1433	11.878	49	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:1:	3:3:3:	C-3:O-2:H-1:	C-3:H-1:	C[6a]-3:C-3:C-3:	C(CC[6a]C)(OH)(H)	O(CCH)(H)	C(C[6a]C[6a]2)(CC[5a]O)(CHO)	C(CC[6a]C)(OH)(H)	O(CCH)(H)	C(C[6a]C[6a]2)(CC[5a]O)(CHO)	125.1155	1.385	2	125.1155	1.919	2	125.1155	1.919	2	116.1433	11.878	49	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:1:	3:3:3:	C-3:O-2:O-1:	C-3:H-1:	C-3:C-3:C-3:	C(CCC)(OH)(O)	O(CCO)(H)	C(CC[5a]H)(COO)2	C(CCC)(OH)(O)	O(CCO)(H)	C(CC[5a]H)(COO)2	115.6370	0.000	1	115.6370	0.000	1	116.6986	3.570	8	116.1433	11.878	49	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:1:	3:3:3:	C-3:O-2:O-1:	C-3:H-1:	C-3:C-3:C-3:	C(CCC)(OH)(O)	O(CCO)(H)	C(CC[6a]C)(CCH)(COO)	C(CCC)(OH)(O)	O(CCO)(H)	C(CC[6a]C)(CCH)(COO)	115.8970	0.000	1	115.8970	0.000	1	116.6986	3.570	8	116.1433	11.878	49	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:1:	3:3:3:	C-3:O-2:O-1:	C-3:H-1:	C-3:C-3:C-3:	C(CCC)(OH)(O)	O(CCO)(H)	C(CC[6a]H)(CCC)(COO)	C(CCC)(OH)(O)	O(CCO)(H)	C(CC[6a]H)(CCC)(COO)	115.1945	3.474	2	115.1945	12.069	2	116.6986	3.570	8	116.1433	11.878	49	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:1:	3:3:3:	C-3:O-2:O-1:	C-3:H-1:	C-3:C-3:C-3:	C(CCC)(OH)(O)	O(CCO)(H)	C(CC[6a]H)(CCO)(COO)	C(CCC)(OH)(O)	O(CCO)(H)	C(CC[6a]H)(CCO)(COO)	117.9330	0.000	1	117.9330	0.000	1	116.6986	3.570	8	116.1433	11.878	49	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:1:	3:3:3:	C-3:O-2:O-1:	C-3:H-1:	C-3:C-3:C-3:	C(CCC)(OH)(O)	O(CCO)(H)	C(CHN)(COO)2	C(CCC)(OH)(O)	O(CCO)(H)	C(CHN)(COO)2	117.9110	0.589	3	117.9110	0.347	3	116.6986	3.570	8	116.1433	11.878	49	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:1:	3:3:3:	C-3:O-2:O-1:	C-3:H-1:	C-3:C-3:N-3:	C(CCN)(OH)(O)	O(CCO)(H)	C(CC[6a]D)(COO)(NCH)	C(CCN)(OH)(O)	O(CCO)(H)	C(CC[6a]D)(COO)(NCH)	114.9350	0.000	1	114.9350	0.000	1	114.6245	5.067	4	116.1433	11.878	49	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:1:	3:3:3:	C-3:O-2:O-1:	C-3:H-1:	C-3:C-3:N-3:	C(CCN)(OH)(O)	O(CCO)(H)	C(CC[6a]H)(COO)(NCH)	C(CCN)(OH)(O)	O(CCO)(H)	C(CC[6a]H)(COO)(NCH)	114.5210	2.745	3	114.5210	7.536	3	114.6245	5.067	4	116.1433	11.878	49	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:1:	3:3:3:	C-3:O-2:O-1:	C-3:H-1:	C[5]-3:C-3:C-3:	C(CC[5]C)(OH)(O)	O(CCO)(H)	C(C[5]C[5,6a]2)(CC[5]C)(COO)	C(CC[5]C)(OH)(O)	O(CCO)(H)	C(C[5]C[5,6a]2)(CC[5]C)(COO)	113.1440	0.924	5	113.1440	0.854	5	113.1440	0.854	5	116.1433	11.878	49	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:1:	3:3:3:	C-3:O-2:O-1:	C-3:H-1:	C[5]-3:C[6a]-3:C-3:	C(CC[6a]C[5])(OH)(O)	O(CCO)(H)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(COO)	C(CC[6a]C[5])(OH)(O)	O(CCO)(H)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(COO)	113.6450	0.000	1	113.6450	0.000	1	115.0450	1.896	3	116.1433	11.878	49	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:1:	3:3:3:	C-3:O-2:O-1:	C-3:H-1:	C[5]-3:C[6a]-3:C-3:	C(CC[6a]C[5])(OH)(O)	O(CCO)(H)	C(C[5]C[5]O[5])(C[6a]C[6a]2)(COO)	C(CC[6a]C[5])(OH)(O)	O(CCO)(H)	C(C[5]C[5]O[5])(C[6a]C[6a]2)(COO)	115.7450	0.923	2	115.7450	0.853	2	115.0450	1.896	3	116.1433	11.878	49	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:1:	3:3:3:	C-3:O-2:O-1:	C-3:H-1:	C[6]-3:C[6a]-3:C-3:	C(CC[6a]C[6])(OH)(O)	O(CCO)(H)	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(COO)	C(CC[6a]C[6])(OH)(O)	O(CCO)(H)	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(COO)	115.7985	0.725	2	115.7985	0.525	2	115.7985	0.525	2	116.1433	11.878	49	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:1:	3:3:3:	C-3:O-2:O-1:	C-3:H-1:	C[6a]-3:C-3:C-3:	C(CC[6a]C)(OH)(O)	O(CCO)(H)	C(C[6a]C[6a,6a]C[6a])(CC[6a]H)(COO)	C(CC[6a]C)(OH)(O)	O(CCO)(H)	C(C[6a]C[6a,6a]C[6a])(CC[6a]H)(COO)	120.9700	0.000	1	120.9700	0.000	1	115.7982	3.356	22	116.1433	11.878	49	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:1:	3:3:3:	C-3:O-2:O-1:	C-3:H-1:	C[6a]-3:C-3:C-3:	C(CC[6a]C)(OH)(O)	O(CCO)(H)	C(C[6a]C[6a]2)(CCH)(COO)	C(CC[6a]C)(OH)(O)	O(CCO)(H)	C(C[6a]C[6a]2)(CCH)(COO)	115.4190	0.157	2	115.4190	0.025	2	115.7982	3.356	22	116.1433	11.878	49	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:1:	3:3:3:	C-3:O-2:O-1:	C-3:H-1:	C[6a]-3:C-3:C-3:	C(CC[6a]C)(OH)(O)	O(CCO)(H)	C(C[6a]C[6a]2)(CC[5a]H)(COO)	C(CC[6a]C)(OH)(O)	O(CCO)(H)	C(C[6a]C[6a]2)(CC[5a]H)(COO)	115.9440	0.140	2	115.9440	0.020	2	115.7982	3.356	22	116.1433	11.878	49	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:1:	3:3:3:	C-3:O-2:O-1:	C-3:H-1:	C[6a]-3:C-3:C-3:	C(CC[6a]C)(OH)(O)	O(CCO)(H)	C(C[6a]C[6a]2)(CC[6a]C)(COO)	C(CC[6a]C)(OH)(O)	O(CCO)(H)	C(C[6a]C[6a]2)(CC[6a]C)(COO)	112.7170	0.000	1	112.7170	0.000	1	115.7982	3.356	22	116.1433	11.878	49	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:1:	3:3:3:	C-3:O-2:O-1:	C-3:H-1:	C[6a]-3:C-3:C-3:	C(CC[6a]C)(OH)(O)	O(CCO)(H)	C(C[6a]C[6a]2)(CC[6a]H)(COO)	C(CC[6a]C)(OH)(O)	O(CCO)(H)	C(C[6a]C[6a]2)(CC[6a]H)(COO)	115.7415	1.540	15	115.7415	2.372	15	115.7982	3.356	22	116.1433	11.878	49	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:1:	3:3:3:	C-3:O-2:O-1:	C-3:H-1:	C[6a]-3:C-3:C-3:	C(CC[6a]C)(OH)(O)	O(CCO)(H)	C(C[6a]C[6a]2)(CHS)(COO)	C(CC[6a]C)(OH)(O)	O(CCO)(H)	C(C[6a]C[6a]2)(CHS)(COO)	115.0260	0.000	1	115.0260	0.000	1	115.7982	3.356	22	116.1433	11.878	49	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:1:	3:3:3:	C-3:O-2:O-1:	C-3:H-1:	C[6a]-3:C[5]-3:C-3:	C(CC[6a]C[5])(OH)(O)	O(CCO)(H)	C(C[6a]C[6a]2)(C[5]C[5]2)(COO)	C(CC[6a]C[5])(OH)(O)	O(CCO)(H)	C(C[6a]C[6a]2)(C[5]C[5]2)(COO)	114.8290	0.000	1	114.8290	0.000	1	114.8290	0.000	1	116.1433	11.878	49	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:1:	3:3:3:	C-3:O-2:O-1:	C-3:H-1:	N[6a]-3:C-3:C-3:	C(CN[6a]C)(OH)(O)	O(CCO)(H)	C(N[6a]C[6a]2)(CC[6a]H)(COO)	C(CN[6a]C)(OH)(O)	O(CCO)(H)	C(N[6a]C[6a]2)(CC[6a]H)(COO)	113.0740	0.000	1	113.0740	0.000	1	113.0740	0.000	1	116.1433	11.878	49	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:1:	3:4:3:	C-3:O-2:O-1:	C-3:H-1:	C-3:C-4:C-3:	C(CCC)(OH)(O)	O(CCO)(H)	C(CC[4]H)(CH3)(COO)	C(CCC)(OH)(O)	O(CCO)(H)	C(CC[4]H)(CH3)(COO)	113.3545	2.080	2	113.3545	4.325	2	115.8461	3.283	18	115.7732	2.988	20	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:1:	3:4:3:	C-3:O-2:O-1:	C-3:H-1:	C-3:C-4:C-3:	C(CCC)(OH)(O)	O(CCO)(H)	C(CC[5]C)(CCCH)(COO)	C(CCC)(OH)(O)	O(CCO)(H)	C(CC[5]C)(CCCH)(COO)	115.7110	0.000	1	115.7110	0.000	1	115.8461	3.283	18	115.7732	2.988	20	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:1:	3:4:3:	C-3:O-2:O-1:	C-3:H-1:	C-3:C-4:C-3:	C(CCC)(OH)(O)	O(CCO)(H)	C(CC[6]H)(CCHH)(COO)	C(CCC)(OH)(O)	O(CCO)(H)	C(CC[6]H)(CCHH)(COO)	116.6173	1.882	3	116.6173	3.543	3	115.8461	3.283	18	115.7732	2.988	20	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:1:	3:4:3:	C-3:O-2:O-1:	C-3:H-1:	C-3:C-4:C-3:	C(CCC)(OH)(O)	O(CCO)(H)	C(CC[6a]H)(CCCH)(COO)	C(CCC)(OH)(O)	O(CCO)(H)	C(CC[6a]H)(CCCH)(COO)	112.8790	0.000	1	112.8790	0.000	1	115.8461	3.283	18	115.7732	2.988	20	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:1:	3:4:3:	C-3:O-2:O-1:	C-3:H-1:	C-3:C-4:C-3:	C(CCC)(OH)(O)	O(CCO)(H)	C(CC[6a]H)(CCHH)(COO)	C(CCC)(OH)(O)	O(CCO)(H)	C(CC[6a]H)(CCHH)(COO)	117.1250	1.117	3	117.1250	1.247	3	115.8461	3.283	18	115.7732	2.988	20	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:1:	3:4:3:	C-3:O-2:O-1:	C-3:H-1:	C-3:C-4:C-3:	C(CCC)(OH)(O)	O(CCO)(H)	C(CC[6a]H)(CClHH)(COO)	C(CCC)(OH)(O)	O(CCO)(H)	C(CC[6a]H)(CClHH)(COO)	113.6800	0.000	1	113.6800	0.000	1	115.8461	3.283	18	115.7732	2.988	20	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:1:	3:4:3:	C-3:O-2:O-1:	C-3:H-1:	C-3:C-4:C-3:	C(CCC)(OH)(O)	O(CCO)(H)	C(CC[6a]H)(CH3)(COO)	C(CCC)(OH)(O)	O(CCO)(H)	C(CC[6a]H)(CH3)(COO)	116.6475	0.993	6	116.6475	0.986	6	115.8461	3.283	18	115.7732	2.988	20	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:1:	3:4:3:	C-3:O-2:O-1:	C-3:H-1:	C-3:C-4:C-3:	C(CCC)(OH)(O)	O(CCO)(H)	C(CC[6a]H)(CHHP)(COO)	C(CCC)(OH)(O)	O(CCO)(H)	C(CC[6a]H)(CHHP)(COO)	115.1380	0.000	1	115.1380	0.000	1	115.8461	3.283	18	115.7732	2.988	20	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:1:	3:4:3:	C-3:O-2:O-1:	C-3:H-1:	C[5]-3:C-4:C-3:	C(CC[5]C)(OH)(O)	O(CCO)(H)	C(C[5]C[5]2)(CH3)(COO)	C(CC[5]C)(OH)(O)	O(CCO)(H)	C(C[5]C[5]2)(CH3)(COO)	115.1170	0.064	2	115.1170	0.004	2	115.1170	0.004	2	115.7732	2.988	20	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:1:	4:3:1:	C-3:O-2:O-1:	C-3:H-1:	C-4:C-3:O-1:	C(CCO)(OH)(O)	O(CCO)(H)	C(CH3)(COO)(O)	C(CCO)(OH)(O)	O(CCO)(H)	C(CH3)(COO)(O)	113.2340	0.000	1	113.2340	0.000	1	113.2340	0.000	1	113.2340	0.000	1	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:1:	4:3:2:	C-3:O-2:O-1:	C-3:H-1:	C-4:C-3:C-2:	C(CCC)(OH)(O)	O(CCO)(H)	C(CCHH)(COO)(CC)	C(CCC)(OH)(O)	O(CCO)(H)	C(CCHH)(COO)(CC)	115.7555	1.040	2	115.7555	1.082	2	115.7555	1.082	2	116.3090	4.006	10	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:1:	4:3:2:	C-3:O-2:O-1:	C-3:H-1:	C-4:C-3:N-2:	C(CCN)(OH)(O)	O(CCO)(H)	C(CCHH)(COO)(NN)	C(CCN)(OH)(O)	O(CCO)(H)	C(CCHH)(COO)(NN)	116.4770	3.271	2	116.4770	10.700	2	116.4474	4.887	8	116.3090	4.006	10	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:1:	4:3:2:	C-3:O-2:O-1:	C-3:H-1:	C-4:C-3:N-2:	C(CCN)(OH)(O)	O(CCO)(H)	C(CH3)(COO)(NN)	C(CCN)(OH)(O)	O(CCO)(H)	C(CH3)(COO)(NN)	116.4375	2.168	6	116.4375	4.702	6	116.4474	4.887	8	116.3090	4.006	10	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:1:	4:3:3:	C-3:O-2:O-1:	C-3:H-1:	C-4:C-3:C-3:	C(CCC)(OH)(O)	O(CCO)(H)	C(CC3)(CCH)(COO)	C(CCC)(OH)(O)	O(CCO)(H)	C(CC3)(CCH)(COO)	116.9280	0.000	1	116.9280	0.000	1	114.8427	3.832	58	114.7203	3.424	73	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:1:	4:3:3:	C-3:O-2:O-1:	C-3:H-1:	C-4:C-3:C-3:	C(CCC)(OH)(O)	O(CCO)(H)	C(CCCH)(CHH)(COO)	C(CCC)(OH)(O)	O(CCO)(H)	C(CCCH)(CHH)(COO)	114.1820	0.188	2	114.1820	0.035	2	114.8427	3.832	58	114.7203	3.424	73	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:1:	4:3:3:	C-3:O-2:O-1:	C-3:H-1:	C-4:C-3:C-3:	C(CCC)(OH)(O)	O(CCO)(H)	C(CCHH)(CCH)(COO)	C(CCC)(OH)(O)	O(CCO)(H)	C(CCHH)(CCH)(COO)	117.3755	2.665	6	117.3755	7.104	6	114.8427	3.832	58	114.7203	3.424	73	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:1:	4:3:3:	C-3:O-2:O-1:	C-3:H-1:	C-4:C-3:C-3:	C(CCC)(OH)(O)	O(CCO)(H)	C(CCHH)(CHH)(COO)	C(CCC)(OH)(O)	O(CCO)(H)	C(CCHH)(CHH)(COO)	114.9398	0.577	8	114.9398	0.333	8	114.8427	3.832	58	114.7203	3.424	73	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:1:	4:3:3:	C-3:O-2:O-1:	C-3:H-1:	C-4:C-3:C-3:	C(CCC)(OH)(O)	O(CCO)(H)	C(CCHH)(CHN)(COO)	C(CCC)(OH)(O)	O(CCO)(H)	C(CCHH)(CHN)(COO)	113.8833	1.137	3	113.8833	1.292	3	114.8427	3.832	58	114.7203	3.424	73	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:1:	4:3:3:	C-3:O-2:O-1:	C-3:H-1:	C-4:C-3:C-3:	C(CCC)(OH)(O)	O(CCO)(H)	C(CCHO)(CCH)(COO)	C(CCC)(OH)(O)	O(CCO)(H)	C(CCHO)(CCH)(COO)	116.0725	0.177	2	116.0725	0.032	2	114.8427	3.832	58	114.7203	3.424	73	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:1:	4:3:3:	C-3:O-2:O-1:	C-3:H-1:	C-4:C-3:C-3:	C(CCC)(OH)(O)	O(CCO)(H)	C(CC[5a]HH)(CC[5]H)(COO)	C(CCC)(OH)(O)	O(CCO)(H)	C(CC[5a]HH)(CC[5]H)(COO)	116.5290	0.000	1	116.5290	0.000	1	114.8427	3.832	58	114.7203	3.424	73	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:1:	4:3:3:	C-3:O-2:O-1:	C-3:H-1:	C-4:C-3:C-3:	C(CCC)(OH)(O)	O(CCO)(H)	C(CC[5a]HH)(CHH)(COO)	C(CCC)(OH)(O)	O(CCO)(H)	C(CC[5a]HH)(CHH)(COO)	114.1345	0.711	2	114.1345	0.505	2	114.8427	3.832	58	114.7203	3.424	73	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:1:	4:3:3:	C-3:O-2:O-1:	C-3:H-1:	C-4:C-3:C-3:	C(CCC)(OH)(O)	O(CCO)(H)	C(CC[6a]HH)(CHH)(COO)	C(CCC)(OH)(O)	O(CCO)(H)	C(CC[6a]HH)(CHH)(COO)	115.4540	0.000	1	115.4540	0.000	1	114.8427	3.832	58	114.7203	3.424	73	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:1:	4:3:3:	C-3:O-2:O-1:	C-3:H-1:	C-4:C-3:C-3:	C(CCC)(OH)(O)	O(CCO)(H)	C(CC[6a]HN)(CCH)(COO)	C(CCC)(OH)(O)	O(CCO)(H)	C(CC[6a]HN)(CCH)(COO)	114.8720	0.000	1	114.8720	0.000	1	114.8427	3.832	58	114.7203	3.424	73	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:1:	4:3:3:	C-3:O-2:O-1:	C-3:H-1:	C-4:C-3:C-3:	C(CCC)(OH)(O)	O(CCO)(H)	C(CH3)(CCH)(COO)	C(CCC)(OH)(O)	O(CCO)(H)	C(CH3)(CCH)(COO)	114.1455	2.125	23	114.1455	4.515	23	114.8427	3.832	58	114.7203	3.424	73	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:1:	4:3:3:	C-3:O-2:O-1:	C-3:H-1:	C-4:C-3:C-3:	C(CCC)(OH)(O)	O(CCO)(H)	C(CH3)(CHH)(COO)	C(CCC)(OH)(O)	O(CCO)(H)	C(CH3)(CHH)(COO)	116.3040	0.000	1	116.3040	0.000	1	114.8427	3.832	58	114.7203	3.424	73	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:1:	4:3:3:	C-3:O-2:O-1:	C-3:H-1:	C-4:C-3:C-3:	C(CCC)(OH)(O)	O(CCO)(H)	C(CHHP)(CHH)(COO)	C(CCC)(OH)(O)	O(CCO)(H)	C(CHHP)(CHH)(COO)	115.0343	1.397	3	115.0343	1.951	3	114.8427	3.832	58	114.7203	3.424	73	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:1:	4:3:3:	C-3:O-2:O-1:	C-3:H-1:	C-4:C-3:C-3:	C(CCC)(OH)(O)	O(CCO)(H)	C(CN[5a]CH)(CC[6a]H)(COO)	C(CCC)(OH)(O)	O(CCO)(H)	C(CN[5a]CH)(CC[6a]H)(COO)	114.0345	1.202	4	114.0345	1.445	4	114.8427	3.832	58	114.7203	3.424	73	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:1:	4:3:3:	C-3:O-2:O-1:	C-3:H-1:	C[5]-4:C-3:C-3:	C(CC[5]C)(OH)(O)	O(CCO)(H)	C(C[5]C[5]2H)(CHH)(COO)	C(CC[5]C)(OH)(O)	O(CCO)(H)	C(C[5]C[5]2H)(CHH)(COO)	117.6650	0.000	1	117.6650	0.000	1	117.6650	0.000	1	114.7203	3.424	73	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:1:	4:3:3:	C-3:O-2:O-1:	C-3:H-1:	C[6]-4:C-3:C-3:	C(CC[6]C)(OH)(O)	O(CCO)(H)	C(C[6]C[6]2H)(CHH)(COO)	C(CC[6]C)(OH)(O)	O(CCO)(H)	C(C[6]C[6]2H)(CHH)(COO)	113.9134	0.979	12	113.9134	0.958	12	114.0029	0.877	14	114.7203	3.424	73	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:1:	4:3:3:	C-3:O-2:O-1:	C-3:H-1:	C[6]-4:C-3:C-3:	C(CC[6]C)(OH)(O)	O(CCO)(H)	C(C[6]C[6]O[6]H)(CHH)(COO)	C(CC[6]C)(OH)(O)	O(CCO)(H)	C(C[6]C[6]O[6]H)(CHH)(COO)	114.5400	0.445	2	114.5400	0.198	2	114.0029	0.877	14	114.7203	3.424	73	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:1:	4:4:3:	C-3:O-2:O-1:	C-3:H-1:	C-4:N-4:C-3:	C(CCN)(OH)(O)	O(CCO)(H)	C(CCHH)(NH3)(COO)	C(CCN)(OH)(O)	O(CCO)(H)	C(CCHH)(NH3)(COO)	113.1070	0.000	1	113.1070	0.000	1	113.1070	0.000	1	116.6825	25.568	2	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:1:	4:4:3:	C-3:O-2:O-1:	C-3:H-1:	P-4:P-4:C-3:	C(CPP)(OH)(O)	O(CCO)(H)	C(PC[6a]2Ir)2(COO)	C(CPP)(OH)(O)	O(CCO)(H)	C(PC[6a]2Ir)2(COO)	120.2580	0.000	1	120.2580	0.000	1	120.2580	0.000	1	116.6825	25.568	2	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:2:	3:3:1:	C-3:O-2:H-1:	C-3:N-2:	C-3:C-3:H-1:	C(CCH)(ON)(H)	O(CCH)(NC)	C(CHO)(COO)(H)	C(CCH)(ON)(H)	O(CCH)(NC)	C(CHO)(COO)(H)	123.6310	5.284	2	123.6310	27.915	2	123.6310	27.915	2	116.4357	78.536	4	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:2:	3:3:1:	C-3:O-2:O-1:	C-3:N-2:	C-3:C-3:H-1:	C(CCH)(ON)(O)	O(CCO)(NC)	C(CC[6a]H)(COO)(H)	C(CCH)(ON)(O)	O(CCO)(NC)	C(CC[6a]H)(COO)(H)	109.7910	0.000	1	109.7910	0.000	1	109.2405	0.606	2	116.4357	78.536	4	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:2:	3:3:1:	C-3:O-2:O-1:	C-3:N-2:	C-3:C-3:H-1:	C(CCH)(ON)(O)	O(CCO)(NC)	C(CHH)(COO)(H)	C(CCH)(ON)(O)	O(CCO)(NC)	C(CHH)(COO)(H)	108.6900	0.000	1	108.6900	0.000	1	109.2405	0.606	2	116.4357	78.536	4	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:3:	3:1:1:	C-3:O-2:H-1:	C-3:C-3:	C-3:H-1:H-1:	C(CHH)(OC)(H)	O(CCH)(CCO)	C(CHO)(H)2	C(CHH)(OC)(H)	O(CCH)(CCO)	C(CHO)(H)2	115.8570	0.000	1	115.8570	0.000	1	116.9342	16.630	4	116.9342	16.630	4	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:3:	3:1:1:	C-3:O-2:H-1:	C-3:C-3:	C-3:H-1:H-1:	C(CHH)(OC)(H)	O(CC[6a]C)(CCH)	C(CHO)(H)2	C(CHH)(OC)(H)	O(CC[6a]C)(CCH)	C(CHO)(H)2	120.1255	0.465	2	120.1255	0.216	2	116.9342	16.630	4	116.9342	16.630	4	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:3:	3:1:1:	C-3:O-2:H-1:	C-3:C-3:	C-3:H-1:H-1:	C(CHH)(OC)(H)	O(CC[6a]O)(CCH)	C(CHO)(H)2	C(CHH)(OC)(H)	O(CC[6a]O)(CCH)	C(CHO)(H)2	111.6290	0.000	1	111.6290	0.000	1	116.9342	16.630	4	116.9342	16.630	4	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:3:	3:2:1:	C-3:O-2:H-1:	C-3:C-3:	C-3:O-2:H-1:	C(CHO)(OC)(H)	O(CCH)2	C(CHO)(OC)(H)	C(CHO)(OC)(H)	O(CCH)2	C(CHO)(OC)(H)	115.8740	0.000	2	115.8740	0.000	2	115.8740	0.000	2	115.8740	0.000	2	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:3:	3:2:3:	C-3:O-2:H-1:	C-3:C-3:	C[6a]-3:I-2:C-3:	C(CC[6a]I)(OC)(H)	O(CC[6a]O)(CCH)	C(C[6a]C[6a]2)(IC[6a])(CHO)	C(CC[6a]I)(OC)(H)	O(CC[6a]O)(CCH)	C(C[6a]C[6a]2)(IC[6a])(CHO)	118.3110	0.000	1	118.3110	0.000	1	118.3110	0.000	1	118.3110	0.000	1	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:3:	3:3:1:	C-3:O-2:Cl-1:	C-3:C-3:	C-3:C-3:H-1:	C(CCH)(OC)(Cl)	O(CClC)(CCO)	C(CClO)(CCC)(H)	C(CCH)(OC)(Cl)	O(CClC)(CCO)	C(CClO)(CCC)(H)	119.2780	0.000	1	119.2780	0.000	1	121.1690	7.152	2	116.5114	25.049	13	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:3:	3:3:1:	C-3:O-2:Cl-1:	C-3:C-3:	C-3:C-3:H-1:	C(CCH)(OC)(Cl)	O(CClC)(CCO)	C(CClO)(CCH)(H)	C(CCH)(OC)(Cl)	O(CClC)(CCO)	C(CClO)(CCH)(H)	123.0600	0.000	1	123.0600	0.000	1	121.1690	7.152	2	116.5114	25.049	13	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:3:	3:3:1:	C-3:O-2:H-1:	C-3:C-3:	C-3:C-3:H-1:	C(CCH)(OC)(H)	O(CCH)(CNO)	C(CHH)(CHO)(H)	C(CCH)(OC)(H)	O(CCH)(CNO)	C(CHH)(CHO)(H)	113.9570	0.000	1	113.9570	0.000	1	118.6993	6.906	6	116.5114	25.049	13	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:3:	3:3:1:	C-3:O-2:H-1:	C-3:C-3:	C-3:C-3:H-1:	C(CCH)(OC)(H)	O(CCH)2	C(CCO)(CHO)(H)	C(CCH)(OC)(H)	O(CCH)2	C(CCO)(CHO)(H)	119.0637	0.489	4	119.0637	0.239	4	118.6993	6.906	6	116.5114	25.049	13	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:3:	3:3:1:	C-3:O-2:H-1:	C-3:C-3:	C-3:C-3:H-1:	C(CCH)(OC)(H)	O(CCH)2	C(CHO)(COO)(H)	C(CCH)(OC)(H)	O(CCH)2	C(CHO)(COO)(H)	121.9840	0.000	1	121.9840	0.000	1	118.6993	6.906	6	116.5114	25.049	13	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:3:	3:3:1:	C-3:O-2:O-1:	C-3:C-3:	C-3:C-3:H-1:	C(CCH)(OC)(O)	O(CCH)(CCO)	C(CCC)(COO)(H)	C(CCH)(OC)(O)	O(CCH)(CCO)	C(CCC)(COO)(H)	110.9960	5.329	2	110.9960	28.396	2	113.5653	34.002	3	116.5114	25.049	13	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:3:	3:3:1:	C-3:O-2:O-1:	C-3:C-3:	C-3:C-3:H-1:	C(CCH)(OC)(O)	O(CCO)2	C(CCC)(COO)(H)	C(CCH)(OC)(O)	O(CCO)2	C(CCC)(COO)(H)	118.7040	0.000	1	118.7040	0.000	1	113.5653	34.002	3	116.5114	25.049	13	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:3:	3:3:1:	C-3:O-2:O-1:	C[6a]-3:C-3:	C[4]-3:C-3:H-1:	C(CC[4]H)(OC[6a])(O)	O(C[6a]C[6a]2)(CCO)	C(C[4]C[4]2)(COO)(H)	C(CC[4]H)(OC[6a])(O)	O(C[6a]C[6a]2)(CCO)	C(C[4]C[4]2)(COO)(H)	110.0350	0.000	1	110.0350	0.000	1	110.0350	0.000	1	116.5114	25.049	13	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:3:	3:3:1:	C-3:O-2:O-1:	C[6a]-3:C-3:	C[6]-3:C-3:H-1:	C(CC[6]H)(OC[6a])(O)	O(C[6a]C[6a]2)(CCO)	C(C[6]C[6]O[6])(COO)(H)	C(CC[6]H)(OC[6a])(O)	O(C[6a]C[6a]2)(CCO)	C(C[6]C[6]O[6])(COO)(H)	109.3830	0.000	1	109.3830	0.000	1	109.3830	0.000	1	116.5114	25.049	13	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:3:	3:3:3:	C-3:O-2:H-1:	C-3:C-3:	C-3:C-3:C-3:	C(CCC)(OC)(H)	O(CCH)2	C(CCC)(CHO)(COO)	C(CCC)(OC)(H)	O(CCH)2	C(CCC)(CHO)(COO)	120.2400	0.000	1	120.2400	0.000	1	120.2400	0.000	1	123.5989	35.344	7	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:3:	3:3:3:	C-3:O-2:H-1:	C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(CC[6a]C)(OC[6a])(H)	O(C[6a]C[6a]2)(CCH)	C(C[6a]C[6a]2)(CHO)(COO)	C(CC[6a]C)(OC[6a])(H)	O(C[6a]C[6a]2)(CCH)	C(C[6a]C[6a]2)(CHO)(COO)	126.7240	0.607	5	126.7240	0.369	5	126.7240	0.369	5	123.5989	35.344	7	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:3:	3:3:3:	C-3:O-2:O-1:	C-3:C-3:	C[5]-3:C-3:C-3:	C(CC[5]C)(OC)(O)	O(CCH)(CCO)	C(C[5]C[5]N[5])(CCO)(COO)	C(CC[5]C)(OC)(O)	O(CCH)(CCO)	C(C[5]C[5]N[5])(CCO)(COO)	111.3320	0.000	1	111.3320	0.000	1	111.3320	0.000	1	123.5989	35.344	7	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:3:	3:4:3:	C-3:O-2:H-1:	C[6a]-3:C-3:	B[5]-3:C-4:C-3:	C(CB[5]C)(OC[6a])(H)	O(C[6a]C[6a]2)(CCH)	C(B[5]O[5]2)(CCHH)(CHO)	C(CB[5]C)(OC[6a])(H)	O(C[6a]C[6a]2)(CCH)	C(B[5]O[5]2)(CCHH)(CHO)	122.6840	0.000	1	122.6840	0.000	1	122.6840	0.000	1	122.6840	0.000	1	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:3:	4:3:1:	C-3:O-2:H-1:	C-3:C-3:	C-4:C-3:H-1:	C(CCH)(OC)(H)	O(CCH)(CCO)	C(CC[5]CH)(CHO)(H)	C(CCH)(OC)(H)	O(CCH)(CCO)	C(CC[5]CH)(CHO)(H)	119.7055	1.548	2	119.7055	2.396	2	127.4854	29.936	10	127.0320	29.203	11	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:3:	4:3:1:	C-3:O-2:H-1:	C-3:C-3:	C-4:C-3:H-1:	C(CCH)(OC)(H)	O(CC[5]H)(CCH)	C(CC[5]HO)(CHO)(H)	C(CCH)(OC)(H)	O(CC[5]H)(CCH)	C(CC[5]HO)(CHO)(H)	130.8234	1.083	7	130.8234	1.172	7	127.4854	29.936	10	127.0320	29.203	11	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:3:	4:3:1:	C-3:O-2:H-1:	C-3:C-3:	C-4:C-3:H-1:	C(CCH)(OC)(H)	O(CC[6a]O)(CCH)	C(CSi2H)(CHO)(H)	C(CCH)(OC)(H)	O(CC[6a]O)(CCH)	C(CSi2H)(CHO)(H)	119.6790	0.000	1	119.6790	0.000	1	127.4854	29.936	10	127.0320	29.203	11	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:3:	4:3:1:	C-3:O-2:H-1:	C[6a]-3:C-3:	C[6]-4:C-3:H-1:	C(CC[6]H)(OC[6a])(H)	O(C[6a]C[6a]2)(CCH)	C(C[6]C[6]O[6]H)(CHO)(H)	C(CC[6]H)(OC[6a])(H)	O(C[6a]C[6a]2)(CCH)	C(C[6]C[6]O[6]H)(CHO)(H)	122.4980	0.000	1	122.4980	0.000	1	122.4980	0.000	1	127.0320	29.203	11	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:3:	4:3:3:	C-3:O-2:H-1:	C-3:C-3:	C-4:C-3:C-3:	C(CCC)(OC)(H)	O(CCH)2	C(CH3)(CHO)(COO)	C(CCC)(OC)(H)	O(CCH)2	C(CH3)(CHO)(COO)	118.6225	0.234	2	118.6225	0.055	2	118.6225	0.055	2	115.3708	10.394	8	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:3:	4:3:3:	C-3:O-2:O-1:	C-3:C-3:	C-4:C-3:C-3:	C(CCC)(OC)(O)	O(CCC)(CCO)	C(CC[6a]HN)(CHH)(COO)	C(CCC)(OC)(O)	O(CCC)(CCO)	C(CC[6a]HN)(CHH)(COO)	119.8740	0.000	1	119.8740	0.000	1	116.0453	12.890	3	115.3708	10.394	8	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:3:	4:3:3:	C-3:O-2:O-1:	C-3:C-3:	C-4:C-3:C-3:	C(CCC)(OC)(O)	O(CCC)(CCO)	C(CH3)(CHH)(COO)	C(CCC)(OC)(O)	O(CCC)(CCO)	C(CH3)(CHH)(COO)	112.7540	0.000	1	112.7540	0.000	1	116.0453	12.890	3	115.3708	10.394	8	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:3:	4:3:3:	C-3:O-2:O-1:	C-3:C-3:	C-4:C-3:C-3:	C(CCC)(OC)(O)	O(CCO)2	C(CC3)(CCH)(COO)	C(CCC)(OC)(O)	O(CCO)2	C(CC3)(CCH)(COO)	115.5080	0.000	1	115.5080	0.000	1	116.0453	12.890	3	115.3708	10.394	8	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:3:	4:3:3:	C-3:O-2:O-1:	C-3:C-3:	C[6]-4:C-3:C-3:	C(CC[6]C)(OC)(O)	O(CCO)2	C(C[6]C[6]2H)(CHH)(COO)	C(CC[6]C)(OC)(O)	O(CCO)2	C(C[6]C[6]2H)(CHH)(COO)	112.6810	0.184	2	112.6810	0.034	2	112.6810	0.034	2	115.3708	10.394	8	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:3:	4:3:3:	C-3:O-2:O-1:	C[6a]-3:C-3:	C[6]-4:C-3:C-3:	C(CC[6]C)(OC[6a])(O)	O(C[6a]C[6a]2)(CCO)	C(C[6]C[6]2H)(CHH)(COO)	C(CC[6]C)(OC[6a])(O)	O(C[6a]C[6a]2)(CCO)	C(C[6]C[6]2H)(CHH)(COO)	112.2230	0.000	1	112.2230	0.000	1	112.2230	0.000	1	115.3708	10.394	8	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:3:	4:4:3:	C-3:O-2:H-1:	C-3:C-3:	C-4:C-4:C-3:	C(CCC)(OC)(H)	O(CCH)(CNO)	C(CCHH)(CH3)(CHO)	C(CCC)(OC)(H)	O(CCH)(CNO)	C(CCHH)(CH3)(CHO)	121.1340	0.000	1	121.1340	0.000	1	120.5055	0.790	2	120.5055	0.790	2	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	3:3:	4:4:3:	C-3:O-2:H-1:	C-3:C-3:	C-4:C-4:C-3:	C(CCC)(OC)(H)	O(CC[6a]O)(CCH)	C(CCHH)(CH3)(CHO)	C(CCC)(OC)(H)	O(CC[6a]O)(CCH)	C(CCHH)(CH3)(CHO)	119.8770	0.000	1	119.8770	0.000	1	120.5055	0.790	2	120.5055	0.790	2	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	2:3:1:	C-3:O-2:H-1:	S-4:C-3:	I-2:C-3:H-1:	C(CHI)(OS)(H)	O(SCOO)(CCH)	C(IC[6a])(CHO)(H)	C(CHI)(OS)(H)	O(SCOO)(CCH)	C(IC[6a])(CHO)(H)	118.5180	0.000	1	118.5180	0.000	1	118.5180	0.000	1	113.0616	10.771	5	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	2:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-2:C-3:H-1:	C(CCH)(OC)(O)	O(CCHH)(CCO)	C(CC[6])(COO)(H)	C(CCH)(OC)(O)	O(CCHH)(CCO)	C(CC[6])(COO)(H)	111.8890	2.373	2	111.8890	5.631	2	111.8890	5.631	2	113.0616	10.771	5	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	2:3:1:	C-3:O-2:O-1:	C-4:C-3:	N-2:C-3:O-1:	C(CNO)(OC)(O)	O(CCHH)(CCO)	C(NC[5])(COO)(O)	C(CNO)(OC)(O)	O(CCHH)(CCO)	C(NC[5])(COO)(O)	111.7170	0.000	1	111.7170	0.000	1	111.5060	0.089	2	113.0616	10.771	5	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	2:3:1:	C-3:O-2:O-1:	C-4:C-3:	N-2:C-3:O-1:	C(CNO)(OC)(O)	O(CCHH)(CCO)	C(NC[6a])(COO)(O)	C(CNO)(OC)(O)	O(CCHH)(CCO)	C(NC[6a])(COO)(O)	111.2950	0.000	1	111.2950	0.000	1	111.5060	0.089	2	113.0616	10.771	5	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	2:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-2:C-3:C-3:	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CC[5])(COO)2	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CC[5])(COO)2	111.1875	0.268	2	111.1875	0.072	2	111.1875	0.072	2	111.4657	2.907	20	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	2:3:3:	C-3:O-2:O-1:	C-4:C-3:	I-2:C-3:C-3:	C(CCI)(OC)(O)	O(CH3)(CCO)	C(IC[6a])(COO)2	C(CCI)(OC)(O)	O(CH3)(CCO)	C(IC[6a])(COO)2	112.8190	0.025	2	112.8190	0.001	2	112.8190	0.001	2	111.4657	2.907	20	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	2:3:3:	C-3:O-2:O-1:	C-4:C-3:	N-2:C-3:C-3:	C(CCN)(OC)(O)	O(CH3)(CCO)	C(NC[6a])(CCP)(COO)	C(CCN)(OC)(O)	O(CH3)(CCO)	C(NC[6a])(CCP)(COO)	110.4970	0.228	2	110.4970	0.052	2	110.4970	0.052	2	111.4657	2.907	20	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	2:3:3:	C-3:O-2:O-1:	C-4:C-3:	O-2:C-3:C-3:	C(CCO)(OC)(O)	O(CC3)(CCO)	C(OC[6a])(CCH)(COO)	C(CCO)(OC)(O)	O(CC3)(CCO)	C(OC[6a])(CCH)(COO)	111.5990	0.000	1	111.5990	0.000	1	111.6817	5.826	8	111.4657	2.907	20	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	2:3:3:	C-3:O-2:O-1:	C-4:C-3:	O-2:C-3:C-3:	C(CCO)(OC)(O)	O(CCHH)(CCO)	C(OC[5])(CCO)(COO)	C(CCO)(OC)(O)	O(CCHH)(CCO)	C(OC[5])(CCO)(COO)	113.9710	0.000	1	113.9710	0.000	1	111.6817	5.826	8	111.4657	2.907	20	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	2:3:3:	C-3:O-2:O-1:	C-4:C-3:	O-2:C-3:C-3:	C(CCO)(OC)(O)	O(CCHH)(CCO)	C(OC[6a])(CIrC)(COO)	C(CCO)(OC)(O)	O(CCHH)(CCO)	C(OC[6a])(CIrC)(COO)	107.0730	0.000	1	107.0730	0.000	1	111.6817	5.826	8	111.4657	2.907	20	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	2:3:3:	C-3:O-2:O-1:	C-4:C-3:	O-2:C-3:C-3:	C(CCO)(OC)(O)	O(CCHH)(CCO)	C(OC[6a])(CRhC)(COO)	C(CCO)(OC)(O)	O(CCHH)(CCO)	C(OC[6a])(CRhC)(COO)	111.8730	0.656	2	111.8730	0.431	2	111.6817	5.826	8	111.4657	2.907	20	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	2:3:3:	C-3:O-2:O-1:	C-4:C-3:	O-2:C-3:C-3:	C(CCO)(OC)(O)	O(CCHH)(CCO)	C(OP[6])(CHH)(COO)	C(CCO)(OC)(O)	O(CCHH)(CCO)	C(OP[6])(CHH)(COO)	110.7650	0.000	1	110.7650	0.000	1	111.6817	5.826	8	111.4657	2.907	20	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	2:3:3:	C-3:O-2:O-1:	C-4:C-3:	O-2:C-3:C-3:	C(CCO)(OC)(O)	O(CH3)(CCO)	C(OC[6a])(CCH)(COO)	C(CCO)(OC)(O)	O(CH3)(CCO)	C(OC[6a])(CCH)(COO)	111.0720	0.000	1	111.0720	0.000	1	111.6817	5.826	8	111.4657	2.907	20	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	2:3:3:	C-3:O-2:O-1:	C-4:C-3:	O-2:C-3:C-3:	C(CCO)(OC)(O)	O(CH3)(CCO)	C(OC[6a])(CIrC)(COO)	C(CCO)(OC)(O)	O(CH3)(CCO)	C(OC[6a])(CIrC)(COO)	115.2280	0.000	1	115.2280	0.000	1	111.6817	5.826	8	111.4657	2.907	20	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	2:3:3:	C-3:O-2:O-1:	C-4:C-3:	S-2:C-3:C-3:	C(CCS)(OC)(O)	O(CH3)(CCO)	C(SC[3x3,4,3x5,14x6])(CCC)(COO)	C(CCS)(OC)(O)	O(CH3)(CCO)	C(SC[3x3,4,3x5,14x6])(CCC)(COO)	110.1030	0.000	1	110.1030	0.000	1	111.1422	1.526	6	111.4657	2.907	20	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	2:3:3:	C-3:O-2:O-1:	C-4:C-3:	S-2:C-3:C-3:	C(CCS)(OC)(O)	O(CH3)(CCO)	C(SC[6])(CCH)(COO)	C(CCS)(OC)(O)	O(CH3)(CCO)	C(SC[6])(CCH)(COO)	111.1000	0.000	1	111.1000	0.000	1	111.1422	1.526	6	111.4657	2.907	20	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	2:3:3:	C-3:O-2:O-1:	C-4:C-3:	S-2:C-3:C-3:	C(CCS)(OC)(O)	O(CH3)(CCO)	C(SC[6a])(CCC)(COO)	C(CCS)(OC)(O)	O(CH3)(CCO)	C(SC[6a])(CCC)(COO)	110.2235	0.247	2	110.2235	0.061	2	111.1422	1.526	6	111.4657	2.907	20	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	2:3:3:	C-3:O-2:O-1:	C-4:C-3:	S-2:C-3:C-3:	C(CCS)(OC)(O)	O(CH3)(CCO)	C(SC[6a])(CCN)(COO)	C(CCS)(OC)(O)	O(CH3)(CCO)	C(SC[6a])(CCN)(COO)	112.6015	0.736	2	112.6015	0.542	2	111.1422	1.526	6	111.4657	2.907	20	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	2:4:3:	C-3:O-2:O-1:	C-4:C-3:	N-2:C-4:C-3:	C(CCN)(OC)(O)	O(CH3)(CCO)	C(NN[5a])(CCHH)(COO)	C(CCN)(OC)(O)	O(CH3)(CCO)	C(NN[5a])(CCHH)(COO)	113.1180	0.000	1	113.1180	0.000	1	113.1180	0.000	1	113.1180	0.000	1	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:1:1:	C-3:O-2:H-1:	C-4:C-3:	C-3:Cl-1:H-1:	C(CClH)(OC)(H)	O(CC[6a]HH)(CCH)	C(CHO)(Cl)(H)	C(CClH)(OC)(H)	O(CC[6a]HH)(CCH)	C(CHO)(Cl)(H)	127.5770	0.000	1	127.5770	0.000	1	127.5770	0.000	1	121.3849	55.647	10	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:1:1:	C-3:O-2:H-1:	Si-4:C-3:	C-3:H-1:H-1:	C(CHH)(OSi)(H)	O(SiC[5]2C)(CCH)	C(CHO)(H)2	C(CHH)(OSi)(H)	O(SiC[5]2C)(CCH)	C(CHO)(H)2	125.2110	0.000	1	125.2110	0.000	1	125.9917	3.402	4	121.3849	55.647	10	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:1:1:	C-3:O-2:H-1:	Si-4:C-3:	C-3:H-1:H-1:	C(CHH)(OSi)(H)	O(SiC[5]2O)(CCH)	C(CHO)(H)2	C(CHH)(OSi)(H)	O(SiC[5]2O)(CCH)	C(CHO)(H)2	126.2520	2.167	3	126.2520	4.696	3	125.9917	3.402	4	121.3849	55.647	10	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:1:1:	C-3:O-2:N-1:	S-4:C-3:	C-3:H-1:H-1:	C(CHH)(OS)(N)	O(SC[6]OO)(CCN)	C(CNO)(H)2	C(CHH)(OS)(N)	O(SC[6]OO)(CCN)	C(CNO)(H)2	125.0390	0.000	2	125.0390	0.000	2	125.0390	0.000	2	121.3849	55.647	10	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:1:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:H-1:H-1:	C(CHH)(OC)(O)	O(CC[6]CC)(CCO)	C(COO)(H)2	C(CHH)(OC)(O)	O(CC[6]CC)(CCO)	C(COO)(H)2	109.9730	0.000	1	109.9730	0.000	1	109.9730	0.000	1	121.3849	55.647	10	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:1:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:O-1:O-1:	C(COO)(OC)(O)	O(CH3)(CCO)	C(COO)(O)2	C(COO)(OC)(O)	O(CH3)(CCO)	C(COO)(O)2	111.1270	0.000	2	111.1270	0.000	2	111.1270	0.000	2	121.3849	55.647	10	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:2:1:	C-3:O-2:H-1:	C-4:C-3:	C-3:O-2:H-1:	C(CHO)(OC)(H)	O(CCHH)(CCH)	C(CHO)(OC)(H)	C(CHO)(OC)(H)	O(CCHH)(CCH)	C(CHO)(OC)(H)	115.3618	4.248	4	115.3618	18.045	4	115.3618	18.045	4	110.9520	4.429	65	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:2:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-2:H-1:	C(CCH)(OC)(O)	O(CCHH)(CCO)	C(COO)(CC)(H)	C(CCH)(OC)(O)	O(CCHH)(CCO)	C(COO)(CC)(H)	111.5105	1.760	2	111.5105	3.098	2	111.4737	2.956	4	110.9520	4.429	65	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:2:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-2:H-1:	C(CCH)(OC)(O)	O(CH3)(CCO)	C(COO)(CN)(H)	C(CCH)(OC)(O)	O(CH3)(CCO)	C(COO)(CN)(H)	109.7390	0.000	1	109.7390	0.000	1	111.4737	2.956	4	110.9520	4.429	65	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:2:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-2:H-1:	C(CCH)(OC)(O)	O(CH3)(CCO)	C(COO)(CRu)(H)	C(CCH)(OC)(O)	O(CH3)(CCO)	C(COO)(CRu)(H)	113.1350	0.000	1	113.1350	0.000	1	111.4737	2.956	4	110.9520	4.429	65	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:2:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:N-2:Br-1:	C(CBrN)(OC)(O)	O(CCHH)(CCO)	C(COO)(NN)(Br)	C(CBrN)(OC)(O)	O(CCHH)(CCO)	C(COO)(NN)(Br)	113.1530	0.000	1	113.1530	0.000	1	113.1530	0.000	1	110.9520	4.429	65	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:2:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:N-2:Cl-1:	C(CClN)(OC)(O)	O(CCHH)(CCO)	C(COO)(NN)(Cl)	C(CClN)(OC)(O)	O(CCHH)(CCO)	C(COO)(NN)(Cl)	111.8803	0.416	4	111.8803	0.173	4	111.8803	0.173	4	110.9520	4.429	65	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:2:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:N-2:H-1:	C(CHN)(OC)(O)	O(CCHH)(CCO)	C(COO)(NN)(H)	C(CHN)(OC)(O)	O(CCHH)(CCO)	C(COO)(NN)(H)	111.7576	2.330	9	111.7576	5.430	9	111.7576	5.430	9	110.9520	4.429	65	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:2:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:O-2:O-1:	C(COO)(OC)(O)	O(CC3)(CCO)	C(COO)(OC)(O)	C(COO)(OC)(O)	O(CC3)(CCO)	C(COO)(OC)(O)	109.5204	0.246	12	109.5204	0.061	12	110.1099	1.325	41	110.9520	4.429	65	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:2:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:O-2:O-1:	C(COO)(OC)(O)	O(CCCH)(CCO)	C(COO)(OC)(O)	C(COO)(OC)(O)	O(CCCH)(CCO)	C(COO)(OC)(O)	109.6580	0.238	2	109.6580	0.056	2	110.1099	1.325	41	110.9520	4.429	65	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:2:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:O-2:O-1:	C(COO)(OC)(O)	O(CCHH)(CCO)	C(COO)(OC)(O)	C(COO)(OC)(O)	O(CCHH)(CCO)	C(COO)(OC)(O)	110.3125	1.285	15	110.3125	1.651	15	110.1099	1.325	41	110.9520	4.429	65	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:2:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:O-2:O-1:	C(COO)(OC)(O)	O(CH3)(CCO)	C(COO)(OC)(O)	C(COO)(OC)(O)	O(CH3)(CCO)	C(COO)(OC)(O)	109.9526	0.530	10	109.9526	0.281	10	110.1099	1.325	41	110.9520	4.429	65	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:2:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:O-2:O-1:	C(COO)(OC)(O)	O(CH3)(CCO)	C(COO)(OIr)(O)	C(COO)(OC)(O)	O(CH3)(CCO)	C(COO)(OIr)(O)	113.3650	0.000	2	113.3650	0.000	2	110.1099	1.325	41	110.9520	4.429	65	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:2:1:	C-3:O-2:O-1:	Si-4:C-3:	C-3:O-2:O-1:	C(COO)(OSi)(O)	O(SiC3)(CCO)	C(COO)(OSi)(O)	C(COO)(OSi)(O)	O(SiC3)(CCO)	C(COO)(OSi)(O)	111.7700	0.198	2	111.7700	0.039	2	111.7700	0.039	2	110.9520	4.429	65	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:2:2:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-2:C-2:	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(COO)(CN)2	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(COO)(CN)2	111.3380	0.000	1	111.3380	0.000	1	110.5470	2.127	3	110.6433	1.607	10	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:2:2:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-2:C-2:	C(CCC)(OC)(O)	O(CC[5]2H)(CCO)	C(COO)(CC)(CH)	C(CCC)(OC)(O)	O(CC[5]2H)(CCO)	C(COO)(CC)(CH)	108.8640	0.000	1	108.8640	0.000	1	110.5470	2.127	3	110.6433	1.607	10	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:2:2:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-2:C-2:	C(CCC)(OC)(O)	O(CH3)(CCO)	C(COO)(CN)2	C(CCC)(OC)(O)	O(CH3)(CCO)	C(COO)(CN)2	111.4390	0.000	1	111.4390	0.000	1	110.5470	2.127	3	110.6433	1.607	10	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:2:2:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-2:N-2:	C(CCN)(OC)(O)	O(CC3)(CCO)	C(COO)(CN)(NO)	C(CCN)(OC)(O)	O(CC3)(CCO)	C(COO)(CN)(NO)	111.1110	0.000	1	111.1110	0.000	1	110.6846	1.695	7	110.6433	1.607	10	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:2:2:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-2:N-2:	C(CCN)(OC)(O)	O(CCHH)(CCO)	C(COO)(CN)(NN)	C(CCN)(OC)(O)	O(CCHH)(CCO)	C(COO)(CN)(NN)	111.9500	0.215	2	111.9500	0.046	2	110.6846	1.695	7	110.6433	1.607	10	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:2:2:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-2:N-2:	C(CCN)(OC)(O)	O(CCHH)(CCO)	C(COO)(CN)(NO)	C(CCN)(OC)(O)	O(CCHH)(CCO)	C(COO)(CN)(NO)	109.9453	1.232	4	109.9453	1.517	4	110.6846	1.695	7	110.6433	1.607	10	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:2:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:I-2:C-3:	C(CCI)(OC)(O)	O(CCHH)(CCO)	C(CC[6a]O)(IC[6a])(COO)	C(CCI)(OC)(O)	O(CCHH)(CCO)	C(CC[6a]O)(IC[6a])(COO)	111.0920	0.000	1	111.0920	0.000	1	111.0920	0.000	1	112.1334	2.612	16	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:2:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:S-2:C-3:	C(CCS)(OC)(O)	O(CCHH)(CCO)	C(CC[6a]N)(SC[6a])(COO)	C(CCS)(OC)(O)	O(CCHH)(CCO)	C(CC[6a]N)(SC[6a])(COO)	114.8175	1.351	2	114.8175	1.826	2	113.0856	3.156	5	112.1334	2.612	16	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:2:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:S-2:C-3:	C(CCS)(OC)(O)	O(CCHH)(CCO)	C(CC[6a]O)(SC[6a])(COO)	C(CCS)(OC)(O)	O(CCHH)(CCO)	C(CC[6a]O)(SC[6a])(COO)	111.5965	0.359	2	111.5965	0.129	2	113.0856	3.156	5	112.1334	2.612	16	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:2:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:S-2:C-3:	C(CCS)(OC)(O)	O(CCHH)(CCO)	C(CC[6a]S)(SC[6a])(COO)	C(CCS)(OC)(O)	O(CCHH)(CCO)	C(CC[6a]S)(SC[6a])(COO)	112.6000	0.000	1	112.6000	0.000	1	113.0856	3.156	5	112.1334	2.612	16	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:2:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:Se-2:C-3:	C(CSeC)(OC)(O)	O(CH3)(CCO)	C(CSeC)(SeIr)(COO)	C(CSeC)(OC)(O)	O(CH3)(CCO)	C(CSeC)(SeIr)(COO)	113.6505	0.559	2	113.6505	0.313	2	111.8322	3.737	6	112.1334	2.612	16	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:2:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:Se-2:C-3:	C(CSeC)(OC)(O)	O(CH3)(CCO)	C(CSeC)(SePd)(COO)	C(CSeC)(OC)(O)	O(CH3)(CCO)	C(CSeC)(SePd)(COO)	111.6365	2.490	2	111.6365	6.199	2	111.8322	3.737	6	112.1334	2.612	16	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:2:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:Se-2:C-3:	C(CSeC)(OC)(O)	O(CH3)(CCO)	C(CSnC)(SePt)(COO)	C(CSeC)(OC)(O)	O(CH3)(CCO)	C(CSnC)(SePt)(COO)	110.2095	0.467	2	110.2095	0.218	2	111.8322	3.737	6	112.1334	2.612	16	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:2:3:	C-3:O-2:O-1:	C-4:C-3:	C[6a]-3:N-2:C-3:	C(CC[6a]N)(OC)(O)	O(CH3)(CCO)	C(C[6a]C[6a]2)(NC[6a])(COO)	C(CC[6a]N)(OC)(O)	O(CH3)(CCO)	C(C[6a]C[6a]2)(NC[6a])(COO)	111.6552	0.514	4	111.6552	0.265	4	111.6552	0.265	4	112.1334	2.612	16	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:H-1:	B-4:C-3:	C-3:C-3:H-1:	C(CCH)(OB)(H)	O(BC[6a]2C)(CCH)	C(CC[6a]H)(CHO)(H)	C(CCH)(OB)(H)	O(BC[6a]2C)(CCH)	C(CC[6a]H)(CHO)(H)	122.5790	0.000	1	122.5790	0.000	1	122.5790	0.000	1	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:H-1:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OC)(H)	O(CCHH)(CCH)	C(CHO)(COO)(H)	C(CCH)(OC)(H)	O(CCHH)(CCH)	C(CHO)(COO)(H)	127.8020	0.000	1	127.8020	0.000	1	127.8623	19.018	4	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:H-1:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OC)(H)	O(CC[6a]CH)(CCH)	C(CCH)(CHO)(H)	C(CCH)(OC)(H)	O(CC[6a]CH)(CCH)	C(CCH)(CHO)(H)	132.7610	0.000	1	132.7610	0.000	1	127.8623	19.018	4	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:H-1:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OC)(H)	O(CH3)(CCH)	C(CCO)(CHO)(H)	C(CCH)(OC)(H)	O(CH3)(CCH)	C(CCO)(CHO)(H)	125.4430	4.620	2	125.4430	21.347	2	127.8623	19.018	4	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:H-1:	C-4:C-3:	C[6a]-3:C-3:H-1:	C(CC[6a]H)(OC)(H)	O(CH3)(CCH)	C(C[6a]C[6a]2)(CHO)(H)	C(CC[6a]H)(OC)(H)	O(CH3)(CCH)	C(C[6a]C[6a]2)(CHO)(H)	124.2210	0.000	1	124.2210	0.000	1	124.2210	0.000	1	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:H-1:	P-4:C-3:	C-3:C-3:H-1:	C(CCH)(OP)(H)	O(PCOW)(CCH)	C(CCH)(CHO)(H)	C(CCH)(OP)(H)	O(PCOW)(CCH)	C(CCH)(CHO)(H)	125.3025	2.706	2	125.3025	7.323	2	125.3025	7.323	2	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:H-1:	P-4:C-3:	C[6a]-3:C-3:H-1:	C(CC[6a]H)(OP)(H)	O(PNOO)(CCH)	C(C[6a]C[6a]2)(CHO)(H)	C(CC[6a]H)(OP)(H)	O(PNOO)(CCH)	C(C[6a]C[6a]2)(CHO)(H)	120.5940	0.000	1	120.5940	0.000	1	120.5940	0.000	1	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:H-1:	S-4:C-3:	C[6a]-3:C-3:F-1:	C(CC[6a]F)(OS)(H)	O(SC[6a]OO)(CCH)	C(C[6a]C[6a]2)(CHO)(F)	C(CC[6a]F)(OS)(H)	O(SC[6a]OO)(CCH)	C(C[6a]C[6a]2)(CHO)(F)	119.6860	0.000	1	119.6860	0.000	1	119.6860	0.000	1	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:Br-1:	C(CBrC)(OC)(O)	O(CCHH)(CCO)	C(CC[5a]H)(COO)(Br)	C(CBrC)(OC)(O)	O(CCHH)(CCO)	C(CC[5a]H)(COO)(Br)	112.0940	0.000	1	112.0940	0.000	1	111.5815	1.585	11	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:Br-1:	C(CBrC)(OC)(O)	O(CH3)(CCO)	C(CCC)(COO)(Br)	C(CBrC)(OC)(O)	O(CH3)(CCO)	C(CCC)(COO)(Br)	112.3440	1.790	2	112.3440	3.206	2	111.5815	1.585	11	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:Br-1:	C(CBrC)(OC)(O)	O(CH3)(CCO)	C(CC[5a]H)(COO)(Br)	C(CBrC)(OC)(O)	O(CH3)(CCO)	C(CC[5a]H)(COO)(Br)	113.2410	0.000	1	113.2410	0.000	1	111.5815	1.585	11	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:Br-1:	C(CBrC)(OC)(O)	O(CH3)(CCO)	C(CC[6a]H)(COO)(Br)	C(CBrC)(OC)(O)	O(CH3)(CCO)	C(CC[6a]H)(COO)(Br)	110.6610	0.000	1	110.6610	0.000	1	111.5815	1.585	11	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:Br-1:	C(CBrC)(OC)(O)	O(CH3)(CCO)	C(CC[6a]N[4])(COO)(Br)	C(CBrC)(OC)(O)	O(CH3)(CCO)	C(CC[6a]N[4])(COO)(Br)	110.8560	1.032	5	110.8560	1.065	5	111.5815	1.585	11	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:Br-1:	C(CBrC)(OC)(O)	O(CH3)(CCO)	C(CHN)(COO)(Br)	C(CBrC)(OC)(O)	O(CH3)(CCO)	C(CHN)(COO)(Br)	112.4320	0.000	1	112.4320	0.000	1	111.5815	1.585	11	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:Cl-1:	C(CClC)(OC)(O)	O(CCHH)(CCO)	C(CCN)(COO)(Cl)	C(CClC)(OC)(O)	O(CCHH)(CCO)	C(CCN)(COO)(Cl)	111.8500	0.000	1	111.8500	0.000	1	111.6358	0.194	6	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:Cl-1:	C(CClC)(OC)(O)	O(CH3)(CCO)	C(CCH)(COO)(Cl)	C(CClC)(OC)(O)	O(CH3)(CCO)	C(CCH)(COO)(Cl)	111.2360	0.000	1	111.2360	0.000	1	111.6358	0.194	6	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:Cl-1:	C(CClC)(OC)(O)	O(CH3)(CCO)	C(CCS)(COO)(Cl)	C(CClC)(OC)(O)	O(CH3)(CCO)	C(CCS)(COO)(Cl)	112.4210	0.000	1	112.4210	0.000	1	111.6358	0.194	6	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:Cl-1:	C(CClC)(OC)(O)	O(CH3)(CCO)	C(CC[6a]H)(COO)(Cl)	C(CClC)(OC)(O)	O(CH3)(CCO)	C(CC[6a]H)(COO)(Cl)	111.4795	0.128	2	111.4795	0.016	2	111.6358	0.194	6	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:Cl-1:	C(CClC)(OC)(O)	O(CH3)(CCO)	C(CHN)(COO)(Cl)	C(CClC)(OC)(O)	O(CH3)(CCO)	C(CHN)(COO)(Cl)	111.3490	0.000	1	111.3490	0.000	1	111.6358	0.194	6	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:F-1:	C(CCF)(OC)(O)	O(CCHH)(CCO)	C(CC[6a]C)(COO)(F)	C(CCF)(OC)(O)	O(CCHH)(CCO)	C(CC[6a]C)(COO)(F)	112.6870	0.000	1	112.6870	0.000	1	112.1735	0.527	2	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:F-1:	C(CCF)(OC)(O)	O(CH3)(CCO)	C(CC[3]H)(COO)(F)	C(CCF)(OC)(O)	O(CH3)(CCO)	C(CC[3]H)(COO)(F)	111.6600	0.000	1	111.6600	0.000	1	112.1735	0.527	2	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OC)(O)	O(CC3)(CCO)	C(CCC)(COO)(H)	C(CCH)(OC)(O)	O(CC3)(CCO)	C(CCC)(COO)(H)	109.7280	2.025	2	109.7280	4.101	2	111.3296	3.682	529	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OC)(O)	O(CC3)(CCO)	C(CCH)(COO)(H)	C(CCH)(OC)(O)	O(CC3)(CCO)	C(CCH)(COO)(H)	110.7327	1.278	13	110.7327	1.634	13	111.3296	3.682	529	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OC)(O)	O(CC3)(CCO)	C(CCN)(COO)(H)	C(CCH)(OC)(O)	O(CC3)(CCO)	C(CCN)(COO)(H)	111.8410	0.000	1	111.8410	0.000	1	111.3296	3.682	529	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OC)(O)	O(CC3)(CCO)	C(CCO)(COO)(H)	C(CCH)(OC)(O)	O(CC3)(CCO)	C(CCO)(COO)(H)	109.1180	0.683	2	109.1180	0.467	2	111.3296	3.682	529	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OC)(O)	O(CC3)(CCO)	C(CC[5]N)(COO)(H)	C(CCH)(OC)(O)	O(CC3)(CCO)	C(CC[5]N)(COO)(H)	111.9060	0.000	1	111.9060	0.000	1	111.3296	3.682	529	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OC)(O)	O(CC3)(CCO)	C(CC[5a]H)(COO)(H)	C(CCH)(OC)(O)	O(CC3)(CCO)	C(CC[5a]H)(COO)(H)	110.3240	0.000	1	110.3240	0.000	1	111.3296	3.682	529	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OC)(O)	O(CC3)(CCO)	C(CC[6a]H)(COO)(H)	C(CCH)(OC)(O)	O(CC3)(CCO)	C(CC[6a]H)(COO)(H)	111.7375	1.639	6	111.7375	2.687	6	111.3296	3.682	529	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OC)(O)	O(CC3)(CCO)	C(CGe[6]C)(COO)(H)	C(CCH)(OC)(O)	O(CC3)(CCO)	C(CGe[6]C)(COO)(H)	109.8600	0.000	1	109.8600	0.000	1	111.3296	3.682	529	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OC)(O)	O(CCCH)(CCO)	C(CCC)(COO)(H)	C(CCH)(OC)(O)	O(CCCH)(CCO)	C(CCC)(COO)(H)	110.8355	1.655	2	110.8355	2.740	2	111.3296	3.682	529	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OC)(O)	O(CCCH)(CCO)	C(CCH)(COO)(H)	C(CCH)(OC)(O)	O(CCCH)(CCO)	C(CCH)(COO)(H)	111.5420	1.591	21	111.5420	2.530	21	111.3296	3.682	529	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OC)(O)	O(CCCH)(CCO)	C(CC[3]H)(COO)(H)	C(CCH)(OC)(O)	O(CCCH)(CCO)	C(CC[3]H)(COO)(H)	109.5230	0.000	1	109.5230	0.000	1	111.3296	3.682	529	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OC)(O)	O(CCCH)(CCO)	C(CC[6]H)(COO)(H)	C(CCH)(OC)(O)	O(CCCH)(CCO)	C(CC[6]H)(COO)(H)	109.1080	0.000	1	109.1080	0.000	1	111.3296	3.682	529	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OC)(O)	O(CCCH)(CCO)	C(CC[6a]H)(COO)(H)	C(CCH)(OC)(O)	O(CCCH)(CCO)	C(CC[6a]H)(COO)(H)	111.3333	1.249	3	111.3333	1.560	3	111.3296	3.682	529	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OC)(O)	O(CCHH)(CCO)	C(CCC)(COO)(H)	C(CCH)(OC)(O)	O(CCHH)(CCO)	C(CCC)(COO)(H)	111.1843	2.327	3	111.1843	5.414	3	111.3296	3.682	529	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OC)(O)	O(CCHH)(CCO)	C(CCH)(COO)(H)	C(CCH)(OC)(O)	O(CCHH)(CCO)	C(CCH)(COO)(H)	111.4170	1.175	29	111.4170	1.381	29	111.3296	3.682	529	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OC)(O)	O(CCHH)(CCO)	C(CCN)(COO)(H)	C(CCH)(OC)(O)	O(CCHH)(CCO)	C(CCN)(COO)(H)	111.4127	1.179	12	111.4127	1.390	12	111.3296	3.682	529	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OC)(O)	O(CCHH)(CCO)	C(CCO)(COO)(H)	C(CCH)(OC)(O)	O(CCHH)(CCO)	C(CCO)(COO)(H)	110.6483	2.981	3	110.6483	8.884	3	111.3296	3.682	529	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OC)(O)	O(CCHH)(CCO)	C(CCS)(COO)(H)	C(CCH)(OC)(O)	O(CCHH)(CCO)	C(CCS)(COO)(H)	109.8575	1.180	2	109.8575	1.393	2	111.3296	3.682	529	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OC)(O)	O(CCHH)(CCO)	C(CC[3]C)(COO)(H)	C(CCH)(OC)(O)	O(CCHH)(CCO)	C(CC[3]C)(COO)(H)	109.3900	0.000	1	109.3900	0.000	1	111.3296	3.682	529	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OC)(O)	O(CCHH)(CCO)	C(CC[3]H)(COO)(H)	C(CCH)(OC)(O)	O(CCHH)(CCO)	C(CC[3]H)(COO)(H)	110.5767	1.148	3	110.5767	1.318	3	111.3296	3.682	529	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OC)(O)	O(CCHH)(CCO)	C(CC[5]H)(COO)(H)	C(CCH)(OC)(O)	O(CCHH)(CCO)	C(CC[5]H)(COO)(H)	111.4470	1.341	12	111.4470	1.798	12	111.3296	3.682	529	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OC)(O)	O(CCHH)(CCO)	C(CC[5a]C)(COO)(H)	C(CCH)(OC)(O)	O(CCHH)(CCO)	C(CC[5a]C)(COO)(H)	109.6280	0.000	1	109.6280	0.000	1	111.3296	3.682	529	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OC)(O)	O(CCHH)(CCO)	C(CC[5a]C[6a])(COO)(H)	C(CCH)(OC)(O)	O(CCHH)(CCO)	C(CC[5a]C[6a])(COO)(H)	111.9930	1.508	2	111.9930	2.273	2	111.3296	3.682	529	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OC)(O)	O(CCHH)(CCO)	C(CC[5a]H)(COO)(H)	C(CCH)(OC)(O)	O(CCHH)(CCO)	C(CC[5a]H)(COO)(H)	111.5206	0.982	11	111.5206	0.964	11	111.3296	3.682	529	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OC)(O)	O(CCHH)(CCO)	C(CC[6]C)(COO)(H)	C(CCH)(OC)(O)	O(CCHH)(CCO)	C(CC[6]C)(COO)(H)	110.7345	0.223	4	110.7345	0.050	4	111.3296	3.682	529	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OC)(O)	O(CCHH)(CCO)	C(CC[6]H)(COO)(H)	C(CCH)(OC)(O)	O(CCHH)(CCO)	C(CC[6]H)(COO)(H)	111.9935	0.573	2	111.9935	0.329	2	111.3296	3.682	529	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OC)(O)	O(CCHH)(CCO)	C(CC[6a]2)(COO)(H)	C(CCH)(OC)(O)	O(CCHH)(CCO)	C(CC[6a]2)(COO)(H)	110.9460	0.000	1	110.9460	0.000	1	111.3296	3.682	529	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OC)(O)	O(CCHH)(CCO)	C(CC[6a]C)(COO)(H)	C(CCH)(OC)(O)	O(CCHH)(CCO)	C(CC[6a]C)(COO)(H)	111.0540	0.000	1	111.0540	0.000	1	111.3296	3.682	529	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OC)(O)	O(CCHH)(CCO)	C(CC[6a]H)(COO)(H)	C(CCH)(OC)(O)	O(CCHH)(CCO)	C(CC[6a]H)(COO)(H)	111.8771	1.332	45	111.8771	1.774	45	111.3296	3.682	529	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OC)(O)	O(CCHH)(CCO)	C(CC[6a]N)(COO)(H)	C(CCH)(OC)(O)	O(CCHH)(CCO)	C(CC[6a]N)(COO)(H)	110.6950	0.354	2	110.6950	0.125	2	111.3296	3.682	529	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OC)(O)	O(CCHH)(CCO)	C(CC[6a]N[5])(COO)(H)	C(CCH)(OC)(O)	O(CCHH)(CCO)	C(CC[6a]N[5])(COO)(H)	109.0110	0.000	1	109.0110	0.000	1	111.3296	3.682	529	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OC)(O)	O(CCHH)(CCO)	C(CC[6a]O)(COO)(H)	C(CCH)(OC)(O)	O(CCHH)(CCO)	C(CC[6a]O)(COO)(H)	110.0747	1.482	11	110.0747	2.197	11	111.3296	3.682	529	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OC)(O)	O(CCHH)(CCO)	C(CC[6a]P)(COO)(H)	C(CCH)(OC)(O)	O(CCHH)(CCO)	C(CC[6a]P)(COO)(H)	109.3760	0.000	1	109.3760	0.000	1	111.3296	3.682	529	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OC)(O)	O(CCHH)(CCO)	C(CC[6a]Se)(COO)(H)	C(CCH)(OC)(O)	O(CCHH)(CCO)	C(CC[6a]Se)(COO)(H)	112.0120	0.000	1	112.0120	0.000	1	111.3296	3.682	529	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OC)(O)	O(CCHH)(CCO)	C(CClC)(COO)(H)	C(CCH)(OC)(O)	O(CCHH)(CCO)	C(CClC)(COO)(H)	108.8035	0.078	2	108.8035	0.006	2	111.3296	3.682	529	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OC)(O)	O(CCHH)(CCO)	C(CGe[6]C)(COO)(H)	C(CCH)(OC)(O)	O(CCHH)(CCO)	C(CGe[6]C)(COO)(H)	109.5890	0.000	1	109.5890	0.000	1	111.3296	3.682	529	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OC)(O)	O(CCHH)(CCO)	C(CHH)(COO)(H)	C(CCH)(OC)(O)	O(CCHH)(CCO)	C(CHH)(COO)(H)	112.1060	0.885	5	112.1060	0.784	5	111.3296	3.682	529	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OC)(O)	O(CCHH)(CCO)	C(CHN)(COO)(H)	C(CCH)(OC)(O)	O(CCHH)(CCO)	C(CHN)(COO)(H)	111.5480	1.172	2	111.5480	1.374	2	111.3296	3.682	529	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OC)(O)	O(CCHH)(CCO)	C(CHO)(COO)(H)	C(CCH)(OC)(O)	O(CCHH)(CCO)	C(CHO)(COO)(H)	111.6647	0.490	3	111.6647	0.240	3	111.3296	3.682	529	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OC)(O)	O(CCHH)(CCO)	C(CN[5]C)(COO)(H)	C(CCH)(OC)(O)	O(CCHH)(CCO)	C(CN[5]C)(COO)(H)	109.0503	0.280	3	109.0503	0.079	3	111.3296	3.682	529	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OC)(O)	O(CCHH)(CCO)	C(CN[5]H)(COO)(H)	C(CCH)(OC)(O)	O(CCHH)(CCO)	C(CN[5]H)(COO)(H)	111.5023	1.359	7	111.5023	1.847	7	111.3296	3.682	529	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OC)(O)	O(CCHH)(CCO)	C(CN[5a]H)(COO)(H)	C(CCH)(OC)(O)	O(CCHH)(CCO)	C(CN[5a]H)(COO)(H)	110.5275	0.422	2	110.5275	0.178	2	111.3296	3.682	529	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OC)(O)	O(CCHH)(CCO)	C(COO)(CSS)(H)	C(CCH)(OC)(O)	O(CCHH)(CCO)	C(COO)(CSS)(H)	110.6180	0.000	1	110.6180	0.000	1	111.3296	3.682	529	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OC)(O)	O(CCHH)(CCO)	C(CRuO)(COO)(H)	C(CCH)(OC)(O)	O(CCHH)(CCO)	C(CRuO)(COO)(H)	109.4280	0.000	1	109.4280	0.000	1	111.3296	3.682	529	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OC)(O)	O(CCHH)(CCO)	C(CSnC)(COO)(H)	C(CCH)(OC)(O)	O(CCHH)(CCO)	C(CSnC)(COO)(H)	112.0330	0.000	1	112.0330	0.000	1	111.3296	3.682	529	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OC)(O)	O(CCHH)(CCO)	C(CTeH)(COO)(H)	C(CCH)(OC)(O)	O(CCHH)(CCO)	C(CTeH)(COO)(H)	113.5520	0.000	1	113.5520	0.000	1	111.3296	3.682	529	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OC)(O)	O(CC[5]HH)(CCO)	C(CC[6a]H)(COO)(H)	C(CCH)(OC)(O)	O(CC[5]HH)(CCO)	C(CC[6a]H)(COO)(H)	112.2680	0.000	1	112.2680	0.000	1	111.3296	3.682	529	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OC)(O)	O(CC[5]HH)(CCO)	C(CHH)(COO)(H)	C(CCH)(OC)(O)	O(CC[5]HH)(CCO)	C(CHH)(COO)(H)	110.8090	0.000	1	110.8090	0.000	1	111.3296	3.682	529	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OC)(O)	O(CC[6,6]HH)(CCO)	C(CCC)(COO)(H)	C(CCH)(OC)(O)	O(CC[6,6]HH)(CCO)	C(CCC)(COO)(H)	109.8450	0.000	1	109.8450	0.000	1	111.3296	3.682	529	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OC)(O)	O(CC[6]CC)(CCO)	C(CC[6]H)(COO)(H)	C(CCH)(OC)(O)	O(CC[6]CC)(CCO)	C(CC[6]H)(COO)(H)	120.5627	3.153	3	120.5627	9.944	3	111.3296	3.682	529	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OC)(O)	O(CC[6]HH)(CCO)	C(CHH)(COO)(H)	C(CCH)(OC)(O)	O(CC[6]HH)(CCO)	C(CHH)(COO)(H)	109.1990	0.000	1	109.1990	0.000	1	111.3296	3.682	529	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OC)(O)	O(CC[6a]2H)(CCO)	C(CCH)(COO)(H)	C(CCH)(OC)(O)	O(CC[6a]2H)(CCO)	C(CCH)(COO)(H)	109.1180	0.000	1	109.1180	0.000	1	111.3296	3.682	529	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OC)(O)	O(CC[6a]CH)(CCO)	C(CC[6a]2)(COO)(H)	C(CCH)(OC)(O)	O(CC[6a]CH)(CCO)	C(CC[6a]2)(COO)(H)	119.2840	0.000	1	119.2840	0.000	1	111.3296	3.682	529	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OC)(O)	O(CC[6a]CH)(CCO)	C(CC[6a]H)(COO)(H)	C(CCH)(OC)(O)	O(CC[6a]CH)(CCO)	C(CC[6a]H)(COO)(H)	112.2680	0.000	1	112.2680	0.000	1	111.3296	3.682	529	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OC)(O)	O(CC[6a]CH)(CCO)	C(CC[6a]O)(COO)(H)	C(CCH)(OC)(O)	O(CC[6a]CH)(CCO)	C(CC[6a]O)(COO)(H)	122.7173	1.040	4	122.7173	1.081	4	111.3296	3.682	529	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OC)(O)	O(CC[6a]HH)(CCO)	C(CCC)(COO)(H)	C(CCH)(OC)(O)	O(CC[6a]HH)(CCO)	C(CCC)(COO)(H)	110.7730	0.000	1	110.7730	0.000	1	111.3296	3.682	529	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OC)(O)	O(CC[6a]HH)(CCO)	C(CCH)(COO)(H)	C(CCH)(OC)(O)	O(CC[6a]HH)(CCO)	C(CCH)(COO)(H)	111.4373	1.522	40	111.4373	2.317	40	111.3296	3.682	529	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OC)(O)	O(CC[6a]HH)(CCO)	C(CC[6a]H)(COO)(H)	C(CCH)(OC)(O)	O(CC[6a]HH)(CCO)	C(CC[6a]H)(COO)(H)	112.7774	4.862	5	112.7774	23.640	5	111.3296	3.682	529	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OC)(O)	O(CH3)(CCO)	C(CBC)(COO)(H)	C(CCH)(OC)(O)	O(CH3)(CCO)	C(CBC)(COO)(H)	107.9090	0.000	1	107.9090	0.000	1	111.3296	3.682	529	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OC)(O)	O(CH3)(CCO)	C(CB[5x3,5x5,20x6]C)(COO)(H)	C(CCH)(OC)(O)	O(CH3)(CCO)	C(CB[5x3,5x5,20x6]C)(COO)(H)	110.6940	0.000	1	110.6940	0.000	1	111.3296	3.682	529	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OC)(O)	O(CH3)(CCO)	C(CB[5x3,5x5,20x6]H)(COO)(H)	C(CCH)(OC)(O)	O(CH3)(CCO)	C(CB[5x3,5x5,20x6]H)(COO)(H)	109.4749	2.022	7	109.4749	4.090	7	111.3296	3.682	529	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OC)(O)	O(CH3)(CCO)	C(CCC)(COO)(H)	C(CCH)(OC)(O)	O(CH3)(CCO)	C(CCC)(COO)(H)	110.3270	0.856	7	110.3270	0.732	7	111.3296	3.682	529	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OC)(O)	O(CH3)(CCO)	C(CCH)(COO)(H)	C(CCH)(OC)(O)	O(CH3)(CCO)	C(CCH)(COO)(H)	111.0747	1.115	48	111.0747	1.242	48	111.3296	3.682	529	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OC)(O)	O(CH3)(CCO)	C(CCN)(COO)(H)	C(CCH)(OC)(O)	O(CH3)(CCO)	C(CCN)(COO)(H)	111.0787	1.171	13	111.0787	1.372	13	111.3296	3.682	529	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OC)(O)	O(CH3)(CCO)	C(CCO)(COO)(H)	C(CCH)(OC)(O)	O(CH3)(CCO)	C(CCO)(COO)(H)	110.8460	2.452	3	110.8460	6.010	3	111.3296	3.682	529	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OC)(O)	O(CH3)(CCO)	C(CCP)(COO)(H)	C(CCH)(OC)(O)	O(CH3)(CCO)	C(CCP)(COO)(H)	110.4930	0.000	1	110.4930	0.000	1	111.3296	3.682	529	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OC)(O)	O(CH3)(CCO)	C(CCS)(COO)(H)	C(CCH)(OC)(O)	O(CH3)(CCO)	C(CCS)(COO)(H)	110.5430	0.076	2	110.5430	0.006	2	111.3296	3.682	529	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OC)(O)	O(CH3)(CCO)	C(CC[4,5x6]H)(COO)(H)	C(CCH)(OC)(O)	O(CH3)(CCO)	C(CC[4,5x6]H)(COO)(H)	111.3310	0.277	2	111.3310	0.077	2	111.3296	3.682	529	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OC)(O)	O(CH3)(CCO)	C(CC[4]H)(COO)(H)	C(CCH)(OC)(O)	O(CH3)(CCO)	C(CC[4]H)(COO)(H)	110.1890	0.000	1	110.1890	0.000	1	111.3296	3.682	529	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OC)(O)	O(CH3)(CCO)	C(CC[5,6]H)(COO)(H)	C(CCH)(OC)(O)	O(CH3)(CCO)	C(CC[5,6]H)(COO)(H)	110.1960	0.407	2	110.1960	0.166	2	111.3296	3.682	529	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OC)(O)	O(CH3)(CCO)	C(CC[5]C)(COO)(H)	C(CCH)(OC)(O)	O(CH3)(CCO)	C(CC[5]C)(COO)(H)	110.9215	1.408	2	110.9215	1.982	2	111.3296	3.682	529	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OC)(O)	O(CH3)(CCO)	C(CC[5]H)(COO)(H)	C(CCH)(OC)(O)	O(CH3)(CCO)	C(CC[5]H)(COO)(H)	111.4223	1.313	13	111.4223	1.724	13	111.3296	3.682	529	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OC)(O)	O(CH3)(CCO)	C(CC[5a]C)(COO)(H)	C(CCH)(OC)(O)	O(CH3)(CCO)	C(CC[5a]C)(COO)(H)	109.7703	0.676	4	109.7703	0.457	4	111.3296	3.682	529	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OC)(O)	O(CH3)(CCO)	C(CC[5a]H)(COO)(H)	C(CCH)(OC)(O)	O(CH3)(CCO)	C(CC[5a]H)(COO)(H)	111.3707	0.795	7	111.3707	0.631	7	111.3296	3.682	529	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OC)(O)	O(CH3)(CCO)	C(CC[6,6]H)(COO)(H)	C(CCH)(OC)(O)	O(CH3)(CCO)	C(CC[6,6]H)(COO)(H)	112.2573	0.532	3	112.2573	0.283	3	111.3296	3.682	529	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OC)(O)	O(CH3)(CCO)	C(CC[6]C)(COO)(H)	C(CCH)(OC)(O)	O(CH3)(CCO)	C(CC[6]C)(COO)(H)	110.9460	0.000	1	110.9460	0.000	1	111.3296	3.682	529	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OC)(O)	O(CH3)(CCO)	C(CC[6]H)(COO)(H)	C(CCH)(OC)(O)	O(CH3)(CCO)	C(CC[6]H)(COO)(H)	110.6480	0.759	5	110.6480	0.576	5	111.3296	3.682	529	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OC)(O)	O(CH3)(CCO)	C(CC[6a]2)(COO)(H)	C(CCH)(OC)(O)	O(CH3)(CCO)	C(CC[6a]2)(COO)(H)	109.6778	0.477	4	109.6778	0.228	4	111.3296	3.682	529	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OC)(O)	O(CH3)(CCO)	C(CC[6a]B[5])(COO)(H)	C(CCH)(OC)(O)	O(CH3)(CCO)	C(CC[6a]B[5])(COO)(H)	111.5400	0.000	1	111.5400	0.000	1	111.3296	3.682	529	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OC)(O)	O(CH3)(CCO)	C(CC[6a]C)(COO)(H)	C(CCH)(OC)(O)	O(CH3)(CCO)	C(CC[6a]C)(COO)(H)	108.6380	0.000	1	108.6380	0.000	1	111.3296	3.682	529	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OC)(O)	O(CH3)(CCO)	C(CC[6a]H)(COO)(H)	C(CCH)(OC)(O)	O(CH3)(CCO)	C(CC[6a]H)(COO)(H)	111.5474	1.242	50	111.5474	1.542	50	111.3296	3.682	529	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OC)(O)	O(CH3)(CCO)	C(CC[6a]N)(COO)(H)	C(CCH)(OC)(O)	O(CH3)(CCO)	C(CC[6a]N)(COO)(H)	110.3395	0.975	2	110.3395	0.951	2	111.3296	3.682	529	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OC)(O)	O(CH3)(CCO)	C(CC[6a]N[5])(COO)(H)	C(CCH)(OC)(O)	O(CH3)(CCO)	C(CC[6a]N[5])(COO)(H)	109.6110	0.256	2	109.6110	0.066	2	111.3296	3.682	529	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OC)(O)	O(CH3)(CCO)	C(CC[6a]N[6a])(COO)(H)	C(CCH)(OC)(O)	O(CH3)(CCO)	C(CC[6a]N[6a])(COO)(H)	108.0870	0.000	1	108.0870	0.000	1	111.3296	3.682	529	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OC)(O)	O(CH3)(CCO)	C(CC[6a]O)(COO)(H)	C(CCH)(OC)(O)	O(CH3)(CCO)	C(CC[6a]O)(COO)(H)	113.0110	0.000	1	113.0110	0.000	1	111.3296	3.682	529	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OC)(O)	O(CH3)(CCO)	C(CGe[6]C)(COO)(H)	C(CCH)(OC)(O)	O(CH3)(CCO)	C(CGe[6]C)(COO)(H)	110.0050	0.000	1	110.0050	0.000	1	111.3296	3.682	529	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OC)(O)	O(CH3)(CCO)	C(CHH)(COO)(H)	C(CCH)(OC)(O)	O(CH3)(CCO)	C(CHH)(COO)(H)	109.3430	0.000	1	109.3430	0.000	1	111.3296	3.682	529	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OC)(O)	O(CH3)(CCO)	C(CHN)(COO)(H)	C(CCH)(OC)(O)	O(CH3)(CCO)	C(CHN)(COO)(H)	110.8180	1.413	2	110.8180	1.996	2	111.3296	3.682	529	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OC)(O)	O(CH3)(CCO)	C(CHO)(COO)(H)	C(CCH)(OC)(O)	O(CH3)(CCO)	C(CHO)(COO)(H)	111.3888	1.440	6	111.3888	2.074	6	111.3296	3.682	529	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OC)(O)	O(CH3)(CCO)	C(CHS)(COO)(H)	C(CCH)(OC)(O)	O(CH3)(CCO)	C(CHS)(COO)(H)	111.5543	0.920	10	111.5543	0.847	10	111.3296	3.682	529	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OC)(O)	O(CH3)(CCO)	C(CIrC)(COO)(H)	C(CCH)(OC)(O)	O(CH3)(CCO)	C(CIrC)(COO)(H)	109.9625	0.839	2	109.9625	0.704	2	111.3296	3.682	529	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OC)(O)	O(CH3)(CCO)	C(CN[5]C)(COO)(H)	C(CCH)(OC)(O)	O(CH3)(CCO)	C(CN[5]C)(COO)(H)	110.8792	0.842	6	110.8792	0.709	6	111.3296	3.682	529	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OC)(O)	O(CH3)(CCO)	C(CN[5]H)(COO)(H)	C(CCH)(OC)(O)	O(CH3)(CCO)	C(CN[5]H)(COO)(H)	111.8047	0.774	7	111.8047	0.599	7	111.3296	3.682	529	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OC)(O)	O(CH3)(CCO)	C(CN[5a]C)(COO)(H)	C(CCH)(OC)(O)	O(CH3)(CCO)	C(CN[5a]C)(COO)(H)	110.9710	0.000	1	110.9710	0.000	1	111.3296	3.682	529	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OC)(O)	O(CH3)(CCO)	C(CN[6,6]C)(COO)(H)	C(CCH)(OC)(O)	O(CH3)(CCO)	C(CN[6,6]C)(COO)(H)	110.9020	0.000	1	110.9020	0.000	1	111.3296	3.682	529	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OC)(O)	O(CH3)(CCO)	C(CN[6]C)(COO)(H)	C(CCH)(OC)(O)	O(CH3)(CCO)	C(CN[6]C)(COO)(H)	112.3868	1.709	5	112.3868	2.921	5	111.3296	3.682	529	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OC)(O)	O(CH3)(CCO)	C(CN[6]H)(COO)(H)	C(CCH)(OC)(O)	O(CH3)(CCO)	C(CN[6]H)(COO)(H)	111.0670	0.000	1	111.0670	0.000	1	111.3296	3.682	529	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OC)(O)	O(CH3)(CCO)	C(COO)2(H)	C(CCH)(OC)(O)	O(CH3)(CCO)	C(COO)2(H)	111.1733	0.313	3	111.1733	0.098	3	111.3296	3.682	529	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OC)(O)	O(CH3)(CCO)	C(CP[4]H)(COO)(H)	C(CCH)(OC)(O)	O(CH3)(CCO)	C(CP[4]H)(COO)(H)	110.3740	0.000	1	110.3740	0.000	1	111.3296	3.682	529	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OC)(O)	O(CH3)(CCO)	C(CRuC)(COO)(H)	C(CCH)(OC)(O)	O(CH3)(CCO)	C(CRuC)(COO)(H)	110.3545	0.580	4	110.3545	0.336	4	111.3296	3.682	529	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OC)(O)	O(CH3)(CCO)	C(CRuO)(COO)(H)	C(CCH)(OC)(O)	O(CH3)(CCO)	C(CRuO)(COO)(H)	109.0350	0.000	1	109.0350	0.000	1	111.3296	3.682	529	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:I-1:	C(CCI)(OC)(O)	O(CH3)(CCO)	C(CC[6a]I)(COO)(I)	C(CCI)(OC)(O)	O(CH3)(CCO)	C(CC[6a]I)(COO)(I)	110.7930	0.000	1	110.7930	0.000	1	110.7930	0.000	1	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:O-1:	C(CCO)(OC)(O)	O(CCHH)(CCO)	C(CCC)(COO)(O)	C(CCO)(OC)(O)	O(CCHH)(CCO)	C(CCC)(COO)(O)	111.7324	1.755	8	111.7324	3.081	8	111.7341	2.011	22	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:O-1:	C(CCO)(OC)(O)	O(CCHH)(CCO)	C(CCH)(COO)(O)	C(CCO)(OC)(O)	O(CCHH)(CCO)	C(CCH)(COO)(O)	112.1970	1.107	2	112.1970	1.226	2	111.7341	2.011	22	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:O-1:	C(CCO)(OC)(O)	O(CCHH)(CCO)	C(CCN)(COO)(O)	C(CCO)(OC)(O)	O(CCHH)(CCO)	C(CCN)(COO)(O)	112.2670	1.065	2	112.2670	1.134	2	111.7341	2.011	22	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:O-1:	C(CCO)(OC)(O)	O(CCHH)(CCO)	C(CC[5]C)(COO)(O)	C(CCO)(OC)(O)	O(CCHH)(CCO)	C(CC[5]C)(COO)(O)	111.1245	0.479	2	111.1245	0.229	2	111.7341	2.011	22	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:O-1:	C(CCO)(OC)(O)	O(CCHH)(CCO)	C(CC[6]H)(COO)(O)	C(CCO)(OC)(O)	O(CCHH)(CCO)	C(CC[6]H)(COO)(O)	113.1905	0.518	2	113.1905	0.269	2	111.7341	2.011	22	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:O-1:	C(CCO)(OC)(O)	O(CH3)(CCO)	C(CCH)(COO)(O)	C(CCO)(OC)(O)	O(CH3)(CCO)	C(CCH)(COO)(O)	111.3740	0.000	1	111.3740	0.000	1	111.7341	2.011	22	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:O-1:	C(CCO)(OC)(O)	O(CH3)(CCO)	C(CCN)(COO)(O)	C(CCO)(OC)(O)	O(CH3)(CCO)	C(CCN)(COO)(O)	113.5590	0.000	1	113.5590	0.000	1	111.7341	2.011	22	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:O-1:	C(CCO)(OC)(O)	O(CH3)(CCO)	C(CN[6]C)(COO)(O)	C(CCO)(OC)(O)	O(CH3)(CCO)	C(CN[6]C)(COO)(O)	110.5307	0.921	3	110.5307	0.848	3	111.7341	2.011	22	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:O-1:	C(CCO)(OC)(O)	O(CH3)(CCO)	C(CP[5]C)(COO)(O)	C(CCO)(OC)(O)	O(CH3)(CCO)	C(CP[5]C)(COO)(O)	110.2090	0.000	1	110.2090	0.000	1	111.7341	2.011	22	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:S-1:	C(CCS)(OC)(O)	O(CH3)(CCO)	C(CC[5]C)(COO)(S)	C(CCS)(OC)(O)	O(CH3)(CCO)	C(CC[5]C)(COO)(S)	110.1750	0.000	1	110.1750	0.000	1	110.1750	0.000	1	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:N-3:H-1:	C(CHN)(OC)(O)	O(CH3)(CCO)	C(COO)(NCO)(H)	C(CHN)(OC)(O)	O(CH3)(CCO)	C(COO)(NCO)(H)	109.1210	0.000	1	109.1210	0.000	1	109.1210	0.000	1	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:N-3:O-1:	C(CNO)(OC)(O)	O(CH3)(CCO)	C(COO)(NCH)(O)	C(CNO)(OC)(O)	O(CH3)(CCO)	C(COO)(NCH)(O)	111.4600	0.298	2	111.4600	0.089	2	111.4600	0.089	2	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-3:N-3:S-1:	C(CNS)(OC)(O)	O(CCHH)(CCO)	C(COO)(NCH)(S)	C(CNS)(OC)(O)	O(CCHH)(CCO)	C(COO)(NCH)(S)	110.5215	1.718	2	110.5215	2.950	2	110.5215	2.950	2	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C[3]-3:C-3:H-1:	C(CC[3]H)(OC)(O)	O(CCHH)(CCO)	C(C[3]C[3,5,6]2)(COO)(H)	C(CC[3]H)(OC)(O)	O(CCHH)(CCO)	C(C[3]C[3,5,6]2)(COO)(H)	111.1480	0.000	1	111.1480	0.000	1	111.1480	0.000	1	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C[4]-3:C-3:H-1:	C(CC[4]H)(OC)(O)	O(CCHH)(CCO)	C(C[4]C[4]O[4])(COO)(H)	C(CC[4]H)(OC)(O)	O(CCHH)(CCO)	C(C[4]C[4]O[4])(COO)(H)	110.7590	0.193	3	110.7590	0.037	3	110.6810	0.878	7	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C[4]-3:C-3:H-1:	C(CC[4]H)(OC)(O)	O(CCHH)(CCO)	C(C[4]N[4,5]C[4])(COO)(H)	C(CC[4]H)(OC)(O)	O(CCHH)(CCO)	C(C[4]N[4,5]C[4])(COO)(H)	110.2950	0.000	1	110.2950	0.000	1	110.6810	0.878	7	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C[4]-3:C-3:H-1:	C(CC[4]H)(OC)(O)	O(CCHH)(CCO)	C(C[4]N[4,6]C[4])(COO)(H)	C(CC[4]H)(OC)(O)	O(CCHH)(CCO)	C(C[4]N[4,6]C[4])(COO)(H)	109.1090	0.000	1	109.1090	0.000	1	110.6810	0.878	7	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C[4]-3:C-3:H-1:	C(CC[4]H)(OC)(O)	O(CH3)(CCO)	C(C[4]C[4,4]N[4])(COO)(H)	C(CC[4]H)(OC)(O)	O(CH3)(CCO)	C(C[4]C[4,4]N[4])(COO)(H)	111.5430	1.035	2	111.5430	1.072	2	110.6810	0.878	7	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C[5]-3:C-3:Br-1:	C(CC[5]Br)(OC)(O)	O(CCHH)(CCO)	C(C[5]C[5]O[5])(COO)(Br)	C(CC[5]Br)(OC)(O)	O(CCHH)(CCO)	C(C[5]C[5]O[5])(COO)(Br)	112.3555	0.063	2	112.3555	0.004	2	112.3555	0.004	2	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C[5]-3:C-3:H-1:	C(CC[5]H)(OC)(O)	O(CC3)(CCO)	C(C[5]C[5,6a]2)(COO)(H)	C(CC[5]H)(OC)(O)	O(CC3)(CCO)	C(C[5]C[5,6a]2)(COO)(H)	109.2030	0.000	1	109.2030	0.000	1	110.8696	2.210	79	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C[5]-3:C-3:H-1:	C(CC[5]H)(OC)(O)	O(CCCH)(CCO)	C(C[5]C[5,6a]C[5])(COO)(H)	C(CC[5]H)(OC)(O)	O(CCCH)(CCO)	C(C[5]C[5,6a]C[5])(COO)(H)	109.7803	0.246	3	109.7803	0.061	3	110.8696	2.210	79	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C[5]-3:C-3:H-1:	C(CC[5]H)(OC)(O)	O(CCHH)(CCO)	C(C[5]C[3,5]C[5])(COO)(H)	C(CC[5]H)(OC)(O)	O(CCHH)(CCO)	C(C[5]C[3,5]C[5])(COO)(H)	110.8880	0.000	1	110.8880	0.000	1	110.8696	2.210	79	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C[5]-3:C-3:H-1:	C(CC[5]H)(OC)(O)	O(CCHH)(CCO)	C(C[5]C[5,5]C[5])(COO)(H)	C(CC[5]H)(OC)(O)	O(CCHH)(CCO)	C(C[5]C[5,5]C[5])(COO)(H)	111.4510	0.221	2	111.4510	0.049	2	110.8696	2.210	79	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C[5]-3:C-3:H-1:	C(CC[5]H)(OC)(O)	O(CCHH)(CCO)	C(C[5]C[5,5]N[5])(COO)(H)	C(CC[5]H)(OC)(O)	O(CCHH)(CCO)	C(C[5]C[5,5]N[5])(COO)(H)	111.3063	0.888	6	111.3063	0.788	6	110.8696	2.210	79	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C[5]-3:C-3:H-1:	C(CC[5]H)(OC)(O)	O(CCHH)(CCO)	C(C[5]C[5,5a]N[5])(COO)(H)	C(CC[5]H)(OC)(O)	O(CCHH)(CCO)	C(C[5]C[5,5a]N[5])(COO)(H)	110.8360	0.000	1	110.8360	0.000	1	110.8696	2.210	79	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C[5]-3:C-3:H-1:	C(CC[5]H)(OC)(O)	O(CCHH)(CCO)	C(C[5]C[5,6]C[5])(COO)(H)	C(CC[5]H)(OC)(O)	O(CCHH)(CCO)	C(C[5]C[5,6]C[5])(COO)(H)	109.9050	0.421	2	109.9050	0.178	2	110.8696	2.210	79	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C[5]-3:C-3:H-1:	C(CC[5]H)(OC)(O)	O(CCHH)(CCO)	C(C[5]C[5,6]O[5])(COO)(H)	C(CC[5]H)(OC)(O)	O(CCHH)(CCO)	C(C[5]C[5,6]O[5])(COO)(H)	109.8150	0.168	2	109.8150	0.028	2	110.8696	2.210	79	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C[5]-3:C-3:H-1:	C(CC[5]H)(OC)(O)	O(CCHH)(CCO)	C(C[5]C[5,6a]C[5])(COO)(H)	C(CC[5]H)(OC)(O)	O(CCHH)(CCO)	C(C[5]C[5,6a]C[5])(COO)(H)	110.0550	0.955	6	110.0550	0.913	6	110.8696	2.210	79	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C[5]-3:C-3:H-1:	C(CC[5]H)(OC)(O)	O(CCHH)(CCO)	C(C[5]C[5,6a]N[5])(COO)(H)	C(CC[5]H)(OC)(O)	O(CCHH)(CCO)	C(C[5]C[5,6a]N[5])(COO)(H)	109.5760	0.549	3	109.5760	0.301	3	110.8696	2.210	79	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C[5]-3:C-3:H-1:	C(CC[5]H)(OC)(O)	O(CCHH)(CCO)	C(C[5]C[5,6a]O[5])(COO)(H)	C(CC[5]H)(OC)(O)	O(CCHH)(CCO)	C(C[5]C[5,6a]O[5])(COO)(H)	109.9480	0.218	2	109.9480	0.047	2	110.8696	2.210	79	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C[5]-3:C-3:H-1:	C(CC[5]H)(OC)(O)	O(CCHH)(CCO)	C(C[5]C[5]N[5])(COO)(H)	C(CC[5]H)(OC)(O)	O(CCHH)(CCO)	C(C[5]C[5]N[5])(COO)(H)	111.2940	0.436	6	111.2940	0.190	6	110.8696	2.210	79	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C[5]-3:C-3:H-1:	C(CC[5]H)(OC)(O)	O(CCHH)(CCO)	C(C[5]C[5]O[5])(COO)(H)	C(CC[5]H)(OC)(O)	O(CCHH)(CCO)	C(C[5]C[5]O[5])(COO)(H)	110.1958	0.350	5	110.1958	0.122	5	110.8696	2.210	79	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C[5]-3:C-3:H-1:	C(CC[5]H)(OC)(O)	O(CCHH)(CCO)	C(C[5]N[5,5]C[5])(COO)(H)	C(CC[5]H)(OC)(O)	O(CCHH)(CCO)	C(C[5]N[5,5]C[5])(COO)(H)	113.7340	0.000	1	113.7340	0.000	1	110.8696	2.210	79	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C[5]-3:C-3:H-1:	C(CC[5]H)(OC)(O)	O(CCHH)(CCO)	C(C[5]N[5]S[5])(COO)(H)	C(CC[5]H)(OC)(O)	O(CCHH)(CCO)	C(C[5]N[5]S[5])(COO)(H)	111.4310	0.000	1	111.4310	0.000	1	110.8696	2.210	79	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C[5]-3:C-3:H-1:	C(CC[5]H)(OC)(O)	O(CCHH)(CCO)	C(C[5]O[5]S[5])(COO)(H)	C(CC[5]H)(OC)(O)	O(CCHH)(CCO)	C(C[5]O[5]S[5])(COO)(H)	111.8360	0.000	1	111.8360	0.000	1	110.8696	2.210	79	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C[5]-3:C-3:H-1:	C(CC[5]H)(OC)(O)	O(CC[6a]HH)(CCO)	C(C[5]C[5]O[5])(COO)(H)	C(CC[5]H)(OC)(O)	O(CC[6a]HH)(CCO)	C(C[5]C[5]O[5])(COO)(H)	111.2815	0.309	2	111.2815	0.095	2	110.8696	2.210	79	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C[5]-3:C-3:H-1:	C(CC[5]H)(OC)(O)	O(CH3)(CCO)	C(C[5]C[4,5,5]O[5])(COO)(H)	C(CC[5]H)(OC)(O)	O(CH3)(CCO)	C(C[5]C[4,5,5]O[5])(COO)(H)	113.9920	0.000	1	113.9920	0.000	1	110.8696	2.210	79	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C[5]-3:C-3:H-1:	C(CC[5]H)(OC)(O)	O(CH3)(CCO)	C(C[5]C[5,5]O[5])(COO)(H)	C(CC[5]H)(OC)(O)	O(CH3)(CCO)	C(C[5]C[5,5]O[5])(COO)(H)	109.4617	0.649	4	109.4617	0.421	4	110.8696	2.210	79	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C[5]-3:C-3:H-1:	C(CC[5]H)(OC)(O)	O(CH3)(CCO)	C(C[5]C[5,6]C[5])(COO)(H)	C(CC[5]H)(OC)(O)	O(CH3)(CCO)	C(C[5]C[5,6]C[5])(COO)(H)	109.3690	0.000	1	109.3690	0.000	1	110.8696	2.210	79	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C[5]-3:C-3:H-1:	C(CC[5]H)(OC)(O)	O(CH3)(CCO)	C(C[5]C[5,6a]C[5])(COO)(H)	C(CC[5]H)(OC)(O)	O(CH3)(CCO)	C(C[5]C[5,6a]C[5])(COO)(H)	110.8238	1.519	5	110.8238	2.306	5	110.8696	2.210	79	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C[5]-3:C-3:H-1:	C(CC[5]H)(OC)(O)	O(CH3)(CCO)	C(C[5]C[5,6a]N[5])(COO)(H)	C(CC[5]H)(OC)(O)	O(CH3)(CCO)	C(C[5]C[5,6a]N[5])(COO)(H)	109.8475	0.613	2	109.8475	0.376	2	110.8696	2.210	79	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C[5]-3:C-3:H-1:	C(CC[5]H)(OC)(O)	O(CH3)(CCO)	C(C[5]C[5]2)(COO)(H)	C(CC[5]H)(OC)(O)	O(CH3)(CCO)	C(C[5]C[5]2)(COO)(H)	111.3237	2.724	3	111.3237	7.422	3	110.8696	2.210	79	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C[5]-3:C-3:H-1:	C(CC[5]H)(OC)(O)	O(CH3)(CCO)	C(C[5]C[5]N[5])(COO)(H)	C(CC[5]H)(OC)(O)	O(CH3)(CCO)	C(C[5]C[5]N[5])(COO)(H)	111.2527	2.496	3	111.2527	6.228	3	110.8696	2.210	79	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C[5]-3:C-3:H-1:	C(CC[5]H)(OC)(O)	O(CH3)(CCO)	C(C[5]C[5]O[5])(COO)(H)	C(CC[5]H)(OC)(O)	O(CH3)(CCO)	C(C[5]C[5]O[5])(COO)(H)	111.9104	2.009	13	111.9104	4.035	13	110.8696	2.210	79	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C[5]-3:C-3:H-1:	C(CC[5]H)(OC)(O)	O(CH3)(CCO)	C(C[5]C[5]S[5])(COO)(H)	C(CC[5]H)(OC)(O)	O(CH3)(CCO)	C(C[5]C[5]S[5])(COO)(H)	111.7035	0.305	2	111.7035	0.093	2	110.8696	2.210	79	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C[5]-3:C-3:O-1:	C(CC[5]O)(OC)(O)	O(CH3)(CCO)	C(C[5]C[5]2)(COO)(O)	C(CC[5]O)(OC)(O)	O(CH3)(CCO)	C(C[5]C[5]2)(COO)(O)	109.1955	1.271	2	109.1955	1.615	2	109.1955	1.615	2	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C[5a]-3:C-3:H-1:	C(CC[5a]H)(OC)(O)	O(CCHH)(CCO)	C(C[5a]C[5a,6a]S[5a])(COO)(H)	C(CC[5a]H)(OC)(O)	O(CCHH)(CCO)	C(C[5a]C[5a,6a]S[5a])(COO)(H)	111.0525	1.568	2	111.0525	2.458	2	111.6304	2.012	18	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C[5a]-3:C-3:H-1:	C(CC[5a]H)(OC)(O)	O(CCHH)(CCO)	C(C[5a]C[5a]S[5a])(COO)(H)	C(CC[5a]H)(OC)(O)	O(CCHH)(CCO)	C(C[5a]C[5a]S[5a])(COO)(H)	112.0920	2.915	3	112.0920	8.496	3	111.6304	2.012	18	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C[5a]-3:C-3:H-1:	C(CC[5a]H)(OC)(O)	O(CH3)(CCO)	C(C[5a]C[5a,6a]O[5a])(COO)(H)	C(CC[5a]H)(OC)(O)	O(CH3)(CCO)	C(C[5a]C[5a,6a]O[5a])(COO)(H)	111.4945	3.351	2	111.4945	11.229	2	111.6304	2.012	18	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C[5a]-3:C-3:H-1:	C(CC[5a]H)(OC)(O)	O(CH3)(CCO)	C(C[5a]C[5a]S[5a])(COO)(H)	C(CC[5a]H)(OC)(O)	O(CH3)(CCO)	C(C[5a]C[5a]S[5a])(COO)(H)	111.5601	0.419	10	111.5601	0.176	10	111.6304	2.012	18	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C[5a]-3:C-3:H-1:	C(CC[5a]H)(OC)(O)	O(CH3)(CCO)	C(C[5a]N[5,5a]C[5a])(COO)(H)	C(CC[5a]H)(OC)(O)	O(CH3)(CCO)	C(C[5a]N[5,5a]C[5a])(COO)(H)	112.3760	0.000	1	112.3760	0.000	1	111.6304	2.012	18	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C[5a]-3:C-3:O-1:	C(CC[5a]O)(OC)(O)	O(CCHH)(CCO)	C(C[5a]C[5a,6a]C[5a])(COO)(O)	C(CC[5a]O)(OC)(O)	O(CCHH)(CCO)	C(C[5a]C[5a,6a]C[5a])(COO)(O)	111.4160	0.000	1	111.4160	0.000	1	111.2166	0.462	11	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C[5a]-3:C-3:O-1:	C(CC[5a]O)(OC)(O)	O(CCHH)(CCO)	C(C[5a]C[5a]2)(COO)(O)	C(CC[5a]O)(OC)(O)	O(CCHH)(CCO)	C(C[5a]C[5a]2)(COO)(O)	111.0880	0.882	3	111.0880	0.778	3	111.2166	0.462	11	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C[5a]-3:C-3:O-1:	C(CC[5a]O)(OC)(O)	O(CCHH)(CCO)	C(C[5a]C[5a]N[5a])(COO)(O)	C(CC[5a]O)(OC)(O)	O(CCHH)(CCO)	C(C[5a]C[5a]N[5a])(COO)(O)	111.1003	0.334	3	111.1003	0.112	3	111.2166	0.462	11	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C[5a]-3:C-3:O-1:	C(CC[5a]O)(OC)(O)	O(CCHH)(CCO)	C(C[5a]N[5,5a]C[5a])(COO)(O)	C(CC[5a]O)(OC)(O)	O(CCHH)(CCO)	C(C[5a]N[5,5a]C[5a])(COO)(O)	111.9170	0.000	1	111.9170	0.000	1	111.2166	0.462	11	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C[5a]-3:C-3:O-1:	C(CC[5a]O)(OC)(O)	O(CH3)(CCO)	C(C[5a]C[5a,6a]C[5,5a])(COO)(O)	C(CC[5a]O)(OC)(O)	O(CH3)(CCO)	C(C[5a]C[5a,6a]C[5,5a])(COO)(O)	111.8790	0.000	1	111.8790	0.000	1	111.2166	0.462	11	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C[5a]-3:C-3:O-1:	C(CC[5a]O)(OC)(O)	O(CH3)(CCO)	C(C[5a]C[5a,6a]C[5a])(COO)(O)	C(CC[5a]O)(OC)(O)	O(CH3)(CCO)	C(C[5a]C[5a,6a]C[5a])(COO)(O)	110.8030	1.201	2	110.8030	1.442	2	111.2166	0.462	11	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C[6,6]-3:C-3:H-1:	C(CC[6,6]H)(OC)(O)	O(CCHH)(CCO)	C(C[6,6]C[3x6]2)(COO)(H)	C(CC[6,6]H)(OC)(O)	O(CCHH)(CCO)	C(C[6,6]C[3x6]2)(COO)(H)	110.0300	0.000	1	110.0300	0.000	1	110.0300	0.000	1	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C[6]-3:C-3:Br-1:	C(CC[6]Br)(OC)(O)	O(CH3)(CCO)	C(C[6]C[6]2)(COO)(Br)	C(CC[6]Br)(OC)(O)	O(CH3)(CCO)	C(C[6]C[6]2)(COO)(Br)	111.6790	0.000	1	111.6790	0.000	1	111.6790	0.000	1	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C[6]-3:C-3:F-1:	C(CC[6]F)(OC)(O)	O(CCHH)(CCO)	C(C[6]C[6,6a]N[6])(COO)(F)	C(CC[6]F)(OC)(O)	O(CCHH)(CCO)	C(C[6]C[6,6a]N[6])(COO)(F)	111.0470	0.000	1	111.0470	0.000	1	111.0470	0.000	1	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C[6]-3:C-3:H-1:	C(CC[6]H)(OC)(O)	O(CCCH)(CCO)	C(C[6]C[6]O[6])(COO)(H)	C(CC[6]H)(OC)(O)	O(CCCH)(CCO)	C(C[6]C[6]O[6])(COO)(H)	110.0100	0.000	1	110.0100	0.000	1	110.5957	3.222	51	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C[6]-3:C-3:H-1:	C(CC[6]H)(OC)(O)	O(CCHH)(CCO)	C(C[6]C[5,6]C[6])(COO)(H)	C(CC[6]H)(OC)(O)	O(CCHH)(CCO)	C(C[6]C[5,6]C[6])(COO)(H)	109.9180	0.000	1	109.9180	0.000	1	110.5957	3.222	51	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C[6]-3:C-3:H-1:	C(CC[6]H)(OC)(O)	O(CCHH)(CCO)	C(C[6]C[5,6]O[6])(COO)(H)	C(CC[6]H)(OC)(O)	O(CCHH)(CCO)	C(C[6]C[5,6]O[6])(COO)(H)	115.9150	0.000	1	115.9150	0.000	1	110.5957	3.222	51	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C[6]-3:C-3:H-1:	C(CC[6]H)(OC)(O)	O(CCHH)(CCO)	C(C[6]C[6,6]C[6])(COO)(H)	C(CC[6]H)(OC)(O)	O(CCHH)(CCO)	C(C[6]C[6,6]C[6])(COO)(H)	110.1150	0.000	1	110.1150	0.000	1	110.5957	3.222	51	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C[6]-3:C-3:H-1:	C(CC[6]H)(OC)(O)	O(CCHH)(CCO)	C(C[6]C[6,6]N[6])(COO)(H)	C(CC[6]H)(OC)(O)	O(CCHH)(CCO)	C(C[6]C[6,6]N[6])(COO)(H)	110.6003	1.567	3	110.6003	2.456	3	110.5957	3.222	51	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C[6]-3:C-3:H-1:	C(CC[6]H)(OC)(O)	O(CCHH)(CCO)	C(C[6]C[6,6a]C[6])(COO)(H)	C(CC[6]H)(OC)(O)	O(CCHH)(CCO)	C(C[6]C[6,6a]C[6])(COO)(H)	109.7460	0.595	4	109.7460	0.354	4	110.5957	3.222	51	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C[6]-3:C-3:H-1:	C(CC[6]H)(OC)(O)	O(CCHH)(CCO)	C(C[6]C[6,6a]N[6])(COO)(H)	C(CC[6]H)(OC)(O)	O(CCHH)(CCO)	C(C[6]C[6,6a]N[6])(COO)(H)	110.1640	0.000	1	110.1640	0.000	1	110.5957	3.222	51	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C[6]-3:C-3:H-1:	C(CC[6]H)(OC)(O)	O(CCHH)(CCO)	C(C[6]C[6,6a]O[6])(COO)(H)	C(CC[6]H)(OC)(O)	O(CCHH)(CCO)	C(C[6]C[6,6a]O[6])(COO)(H)	110.0300	0.000	1	110.0300	0.000	1	110.5957	3.222	51	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C[6]-3:C-3:H-1:	C(CC[6]H)(OC)(O)	O(CCHH)(CCO)	C(C[6]C[6]2)(COO)(H)	C(CC[6]H)(OC)(O)	O(CCHH)(CCO)	C(C[6]C[6]2)(COO)(H)	108.9910	0.000	1	108.9910	0.000	1	110.5957	3.222	51	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C[6]-3:C-3:H-1:	C(CC[6]H)(OC)(O)	O(CCHH)(CCO)	C(C[6]C[6]N[6])(COO)(H)	C(CC[6]H)(OC)(O)	O(CCHH)(CCO)	C(C[6]C[6]N[6])(COO)(H)	112.4290	0.304	3	112.4290	0.093	3	110.5957	3.222	51	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C[6]-3:C-3:H-1:	C(CC[6]H)(OC)(O)	O(CCHH)(CCO)	C(C[6]C[6]O[6])(COO)(H)	C(CC[6]H)(OC)(O)	O(CCHH)(CCO)	C(C[6]C[6]O[6])(COO)(H)	110.7741	2.532	10	110.7741	6.411	10	110.5957	3.222	51	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C[6]-3:C-3:H-1:	C(CC[6]H)(OC)(O)	O(CCHH)(CCO)	C(C[6]N[6]S[6])(COO)(H)	C(CC[6]H)(OC)(O)	O(CCHH)(CCO)	C(C[6]N[6]S[6])(COO)(H)	110.8890	0.305	2	110.8890	0.093	2	110.5957	3.222	51	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C[6]-3:C-3:H-1:	C(CC[6]H)(OC)(O)	O(CC[6a]HH)(CCO)	C(C[6]C[6]O[6])(COO)(H)	C(CC[6]H)(OC)(O)	O(CC[6a]HH)(CCO)	C(C[6]C[6]O[6])(COO)(H)	109.3083	0.430	4	109.3083	0.185	4	110.5957	3.222	51	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C[6]-3:C-3:H-1:	C(CC[6]H)(OC)(O)	O(CC[6a]HH)(CCO)	C(C[6]N[5,6]C[6])(COO)(H)	C(CC[6]H)(OC)(O)	O(CC[6a]HH)(CCO)	C(C[6]N[5,6]C[6])(COO)(H)	108.7250	0.000	1	108.7250	0.000	1	110.5957	3.222	51	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C[6]-3:C-3:H-1:	C(CC[6]H)(OC)(O)	O(CH3)(CCO)	C(C[6]C[5a,6]C[6])(COO)(H)	C(CC[6]H)(OC)(O)	O(CH3)(CCO)	C(C[6]C[5a,6]C[6])(COO)(H)	108.7330	0.000	1	108.7330	0.000	1	110.5957	3.222	51	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C[6]-3:C-3:H-1:	C(CC[6]H)(OC)(O)	O(CH3)(CCO)	C(C[6]C[5a,6]N[6])(COO)(H)	C(CC[6]H)(OC)(O)	O(CH3)(CCO)	C(C[6]C[5a,6]N[6])(COO)(H)	110.3580	0.000	1	110.3580	0.000	1	110.5957	3.222	51	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C[6]-3:C-3:H-1:	C(CC[6]H)(OC)(O)	O(CH3)(CCO)	C(C[6]C[6,6]C[6])(COO)(H)	C(CC[6]H)(OC)(O)	O(CH3)(CCO)	C(C[6]C[6,6]C[6])(COO)(H)	109.8400	0.000	1	109.8400	0.000	1	110.5957	3.222	51	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C[6]-3:C-3:H-1:	C(CC[6]H)(OC)(O)	O(CH3)(CCO)	C(C[6]C[6,6a]C[5,6])(COO)(H)	C(CC[6]H)(OC)(O)	O(CH3)(CCO)	C(C[6]C[6,6a]C[5,6])(COO)(H)	109.2250	0.000	1	109.2250	0.000	1	110.5957	3.222	51	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C[6]-3:C-3:H-1:	C(CC[6]H)(OC)(O)	O(CH3)(CCO)	C(C[6]C[6,6a]C[6,6])(COO)(H)	C(CC[6]H)(OC)(O)	O(CH3)(CCO)	C(C[6]C[6,6a]C[6,6])(COO)(H)	109.4460	0.000	1	109.4460	0.000	1	110.5957	3.222	51	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C[6]-3:C-3:H-1:	C(CC[6]H)(OC)(O)	O(CH3)(CCO)	C(C[6]C[6,6a]C[6])(COO)(H)	C(CC[6]H)(OC)(O)	O(CH3)(CCO)	C(C[6]C[6,6a]C[6])(COO)(H)	108.9680	0.000	1	108.9680	0.000	1	110.5957	3.222	51	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C[6]-3:C-3:H-1:	C(CC[6]H)(OC)(O)	O(CH3)(CCO)	C(C[6]C[6,6a]N[6])(COO)(H)	C(CC[6]H)(OC)(O)	O(CH3)(CCO)	C(C[6]C[6,6a]N[6])(COO)(H)	108.1480	0.000	1	108.1480	0.000	1	110.5957	3.222	51	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C[6]-3:C-3:H-1:	C(CC[6]H)(OC)(O)	O(CH3)(CCO)	C(C[6]C[6]2)(COO)(H)	C(CC[6]H)(OC)(O)	O(CH3)(CCO)	C(C[6]C[6]2)(COO)(H)	111.8220	0.000	1	111.8220	0.000	1	110.5957	3.222	51	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C[6]-3:C-3:H-1:	C(CC[6]H)(OC)(O)	O(CH3)(CCO)	C(C[6]C[6]N[6])(COO)(H)	C(CC[6]H)(OC)(O)	O(CH3)(CCO)	C(C[6]C[6]N[6])(COO)(H)	112.2561	0.561	7	112.2561	0.315	7	110.5957	3.222	51	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C[6]-3:C-3:H-1:	C(CC[6]H)(OC)(O)	O(CH3)(CCO)	C(C[6]C[6]O[6])(COO)(H)	C(CC[6]H)(OC)(O)	O(CH3)(CCO)	C(C[6]C[6]O[6])(COO)(H)	109.2970	0.000	1	109.2970	0.000	1	110.5957	3.222	51	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C[6]-3:C-3:H-1:	C(CC[6]H)(OC)(O)	O(CH3)(CCO)	C(C[6]N[6]S[6])(COO)(H)	C(CC[6]H)(OC)(O)	O(CH3)(CCO)	C(C[6]N[6]S[6])(COO)(H)	110.0580	0.000	1	110.0580	0.000	1	110.5957	3.222	51	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C[6a]-3:C-3:O-1:	C(CC[6a]O)(OC)(O)	O(CCCH)(CCO)	C(C[6a]C[6a]2)(COO)(O)	C(CC[6a]O)(OC)(O)	O(CCCH)(CCO)	C(C[6a]C[6a]2)(COO)(O)	112.0310	0.000	1	112.0310	0.000	1	110.7716	2.952	10	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C[6a]-3:C-3:O-1:	C(CC[6a]O)(OC)(O)	O(CCHH)(CCO)	C(C[6a]C[6a]2)(COO)(O)	C(CC[6a]O)(OC)(O)	O(CCHH)(CCO)	C(C[6a]C[6a]2)(COO)(O)	108.4990	0.550	2	108.4990	0.303	2	110.7716	2.952	10	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C[6a]-3:C-3:O-1:	C(CC[6a]O)(OC)(O)	O(CH3)(CCO)	C(C[6a]C[6a,6a]C[6a])(COO)(O)	C(CC[6a]O)(OC)(O)	O(CH3)(CCO)	C(C[6a]C[6a,6a]C[6a])(COO)(O)	110.5850	0.000	1	110.5850	0.000	1	110.7716	2.952	10	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	C[6a]-3:C-3:O-1:	C(CC[6a]O)(OC)(O)	O(CH3)(CCO)	C(C[6a]C[6a]2)(COO)(O)	C(CC[6a]O)(OC)(O)	O(CH3)(CCO)	C(C[6a]C[6a]2)(COO)(O)	111.3503	1.569	6	111.3503	2.461	6	110.7716	2.952	10	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	N-3:C-3:H-1:	C(CHN)(OC)(O)	O(CH3)(CCO)	C(NZrN)(COO)(H)	C(CHN)(OC)(O)	O(CH3)(CCO)	C(NZrN)(COO)(H)	114.2920	0.000	1	114.2920	0.000	1	114.2920	0.000	1	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	N-3:C-3:O-1:	C(CNO)(OC)(O)	O(CCCH)(CCO)	C(NC[6a]C)(COO)(O)	C(CNO)(OC)(O)	O(CCCH)(CCO)	C(NC[6a]C)(COO)(O)	108.6720	0.000	1	108.6720	0.000	1	110.7959	0.729	38	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	N-3:C-3:O-1:	C(CNO)(OC)(O)	O(CCHH)(CCO)	C(NC[6]H)(COO)(O)	C(CNO)(OC)(O)	O(CCHH)(CCO)	C(NC[6]H)(COO)(O)	111.6700	0.000	1	111.6700	0.000	1	110.7959	0.729	38	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	N-3:C-3:O-1:	C(CNO)(OC)(O)	O(CCHH)(CCO)	C(NC[6]S)(COO)(O)	C(CNO)(OC)(O)	O(CCHH)(CCO)	C(NC[6]S)(COO)(O)	110.9860	0.000	1	110.9860	0.000	1	110.7959	0.729	38	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	N-3:C-3:O-1:	C(CNO)(OC)(O)	O(CCHH)(CCO)	C(NC[6a]H)(COO)(O)	C(CNO)(OC)(O)	O(CCHH)(CCO)	C(NC[6a]H)(COO)(O)	110.8417	0.804	34	110.8417	0.647	34	110.7959	0.729	38	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	N-3:C-3:O-1:	C(CNO)(OC)(O)	O(CH3)(CCO)	C(NC[6a]H)(COO)(O)	C(CNO)(OC)(O)	O(CH3)(CCO)	C(NC[6a]H)(COO)(O)	110.2980	0.000	1	110.2980	0.000	1	110.7959	0.729	38	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	N-3:C-3:S-1:	C(CNS)(OC)(O)	O(CCHH)(CCO)	C(NC[6]H)(COO)(S)	C(CNS)(OC)(O)	O(CCHH)(CCO)	C(NC[6]H)(COO)(S)	111.3590	0.744	2	111.3590	0.553	2	111.3590	0.553	2	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	N[5]-3:C-3:O-1:	C(CN[5]O)(OC)(O)	O(CCHH)(CCO)	C(N[5]C[5,6a]C[5])(COO)(O)	C(CN[5]O)(OC)(O)	O(CCHH)(CCO)	C(N[5]C[5,6a]C[5])(COO)(O)	110.5130	0.000	1	110.5130	0.000	1	110.5130	0.000	1	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C-4:C-3:	N[6]-3:C-3:O-1:	C(CN[6]O)(OC)(O)	O(CCHH)(CCO)	C(N[6]C[6]2)(COO)(O)	C(CN[6]O)(OC)(O)	O(CCHH)(CCO)	C(N[6]C[6]2)(COO)(O)	111.7220	0.000	1	111.7220	0.000	1	111.7220	0.000	1	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C[6]-4:C-3:	C[6]-3:C-3:H-1:	C(CC[6]H)(OC[6])(O)	O(C[6]C[6]2H)(CCO)	C(C[6]C[6]2)(COO)(H)	C(CC[6]H)(OC[6])(O)	O(C[6]C[6]2H)(CCO)	C(C[6]C[6]2)(COO)(H)	109.2270	0.000	1	109.2270	0.000	1	109.2270	0.000	1	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	C[6]-4:C-3:	C[6a]-3:C-3:O-1:	C(CC[6a]O)(OC[6])(O)	O(C[6]C[6]2H)(CCO)	C(C[6a]C[6a]2)(COO)(O)	C(CC[6a]O)(OC[6])(O)	O(C[6]C[6]2H)(CCO)	C(C[6a]C[6a]2)(COO)(O)	111.6670	0.000	1	111.6670	0.000	1	111.6670	0.000	1	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:1:	C-3:O-2:O-1:	P-4:C-3:	C-3:C-3:H-1:	C(CCH)(OP)(O)	O(PC[6a]MoS)(CCO)	C(CHH)(COO)(H)	C(CCH)(OP)(O)	O(PC[6a]MoS)(CCO)	C(CHH)(COO)(H)	109.3570	0.000	1	109.3570	0.000	1	109.3570	0.000	1	111.3798	5.567	817	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:2:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:C-2:	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CCC)(COO)(CN)	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CCC)(COO)(CN)	110.3920	0.000	1	110.3920	0.000	1	111.6433	0.960	81	111.8976	2.000	348	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:2:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:C-2:	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CC[5a]H)(COO)(CN)	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CC[5a]H)(COO)(CN)	111.7998	0.464	10	111.7998	0.215	10	111.6433	0.960	81	111.8976	2.000	348	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:2:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:C-2:	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CC[6]H)(COO)(CN)	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CC[6]H)(COO)(CN)	112.0440	0.000	1	112.0440	0.000	1	111.6433	0.960	81	111.8976	2.000	348	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:2:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:C-2:	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CC[6a]C[5])(COO)(CN)	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CC[6a]C[5])(COO)(CN)	110.1700	0.000	1	110.1700	0.000	1	111.6433	0.960	81	111.8976	2.000	348	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:2:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:C-2:	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CC[6a]H)(COO)(CN)	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CC[6a]H)(COO)(CN)	111.9111	0.527	22	111.9111	0.278	22	111.6433	0.960	81	111.8976	2.000	348	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:2:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:C-2:	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CC[6a]N)(COO)(CN)	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CC[6a]N)(COO)(CN)	111.6825	0.301	2	111.6825	0.090	2	111.6433	0.960	81	111.8976	2.000	348	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:2:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:C-2:	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CHN)(COO)(CN)	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CHN)(COO)(CN)	112.1524	1.089	11	112.1524	1.185	11	111.6433	0.960	81	111.8976	2.000	348	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:2:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:C-2:	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CHO)(COO)(CC)	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CHO)(COO)(CC)	111.6870	0.000	1	111.6870	0.000	1	111.6433	0.960	81	111.8976	2.000	348	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:2:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:C-2:	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CNS)(COO)(CN)	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CNS)(COO)(CN)	111.2200	0.000	1	111.2200	0.000	1	111.6433	0.960	81	111.8976	2.000	348	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:2:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:C-2:	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CN[6]C)(COO)(CN)	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CN[6]C)(COO)(CN)	110.8095	0.346	4	110.8095	0.120	4	111.6433	0.960	81	111.8976	2.000	348	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:2:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:C-2:	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(COO)(CSS)(CN)	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(COO)(CSS)(CN)	112.4960	0.000	1	112.4960	0.000	1	111.6433	0.960	81	111.8976	2.000	348	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:2:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:C-2:	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(COO)2(CC)	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(COO)2(CC)	110.3210	0.717	3	110.3210	0.514	3	111.6433	0.960	81	111.8976	2.000	348	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:2:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:C-2:	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CCH)(COO)(COs)	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CCH)(COO)(COs)	112.6110	0.000	1	112.6110	0.000	1	111.6433	0.960	81	111.8976	2.000	348	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:2:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:C-2:	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CCS)(COO)(CN)	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CCS)(COO)(CN)	109.2890	0.000	1	109.2890	0.000	1	111.6433	0.960	81	111.8976	2.000	348	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:2:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:C-2:	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CC[5]H)(COO)(CN)	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CC[5]H)(COO)(CN)	111.4330	0.000	1	111.4330	0.000	1	111.6433	0.960	81	111.8976	2.000	348	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:2:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:C-2:	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CC[5a]H)(COO)(CN)	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CC[5a]H)(COO)(CN)	112.3860	0.000	1	112.3860	0.000	1	111.6433	0.960	81	111.8976	2.000	348	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:2:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:C-2:	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CC[6a]H)(COO)(CC)	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CC[6a]H)(COO)(CC)	112.2960	0.044	2	112.2960	0.002	2	111.6433	0.960	81	111.8976	2.000	348	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:2:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:C-2:	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CC[6a]H)(COO)(CN)	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CC[6a]H)(COO)(CN)	111.1611	1.378	14	111.1611	1.899	14	111.6433	0.960	81	111.8976	2.000	348	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:2:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:C-2:	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CHN)(COO)(CN)	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CHN)(COO)(CN)	112.5430	0.686	2	112.5430	0.470	2	111.6433	0.960	81	111.8976	2.000	348	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:2:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:C-2:	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CRuC)(COO)(CN)	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CRuC)(COO)(CN)	112.1590	0.000	1	112.1590	0.000	1	111.6433	0.960	81	111.8976	2.000	348	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:2:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:N-2:	C(CCN)(OC)(O)	O(CCHH)(CCO)	C(CCH)(COO)(NS)	C(CCN)(OC)(O)	O(CCHH)(CCO)	C(CCH)(COO)(NS)	112.4240	0.000	1	112.4240	0.000	1	113.1397	2.685	50	111.8976	2.000	348	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:2:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:N-2:	C(CCN)(OC)(O)	O(CCHH)(CCO)	C(CCN)(COO)(NN)	C(CCN)(OC)(O)	O(CCHH)(CCO)	C(CCN)(COO)(NN)	112.0430	0.000	1	112.0430	0.000	1	113.1397	2.685	50	111.8976	2.000	348	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:2:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:N-2:	C(CCN)(OC)(O)	O(CCHH)(CCO)	C(CCN)(COO)(NO)	C(CCN)(OC)(O)	O(CCHH)(CCO)	C(CCN)(COO)(NO)	112.0720	0.000	1	112.0720	0.000	1	113.1397	2.685	50	111.8976	2.000	348	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:2:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:N-2:	C(CCN)(OC)(O)	O(CCHH)(CCO)	C(CCO)(COO)(NN)	C(CCN)(OC)(O)	O(CCHH)(CCO)	C(CCO)(COO)(NN)	113.6107	1.437	27	113.6107	2.064	27	113.1397	2.685	50	111.8976	2.000	348	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:2:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:N-2:	C(CCN)(OC)(O)	O(CCHH)(CCO)	C(CC[6a]H)(COO)(NP)	C(CCN)(OC)(O)	O(CCHH)(CCO)	C(CC[6a]H)(COO)(NP)	114.5560	0.583	6	114.5560	0.340	6	113.1397	2.685	50	111.8976	2.000	348	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:2:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:N-2:	C(CCN)(OC)(O)	O(CCHH)(CCO)	C(CC[6a]O)(COO)(NO)	C(CCN)(OC)(O)	O(CCHH)(CCO)	C(CC[6a]O)(COO)(NO)	111.1880	0.000	1	111.1880	0.000	1	113.1397	2.685	50	111.8976	2.000	348	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:2:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:N-2:	C(CCN)(OC)(O)	O(CCHH)(CCO)	C(CNO)(COO)(NN)	C(CCN)(OC)(O)	O(CCHH)(CCO)	C(CNO)(COO)(NN)	113.5610	0.000	1	113.5610	0.000	1	113.1397	2.685	50	111.8976	2.000	348	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:2:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:N-2:	C(CCN)(OC)(O)	O(CCHH)(CCO)	C(COsO)(COO)(NN)	C(CCN)(OC)(O)	O(CCHH)(CCO)	C(COsO)(COO)(NN)	115.8980	0.000	1	115.8980	0.000	1	113.1397	2.685	50	111.8976	2.000	348	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:2:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:N-2:	C(CCN)(OC)(O)	O(CC[6a]HH)(CCO)	C(CCO)(COO)(NO)	C(CCN)(OC)(O)	O(CC[6a]HH)(CCO)	C(CCO)(COO)(NO)	111.8100	0.000	1	111.8100	0.000	1	113.1397	2.685	50	111.8976	2.000	348	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:2:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:N-2:	C(CCN)(OC)(O)	O(CH3)(CCO)	C(CCO)(COO)(NN)	C(CCN)(OC)(O)	O(CH3)(CCO)	C(CCO)(COO)(NN)	110.7080	0.000	1	110.7080	0.000	1	113.1397	2.685	50	111.8976	2.000	348	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:2:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:N-2:	C(CCN)(OC)(O)	O(CH3)(CCO)	C(CCO)(COO)(NO)	C(CCN)(OC)(O)	O(CH3)(CCO)	C(CCO)(COO)(NO)	110.9812	0.554	5	110.9812	0.307	5	113.1397	2.685	50	111.8976	2.000	348	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:2:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:N-2:	C(CCN)(OC)(O)	O(CH3)(CCO)	C(CC[5a]H)(COO)(NC)	C(CCN)(OC)(O)	O(CH3)(CCO)	C(CC[5a]H)(COO)(NC)	112.4005	0.342	2	112.4005	0.117	2	113.1397	2.685	50	111.8976	2.000	348	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:2:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:N-2:	C(CCN)(OC)(O)	O(CH3)(CCO)	C(CC[6a]O)(COO)(NN)	C(CCN)(OC)(O)	O(CH3)(CCO)	C(CC[6a]O)(COO)(NN)	109.9480	0.000	1	109.9480	0.000	1	113.1397	2.685	50	111.8976	2.000	348	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:2:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:N-2:	C(CCN)(OC)(O)	O(CH3)(CCO)	C(CHN)(COO)(NC)	C(CCN)(OC)(O)	O(CH3)(CCO)	C(CHN)(COO)(NC)	112.7990	0.000	1	112.7990	0.000	1	113.1397	2.685	50	111.8976	2.000	348	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:2:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:O-2:	C(CCO)(OC)(O)	O(CC3)(CCO)	C(CCH)(COO)(OC)	C(CCO)(OC)(O)	O(CC3)(CCO)	C(CCH)(COO)(OC)	112.4610	0.000	1	112.4610	0.000	1	112.1968	0.268	17	111.8976	2.000	348	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:2:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:O-2:	C(CCO)(OC)(O)	O(CCHH)(CCO)	C(CCH)(COO)(OC)	C(CCO)(OC)(O)	O(CCHH)(CCO)	C(CCH)(COO)(OC)	112.1780	0.000	1	112.1780	0.000	1	112.1968	0.268	17	111.8976	2.000	348	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:2:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:O-2:	C(CCO)(OC)(O)	O(CCHH)(CCO)	C(CCH)(COO)(OH)	C(CCO)(OC)(O)	O(CCHH)(CCO)	C(CCH)(COO)(OH)	111.9485	0.344	4	111.9485	0.119	4	112.1968	0.268	17	111.8976	2.000	348	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:2:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:O-2:	C(CCO)(OC)(O)	O(CCHH)(CCO)	C(CC[6a]H)(COO)(OC)	C(CCO)(OC)(O)	O(CCHH)(CCO)	C(CC[6a]H)(COO)(OC)	113.2300	0.000	1	113.2300	0.000	1	112.1968	0.268	17	111.8976	2.000	348	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:2:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:O-2:	C(CCO)(OC)(O)	O(CC[6a]HH)(CCO)	C(CCH)(COO)(OC)	C(CCO)(OC)(O)	O(CC[6a]HH)(CCO)	C(CCH)(COO)(OC)	112.5410	0.000	1	112.5410	0.000	1	112.1968	0.268	17	111.8976	2.000	348	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:2:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:O-2:	C(CCO)(OC)(O)	O(CH3)(CCO)	C(CCH)(COO)(OC)	C(CCO)(OC)(O)	O(CH3)(CCO)	C(CCH)(COO)(OC)	112.3110	0.456	3	112.3110	0.208	3	112.1968	0.268	17	111.8976	2.000	348	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:2:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:O-2:	C(CCO)(OC)(O)	O(CH3)(CCO)	C(CCH)(COO)(OPd)	C(CCO)(OC)(O)	O(CH3)(CCO)	C(CCH)(COO)(OPd)	112.6650	0.000	1	112.6650	0.000	1	112.1968	0.268	17	111.8976	2.000	348	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:2:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:O-2:	C(CCO)(OC)(O)	O(CH3)(CCO)	C(CC[5a]H)(COO)(OS)	C(CCO)(OC)(O)	O(CH3)(CCO)	C(CC[5a]H)(COO)(OS)	112.0570	0.000	1	112.0570	0.000	1	112.1968	0.268	17	111.8976	2.000	348	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:2:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:O-2:	C(CCO)(OC)(O)	O(CH3)(CCO)	C(CC[6a]H)(COO)(OC)	C(CCO)(OC)(O)	O(CH3)(CCO)	C(CC[6a]H)(COO)(OC)	112.3700	0.212	2	112.3700	0.045	2	112.1968	0.268	17	111.8976	2.000	348	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:2:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:O-2:	C(CCO)(OC)(O)	O(CH3)(CCO)	C(CN[5a]H)(COO)(OC)	C(CCO)(OC)(O)	O(CH3)(CCO)	C(CN[5a]H)(COO)(OC)	111.7450	0.000	1	111.7450	0.000	1	112.1968	0.268	17	111.8976	2.000	348	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:2:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:O-2:	C(CCO)(OC)(O)	O(CH3)(CCO)	C(CPdC)(COO)(ON)	C(CCO)(OC)(O)	O(CH3)(CCO)	C(CPdC)(COO)(ON)	111.0010	0.000	1	111.0010	0.000	1	112.1968	0.268	17	111.8976	2.000	348	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:2:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:S-2:	C(CCS)(OC)(O)	O(CCHH)(CCO)	C(CCH)(COO)(SC)	C(CCS)(OC)(O)	O(CCHH)(CCO)	C(CCH)(COO)(SC)	110.9280	0.000	1	110.9280	0.000	1	111.7377	1.474	101	111.8976	2.000	348	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:2:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:S-2:	C(CCS)(OC)(O)	O(CCHH)(CCO)	C(CCS)(COO)(SFe)	C(CCS)(OC)(O)	O(CCHH)(CCO)	C(CCS)(COO)(SFe)	111.1075	1.479	2	111.1075	2.186	2	111.7377	1.474	101	111.8976	2.000	348	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:2:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:S-2:	C(CCS)(OC)(O)	O(CCHH)(CCO)	C(CC[5]C)(COO)(SC)	C(CCS)(OC)(O)	O(CCHH)(CCO)	C(CC[5]C)(COO)(SC)	111.1260	0.000	1	111.1260	0.000	1	111.7377	1.474	101	111.8976	2.000	348	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:2:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:S-2:	C(CCS)(OC)(O)	O(CCHH)(CCO)	C(CC[6a]N)(COO)(SC)	C(CCS)(OC)(O)	O(CCHH)(CCO)	C(CC[6a]N)(COO)(SC)	110.6673	0.735	3	110.6673	0.541	3	111.7377	1.474	101	111.8976	2.000	348	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:2:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:S-2:	C(CCS)(OC)(O)	O(CCHH)(CCO)	C(CHS)(COO)(SCo)	C(CCS)(OC)(O)	O(CCHH)(CCO)	C(CHS)(COO)(SCo)	112.0740	0.000	1	112.0740	0.000	1	111.7377	1.474	101	111.8976	2.000	348	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:2:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:S-2:	C(CCS)(OC)(O)	O(CH3)(CCO)	C(CCH)(COO)(SC)	C(CCS)(OC)(O)	O(CH3)(CCO)	C(CCH)(COO)(SC)	111.8670	0.000	1	111.8670	0.000	1	111.7377	1.474	101	111.8976	2.000	348	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:2:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:S-2:	C(CCS)(OC)(O)	O(CH3)(CCO)	C(CCN)(COO)(SC)	C(CCS)(OC)(O)	O(CH3)(CCO)	C(CCN)(COO)(SC)	110.6340	0.000	1	110.6340	0.000	1	111.7377	1.474	101	111.8976	2.000	348	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:2:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:S-2:	C(CCS)(OC)(O)	O(CH3)(CCO)	C(CCS)(COO)(SCo)	C(CCS)(OC)(O)	O(CH3)(CCO)	C(CCS)(COO)(SCo)	111.9890	1.305	2	111.9890	1.704	2	111.7377	1.474	101	111.8976	2.000	348	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:2:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:S-2:	C(CCS)(OC)(O)	O(CH3)(CCO)	C(CCS)(COO)(SCu)	C(CCS)(OC)(O)	O(CH3)(CCO)	C(CCS)(COO)(SCu)	112.1797	1.475	4	112.1797	2.175	4	111.7377	1.474	101	111.8976	2.000	348	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:2:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:S-2:	C(CCS)(OC)(O)	O(CH3)(CCO)	C(CCS)(COO)(SFe)	C(CCS)(OC)(O)	O(CH3)(CCO)	C(CCS)(COO)(SFe)	111.2729	0.673	8	111.2729	0.453	8	111.7377	1.474	101	111.8976	2.000	348	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:2:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:S-2:	C(CCS)(OC)(O)	O(CH3)(CCO)	C(CCS)(COO)(SIr)	C(CCS)(OC)(O)	O(CH3)(CCO)	C(CCS)(COO)(SIr)	112.2548	1.869	4	112.2548	3.495	4	111.7377	1.474	101	111.8976	2.000	348	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:2:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:S-2:	C(CCS)(OC)(O)	O(CH3)(CCO)	C(CCS)(COO)(SMo)	C(CCS)(OC)(O)	O(CH3)(CCO)	C(CCS)(COO)(SMo)	111.6337	1.375	35	111.6337	1.891	35	111.7377	1.474	101	111.8976	2.000	348	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:2:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:S-2:	C(CCS)(OC)(O)	O(CH3)(CCO)	C(CCS)(COO)(SNi)	C(CCS)(OC)(O)	O(CH3)(CCO)	C(CCS)(COO)(SNi)	111.7223	1.125	6	111.7223	1.266	6	111.7377	1.474	101	111.8976	2.000	348	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:2:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:S-2:	C(CCS)(OC)(O)	O(CH3)(CCO)	C(CCS)(COO)(SPt)	C(CCS)(OC)(O)	O(CH3)(CCO)	C(CCS)(COO)(SPt)	112.0610	0.143	2	112.0610	0.020	2	111.7377	1.474	101	111.8976	2.000	348	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:2:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:S-2:	C(CCS)(OC)(O)	O(CH3)(CCO)	C(CCS)(COO)(SRh)	C(CCS)(OC)(O)	O(CH3)(CCO)	C(CCS)(COO)(SRh)	111.5255	0.405	4	111.5255	0.164	4	111.7377	1.474	101	111.8976	2.000	348	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:2:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:S-2:	C(CCS)(OC)(O)	O(CH3)(CCO)	C(CCS)(COO)(SW)	C(CCS)(OC)(O)	O(CH3)(CCO)	C(CCS)(COO)(SW)	112.0651	1.286	20	112.0651	1.653	20	111.7377	1.474	101	111.8976	2.000	348	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:2:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:S-2:	C(CCS)(OC)(O)	O(CH3)(CCO)	C(CCS)(COO)(SZn)	C(CCS)(OC)(O)	O(CH3)(CCO)	C(CCS)(COO)(SZn)	112.0310	0.846	4	112.0310	0.716	4	111.7377	1.474	101	111.8976	2.000	348	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:2:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:S-2:	C(CCS)(OC)(O)	O(CH3)(CCO)	C(CHS)(COO)(SIr)	C(CCS)(OC)(O)	O(CH3)(CCO)	C(CHS)(COO)(SIr)	112.7985	1.322	2	112.7985	1.747	2	111.7377	1.474	101	111.8976	2.000	348	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:2:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:Se-2:	C(CSeC)(OC)(O)	O(CH3)(CCO)	C(CSeC)(COO)(SeW)	C(CSeC)(OC)(O)	O(CH3)(CCO)	C(CSeC)(COO)(SeW)	113.8075	2.796	4	113.8075	7.818	4	113.8075	7.818	4	111.8976	2.000	348	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:2:	C-3:O-2:O-1:	C-4:C-3:	C-3:S-3:N-2:	C(CNS)(OC)(O)	O(CCHH)(CCO)	C(COO)(SCC)(NN)	C(CNS)(OC)(O)	O(CCHH)(CCO)	C(COO)(SCC)(NN)	111.7570	0.000	1	111.7570	0.000	1	111.7570	0.000	1	111.8976	2.000	348	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:2:	C-3:O-2:O-1:	C-4:C-3:	C[5]-3:C-3:C-2:	C(CC[5]C)(OC)(O)	O(CC3)(CCO)	C(C[5]C[5]N[5])(COO)(CN)	C(CC[5]C)(OC)(O)	O(CC3)(CCO)	C(C[5]C[5]N[5])(COO)(CN)	112.3210	0.000	1	112.3210	0.000	1	111.2587	1.100	7	111.8976	2.000	348	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:2:	C-3:O-2:O-1:	C-4:C-3:	C[5]-3:C-3:C-2:	C(CC[5]C)(OC)(O)	O(CCHH)(CCO)	C(C[5]C[5,6a]2)(COO)(CN)	C(CC[5]C)(OC)(O)	O(CCHH)(CCO)	C(C[5]C[5,6a]2)(COO)(CN)	109.9420	0.465	2	109.9420	0.216	2	111.2587	1.100	7	111.8976	2.000	348	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:2:	C-3:O-2:O-1:	C-4:C-3:	C[5]-3:C-3:C-2:	C(CC[5]C)(OC)(O)	O(CCHH)(CCO)	C(C[5]N[5]2)(COO)(CN)	C(CC[5]C)(OC)(O)	O(CCHH)(CCO)	C(C[5]N[5]2)(COO)(CN)	111.3260	0.000	1	111.3260	0.000	1	111.2587	1.100	7	111.8976	2.000	348	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:2:	C-3:O-2:O-1:	C-4:C-3:	C[5]-3:C-3:C-2:	C(CC[5]C)(OC)(O)	O(CCHH)(CCO)	C(C[5]N[5]S[5])(COO)(CN)	C(CC[5]C)(OC)(O)	O(CCHH)(CCO)	C(C[5]N[5]S[5])(COO)(CN)	111.7600	0.718	3	111.7600	0.515	3	111.2587	1.100	7	111.8976	2.000	348	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:2:	C-3:O-2:O-1:	C-4:C-3:	C[5]-3:C-3:N-2:	C(CC[5]N)(OC)(O)	O(CCHH)(CCO)	C(C[5]N[5]2)(COO)(NN)	C(CC[5]N)(OC)(O)	O(CCHH)(CCO)	C(C[5]N[5]2)(COO)(NN)	114.5320	0.000	1	114.5320	0.000	1	114.5320	0.000	1	111.8976	2.000	348	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:2:	C-3:O-2:O-1:	C-4:C-3:	C[5]-3:C-3:O-2:	C(CC[5]O)(OC)(O)	O(CH3)(CCO)	C(C[5]N[5,5]C[5])(COO)(OSi)	C(CC[5]O)(OC)(O)	O(CH3)(CCO)	C(C[5]N[5,5]C[5])(COO)(OSi)	112.4640	0.294	2	112.4640	0.087	2	112.4640	0.087	2	111.8976	2.000	348	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:2:	C-3:O-2:O-1:	C-4:C-3:	C[5a]-3:C-3:C-2:	C(CC[5a]C)(OC)(O)	O(CCHH)(CCO)	C(C[5a]C[5a,6a]2)(COO)(CN)	C(CC[5a]C)(OC)(O)	O(CCHH)(CCO)	C(C[5a]C[5a,6a]2)(COO)(CN)	109.6540	0.000	1	109.6540	0.000	1	110.9680	0.810	4	111.8976	2.000	348	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:2:	C-3:O-2:O-1:	C-4:C-3:	C[5a]-3:C-3:C-2:	C(CC[5a]C)(OC)(O)	O(CCHH)(CCO)	C(C[5a]C[5a,6a]N[5a])(COO)(CN)	C(CC[5a]C)(OC)(O)	O(CCHH)(CCO)	C(C[5a]C[5a,6a]N[5a])(COO)(CN)	111.5225	0.213	2	111.5225	0.045	2	110.9680	0.810	4	111.8976	2.000	348	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:2:	C-3:O-2:O-1:	C-4:C-3:	C[5a]-3:C-3:C-2:	C(CC[5a]C)(OC)(O)	O(CCHH)(CCO)	C(C[5a]C[5a]S[5a])(COO)(CN)	C(CC[5a]C)(OC)(O)	O(CCHH)(CCO)	C(C[5a]C[5a]S[5a])(COO)(CN)	111.1730	0.000	1	111.1730	0.000	1	110.9680	0.810	4	111.8976	2.000	348	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:2:	C-3:O-2:O-1:	C-4:C-3:	C[5a]-3:C-3:N-2:	C(CC[5a]N)(OC)(O)	O(CCHH)(CCO)	C(C[5a]C[5a]N[5a])(COO)(NH)	C(CC[5a]N)(OC)(O)	O(CCHH)(CCO)	C(C[5a]C[5a]N[5a])(COO)(NH)	111.9140	0.000	1	111.9140	0.000	1	111.6023	1.168	12	111.8976	2.000	348	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:2:	C-3:O-2:O-1:	C-4:C-3:	C[5a]-3:C-3:N-2:	C(CC[5a]N)(OC)(O)	O(CCHH)(CCO)	C(C[5a]C[5a]N[5a])(COO)(NO)	C(CC[5a]N)(OC)(O)	O(CCHH)(CCO)	C(C[5a]C[5a]N[5a])(COO)(NO)	110.2610	0.000	1	110.2610	0.000	1	111.6023	1.168	12	111.8976	2.000	348	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:2:	C-3:O-2:O-1:	C-4:C-3:	C[5a]-3:C-3:N-2:	C(CC[5a]N)(OC)(O)	O(CCHH)(CCO)	C(C[5a]C[5a]O[5a])(COO)(NO)	C(CC[5a]N)(OC)(O)	O(CCHH)(CCO)	C(C[5a]C[5a]O[5a])(COO)(NO)	111.1950	0.000	1	111.1950	0.000	1	111.6023	1.168	12	111.8976	2.000	348	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:2:	C-3:O-2:O-1:	C-4:C-3:	C[5a]-3:C-3:N-2:	C(CC[5a]N)(OC)(O)	O(CCHH)(CCO)	C(C[5a]C[5a]S[5a])(COO)(NS)	C(CC[5a]N)(OC)(O)	O(CCHH)(CCO)	C(C[5a]C[5a]S[5a])(COO)(NS)	110.2110	0.598	2	110.2110	0.358	2	111.6023	1.168	12	111.8976	2.000	348	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:2:	C-3:O-2:O-1:	C-4:C-3:	C[5a]-3:C-3:N-2:	C(CC[5a]N)(OC)(O)	O(CCHH)(CCO)	C(C[5a]N[5a]2)(COO)(NN)	C(CC[5a]N)(OC)(O)	O(CCHH)(CCO)	C(C[5a]N[5a]2)(COO)(NN)	112.9487	0.340	3	112.9487	0.115	3	111.6023	1.168	12	111.8976	2.000	348	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:2:	C-3:O-2:O-1:	C-4:C-3:	C[5a]-3:C-3:N-2:	C(CC[5a]N)(OC)(O)	O(CH3)(CCO)	C(C[5a]C[5a,6a]C[5a,6])(COO)(NO)	C(CC[5a]N)(OC)(O)	O(CH3)(CCO)	C(C[5a]C[5a,6a]C[5a,6])(COO)(NO)	111.8185	0.848	2	111.8185	0.719	2	111.6023	1.168	12	111.8976	2.000	348	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:2:	C-3:O-2:O-1:	C-4:C-3:	C[5a]-3:C-3:N-2:	C(CC[5a]N)(OC)(O)	O(CH3)(CCO)	C(C[5a]C[5a]N[5a])(COO)(NO)	C(CC[5a]N)(OC)(O)	O(CH3)(CCO)	C(C[5a]C[5a]N[5a])(COO)(NO)	111.4760	0.216	2	111.4760	0.047	2	111.6023	1.168	12	111.8976	2.000	348	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:2:	C-3:O-2:O-1:	C-4:C-3:	C[6]-3:C-3:C-2:	C(CC[6]C)(OC)(O)	O(CCHH)(CCO)	C(C[6]C[4,6]C[6])(COO)(CN)	C(CC[6]C)(OC)(O)	O(CCHH)(CCO)	C(C[6]C[4,6]C[6])(COO)(CN)	109.5155	0.153	2	109.5155	0.024	2	110.4361	1.287	20	111.8976	2.000	348	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:2:	C-3:O-2:O-1:	C-4:C-3:	C[6]-3:C-3:C-2:	C(CC[6]C)(OC)(O)	O(CCHH)(CCO)	C(C[6]C[6,6a]2)(COO)(CN)	C(CC[6]C)(OC)(O)	O(CCHH)(CCO)	C(C[6]C[6,6a]2)(COO)(CN)	109.2910	0.000	1	109.2910	0.000	1	110.4361	1.287	20	111.8976	2.000	348	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:2:	C-3:O-2:O-1:	C-4:C-3:	C[6]-3:C-3:C-2:	C(CC[6]C)(OC)(O)	O(CCHH)(CCO)	C(C[6]C[6]2)(COO)(CN)	C(CC[6]C)(OC)(O)	O(CCHH)(CCO)	C(C[6]C[6]2)(COO)(CN)	110.6266	1.196	15	110.6266	1.430	15	110.4361	1.287	20	111.8976	2.000	348	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:2:	C-3:O-2:O-1:	C-4:C-3:	C[6]-3:C-3:C-2:	C(CC[6]C)(OC)(O)	O(CCHH)(CCO)	C(C[6]S[6]2)(COO)(CN)	C(CC[6]C)(OC)(O)	O(CCHH)(CCO)	C(C[6]S[6]2)(COO)(CN)	109.8530	0.000	1	109.8530	0.000	1	110.4361	1.287	20	111.8976	2.000	348	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:2:	C-3:O-2:O-1:	C-4:C-3:	C[6]-3:C-3:C-2:	C(CC[6]C)(OC)(O)	O(CH3)(CCO)	C(C[6]S[6]2)(COO)(CN)	C(CC[6]C)(OC)(O)	O(CH3)(CCO)	C(C[6]S[6]2)(COO)(CN)	111.1480	0.000	1	111.1480	0.000	1	110.4361	1.287	20	111.8976	2.000	348	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:2:	C-3:O-2:O-1:	C-4:C-3:	C[6]-3:C-3:N-2:	C(CC[6]N)(OC)(O)	O(CCHH)(CCO)	C(C[6]C[6]N[6])(COO)(NN)	C(CC[6]N)(OC)(O)	O(CCHH)(CCO)	C(C[6]C[6]N[6])(COO)(NN)	111.5515	0.462	2	111.5515	0.213	2	111.5515	0.213	2	111.8976	2.000	348	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:2:	C-3:O-2:O-1:	C-4:C-3:	C[6]-3:C-3:O-2:	C(CC[6]O)(OC)(O)	O(CH3)(CCO)	C(C[6]C[6,6a]C[6])(COO)(OC)	C(CC[6]O)(OC)(O)	O(CH3)(CCO)	C(C[6]C[6,6a]C[6])(COO)(OC)	109.7010	0.000	1	109.7010	0.000	1	111.4245	5.941	2	111.8976	2.000	348	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:2:	C-3:O-2:O-1:	C-4:C-3:	C[6]-3:C-3:O-2:	C(CC[6]O)(OC)(O)	O(CH3)(CCO)	C(C[6]C[6]N[6])(COO)(OC)	C(CC[6]O)(OC)(O)	O(CH3)(CCO)	C(C[6]C[6]N[6])(COO)(OC)	113.1480	0.000	1	113.1480	0.000	1	111.4245	5.941	2	111.8976	2.000	348	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:2:	C-3:O-2:O-1:	C-4:C-3:	C[6a]-3:C-3:C-2:	C(CC[6a]C)(OC)(O)	O(CH3)(CCO)	C(C[6a]C[6a]2)(COO)(CC)	C(CC[6a]C)(OC)(O)	O(CH3)(CCO)	C(C[6a]C[6a]2)(COO)(CC)	112.5310	0.000	1	112.5310	0.000	1	112.5310	0.000	1	111.8976	2.000	348	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:2:	C-3:O-2:O-1:	C-4:C-3:	C[6a]-3:C-3:N-2:	C(CC[6a]N)(OC)(O)	O(CC3)(CCO)	C(C[6a]C[6a]2)(COO)(NN)	C(CC[6a]N)(OC)(O)	O(CC3)(CCO)	C(C[6a]C[6a]2)(COO)(NN)	109.6450	0.000	1	109.6450	0.000	1	111.8858	2.425	41	111.8976	2.000	348	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:2:	C-3:O-2:O-1:	C-4:C-3:	C[6a]-3:C-3:N-2:	C(CC[6a]N)(OC)(O)	O(CCCH)(CCO)	C(C[6a]C[6a]2)(COO)(NS)	C(CC[6a]N)(OC)(O)	O(CCCH)(CCO)	C(C[6a]C[6a]2)(COO)(NS)	110.2170	0.940	2	110.2170	0.884	2	111.8858	2.425	41	111.8976	2.000	348	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:2:	C-3:O-2:O-1:	C-4:C-3:	C[6a]-3:C-3:N-2:	C(CC[6a]N)(OC)(O)	O(CCHH)(CCO)	C(C[6a]C[6a]2)(COO)(NN)	C(CC[6a]N)(OC)(O)	O(CCHH)(CCO)	C(C[6a]C[6a]2)(COO)(NN)	112.2846	1.101	15	112.2846	1.212	15	111.8858	2.425	41	111.8976	2.000	348	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:2:	C-3:O-2:O-1:	C-4:C-3:	C[6a]-3:C-3:N-2:	C(CC[6a]N)(OC)(O)	O(CCHH)(CCO)	C(C[6a]C[6a]2)(COO)(NP)	C(CC[6a]N)(OC)(O)	O(CCHH)(CCO)	C(C[6a]C[6a]2)(COO)(NP)	108.6130	1.363	3	108.6130	1.859	3	111.8858	2.425	41	111.8976	2.000	348	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:2:	C-3:O-2:O-1:	C-4:C-3:	C[6a]-3:C-3:N-2:	C(CC[6a]N)(OC)(O)	O(CCHH)(CCO)	C(C[6a]C[6a]N[6a])(COO)(NN)	C(CC[6a]N)(OC)(O)	O(CCHH)(CCO)	C(C[6a]C[6a]N[6a])(COO)(NN)	112.9345	0.624	11	112.9345	0.390	11	111.8858	2.425	41	111.8976	2.000	348	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:2:	C-3:O-2:O-1:	C-4:C-3:	C[6a]-3:C-3:N-2:	C(CC[6a]N)(OC)(O)	O(CH3)(CCO)	C(C[6a]C[6a]2)(COO)(NN)	C(CC[6a]N)(OC)(O)	O(CH3)(CCO)	C(C[6a]C[6a]2)(COO)(NN)	111.3357	0.080	3	111.3357	0.006	3	111.8858	2.425	41	111.8976	2.000	348	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:2:	C-3:O-2:O-1:	C-4:C-3:	C[6a]-3:C-3:N-2:	C(CC[6a]N)(OC)(O)	O(CH3)(CCO)	C(C[6a]C[6a]2)(COO)(NO)	C(CC[6a]N)(OC)(O)	O(CH3)(CCO)	C(C[6a]C[6a]2)(COO)(NO)	111.8077	1.634	6	111.8077	2.669	6	111.8858	2.425	41	111.8976	2.000	348	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:2:	C-3:O-2:O-1:	C-4:C-3:	N[5a]-3:C-3:N-2:	C(CN[5a]N)(OC)(O)	O(CCHH)(CCO)	C(N[5a]C[5a,6a]C[5a])(COO)(NN)	C(CN[5a]N)(OC)(O)	O(CCHH)(CCO)	C(N[5a]C[5a,6a]C[5a])(COO)(NN)	112.2705	0.928	2	112.2705	0.862	2	112.2705	0.862	2	111.8976	2.000	348	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:H-1:	C-4:C-3:	C[6]-3:C-3:C-3:	C(CC[6]C)(OC)(H)	O(CH3)(CCH)	C(C[6]C[6]2)(CHO)(CNN)	C(CC[6]C)(OC)(H)	O(CH3)(CCH)	C(C[6]C[6]2)(CHO)(CNN)	121.8520	0.000	1	121.8520	0.000	1	121.8520	0.000	1	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:H-1:	C-4:C-3:	C[6a]-3:C-3:C-3:	C(CC[6a]C)(OC)(H)	O(CH3)(CCH)	C(C[6a]C[6a]2)(CHO)(CNN)	C(CC[6a]C)(OC)(H)	O(CH3)(CCH)	C(C[6a]C[6a]2)(CHO)(CNN)	122.6200	0.000	1	122.6200	0.000	1	122.2630	0.945	5	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:H-1:	C-4:C-3:	C[6a]-3:C-3:C-3:	C(CC[6a]C)(OC)(H)	O(CH3)(CCH)	C(C[6a]C[6a]2)(CHO)(COO)	C(CC[6a]C)(OC)(H)	O(CH3)(CCH)	C(C[6a]C[6a]2)(CHO)(COO)	122.1737	1.098	4	122.1737	1.206	4	122.2630	0.945	5	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:H-1:	C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C(CC[6a]2)(OC)(H)	O(CCHH)(CCH)	C(C[6a]C[6a]2)2(CHO)	C(CC[6a]2)(OC)(H)	O(CCHH)(CCH)	C(C[6a]C[6a]2)2(CHO)	123.7700	0.000	1	123.7700	0.000	1	123.7700	0.000	1	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:C-3:	C(CCC)(OC)(O)	O(CC3)(CCO)	C(CC[6a]H)(CCO)(COO)	C(CCC)(OC)(O)	O(CC3)(CCO)	C(CC[6a]H)(CCO)(COO)	109.4880	0.000	1	109.4880	0.000	1	112.0680	2.380	292	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:C-3:	C(CCC)(OC)(O)	O(CC3)(CCO)	C(CC[6a]H)(CC[6a]O)(COO)	C(CCC)(OC)(O)	O(CC3)(CCO)	C(CC[6a]H)(CC[6a]O)(COO)	109.9550	0.000	1	109.9550	0.000	1	112.0680	2.380	292	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:C-3:	C(CCC)(OC)(O)	O(CC3)(CCO)	C(CC[6a]N)(CCO)(COO)	C(CCC)(OC)(O)	O(CC3)(CCO)	C(CC[6a]N)(CCO)(COO)	111.4770	0.000	1	111.4770	0.000	1	112.0680	2.380	292	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:C-3:	C(CCC)(OC)(O)	O(CCCH)(CCO)	C(CC[6a]H)(CCO)(COO)	C(CCC)(OC)(O)	O(CCCH)(CCO)	C(CC[6a]H)(CCO)(COO)	110.3430	0.000	1	110.3430	0.000	1	112.0680	2.380	292	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:C-3:	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CCC)(CCH)(COO)	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CCC)(CCH)(COO)	112.6080	1.853	8	112.6080	3.435	8	112.0680	2.380	292	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:C-3:	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CCC)(CHN)(COO)	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CCC)(CHN)(COO)	111.0780	0.042	2	111.0780	0.002	2	112.0680	2.380	292	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:C-3:	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CCC)(CHO)(COO)	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CCC)(CHO)(COO)	110.8770	0.000	1	110.8770	0.000	1	112.0680	2.380	292	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:C-3:	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CCH)2(COO)	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CCH)2(COO)	112.7613	0.408	4	112.7613	0.166	4	112.0680	2.380	292	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:C-3:	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CCN)(CCS)(COO)	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CCN)(CCS)(COO)	113.2390	0.000	1	113.2390	0.000	1	112.0680	2.380	292	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:C-3:	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CCN)(CHN)(COO)	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CCN)(CHN)(COO)	112.9640	0.000	1	112.9640	0.000	1	112.0680	2.380	292	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:C-3:	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CCO)(CHN)(COO)	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CCO)(CHN)(COO)	112.5897	1.574	6	112.5897	2.478	6	112.0680	2.380	292	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:C-3:	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CCO)(CNO)(COO)	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CCO)(CNO)(COO)	114.5180	0.239	3	114.5180	0.057	3	112.0680	2.380	292	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:C-3:	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CCO)2(COO)	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CCO)2(COO)	113.9023	2.339	3	113.9023	5.470	3	112.0680	2.380	292	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:C-3:	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CCP)(CNS)(COO)	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CCP)(CNS)(COO)	110.7020	0.000	1	110.7020	0.000	1	112.0680	2.380	292	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:C-3:	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CCS)(COO)2	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CCS)(COO)2	110.8545	0.165	2	110.8545	0.027	2	112.0680	2.380	292	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:C-3:	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CC[3,5]H)(CCO)(COO)	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CC[3,5]H)(CCO)(COO)	113.3040	0.000	1	113.3040	0.000	1	112.0680	2.380	292	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:C-3:	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CC[5]2)(COO)2	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CC[5]2)(COO)2	113.0078	0.596	4	113.0078	0.355	4	112.0680	2.380	292	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:C-3:	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CC[5]C)(COO)2	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CC[5]C)(COO)2	111.3960	0.228	2	111.3960	0.052	2	112.0680	2.380	292	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:C-3:	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CC[5]H)(COO)2	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CC[5]H)(COO)2	110.6785	0.245	2	110.6785	0.060	2	112.0680	2.380	292	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:C-3:	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CC[5a]C)(CC[6a]O)(COO)	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CC[5a]C)(CC[6a]O)(COO)	110.1130	0.000	1	110.1130	0.000	1	112.0680	2.380	292	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:C-3:	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CC[5a]C[6])(COO)2	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CC[5a]C[6])(COO)2	109.9385	0.662	4	109.9385	0.439	4	112.0680	2.380	292	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:C-3:	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CC[5a]H)(CCO)(COO)	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CC[5a]H)(CCO)(COO)	110.8505	0.704	2	110.8505	0.495	2	112.0680	2.380	292	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:C-3:	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CC[5a]H)(COO)2	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CC[5a]H)(COO)2	111.6237	0.689	12	111.6237	0.475	12	112.0680	2.380	292	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:C-3:	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CC[6a]C)(CCC)(COO)	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CC[6a]C)(CCC)(COO)	112.3340	0.000	1	112.3340	0.000	1	112.0680	2.380	292	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:C-3:	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CC[6a]H)(CCH)(COO)	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CC[6a]H)(CCH)(COO)	112.5900	0.436	2	112.5900	0.190	2	112.0680	2.380	292	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:C-3:	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CC[6a]H)(CCO)(COO)	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CC[6a]H)(CCO)(COO)	111.4865	1.397	4	111.4865	1.953	4	112.0680	2.380	292	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:C-3:	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CC[6a]H)(CC[6]O)(COO)	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CC[6a]H)(CC[6]O)(COO)	109.7190	0.000	1	109.7190	0.000	1	112.0680	2.380	292	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:C-3:	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CC[6a]H)(CC[6a]O)(COO)	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CC[6a]H)(CC[6a]O)(COO)	113.0620	0.000	1	113.0620	0.000	1	112.0680	2.380	292	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:C-3:	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CC[6a]H)(CNN)(COO)	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CC[6a]H)(CNN)(COO)	111.6575	0.042	2	111.6575	0.002	2	112.0680	2.380	292	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:C-3:	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CC[6a]H)(CN[6]O)(COO)	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CC[6a]H)(CN[6]O)(COO)	113.8070	0.000	1	113.8070	0.000	1	112.0680	2.380	292	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:C-3:	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CC[6a]H)(COO)2	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CC[6a]H)(COO)2	111.5849	0.685	12	111.5849	0.469	12	112.0680	2.380	292	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:C-3:	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CC[6a]N)(CCO)(COO)	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CC[6a]N)(CCO)(COO)	111.6890	0.000	1	111.6890	0.000	1	112.0680	2.380	292	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:C-3:	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CC[6a]O)(CCC)(COO)	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CC[6a]O)(CCC)(COO)	111.3583	0.768	7	111.3583	0.590	7	112.0680	2.380	292	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:C-3:	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CC[6a]O)(CCH)(COO)	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CC[6a]O)(CCH)(COO)	112.3075	1.916	2	112.3075	3.669	2	112.0680	2.380	292	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:C-3:	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CC[6a]O)(CCN)(COO)	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CC[6a]O)(CCN)(COO)	113.0140	0.000	2	113.0140	0.000	2	112.0680	2.380	292	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:C-3:	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CC[6a]O)(CHN)(COO)	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CC[6a]O)(CHN)(COO)	112.7897	0.749	3	112.7897	0.562	3	112.0680	2.380	292	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:C-3:	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CC[6a]S)(CCC)(COO)	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CC[6a]S)(CCC)(COO)	112.6785	2.594	2	112.6785	6.731	2	112.0680	2.380	292	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:C-3:	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CC[6a]S)(CCN)(COO)	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CC[6a]S)(CCN)(COO)	113.4120	0.000	1	113.4120	0.000	1	112.0680	2.380	292	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:C-3:	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CHN)(CNO)(COO)	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CHN)(CNO)(COO)	113.3700	0.000	1	113.3700	0.000	1	112.0680	2.380	292	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:C-3:	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CHN)(COO)2	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CHN)(COO)2	114.3425	1.515	26	114.3425	2.296	26	112.0680	2.380	292	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:C-3:	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CHN)2(COO)	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CHN)2(COO)	112.7097	0.849	4	112.7097	0.722	4	112.0680	2.380	292	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:C-3:	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CN[5]C)(CCC)(COO)	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CN[5]C)(CCC)(COO)	110.8190	0.000	1	110.8190	0.000	1	112.0680	2.380	292	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:C-3:	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CN[6]C)(CCC)(COO)	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CN[6]C)(CCC)(COO)	111.1740	0.000	1	111.1740	0.000	1	112.0680	2.380	292	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:C-3:	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(COO)2(CSS)	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(COO)2(CSS)	111.9700	0.163	2	111.9700	0.026	2	112.0680	2.380	292	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:C-3:	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(COsC)(CCH)(COO)	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(COsC)(CCH)(COO)	112.3320	0.706	2	112.3320	0.498	2	112.0680	2.380	292	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:C-3:	C(CCC)(OC)(O)	O(CC[6a]HH)(CCO)	C(CCN)2(COO)	C(CCC)(OC)(O)	O(CC[6a]HH)(CCO)	C(CCN)2(COO)	113.0015	1.549	2	113.0015	2.400	2	112.0680	2.380	292	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:C-3:	C(CCC)(OC)(O)	O(CC[6a]HH)(CCO)	C(CC[5a]H)(COO)2	C(CCC)(OC)(O)	O(CC[6a]HH)(CCO)	C(CC[5a]H)(COO)2	112.0780	0.324	2	112.0780	0.105	2	112.0680	2.380	292	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:C-3:	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CBrC)(CCC)(COO)	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CBrC)(CCC)(COO)	111.6070	0.045	2	111.6070	0.002	2	112.0680	2.380	292	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:C-3:	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CCC)(CCH)(COO)	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CCC)(CCH)(COO)	110.2968	0.635	4	110.2968	0.403	4	112.0680	2.380	292	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:C-3:	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CCC)(CCO)(COO)	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CCC)(CCO)(COO)	113.1370	0.000	1	113.1370	0.000	1	112.0680	2.380	292	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:C-3:	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CCC)(CCS)(COO)	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CCC)(CCS)(COO)	109.1045	0.774	2	109.1045	0.600	2	112.0680	2.380	292	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:C-3:	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CCC)(COO)2	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CCC)(COO)2	111.0220	0.615	6	111.0220	0.378	6	112.0680	2.380	292	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:C-3:	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CCC)2(COO)	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CCC)2(COO)	111.3498	1.706	12	111.3498	2.909	12	112.0680	2.380	292	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:C-3:	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CCH)(CHS)(COO)	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CCH)(CHS)(COO)	112.9010	0.228	2	112.9010	0.052	2	112.0680	2.380	292	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:C-3:	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CCH)2(COO)	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CCH)2(COO)	113.2097	0.501	3	113.2097	0.251	3	112.0680	2.380	292	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:C-3:	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CCN)(CCO)(COO)	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CCN)(CCO)(COO)	112.4400	0.000	1	112.4400	0.000	1	112.0680	2.380	292	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:C-3:	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CCN)(COO)2	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CCN)(COO)2	112.7903	1.291	4	112.7903	1.667	4	112.0680	2.380	292	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:C-3:	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CCO)(CHN)(COO)	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CCO)(CHN)(COO)	112.5926	0.953	7	112.5926	0.909	7	112.0680	2.380	292	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:C-3:	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CCO)(CNO)(COO)	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CCO)(CNO)(COO)	114.0440	0.000	1	114.0440	0.000	1	112.0680	2.380	292	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:C-3:	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CCP)(COO)2	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CCP)(COO)2	110.5260	0.071	2	110.5260	0.005	2	112.0680	2.380	292	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:C-3:	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CC[5]C)(CCC)(COO)	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CC[5]C)(CCC)(COO)	109.8850	0.000	1	109.8850	0.000	1	112.0680	2.380	292	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:C-3:	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CC[5]H)(CCC)(COO)	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CC[5]H)(CCC)(COO)	112.0560	0.000	1	112.0560	0.000	1	112.0680	2.380	292	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:C-3:	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CC[5a]H)(CCC)(COO)	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CC[5a]H)(CCC)(COO)	111.6570	0.041	2	111.6570	0.002	2	112.0680	2.380	292	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:C-3:	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CC[5a]H)(COO)2	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CC[5a]H)(COO)2	111.8127	1.237	4	111.8127	1.531	4	112.0680	2.380	292	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:C-3:	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CC[5a]O)(CN[6]C)(COO)	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CC[5a]O)(CN[6]C)(COO)	110.4905	0.084	2	110.4905	0.007	2	112.0680	2.380	292	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:C-3:	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CC[6]N)(CCH)(COO)	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CC[6]N)(CCH)(COO)	111.3900	0.000	1	111.3900	0.000	1	112.0680	2.380	292	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:C-3:	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CC[6a]2)(CCC)(COO)	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CC[6a]2)(CCC)(COO)	112.9530	0.000	1	112.9530	0.000	1	112.0680	2.380	292	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:C-3:	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CC[6a]C)(CCC)(COO)	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CC[6a]C)(CCC)(COO)	110.9960	1.899	2	110.9960	3.607	2	112.0680	2.380	292	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:C-3:	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CC[6a]C)(CCH)(COO)	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CC[6a]C)(CCH)(COO)	111.9050	0.000	1	111.9050	0.000	1	112.0680	2.380	292	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:C-3:	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CC[6a]C)(CCN)(COO)	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CC[6a]C)(CCN)(COO)	112.4560	0.000	1	112.4560	0.000	1	112.0680	2.380	292	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:C-3:	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CC[6a]C)(CHN)(COO)	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CC[6a]C)(CHN)(COO)	114.0660	0.000	1	114.0660	0.000	1	112.0680	2.380	292	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:C-3:	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CC[6a]C)(CIrC)(COO)	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CC[6a]C)(CIrC)(COO)	111.3130	1.121	3	111.3130	1.256	3	112.0680	2.380	292	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:C-3:	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CC[6a]H)(CC[5]C)(COO)	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CC[6a]H)(CC[5]C)(COO)	112.1910	0.000	1	112.1910	0.000	1	112.0680	2.380	292	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:C-3:	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CC[6a]H)(COO)2	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CC[6a]H)(COO)2	111.5069	0.454	8	111.5069	0.206	8	112.0680	2.380	292	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:C-3:	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CC[6a]O)(CCC)(COO)	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CC[6a]O)(CCC)(COO)	109.0945	0.233	2	109.0945	0.054	2	112.0680	2.380	292	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:C-3:	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CC[6a]O)(CCP)(COO)	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CC[6a]O)(CCP)(COO)	109.9440	0.000	1	109.9440	0.000	1	112.0680	2.380	292	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:C-3:	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CC[6a]O)(CCS)(COO)	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CC[6a]O)(CCS)(COO)	109.8420	0.000	1	109.8420	0.000	1	112.0680	2.380	292	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:C-3:	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CC[6a]O)(CIrC)(COO)	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CC[6a]O)(CIrC)(COO)	112.0180	0.000	1	112.0180	0.000	1	112.0680	2.380	292	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:C-3:	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CC[6a]O)(CN[6]C)(COO)	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CC[6a]O)(CN[6]C)(COO)	110.5436	0.972	7	110.5436	0.946	7	112.0680	2.380	292	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:C-3:	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CC[6a]Re)(CCO)(COO)	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CC[6a]Re)(CCO)(COO)	111.8540	0.206	2	111.8540	0.043	2	112.0680	2.380	292	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:C-3:	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CClC)(CCH)(COO)	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CClC)(CCH)(COO)	112.5310	0.000	1	112.5310	0.000	1	112.0680	2.380	292	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:C-3:	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CCoC)(CCC)(COO)	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CCoC)(CCC)(COO)	110.2470	0.000	1	110.2470	0.000	1	112.0680	2.380	292	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:C-3:	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CCoH)(CCH)(COO)	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CCoH)(CCH)(COO)	113.5160	0.103	2	113.5160	0.011	2	112.0680	2.380	292	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:C-3:	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CCrC)(CCN)(COO)	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CCrC)(CCN)(COO)	111.8400	0.000	1	111.8400	0.000	1	112.0680	2.380	292	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:C-3:	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CFeO)(CCN)(COO)	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CFeO)(CCN)(COO)	110.7720	0.000	1	110.7720	0.000	1	112.0680	2.380	292	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:C-3:	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CFeRu)(COO)2	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CFeRu)(COO)2	112.0140	0.047	2	112.0140	0.002	2	112.0680	2.380	292	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:C-3:	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CHN)(CNO)(COO)	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CHN)(CNO)(COO)	112.8040	0.000	1	112.8040	0.000	1	112.0680	2.380	292	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:C-3:	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CHN)(COO)2	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CHN)(COO)2	113.6415	2.500	4	113.6415	6.252	4	112.0680	2.380	292	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:C-3:	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CHN)2(COO)	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CHN)2(COO)	113.1990	0.184	2	113.1990	0.034	2	112.0680	2.380	292	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:C-3:	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CIrC)(CCC)(COO)	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CIrC)(CCC)(COO)	111.8144	1.229	17	111.8144	1.510	17	112.0680	2.380	292	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:C-3:	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CIrC)(CCN)(COO)	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CIrC)(CCN)(COO)	112.4370	0.000	1	112.4370	0.000	1	112.0680	2.380	292	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:C-3:	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CIrO)(CCP)(COO)	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CIrO)(CCP)(COO)	112.0710	0.000	1	112.0710	0.000	1	112.0680	2.380	292	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:C-3:	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CN[5]C)(COO)2	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CN[5]C)(COO)2	110.7080	0.871	2	110.7080	0.759	2	112.0680	2.380	292	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:C-3:	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CN[6]C)(CCC)(COO)	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CN[6]C)(CCC)(COO)	109.0600	0.000	1	109.0600	0.000	1	112.0680	2.380	292	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:C-3:	C(CCC)(OC)(O)	O(CH3)(CCO)	C(COsC)(CCH)(COO)	C(CCC)(OC)(O)	O(CH3)(CCO)	C(COsC)(CCH)(COO)	112.1517	1.149	3	112.1517	1.320	3	112.0680	2.380	292	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:C-3:	C(CCC)(OC)(O)	O(CH3)(CCO)	C(COsH)(CCH)(COO)	C(CCC)(OC)(O)	O(CH3)(CCO)	C(COsH)(CCH)(COO)	112.3383	0.918	3	112.3383	0.843	3	112.0680	2.380	292	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:C-3:	C(CCC)(OC)(O)	O(CH3)(CCO)	C(COsN)(CCH)(COO)	C(CCC)(OC)(O)	O(CH3)(CCO)	C(COsN)(CCH)(COO)	111.5850	0.000	1	111.5850	0.000	1	112.0680	2.380	292	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:C-3:	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CPdC)(CCC)(COO)	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CPdC)(CCC)(COO)	111.8282	0.786	5	111.8282	0.618	5	112.0680	2.380	292	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:C-3:	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CPdC)(CCO)(COO)	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CPdC)(CCO)(COO)	111.6840	0.000	1	111.6840	0.000	1	112.0680	2.380	292	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:C-3:	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CPtC)(CCC)(COO)	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CPtC)(CCC)(COO)	113.3350	0.652	2	113.3350	0.425	2	112.0680	2.380	292	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:C-3:	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CRu2)(COO)2	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CRu2)(COO)2	111.6255	0.243	2	111.6255	0.059	2	112.0680	2.380	292	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:C-3:	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CRuC)(CCH)(COO)	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CRuC)(CCH)(COO)	112.3220	0.000	1	112.3220	0.000	1	112.0680	2.380	292	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:N-3:	C(CCN)(OC)(O)	O(CCCH)(CCO)	C(CHH)(COO)(NCH)	C(CCN)(OC)(O)	O(CCCH)(CCO)	C(CHH)(COO)(NCH)	112.8370	0.000	1	112.8370	0.000	1	112.2210	0.934	34	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:N-3:	C(CCN)(OC)(O)	O(CCHH)(CCO)	C(CCH)(COO)(NCH)	C(CCN)(OC)(O)	O(CCHH)(CCO)	C(CCH)(COO)(NCH)	113.3060	0.000	1	113.3060	0.000	1	112.2210	0.934	34	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:N-3:	C(CCN)(OC)(O)	O(CCHH)(CCO)	C(CCH)(COO)(NCO)	C(CCN)(OC)(O)	O(CCHH)(CCO)	C(CCH)(COO)(NCO)	111.2730	0.000	1	111.2730	0.000	1	112.2210	0.934	34	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:N-3:	C(CCN)(OC)(O)	O(CCHH)(CCO)	C(CCN)(COO)(NCS)	C(CCN)(OC)(O)	O(CCHH)(CCO)	C(CCN)(COO)(NCS)	113.3030	0.000	1	113.3030	0.000	1	112.2210	0.934	34	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:N-3:	C(CCN)(OC)(O)	O(CCHH)(CCO)	C(CC[6a]Br)(COO)(NCH)	C(CCN)(OC)(O)	O(CCHH)(CCO)	C(CC[6a]Br)(COO)(NCH)	110.3570	0.000	1	110.3570	0.000	1	112.2210	0.934	34	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:N-3:	C(CCN)(OC)(O)	O(CCHH)(CCO)	C(CC[6a]O)(COO)(NCH)	C(CCN)(OC)(O)	O(CCHH)(CCO)	C(CC[6a]O)(COO)(NCH)	113.6450	0.000	1	113.6450	0.000	1	112.2210	0.934	34	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:N-3:	C(CCN)(OC)(O)	O(CCHH)(CCO)	C(CHH)(COO)(NHS)	C(CCN)(OC)(O)	O(CCHH)(CCO)	C(CHH)(COO)(NHS)	113.0700	0.000	1	113.0700	0.000	1	112.2210	0.934	34	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:N-3:	C(CCN)(OC)(O)	O(CCHH)(CCO)	C(CN[6]C)(COO)(NOO)	C(CCN)(OC)(O)	O(CCHH)(CCO)	C(CN[6]C)(COO)(NOO)	111.5480	0.000	1	111.5480	0.000	1	112.2210	0.934	34	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:N-3:	C(CCN)(OC)(O)	O(CC[6a]HH)(CCO)	C(CHH)(COO)(NCC)	C(CCN)(OC)(O)	O(CC[6a]HH)(CCO)	C(CHH)(COO)(NCC)	111.8630	0.000	1	111.8630	0.000	1	112.2210	0.934	34	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:N-3:	C(CCN)(OC)(O)	O(CH3)(CCO)	C(CBrH)(COO)(NCH)	C(CCN)(OC)(O)	O(CH3)(CCO)	C(CBrH)(COO)(NCH)	111.6310	0.000	1	111.6310	0.000	1	112.2210	0.934	34	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:N-3:	C(CCN)(OC)(O)	O(CH3)(CCO)	C(CCC)(COO)(NCC)	C(CCN)(OC)(O)	O(CH3)(CCO)	C(CCC)(COO)(NCC)	111.4515	0.354	2	111.4515	0.126	2	112.2210	0.934	34	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:N-3:	C(CCN)(OC)(O)	O(CH3)(CCO)	C(CCC)(COO)(NCH)	C(CCN)(OC)(O)	O(CH3)(CCO)	C(CCC)(COO)(NCH)	113.6675	1.078	2	113.6675	1.163	2	112.2210	0.934	34	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:N-3:	C(CCN)(OC)(O)	O(CH3)(CCO)	C(CCH)(COO)(NCH)	C(CCN)(OC)(O)	O(CH3)(CCO)	C(CCH)(COO)(NCH)	112.3995	1.173	2	112.3995	1.376	2	112.2210	0.934	34	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:N-3:	C(CCN)(OC)(O)	O(CH3)(CCO)	C(CCH)(COO)(NCN)	C(CCN)(OC)(O)	O(CH3)(CCO)	C(CCH)(COO)(NCN)	111.6990	0.011	2	111.6990	0.000	2	112.2210	0.934	34	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:N-3:	C(CCN)(OC)(O)	O(CH3)(CCO)	C(CCH)(COO)(NCS)	C(CCN)(OC)(O)	O(CH3)(CCO)	C(CCH)(COO)(NCS)	112.0020	0.000	1	112.0020	0.000	1	112.2210	0.934	34	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:N-3:	C(CCN)(OC)(O)	O(CH3)(CCO)	C(CCH)(COO)(NHS)	C(CCN)(OC)(O)	O(CH3)(CCO)	C(CCH)(COO)(NHS)	112.2005	1.674	2	112.2005	2.801	2	112.2210	0.934	34	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:N-3:	C(CCN)(OC)(O)	O(CH3)(CCO)	C(CCO)(COO)(NNO)	C(CCN)(OC)(O)	O(CH3)(CCO)	C(CCO)(COO)(NNO)	112.0890	0.000	1	112.0890	0.000	1	112.2210	0.934	34	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:N-3:	C(CCN)(OC)(O)	O(CH3)(CCO)	C(CCS)(COO)(NCN)	C(CCN)(OC)(O)	O(CH3)(CCO)	C(CCS)(COO)(NCN)	111.7055	0.049	2	111.7055	0.002	2	112.2210	0.934	34	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:N-3:	C(CCN)(OC)(O)	O(CH3)(CCO)	C(CCS)(COO)(NCS)	C(CCN)(OC)(O)	O(CH3)(CCO)	C(CCS)(COO)(NCS)	112.1380	0.419	2	112.1380	0.175	2	112.2210	0.934	34	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:N-3:	C(CCN)(OC)(O)	O(CH3)(CCO)	C(CC[5]H)(COO)(NCH)	C(CCN)(OC)(O)	O(CH3)(CCO)	C(CC[5]H)(COO)(NCH)	111.0970	0.000	1	111.0970	0.000	1	112.2210	0.934	34	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:N-3:	C(CCN)(OC)(O)	O(CH3)(CCO)	C(CC[5a]H)(COO)(NCH)	C(CCN)(OC)(O)	O(CH3)(CCO)	C(CC[5a]H)(COO)(NCH)	112.8280	0.307	2	112.8280	0.094	2	112.2210	0.934	34	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:N-3:	C(CCN)(OC)(O)	O(CH3)(CCO)	C(CC[6a]C)(COO)(NCH)	C(CCN)(OC)(O)	O(CH3)(CCO)	C(CC[6a]C)(COO)(NCH)	112.3697	1.229	3	112.3697	1.511	3	112.2210	0.934	34	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:N-3:	C(CCN)(OC)(O)	O(CH3)(CCO)	C(CC[6a]H)(COO)(NCH)	C(CCN)(OC)(O)	O(CH3)(CCO)	C(CC[6a]H)(COO)(NCH)	110.9600	0.000	1	110.9600	0.000	1	112.2210	0.934	34	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:N-3:	C(CCN)(OC)(O)	O(CH3)(CCO)	C(CC[6a]H)(COO)(NCO)	C(CCN)(OC)(O)	O(CH3)(CCO)	C(CC[6a]H)(COO)(NCO)	113.2450	0.000	1	113.2450	0.000	1	112.2210	0.934	34	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-3:S-3:	C(CCS)(OC)(O)	O(CH3)(CCO)	C(COO)2(SCC)	C(CCS)(OC)(O)	O(CH3)(CCO)	C(COO)2(SCC)	113.7400	1.530	2	113.7400	2.341	2	113.7400	2.341	2	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:N-3:C-3:	C(CCN)(OC)(O)	O(CCHH)(CCO)	C(CC[5a]N)(NC[6a]O)(COO)	C(CCN)(OC)(O)	O(CCHH)(CCO)	C(CC[5a]N)(NC[6a]O)(COO)	108.6640	0.000	1	108.6640	0.000	1	110.4227	2.837	3	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:N-3:C-3:	C(CCN)(OC)(O)	O(CH3)(CCO)	C(CC[6a]H)(NC[6a]H)(COO)	C(CCN)(OC)(O)	O(CH3)(CCO)	C(CC[6a]H)(NC[6a]H)(COO)	111.3020	1.017	2	111.3020	1.034	2	110.4227	2.837	3	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[5]-3:C-3:C-3:	C(CC[5]C)(OC)(O)	O(CCCH)(CCO)	C(C[5]S[5]2)(COO)2	C(CC[5]C)(OC)(O)	O(CCCH)(CCO)	C(C[5]S[5]2)(COO)2	112.1675	0.629	2	112.1675	0.395	2	111.4211	1.653	31	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[5]-3:C-3:C-3:	C(CC[5]C)(OC)(O)	O(CCHH)(CCO)	C(C[5]C[5,6a]C[5])(CCO)(COO)	C(CC[5]C)(OC)(O)	O(CCHH)(CCO)	C(C[5]C[5,6a]C[5])(CCO)(COO)	110.4500	1.314	2	110.4500	1.726	2	111.4211	1.653	31	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[5]-3:C-3:C-3:	C(CC[5]C)(OC)(O)	O(CCHH)(CCO)	C(C[5]C[5,6a]C[5])(COO)2	C(CC[5]C)(OC)(O)	O(CCHH)(CCO)	C(C[5]C[5,6a]C[5])(COO)2	111.1795	0.573	2	111.1795	0.329	2	111.4211	1.653	31	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[5]-3:C-3:C-3:	C(CC[5]C)(OC)(O)	O(CCHH)(CCO)	C(C[5]C[5,6a]O[5])(COO)2	C(CC[5]C)(OC)(O)	O(CCHH)(CCO)	C(C[5]C[5,6a]O[5])(COO)2	109.2035	0.493	2	109.2035	0.243	2	111.4211	1.653	31	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[5]-3:C-3:C-3:	C(CC[5]C)(OC)(O)	O(CCHH)(CCO)	C(C[5]C[5]2)(CCC)(COO)	C(CC[5]C)(OC)(O)	O(CCHH)(CCO)	C(C[5]C[5]2)(CCC)(COO)	110.8740	0.000	1	110.8740	0.000	1	111.4211	1.653	31	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[5]-3:C-3:C-3:	C(CC[5]C)(OC)(O)	O(CCHH)(CCO)	C(C[5]C[5]2)(CNO)(COO)	C(CC[5]C)(OC)(O)	O(CCHH)(CCO)	C(C[5]C[5]2)(CNO)(COO)	112.4990	0.779	2	112.4990	0.607	2	111.4211	1.653	31	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[5]-3:C-3:C-3:	C(CC[5]C)(OC)(O)	O(CCHH)(CCO)	C(C[5]C[5]2)(COO)2	C(CC[5]C)(OC)(O)	O(CCHH)(CCO)	C(C[5]C[5]2)(COO)2	112.3090	2.646	2	112.3090	7.001	2	111.4211	1.653	31	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[5]-3:C-3:C-3:	C(CC[5]C)(OC)(O)	O(CCHH)(CCO)	C(C[5]C[5]N[5])(CC[6a]O)(COO)	C(CC[5]C)(OC)(O)	O(CCHH)(CCO)	C(C[5]C[5]N[5])(CC[6a]O)(COO)	109.5290	0.000	1	109.5290	0.000	1	111.4211	1.653	31	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[5]-3:C-3:C-3:	C(CC[5]C)(OC)(O)	O(CCHH)(CCO)	C(C[5]C[5]N[5])(COO)2	C(CC[5]C)(OC)(O)	O(CCHH)(CCO)	C(C[5]C[5]N[5])(COO)2	110.5940	1.103	2	110.5940	1.217	2	111.4211	1.653	31	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[5]-3:C-3:C-3:	C(CC[5]C)(OC)(O)	O(CC[6a]HH)(CCO)	C(C[5]C[5]O[5])(CCO)(COO)	C(CC[5]C)(OC)(O)	O(CC[6a]HH)(CCO)	C(C[5]C[5]O[5])(CCO)(COO)	110.5290	0.000	1	110.5290	0.000	1	111.4211	1.653	31	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[5]-3:C-3:C-3:	C(CC[5]C)(OC)(O)	O(CH3)(CCO)	C(C[5]C[5,6a]C[5])(CC[5]H)(COO)	C(CC[5]C)(OC)(O)	O(CH3)(CCO)	C(C[5]C[5,6a]C[5])(CC[5]H)(COO)	111.3775	1.066	4	111.3775	1.137	4	111.4211	1.653	31	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[5]-3:C-3:C-3:	C(CC[5]C)(OC)(O)	O(CH3)(CCO)	C(C[5]C[5]2)(CCC)(COO)	C(CC[5]C)(OC)(O)	O(CH3)(CCO)	C(C[5]C[5]2)(CCC)(COO)	111.9770	0.000	1	111.9770	0.000	1	111.4211	1.653	31	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[5]-3:C-3:C-3:	C(CC[5]C)(OC)(O)	O(CH3)(CCO)	C(C[5]C[5]2)(CCH)(COO)	C(CC[5]C)(OC)(O)	O(CH3)(CCO)	C(C[5]C[5]2)(CCH)(COO)	111.8015	0.848	2	111.8015	0.719	2	111.4211	1.653	31	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[5]-3:C-3:C-3:	C(CC[5]C)(OC)(O)	O(CH3)(CCO)	C(C[5]C[5]N[5])(CCC)(COO)	C(CC[5]C)(OC)(O)	O(CH3)(CCO)	C(C[5]C[5]N[5])(CCC)(COO)	111.7450	0.000	1	111.7450	0.000	1	111.4211	1.653	31	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[5]-3:C-3:C-3:	C(CC[5]C)(OC)(O)	O(CH3)(CCO)	C(C[5]N[5]2)(CCC)(COO)	C(CC[5]C)(OC)(O)	O(CH3)(CCO)	C(C[5]N[5]2)(CCC)(COO)	111.4110	0.000	1	111.4110	0.000	1	111.4211	1.653	31	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[5]-3:C-3:C-3:	C(CC[5]C)(OC)(O)	O(CH3)(CCO)	C(C[5]N[5]2)(CCS)(COO)	C(CC[5]C)(OC)(O)	O(CH3)(CCO)	C(C[5]N[5]2)(CCS)(COO)	111.4550	0.000	1	111.4550	0.000	1	111.4211	1.653	31	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[5]-3:C-3:C-3:	C(CC[5]C)(OC)(O)	O(CH3)(CCO)	C(C[5]N[5]S[5])(CC[5]C)(COO)	C(CC[5]C)(OC)(O)	O(CH3)(CCO)	C(C[5]N[5]S[5])(CC[5]C)(COO)	113.3270	0.611	2	113.3270	0.373	2	111.4211	1.653	31	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[5]-3:C-3:C-3:	C(CC[5]C)(OC)(O)	O(CH3)(CCO)	C(C[5]N[5]S[5])(COO)2	C(CC[5]C)(OC)(O)	O(CH3)(CCO)	C(C[5]N[5]S[5])(COO)2	111.9805	1.439	2	111.9805	2.071	2	111.4211	1.653	31	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[5]-3:C-3:N-3:	C(CC[5]N)(OC)(O)	O(CCHH)(CCO)	C(C[5]C[5,6a]C[5])(COO)(NCH)	C(CC[5]N)(OC)(O)	O(CCHH)(CCO)	C(C[5]C[5,6a]C[5])(COO)(NCH)	110.2420	0.000	1	110.2420	0.000	1	111.3388	0.781	4	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[5]-3:C-3:N-3:	C(CC[5]N)(OC)(O)	O(CCHH)(CCO)	C(C[5]C[5,6a]C[5])(COO)(NOO)	C(CC[5]N)(OC)(O)	O(CCHH)(CCO)	C(C[5]C[5,6a]C[5])(COO)(NOO)	111.0030	0.000	1	111.0030	0.000	1	111.3388	0.781	4	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[5]-3:C-3:N-3:	C(CC[5]N)(OC)(O)	O(CCHH)(CCO)	C(C[5]C[5]2)(COO)(NHS)	C(CC[5]N)(OC)(O)	O(CCHH)(CCO)	C(C[5]C[5]2)(COO)(NHS)	112.0550	0.000	2	112.0550	0.000	2	111.3388	0.781	4	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[5]-3:C[6a]-3:C-3:	C(CC[6a]C[5])(OC)(O)	O(CCHH)(CCO)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(COO)	C(CC[6a]C[5])(OC)(O)	O(CCHH)(CCO)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(COO)	109.5060	0.000	1	109.5060	0.000	1	110.4120	0.762	4	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[5]-3:C[6a]-3:C-3:	C(CC[6a]C[5])(OC)(O)	O(CH3)(CCO)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(COO)	C(CC[6a]C[5])(OC)(O)	O(CH3)(CCO)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(COO)	110.7140	0.772	3	110.7140	0.596	3	110.4120	0.762	4	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[5]-3:N-3:C-3:	C(CC[5]N)(OC)(O)	O(CH3)(CCO)	C(C[5]C[5]N[5])(NNiO)(COO)	C(CC[5]N)(OC)(O)	O(CH3)(CCO)	C(C[5]C[5]N[5])(NNiO)(COO)	112.1740	0.000	1	112.1740	0.000	1	112.1740	0.000	1	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[5]-3:N[6]-3:C-3:	C(CC[5]N[6])(OC)(O)	O(CCHH)(CCO)	C(C[5]C[5]S[5])(N[6]C[6]2)(COO)	C(CC[5]N[6])(OC)(O)	O(CCHH)(CCO)	C(C[5]C[5]S[5])(N[6]C[6]2)(COO)	114.8660	0.000	1	114.8660	0.000	1	114.8660	0.000	1	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[5a]-3:C-3:C-3:	C(CC[5a]C)(OC)(O)	O(CC3)(CCO)	C(C[5a]C[5a,6a]C[5a])(CCO)(COO)	C(CC[5a]C)(OC)(O)	O(CC3)(CCO)	C(C[5a]C[5a,6a]C[5a])(CCO)(COO)	112.7250	0.000	1	112.7250	0.000	1	112.2919	1.713	15	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[5a]-3:C-3:C-3:	C(CC[5a]C)(OC)(O)	O(CC3)(CCO)	C(C[5a]C[5a]O[5a])(CCO)(COO)	C(CC[5a]C)(OC)(O)	O(CC3)(CCO)	C(C[5a]C[5a]O[5a])(CCO)(COO)	113.5890	0.000	1	113.5890	0.000	1	112.2919	1.713	15	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[5a]-3:C-3:C-3:	C(CC[5a]C)(OC)(O)	O(CCHH)(CCO)	C(C[5a]C[5a]N[5a])(CHN)(COO)	C(CC[5a]C)(OC)(O)	O(CCHH)(CCO)	C(C[5a]C[5a]N[5a])(CHN)(COO)	114.0415	0.654	2	114.0415	0.428	2	112.2919	1.713	15	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[5a]-3:C-3:C-3:	C(CC[5a]C)(OC)(O)	O(CCHH)(CCO)	C(C[5a]C[5a]N[5a])(CN[5]H)(COO)	C(CC[5a]C)(OC)(O)	O(CCHH)(CCO)	C(C[5a]C[5a]N[5a])(CN[5]H)(COO)	112.0715	0.136	2	112.0715	0.019	2	112.2919	1.713	15	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[5a]-3:C-3:C-3:	C(CC[5a]C)(OC)(O)	O(CCHH)(CCO)	C(C[5a]C[5a]S[5a])(CCH)(COO)	C(CC[5a]C)(OC)(O)	O(CCHH)(CCO)	C(C[5a]C[5a]S[5a])(CCH)(COO)	113.4780	0.000	1	113.4780	0.000	1	112.2919	1.713	15	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[5a]-3:C-3:C-3:	C(CC[5a]C)(OC)(O)	O(CH3)(CCO)	C(C[5a]C[5a,5a]N[5a])(CCH)(COO)	C(CC[5a]C)(OC)(O)	O(CH3)(CCO)	C(C[5a]C[5a,5a]N[5a])(CCH)(COO)	109.6830	0.000	1	109.6830	0.000	1	112.2919	1.713	15	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[5a]-3:C-3:C-3:	C(CC[5a]C)(OC)(O)	O(CH3)(CCO)	C(C[5a]C[5a,6a]S[5a])(CCH)(COO)	C(CC[5a]C)(OC)(O)	O(CH3)(CCO)	C(C[5a]C[5a,6a]S[5a])(CCH)(COO)	113.3490	0.000	1	113.3490	0.000	1	112.2919	1.713	15	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[5a]-3:C-3:C-3:	C(CC[5a]C)(OC)(O)	O(CH3)(CCO)	C(C[5a]C[5a]N[5a])(CC[5a]H)(COO)	C(CC[5a]C)(OC)(O)	O(CH3)(CCO)	C(C[5a]C[5a]N[5a])(CC[5a]H)(COO)	112.3650	0.000	1	112.3650	0.000	1	112.2919	1.713	15	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[5a]-3:C-3:C-3:	C(CC[5a]C)(OC)(O)	O(CH3)(CCO)	C(C[5a]C[5a]N[5a])(CC[6a]H)(COO)	C(CC[5a]C)(OC)(O)	O(CH3)(CCO)	C(C[5a]C[5a]N[5a])(CC[6a]H)(COO)	111.1230	0.798	3	111.1230	0.636	3	112.2919	1.713	15	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[5a]-3:C-3:C-3:	C(CC[5a]C)(OC)(O)	O(CH3)(CCO)	C(C[5a]C[5a]S[5a])(CCH)(COO)	C(CC[5a]C)(OC)(O)	O(CH3)(CCO)	C(C[5a]C[5a]S[5a])(CCH)(COO)	111.4430	0.000	1	111.4430	0.000	1	112.2919	1.713	15	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[5a]-3:C-3:C-3:	C(CC[5a]C)(OC)(O)	O(CH3)(CCO)	C(C[5a]N[5a]2)(CHN)(COO)	C(CC[5a]C)(OC)(O)	O(CH3)(CCO)	C(C[5a]N[5a]2)(CHN)(COO)	112.1510	0.000	1	112.1510	0.000	1	112.2919	1.713	15	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[5a]-3:C[6a]-3:C-3:	C(CC[5a]C[6a])(OC)(O)	O(CH3)(CCO)	C(C[5a]C[5a,6a]O[5a])(C[6a]C[6a]2)(COO)	C(CC[5a]C[6a])(OC)(O)	O(CH3)(CCO)	C(C[5a]C[5a,6a]O[5a])(C[6a]C[6a]2)(COO)	111.6970	0.000	1	111.6970	0.000	1	111.6970	0.000	1	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[6,6]-3:C-3:C-3:	C(CC[6,6]C)(OC)(O)	O(CH3)(CCO)	C(C[6,6]C[3x6]2)(CC[6,6]C)(COO)	C(CC[6,6]C)(OC)(O)	O(CH3)(CCO)	C(C[6,6]C[3x6]2)(CC[6,6]C)(COO)	112.8800	1.494	4	112.8800	2.232	4	112.8800	2.232	4	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[6]-3:C-3:C-3:	C(CC[6]C)(OC)(O)	O(CCHH)(CCO)	C(C[6]C[6]N[6])(CC[6a]C)(COO)	C(CC[6]C)(OC)(O)	O(CCHH)(CCO)	C(C[6]C[6]N[6])(CC[6a]C)(COO)	113.3780	0.000	1	113.3780	0.000	1	111.6117	2.369	3	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[6]-3:C-3:C-3:	C(CC[6]C)(OC)(O)	O(CH3)(CCO)	C(C[6]N[6]2)(CC[6a]C)(COO)	C(CC[6]C)(OC)(O)	O(CH3)(CCO)	C(C[6]N[6]2)(CC[6a]C)(COO)	110.5580	0.000	1	110.5580	0.000	1	111.6117	2.369	3	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[6]-3:C-3:C-3:	C(CC[6]C)(OC)(O)	O(CH3)(CCO)	C(C[6]S[6]2)(CCH)(COO)	C(CC[6]C)(OC)(O)	O(CH3)(CCO)	C(C[6]S[6]2)(CCH)(COO)	110.8990	0.000	1	110.8990	0.000	1	111.6117	2.369	3	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[6]-3:C[5a]-3:C-3:	C(CC[5a]C[6])(OC)(O)	O(CCHH)(CCO)	C(C[6]C[6]N[6])(C[5a]C[5a]2)(COO)	C(CC[5a]C[6])(OC)(O)	O(CCHH)(CCO)	C(C[6]C[6]N[6])(C[5a]C[5a]2)(COO)	113.4620	0.000	1	113.4620	0.000	1	113.4620	0.000	1	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[6]-3:P-3:C-3:	C(CC[6]P)(OC)(O)	O(CH3)(CCO)	C(C[6]C[6]2)(PC[6a]2)(COO)	C(CC[6]P)(OC)(O)	O(CH3)(CCO)	C(C[6]C[6]2)(PC[6a]2)(COO)	111.7400	0.000	1	111.7400	0.000	1	111.7400	0.000	1	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[6a]-3:C-3:C-3:	C(CC[6a]C)(OC)(O)	O(CC3)(CCO)	C(C[6a]C[6a]2)(CHO)(COO)	C(CC[6a]C)(OC)(O)	O(CC3)(CCO)	C(C[6a]C[6a]2)(CHO)(COO)	113.3580	0.000	1	113.3580	0.000	1	111.6807	2.481	127	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[6a]-3:C-3:C-3:	C(CC[6a]C)(OC)(O)	O(CCCH)(CCO)	C(C[6a]C[6a]2)(COO)2	C(CC[6a]C)(OC)(O)	O(CCCH)(CCO)	C(C[6a]C[6a]2)(COO)2	110.4530	1.072	4	110.4530	1.149	4	111.6807	2.481	127	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[6a]-3:C-3:C-3:	C(CC[6a]C)(OC)(O)	O(CCHH)(CCO)	C(C[6a]C[6a,6a]C[6a])(CC[6a]C)(COO)	C(CC[6a]C)(OC)(O)	O(CCHH)(CCO)	C(C[6a]C[6a,6a]C[6a])(CC[6a]C)(COO)	109.3420	0.000	1	109.3420	0.000	1	111.6807	2.481	127	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[6a]-3:C-3:C-3:	C(CC[6a]C)(OC)(O)	O(CCHH)(CCO)	C(C[6a]C[6a]2)(CCC)(COO)	C(CC[6a]C)(OC)(O)	O(CCHH)(CCO)	C(C[6a]C[6a]2)(CCC)(COO)	112.6210	0.000	1	112.6210	0.000	1	111.6807	2.481	127	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[6a]-3:C-3:C-3:	C(CC[6a]C)(OC)(O)	O(CCHH)(CCO)	C(C[6a]C[6a]2)(CC[3,5]H)(COO)	C(CC[6a]C)(OC)(O)	O(CCHH)(CCO)	C(C[6a]C[6a]2)(CC[3,5]H)(COO)	113.6740	0.000	1	113.6740	0.000	1	111.6807	2.481	127	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[6a]-3:C-3:C-3:	C(CC[6a]C)(OC)(O)	O(CCHH)(CCO)	C(C[6a]C[6a]2)(CC[5a]N)(COO)	C(CC[6a]C)(OC)(O)	O(CCHH)(CCO)	C(C[6a]C[6a]2)(CC[5a]N)(COO)	112.0620	0.000	1	112.0620	0.000	1	111.6807	2.481	127	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[6a]-3:C-3:C-3:	C(CC[6a]C)(OC)(O)	O(CCHH)(CCO)	C(C[6a]C[6a]2)(CC[6a]C)(COO)	C(CC[6a]C)(OC)(O)	O(CCHH)(CCO)	C(C[6a]C[6a]2)(CC[6a]C)(COO)	111.4017	1.221	9	111.4017	1.490	9	111.6807	2.481	127	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[6a]-3:C-3:C-3:	C(CC[6a]C)(OC)(O)	O(CCHH)(CCO)	C(C[6a]C[6a]2)(CC[6a]H)(COO)	C(CC[6a]C)(OC)(O)	O(CCHH)(CCO)	C(C[6a]C[6a]2)(CC[6a]H)(COO)	110.7265	1.101	2	110.7265	1.212	2	111.6807	2.481	127	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[6a]-3:C-3:C-3:	C(CC[6a]C)(OC)(O)	O(CCHH)(CCO)	C(C[6a]C[6a]2)(CC[6a]Ir)(COO)	C(CC[6a]C)(OC)(O)	O(CCHH)(CCO)	C(C[6a]C[6a]2)(CC[6a]Ir)(COO)	111.4530	0.000	1	111.4530	0.000	1	111.6807	2.481	127	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[6a]-3:C-3:C-3:	C(CC[6a]C)(OC)(O)	O(CCHH)(CCO)	C(C[6a]C[6a]2)(CHN)(COO)	C(CC[6a]C)(OC)(O)	O(CCHH)(CCO)	C(C[6a]C[6a]2)(CHN)(COO)	113.3936	0.473	5	113.3936	0.224	5	111.6807	2.481	127	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[6a]-3:C-3:C-3:	C(CC[6a]C)(OC)(O)	O(CCHH)(CCO)	C(C[6a]C[6a]2)(CHO)(COO)	C(CC[6a]C)(OC)(O)	O(CCHH)(CCO)	C(C[6a]C[6a]2)(CHO)(COO)	113.2484	0.811	5	113.2484	0.657	5	111.6807	2.481	127	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[6a]-3:C-3:C-3:	C(CC[6a]C)(OC)(O)	O(CCHH)(CCO)	C(C[6a]C[6a]2)(CIrC)(COO)	C(CC[6a]C)(OC)(O)	O(CCHH)(CCO)	C(C[6a]C[6a]2)(CIrC)(COO)	108.7010	0.000	1	108.7010	0.000	1	111.6807	2.481	127	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[6a]-3:C-3:C-3:	C(CC[6a]C)(OC)(O)	O(CCHH)(CCO)	C(C[6a]C[6a]2)(COO)2	C(CC[6a]C)(OC)(O)	O(CCHH)(CCO)	C(C[6a]C[6a]2)(COO)2	110.9989	1.479	10	110.9989	2.188	10	111.6807	2.481	127	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[6a]-3:C-3:C-3:	C(CC[6a]C)(OC)(O)	O(CCHH)(CCO)	C(C[6a]C[6a]2)(CRhC)(COO)	C(CC[6a]C)(OC)(O)	O(CCHH)(CCO)	C(C[6a]C[6a]2)(CRhC)(COO)	108.7540	0.000	1	108.7540	0.000	1	111.6807	2.481	127	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[6a]-3:C-3:C-3:	C(CC[6a]C)(OC)(O)	O(CCHH)(CCO)	C(C[6a]C[6a]N[6a])(CC[6a]O)(COO)	C(CC[6a]C)(OC)(O)	O(CCHH)(CCO)	C(C[6a]C[6a]N[6a])(CC[6a]O)(COO)	113.0300	0.000	1	113.0300	0.000	1	111.6807	2.481	127	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[6a]-3:C-3:C-3:	C(CC[6a]C)(OC)(O)	O(CCHH)(CCO)	C(C[6a]N[5a,6a]C[6a])(CHN)(COO)	C(CC[6a]C)(OC)(O)	O(CCHH)(CCO)	C(C[6a]N[5a,6a]C[6a])(CHN)(COO)	111.4510	0.000	1	111.4510	0.000	1	111.6807	2.481	127	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[6a]-3:C-3:C-3:	C(CC[6a]C)(OC)(O)	O(CC[6a]HH)(CCO)	C(C[6a]C[6a]2)(CCH)(COO)	C(CC[6a]C)(OC)(O)	O(CC[6a]HH)(CCO)	C(C[6a]C[6a]2)(CCH)(COO)	111.9140	0.000	1	111.9140	0.000	1	111.6807	2.481	127	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[6a]-3:C-3:C-3:	C(CC[6a]C)(OC)(O)	O(CC[6a]HH)(CCO)	C(C[6a]C[6a]2)(COO)2	C(CC[6a]C)(OC)(O)	O(CC[6a]HH)(CCO)	C(C[6a]C[6a]2)(COO)2	110.0798	1.281	10	110.0798	1.640	10	111.6807	2.481	127	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[6a]-3:C-3:C-3:	C(CC[6a]C)(OC)(O)	O(CH3)(CCO)	C(C[6a]C[5,6a]C[6a])(CCO)(COO)	C(CC[6a]C)(OC)(O)	O(CH3)(CCO)	C(C[6a]C[5,6a]C[6a])(CCO)(COO)	114.3505	0.835	2	114.3505	0.697	2	111.6807	2.481	127	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[6a]-3:C-3:C-3:	C(CC[6a]C)(OC)(O)	O(CH3)(CCO)	C(C[6a]C[5,6a]C[6a])(CN[5]H)(COO)	C(CC[6a]C)(OC)(O)	O(CH3)(CCO)	C(C[6a]C[5,6a]C[6a])(CN[5]H)(COO)	113.5147	0.218	3	113.5147	0.048	3	111.6807	2.481	127	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[6a]-3:C-3:C-3:	C(CC[6a]C)(OC)(O)	O(CH3)(CCO)	C(C[6a]C[5a,6a]C[6a])(CCO)(COO)	C(CC[6a]C)(OC)(O)	O(CH3)(CCO)	C(C[6a]C[5a,6a]C[6a])(CCO)(COO)	115.3590	0.000	1	115.3590	0.000	1	111.6807	2.481	127	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[6a]-3:C-3:C-3:	C(CC[6a]C)(OC)(O)	O(CH3)(CCO)	C(C[6a]C[6a,6a]C[6a])(CC[6a]H)(COO)	C(CC[6a]C)(OC)(O)	O(CH3)(CCO)	C(C[6a]C[6a,6a]C[6a])(CC[6a]H)(COO)	111.9030	0.198	2	111.9030	0.039	2	111.6807	2.481	127	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[6a]-3:C-3:C-3:	C(CC[6a]C)(OC)(O)	O(CH3)(CCO)	C(C[6a]C[6a,6a]C[6a])(CIrC)(COO)	C(CC[6a]C)(OC)(O)	O(CH3)(CCO)	C(C[6a]C[6a,6a]C[6a])(CIrC)(COO)	112.9260	0.000	1	112.9260	0.000	1	111.6807	2.481	127	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[6a]-3:C-3:C-3:	C(CC[6a]C)(OC)(O)	O(CH3)(CCO)	C(C[6a]C[6a,6a]C[6a])(CRhC)(COO)	C(CC[6a]C)(OC)(O)	O(CH3)(CCO)	C(C[6a]C[6a,6a]C[6a])(CRhC)(COO)	112.4670	0.000	1	112.4670	0.000	1	111.6807	2.481	127	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[6a]-3:C-3:C-3:	C(CC[6a]C)(OC)(O)	O(CH3)(CCO)	C(C[6a]C[6a]2)(CCC)(COO)	C(CC[6a]C)(OC)(O)	O(CH3)(CCO)	C(C[6a]C[6a]2)(CCC)(COO)	108.1700	0.000	2	108.1700	0.000	2	111.6807	2.481	127	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[6a]-3:C-3:C-3:	C(CC[6a]C)(OC)(O)	O(CH3)(CCO)	C(C[6a]C[6a]2)(CCH)(COO)	C(CC[6a]C)(OC)(O)	O(CH3)(CCO)	C(C[6a]C[6a]2)(CCH)(COO)	112.9058	1.176	5	112.9058	1.384	5	111.6807	2.481	127	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[6a]-3:C-3:C-3:	C(CC[6a]C)(OC)(O)	O(CH3)(CCO)	C(C[6a]C[6a]2)(CCN)(COO)	C(CC[6a]C)(OC)(O)	O(CH3)(CCO)	C(C[6a]C[6a]2)(CCN)(COO)	111.9600	0.000	1	111.9600	0.000	1	111.6807	2.481	127	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[6a]-3:C-3:C-3:	C(CC[6a]C)(OC)(O)	O(CH3)(CCO)	C(C[6a]C[6a]2)(CC[5a]H)(COO)	C(CC[6a]C)(OC)(O)	O(CH3)(CCO)	C(C[6a]C[6a]2)(CC[5a]H)(COO)	113.3520	0.000	1	113.3520	0.000	1	111.6807	2.481	127	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[6a]-3:C-3:C-3:	C(CC[6a]C)(OC)(O)	O(CH3)(CCO)	C(C[6a]C[6a]2)(CC[6]C)(COO)	C(CC[6a]C)(OC)(O)	O(CH3)(CCO)	C(C[6a]C[6a]2)(CC[6]C)(COO)	109.8500	0.000	1	109.8500	0.000	1	111.6807	2.481	127	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[6a]-3:C-3:C-3:	C(CC[6a]C)(OC)(O)	O(CH3)(CCO)	C(C[6a]C[6a]2)(CC[6a]2)(COO)	C(CC[6a]C)(OC)(O)	O(CH3)(CCO)	C(C[6a]C[6a]2)(CC[6a]2)(COO)	111.5073	0.555	3	111.5073	0.308	3	111.6807	2.481	127	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[6a]-3:C-3:C-3:	C(CC[6a]C)(OC)(O)	O(CH3)(CCO)	C(C[6a]C[6a]2)(CC[6a]C)(COO)	C(CC[6a]C)(OC)(O)	O(CH3)(CCO)	C(C[6a]C[6a]2)(CC[6a]C)(COO)	110.8100	0.724	2	110.8100	0.524	2	111.6807	2.481	127	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[6a]-3:C-3:C-3:	C(CC[6a]C)(OC)(O)	O(CH3)(CCO)	C(C[6a]C[6a]2)(CC[6a]H)(COO)	C(CC[6a]C)(OC)(O)	O(CH3)(CCO)	C(C[6a]C[6a]2)(CC[6a]H)(COO)	112.4375	0.592	2	112.4375	0.350	2	111.6807	2.481	127	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[6a]-3:C-3:C-3:	C(CC[6a]C)(OC)(O)	O(CH3)(CCO)	C(C[6a]C[6a]2)(CC[6a]O)(COO)	C(CC[6a]C)(OC)(O)	O(CH3)(CCO)	C(C[6a]C[6a]2)(CC[6a]O)(COO)	110.0100	0.000	1	110.0100	0.000	1	111.6807	2.481	127	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[6a]-3:C-3:C-3:	C(CC[6a]C)(OC)(O)	O(CH3)(CCO)	C(C[6a]C[6a]2)(CC[6a]Pd)(COO)	C(CC[6a]C)(OC)(O)	O(CH3)(CCO)	C(C[6a]C[6a]2)(CC[6a]Pd)(COO)	112.3837	1.641	3	112.3837	2.693	3	111.6807	2.481	127	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[6a]-3:C-3:C-3:	C(CC[6a]C)(OC)(O)	O(CH3)(CCO)	C(C[6a]C[6a]2)(CHH)(COO)	C(CC[6a]C)(OC)(O)	O(CH3)(CCO)	C(C[6a]C[6a]2)(CHH)(COO)	111.7950	0.000	1	111.7950	0.000	1	111.6807	2.481	127	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[6a]-3:C-3:C-3:	C(CC[6a]C)(OC)(O)	O(CH3)(CCO)	C(C[6a]C[6a]2)(CHN)(COO)	C(CC[6a]C)(OC)(O)	O(CH3)(CCO)	C(C[6a]C[6a]2)(CHN)(COO)	111.7070	0.941	8	111.7070	0.886	8	111.6807	2.481	127	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[6a]-3:C-3:C-3:	C(CC[6a]C)(OC)(O)	O(CH3)(CCO)	C(C[6a]C[6a]2)(CHO)(COO)	C(CC[6a]C)(OC)(O)	O(CH3)(CCO)	C(C[6a]C[6a]2)(CHO)(COO)	112.0833	0.192	3	112.0833	0.037	3	111.6807	2.481	127	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[6a]-3:C-3:C-3:	C(CC[6a]C)(OC)(O)	O(CH3)(CCO)	C(C[6a]C[6a]2)(CIrC)(COO)	C(CC[6a]C)(OC)(O)	O(CH3)(CCO)	C(C[6a]C[6a]2)(CIrC)(COO)	111.7185	1.405	13	111.7185	1.974	13	111.6807	2.481	127	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[6a]-3:C-3:C-3:	C(CC[6a]C)(OC)(O)	O(CH3)(CCO)	C(C[6a]C[6a]2)(COO)2	C(CC[6a]C)(OC)(O)	O(CH3)(CCO)	C(C[6a]C[6a]2)(COO)2	110.4780	1.135	4	110.4780	1.288	4	111.6807	2.481	127	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[6a]-3:C-3:C-3:	C(CC[6a]C)(OC)(O)	O(CH3)(CCO)	C(C[6a]C[6a]2)(CPdC)(COO)	C(CC[6a]C)(OC)(O)	O(CH3)(CCO)	C(C[6a]C[6a]2)(CPdC)(COO)	111.4477	1.004	6	111.4477	1.007	6	111.6807	2.481	127	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[6a]-3:C-3:C-3:	C(CC[6a]C)(OC)(O)	O(CH3)(CCO)	C(C[6a]C[6a]2)(CRhC)(COO)	C(CC[6a]C)(OC)(O)	O(CH3)(CCO)	C(C[6a]C[6a]2)(CRhC)(COO)	113.2595	1.327	4	113.2595	1.762	4	111.6807	2.481	127	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[6a]-3:C-3:C-3:	C(CC[6a]C)(OC)(O)	O(CH3)(CCO)	C(C[6a]C[6a]2)(CRuC)(COO)	C(CC[6a]C)(OC)(O)	O(CH3)(CCO)	C(C[6a]C[6a]2)(CRuC)(COO)	111.5260	0.000	1	111.5260	0.000	1	111.6807	2.481	127	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[6a]-3:C[5]-3:C-3:	C(CC[6a]C[5])(OC)(O)	O(CH3)(CCO)	C(C[6a]C[6a]2)(C[5]C[5]2)(COO)	C(CC[6a]C[5])(OC)(O)	O(CH3)(CCO)	C(C[6a]C[6a]2)(C[5]C[5]2)(COO)	111.6745	1.877	2	111.6745	3.525	2	111.6745	3.525	2	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[6a]-3:C[6]-3:C-3:	C(CC[6a]C[6])(OC)(O)	O(CCHH)(CCO)	C(C[6a]C[6a,6a]C[6a])(C[6]S[6]2)(COO)	C(CC[6a]C[6])(OC)(O)	O(CCHH)(CCO)	C(C[6a]C[6a,6a]C[6a])(C[6]S[6]2)(COO)	113.4370	0.000	1	113.4370	0.000	1	112.5795	1.471	2	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[6a]-3:C[6]-3:C-3:	C(CC[6a]C[6])(OC)(O)	O(CH3)(CCO)	C(C[6a]C[6a]2)(C[6]C[6]2)(COO)	C(CC[6a]C[6])(OC)(O)	O(CH3)(CCO)	C(C[6a]C[6a]2)(C[6]C[6]2)(COO)	111.7220	0.000	1	111.7220	0.000	1	112.5795	1.471	2	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C(CC[6a]2)(OC)(O)	O(CCHH)(CCO)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(COO)	C(CC[6a]2)(OC)(O)	O(CCHH)(CCO)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(COO)	113.8110	0.000	1	113.8110	0.000	1	113.8110	0.000	1	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[6a]-3:N-3:C-3:	C(CC[6a]N)(OC)(O)	O(CH3)(CCO)	C(C[6a]C[6a]2)(NC[6a]O)(COO)	C(CC[6a]N)(OC)(O)	O(CH3)(CCO)	C(C[6a]C[6a]2)(NC[6a]O)(COO)	111.6570	1.901	2	111.6570	3.613	2	111.4430	1.394	4	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[6a]-3:N-3:C-3:	C(CC[6a]N)(OC)(O)	O(CH3)(CCO)	C(C[6a]C[6a]2)(NNiC)(COO)	C(CC[6a]N)(OC)(O)	O(CH3)(CCO)	C(C[6a]C[6a]2)(NNiC)(COO)	111.2290	0.621	2	111.2290	0.385	2	111.4430	1.394	4	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	Ge[6]-3:C-3:C-3:	C(CGe[6]C)(OC)(O)	O(CC3)(CCO)	C(Ge[6]N[6]2)(CCH)(COO)	C(CGe[6]C)(OC)(O)	O(CC3)(CCO)	C(Ge[6]N[6]2)(CCH)(COO)	110.6860	0.000	1	110.6860	0.000	1	111.3440	0.673	4	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	Ge[6]-3:C-3:C-3:	C(CGe[6]C)(OC)(O)	O(CCHH)(CCO)	C(Ge[6]N[6]2)(CCH)(COO)	C(CGe[6]C)(OC)(O)	O(CCHH)(CCO)	C(Ge[6]N[6]2)(CCH)(COO)	110.9400	0.000	1	110.9400	0.000	1	111.3440	0.673	4	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	Ge[6]-3:C-3:C-3:	C(CGe[6]C)(OC)(O)	O(CCHH)(CCO)	C(Ge[6]N[6]2)(CHH)(COO)	C(CGe[6]C)(OC)(O)	O(CCHH)(CCO)	C(Ge[6]N[6]2)(CHH)(COO)	111.2200	0.000	1	111.2200	0.000	1	111.3440	0.673	4	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	Ge[6]-3:C-3:C-3:	C(CGe[6]C)(OC)(O)	O(CH3)(CCO)	C(Ge[6]N[6]2)(CCH)(COO)	C(CGe[6]C)(OC)(O)	O(CH3)(CCO)	C(Ge[6]N[6]2)(CCH)(COO)	112.5300	0.000	1	112.5300	0.000	1	111.3440	0.673	4	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	N-3:C-3:C-3:	C(CCN)(OC)(O)	O(CCHH)(CCO)	C(NC[6a]H)(CCH)(COO)	C(CCN)(OC)(O)	O(CCHH)(CCO)	C(NC[6a]H)(CCH)(COO)	111.9260	1.394	2	111.9260	1.944	2	112.1326	1.250	9	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	N-3:C-3:C-3:	C(CCN)(OC)(O)	O(CCHH)(CCO)	C(NC[6a]O)(CCN)(COO)	C(CCN)(OC)(O)	O(CCHH)(CCO)	C(NC[6a]O)(CCN)(COO)	112.6015	0.125	2	112.6015	0.016	2	112.1326	1.250	9	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	N-3:C-3:C-3:	C(CCN)(OC)(O)	O(CH3)(CCO)	C(NC[6a]C)(CCH)(COO)	C(CCN)(OC)(O)	O(CH3)(CCO)	C(NC[6a]C)(CCH)(COO)	112.6800	0.000	1	112.6800	0.000	1	112.1326	1.250	9	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	N-3:C-3:C-3:	C(CCN)(OC)(O)	O(CH3)(CCO)	C(NC[6a]H)(CCH)(COO)	C(CCN)(OC)(O)	O(CH3)(CCO)	C(NC[6a]H)(CCH)(COO)	113.2280	0.000	1	113.2280	0.000	1	112.1326	1.250	9	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	N-3:C-3:C-3:	C(CCN)(OC)(O)	O(CH3)(CCO)	C(NC[6a]P)(CCC)(COO)	C(CCN)(OC)(O)	O(CH3)(CCO)	C(NC[6a]P)(CCC)(COO)	110.6180	0.000	1	110.6180	0.000	1	112.1326	1.250	9	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	N-3:C-3:C-3:	C(CCN)(OC)(O)	O(CH3)(CCO)	C(NC[6a]Pt)(CCN)(COO)	C(CCN)(OC)(O)	O(CH3)(CCO)	C(NC[6a]Pt)(CCN)(COO)	111.8060	1.872	2	111.8060	3.506	2	112.1326	1.250	9	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	N[4]-3:C-3:C-3:	C(CN[4]C)(OC)(O)	O(CC[6a]2H)(CCO)	C(N[4]C[4,5]C[4])(CN[6]C)(COO)	C(CN[4]C)(OC)(O)	O(CC[6a]2H)(CCO)	C(N[4]C[4,5]C[4])(CN[6]C)(COO)	110.9330	0.000	1	110.9330	0.000	1	111.2272	0.961	4	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	N[4]-3:C-3:C-3:	C(CN[4]C)(OC)(O)	O(CC[6a]HH)(CCO)	C(N[4]C[4]2)(CCC)(COO)	C(CN[4]C)(OC)(O)	O(CC[6a]HH)(CCO)	C(N[4]C[4]2)(CCC)(COO)	111.0630	0.000	1	111.0630	0.000	1	111.2272	0.961	4	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	N[4]-3:C-3:C-3:	C(CN[4]C)(OC)(O)	O(CC[6a]HH)(CCO)	C(N[4]C[4]2)(CCO)(COO)	C(CN[4]C)(OC)(O)	O(CC[6a]HH)(CCO)	C(N[4]C[4]2)(CCO)(COO)	112.6110	0.000	1	112.6110	0.000	1	111.2272	0.961	4	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	N[4]-3:C-3:C-3:	C(CN[4]C)(OC)(O)	O(CH3)(CCO)	C(N[4]C[4,5]C[4])(CC[5a]H)(COO)	C(CN[4]C)(OC)(O)	O(CH3)(CCO)	C(N[4]C[4,5]C[4])(CC[5a]H)(COO)	110.3020	0.000	1	110.3020	0.000	1	111.2272	0.961	4	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	N[5]-3:C-3:C-3:	C(CN[5]C)(OC)(O)	O(CC3)(CCO)	C(N[5]C[5]2)(CHH)(COO)	C(CN[5]C)(OC)(O)	O(CC3)(CCO)	C(N[5]C[5]2)(CHH)(COO)	111.7340	0.000	1	111.7340	0.000	1	111.5157	0.543	16	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	N[5]-3:C-3:C-3:	C(CN[5]C)(OC)(O)	O(CCHH)(CCO)	C(N[5]C[5]2)(CCH)(COO)	C(CN[5]C)(OC)(O)	O(CCHH)(CCO)	C(N[5]C[5]2)(CCH)(COO)	111.9620	0.000	1	111.9620	0.000	1	111.5157	0.543	16	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	N[5]-3:C-3:C-3:	C(CN[5]C)(OC)(O)	O(CH3)(CCO)	C(N[5]C[5]2)(CCC)(COO)	C(CN[5]C)(OC)(O)	O(CH3)(CCO)	C(N[5]C[5]2)(CCC)(COO)	111.7540	0.000	1	111.7540	0.000	1	111.5157	0.543	16	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	N[5]-3:C-3:C-3:	C(CN[5]C)(OC)(O)	O(CH3)(CCO)	C(N[5]C[5]2)(CCH)(COO)	C(CN[5]C)(OC)(O)	O(CH3)(CCO)	C(N[5]C[5]2)(CCH)(COO)	111.0889	0.739	8	111.0889	0.546	8	111.5157	0.543	16	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	N[5]-3:C-3:C-3:	C(CN[5]C)(OC)(O)	O(CH3)(CCO)	C(N[5]C[5]2)(CC[6a]N)(COO)	C(CN[5]C)(OC)(O)	O(CH3)(CCO)	C(N[5]C[5]2)(CC[6a]N)(COO)	111.8710	1.027	2	111.8710	1.054	2	111.5157	0.543	16	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	N[5]-3:C-3:C-3:	C(CN[5]C)(OC)(O)	O(CH3)(CCO)	C(N[5]C[5]2)(CHH)(COO)	C(CN[5]C)(OC)(O)	O(CH3)(CCO)	C(N[5]C[5]2)(CHH)(COO)	112.1163	0.292	3	112.1163	0.085	3	111.5157	0.543	16	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	N[5a]-3:C-3:C-3:	C(CN[5a]C)(OC)(O)	O(CCHH)(CCO)	C(N[5a]C[5a,6a]N[5a])(CCN)(COO)	C(CN[5a]C)(OC)(O)	O(CCHH)(CCO)	C(N[5a]C[5a,6a]N[5a])(CCN)(COO)	114.0780	0.000	1	114.0780	0.000	1	112.2723	1.023	7	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	N[5a]-3:C-3:C-3:	C(CN[5a]C)(OC)(O)	O(CCHH)(CCO)	C(N[5a]C[5a,6a]N[5a])(CC[6a]H)(COO)	C(CN[5a]C)(OC)(O)	O(CCHH)(CCO)	C(N[5a]C[5a,6a]N[5a])(CC[6a]H)(COO)	112.1990	0.340	4	112.1990	0.116	4	112.2723	1.023	7	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	N[5a]-3:C-3:C-3:	C(CN[5a]C)(OC)(O)	O(CCHH)(CCO)	C(N[5a]N[5a]2)(CC[6a]H)(COO)	C(CN[5a]C)(OC)(O)	O(CCHH)(CCO)	C(N[5a]N[5a]2)(CC[6a]H)(COO)	112.3430	0.000	1	112.3430	0.000	1	112.2723	1.023	7	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	N[5a]-3:C-3:C-3:	C(CN[5a]C)(OC)(O)	O(CH3)(CCO)	C(N[5a]C[5a]2)(CCH)(COO)	C(CN[5a]C)(OC)(O)	O(CH3)(CCO)	C(N[5a]C[5a]2)(CCH)(COO)	110.6890	0.000	1	110.6890	0.000	1	112.2723	1.023	7	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	N[6,6]-3:C-3:C-3:	C(CN[6,6]C)(OC)(O)	O(CH3)(CCO)	C(N[6,6]C[6,6]2)(CCH)(COO)	C(CN[6,6]C)(OC)(O)	O(CH3)(CCO)	C(N[6,6]C[6,6]2)(CCH)(COO)	108.7460	0.000	1	108.7460	0.000	1	108.7460	0.000	1	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	N[6]-3:C-3:C-3:	C(CN[6]C)(OC)(O)	O(CH3)(CCO)	C(N[6]C[6,6a]C[6])(CCH)(COO)	C(CN[6]C)(OC)(O)	O(CH3)(CCO)	C(N[6]C[6,6a]C[6])(CCH)(COO)	112.9840	0.000	1	112.9840	0.000	1	111.3653	1.744	20	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	N[6]-3:C-3:C-3:	C(CN[6]C)(OC)(O)	O(CH3)(CCO)	C(N[6]C[6]2)(CCC)(COO)	C(CN[6]C)(OC)(O)	O(CH3)(CCO)	C(N[6]C[6]2)(CCC)(COO)	111.2521	0.895	10	111.2521	0.802	10	111.3653	1.744	20	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	N[6]-3:C-3:C-3:	C(CN[6]C)(OC)(O)	O(CH3)(CCO)	C(N[6]C[6]2)(CCH)(COO)	C(CN[6]C)(OC)(O)	O(CH3)(CCO)	C(N[6]C[6]2)(CCH)(COO)	111.0703	1.682	4	111.0703	2.829	4	111.3653	1.744	20	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	N[6]-3:C-3:C-3:	C(CN[6]C)(OC)(O)	O(CH3)(CCO)	C(N[6]C[6]2)(CCO)(COO)	C(CN[6]C)(OC)(O)	O(CH3)(CCO)	C(N[6]C[6]2)(CCO)(COO)	112.3887	1.200	3	112.3887	1.440	3	111.3653	1.744	20	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	N[6]-3:C-3:C-3:	C(CN[6]C)(OC)(O)	O(CH3)(CCO)	C(N[6]C[6]2)(CCS)(COO)	C(CN[6]C)(OC)(O)	O(CH3)(CCO)	C(N[6]C[6]2)(CCS)(COO)	111.8360	0.000	1	111.8360	0.000	1	111.3653	1.744	20	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	N[6]-3:C-3:C-3:	C(CN[6]C)(OC)(O)	O(CH3)(CCO)	C(N[6]C[6]2)(CC[5]C)(COO)	C(CN[6]C)(OC)(O)	O(CH3)(CCO)	C(N[6]C[6]2)(CC[5]C)(COO)	108.5190	0.000	1	108.5190	0.000	1	111.3653	1.744	20	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	S-3:C-3:C-3:	C(CCS)(OC)(O)	O(CH3)(CCO)	C(SC[5x3,5x5,20x6]Co)(CCC)(COO)	C(CCS)(OC)(O)	O(CH3)(CCO)	C(SC[5x3,5x5,20x6]Co)(CCC)(COO)	113.6580	0.000	1	113.6580	0.000	1	111.8281	1.661	14	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	S-3:C-3:C-3:	C(CCS)(OC)(O)	O(CH3)(CCO)	C(SC[5x3,5x5,20x6]Co)(CCH)(COO)	C(CCS)(OC)(O)	O(CH3)(CCO)	C(SC[5x3,5x5,20x6]Co)(CCH)(COO)	111.5620	0.000	1	111.5620	0.000	1	111.8281	1.661	14	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	S-3:C-3:C-3:	C(CCS)(OC)(O)	O(CH3)(CCO)	C(SC[5x3,5x5,20x6]Ru)(CHS)(COO)	C(CCS)(OC)(O)	O(CH3)(CCO)	C(SC[5x3,5x5,20x6]Ru)(CHS)(COO)	112.0127	0.934	3	112.0127	0.873	3	111.8281	1.661	14	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	S-3:C-3:C-3:	C(CCS)(OC)(O)	O(CH3)(CCO)	C(SMnMo)(CCS)(COO)	C(CCS)(OC)(O)	O(CH3)(CCO)	C(SMnMo)(CCS)(COO)	111.1103	0.870	4	111.1103	0.757	4	111.8281	1.661	14	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	S-3:C-3:C-3:	C(CCS)(OC)(O)	O(CH3)(CCO)	C(SMo2)(CCS)(COO)	C(CCS)(OC)(O)	O(CH3)(CCO)	C(SMo2)(CCS)(COO)	111.0193	0.658	3	111.0193	0.433	3	111.8281	1.661	14	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	S-3:C-3:C-3:	C(CCS)(OC)(O)	O(CH3)(CCO)	C(SRhC)(CCS)(COO)	C(CCS)(OC)(O)	O(CH3)(CCO)	C(SRhC)(CCS)(COO)	113.4180	2.027	2	113.4180	4.107	2	111.8281	1.661	14	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	S[5]-3:C-3:C-3:	C(CS[5]C)(OC)(O)	O(CH3)(CCO)	C(S[5]C[5,6a]2)(COO)2	C(CS[5]C)(OC)(O)	O(CH3)(CCO)	C(S[5]C[5,6a]2)(COO)2	112.8905	0.791	2	112.8905	0.626	2	112.8905	0.626	2	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	S[6]-3:C-3:C-3:	C(CS[6]C)(OC)(O)	O(CCHH)(CCO)	C(S[6]C[6,6a]2)(COO)2	C(CS[6]C)(OC)(O)	O(CCHH)(CCO)	C(S[6]C[6,6a]2)(COO)2	112.7610	1.448	4	112.7610	2.097	4	112.7610	2.097	4	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	Se-3:C-3:C-3:	C(CSeC)(OC)(O)	O(CCHH)(CCO)	C(SeCo2)(CSeH)(COO)	C(CSeC)(OC)(O)	O(CCHH)(CCO)	C(SeCo2)(CSeH)(COO)	111.6700	0.000	1	111.6700	0.000	1	113.5060	5.450	5	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	Se-3:C-3:C-3:	C(CSeC)(OC)(O)	O(CH3)(CCO)	C(SeC[5x3,5x5,20x6]Co)(CCH)(COO)	C(CSeC)(OC)(O)	O(CH3)(CCO)	C(SeC[5x3,5x5,20x6]Co)(CCH)(COO)	111.9970	0.000	1	111.9970	0.000	1	113.5060	5.450	5	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	Se-3:C-3:C-3:	C(CSeC)(OC)(O)	O(CH3)(CCO)	C(SeC[6a]C)(COO)2	C(CSeC)(OC)(O)	O(CH3)(CCO)	C(SeC[6a]C)(COO)2	113.3120	1.464	2	113.3120	2.142	2	113.5060	5.450	5	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:3:3:	C-3:O-2:O-1:	C-4:C-3:	Se-3:C-3:C-3:	C(CSeC)(OC)(O)	O(CH3)(CCO)	C(SeIr2)(CSeH)(COO)	C(CSeC)(OC)(O)	O(CH3)(CCO)	C(SeIr2)(CSeH)(COO)	117.2390	0.000	1	117.2390	0.000	1	113.5060	5.450	5	112.0415	3.417	626	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:4:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-4:C-3:	C(CCC)(OC)(O)	O(CC3)(CCO)	C(CC[6a]H)(CHHP)(COO)	C(CCC)(OC)(O)	O(CC3)(CCO)	C(CC[6a]H)(CHHP)(COO)	110.9860	0.000	1	110.9860	0.000	1	112.6837	1.265	64	112.5248	1.751	90	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:4:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-4:C-3:	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CC[5a]H)(CCHH)(COO)	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CC[5a]H)(CCHH)(COO)	113.8620	0.000	1	113.8620	0.000	1	112.6837	1.265	64	112.5248	1.751	90	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:4:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-4:C-3:	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CC[5a]H)(CHHN)(COO)	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CC[5a]H)(CHHN)(COO)	111.9150	0.000	1	111.9150	0.000	1	112.6837	1.265	64	112.5248	1.751	90	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:4:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-4:C-3:	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CC[6a]C)(CHHO)(COO)	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CC[6a]C)(CHHO)(COO)	111.3300	0.000	1	111.3300	0.000	1	112.6837	1.265	64	112.5248	1.751	90	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:4:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-4:C-3:	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CC[6a]H)(CCHH)(COO)	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CC[6a]H)(CCHH)(COO)	112.9540	1.444	3	112.9540	2.085	3	112.6837	1.265	64	112.5248	1.751	90	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:4:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-4:C-3:	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CC[6a]H)(CHHN)(COO)	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CC[6a]H)(CHHN)(COO)	112.5470	0.000	1	112.5470	0.000	1	112.6837	1.265	64	112.5248	1.751	90	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:4:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-4:C-3:	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CC[6a]N)(CHHN)(COO)	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CC[6a]N)(CHHN)(COO)	109.5510	0.000	1	109.5510	0.000	1	112.6837	1.265	64	112.5248	1.751	90	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:4:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-4:C-3:	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CSeC)(CH3)(COO)	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CSeC)(CH3)(COO)	112.9370	0.000	1	112.9370	0.000	1	112.6837	1.265	64	112.5248	1.751	90	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:4:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-4:C-3:	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CC[5a]H)(CHHO)(COO)	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CC[5a]H)(CHHO)(COO)	112.6260	0.000	1	112.6260	0.000	1	112.6837	1.265	64	112.5248	1.751	90	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:4:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-4:C-3:	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CC[5a]H)(CHHS)(COO)	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CC[5a]H)(CHHS)(COO)	112.2940	0.000	1	112.2940	0.000	1	112.6837	1.265	64	112.5248	1.751	90	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:4:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-4:C-3:	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CC[6,6]H)(CC[5]HH)(COO)	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CC[6,6]H)(CC[5]HH)(COO)	111.5550	0.000	1	111.5550	0.000	1	112.6837	1.265	64	112.5248	1.751	90	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:4:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-4:C-3:	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CC[6]H)(CCCH)(COO)	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CC[6]H)(CCCH)(COO)	114.2600	0.000	1	114.2600	0.000	1	112.6837	1.265	64	112.5248	1.751	90	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:4:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-4:C-3:	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CC[6]H)(CCHH)(COO)	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CC[6]H)(CCHH)(COO)	114.0130	0.206	2	114.0130	0.043	2	112.6837	1.265	64	112.5248	1.751	90	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:4:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-4:C-3:	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CC[6]H)(CH3)(COO)	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CC[6]H)(CH3)(COO)	113.1600	0.000	1	113.1600	0.000	1	112.6837	1.265	64	112.5248	1.751	90	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:4:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-4:C-3:	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CC[6]H)(CHHO)(COO)	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CC[6]H)(CHHO)(COO)	113.6010	0.000	1	113.6010	0.000	1	112.6837	1.265	64	112.5248	1.751	90	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:4:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-4:C-3:	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CC[6a]H)(CBrHH)(COO)	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CC[6a]H)(CBrHH)(COO)	112.5128	0.933	5	112.5128	0.871	5	112.6837	1.265	64	112.5248	1.751	90	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:4:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-4:C-3:	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CC[6a]H)(CCCH)(COO)	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CC[6a]H)(CCCH)(COO)	111.8180	1.871	2	111.8180	3.501	2	112.6837	1.265	64	112.5248	1.751	90	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:4:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-4:C-3:	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CC[6a]H)(CCHH)(COO)	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CC[6a]H)(CCHH)(COO)	112.3947	1.328	6	112.3947	1.764	6	112.6837	1.265	64	112.5248	1.751	90	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:4:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-4:C-3:	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CC[6a]H)(CF3)(COO)	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CC[6a]H)(CF3)(COO)	112.3500	0.000	1	112.3500	0.000	1	112.6837	1.265	64	112.5248	1.751	90	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:4:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-4:C-3:	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CC[6a]H)(CHHI)(COO)	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CC[6a]H)(CHHI)(COO)	113.2490	0.107	2	113.2490	0.012	2	112.6837	1.265	64	112.5248	1.751	90	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:4:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-4:C-3:	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CC[6a]H)(CHHN)(COO)	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CC[6a]H)(CHHN)(COO)	113.1422	0.693	9	113.1422	0.481	9	112.6837	1.265	64	112.5248	1.751	90	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:4:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-4:C-3:	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CC[6a]H)(CHHO)(COO)	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CC[6a]H)(CHHO)(COO)	112.8742	0.936	15	112.8742	0.877	15	112.6837	1.265	64	112.5248	1.751	90	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:4:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-4:C-3:	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CC[6a]H)(CHHS)(COO)	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CC[6a]H)(CHHS)(COO)	114.2670	0.000	1	114.2670	0.000	1	112.6837	1.265	64	112.5248	1.751	90	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:4:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-4:C-3:	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CC[6a]N)(CCHH)(COO)	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CC[6a]N)(CCHH)(COO)	112.9215	1.350	2	112.9215	1.822	2	112.6837	1.265	64	112.5248	1.751	90	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:4:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-4:C-3:	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CC[6a]O)(CIrCH)(COO)	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CC[6a]O)(CIrCH)(COO)	110.2830	0.000	1	110.2830	0.000	1	112.6837	1.265	64	112.5248	1.751	90	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:4:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:C-4:C-3:	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CPdC)(CH3)(COO)	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CPdC)(CH3)(COO)	111.5210	0.000	2	111.5210	0.000	2	112.6837	1.265	64	112.5248	1.751	90	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:4:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:Si-4:C-3:	C(CSiC)(OC)(O)	O(CH3)(CCO)	C(CC[6a]Si)(SiC3)(COO)	C(CSiC)(OC)(O)	O(CH3)(CCO)	C(CC[6a]Si)(SiC3)(COO)	114.0420	0.000	1	114.0420	0.000	1	114.0420	0.000	1	112.5248	1.751	90	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:4:3:	C-3:O-2:O-1:	C-4:C-3:	C[3]-3:C-4:C-3:	C(CC[3]C)(OC)(O)	O(CH3)(CCO)	C(C[3]C[3]2)(CCHH)(COO)	C(CC[3]C)(OC)(O)	O(CH3)(CCO)	C(C[3]C[3]2)(CCHH)(COO)	113.0115	0.146	2	113.0115	0.021	2	113.0115	0.021	2	112.5248	1.751	90	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:4:3:	C-3:O-2:O-1:	C-4:C-3:	C[5]-3:C-4:C-3:	C(CC[5]C)(OC)(O)	O(CCHH)(CCO)	C(C[5]C[5,6]C[5])(CCHH)(COO)	C(CC[5]C)(OC)(O)	O(CCHH)(CCO)	C(C[5]C[5,6]C[5])(CCHH)(COO)	110.0510	0.000	1	110.0510	0.000	1	111.8818	2.161	14	112.5248	1.751	90	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:4:3:	C-3:O-2:O-1:	C-4:C-3:	C[5]-3:C-4:C-3:	C(CC[5]C)(OC)(O)	O(CCHH)(CCO)	C(C[5]C[5]2)(CC[6a]HH)(COO)	C(CC[5]C)(OC)(O)	O(CCHH)(CCO)	C(C[5]C[5]2)(CC[6a]HH)(COO)	111.3915	0.689	2	111.3915	0.475	2	111.8818	2.161	14	112.5248	1.751	90	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:4:3:	C-3:O-2:O-1:	C-4:C-3:	C[5]-3:C-4:C-3:	C(CC[5]C)(OC)(O)	O(CCHH)(CCO)	C(C[5]N[5,5]C[5])(CCHH)(COO)	C(CC[5]C)(OC)(O)	O(CCHH)(CCO)	C(C[5]N[5,5]C[5])(CCHH)(COO)	110.4520	0.000	1	110.4520	0.000	1	111.8818	2.161	14	112.5248	1.751	90	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:4:3:	C-3:O-2:O-1:	C-4:C-3:	C[5]-3:C-4:C-3:	C(CC[5]C)(OC)(O)	O(CH3)(CCO)	C(C[5]C[5,5]N[5])(CH3)(COO)	C(CC[5]C)(OC)(O)	O(CH3)(CCO)	C(C[5]C[5,5]N[5])(CH3)(COO)	112.1291	1.376	7	112.1291	1.894	7	111.8818	2.161	14	112.5248	1.751	90	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:4:3:	C-3:O-2:O-1:	C-4:C-3:	C[5]-3:C-4:C-3:	C(CC[5]C)(OC)(O)	O(CH3)(CCO)	C(C[5]C[5,6a]C[5])(CCHH)(COO)	C(CC[5]C)(OC)(O)	O(CH3)(CCO)	C(C[5]C[5,6a]C[5])(CCHH)(COO)	111.2490	0.000	1	111.2490	0.000	1	111.8818	2.161	14	112.5248	1.751	90	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:4:3:	C-3:O-2:O-1:	C-4:C-3:	C[5]-3:C-4:C-3:	C(CC[5]C)(OC)(O)	O(CH3)(CCO)	C(C[5]C[5,6a]C[5])(CC[5]HH)(COO)	C(CC[5]C)(OC)(O)	O(CH3)(CCO)	C(C[5]C[5,6a]C[5])(CC[5]HH)(COO)	111.9350	0.000	1	111.9350	0.000	1	111.8818	2.161	14	112.5248	1.751	90	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:4:3:	C-3:O-2:O-1:	C-4:C-3:	C[5]-3:C-4:C-3:	C(CC[5]C)(OC)(O)	O(CH3)(CCO)	C(C[5]C[5]O[5])(CH3)(COO)	C(CC[5]C)(OC)(O)	O(CH3)(CCO)	C(C[5]C[5]O[5])(CH3)(COO)	114.9710	0.000	1	114.9710	0.000	1	111.8818	2.161	14	112.5248	1.751	90	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:4:3:	C-3:O-2:O-1:	C-4:C-3:	C[5]-3:P-4:C-3:	C(CC[5]P)(OC)(O)	O(CH3)(CCO)	C(C[5]C[5]2)(PC[6a]3)(COO)	C(CC[5]P)(OC)(O)	O(CH3)(CCO)	C(C[5]C[5]2)(PC[6a]3)(COO)	111.8005	1.019	2	111.8005	1.038	2	111.8005	1.038	2	112.5248	1.751	90	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:4:3:	C-3:O-2:O-1:	C-4:C-3:	C[6]-3:C-4:C-3:	C(CC[6]C)(OC)(O)	O(CCHH)(CCO)	C(C[6]C[6]O[6])(CC[6a]HH)(COO)	C(CC[6]C)(OC)(O)	O(CCHH)(CCO)	C(C[6]C[6]O[6])(CC[6a]HH)(COO)	112.9297	3.488	3	112.9297	12.164	3	111.9220	8.383	5	112.5248	1.751	90	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:4:3:	C-3:O-2:O-1:	C-4:C-3:	C[6]-3:C-4:C-3:	C(CC[6]C)(OC)(O)	O(CH3)(CCO)	C(C[6]C[6,6]C[6])(CH3)(COO)	C(CC[6]C)(OC)(O)	O(CH3)(CCO)	C(C[6]C[6,6]C[6])(CH3)(COO)	109.5190	0.000	1	109.5190	0.000	1	111.9220	8.383	5	112.5248	1.751	90	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:4:3:	C-3:O-2:O-1:	C-4:C-3:	C[6]-3:C-4:C-3:	C(CC[6]C)(OC)(O)	O(CH3)(CCO)	C(C[6]C[6]2)(CH3)(COO)	C(CC[6]C)(OC)(O)	O(CH3)(CCO)	C(C[6]C[6]2)(CH3)(COO)	111.3020	0.000	1	111.3020	0.000	1	111.9220	8.383	5	112.5248	1.751	90	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:4:3:	C-3:O-2:O-1:	Si-4:C-3:	C[6]-3:P-4:C-3:	C(CC[6]P)(OSi)(O)	O(SiC3)(CCO)	C(C[6]C[6]N[6])(PZnCC)(COO)	C(CC[6]P)(OSi)(O)	O(SiC3)(CCO)	C(C[6]C[6]N[6])(PZnCC)(COO)	112.9285	0.183	2	112.9285	0.034	2	112.9285	0.034	2	112.5248	1.751	90	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	3:6:3:	C-3:O-2:O-1:	C-4:C-3:	C-3:S-6:C-3:	C(CCS)(OC)(O)	O(CH3)(CCO)	C(CC[6a]H)(SF5)(COO)	C(CCS)(OC)(O)	O(CH3)(CCO)	C(CC[6a]H)(SF5)(COO)	115.1000	0.000	1	115.1000	0.000	1	115.1000	0.000	1	115.1000	0.000	1	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:2:3:	C-3:O-2:O-1:	C-4:C-3:	As-4:Se-2:C-3:	C(CAsSe)(OC)(O)	O(CH3)(CCO)	C(AsC[6a]3)(SeC[6a])(COO)	C(CAsSe)(OC)(O)	O(CH3)(CCO)	C(AsC[6a]3)(SeC[6a])(COO)	114.7400	0.000	1	114.7400	0.000	1	114.7400	0.000	1	114.3930	0.241	2	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:2:3:	C-3:O-2:O-1:	C-4:C-3:	P-4:I-2:C-3:	C(CIP)(OC)(O)	O(CH3)(CCO)	C(PC[6a]3)(IC[6a])(COO)	C(CIP)(OC)(O)	O(CH3)(CCO)	C(PC[6a]3)(IC[6a])(COO)	114.0460	0.000	1	114.0460	0.000	1	114.0460	0.000	1	114.3930	0.241	2	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:1:	C-3:O-2:H-1:	C-4:C-3:	C-4:C-3:H-1:	C(CCH)(OC)(H)	O(CC3)(CCH)	C(CCCO)(CHO)(H)	C(CCH)(OC)(H)	O(CC3)(CCH)	C(CCCO)(CHO)(H)	122.0600	0.000	1	122.0600	0.000	1	124.7799	8.597	8	115.9092	42.310	31	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:1:	C-3:O-2:H-1:	C-4:C-3:	C-4:C-3:H-1:	C(CCH)(OC)(H)	O(CCHN)(CCH)	C(CH3)(CHO)(H)	C(CCH)(OC)(H)	O(CCHN)(CCH)	C(CH3)(CHO)(H)	121.6740	0.000	1	121.6740	0.000	1	124.7799	8.597	8	115.9092	42.310	31	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:1:	C-3:O-2:H-1:	C-4:C-3:	C-4:C-3:H-1:	C(CCH)(OC)(H)	O(CC[6a]HN)(CCH)	C(CH3)(CHO)(H)	C(CCH)(OC)(H)	O(CC[6a]HN)(CCH)	C(CH3)(CHO)(H)	120.6670	0.000	1	120.6670	0.000	1	124.7799	8.597	8	115.9092	42.310	31	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:1:	C-3:O-2:H-1:	C-4:C-3:	C-4:C-3:H-1:	C(CCH)(OC)(H)	O(CC[6a]HO)(CCH)	C(CCHH)(CHO)(H)	C(CCH)(OC)(H)	O(CC[6a]HO)(CCH)	C(CCHH)(CHO)(H)	127.2280	0.861	4	127.2280	0.742	4	124.7799	8.597	8	115.9092	42.310	31	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:1:	C-3:O-2:H-1:	C-4:C-3:	C-4:C-3:H-1:	C(CCH)(OC)(H)	O(CH3)(CCH)	C(CC[6a]3)(CHO)(H)	C(CCH)(OC)(H)	O(CH3)(CCH)	C(CC[6a]3)(CHO)(H)	124.9260	0.000	1	124.9260	0.000	1	124.7799	8.597	8	115.9092	42.310	31	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:1:	C-3:O-2:H-1:	C-4:C-3:	C[3]-4:C-3:H-1:	C(CC[3]H)(OC)(H)	O(CCHH)(CCH)	C(C[3]C[3]2C)(CHO)(H)	C(CC[3]H)(OC)(H)	O(CCHH)(CCH)	C(C[3]C[3]2C)(CHO)(H)	128.1560	0.000	1	128.1560	0.000	1	128.1560	0.000	1	115.9092	42.310	31	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:1:	C-3:O-2:H-1:	C-4:C-3:	P-4:C-3:H-1:	C(CHP)(OC)(H)	O(CC[6a]2H)(CCH)	C(PC[6a]3)(CHO)(H)	C(CHP)(OC)(H)	O(CC[6a]2H)(CCH)	C(PC[6a]3)(CHO)(H)	121.9200	0.000	1	121.9200	0.000	1	121.9200	0.000	1	115.9092	42.310	31	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-4:C-3:H-1:	C(CCH)(OC)(O)	O(CCHH)(CCO)	C(CCHH)(COO)(H)	C(CCH)(OC)(O)	O(CCHH)(CCO)	C(CCHH)(COO)(H)	113.1930	0.000	1	113.1930	0.000	1	113.1930	0.000	1	115.9092	42.310	31	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-4:C-3:O-1:	C(CCO)(OC)(O)	O(CH3)(CCO)	C(CBrCH)(COO)(O)	C(CCO)(OC)(O)	O(CH3)(CCO)	C(CBrCH)(COO)(O)	111.0070	0.000	1	111.0070	0.000	1	111.5489	0.903	7	115.9092	42.310	31	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-4:C-3:O-1:	C(CCO)(OC)(O)	O(CH3)(CCO)	C(CCHH)(COO)(O)	C(CCO)(OC)(O)	O(CH3)(CCO)	C(CCHH)(COO)(O)	111.6153	1.130	4	111.6153	1.278	4	111.5489	0.903	7	115.9092	42.310	31	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-4:C-3:O-1:	C(CCO)(OC)(O)	O(CH3)(CCO)	C(CC[6]HH)(COO)(O)	C(CCO)(OC)(O)	O(CH3)(CCO)	C(CC[6]HH)(COO)(O)	112.4730	0.000	1	112.4730	0.000	1	111.5489	0.903	7	115.9092	42.310	31	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:1:	C-3:O-2:O-1:	C-4:C-3:	C-4:C-3:O-1:	C(CCO)(OC)(O)	O(CH3)(CCO)	C(CClCH)(COO)(O)	C(CCO)(OC)(O)	O(CH3)(CCO)	C(CClCH)(COO)(O)	110.9010	0.000	1	110.9010	0.000	1	111.5489	0.903	7	115.9092	42.310	31	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:1:	C-3:O-2:O-1:	C-4:C-3:	C[3]-4:C-3:O-1:	C(CC[3]O)(OC)(O)	O(CH3)(CCO)	C(C[3]C[3,5]C[3]H)(COO)(O)	C(CC[3]O)(OC)(O)	O(CH3)(CCO)	C(C[3]C[3,5]C[3]H)(COO)(O)	111.6275	0.742	2	111.6275	0.550	2	111.1532	0.934	4	115.9092	42.310	31	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:1:	C-3:O-2:O-1:	C-4:C-3:	C[3]-4:C-3:O-1:	C(CC[3]O)(OC)(O)	O(CH3)(CCO)	C(C[3]C[3]2H)(COO)(O)	C(CC[3]O)(OC)(O)	O(CH3)(CCO)	C(C[3]C[3]2H)(COO)(O)	110.6790	1.162	2	110.6790	1.351	2	111.1532	0.934	4	115.9092	42.310	31	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:1:	C-3:O-2:O-1:	C-4:C-3:	C[5]-4:C-3:O-1:	C(CC[5]O)(OC)(O)	O(CC3)(CCO)	C(C[5]C[5,5]O[5]C)(COO)(O)	C(CC[5]O)(OC)(O)	O(CC3)(CCO)	C(C[5]C[5,5]O[5]C)(COO)(O)	112.1660	0.000	1	112.1660	0.000	1	111.6453	0.161	6	115.9092	42.310	31	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:1:	C-3:O-2:O-1:	C-4:C-3:	C[5]-4:C-3:O-1:	C(CC[5]O)(OC)(O)	O(CCHH)(CCO)	C(C[5]C[5]2H)(COO)(O)	C(CC[5]O)(OC)(O)	O(CCHH)(CCO)	C(C[5]C[5]2H)(COO)(O)	111.5010	0.000	1	111.5010	0.000	1	111.6453	0.161	6	115.9092	42.310	31	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:1:	C-3:O-2:O-1:	C-4:C-3:	C[5]-4:C-3:O-1:	C(CC[5]O)(OC)(O)	O(CH3)(CCO)	C(C[5]C[5,5a]C[5]H)(COO)(O)	C(CC[5]O)(OC)(O)	O(CH3)(CCO)	C(C[5]C[5,5a]C[5]H)(COO)(O)	111.3160	0.000	1	111.3160	0.000	1	111.6453	0.161	6	115.9092	42.310	31	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:1:	C-3:O-2:O-1:	C-4:C-3:	C[5]-4:C-3:O-1:	C(CC[5]O)(OC)(O)	O(CH3)(CCO)	C(C[5]C[5,6]C[5]H)(COO)(O)	C(CC[5]O)(OC)(O)	O(CH3)(CCO)	C(C[5]C[5,6]C[5]H)(COO)(O)	111.2250	0.000	1	111.2250	0.000	1	111.6453	0.161	6	115.9092	42.310	31	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:1:	C-3:O-2:O-1:	C-4:C-3:	C[5]-4:C-3:O-1:	C(CC[5]O)(OC)(O)	O(CH3)(CCO)	C(C[5]C[5]2H)(COO)(O)	C(CC[5]O)(OC)(O)	O(CH3)(CCO)	C(C[5]C[5]2H)(COO)(O)	111.8320	0.399	2	111.8320	0.159	2	111.6453	0.161	6	115.9092	42.310	31	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:1:	C-3:O-2:O-1:	C-4:C-3:	C[6]-4:C-3:O-1:	C(CC[6]O)(OC)(O)	O(CH3)(CCO)	C(C[6]C[6]2H)(COO)(O)	C(CC[6]O)(OC)(O)	O(CH3)(CCO)	C(C[6]C[6]2H)(COO)(O)	111.6665	0.252	2	111.6665	0.064	2	111.6665	0.064	2	115.9092	42.310	31	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:1:	C-3:O-2:O-1:	C-4:C-3:	P-4:C-3:H-1:	C(CHP)(OC)(O)	O(CH3)(CCO)	C(PC[6a]3)(COO)(H)	C(CHP)(OC)(O)	O(CH3)(CCO)	C(PC[6a]3)(COO)(H)	113.0160	0.000	1	113.0160	0.000	1	113.0160	0.000	1	115.9092	42.310	31	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:2:	C-3:O-2:H-1:	C-4:C-3:	S-4:C-3:C-2:	C(CCS)(OC)(H)	O(CCHH)(CCH)	C(SC[6a]OO)(CHO)(CN)	C(CCS)(OC)(H)	O(CCHH)(CCH)	C(SC[6a]OO)(CHO)(CN)	120.5610	0.000	1	120.5610	0.000	1	120.5610	0.000	1	112.3835	3.374	34	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:2:	C-3:O-2:O-1:	C-4:C-3:	C-4:C-3:C-2:	C(CCC)(OC)(O)	O(CCCH)(CCO)	C(CH3)(COO)(CC)	C(CCC)(OC)(O)	O(CCCH)(CCO)	C(CH3)(COO)(CC)	113.2020	0.000	1	113.2020	0.000	1	112.9275	0.151	2	112.3835	3.374	34	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:2:	C-3:O-2:O-1:	C-4:C-3:	C-4:C-3:C-2:	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CC[6a]HH)(COO)(CC)	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CC[6a]HH)(COO)(CC)	112.6530	0.000	1	112.6530	0.000	1	112.9275	0.151	2	112.3835	3.374	34	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:2:	C-3:O-2:O-1:	C-4:C-3:	C-4:C-3:N-2:	C(CCN)(OC)(O)	O(CCCH)(CCO)	C(CC[6a]HN)(COO)(NN)	C(CCN)(OC)(O)	O(CCCH)(CCO)	C(CC[6a]HN)(COO)(NN)	111.6730	0.000	1	111.6730	0.000	1	112.3653	1.191	19	112.3835	3.374	34	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:2:	C-3:O-2:O-1:	C-4:C-3:	C-4:C-3:N-2:	C(CCN)(OC)(O)	O(CCHH)(CCO)	C(CCHN)(COO)(NN)	C(CCN)(OC)(O)	O(CCHH)(CCO)	C(CCHN)(COO)(NN)	112.9500	0.000	1	112.9500	0.000	1	112.3653	1.191	19	112.3835	3.374	34	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:2:	C-3:O-2:O-1:	C-4:C-3:	C-4:C-3:N-2:	C(CCN)(OC)(O)	O(CCHH)(CCO)	C(CCHS)(COO)(NN)	C(CCN)(OC)(O)	O(CCHH)(CCO)	C(CCHS)(COO)(NN)	110.2790	0.000	1	110.2790	0.000	1	112.3653	1.191	19	112.3835	3.374	34	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:2:	C-3:O-2:O-1:	C-4:C-3:	C-4:C-3:N-2:	C(CCN)(OC)(O)	O(CCHH)(CCO)	C(CC[5]HH)(COO)(NO)	C(CCN)(OC)(O)	O(CCHH)(CCO)	C(CC[5]HH)(COO)(NO)	112.0000	0.000	1	112.0000	0.000	1	112.3653	1.191	19	112.3835	3.374	34	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:2:	C-3:O-2:O-1:	C-4:C-3:	C-4:C-3:N-2:	C(CCN)(OC)(O)	O(CCHH)(CCO)	C(CC[6a]CH)(COO)(NN)	C(CCN)(OC)(O)	O(CCHH)(CCO)	C(CC[6a]CH)(COO)(NN)	112.2890	0.000	1	112.2890	0.000	1	112.3653	1.191	19	112.3835	3.374	34	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:2:	C-3:O-2:O-1:	C-4:C-3:	C-4:C-3:N-2:	C(CCN)(OC)(O)	O(CCHH)(CCO)	C(CC[6a]HH)(COO)(NN)	C(CCN)(OC)(O)	O(CCHH)(CCO)	C(CC[6a]HH)(COO)(NN)	114.1740	0.000	1	114.1740	0.000	1	112.3653	1.191	19	112.3835	3.374	34	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:2:	C-3:O-2:O-1:	C-4:C-3:	C-4:C-3:N-2:	C(CCN)(OC)(O)	O(CCHH)(CCO)	C(CC[6a]N[6]H)(COO)(NN)	C(CCN)(OC)(O)	O(CCHH)(CCO)	C(CC[6a]N[6]H)(COO)(NN)	112.0545	0.134	2	112.0545	0.018	2	112.3653	1.191	19	112.3835	3.374	34	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:2:	C-3:O-2:O-1:	C-4:C-3:	C-4:C-3:N-2:	C(CCN)(OC)(O)	O(CCHH)(CCO)	C(CH3)(COO)(NN)	C(CCN)(OC)(O)	O(CCHH)(CCO)	C(CH3)(COO)(NN)	113.6475	0.241	2	113.6475	0.058	2	112.3653	1.191	19	112.3835	3.374	34	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:2:	C-3:O-2:O-1:	C-4:C-3:	C-4:C-3:N-2:	C(CCN)(OC)(O)	O(CCHH)(CCO)	C(CH3)(COO)(NO)	C(CCN)(OC)(O)	O(CCHH)(CCO)	C(CH3)(COO)(NO)	112.8475	0.371	2	112.8475	0.138	2	112.3653	1.191	19	112.3835	3.374	34	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:2:	C-3:O-2:O-1:	C-4:C-3:	C-4:C-3:N-2:	C(CCN)(OC)(O)	O(CH3)(CCO)	C(CCHH)(COO)(NN)	C(CCN)(OC)(O)	O(CH3)(CCO)	C(CCHH)(COO)(NN)	112.9905	1.585	2	112.9905	2.511	2	112.3653	1.191	19	112.3835	3.374	34	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:2:	C-3:O-2:O-1:	C-4:C-3:	C-4:C-3:N-2:	C(CCN)(OC)(O)	O(CH3)(CCO)	C(CCHH)(COO)(NO)	C(CCN)(OC)(O)	O(CH3)(CCO)	C(CCHH)(COO)(NO)	111.2080	0.006	2	111.2080	0.000	2	112.3653	1.191	19	112.3835	3.374	34	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:2:	C-3:O-2:O-1:	C-4:C-3:	C-4:C-3:N-2:	C(CCN)(OC)(O)	O(CH3)(CCO)	C(CCHN)(COO)(NN)	C(CCN)(OC)(O)	O(CH3)(CCO)	C(CCHN)(COO)(NN)	112.9160	0.000	1	112.9160	0.000	1	112.3653	1.191	19	112.3835	3.374	34	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:2:	C-3:O-2:O-1:	C-4:C-3:	C-4:C-3:N-2:	C(CCN)(OC)(O)	O(CH3)(CCO)	C(CC[6a]HN)(COO)(NN)	C(CCN)(OC)(O)	O(CH3)(CCO)	C(CC[6a]HN)(COO)(NN)	112.3520	0.000	1	112.3520	0.000	1	112.3653	1.191	19	112.3835	3.374	34	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:2:	C-3:O-2:O-1:	C-4:C-3:	C-4:C-3:N-2:	C(CCN)(OC)(O)	O(CH3)(CCO)	C(CH3)(COO)(NN)	C(CCN)(OC)(O)	O(CH3)(CCO)	C(CH3)(COO)(NN)	110.8110	0.000	1	110.8110	0.000	1	112.3653	1.191	19	112.3835	3.374	34	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:2:	C-3:O-2:O-1:	C-4:C-3:	C-4:C-3:O-2:	C(CCO)(OC)(O)	O(CH3)(CCO)	C(CC[6a]CC)(COO)(OIr)	C(CCO)(OC)(O)	O(CH3)(CCO)	C(CC[6a]CC)(COO)(OIr)	110.2860	0.000	1	110.2860	0.000	1	110.2860	0.000	1	112.3835	3.374	34	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:2:	C-3:O-2:O-1:	C-4:C-3:	C[5]-4:C-3:C-2:	C(CC[5]C)(OC)(O)	O(CCHH)(CCO)	C(C[5]C[5,6a]C[6a]C[5])(COO)(CC)	C(CC[5]C)(OC)(O)	O(CCHH)(CCO)	C(C[5]C[5,6a]C[6a]C[5])(COO)(CC)	112.8970	0.000	1	112.8970	0.000	1	112.8970	0.000	1	112.3835	3.374	34	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:2:	C-3:O-2:O-1:	C-4:C-3:	C[5]-4:C-3:N-2:	C(CC[5]N)(OC)(O)	O(CCHH)(CCO)	C(C[5]C[5,6a]C[5a]N[5])(COO)(NN)	C(CC[5]N)(OC)(O)	O(CCHH)(CCO)	C(C[5]C[5,6a]C[5a]N[5])(COO)(NN)	110.8720	0.000	1	110.8720	0.000	1	111.5985	1.531	4	112.3835	3.374	34	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:2:	C-3:O-2:O-1:	C-4:C-3:	C[5]-4:C-3:N-2:	C(CC[5]N)(OC)(O)	O(CCHH)(CCO)	C(C[5]C[5,6a]N[5]C)(COO)(NN)	C(CC[5]N)(OC)(O)	O(CCHH)(CCO)	C(C[5]C[5,6a]N[5]C)(COO)(NN)	112.5640	0.000	1	112.5640	0.000	1	111.5985	1.531	4	112.3835	3.374	34	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:2:	C-3:O-2:O-1:	C-4:C-3:	C[5]-4:C-3:N-2:	C(CC[5]N)(OC)(O)	O(CCHH)(CCO)	C(C[5]C[5]N[5]C)(COO)(NN)	C(CC[5]N)(OC)(O)	O(CCHH)(CCO)	C(C[5]C[5]N[5]C)(COO)(NN)	112.7250	0.000	1	112.7250	0.000	1	111.5985	1.531	4	112.3835	3.374	34	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:2:	C-3:O-2:O-1:	C-4:C-3:	C[5]-4:C-3:N-2:	C(CC[5]N)(OC)(O)	O(CH3)(CCO)	C(C[5]C[5]2O)(COO)(NN)	C(CC[5]N)(OC)(O)	O(CH3)(CCO)	C(C[5]C[5]2O)(COO)(NN)	110.2330	0.000	1	110.2330	0.000	1	111.5985	1.531	4	112.3835	3.374	34	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:2:	C-3:O-2:O-1:	C-4:C-3:	C[6]-4:C-3:N-2:	C(CC[6]N)(OC)(O)	O(CCHH)(CCO)	C(C[6]C[6,6a]N[6]H)(COO)(NN)	C(CC[6]N)(OC)(O)	O(CCHH)(CCO)	C(C[6]C[6,6a]N[6]H)(COO)(NN)	112.0200	0.000	1	112.0200	0.000	1	111.4073	0.282	3	112.3835	3.374	34	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:2:	C-3:O-2:O-1:	C-4:C-3:	C[6]-4:C-3:N-2:	C(CC[6]N)(OC)(O)	O(CH3)(CCO)	C(C[6]C[6]N[6]O)(COO)(NN)	C(CC[6]N)(OC)(O)	O(CH3)(CCO)	C(C[6]C[6]N[6]O)(COO)(NN)	111.1010	0.007	2	111.1010	0.000	2	111.4073	0.282	3	112.3835	3.374	34	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:2:	C-3:O-2:O-1:	C-4:C-3:	N-4:C-3:N-2:	C(CNN)(OC)(O)	O(CCHH)(CCO)	C(NC3)(COO)(NN)	C(CNN)(OC)(O)	O(CCHH)(CCO)	C(NC3)(COO)(NN)	110.4220	0.000	1	110.4220	0.000	1	110.4220	0.000	1	112.3835	3.374	34	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:2:	C-3:O-2:O-1:	C-4:C-3:	P-4:C-3:C-2:	C(CCP)(OC)(O)	O(CH3)(CCO)	C(PC[6a]3)(COO)(CN)	C(CCP)(OC)(O)	O(CH3)(CCO)	C(PC[6a]3)(COO)(CN)	111.4940	0.000	1	111.4940	0.000	1	111.4940	0.000	1	112.3835	3.374	34	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:2:	C-3:O-2:O-1:	C-4:C-3:	P-4:C-3:S-2:	C(CPS)(OC)(O)	O(CH3)(CCO)	C(PC[6a]3)(COO)(SC)	C(CPS)(OC)(O)	O(CH3)(CCO)	C(PC[6a]3)(COO)(SC)	113.9680	0.000	1	113.9680	0.000	1	113.9680	0.000	1	112.3835	3.374	34	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:H-1:	C-4:C-3:	C-4:S-3:C-3:	C(CCS)(OC)(H)	O(CH3)(CCH)	C(CC[6a]HO)(SC[6a]O)(CHO)	C(CCS)(OC)(H)	O(CH3)(CCH)	C(CC[6a]HO)(SC[6a]O)(CHO)	120.4290	0.000	1	120.4290	0.000	1	120.4290	0.000	1	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:H-1:	C-4:C-3:	C[6]-4:C-3:C-3:	C(CC[6]C)(OC)(H)	O(CH3)(CCH)	C(C[6]C[6]2H)(CHO)(COO)	C(CC[6]C)(OC)(H)	O(CH3)(CCH)	C(C[6]C[6]2H)(CHO)(COO)	123.9350	0.000	1	123.9350	0.000	1	123.9350	0.000	1	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	B-4:C-3:C-3:	C(CBC)(OC)(O)	O(CH3)(CCO)	C(BC[5]HH)(CCH)(COO)	C(CBC)(OC)(O)	O(CH3)(CCO)	C(BC[5]HH)(CCH)(COO)	116.0440	0.000	1	116.0440	0.000	1	116.0440	0.000	1	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-4:C-3:C-3:	C(CCC)(OC)(O)	O(CC3)(CCO)	C(CCCH)(CHH)(COO)	C(CCC)(OC)(O)	O(CC3)(CCO)	C(CCCH)(CHH)(COO)	122.0020	0.873	2	122.0020	0.761	2	112.7273	3.117	183	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-4:C-3:C-3:	C(CCC)(OC)(O)	O(CC3)(CCO)	C(CCHH)(CCH)(COO)	C(CCC)(OC)(O)	O(CC3)(CCO)	C(CCHH)(CCH)(COO)	111.9330	0.000	1	111.9330	0.000	1	112.7273	3.117	183	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-4:C-3:C-3:	C(CCC)(OC)(O)	O(CC3)(CCO)	C(CC[5]HH)(CHH)(COO)	C(CCC)(OC)(O)	O(CC3)(CCO)	C(CC[5]HH)(CHH)(COO)	112.1130	0.000	1	112.1130	0.000	1	112.7273	3.117	183	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-4:C-3:C-3:	C(CCC)(OC)(O)	O(CC3)(CCO)	C(CC[6a]CH)(CC[6a]H)(COO)	C(CCC)(OC)(O)	O(CC3)(CCO)	C(CC[6a]CH)(CC[6a]H)(COO)	112.2660	0.000	1	112.2660	0.000	1	112.7273	3.117	183	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-4:C-3:C-3:	C(CCC)(OC)(O)	O(CC3)(CCO)	C(CC[6a]C[5]H)(CHH)(COO)	C(CCC)(OC)(O)	O(CC3)(CCO)	C(CC[6a]C[5]H)(CHH)(COO)	111.4040	0.000	1	111.4040	0.000	1	112.7273	3.117	183	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-4:C-3:C-3:	C(CCC)(OC)(O)	O(CC3)(CCO)	C(CHHN)(CHH)(COO)	C(CCC)(OC)(O)	O(CC3)(CCO)	C(CHHN)(CHH)(COO)	110.6268	0.473	4	110.6268	0.224	4	112.7273	3.117	183	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-4:C-3:C-3:	C(CCC)(OC)(O)	O(CCCH)(CCO)	C(CH3)(CCH)(COO)	C(CCC)(OC)(O)	O(CCCH)(CCO)	C(CH3)(CCH)(COO)	111.5855	1.610	8	111.5855	2.591	8	112.7273	3.117	183	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-4:C-3:C-3:	C(CCC)(OC)(O)	O(CCCH)(CCO)	C(CH3)(CHH)(COO)	C(CCC)(OC)(O)	O(CCCH)(CCO)	C(CH3)(CHH)(COO)	112.4610	0.000	1	112.4610	0.000	1	112.7273	3.117	183	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-4:C-3:C-3:	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CCCH)(CCH)(COO)	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CCCH)(CCH)(COO)	112.5640	1.523	2	112.5640	2.320	2	112.7273	3.117	183	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-4:C-3:C-3:	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CCHH)(CCH)(COO)	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CCHH)(CCH)(COO)	122.8140	0.000	1	122.8140	0.000	1	112.7273	3.117	183	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-4:C-3:C-3:	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CCHH)(CHH)(COO)	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CCHH)(CHH)(COO)	112.9408	0.810	6	112.9408	0.655	6	112.7273	3.117	183	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-4:C-3:C-3:	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CCHS)(CCH)(COO)	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CCHS)(CCH)(COO)	113.3700	0.000	1	113.3700	0.000	1	112.7273	3.117	183	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-4:C-3:C-3:	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CC[5]HH)(CCO)(COO)	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CC[5]HH)(CCO)(COO)	113.8155	2.386	2	113.8155	5.695	2	112.7273	3.117	183	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-4:C-3:C-3:	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CC[6]HH)(CC[6a]H)(COO)	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CC[6]HH)(CC[6a]H)(COO)	111.3740	0.000	1	111.3740	0.000	1	112.7273	3.117	183	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-4:C-3:C-3:	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CC[6a]CH)(CCH)(COO)	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CC[6a]CH)(CCH)(COO)	112.3610	0.000	1	112.3610	0.000	1	112.7273	3.117	183	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-4:C-3:C-3:	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CC[6a]CH)(CC[6a]H)(COO)	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CC[6a]CH)(CC[6a]H)(COO)	113.8600	0.000	1	113.8600	0.000	1	112.7273	3.117	183	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-4:C-3:C-3:	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CC[6a]CH)(CHH)(COO)	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CC[6a]CH)(CHH)(COO)	113.0270	0.000	1	113.0270	0.000	1	112.7273	3.117	183	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-4:C-3:C-3:	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CC[6a]C[5]H)(CHH)(COO)	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CC[6a]C[5]H)(CHH)(COO)	112.5990	0.000	1	112.5990	0.000	1	112.7273	3.117	183	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-4:C-3:C-3:	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CC[6a]C[6]H)(CC[6]H)(COO)	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CC[6a]C[6]H)(CC[6]H)(COO)	111.4860	0.000	1	111.4860	0.000	1	112.7273	3.117	183	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-4:C-3:C-3:	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CC[6a]HH)(CC[6a]O)(COO)	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CC[6a]HH)(CC[6a]O)(COO)	112.8100	0.000	1	112.8100	0.000	1	112.7273	3.117	183	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-4:C-3:C-3:	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CC[6a]HN)(CCH)(COO)	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CC[6a]HN)(CCH)(COO)	112.8760	1.597	2	112.8760	2.549	2	112.7273	3.117	183	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-4:C-3:C-3:	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CC[6a]HO)(CHH)(COO)	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CC[6a]HO)(CHH)(COO)	112.8660	0.000	1	112.8660	0.000	1	112.7273	3.117	183	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-4:C-3:C-3:	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CC[6a]HP)(CC[6a]O)(COO)	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CC[6a]HP)(CC[6a]O)(COO)	115.0030	0.000	1	115.0030	0.000	1	112.7273	3.117	183	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-4:C-3:C-3:	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CC[6a]HS)(CHH)(COO)	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CC[6a]HS)(CHH)(COO)	112.8450	0.000	1	112.8450	0.000	1	112.7273	3.117	183	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-4:C-3:C-3:	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CC[6a]N[5]H)(CCC)(COO)	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CC[6a]N[5]H)(CCC)(COO)	110.0010	0.000	1	110.0010	0.000	1	112.7273	3.117	183	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-4:C-3:C-3:	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CH3)(CCH)(COO)	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CH3)(CCH)(COO)	113.6105	1.730	2	113.6105	2.994	2	112.7273	3.117	183	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-4:C-3:C-3:	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CH3)(CHH)(COO)	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CH3)(CHH)(COO)	111.9968	1.265	9	111.9968	1.601	9	112.7273	3.117	183	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-4:C-3:C-3:	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CHHN)(CHH)(COO)	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CHHN)(CHH)(COO)	111.5310	0.000	1	111.5310	0.000	1	112.7273	3.117	183	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-4:C-3:C-3:	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CN[5]HH)(CC[6a]H)(COO)	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CN[5]HH)(CC[6a]H)(COO)	113.2250	0.000	1	113.2250	0.000	1	112.7273	3.117	183	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-4:C-3:C-3:	C(CCC)(OC)(O)	O(CC[5]2H)(CCO)	C(CH3)(CCH)(COO)	C(CCC)(OC)(O)	O(CC[5]2H)(CCO)	C(CH3)(CCH)(COO)	111.4098	2.190	8	111.4098	4.795	8	112.7273	3.117	183	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-4:C-3:C-3:	C(CCC)(OC)(O)	O(CC[5]CH)(CCO)	C(CH3)(CCH)(COO)	C(CCC)(OC)(O)	O(CC[5]CH)(CCO)	C(CH3)(CCH)(COO)	111.3120	0.911	2	111.3120	0.829	2	112.7273	3.117	183	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-4:C-3:C-3:	C(CCC)(OC)(O)	O(CC[5]CH)(CCO)	C(CH3)(CHH)(COO)	C(CCC)(OC)(O)	O(CC[5]CH)(CCO)	C(CH3)(CHH)(COO)	111.5980	0.173	2	111.5980	0.030	2	112.7273	3.117	183	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-4:C-3:C-3:	C(CCC)(OC)(O)	O(CC[5]CH)(CCO)	C(CHHO)(CCH)(COO)	C(CCC)(OC)(O)	O(CC[5]CH)(CCO)	C(CHHO)(CCH)(COO)	114.4480	0.000	1	114.4480	0.000	1	112.7273	3.117	183	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-4:C-3:C-3:	C(CCC)(OC)(O)	O(CC[5]CH)(CCO)	C(CHHO)(CHH)(COO)	C(CCC)(OC)(O)	O(CC[5]CH)(CCO)	C(CHHO)(CHH)(COO)	111.1430	0.000	1	111.1430	0.000	1	112.7273	3.117	183	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-4:C-3:C-3:	C(CCC)(OC)(O)	O(CC[5]HH)(CCO)	C(CH3)(CHH)(COO)	C(CCC)(OC)(O)	O(CC[5]HH)(CCO)	C(CH3)(CHH)(COO)	113.3610	0.000	1	113.3610	0.000	1	112.7273	3.117	183	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-4:C-3:C-3:	C(CCC)(OC)(O)	O(CC[6]HH)(CCO)	C(CH3)(CCH)(COO)	C(CCC)(OC)(O)	O(CC[6]HH)(CCO)	C(CH3)(CCH)(COO)	112.5585	0.332	2	112.5585	0.110	2	112.7273	3.117	183	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-4:C-3:C-3:	C(CCC)(OC)(O)	O(CC[6]HH)(CCO)	C(CH3)(CHH)(COO)	C(CCC)(OC)(O)	O(CC[6]HH)(CCO)	C(CH3)(CHH)(COO)	113.3630	0.000	1	113.3630	0.000	1	112.7273	3.117	183	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-4:C-3:C-3:	C(CCC)(OC)(O)	O(CC[6a]2H)(CCO)	C(CC[5a]HN)(CHH)(COO)	C(CCC)(OC)(O)	O(CC[6a]2H)(CCO)	C(CC[5a]HN)(CHH)(COO)	110.4760	0.000	1	110.4760	0.000	1	112.7273	3.117	183	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-4:C-3:C-3:	C(CCC)(OC)(O)	O(CC[6a]3)(CCO)	C(CH3)(CHH)(COO)	C(CCC)(OC)(O)	O(CC[6a]3)(CCO)	C(CH3)(CHH)(COO)	112.0783	0.815	3	112.0783	0.664	3	112.7273	3.117	183	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-4:C-3:C-3:	C(CCC)(OC)(O)	O(CC[6a]CH)(CCO)	C(CH3)(CHH)(COO)	C(CCC)(OC)(O)	O(CC[6a]CH)(CCO)	C(CH3)(CHH)(COO)	112.9720	0.000	1	112.9720	0.000	1	112.7273	3.117	183	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-4:C-3:C-3:	C(CCC)(OC)(O)	O(CC[6a]HH)(CCO)	C(CC[5]CH)(CHH)(COO)	C(CCC)(OC)(O)	O(CC[6a]HH)(CCO)	C(CC[5]CH)(CHH)(COO)	111.7350	0.000	1	111.7350	0.000	1	112.7273	3.117	183	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-4:C-3:C-3:	C(CCC)(OC)(O)	O(CC[6a]HH)(CCO)	C(CH3)(CHH)(COO)	C(CCC)(OC)(O)	O(CC[6a]HH)(CCO)	C(CH3)(CHH)(COO)	112.6580	0.000	1	112.6580	0.000	1	112.7273	3.117	183	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-4:C-3:C-3:	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CBrPdC)(CCC)(COO)	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CBrPdC)(CCC)(COO)	111.1400	0.000	1	111.1400	0.000	1	112.7273	3.117	183	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-4:C-3:C-3:	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CCCH)(CBiC)(COO)	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CCCH)(CBiC)(COO)	111.4850	0.000	1	111.4850	0.000	1	112.7273	3.117	183	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-4:C-3:C-3:	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CCCH)(CIrC)(COO)	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CCCH)(CIrC)(COO)	111.8330	1.129	4	111.8330	1.274	4	112.7273	3.117	183	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-4:C-3:C-3:	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CCCN)(CCH)(COO)	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CCCN)(CCH)(COO)	112.4980	0.000	1	112.4980	0.000	1	112.7273	3.117	183	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-4:C-3:C-3:	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CCHH)(CCC)(COO)	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CCHH)(CCC)(COO)	112.9390	0.000	1	112.9390	0.000	1	112.7273	3.117	183	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-4:C-3:C-3:	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CCHH)(CCH)(COO)	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CCHH)(CCH)(COO)	112.6033	1.203	6	112.6033	1.446	6	112.7273	3.117	183	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-4:C-3:C-3:	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CCHH)(CCN)(COO)	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CCHH)(CCN)(COO)	112.1150	0.246	2	112.1150	0.061	2	112.7273	3.117	183	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-4:C-3:C-3:	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CCHH)(CHH)(COO)	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CCHH)(CHH)(COO)	112.2080	0.000	1	112.2080	0.000	1	112.7273	3.117	183	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-4:C-3:C-3:	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CCHH)(CIrC)(COO)	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CCHH)(CIrC)(COO)	113.8430	0.017	2	113.8430	0.000	2	112.7273	3.117	183	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-4:C-3:C-3:	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CCHH)(CNN)(COO)	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CCHH)(CNN)(COO)	112.9690	0.000	1	112.9690	0.000	1	112.7273	3.117	183	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-4:C-3:C-3:	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CC[5]CH)(CHN)(COO)	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CC[5]CH)(CHN)(COO)	113.7900	0.000	1	113.7900	0.000	1	112.7273	3.117	183	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-4:C-3:C-3:	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CC[5]HH)(CC[6a]H)(COO)	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CC[5]HH)(CC[6a]H)(COO)	113.1404	1.169	10	113.1404	1.366	10	112.7273	3.117	183	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-4:C-3:C-3:	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CC[5]HH)(CHH)(COO)	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CC[5]HH)(CHH)(COO)	113.6490	0.000	1	113.6490	0.000	1	112.7273	3.117	183	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-4:C-3:C-3:	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CC[5a]C[6a]H)(CCH)(COO)	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CC[5a]C[6a]H)(CCH)(COO)	112.5795	1.225	2	112.5795	1.502	2	112.7273	3.117	183	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-4:C-3:C-3:	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CC[5a]HH)(CCN)(COO)	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CC[5a]HH)(CCN)(COO)	113.8855	0.429	2	113.8855	0.184	2	112.7273	3.117	183	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-4:C-3:C-3:	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CC[5a]HH)(CC[6a]H)(COO)	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CC[5a]HH)(CC[6a]H)(COO)	113.4970	0.000	1	113.4970	0.000	1	112.7273	3.117	183	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-4:C-3:C-3:	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CC[6]HH)(CC[6a]H)(COO)	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CC[6]HH)(CC[6a]H)(COO)	113.0424	0.924	8	113.0424	0.853	8	112.7273	3.117	183	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-4:C-3:C-3:	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CC[6]HH)(CHH)(COO)	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CC[6]HH)(CHH)(COO)	112.9770	0.165	2	112.9770	0.027	2	112.7273	3.117	183	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-4:C-3:C-3:	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CC[6a]CC)(CIrC)(COO)	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CC[6a]CC)(CIrC)(COO)	111.4260	0.000	1	111.4260	0.000	1	112.7273	3.117	183	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-4:C-3:C-3:	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CC[6a]CH)(CHH)(COO)	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CC[6a]CH)(CHH)(COO)	112.6606	0.677	9	112.6606	0.459	9	112.7273	3.117	183	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-4:C-3:C-3:	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CC[6a]C[5]H)(CCH)(COO)	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CC[6a]C[5]H)(CCH)(COO)	113.2330	0.443	2	113.2330	0.196	2	112.7273	3.117	183	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-4:C-3:C-3:	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CC[6a]C[5]H)(CHH)(COO)	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CC[6a]C[5]H)(CHH)(COO)	112.8523	0.771	6	112.8523	0.594	6	112.7273	3.117	183	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-4:C-3:C-3:	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CC[6a]C[6]H)(CHH)(COO)	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CC[6a]C[6]H)(CHH)(COO)	112.9830	0.132	2	112.9830	0.017	2	112.7273	3.117	183	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-4:C-3:C-3:	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CC[6a]HH)(CC[6a]H)(COO)	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CC[6a]HH)(CC[6a]H)(COO)	112.8360	1.399	2	112.8360	1.956	2	112.7273	3.117	183	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-4:C-3:C-3:	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CC[6a]HH)(CHH)(COO)	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CC[6a]HH)(CHH)(COO)	113.6120	0.000	1	113.6120	0.000	1	112.7273	3.117	183	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-4:C-3:C-3:	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CC[6a]HO)(CC[5]C)(COO)	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CC[6a]HO)(CC[5]C)(COO)	110.8220	0.000	1	110.8220	0.000	1	112.7273	3.117	183	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-4:C-3:C-3:	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CC[6a]HO)(CHH)(COO)	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CC[6a]HO)(CHH)(COO)	113.2250	0.833	6	113.2250	0.694	6	112.7273	3.117	183	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-4:C-3:C-3:	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CC[6a]HP)(CC[6a]O)(COO)	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CC[6a]HP)(CC[6a]O)(COO)	114.5137	1.451	3	114.5137	2.104	3	112.7273	3.117	183	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-4:C-3:C-3:	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CC[6a]HP)(CHH)(COO)	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CC[6a]HP)(CHH)(COO)	111.2510	0.000	1	111.2510	0.000	1	112.7273	3.117	183	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-4:C-3:C-3:	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CC[6a]HP)(COO)2	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CC[6a]HP)(COO)2	115.7050	0.000	1	115.7050	0.000	1	112.7273	3.117	183	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-4:C-3:C-3:	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CF3)(CHN)(COO)	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CF3)(CHN)(COO)	112.9060	0.000	1	112.9060	0.000	1	112.7273	3.117	183	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-4:C-3:C-3:	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CH3)(CCH)(COO)	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CH3)(CCH)(COO)	114.2130	0.000	1	114.2130	0.000	1	112.7273	3.117	183	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-4:C-3:C-3:	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CH3)(CHO)(COO)	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CH3)(CHO)(COO)	112.6460	2.407	2	112.6460	5.794	2	112.7273	3.117	183	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-4:C-3:C-3:	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CHHO)(CHH)(COO)	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CHHO)(CHH)(COO)	113.6975	0.022	2	113.6975	0.000	2	112.7273	3.117	183	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-4:C-3:C-3:	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CIrCC)(CCC)(COO)	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CIrCC)(CCC)(COO)	112.1110	0.000	1	112.1110	0.000	1	112.7273	3.117	183	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-4:C-3:C-3:	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CIrCC)(CCH)(COO)	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CIrCC)(CCH)(COO)	112.7050	0.000	1	112.7050	0.000	1	112.7273	3.117	183	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-4:C-3:C-3:	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CIrCH)(CCC)(COO)	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CIrCH)(CCC)(COO)	110.8350	0.000	1	110.8350	0.000	1	112.7273	3.117	183	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-4:C-3:C-3:	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CIrHH)(CCC)(COO)	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CIrHH)(CCC)(COO)	112.9970	0.000	1	112.9970	0.000	1	112.7273	3.117	183	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-4:C-3:C-3:	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CN[5]HH)(CC[6a]H)(COO)	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CN[5]HH)(CC[6a]H)(COO)	113.1008	0.947	4	113.1008	0.897	4	112.7273	3.117	183	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-4:C-3:C-3:	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CN[5a]HH)(CC[6a]H)(COO)	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CN[5a]HH)(CC[6a]H)(COO)	112.1410	0.356	2	112.1410	0.127	2	112.7273	3.117	183	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-4:C-3:C-3:	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CPdCI)(CCC)(COO)	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CPdCI)(CCC)(COO)	111.8470	0.000	1	111.8470	0.000	1	112.7273	3.117	183	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-4:C-3:C-3:	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CPdCP)(CCC)(COO)	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CPdCP)(CCC)(COO)	112.5360	0.062	2	112.5360	0.004	2	112.7273	3.117	183	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-4:C-3:N-3:	C(CCN)(OC)(O)	O(CC3)(CCO)	C(CC3)(COO)(NCH)	C(CCN)(OC)(O)	O(CC3)(CCO)	C(CC3)(COO)(NCH)	110.6760	0.000	1	110.6760	0.000	1	110.5736	1.223	7	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-4:C-3:N-3:	C(CCN)(OC)(O)	O(CH3)(CCO)	C(CCHH)(COO)(NCO)	C(CCN)(OC)(O)	O(CH3)(CCO)	C(CCHH)(COO)(NCO)	110.3592	1.241	5	110.3592	1.540	5	110.5736	1.223	7	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C-4:C-3:N-3:	C(CCN)(OC)(O)	O(CH3)(CCO)	C(CH3)(COO)(NCH)	C(CCN)(OC)(O)	O(CH3)(CCO)	C(CH3)(COO)(NCH)	111.5430	0.000	1	111.5430	0.000	1	110.5736	1.223	7	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[3]-4:C-3:C-3:	C(CC[3]C)(OC)(O)	O(CCHH)(CCO)	C(C[3]C[3]2H)(CCH)(COO)	C(CC[3]C)(OC)(O)	O(CCHH)(CCO)	C(C[3]C[3]2H)(CCH)(COO)	111.4630	1.486	2	111.4630	2.209	2	111.4630	2.209	2	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[5,6]-4:C[5]-3:C-3:	C(CC[5,6]C[5])(OC)(O)	O(CH3)(CCO)	C(C[5,6]C[5,6]C[5]C[6])(C[5]C[5]O[5])(COO)	C(CC[5,6]C[5])(OC)(O)	O(CH3)(CCO)	C(C[5,6]C[5,6]C[5]C[6])(C[5]C[5]O[5])(COO)	112.5100	0.000	1	112.5100	0.000	1	112.5100	0.000	1	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[5]-4:C-3:C-3:	C(CC[5]C)(OC)(O)	O(CC3)(CCO)	C(C[5]C[5,5]N[5]H)(CHH)(COO)	C(CC[5]C)(OC)(O)	O(CC3)(CCO)	C(C[5]C[5,5]N[5]H)(CHH)(COO)	111.8500	0.000	1	111.8500	0.000	1	112.3174	1.734	43	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[5]-4:C-3:C-3:	C(CC[5]C)(OC)(O)	O(CC3)(CCO)	C(C[5]C[5]N[5]H)(CHH)(COO)	C(CC[5]C)(OC)(O)	O(CC3)(CCO)	C(C[5]C[5]N[5]H)(CHH)(COO)	112.2140	0.000	1	112.2140	0.000	1	112.3174	1.734	43	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[5]-4:C-3:C-3:	C(CC[5]C)(OC)(O)	O(CC3)(CCO)	C(C[5]C[5]O[5]H)(CHH)(COO)	C(CC[5]C)(OC)(O)	O(CC3)(CCO)	C(C[5]C[5]O[5]H)(CHH)(COO)	111.4600	0.165	2	111.4600	0.027	2	112.3174	1.734	43	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[5]-4:C-3:C-3:	C(CC[5]C)(OC)(O)	O(CCHH)(CCO)	C(C[5]C[5,5]C[6a]O[5])(CHH)(COO)	C(CC[5]C)(OC)(O)	O(CCHH)(CCO)	C(C[5]C[5,5]C[6a]O[5])(CHH)(COO)	111.2970	0.000	1	111.2970	0.000	1	112.3174	1.734	43	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[5]-4:C-3:C-3:	C(CC[5]C)(OC)(O)	O(CCHH)(CCO)	C(C[5]C[5,5]N[5]H)(CHH)(COO)	C(CC[5]C)(OC)(O)	O(CCHH)(CCO)	C(C[5]C[5,5]N[5]H)(CHH)(COO)	113.2180	0.000	1	113.2180	0.000	1	112.3174	1.734	43	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[5]-4:C-3:C-3:	C(CC[5]C)(OC)(O)	O(CCHH)(CCO)	C(C[5]C[5,6a]C[5]2)(CHH)(COO)	C(CC[5]C)(OC)(O)	O(CCHH)(CCO)	C(C[5]C[5,6a]C[5]2)(CHH)(COO)	111.5723	0.750	3	111.5723	0.563	3	112.3174	1.734	43	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[5]-4:C-3:C-3:	C(CC[5]C)(OC)(O)	O(CCHH)(CCO)	C(C[5]C[5]2H)(CHH)(COO)	C(CC[5]C)(OC)(O)	O(CCHH)(CCO)	C(C[5]C[5]2H)(CHH)(COO)	113.4560	0.000	1	113.4560	0.000	1	112.3174	1.734	43	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[5]-4:C-3:C-3:	C(CC[5]C)(OC)(O)	O(CCHH)(CCO)	C(C[5]C[5]N[5]H)(CCO)(COO)	C(CC[5]C)(OC)(O)	O(CCHH)(CCO)	C(C[5]C[5]N[5]H)(CCO)(COO)	112.1055	2.637	4	112.1055	6.956	4	112.3174	1.734	43	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[5]-4:C-3:C-3:	C(CC[5]C)(OC)(O)	O(CCHH)(CCO)	C(C[5]C[5]N[5]H)(CCS)(COO)	C(CC[5]C)(OC)(O)	O(CCHH)(CCO)	C(C[5]C[5]N[5]H)(CCS)(COO)	113.9100	0.000	1	113.9100	0.000	1	112.3174	1.734	43	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[5]-4:C-3:C-3:	C(CC[5]C)(OC)(O)	O(CCHH)(CCO)	C(C[5]C[5]N[5]H)(CC[6a]H)(COO)	C(CC[5]C)(OC)(O)	O(CCHH)(CCO)	C(C[5]C[5]N[5]H)(CC[6a]H)(COO)	111.2105	0.385	2	111.2105	0.149	2	112.3174	1.734	43	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[5]-4:C-3:C-3:	C(CC[5]C)(OC)(O)	O(CCHH)(CCO)	C(C[5]C[5]N[5]H)(CC[6a]O)(COO)	C(CC[5]C)(OC)(O)	O(CCHH)(CCO)	C(C[5]C[5]N[5]H)(CC[6a]O)(COO)	109.5880	0.000	1	109.5880	0.000	1	112.3174	1.734	43	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[5]-4:C-3:C-3:	C(CC[5]C)(OC)(O)	O(CCHH)(CCO)	C(C[5]C[5]N[5]H)(CHH)(COO)	C(CC[5]C)(OC)(O)	O(CCHH)(CCO)	C(C[5]C[5]N[5]H)(CHH)(COO)	113.4500	0.250	2	113.4500	0.063	2	112.3174	1.734	43	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[5]-4:C-3:C-3:	C(CC[5]C)(OC)(O)	O(CCHH)(CCO)	C(C[5]C[5]O[5]H)(CHH)(COO)	C(CC[5]C)(OC)(O)	O(CCHH)(CCO)	C(C[5]C[5]O[5]H)(CHH)(COO)	113.0770	0.000	1	113.0770	0.000	1	112.3174	1.734	43	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[5]-4:C-3:C-3:	C(CC[5]C)(OC)(O)	O(CCHH)(CCO)	C(C[5]C[5]S[5]C)(CCH)(COO)	C(CC[5]C)(OC)(O)	O(CCHH)(CCO)	C(C[5]C[5]S[5]C)(CCH)(COO)	112.6300	0.000	1	112.6300	0.000	1	112.3174	1.734	43	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[5]-4:C-3:C-3:	C(CC[5]C)(OC)(O)	O(CCHH)(CCO)	C(C[5]C[6a]C[5]2)(CHH)(COO)	C(CC[5]C)(OC)(O)	O(CCHH)(CCO)	C(C[5]C[6a]C[5]2)(CHH)(COO)	112.2980	0.000	1	112.2980	0.000	1	112.3174	1.734	43	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[5]-4:C-3:C-3:	C(CC[5]C)(OC)(O)	O(CCHH)(CCO)	C(C[5]C[6a]C[5]O[5])(CHH)(COO)	C(CC[5]C)(OC)(O)	O(CCHH)(CCO)	C(C[5]C[6a]C[5]O[5])(CHH)(COO)	114.1870	0.000	1	114.1870	0.000	1	112.3174	1.734	43	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[5]-4:C-3:C-3:	C(CC[5]C)(OC)(O)	O(CC[6a]HH)(CCO)	C(C[5]C[5,6a]C[5]N)(CHH)(COO)	C(CC[5]C)(OC)(O)	O(CC[6a]HH)(CCO)	C(C[5]C[5,6a]C[5]N)(CHH)(COO)	112.4020	0.000	1	112.4020	0.000	1	112.3174	1.734	43	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[5]-4:C-3:C-3:	C(CC[5]C)(OC)(O)	O(CH3)(CCO)	C(C[5]C[5,5]C[5]H)(CCC)(COO)	C(CC[5]C)(OC)(O)	O(CH3)(CCO)	C(C[5]C[5,5]C[5]H)(CCC)(COO)	111.8180	0.000	1	111.8180	0.000	1	112.3174	1.734	43	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[5]-4:C-3:C-3:	C(CC[5]C)(OC)(O)	O(CH3)(CCO)	C(C[5]C[5,5]C[5]H)(CHH)(COO)	C(CC[5]C)(OC)(O)	O(CH3)(CCO)	C(C[5]C[5,5]C[5]H)(CHH)(COO)	113.2970	0.000	1	113.2970	0.000	1	112.3174	1.734	43	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[5]-4:C-3:C-3:	C(CC[5]C)(OC)(O)	O(CH3)(CCO)	C(C[5]C[5,6a]2C)(CN[6]C)(COO)	C(CC[5]C)(OC)(O)	O(CH3)(CCO)	C(C[5]C[5,6a]2C)(CN[6]C)(COO)	110.1580	0.000	1	110.1580	0.000	1	112.3174	1.734	43	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[5]-4:C-3:C-3:	C(CC[5]C)(OC)(O)	O(CH3)(CCO)	C(C[5]C[5,6a]C[5]2)(CHH)(COO)	C(CC[5]C)(OC)(O)	O(CH3)(CCO)	C(C[5]C[5,6a]C[5]2)(CHH)(COO)	113.2290	0.000	1	113.2290	0.000	1	112.3174	1.734	43	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[5]-4:C-3:C-3:	C(CC[5]C)(OC)(O)	O(CH3)(CCO)	C(C[5]C[5,6a]C[5]C)(CHH)(COO)	C(CC[5]C)(OC)(O)	O(CH3)(CCO)	C(C[5]C[5,6a]C[5]C)(CHH)(COO)	112.1810	0.000	1	112.1810	0.000	1	112.3174	1.734	43	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[5]-4:C-3:C-3:	C(CC[5]C)(OC)(O)	O(CH3)(CCO)	C(C[5]C[5,6a]C[5]C)(CHN)(COO)	C(CC[5]C)(OC)(O)	O(CH3)(CCO)	C(C[5]C[5,6a]C[5]C)(CHN)(COO)	114.2580	0.000	1	114.2580	0.000	1	112.3174	1.734	43	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[5]-4:C-3:C-3:	C(CC[5]C)(OC)(O)	O(CH3)(CCO)	C(C[5]C[5,6a]C[5]C[6])(CHH)(COO)	C(CC[5]C)(OC)(O)	O(CH3)(CCO)	C(C[5]C[5,6a]C[5]C[6])(CHH)(COO)	113.6410	0.000	1	113.6410	0.000	1	112.3174	1.734	43	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[5]-4:C-3:C-3:	C(CC[5]C)(OC)(O)	O(CH3)(CCO)	C(C[5]C[5,6a]C[5]H)(CC[5]H)(COO)	C(CC[5]C)(OC)(O)	O(CH3)(CCO)	C(C[5]C[5,6a]C[5]H)(CC[5]H)(COO)	112.5967	0.089	3	112.5967	0.008	3	112.3174	1.734	43	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[5]-4:C-3:C-3:	C(CC[5]C)(OC)(O)	O(CH3)(CCO)	C(C[5]C[5,6a]N[5]H)(CHH)(COO)	C(CC[5]C)(OC)(O)	O(CH3)(CCO)	C(C[5]C[5,6a]N[5]H)(CHH)(COO)	113.4590	0.000	1	113.4590	0.000	1	112.3174	1.734	43	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[5]-4:C-3:C-3:	C(CC[5]C)(OC)(O)	O(CH3)(CCO)	C(C[5]C[5]2Fe)(CC[5]C)(COO)	C(CC[5]C)(OC)(O)	O(CH3)(CCO)	C(C[5]C[5]2Fe)(CC[5]C)(COO)	110.7635	0.993	2	110.7635	0.987	2	112.3174	1.734	43	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[5]-4:C-3:C-3:	C(CC[5]C)(OC)(O)	O(CH3)(CCO)	C(C[5]C[5]2O)(CHH)(COO)	C(CC[5]C)(OC)(O)	O(CH3)(CCO)	C(C[5]C[5]2O)(CHH)(COO)	113.3290	0.000	1	113.3290	0.000	1	112.3174	1.734	43	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[5]-4:C-3:C-3:	C(CC[5]C)(OC)(O)	O(CH3)(CCO)	C(C[5]C[5]N[5]C)(CPdC)(COO)	C(CC[5]C)(OC)(O)	O(CH3)(CCO)	C(C[5]C[5]N[5]C)(CPdC)(COO)	113.3940	0.000	1	113.3940	0.000	1	112.3174	1.734	43	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[5]-4:C-3:C-3:	C(CC[5]C)(OC)(O)	O(CH3)(CCO)	C(C[5]C[5]N[5]H)(CC[6a]2)(COO)	C(CC[5]C)(OC)(O)	O(CH3)(CCO)	C(C[5]C[5]N[5]H)(CC[6a]2)(COO)	112.4430	0.000	1	112.4430	0.000	1	112.3174	1.734	43	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[5]-4:C-3:C-3:	C(CC[5]C)(OC)(O)	O(CH3)(CCO)	C(C[5]C[5]O[5]O)(CHH)(COO)	C(CC[5]C)(OC)(O)	O(CH3)(CCO)	C(C[5]C[5]O[5]O)(CHH)(COO)	110.7100	0.000	1	110.7100	0.000	1	112.3174	1.734	43	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[5]-4:C-3:C-3:	C(CC[5]C)(OC)(O)	O(CH3)(CCO)	C(C[5]N[5,5]C[5]H)(CHH)(COO)	C(CC[5]C)(OC)(O)	O(CH3)(CCO)	C(C[5]N[5,5]C[5]H)(CHH)(COO)	112.9070	0.000	1	112.9070	0.000	1	112.3174	1.734	43	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[5]-4:C[5]-3:C-3:	C(CC[5]2)(OC)(O)	O(CH3)(CCO)	C(C[5]C[5,6a]C[5]C)(C[5]N[5]S[5])(COO)	C(CC[5]2)(OC)(O)	O(CH3)(CCO)	C(C[5]C[5,6a]C[5]C)(C[5]N[5]S[5])(COO)	112.9130	0.000	1	112.9130	0.000	1	112.9130	0.000	1	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[6]-4:C-3:C-3:	C(CC[6]C)(OC)(O)	O(CCHH)(CCO)	C(C[6]C[6,6a]C[6]H)(CCH)(COO)	C(CC[6]C)(OC)(O)	O(CCHH)(CCO)	C(C[6]C[6,6a]C[6]H)(CCH)(COO)	110.7990	0.000	1	110.7990	0.000	1	111.9711	0.832	16	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[6]-4:C-3:C-3:	C(CC[6]C)(OC)(O)	O(CH3)(CCO)	C(C[6]C[5a,6]C[6,6a]H)(CHH)(COO)	C(CC[6]C)(OC)(O)	O(CH3)(CCO)	C(C[6]C[5a,6]C[6,6a]H)(CHH)(COO)	112.6040	0.000	1	112.6040	0.000	1	111.9711	0.832	16	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[6]-4:C-3:C-3:	C(CC[6]C)(OC)(O)	O(CH3)(CCO)	C(C[6]C[6,6a]C[6]H)(CCH)(COO)	C(CC[6]C)(OC)(O)	O(CH3)(CCO)	C(C[6]C[6,6a]C[6]H)(CCH)(COO)	112.4600	0.000	1	112.4600	0.000	1	111.9711	0.832	16	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[6]-4:C-3:C-3:	C(CC[6]C)(OC)(O)	O(CH3)(CCO)	C(C[6]C[6]2C)(CIrC)(COO)	C(CC[6]C)(OC)(O)	O(CH3)(CCO)	C(C[6]C[6]2C)(CIrC)(COO)	110.7645	0.422	4	110.7645	0.178	4	111.9711	0.832	16	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[6]-4:C-3:C-3:	C(CC[6]C)(OC)(O)	O(CH3)(CCO)	C(C[6]C[6]2H)(CCH)(COO)	C(CC[6]C)(OC)(O)	O(CH3)(CCO)	C(C[6]C[6]2H)(CCH)(COO)	112.3180	0.000	1	112.3180	0.000	1	111.9711	0.832	16	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[6]-4:C-3:C-3:	C(CC[6]C)(OC)(O)	O(CH3)(CCO)	C(C[6]C[6]2H)(CHH)(COO)	C(CC[6]C)(OC)(O)	O(CH3)(CCO)	C(C[6]C[6]2H)(CHH)(COO)	112.8317	0.277	3	112.8317	0.077	3	111.9711	0.832	16	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[6]-4:C-3:C-3:	C(CC[6]C)(OC)(O)	O(CH3)(CCO)	C(C[6]C[6]2H)(CHO)(COO)	C(CC[6]C)(OC)(O)	O(CH3)(CCO)	C(C[6]C[6]2H)(CHO)(COO)	112.8580	0.000	1	112.8580	0.000	1	111.9711	0.832	16	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[6]-4:C-3:C-3:	C(CC[6]C)(OC)(O)	O(CH3)(CCO)	C(C[6]C[6]O[6]H)(CC[6a]C)(COO)	C(CC[6]C)(OC)(O)	O(CH3)(CCO)	C(C[6]C[6]O[6]H)(CC[6a]C)(COO)	111.7650	0.000	1	111.7650	0.000	1	111.9711	0.832	16	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[6]-4:C-3:C-3:	C(CC[6]C)(OC)(O)	O(CH3)(CCO)	C(C[6]C[6]O[6]H)(CHH)(COO)	C(CC[6]C)(OC)(O)	O(CH3)(CCO)	C(C[6]C[6]O[6]H)(CHH)(COO)	112.3937	0.351	3	112.3937	0.123	3	111.9711	0.832	16	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	Ge-4:C-3:C-3:	C(CGeC)(OC)(O)	O(CH3)(CCO)	C(GeC3)(CCP)(COO)	C(CGeC)(OC)(O)	O(CH3)(CCO)	C(GeC3)(CCP)(COO)	111.6580	0.000	1	111.6580	0.000	1	111.6580	0.000	1	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	N-4:C-3:C-3:	C(CCN)(OC)(O)	O(CH3)(CCO)	C(NReHH)(CCO)(COO)	C(CCN)(OC)(O)	O(CH3)(CCO)	C(NReHH)(CCO)(COO)	110.9380	0.000	1	110.9380	0.000	1	110.9380	0.000	1	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	N[5]-4:C-3:C-3:	C(CN[5]C)(OC)(O)	O(CCHH)(CCO)	C(N[5]C[5]2O)(CCH)(COO)	C(CN[5]C)(OC)(O)	O(CCHH)(CCO)	C(N[5]C[5]2O)(CCH)(COO)	109.8020	0.597	2	109.8020	0.356	2	109.8020	0.356	2	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	P-4:C-3:C-3:	C(CCP)(OC)(O)	O(CC3)(CCO)	C(PC[6a]3)(CCO)(COO)	C(CCP)(OC)(O)	O(CC3)(CCO)	C(PC[6a]3)(CCO)(COO)	111.9320	0.000	1	111.9320	0.000	1	111.6088	2.314	43	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	P-4:C-3:C-3:	C(CCP)(OC)(O)	O(CC3)(CCO)	C(PC[6a]3)(COO)2	C(CCP)(OC)(O)	O(CC3)(CCO)	C(PC[6a]3)(COO)2	110.3730	0.000	1	110.3730	0.000	1	111.6088	2.314	43	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	P-4:C-3:C-3:	C(CCP)(OC)(O)	O(CCCH)(CCO)	C(PO3)(CNO)(COO)	C(CCP)(OC)(O)	O(CCCH)(CCO)	C(PO3)(CNO)(COO)	110.4462	0.527	4	110.4462	0.277	4	111.6088	2.314	43	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	P-4:C-3:C-3:	C(CCP)(OC)(O)	O(CCHH)(CCO)	C(PC[6a]3)(CCO)(COO)	C(CCP)(OC)(O)	O(CCHH)(CCO)	C(PC[6a]3)(CCO)(COO)	112.0970	0.000	1	112.0970	0.000	1	111.6088	2.314	43	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	P-4:C-3:C-3:	C(CCP)(OC)(O)	O(CCHH)(CCO)	C(PC[6a]3)(CC[5]O)(COO)	C(CCP)(OC)(O)	O(CCHH)(CCO)	C(PC[6a]3)(CC[5]O)(COO)	112.6075	0.975	2	112.6075	0.951	2	111.6088	2.314	43	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	P-4:C-3:C-3:	C(CCP)(OC)(O)	O(CCHH)(CCO)	C(PC[6a]3)(CNO)(COO)	C(CCP)(OC)(O)	O(CCHH)(CCO)	C(PC[6a]3)(CNO)(COO)	114.2750	0.000	1	114.2750	0.000	1	111.6088	2.314	43	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	P-4:C-3:C-3:	C(CCP)(OC)(O)	O(CCHH)(CCO)	C(PC[6a]3)(COO)2	C(CCP)(OC)(O)	O(CCHH)(CCO)	C(PC[6a]3)(COO)2	111.9595	1.354	2	111.9595	1.834	2	111.6088	2.314	43	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	P-4:C-3:C-3:	C(CCP)(OC)(O)	O(CCHH)(CCO)	C(PO3)(CCC)(COO)	C(CCP)(OC)(O)	O(CCHH)(CCO)	C(PO3)(CCC)(COO)	109.3740	0.000	1	109.3740	0.000	1	111.6088	2.314	43	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	P-4:C-3:C-3:	C(CCP)(OC)(O)	O(CC[6a]HH)(CCO)	C(PC[6a]3)(CCO)(COO)	C(CCP)(OC)(O)	O(CC[6a]HH)(CCO)	C(PC[6a]3)(CCO)(COO)	113.8260	0.000	1	113.8260	0.000	1	111.6088	2.314	43	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	P-4:C-3:C-3:	C(CCP)(OC)(O)	O(CH3)(CCO)	C(PC[5]Mo2)(CMoC)(COO)	C(CCP)(OC)(O)	O(CH3)(CCO)	C(PC[5]Mo2)(CMoC)(COO)	111.5360	0.000	1	111.5360	0.000	1	111.6088	2.314	43	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	P-4:C-3:C-3:	C(CCP)(OC)(O)	O(CH3)(CCO)	C(PC[6]2Pt)(CCP)(COO)	C(CCP)(OC)(O)	O(CH3)(CCO)	C(PC[6]2Pt)(CCP)(COO)	110.8583	0.638	3	110.8583	0.407	3	111.6088	2.314	43	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	P-4:C-3:C-3:	C(CCP)(OC)(O)	O(CH3)(CCO)	C(PC[6]2Pt)(CP[6,6]C)(COO)	C(CCP)(OC)(O)	O(CH3)(CCO)	C(PC[6]2Pt)(CP[6,6]C)(COO)	110.8840	0.000	1	110.8840	0.000	1	111.6088	2.314	43	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	P-4:C-3:C-3:	C(CCP)(OC)(O)	O(CH3)(CCO)	C(PC[6a]2Ir)(CCC)(COO)	C(CCP)(OC)(O)	O(CH3)(CCO)	C(PC[6a]2Ir)(CCC)(COO)	112.5180	0.000	1	112.5180	0.000	1	111.6088	2.314	43	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	P-4:C-3:C-3:	C(CCP)(OC)(O)	O(CH3)(CCO)	C(PC[6a]2Mo)(CCH)(COO)	C(CCP)(OC)(O)	O(CH3)(CCO)	C(PC[6a]2Mo)(CCH)(COO)	110.1560	0.000	1	110.1560	0.000	1	111.6088	2.314	43	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	P-4:C-3:C-3:	C(CCP)(OC)(O)	O(CH3)(CCO)	C(PC[6a]2N)(CGeC)(COO)	C(CCP)(OC)(O)	O(CH3)(CCO)	C(PC[6a]2N)(CGeC)(COO)	111.6110	0.000	1	111.6110	0.000	1	111.6088	2.314	43	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	P-4:C-3:C-3:	C(CCP)(OC)(O)	O(CH3)(CCO)	C(PC[6a]2N)(CSiC)(COO)	C(CCP)(OC)(O)	O(CH3)(CCO)	C(PC[6a]2N)(CSiC)(COO)	110.7845	0.590	2	110.7845	0.349	2	111.6088	2.314	43	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	P-4:C-3:C-3:	C(CCP)(OC)(O)	O(CH3)(CCO)	C(PC[6a]2N)(CSnC)(COO)	C(CCP)(OC)(O)	O(CH3)(CCO)	C(PC[6a]2N)(CSnC)(COO)	112.8220	0.106	2	112.8220	0.011	2	111.6088	2.314	43	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	P-4:C-3:C-3:	C(CCP)(OC)(O)	O(CH3)(CCO)	C(PC[6a]2Pd)(CCP)(COO)	C(CCP)(OC)(O)	O(CH3)(CCO)	C(PC[6a]2Pd)(CCP)(COO)	110.2120	0.000	1	110.2120	0.000	1	111.6088	2.314	43	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	P-4:C-3:C-3:	C(CCP)(OC)(O)	O(CH3)(CCO)	C(PC[6a]2Pt)(CCP)(COO)	C(CCP)(OC)(O)	O(CH3)(CCO)	C(PC[6a]2Pt)(CCP)(COO)	111.5120	1.649	2	111.5120	2.719	2	111.6088	2.314	43	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	P-4:C-3:C-3:	C(CCP)(OC)(O)	O(CH3)(CCO)	C(PC[6a]3)(CCC)(COO)	C(CCP)(OC)(O)	O(CH3)(CCO)	C(PC[6a]3)(CCC)(COO)	112.0060	0.000	1	112.0060	0.000	1	111.6088	2.314	43	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	P-4:C-3:C-3:	C(CCP)(OC)(O)	O(CH3)(CCO)	C(PC[6a]3)(CCN)(COO)	C(CCP)(OC)(O)	O(CH3)(CCO)	C(PC[6a]3)(CCN)(COO)	113.0575	2.449	2	113.0575	5.996	2	111.6088	2.314	43	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	P-4:C-3:C-3:	C(CCP)(OC)(O)	O(CH3)(CCO)	C(PC[6a]3)(CCO)(COO)	C(CCP)(OC)(O)	O(CH3)(CCO)	C(PC[6a]3)(CCO)(COO)	112.4780	0.000	1	112.4780	0.000	1	111.6088	2.314	43	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	P-4:C-3:C-3:	C(CCP)(OC)(O)	O(CH3)(CCO)	C(PC[6a]3)(COO)2	C(CCP)(OC)(O)	O(CH3)(CCO)	C(PC[6a]3)(COO)2	112.1989	2.318	7	112.1989	5.373	7	111.6088	2.314	43	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	P-4:C-3:C-3:	C(CCP)(OC)(O)	O(CH3)(CCO)	C(PO3)(CCC)(COO)	C(CCP)(OC)(O)	O(CH3)(CCO)	C(PO3)(CCC)(COO)	109.9270	0.000	1	109.9270	0.000	1	111.6088	2.314	43	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	P-4:C-3:C-3:	C(CCP)(OC)(O)	O(CH3)(CCO)	C(PPdCC)(CCP)(COO)	C(CCP)(OC)(O)	O(CH3)(CCO)	C(PPdCC)(CCP)(COO)	110.2740	0.000	1	110.2740	0.000	1	111.6088	2.314	43	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	P-4:C-3:C-3:	C(CCP)(OC)(O)	O(CH3)(CCO)	C(PPtCC)(CCP)(COO)	C(CCP)(OC)(O)	O(CH3)(CCO)	C(PPtCC)(CCP)(COO)	110.4620	0.000	1	110.4620	0.000	1	111.6088	2.314	43	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	P[5]-4:C-3:C-3:	C(CP[5]C)(OC)(O)	O(CH3)(CCO)	C(P[5]C[6a]C[5]2)(CCO)(COO)	C(CP[5]C)(OC)(O)	O(CH3)(CCO)	C(P[5]C[6a]C[5]2)(CCO)(COO)	110.9370	0.000	1	110.9370	0.000	1	110.9370	0.000	1	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	P[6,6]-4:C-3:C-3:	C(CP[6,6]C)(OC)(O)	O(CH3)(CCO)	C(P[6,6]C[3x6]2Pt)(CCP)(COO)	C(CP[6,6]C)(OC)(O)	O(CH3)(CCO)	C(P[6,6]C[3x6]2Pt)(CCP)(COO)	109.1780	0.000	1	109.1780	0.000	1	109.1780	0.000	1	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	S-4:C-3:C-3:	C(CCS)(OC)(O)	O(CCHH)(CCO)	C(SC[6a]OO)(CCH)(COO)	C(CCS)(OC)(O)	O(CCHH)(CCO)	C(SC[6a]OO)(CCH)(COO)	112.4630	0.516	2	112.4630	0.266	2	112.1869	2.528	8	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	S-4:C-3:C-3:	C(CCS)(OC)(O)	O(CCHH)(CCO)	C(SC[6a]OO)(CC[6a]Se)(COO)	C(CCS)(OC)(O)	O(CCHH)(CCO)	C(SC[6a]OO)(CC[6a]Se)(COO)	110.9290	0.000	2	110.9290	0.000	2	112.1869	2.528	8	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	S-4:C-3:C-3:	C(CCS)(OC)(O)	O(CH3)(CCO)	C(SCCO)(CNO)(COO)	C(CCS)(OC)(O)	O(CH3)(CCO)	C(SCCO)(CNO)(COO)	114.3925	0.858	2	114.3925	0.736	2	112.1869	2.528	8	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	S-4:C-3:C-3:	C(CCS)(OC)(O)	O(CH3)(CCO)	C(SCOO)(CCN)(COO)	C(CCS)(OC)(O)	O(CH3)(CCO)	C(SCOO)(CCN)(COO)	110.3920	0.000	1	110.3920	0.000	1	112.1869	2.528	8	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	S-4:C-3:C-3:	C(CCS)(OC)(O)	O(CH3)(CCO)	C(SC[6a]OO)(CClC)(COO)	C(CCS)(OC)(O)	O(CH3)(CCO)	C(SC[6a]OO)(CClC)(COO)	111.5340	0.000	1	111.5340	0.000	1	112.1869	2.528	8	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	Si-4:C-3:C-3:	C(CSiC)(OC)(O)	O(CH3)(CCO)	C(SiC3)(CCP)(COO)	C(CSiC)(OC)(O)	O(CH3)(CCO)	C(SiC3)(CCP)(COO)	111.0590	0.713	2	111.0590	0.508	2	111.1154	0.196	5	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	Si-4:C-3:C-3:	C(CSiC)(OC)(O)	O(CH3)(CCO)	C(SiC3)(CSiH)(COO)	C(CSiC)(OC)(O)	O(CH3)(CCO)	C(SiC3)(CSiH)(COO)	111.0400	0.000	1	111.0400	0.000	1	111.1154	0.196	5	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:3:3:	C-3:O-2:O-1:	C-4:C-3:	Si-4:C-3:C-3:	C(CSiC)(OC)(O)	O(CH3)(CCO)	C(SiC[6a]2Pt)(CSiC)(COO)	C(CSiC)(OC)(O)	O(CH3)(CCO)	C(SiC[6a]2Pt)(CSiC)(COO)	111.2095	0.496	2	111.2095	0.246	2	111.1154	0.196	5	112.4139	3.474	318	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:4:3:	C-3:O-2:H-1:	Si-4:C-3:	C-4:C-4:C-3:	C(CCC)(OSi)(H)	O(SiC[6a]2C)(CCH)	C(CHHN)2(CHO)	C(CCC)(OSi)(H)	O(SiC[6a]2C)(CCH)	C(CHHN)2(CHO)	122.2560	0.516	2	122.2560	0.266	2	122.2560	0.266	2	116.2860	32.071	5	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:4:3:	C-3:O-2:O-1:	C-4:C-3:	C-4:C-4:C-3:	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CC[6a]CO)(CH3)(COO)	C(CCC)(OC)(O)	O(CCHH)(CCO)	C(CC[6a]CO)(CH3)(COO)	109.9150	0.000	1	109.9150	0.000	1	111.9905	8.615	2	116.2860	32.071	5	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:4:3:	C-3:O-2:O-1:	C-4:C-3:	C-4:C-4:C-3:	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CCoCW)(CCCW)(COO)	C(CCC)(OC)(O)	O(CH3)(CCO)	C(CCoCW)(CCCW)(COO)	114.0660	0.000	1	114.0660	0.000	1	111.9905	8.615	2	116.2860	32.071	5	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	4:4:3:	C-3:O-2:O-1:	C-4:C-3:	P-4:C-4:C-3:	C(CCP)(OC)(O)	O(CCHH)(CCO)	C(PC[6a]3)(CCHH)(COO)	C(CCP)(OC)(O)	O(CCHH)(CCO)	C(PC[6a]3)(CCHH)(COO)	112.9370	0.000	1	112.9370	0.000	1	112.9370	0.000	1	116.2860	32.071	5	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	6:3:3:	C-3:O-2:O-1:	C-4:C-3:	B[5x3,3x5,11x6]-6:C-3:C-3:	C(CB[5x3,3x5,11x6]C)(OC)(O)	O(CH3)(CCO)	C(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]2B[5x3,5x5,5x6])(CCoC)(COO)	C(CB[5x3,3x5,11x6]C)(OC)(O)	O(CH3)(CCO)	C(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]2B[5x3,5x5,5x6])(CCoC)(COO)	111.3305	1.354	2	111.3305	1.834	2	111.3305	1.834	2	112.0147	0.622	11	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	6:3:3:	C-3:O-2:O-1:	C-4:C-3:	B[5x3,5x5,20x6]-6:C-3:C-3:	C(CB[5x3,5x5,20x6]C)(OC)(O)	O(CH3)(CCO)	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(CCH)(COO)	C(CB[5x3,5x5,20x6]C)(OC)(O)	O(CH3)(CCO)	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(CCH)(COO)	113.0310	0.000	1	113.0310	0.000	1	113.0310	0.000	1	112.0147	0.622	11	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	6:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[5x3,5x5,20x6]-6:C-3:C-3:	C(CC[5x3,5x5,20x6]C)(OC)(O)	O(CCHH)(CCO)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CC[5a]H)(COO)	C(CC[5x3,5x5,20x6]C)(OC)(O)	O(CCHH)(CCO)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CC[5a]H)(COO)	112.4145	0.515	2	112.4145	0.266	2	112.0588	0.343	8	112.0147	0.622	11	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	4:3:	6:3:3:	C-3:O-2:O-1:	C-4:C-3:	C[5x3,5x5,20x6]-6:C-3:C-3:	C(CC[5x3,5x5,20x6]C)(OC)(O)	O(CCHH)(CCO)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CC[6a]H)(COO)	C(CC[5x3,5x5,20x6]C)(OC)(O)	O(CCHH)(CCO)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CC[6a]H)(COO)	111.9402	0.599	6	111.9402	0.359	6	112.0588	0.343	8	112.0147	0.622	11	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:1:	6:3:	4:4:3:	C-3:O-2:H-1:	In-6:C-3:	C-4:C-4:C-3:	C(CCC)(OIn)(H)	O(InCl5)(CCH)	C(CH3)2(CHO)	C(CCC)(OIn)(H)	O(InCl5)(CCH)	C(CH3)2(CHO)	123.4740	0.000	1	123.4740	0.000	1	123.4740	0.000	1	123.4740	0.000	1	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:2:	2:3:	3:1:1:	C-3:N-2:O-2:	N-2:C-3:	C-3:H-1:H-1:	C(CHH)(NPt)(ON)	O(NC[6])(CCN)	C(CNO)(H)2	C(CHH)(NPt)(ON)	O(NC[6])(CCN)	C(CNO)(H)2	109.0110	0.000	1	109.0110	0.000	1	109.0110	0.000	1	109.0110	0.000	1	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:2:	3:1:	3:2:1:	C-3:O-2:O-2:	C-3:H-1:	C-3:O-2:O-1:	C(COO)(OBa)(OH)	O(CCO)(H)	C(COO)(OBa)(O)	C(COO)(OBa)(OH)	O(CCO)(H)	C(COO)(OBa)(O)	112.9850	0.000	1	112.9850	0.000	1	112.9850	0.000	1	112.9850	0.000	1	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:2:	3:1:	3:2:2:	C-3:N-2:O-2:	C-3:H-1:	C-3:C-2:C-2:	C(CCC)(NH)(OH)	O(CCN)(H)	C(CNO)(CN)2	C(CCC)(NH)(OH)	O(CCN)(H)	C(CNO)(CN)2	119.2220	0.000	1	119.2220	0.000	1	119.2220	0.000	1	119.2220	0.000	1	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:2:	3:1:	3:3:2:	C-3:N-2:O-2:	C-3:H-1:	C-3:C-3:C-2:	C(CCC)(NC)(OH)	O(CCN)(H)	C(CNO)(CNS)(CN)	C(CCC)(NC)(OH)	O(CCN)(H)	C(CNO)(CNS)(CN)	122.9840	0.000	1	122.9840	0.000	1	121.8690	2.486	2	121.8690	2.486	2	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:2:	3:1:	3:3:2:	C-3:N-2:O-2:	C-3:H-1:	C-3:C-3:C-2:	C(CCC)(NC)(OH)	O(CCN)(H)	C(CNO)2(CN)	C(CCC)(NC)(OH)	O(CCN)(H)	C(CNO)2(CN)	120.7540	0.000	1	120.7540	0.000	1	121.8690	2.486	2	121.8690	2.486	2	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:2:	3:3:	3:3:1:	C-3:O-2:C-2:	C[5]-3:C-3:	C[6a]-3:C-3:H-1:	C(CC[6a]H)(OC[5])(CC)	O(C[5]C[5]2)(CCC)	C(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]H)(OC[5])(CC)	O(C[5]C[5]2)(CCC)	C(C[6a]C[6a]2)(CCO)(H)	116.7650	0.000	1	116.7650	0.000	1	116.7650	0.000	1	123.0611	16.642	11	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:2:	3:3:	3:3:1:	C-3:O-2:C-2:	C[6]-3:C-3:	C[6a]-3:C-3:H-1:	C(CC[6a]H)(OC[6])(CC)	O(C[6]C[6]2)(CCC)	C(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]H)(OC[6])(CC)	O(C[6]C[6]2)(CCC)	C(C[6a]C[6a]2)(CCO)(H)	115.5350	0.000	1	115.5350	0.000	1	115.5350	0.000	1	123.0611	16.642	11	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:2:	3:3:	3:3:1:	C-3:O-2:O-2:	C-3:C-3:	C[6,6]-3:C-3:H-1:	C(CC[6,6]H)(OC)2	O(CC[6]O)(CCO)	C(C[6,6]C[4x6]C[6,6])(COO)(H)	C(CC[6,6]H)(OC)2	O(CC[6]O)(CCO)	C(C[6,6]C[4x6]C[6,6])(COO)(H)	125.3520	0.000	1	125.3520	0.000	1	125.3520	0.000	1	123.0611	16.642	11	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:2:	3:3:	3:3:1:	C-3:O-2:O-2:	C-3:C-3:	C[6]-3:C-3:H-1:	C(CC[6]H)(OC)2	O(CC[6]O)(CCO)	C(C[6]C[5,6,6]C[6])(COO)(H)	C(CC[6]H)(OC)2	O(CC[6]O)(CCO)	C(C[6]C[5,6,6]C[6])(COO)(H)	126.4970	0.409	2	126.4970	0.167	2	126.4970	0.167	2	123.0611	16.642	11	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:2:	3:3:	3:3:1:	C-3:O-2:O-2:	C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(CC[6a]H)(OC[6a])2	O(C[6a]C[6a]2)(CCO)	C(C[6a]C[6a]2)(COO)(H)	C(CC[6a]H)(OC[6a])2	O(C[6a]C[6a]2)(CCO)	C(C[6a]C[6a]2)(COO)(H)	123.8377	2.738	6	123.8377	7.498	6	123.8377	7.498	6	123.0611	16.642	11	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:2:	3:3:	3:4:3:	C-3:O-2:C-2:	C[6a]-3:C-3:	C[6a]-3:C-4:C-3:	C(CC[6a]C)(OC[6a])(CC)	O(C[6a]C[6a,6a]N[6a])(CCC)	C(C[6a]C[6a,6a]C[6a])(CCHH)(CCO)	C(CC[6a]C)(OC[6a])(CC)	O(C[6a]C[6a,6a]N[6a])(CCC)	C(C[6a]C[6a,6a]C[6a])(CCHH)(CCO)	119.5650	0.000	1	119.5650	0.000	1	121.0740	1.710	3	121.2866	2.216	5	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:2:	3:3:	3:4:3:	C-3:O-2:C-2:	C[6a]-3:C-3:	C[6a]-3:C-4:C-3:	C(CC[6a]C)(OC[6a])(CC)	O(C[6a]C[6a]2)(CCC)	C(C[6a]C[6a]2)(CH3)(CCO)	C(CC[6a]C)(OC[6a])(CC)	O(C[6a]C[6a]2)(CCC)	C(C[6a]C[6a]2)(CH3)(CCO)	121.8700	0.000	1	121.8700	0.000	1	121.0740	1.710	3	121.2866	2.216	5	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:2:	3:3:	3:4:3:	C-3:O-2:C-2:	C[6a]-3:C-3:	C[6a]-3:C-4:C-3:	C(CC[6a]C)(OC[6a])(CN)	O(C[6a]C[6a]2)(CCC)	C(C[6a]C[6a]2)(CH3)(CCO)	C(CC[6a]C)(OC[6a])(CN)	O(C[6a]C[6a]2)(CCC)	C(C[6a]C[6a]2)(CH3)(CCO)	121.7870	0.000	1	121.7870	0.000	1	121.0740	1.710	3	121.2866	2.216	5	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:2:	3:3:	3:4:3:	C-3:O-2:O-2:	B-3:C-3:	C[6a]-3:C-4:C-3:	C(CC[6a]C)(OB)(OC)	O(BC[6a]O)(CCO)	C(C[6a]C[6a]2)(CH3)(COO)	C(CC[6a]C)(OB)(OC)	O(BC[6a]O)(CCO)	C(C[6a]C[6a]2)(CH3)(COO)	121.6055	2.259	2	121.6055	5.104	2	121.6055	5.104	2	121.2866	2.216	5	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:2:	4:3:	3:1:1:	C-3:C-2:O-2:	B-4:C-3:	C-3:H-1:H-1:	C(CHH)(CC)(OB)	O(BC[6a]2C)(CCC)	C(CCO)(H)2	C(CHH)(CC)(OB)	O(BC[6a]2C)(CCC)	C(CCO)(H)2	124.1195	4.529	2	124.1195	20.512	2	124.1195	20.512	2	119.8753	64.295	3	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:2:	4:3:	3:1:1:	C-3:N-2:O-2:	C-4:C-3:	C-3:H-1:H-1:	C(CHH)(NPt)(OC)	O(CCHH)(CCN)	C(CNO)(H)2	C(CHH)(NPt)(OC)	O(CCHH)(CCN)	C(CNO)(H)2	111.3870	0.000	1	111.3870	0.000	1	111.3870	0.000	1	119.8753	64.295	3	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:2:	4:3:	3:2:1:	C-3:O-2:O-2:	B-4:C-3:	C-3:N-2:H-1:	C(CHN)(OB)(OC)	O(BC[6a]3)(CCO)	C(COO)(NN)(H)	C(CHN)(OB)(OC)	O(BC[6a]3)(CCO)	C(COO)(NN)(H)	125.4860	0.000	1	125.4860	0.000	1	125.4860	0.000	1	121.5990	30.218	2	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:2:	4:3:	3:2:1:	C-3:O-2:O-2:	C-4:C-3:	C-3:N-2:H-1:	C(CHN)(OB)(OC)	O(CCHH)(CCO)	C(COO)(NN)(H)	C(CHN)(OB)(OC)	O(CCHH)(CCO)	C(COO)(NN)(H)	117.7120	0.000	1	117.7120	0.000	1	117.7120	0.000	1	121.5990	30.218	2	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:2:	4:3:	3:2:2:	C-3:C-2:O-2:	C-4:C-3:	C-3:C-2:C-2:	C(CCC)(CC)(OC)	O(CH3)(CCC)	C(CCO)(CN)2	C(CCC)(CC)(OC)	O(CH3)(CCC)	C(CCO)(CN)2	114.1060	0.006	2	114.1060	0.000	2	114.1060	0.000	2	114.1060	0.000	2	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:2:	4:3:	3:2:3:	C-3:N-2:O-2:	C-4:C-3:	C[6a]-3:N-2:C-3:	C(CC[6a]N)(NC[6])(OC)	O(CCCH)(CCN)	C(C[6a]C[6a]2)(NC[6])(CNO)	C(CC[6a]N)(NC[6])(OC)	O(CCCH)(CCN)	C(C[6a]C[6a]2)(NC[6])(CNO)	108.9800	0.195	2	108.9800	0.038	2	109.5463	0.981	3	109.5463	0.981	3	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:2:	4:3:	3:2:3:	C-3:N-2:O-2:	C-4:C-3:	C[6a]-3:N-2:C-3:	C(CC[6a]N)(NS)(OC)	O(CH3)(CCN)	C(C[6a]C[6a]2)(NC[6a])(CNO)	C(CC[6a]N)(NS)(OC)	O(CH3)(CCN)	C(C[6a]C[6a]2)(NC[6a])(CNO)	110.6790	0.000	1	110.6790	0.000	1	109.5463	0.981	3	109.5463	0.981	3	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:2:	4:3:	3:3:1:	C-3:N-2:O-2:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(NC)(OC)	O(CH3)(CCN)	C(CCH)(CNO)(H)	C(CCH)(NC)(OC)	O(CH3)(CCN)	C(CCH)(CNO)(H)	109.5180	0.000	1	109.5180	0.000	1	111.0760	4.855	2	115.0253	16.243	77	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:2:	4:3:	3:3:1:	C-3:N-2:O-2:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(NS)(OC)	O(CCHH)(CCN)	C(CBrC)(CNO)(H)	C(CCH)(NS)(OC)	O(CCHH)(CCN)	C(CBrC)(CNO)(H)	112.6340	0.000	1	112.6340	0.000	1	111.0760	4.855	2	115.0253	16.243	77	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:2:	4:3:	3:3:1:	C-3:O-2:O-2:	B-4:C-3:	C-3:C-3:H-1:	C(CCH)(OB)(OC)	O(BF3)(CCO)	C(CC[6a]H)(COO)(H)	C(CCH)(OB)(OC)	O(BF3)(CCO)	C(CC[6a]H)(COO)(H)	124.8720	0.000	1	124.8720	0.000	1	124.8720	0.000	1	115.0253	16.243	77	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:2:	4:3:	3:3:1:	C-3:O-2:O-2:	C-4:C-3:	C-3:C-3:Br-1:	C(CBrC)(OIr)(OC)	O(CH3)(CCO)	C(CIrC)(COO)(Br)	C(CBrC)(OIr)(OC)	O(CH3)(CCO)	C(CIrC)(COO)(Br)	117.9642	0.646	4	117.9642	0.418	4	117.7212	0.609	5	115.0253	16.243	77	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:2:	4:3:	3:3:1:	C-3:O-2:O-2:	C-4:C-3:	C-3:C-3:Br-1:	C(CBrC)(OOs)(OC)	O(CH3)(CCO)	C(COsC)(COO)(Br)	C(CBrC)(OOs)(OC)	O(CH3)(CCO)	C(COsC)(COO)(Br)	116.7490	0.000	1	116.7490	0.000	1	117.7212	0.609	5	115.0253	16.243	77	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:2:	4:3:	3:3:1:	C-3:O-2:O-2:	C-4:C-3:	C-3:C-3:Cl-1:	C(CClC)(OIr)(OC)	O(CH3)(CCO)	C(CIrC)(COO)(Cl)	C(CClC)(OIr)(OC)	O(CH3)(CCO)	C(CIrC)(COO)(Cl)	118.6860	0.000	1	118.6860	0.000	1	118.6860	0.000	1	115.0253	16.243	77	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:2:	4:3:	3:3:1:	C-3:O-2:O-2:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OAl)(OC)	O(CC3)(CCO)	C(CCO)(COO)(H)	C(CCH)(OAl)(OC)	O(CC3)(CCO)	C(CCO)(COO)(H)	115.3710	0.184	3	115.3710	0.034	3	113.9592	5.739	64	115.0253	16.243	77	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:2:	4:3:	3:3:1:	C-3:O-2:O-2:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OAl)(OC)	O(CH3)(CCO)	C(CCO)(COO)(H)	C(CCH)(OAl)(OC)	O(CH3)(CCO)	C(CCO)(COO)(H)	116.5330	0.611	2	116.5330	0.373	2	113.9592	5.739	64	115.0253	16.243	77	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:2:	4:3:	3:3:1:	C-3:O-2:O-2:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OB)(OC)	O(CH3)(CCO)	C(CC[6a]H)(COO)(H)	C(CCH)(OB)(OC)	O(CH3)(CCO)	C(CC[6a]H)(COO)(H)	116.2090	0.000	1	116.2090	0.000	1	113.9592	5.739	64	115.0253	16.243	77	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:2:	4:3:	3:3:1:	C-3:O-2:O-2:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OCo)(OC)	O(CC3)(CCO)	C(CCO)(COO)(H)	C(CCH)(OCo)(OC)	O(CC3)(CCO)	C(CCO)(COO)(H)	111.9318	0.122	5	111.9318	0.015	5	113.9592	5.739	64	115.0253	16.243	77	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:2:	4:3:	3:3:1:	C-3:O-2:O-2:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OCo)(OC)	O(CCHH)(CCO)	C(CC[6a]C)(COO)(H)	C(CCH)(OCo)(OC)	O(CCHH)(CCO)	C(CC[6a]C)(COO)(H)	112.9450	0.000	1	112.9450	0.000	1	113.9592	5.739	64	115.0253	16.243	77	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:2:	4:3:	3:3:1:	C-3:O-2:O-2:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OCo)(OC)	O(CCHH)(CCO)	C(CCoC)(COO)(H)	C(CCH)(OCo)(OC)	O(CCHH)(CCO)	C(CCoC)(COO)(H)	120.0390	0.000	1	120.0390	0.000	1	113.9592	5.739	64	115.0253	16.243	77	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:2:	4:3:	3:3:1:	C-3:O-2:O-2:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OCu)(OC)	O(CC3)(CCO)	C(CCO)(COO)(H)	C(CCH)(OCu)(OC)	O(CC3)(CCO)	C(CCO)(COO)(H)	114.4240	0.000	1	114.4240	0.000	1	113.9592	5.739	64	115.0253	16.243	77	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:2:	4:3:	3:3:1:	C-3:O-2:O-2:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OFe)(OC)	O(CC3)(CCO)	C(CCO)(COO)(H)	C(CCH)(OFe)(OC)	O(CC3)(CCO)	C(CCO)(COO)(H)	113.6514	1.030	5	113.6514	1.061	5	113.9592	5.739	64	115.0253	16.243	77	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:2:	4:3:	3:3:1:	C-3:O-2:O-2:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OFe)(OC)	O(CH3)(CCO)	C(COO)2(H)	C(CCH)(OFe)(OC)	O(CH3)(CCO)	C(COO)2(H)	112.8490	0.051	2	112.8490	0.003	2	113.9592	5.739	64	115.0253	16.243	77	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:2:	4:3:	3:3:1:	C-3:O-2:O-2:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OGa)(OC)	O(CCHH)(CCO)	C(CC[6a]H)(COO)(H)	C(CCH)(OGa)(OC)	O(CCHH)(CCO)	C(CC[6a]H)(COO)(H)	115.8440	0.000	1	115.8440	0.000	1	113.9592	5.739	64	115.0253	16.243	77	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:2:	4:3:	3:3:1:	C-3:O-2:O-2:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OIr)(OC)	O(CH3)(CCO)	C(CIrC)(COO)(H)	C(CCH)(OIr)(OC)	O(CH3)(CCO)	C(CIrC)(COO)(H)	117.4740	1.166	3	117.4740	1.360	3	113.9592	5.739	64	115.0253	16.243	77	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:2:	4:3:	3:3:1:	C-3:O-2:O-2:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OLi)(OC)	O(CC3)(CCO)	C(CCO)(COO)(H)	C(CCH)(OLi)(OC)	O(CC3)(CCO)	C(CCO)(COO)(H)	111.1522	0.264	4	111.1522	0.070	4	113.9592	5.739	64	115.0253	16.243	77	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:2:	4:3:	3:3:1:	C-3:O-2:O-2:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OMg)(OC)	O(CC3)(CCO)	C(CCO)(COO)(H)	C(CCH)(OMg)(OC)	O(CC3)(CCO)	C(CCO)(COO)(H)	112.5252	0.233	5	112.5252	0.054	5	113.9592	5.739	64	115.0253	16.243	77	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:2:	4:3:	3:3:1:	C-3:O-2:O-2:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OMn)(OC)	O(CH3)(CCO)	C(CMnP)(COO)(H)	C(CCH)(OMn)(OC)	O(CH3)(CCO)	C(CMnP)(COO)(H)	117.1710	0.000	1	117.1710	0.000	1	113.9592	5.739	64	115.0253	16.243	77	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:2:	4:3:	3:3:1:	C-3:O-2:O-2:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(ONb)(OC)	O(CH3)(CCO)	C(CCH)(COO)(H)	C(CCH)(ONb)(OC)	O(CH3)(CCO)	C(CCH)(COO)(H)	110.6200	0.451	2	110.6200	0.204	2	113.9592	5.739	64	115.0253	16.243	77	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:2:	4:3:	3:3:1:	C-3:O-2:O-2:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(ONi)(OC)	O(CC3)(CCO)	C(CCO)(COO)(H)	C(CCH)(ONi)(OC)	O(CC3)(CCO)	C(CCO)(COO)(H)	112.0240	0.081	6	112.0240	0.007	6	113.9592	5.739	64	115.0253	16.243	77	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:2:	4:3:	3:3:1:	C-3:O-2:O-2:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(ONi)(OC)	O(CH3)(CCO)	C(CCN)(COO)(H)	C(CCH)(ONi)(OC)	O(CH3)(CCO)	C(CCN)(COO)(H)	115.3975	0.117	2	115.3975	0.014	2	113.9592	5.739	64	115.0253	16.243	77	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:2:	4:3:	3:3:1:	C-3:O-2:O-2:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OOs)(OC)	O(CCHH)(CCO)	C(COsC)(COO)(H)	C(CCH)(OOs)(OC)	O(CCHH)(CCO)	C(COsC)(COO)(H)	119.1750	0.000	1	119.1750	0.000	1	113.9592	5.739	64	115.0253	16.243	77	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:2:	4:3:	3:3:1:	C-3:O-2:O-2:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OOs)(OC)	O(CH3)(CCO)	C(COO)2(H)	C(CCH)(OOs)(OC)	O(CH3)(CCO)	C(COO)2(H)	115.0350	0.363	2	115.0350	0.132	2	113.9592	5.739	64	115.0253	16.243	77	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:2:	4:3:	3:3:1:	C-3:O-2:O-2:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OOs)(OC)	O(CH3)(CCO)	C(COsC)(COO)(H)	C(CCH)(OOs)(OC)	O(CH3)(CCO)	C(COsC)(COO)(H)	116.6520	0.139	2	116.6520	0.019	2	113.9592	5.739	64	115.0253	16.243	77	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:2:	4:3:	3:3:1:	C-3:O-2:O-2:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OOs)(OC)	O(CH3)(CCO)	C(COsH)(COO)(H)	C(CCH)(OOs)(OC)	O(CH3)(CCO)	C(COsH)(COO)(H)	118.4840	0.000	1	118.4840	0.000	1	113.9592	5.739	64	115.0253	16.243	77	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:2:	4:3:	3:3:1:	C-3:O-2:O-2:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OPd)(OC)	O(CH3)(CCO)	C(COO)2(H)	C(CCH)(OPd)(OC)	O(CH3)(CCO)	C(COO)2(H)	112.8220	0.298	2	112.8220	0.089	2	113.9592	5.739	64	115.0253	16.243	77	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:2:	4:3:	3:3:1:	C-3:O-2:O-2:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(ORu)(OC)	O(CH3)(CCO)	C(COO)2(H)	C(CCH)(ORu)(OC)	O(CH3)(CCO)	C(COO)2(H)	120.0750	0.000	1	120.0750	0.000	1	113.9592	5.739	64	115.0253	16.243	77	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:2:	4:3:	3:3:1:	C-3:O-2:O-2:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(ORu)(OC)	O(CH3)(CCO)	C(CRuC)(COO)(H)	C(CCH)(ORu)(OC)	O(CH3)(CCO)	C(CRuC)(COO)(H)	116.3540	0.000	1	116.3540	0.000	1	113.9592	5.739	64	115.0253	16.243	77	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:2:	4:3:	3:3:1:	C-3:O-2:O-2:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OZn)(OC)	O(CC3)(CCO)	C(CCO)(COO)(H)	C(CCH)(OZn)(OC)	O(CC3)(CCO)	C(CCO)(COO)(H)	112.0697	0.148	3	112.0697	0.022	3	113.9592	5.739	64	115.0253	16.243	77	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:2:	4:3:	3:3:1:	C-3:O-2:O-2:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OZn)(OC)	O(CCHH)(CCO)	C(CCN)(COO)(H)	C(CCH)(OZn)(OC)	O(CCHH)(CCO)	C(CCN)(COO)(H)	114.2010	0.532	2	114.2010	0.283	2	113.9592	5.739	64	115.0253	16.243	77	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:2:	4:3:	3:3:1:	C-3:O-2:O-2:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OZn)(OC)	O(CCHH)(CCO)	C(CCO)(COO)(H)	C(CCH)(OZn)(OC)	O(CCHH)(CCO)	C(CCO)(COO)(H)	113.3425	0.972	2	113.3425	0.945	2	113.9592	5.739	64	115.0253	16.243	77	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:2:	4:3:	3:3:1:	C-3:O-2:O-2:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(OZn)(OC)	O(CH3)(CCO)	C(CCN)(COO)(H)	C(CCH)(OZn)(OC)	O(CH3)(CCO)	C(CCN)(COO)(H)	112.8620	0.164	2	112.8620	0.027	2	113.9592	5.739	64	115.0253	16.243	77	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:2:	4:3:	3:3:1:	C-3:O-2:O-2:	C-4:C-3:	C[6,6]-3:C-3:H-1:	C(CC[6,6]H)(OC)2	O(CH3)(CCO)	C(C[6,6]C[4x6]C[6,6])(COO)(H)	C(CC[6,6]H)(OC)2	O(CH3)(CCO)	C(C[6,6]C[4x6]C[6,6])(COO)(H)	129.2160	0.000	1	129.2160	0.000	1	129.2160	0.000	1	115.0253	16.243	77	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:2:	4:3:	3:3:1:	C-3:O-2:O-2:	C-4:C-3:	C[6]-3:C-3:H-1:	C(CC[6]H)(OC)2	O(CH3)(CCO)	C(C[6]C[5,6,6]C[6])(COO)(H)	C(CC[6]H)(OC)2	O(CH3)(CCO)	C(C[6]C[5,6,6]C[6])(COO)(H)	127.6905	0.432	2	127.6905	0.187	2	127.6905	0.187	2	115.0253	16.243	77	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:2:	4:3:	3:3:1:	C-3:O-2:O-2:	Ga-4:C-3:	C-3:C-3:H-1:	C(CCH)(OGa)(OC)	O(GaI3)(CCO)	C(CC[6a]H)(COO)(H)	C(CCH)(OGa)(OC)	O(GaI3)(CCO)	C(CC[6a]H)(COO)(H)	124.6510	0.000	1	124.6510	0.000	1	124.6510	0.000	1	115.0253	16.243	77	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:2:	4:3:	3:3:2:	C-3:N-2:O-2:	C-4:C-3:	N-3:C-3:C-2:	C(CCN)(NCu)(OC)	O(CH3)(CCN)	C(NCuO)(CNO)(CN)	C(CCN)(NCu)(OC)	O(CH3)(CCN)	C(NCuO)(CNO)(CN)	113.4580	0.000	1	113.4580	0.000	1	113.4580	0.000	1	114.8089	4.079	8	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:2:	4:3:	3:3:2:	C-3:O-2:O-2:	C-4:C-3:	C-3:C-3:C-2:	C(CCC)(OCu)(OC)	O(CCHH)(CCO)	C(CHN)(COO)(CN)	C(CCC)(OCu)(OC)	O(CCHH)(CCO)	C(CHN)(COO)(CN)	117.5455	2.525	2	117.5455	6.376	2	115.4668	8.027	4	114.8089	4.079	8	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:2:	4:3:	3:3:2:	C-3:O-2:O-2:	C-4:C-3:	C-3:C-3:C-2:	C(CCC)(OFe)(OC)	O(CCHH)(CCO)	C(CHN)(COO)(CN)	C(CCC)(OFe)(OC)	O(CCHH)(CCO)	C(CHN)(COO)(CN)	113.3880	0.649	2	113.3880	0.421	2	115.4668	8.027	4	114.8089	4.079	8	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:2:	4:3:	3:3:2:	C-3:O-2:O-2:	C-4:C-3:	C[5a]-3:C-3:N-2:	C(CC[5a]N)(OZn)(OC)	O(CCHH)(CCO)	C(C[5a]N[5a]2)(COO)(NN)	C(CC[5a]N)(OZn)(OC)	O(CCHH)(CCO)	C(C[5a]N[5a]2)(COO)(NN)	114.2470	0.000	1	114.2470	0.000	1	114.2470	0.000	1	114.8089	4.079	8	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:2:	4:3:	3:3:2:	C-3:O-2:O-2:	C-4:C-3:	C[6]-3:C-3:N-2:	C(CC[6]N)(OZn)(OC)	O(CCHH)(CCO)	C(C[6]C[6]N[6])(COO)(NN)	C(CC[6]N)(OZn)(OC)	O(CCHH)(CCO)	C(C[6]C[6]N[6])(COO)(NN)	114.0380	0.000	1	114.0380	0.000	1	114.0380	0.000	1	114.8089	4.079	8	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:2:	4:3:	3:3:2:	C-3:O-2:O-2:	C-4:C-3:	C[6a]-3:C-3:N-2:	C(CC[6a]N)(OFe)(OC)	O(CH3)(CCO)	C(C[6a]C[6a]2)(COO)(NN)	C(CC[6a]N)(OFe)(OC)	O(CH3)(CCO)	C(C[6a]C[6a]2)(COO)(NN)	114.8610	0.000	1	114.8610	0.000	1	114.8610	0.000	1	114.8089	4.079	8	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:2:	4:3:	3:3:3:	C-3:N-2:O-2:	C-4:C-3:	C[6a]-3:N-3:C-3:	C(CC[6a]N)(NS)(OC)	O(CH3)(CCN)	C(C[6a]C[6a]2)(NC[6a]O)(CNO)	C(CC[6a]N)(NS)(OC)	O(CH3)(CCN)	C(C[6a]C[6a]2)(NC[6a]O)(CNO)	109.7442	0.857	5	109.7442	0.734	5	109.7442	0.734	5	114.3726	8.486	23	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:2:	4:3:	3:3:3:	C-3:O-2:O-2:	C-4:C-3:	C-3:C-3:C-3:	C(CCC)(OCu)(OC)	O(CCHH)(CCO)	C(CHN)(COO)2	C(CCC)(OCu)(OC)	O(CCHH)(CCO)	C(CHN)(COO)2	117.5360	0.904	3	117.5360	0.818	3	116.2305	1.846	11	114.3726	8.486	23	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:2:	4:3:	3:3:3:	C-3:O-2:O-2:	C-4:C-3:	C-3:C-3:C-3:	C(CCC)(OIr)(OC)	O(CCHH)(CCO)	C(CCC)(COO)2	C(CCC)(OIr)(OC)	O(CCHH)(CCO)	C(CCC)(COO)2	114.4125	1.865	2	114.4125	3.477	2	116.2305	1.846	11	114.3726	8.486	23	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:2:	4:3:	3:3:3:	C-3:O-2:O-2:	C-4:C-3:	C-3:C-3:C-3:	C(CCC)(OPd)(OC)	O(CH3)(CCO)	C(CCN)(COO)2	C(CCC)(OPd)(OC)	O(CH3)(CCO)	C(CCN)(COO)2	115.8285	0.613	2	115.8285	0.376	2	116.2305	1.846	11	114.3726	8.486	23	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:2:	4:3:	3:3:3:	C-3:O-2:O-2:	C-4:C-3:	C-3:C-3:C-3:	C(CCC)(OZn)(OC)	O(CCHH)(CCO)	C(CHN)(COO)2	C(CCC)(OZn)(OC)	O(CCHH)(CCO)	C(CHN)(COO)2	116.3612	0.534	4	116.3612	0.285	4	116.2305	1.846	11	114.3726	8.486	23	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:2:	4:3:	3:3:3:	C-3:O-2:O-2:	C-4:C-3:	C-3:C-3:N-3:	C(CCN)(OIr)(OC)	O(CH3)(CCO)	C(CIrC)(COO)(NOO)	C(CCN)(OIr)(OC)	O(CH3)(CCO)	C(CIrC)(COO)(NOO)	118.7050	0.000	1	118.7050	0.000	1	118.7050	0.000	1	114.3726	8.486	23	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:2:	4:3:	3:3:3:	C-3:O-2:O-2:	C-4:C-3:	C[6a]-3:C-3:C-3:	C(CC[6a]C)(OFe)(OC)	O(CCHH)(CCO)	C(C[6a]C[6a]2)(COO)2	C(CC[6a]C)(OFe)(OC)	O(CCHH)(CCO)	C(C[6a]C[6a]2)(COO)2	114.1720	0.552	4	114.1720	0.305	4	114.1015	0.202	6	114.3726	8.486	23	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:2:	4:3:	3:3:3:	C-3:O-2:O-2:	C-4:C-3:	C[6a]-3:C-3:C-3:	C(CC[6a]C)(ONi)(OC)	O(CCHH)(CCO)	C(C[6a]C[6a]2)(COO)2	C(CC[6a]C)(ONi)(OC)	O(CCHH)(CCO)	C(C[6a]C[6a]2)(COO)2	113.9605	0.186	2	113.9605	0.035	2	114.1015	0.202	6	114.3726	8.486	23	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:2:	4:3:	3:4:3:	C-3:N-2:O-2:	C-4:C-3:	N-3:C-4:C-3:	C(CCN)(NS)(OC)	O(CH3)(CCN)	C(NC[6a]O)(CCHH)(CNO)	C(CCN)(NS)(OC)	O(CH3)(CCN)	C(NC[6a]O)(CCHH)(CNO)	109.1830	0.000	1	109.1830	0.000	1	109.1830	0.000	1	117.7980	42.374	4	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:2:	4:3:	3:4:3:	C-3:O-2:O-2:	C-4:C-3:	C[6a]-3:C-4:C-3:	C(CC[6a]C)(OB)(OC)	O(CCHH)(CCO)	C(C[6a]C[6a]2)(CH3)(COO)	C(CC[6a]C)(OB)(OC)	O(CCHH)(CCO)	C(C[6a]C[6a]2)(CH3)(COO)	122.7295	1.645	2	122.7295	2.707	2	122.7295	2.707	2	117.7980	42.374	4	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:2:	4:3:	3:4:3:	C-3:O-2:O-2:	C-4:C-3:	S-3:C-4:C-3:	C(CCS)(OCo)(OC)	O(CH3)(CCO)	C(SC[5x3,5x5,20x6]Co)(CCHN)(COO)	C(CCS)(OCo)(OC)	O(CH3)(CCO)	C(SC[5x3,5x5,20x6]Co)(CCHN)(COO)	116.5500	0.000	1	116.5500	0.000	1	116.5500	0.000	1	117.7980	42.374	4	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:2:	4:3:	4:3:2:	C-3:N-2:O-2:	C-4:C-3:	C-4:C-3:C-2:	C(CCC)(NC)(OC)	O(CH3)(CCN)	C(CCHH)(CNO)(CN)	C(CCC)(NC)(OC)	O(CH3)(CCN)	C(CCHH)(CNO)(CN)	118.1820	0.000	1	118.1820	0.000	1	118.1820	0.000	1	118.1820	0.000	1	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:2:	4:3:	4:3:3:	C-3:O-2:O-2:	C-4:C-3:	C-4:C-3:C-3:	C(CCC)(OPd)(OC)	O(CH3)(CCO)	C(CC[6a]HP)(COO)2	C(CCC)(OPd)(OC)	O(CH3)(CCO)	C(CC[6a]HP)(COO)2	117.5500	0.000	1	117.5500	0.000	1	117.5500	0.000	1	117.5500	0.000	1	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:2:	4:3:	4:4:3:	C-3:O-2:O-2:	C-4:C-3:	C-4:C-4:C-3:	C(CCC)(OC)2	O(CH3)(CCO)	C(CCHH)(CH3)(COO)	C(CCC)(OC)2	O(CH3)(CCO)	C(CCHH)(CH3)(COO)	122.3645	2.403	2	122.3645	5.777	2	122.5400	2.118	4	122.2998	6.975	9	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:2:	4:3:	4:4:3:	C-3:O-2:O-2:	C-4:C-3:	C-4:C-4:C-3:	C(CCC)(OSi)(OC)	O(CH3)(CCO)	C(CH3)2(COO)	C(CCC)(OSi)(OC)	O(CH3)(CCO)	C(CH3)2(COO)	122.7155	0.674	2	122.7155	0.454	2	122.5400	2.118	4	122.2998	6.975	9	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:2:	4:3:	4:4:3:	C-3:O-2:O-2:	C-4:C-3:	P-4:C-4:C-3:	C(CCP)(OOs)(OC)	O(CCHH)(CCO)	C(PC[6a]3)(COsCH)(COO)	C(CCP)(OOs)(OC)	O(CCHH)(CCO)	C(PC[6a]3)(COsCH)(COO)	117.7240	0.000	1	117.7240	0.000	1	117.7240	0.000	1	122.2998	6.975	9	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:2:	4:3:	4:4:3:	C-3:O-2:O-2:	C-4:C-3:	P-4:Ga-4:C-3:	C(CGaP)(OC)2	O(CCHH)(CCO)	C(PC[6a]3)(GaCl3)(COO)	C(CGaP)(OC)2	O(CCHH)(CCO)	C(PC[6a]3)(GaCl3)(COO)	123.5415	4.740	2	123.5415	22.465	2	123.5415	22.465	2	122.2998	6.975	9	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:2:	4:3:	4:4:3:	C-3:O-2:O-2:	Si-4:C-3:	C-4:C-4:C-3:	C(CCC)(OSi)(OC)	O(SiC[5]2O)(CCO)	C(CH3)2(COO)	C(CCC)(OSi)(OC)	O(SiC[5]2O)(CCO)	C(CH3)2(COO)	122.8655	1.445	2	122.8655	2.087	2	122.8655	2.087	2	122.2998	6.975	9	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:2:	6:3:	3:3:1:	C-3:O-2:O-2:	Nb-6:C-3:	C-3:C-3:H-1:	C(CCH)(ONb)(OC)	O(NbCl3OO)(CCO)	C(CCH)(COO)(H)	C(CCH)(ONb)(OC)	O(NbCl3OO)(CCO)	C(CCH)(COO)(H)	127.4625	0.928	2	127.4625	0.862	2	127.4625	0.862	2	127.4625	0.862	2	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:3:	3:3:	3:1:1:	C[6a]-3:O-2:C-3:	C[5a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(OC[5a])(CHH)	O(C[5a]N[5a,6a]C[5a])(CC[6a]C)	C(CC[6a]O)(H)2	C(C[6a]C[6a]2)(OC[5a])(CHH)	O(C[5a]N[5a,6a]C[5a])(CC[6a]C)	C(CC[6a]O)(H)2	122.4190	0.000	1	122.4190	0.000	1	122.4190	0.000	1	119.7460	14.290	2	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:3:	3:3:	3:1:1:	C[6a]-3:O-2:C-3:	C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(OC[6a])(CHH)	O(C[6a]C[6a,6a]N[6a])(CC[6a]C)	C(CC[6a]O)(H)2	C(C[6a]C[6a]2)(OC[6a])(CHH)	O(C[6a]C[6a,6a]N[6a])(CC[6a]C)	C(CC[6a]O)(H)2	117.0730	0.000	1	117.0730	0.000	1	117.0730	0.000	1	119.7460	14.290	2	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:3:	3:3:	3:2:1:	C-3:O-2:C-3:	C[6a]-3:C-3:	C-3:O-2:O-1:	C(CC[6a]H)(OC[6a])(COO)	O(C[6a]C[6a]2)(CCC)	C(CCO)(OH)(O)	C(CC[6a]H)(OC[6a])(COO)	O(C[6a]C[6a]2)(CCC)	C(CCO)(OH)(O)	113.5100	0.000	1	113.5100	0.000	1	113.5100	0.000	1	119.0402	13.202	6	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:O-2:C-3:	C[6a]-3:C-3:	C-3:C-2:H-1:	C(C[6a]C[6a]2)(OC[6a])(CCH)	O(C[6a]C[6a,6a]C[6a])(CC[6a]C)	C(CC[6a]O)(CN)(H)	C(C[6a]C[6a]2)(OC[6a])(CCH)	O(C[6a]C[6a,6a]C[6a])(CC[6a]C)	C(CC[6a]O)(CN)(H)	117.2310	0.000	1	117.2310	0.000	1	120.1462	7.328	5	119.0402	13.202	6	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:O-2:C-3:	C[6a]-3:C-3:	C-3:C-2:H-1:	C(C[6a]C[6a]2)(OC[6a])(CCH)	O(C[6a]C[6a]2)(CC[6a]C)	C(CC[6a]O)(CN)(H)	C(C[6a]C[6a]2)(OC[6a])(CCH)	O(C[6a]C[6a]2)(CC[6a]C)	C(CC[6a]O)(CN)(H)	120.8750	2.496	4	120.8750	6.230	4	120.1462	7.328	5	119.0402	13.202	6	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:3:	3:3:	3:3:1:	C-3:O-2:C-3:	C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(CC[6a]H)(OC[6a])(COO)	O(C[6a]C[6a]2)(CCC)	C(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]H)(OC[6a])(COO)	O(C[6a]C[6a]2)(CCC)	C(C[6a]C[6a]2)(CCO)(H)	122.5850	0.000	1	122.5850	0.000	1	122.5850	0.000	1	122.8387	3.173	12	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:O-2:C-3:	C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[5a]N[5a]O[5a])(OC[6a])(CHN)	O(C[6a]C[6a]2)(CC[5a]C)	C(CC[5a]O)(NCC)(H)	C(C[5a]N[5a]O[5a])(OC[6a])(CHN)	O(C[6a]C[6a]2)(CC[5a]C)	C(CC[5a]O)(NCC)(H)	123.7785	0.552	6	123.7785	0.305	6	123.7785	0.305	6	122.8387	3.173	12	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:O-2:C-3:	C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(OC[6a])(CCH)	O(C[6a]C[6a]2)(CC[6a]C)	C(CC[6a]O)(CCN)(H)	C(C[6a]C[6a]2)(OC[6a])(CCH)	O(C[6a]C[6a]2)(CC[6a]C)	C(CC[6a]O)(CCN)(H)	117.6120	0.000	1	117.6120	0.000	1	117.6120	0.000	1	122.8387	3.173	12	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:O-2:C-3:	N[6]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(ON[6])(CHN)	O(N[6]C[6]2)(CC[6a]C)	C(CC[6a]O)(NOO)(H)	C(C[6a]C[6a]2)(ON[6])(CHN)	O(N[6]C[6]2)(CC[6a]C)	C(CC[6a]O)(NOO)(H)	122.7990	0.479	4	122.7990	0.229	4	122.7990	0.229	4	122.8387	3.173	12	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:3:	3:3:	3:3:2:	C[6a]-3:O-2:C-3:	C[6a]-3:C-3:	C-3:N-3:N-2:	C(C[6a]C[6a,6a]C[6a])(OC[6a])(CNN)	O(C[6a]C[6a]2)(CC[6a]C)	C(CC[6a]O)(NCS)(NC)	C(C[6a]C[6a,6a]C[6a])(OC[6a])(CNN)	O(C[6a]C[6a]2)(CC[6a]C)	C(CC[6a]O)(NCS)(NC)	119.2190	0.000	1	119.2190	0.000	1	117.2065	8.100	2	117.2065	8.100	2	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:3:	3:3:	3:3:2:	C[6a]-3:O-2:C-3:	C[6a]-3:C-3:	C-3:N-3:N-2:	C(C[6a]C[6a]2)(OC[6a])(CNN)	O(C[6a]C[6a]2)(CC[6a]C)	C(CC[6a]O)(NCS)(NC)	C(C[6a]C[6a]2)(OC[6a])(CNN)	O(C[6a]C[6a]2)(CC[6a]C)	C(CC[6a]O)(NCS)(NC)	115.1940	0.000	1	115.1940	0.000	1	117.2065	8.100	2	117.2065	8.100	2	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:3:	3:3:	3:4:1:	C[6a]-3:O-2:C-3:	C[5a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(OC[5a])(CCH)	O(C[5a]C[5a]N[5a])(CC[6a]C)	C(CC[6a]O)(CCHO)(H)	C(C[6a]C[6a]2)(OC[5a])(CCH)	O(C[5a]C[5a]N[5a])(CC[6a]C)	C(CC[6a]O)(CCHO)(H)	127.0250	0.000	1	127.0250	0.000	1	127.0250	0.000	1	126.0670	1.836	2	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:3:	3:3:	3:4:1:	C[6a]-3:O-2:C-3:	N[5]-3:C-3:	C-3:P-4:H-1:	C(C[6a]C[6a]2)(ON[5])(CHP)	O(N[5]C[5]2)(CC[6a]C)	C(CC[6a]O)(PO3)(H)	C(C[6a]C[6a]2)(ON[5])(CHP)	O(N[5]C[5]2)(CC[6a]C)	C(CC[6a]O)(PO3)(H)	125.1090	0.000	1	125.1090	0.000	1	125.1090	0.000	1	126.0670	1.836	2	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:3:	3:3:	4:3:1:	P-3:O-2:C-3:	B[5]-3:C-3:	C-4:C-3:H-1:	C(PC[6a]2)(OB[5])(CCH)	O(B[5]O[5]2)(CCP)	C(CC[6a]HP)(COP)(H)	C(PC[6a]2)(OB[5])(CCH)	O(B[5]O[5]2)(CCP)	C(CC[6a]HP)(COP)(H)	121.8455	0.551	2	121.8455	0.303	2	121.8455	0.303	2	121.8455	0.303	2	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:3:	4:3:	3:3:1:	C[6a]-3:O-2:C-3:	C[5]-4:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(OC[5])(CCH)	O(C[5]C[5]2H)(CC[6a]C)	C(CC[6a]O)(COO)(H)	C(C[6a]C[6a]2)(OC[5])(CCH)	O(C[5]C[5]2H)(CC[6a]C)	C(CC[6a]O)(COO)(H)	118.9670	0.000	1	118.9670	0.000	1	118.9670	0.000	1	121.0662	6.795	5	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:3:	4:3:	3:3:1:	C[6a]-3:O-2:C-3:	C[6]-4:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(OC[6])(CCH)	O(C[6]C[6]2H)(CC[6a]C)	C(CC[6a]O)(COO)(H)	C(C[6a]C[6a]2)(OC[6])(CCH)	O(C[6]C[6]2H)(CC[6a]C)	C(CC[6a]O)(COO)(H)	120.2640	0.520	3	120.2640	0.270	3	121.5910	7.224	4	121.0662	6.795	5	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:3:	4:3:	3:3:1:	C[6a]-3:O-2:C-3:	C[6]-4:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(OC[6])(CCH)	O(C[6]C[6]O[6]H)(CC[6a]C)	C(CC[6a]O)(CHO)(H)	C(C[6a]C[6a]2)(OC[6])(CCH)	O(C[6]C[6]O[6]H)(CC[6a]C)	C(CC[6a]O)(CHO)(H)	125.5720	0.000	1	125.5720	0.000	1	121.5910	7.224	4	121.0662	6.795	5	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:3:	4:3:	4:3:1:	C[6a]-3:O-2:C-3:	B[5]-4:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(OB[5])(CCH)	O(B[5]C[6a]C[5]2)(CC[6a]C)	C(CC[6a]P[5]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(OB[5])(CCH)	O(B[5]C[6a]C[5]2)(CC[6a]C)	C(CC[6a]P[5]H)(CC[6a]O)(H)	119.7120	0.000	1	119.7120	0.000	1	119.7120	0.000	1	119.7120	0.000	1	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:3:	5:3:	3:1:1:	C[6a]-3:O-2:C-3:	Si[4]-5:C-3:	C-3:F-1:F-1:	C(C[6a]C[6a]2)(OSi[4])(CFF)	O(Si[4]N[4]2FN)(CC[6a]C)	C(CC[6a]O)(F)2	C(C[6a]C[6a]2)(OSi[4])(CFF)	O(Si[4]N[4]2FN)(CC[6a]C)	C(CC[6a]O)(F)2	121.1720	0.000	1	121.1720	0.000	1	121.1720	0.000	1	121.1720	0.000	1	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:4:	3:3:	3:3:3:	C-3:O-2:C-4:	C[6a]-3:C-3:	C[6a]-3:C[5]-3:C-3:	C(CC[6a]C[5])(OC[6a])(CH3)	O(C[6a]C[6a]2)(CCC)	C(C[6a]C[6a]2)(C[5]C[5]2)(CCO)	C(CC[6a]C[5])(OC[6a])(CH3)	O(C[6a]C[6a]2)(CCC)	C(C[6a]C[6a]2)(C[5]C[5]2)(CCO)	119.2650	0.000	1	119.2650	0.000	1	119.2650	0.000	1	119.2650	0.000	1	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:4:	3:3:	3:4:3:	C-3:O-2:C-4:	C[6a]-3:C-3:	C[6a]-3:C-4:C-3:	C(CC[6a]C)(OC[6a])(CCHH)	O(C[6a]C[6a,6a]N[6a])(CCC)	C(C[6a]C[6a,6a]C[6a])(CCHH)(CCO)	C(CC[6a]C)(OC[6a])(CCHH)	O(C[6a]C[6a,6a]N[6a])(CCC)	C(C[6a]C[6a,6a]C[6a])(CCHH)(CCO)	118.6660	0.000	1	118.6660	0.000	1	118.6660	0.000	1	117.9520	1.020	2	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:4:	3:3:	3:4:3:	C-3:O-2:C-4:	C[6a]-3:C-3:	C[6a]-3:P[6]-4:C-3:	C(CC[6a]P[6])(OC[6a])(CH3)	O(C[6a]C[6a]2)(CCC)	C(C[6a]C[6a]2)(P[6]O[6]2O)(CCO)	C(CC[6a]P[6])(OC[6a])(CH3)	O(C[6a]C[6a]2)(CCC)	C(C[6a]C[6a]2)(P[6]O[6]2O)(CCO)	117.2380	0.000	1	117.2380	0.000	1	117.2380	0.000	1	117.9520	1.020	2	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:2:4:	4:3:	3:3:1:	C-3:O-2:C-4:	C[5]-4:C-3:	C[6a]-3:C-3:H-1:	C(CC[6a]H)(OC[5])(CCHH)	O(C[5]C[5]N[5]C)(CCC)	C(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]H)(OC[5])(CCHH)	O(C[5]C[5]N[5]C)(CCC)	C(C[6a]C[6a]2)(CCO)(H)	127.9150	0.000	1	127.9150	0.000	1	127.9150	0.000	1	127.9150	0.000	1	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:1:	3:2:1:	C-3:C-3:O-2:	C-3:H-1:	C-3:O-2:O-1:	C(CCH)(COO)(OH)	O(CCC)(H)	C(CCO)(OC)(O)	C(CCH)(COO)(OH)	O(CCC)(H)	C(CCO)(OC)(O)	114.8858	1.376	4	114.8858	1.895	4	114.3390	1.052	11	114.3390	1.052	11	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:1:	3:2:1:	C-3:C-3:O-2:	C-3:H-1:	C-3:O-2:O-1:	C(CC[5a]H)(COO)(OH)	O(CCC)(H)	C(CCO)(OH)(O)	C(CC[5a]H)(COO)(OH)	O(CCC)(H)	C(CCO)(OH)(O)	114.0135	1.128	2	114.0135	1.272	2	114.3390	1.052	11	114.3390	1.052	11	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:1:	3:2:1:	C-3:C-3:O-2:	C-3:H-1:	C-3:O-2:O-1:	C(CC[6a]H)(COO)(OH)	O(CCC)(H)	C(CCO)(OH)(O)	C(CC[6a]H)(COO)(OH)	O(CCC)(H)	C(CCO)(OH)(O)	114.0318	0.649	5	114.0318	0.421	5	114.3390	1.052	11	114.3390	1.052	11	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:1:	3:3:1:	C-3:C-3:O-2:	C-3:H-1:	C-3:C-3:Br-1:	C(CBrC)(CCO)(OH)	O(CCC)(H)	C(CCH)(CCO)(Br)	C(CBrC)(CCO)(OH)	O(CCC)(H)	C(CCH)(CCO)(Br)	118.4140	0.000	1	118.4140	0.000	1	118.4140	0.000	1	119.0650	12.483	239	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:1:	3:3:1:	C-3:C-3:O-2:	C-3:H-1:	C-3:C-3:Cl-1:	C(CClC)(CCO)(OH)	O(CCC)(H)	C(CCO)(CNO)(Cl)	C(CClC)(CCO)(OH)	O(CCC)(H)	C(CCO)(CNO)(Cl)	117.6390	0.000	1	117.6390	0.000	1	117.6390	0.000	1	119.0650	12.483	239	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:1:	3:3:1:	C-3:C-3:O-2:	C-3:H-1:	C-3:C-3:H-1:	C(CCC)(CCH)(OH)	O(CCC)(H)	C(CC[6a]H)(CCO)(H)	C(CCC)(CCH)(OH)	O(CCC)(H)	C(CC[6a]H)(CCO)(H)	116.0500	0.000	1	116.0500	0.000	1	117.9038	10.606	110	119.0650	12.483	239	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:1:	3:3:1:	C-3:C-3:O-2:	C-3:H-1:	C-3:C-3:H-1:	C(CCC)(CCH)(OH)	O(CCC)(H)	C(CClC)(CCO)(H)	C(CCC)(CCH)(OH)	O(CCC)(H)	C(CClC)(CCO)(H)	110.2905	0.177	2	110.2905	0.032	2	117.9038	10.606	110	119.0650	12.483	239	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:1:	3:3:1:	C-3:C-3:O-2:	C-3:H-1:	C-3:C-3:H-1:	C(CCH)(CCO)(OH)	O(CCC)(H)	C(CCC)(CCO)(H)	C(CCH)(CCO)(OH)	O(CCC)(H)	C(CCC)(CCO)(H)	118.6354	2.198	7	118.6354	4.830	7	117.9038	10.606	110	119.0650	12.483	239	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:1:	3:3:1:	C-3:C-3:O-2:	C-3:H-1:	C-3:C-3:H-1:	C(CCH)(CCO)(OH)	O(CCC)(H)	C(CCH)(CCO)(H)	C(CCH)(CCO)(OH)	O(CCC)(H)	C(CCH)(CCO)(H)	116.7793	1.828	22	116.7793	3.343	22	117.9038	10.606	110	119.0650	12.483	239	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:1:	3:3:1:	C-3:C-3:O-2:	C-3:H-1:	C-3:C-3:H-1:	C(CCH)(CCO)(OH)	O(CCC)(H)	C(CC[6a]O)(CCO)(H)	C(CCH)(CCO)(OH)	O(CCC)(H)	C(CC[6a]O)(CCO)(H)	123.5605	0.175	2	123.5605	0.031	2	117.9038	10.606	110	119.0650	12.483	239	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:1:	3:3:1:	C-3:C-3:O-2:	C-3:H-1:	C-3:C-3:H-1:	C(CCH)(CCP)(OH)	O(CCC)(H)	C(COsH)(CCO)(H)	C(CCH)(CCP)(OH)	O(CCC)(H)	C(COsH)(CCO)(H)	122.2460	0.000	2	122.2460	0.000	2	117.9038	10.606	110	119.0650	12.483	239	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:1:	3:3:1:	C-3:C-3:O-2:	C-3:H-1:	C-3:C-3:H-1:	C(CCH)(CCS)(OH)	O(CCC)(H)	C(CCC)(CCO)(H)	C(CCH)(CCS)(OH)	O(CCC)(H)	C(CCC)(CCO)(H)	111.3460	0.000	1	111.3460	0.000	1	117.9038	10.606	110	119.0650	12.483	239	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:1:	3:3:1:	C-3:C-3:O-2:	C-3:H-1:	C-3:C-3:H-1:	C(CCH)(CCS)(OH)	O(CCC)(H)	C(CC[6a]C)(CCO)(H)	C(CCH)(CCS)(OH)	O(CCC)(H)	C(CC[6a]C)(CCO)(H)	111.1280	0.000	1	111.1280	0.000	1	117.9038	10.606	110	119.0650	12.483	239	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:1:	3:3:1:	C-3:C-3:O-2:	C-3:H-1:	C-3:C-3:H-1:	C(CCH)(COO)(OH)	O(CCC)(H)	C(CCO)2(H)	C(CCH)(COO)(OH)	O(CCC)(H)	C(CCO)2(H)	124.0895	0.732	2	124.0895	0.536	2	117.9038	10.606	110	119.0650	12.483	239	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:1:	3:3:1:	C-3:C-3:O-2:	C-3:H-1:	C-3:C-3:H-1:	C(CCH)(COO)(OH)	O(CCC)(H)	C(CC[5a]O)(CCO)(H)	C(CCH)(COO)(OH)	O(CCC)(H)	C(CC[5a]O)(CCO)(H)	124.2040	0.000	1	124.2040	0.000	1	117.9038	10.606	110	119.0650	12.483	239	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:1:	3:3:1:	C-3:C-3:O-2:	C-3:H-1:	C-3:C-3:H-1:	C(CCH)(COO)(OH)	O(CCC)(H)	C(CC[6a]O)(CCO)(H)	C(CCH)(COO)(OH)	O(CCC)(H)	C(CC[6a]O)(CCO)(H)	123.6160	0.000	1	123.6160	0.000	1	117.9038	10.606	110	119.0650	12.483	239	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:1:	3:3:1:	C-3:C-3:O-2:	C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(OH)	O(CCC)(H)	C(CCH)(CCO)(H)	C(CCH)2(OH)	O(CCC)(H)	C(CCH)(CCO)(H)	116.8420	3.471	12	116.8420	12.046	12	117.9038	10.606	110	119.0650	12.483	239	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:1:	3:3:1:	C-3:C-3:O-2:	C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(OH)	O(CCC)(H)	C(CCO)(COO)(H)	C(CCH)2(OH)	O(CCC)(H)	C(CCO)(COO)(H)	122.4880	0.000	1	122.4880	0.000	1	117.9038	10.606	110	119.0650	12.483	239	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:1:	3:3:1:	C-3:C-3:O-2:	C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(OH)	O(CCC)(H)	C(CCO)2(H)	C(CCH)2(OH)	O(CCC)(H)	C(CCO)2(H)	120.9776	0.441	14	120.9776	0.195	14	117.9038	10.606	110	119.0650	12.483	239	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:1:	3:3:1:	C-3:C-3:O-2:	C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(OH)	O(CCC)(H)	C(CC[5a]H)(CCO)(H)	C(CCH)2(OH)	O(CCC)(H)	C(CC[5a]H)(CCO)(H)	117.1217	1.054	3	117.1217	1.112	3	117.9038	10.606	110	119.0650	12.483	239	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:1:	3:3:1:	C-3:C-3:O-2:	C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(OH)	O(CCC)(H)	C(CC[6a]H)(CCO)(H)	C(CCH)2(OH)	O(CCC)(H)	C(CC[6a]H)(CCO)(H)	116.5718	1.099	20	116.5718	1.209	20	117.9038	10.606	110	119.0650	12.483	239	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:1:	3:3:1:	C-3:C-3:O-2:	C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(OH)	O(CCC)(H)	C(CC[6a]O)(CCO)(H)	C(CCH)2(OH)	O(CCC)(H)	C(CC[6a]O)(CCO)(H)	121.3336	0.563	8	121.3336	0.317	8	117.9038	10.606	110	119.0650	12.483	239	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:1:	3:3:1:	C-3:C-3:O-2:	C-3:H-1:	C-3:C-3:H-1:	C(CC[6]H)(CCH)(OH)	O(CCC)(H)	C(CCH)(CCO)(H)	C(CC[6]H)(CCH)(OH)	O(CCC)(H)	C(CCH)(CCO)(H)	115.6450	0.813	9	115.6450	0.660	9	117.9038	10.606	110	119.0650	12.483	239	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:1:	3:3:1:	C-3:C-3:O-2:	C-3:H-1:	C-3:C-3:H-1:	C(CC[6a]C)(CCH)(OH)	O(CCC)(H)	C(CCH)(CCO)(H)	C(CC[6a]C)(CCH)(OH)	O(CCC)(H)	C(CCH)(CCO)(H)	110.5580	0.000	1	110.5580	0.000	1	117.9038	10.606	110	119.0650	12.483	239	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:1:	3:3:1:	C-3:C-3:O-2:	C-3:H-1:	C-3:C-3:O-1:	C(CBrC)(CCO)(OH)	O(CCC)(H)	C(CBrC)(CCO)(O)	C(CBrC)(CCO)(OH)	O(CCC)(H)	C(CBrC)(CCO)(O)	113.0980	0.000	1	113.0980	0.000	1	114.0919	0.644	19	119.0650	12.483	239	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:1:	3:3:1:	C-3:C-3:O-2:	C-3:H-1:	C-3:C-3:O-1:	C(CCC)(CCO)(OH)	O(CCC)(H)	C(CCO)2(O)	C(CCC)(CCO)(OH)	O(CCC)(H)	C(CCO)2(O)	114.1570	0.000	1	114.1570	0.000	1	114.0919	0.644	19	119.0650	12.483	239	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:1:	3:3:1:	C-3:C-3:O-2:	C-3:H-1:	C-3:C-3:O-1:	C(CCH)(CCO)(OH)	O(CCC)(H)	C(CCH)(CCO)(O)	C(CCH)(CCO)(OH)	O(CCC)(H)	C(CCH)(CCO)(O)	114.5785	0.479	11	114.5785	0.229	11	114.0919	0.644	19	119.0650	12.483	239	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:1:	3:3:1:	C-3:C-3:O-2:	C-3:H-1:	C-3:C-3:O-1:	C(CCH)(CCO)(OH)	O(CCC)(H)	C(CCI)(CCO)(O)	C(CCH)(CCO)(OH)	O(CCC)(H)	C(CCI)(CCO)(O)	112.6780	0.000	1	112.6780	0.000	1	114.0919	0.644	19	119.0650	12.483	239	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:1:	3:3:1:	C-3:C-3:O-2:	C-3:H-1:	C-3:C-3:O-1:	C(CCH)(CCO)(OH)	O(CCC)(H)	C(CCN)(CCO)(O)	C(CCH)(CCO)(OH)	O(CCC)(H)	C(CCN)(CCO)(O)	113.7080	0.000	1	113.7080	0.000	1	114.0919	0.644	19	119.0650	12.483	239	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:1:	3:3:1:	C-3:C-3:O-2:	C-3:H-1:	C-3:C-3:O-1:	C(CCH)(CCO)(OH)	O(CCC)(H)	C(CCO)2(O)	C(CCH)(CCO)(OH)	O(CCC)(H)	C(CCO)2(O)	113.5210	0.937	3	113.5210	0.877	3	114.0919	0.644	19	119.0650	12.483	239	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:1:	3:3:1:	C-3:C-3:O-2:	C-3:H-1:	C-3:C-3:O-1:	C(CClC)(CCO)(OH)	O(CCC)(H)	C(CCH)(CCO)(O)	C(CClC)(CCO)(OH)	O(CCC)(H)	C(CCH)(CCO)(O)	113.1790	0.000	1	113.1790	0.000	1	114.0919	0.644	19	119.0650	12.483	239	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:1:	3:3:1:	C-3:C-3:O-2:	C-3:H-1:	C[5a]-3:C-3:H-1:	C(CC[5a]H)(COO)(OH)	O(CCC)(H)	C(C[5a]C[5a,6a]C[5a])(CCO)(H)	C(CC[5a]H)(COO)(OH)	O(CCC)(H)	C(C[5a]C[5a,6a]C[5a])(CCO)(H)	121.3485	0.237	2	121.3485	0.056	2	121.3485	0.056	2	119.0650	12.483	239	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:1:	3:3:1:	C-3:C-3:O-2:	C-3:H-1:	C[6]-3:C-3:H-1:	C(CC[6]H)(CCH)(OH)	O(CCC)(H)	C(C[6]C[6]2)(CCO)(H)	C(CC[6]H)(CCH)(OH)	O(CCC)(H)	C(C[6]C[6]2)(CCO)(H)	125.2488	0.644	9	125.2488	0.414	9	125.2488	0.414	9	119.0650	12.483	239	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:1:	3:3:1:	C-3:C-3:O-2:	C-3:H-1:	C[6a]-3:C-3:H-1:	C(CC[6a]H)(CCO)(OH)	O(CCC)(H)	C(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]H)(CCO)(OH)	O(CCC)(H)	C(C[6a]C[6a]2)(CCO)(H)	121.7960	0.000	1	121.7960	0.000	1	122.8566	0.712	7	119.0650	12.483	239	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:1:	3:3:1:	C-3:C-3:O-2:	C-3:H-1:	C[6a]-3:C-3:H-1:	C(CC[6a]H)(CC[6a]O)(OH)	O(CCC)(H)	C(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]H)(CC[6a]O)(OH)	O(CCC)(H)	C(C[6a]C[6a]2)(CCO)(H)	123.0260	0.000	1	123.0260	0.000	1	122.8566	0.712	7	119.0650	12.483	239	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:1:	3:3:1:	C-3:C-3:O-2:	C-3:H-1:	C[6a]-3:C-3:H-1:	C(CC[6a]H)(COO)(OH)	O(CCC)(H)	C(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]H)(COO)(OH)	O(CCC)(H)	C(C[6a]C[6a]2)(CCO)(H)	123.0348	0.860	5	123.0348	0.739	5	122.8566	0.712	7	119.0650	12.483	239	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:1:	3:3:1:	C-3:C-3:O-2:	C-3:H-1:	C[6a]-3:C-3:O-1:	C(CC[6a]H)(CC[6a]O)(OH)	O(CCC)(H)	C(C[6a]C[6a]2)(CCO)(O)	C(CC[6a]H)(CC[6a]O)(OH)	O(CCC)(H)	C(C[6a]C[6a]2)(CCO)(O)	115.4930	0.000	1	115.4930	0.000	1	115.4930	0.000	1	119.0650	12.483	239	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:1:	3:3:1:	C[5]-3:C-3:O-2:	C-3:H-1:	C-3:C-3:H-1:	C(C[5]C[5]2)(CCH)(OH)	O(CC[5]C)(H)	C(CC[5]O)(CCH)(H)	C(C[5]C[5]2)(CCH)(OH)	O(CC[5]C)(H)	C(CC[5]O)(CCH)(H)	117.5150	0.000	1	117.5150	0.000	1	116.0826	1.893	12	119.0650	12.483	239	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:1:	3:3:1:	C[5]-3:C-3:O-2:	C-3:H-1:	C-3:C-3:H-1:	C(C[5]C[5]2)(CCH)(OH)	O(CC[5]C)(H)	C(CC[5]O)(CCN)(H)	C(C[5]C[5]2)(CCH)(OH)	O(CC[5]C)(H)	C(CC[5]O)(CCN)(H)	117.9195	0.153	2	117.9195	0.024	2	116.0826	1.893	12	119.0650	12.483	239	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:1:	3:3:1:	C[5]-3:C-3:O-2:	C-3:H-1:	C-3:C-3:H-1:	C(C[5]C[5]2)(CCH)(OH)	O(CC[5]C)(H)	C(CC[6a]H)(CC[5]O)(H)	C(C[5]C[5]2)(CCH)(OH)	O(CC[5]C)(H)	C(CC[6a]H)(CC[5]O)(H)	115.5152	1.066	9	115.5152	1.137	9	116.0826	1.893	12	119.0650	12.483	239	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:1:	3:3:1:	C[5a]-3:C-3:O-2:	C-3:H-1:	C-3:C-3:H-1:	C(C[5a]C[5a]O[5a])(CCH)(OH)	O(CC[5a]C)(H)	C(CC[5a]O)2(H)	C(C[5a]C[5a]O[5a])(CCH)(OH)	O(CC[5a]C)(H)	C(CC[5a]O)2(H)	122.4030	0.000	1	122.4030	0.000	1	122.4030	0.000	1	119.0650	12.483	239	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:1:	3:3:1:	C[5a]-3:C-3:O-2:	C-3:H-1:	C[6a]-3:C-3:H-1:	C(C[5a]C[5a]O[5a])(CC[6a]H)(OH)	O(CC[5a]C)(H)	C(C[6a]C[6a]2)(CC[5a]O)(H)	C(C[5a]C[5a]O[5a])(CC[6a]H)(OH)	O(CC[5a]C)(H)	C(C[6a]C[6a]2)(CC[5a]O)(H)	122.0630	0.000	1	122.0630	0.000	1	122.0630	0.000	1	119.0650	12.483	239	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:1:	3:3:1:	C[6]-3:C-3:O-2:	C-3:H-1:	C-3:C-3:H-1:	C(C[6]C[6]2)(CCH)(OH)	O(CC[6]C)(H)	C(CC[6a]H)(CC[6]O)(H)	C(C[6]C[6]2)(CCH)(OH)	O(CC[6]C)(H)	C(CC[6a]H)(CC[6]O)(H)	115.9525	2.131	2	115.9525	4.539	2	115.9525	4.539	2	119.0650	12.483	239	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:1:	3:3:1:	C[6a]-3:C-3:O-2:	C-3:H-1:	C-3:C-3:H-1:	C(C[6a]C[6a,6a]2)(CCH)(OH)	O(CC[6a]C)(H)	C(CC[6a]O)(CSS)(H)	C(C[6a]C[6a,6a]2)(CCH)(OH)	O(CC[6a]C)(H)	C(CC[6a]O)(CSS)(H)	124.2240	0.000	1	124.2240	0.000	1	121.4980	1.294	70	119.0650	12.483	239	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:1:	3:3:1:	C[6a]-3:C-3:O-2:	C-3:H-1:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OH)	O(CC[6a]C)(H)	C(CC[5a]O)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(OH)	O(CC[6a]C)(H)	C(CC[5a]O)(CC[6a]O)(H)	120.6806	0.584	5	120.6806	0.341	5	121.4980	1.294	70	119.0650	12.483	239	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:1:	3:3:1:	C[6a]-3:C-3:O-2:	C-3:H-1:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OH)	O(CC[6a]C)(H)	C(CC[6a]O)(CCN)(H)	C(C[6a]C[6a]2)(CCH)(OH)	O(CC[6a]C)(H)	C(CC[6a]O)(CCN)(H)	123.1850	0.066	2	123.1850	0.004	2	121.4980	1.294	70	119.0650	12.483	239	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:1:	3:3:1:	C[6a]-3:C-3:O-2:	C-3:H-1:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OH)	O(CC[6a]C)(H)	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(OH)	O(CC[6a]C)(H)	C(CC[6a]O)(CCO)(H)	121.3778	0.723	11	121.3778	0.522	11	121.4980	1.294	70	119.0650	12.483	239	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:1:	3:3:1:	C[6a]-3:C-3:O-2:	C-3:H-1:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OH)	O(CC[6a]C)(H)	C(CC[6a]O)(CC[5]O)(H)	C(C[6a]C[6a]2)(CCH)(OH)	O(CC[6a]C)(H)	C(CC[6a]O)(CC[5]O)(H)	120.9457	0.843	7	120.9457	0.711	7	121.4980	1.294	70	119.0650	12.483	239	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:1:	3:3:1:	C[6a]-3:C-3:O-2:	C-3:H-1:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OH)	O(CC[6a]C)(H)	C(CC[6a]O)(CC[6a]S)(H)	C(C[6a]C[6a]2)(CCH)(OH)	O(CC[6a]C)(H)	C(CC[6a]O)(CC[6a]S)(H)	122.7920	0.000	1	122.7920	0.000	1	121.4980	1.294	70	119.0650	12.483	239	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:1:	3:3:1:	C[6a]-3:C-3:O-2:	C-3:H-1:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OH)	O(CC[6a]C)(H)	C(CC[6a]O)(CNS)(H)	C(C[6a]C[6a]2)(CCH)(OH)	O(CC[6a]C)(H)	C(CC[6a]O)(CNS)(H)	124.1210	0.000	1	124.1210	0.000	1	121.4980	1.294	70	119.0650	12.483	239	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:1:	3:3:1:	C[6a]-3:C-3:O-2:	C-3:H-1:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OH)	O(CC[6a]C)(H)	C(CC[6a]O)(COO)(H)	C(C[6a]C[6a]2)(CCH)(OH)	O(CC[6a]C)(H)	C(CC[6a]O)(COO)(H)	122.5240	0.161	3	122.5240	0.026	3	121.4980	1.294	70	119.0650	12.483	239	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:1:	3:3:1:	C[6a]-3:C-3:O-2:	C-3:H-1:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OH)	O(CC[6a]C)(H)	C(CC[6a]O)(CSS)(H)	C(C[6a]C[6a]2)(CCH)(OH)	O(CC[6a]C)(H)	C(CC[6a]O)(CSS)(H)	123.7390	0.518	4	123.7390	0.268	4	121.4980	1.294	70	119.0650	12.483	239	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:1:	3:3:1:	C[6a]-3:C-3:O-2:	C-3:H-1:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OH)	O(CC[6a]C)(H)	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCH)(OH)	O(CC[6a]C)(H)	C(CC[6a]O)2(H)	121.0234	0.758	32	121.0234	0.575	32	121.4980	1.294	70	119.0650	12.483	239	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:1:	3:3:1:	C[6a]-3:C-3:O-2:	C-3:H-1:	C-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(CCH)(OH)	O(CC[6a]C)(H)	C(CC[5a]O)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(CCH)(OH)	O(CC[6a]C)(H)	C(CC[5a]O)(CC[6a]O)(H)	122.1900	0.000	1	122.1900	0.000	1	121.4980	1.294	70	119.0650	12.483	239	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:1:	3:3:1:	C[6a]-3:C-3:O-2:	C-3:H-1:	C-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(CCH)(OH)	O(CC[6a]C)(H)	C(CC[6a]O)(CC[5]O)(H)	C(C[6a]C[6a]N[6a])(CCH)(OH)	O(CC[6a]C)(H)	C(CC[6a]O)(CC[5]O)(H)	122.4190	0.000	1	122.4190	0.000	1	121.4980	1.294	70	119.0650	12.483	239	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:1:	3:3:1:	C[6a]-3:C-3:O-2:	C-3:H-1:	C-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(CCH)(OH)	O(CC[6a]C)(H)	C(CC[6a]O)2(H)	C(C[6a]C[6a]N[6a])(CCH)(OH)	O(CC[6a]C)(H)	C(CC[6a]O)2(H)	122.2910	0.000	1	122.2910	0.000	1	121.4980	1.294	70	119.0650	12.483	239	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:1:	3:3:1:	C[6a]-3:C-3:O-2:	C-3:H-1:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(OH)	O(CC[6a]C)(H)	C(C[6a]C[6a,6a]N[6a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[6a]H)(OH)	O(CC[6a]C)(H)	C(C[6a]C[6a,6a]N[6a])(CC[6a]O)(H)	122.6750	0.000	1	122.6750	0.000	1	122.6750	0.000	1	119.0650	12.483	239	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:1:	3:3:1:	N-3:C-3:O-2:	C-3:H-1:	C-3:C-3:H-1:	C(NC[6]H)(CCH)(OH)	O(CCN)(H)	C(CHH)(CNO)(H)	C(NC[6]H)(CCH)(OH)	O(CCN)(H)	C(CHH)(CNO)(H)	120.4925	3.842	2	120.4925	14.759	2	120.4925	14.759	2	119.0650	12.483	239	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:1:	3:3:2:	C-3:C-3:O-2:	C-3:H-1:	C-3:C-3:O-2:	C(CCH)(CCO)(OH)	O(CCC)(H)	C(CCH)(CCO)(OC)	C(CCH)(CCO)(OH)	O(CCC)(H)	C(CCH)(CCO)(OC)	114.1583	0.353	3	114.1583	0.125	3	114.9188	7.063	15	117.7353	8.484	44	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:1:	3:3:2:	C-3:C-3:O-2:	C-3:H-1:	C-3:C-3:O-2:	C(CCH)(CCO)(OH)	O(CCC)(H)	C(CCH)(CCO)(OH)	C(CCH)(CCO)(OH)	O(CCC)(H)	C(CCH)(CCO)(OH)	115.1089	2.961	12	115.1089	8.770	12	114.9188	7.063	15	117.7353	8.484	44	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:1:	3:3:2:	C-3:C-3:O-2:	C-3:H-1:	C[6a]-3:C-3:O-2:	C(CC[6a]O)2(OH)	O(CCC)(H)	C(C[6a]C[6a]2)(CCO)(ONi)	C(CC[6a]O)2(OH)	O(CCC)(H)	C(C[6a]C[6a]2)(CCO)(ONi)	117.4548	0.922	4	117.4548	0.850	4	117.4548	0.850	4	117.7353	8.484	44	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:1:	3:3:2:	C-3:N-3:O-2:	C-3:H-1:	C-3:C-3:C-2:	C(CCC)(NCC)(OH)	O(CCN)(H)	C(CNO)2(CN)	C(CCC)(NCC)(OH)	O(CCN)(H)	C(CNO)2(CN)	118.3172	0.344	14	118.3172	0.118	14	119.2220	2.621	21	117.7353	8.484	44	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:1:	3:3:2:	C-3:N-3:O-2:	C-3:H-1:	C-3:C-3:C-2:	C(CCC)(NCH)(OH)	O(CCN)(H)	C(CNO)(CNS)(CN)	C(CCC)(NCH)(OH)	O(CCN)(H)	C(CNO)(CNS)(CN)	122.7307	0.125	3	122.7307	0.016	3	119.2220	2.621	21	117.7353	8.484	44	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:1:	3:3:2:	C-3:N-3:O-2:	C-3:H-1:	C-3:C-3:C-2:	C(CCC)(NCH)(OH)	O(CCN)(H)	C(CNO)2(CN)	C(CCC)(NCH)(OH)	O(CCN)(H)	C(CNO)2(CN)	119.7572	0.663	4	119.7572	0.440	4	119.2220	2.621	21	117.7353	8.484	44	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:1:	3:3:2:	C[6a]-3:C-3:O-2:	C-3:H-1:	C[6a]-3:C-3:C-2:	C(C[6a]C[6a]2)(CC[6a]C)(OH)	O(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]O)(CN)	C(C[6a]C[6a]2)(CC[6a]C)(OH)	O(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]O)(CN)	123.0780	0.000	1	123.0780	0.000	1	123.0780	0.000	1	117.7353	8.484	44	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:1:	3:3:2:	N-3:C-3:O-2:	C-3:H-1:	C-3:C-3:C-2:	C(NC[6a]H)(CCC)(OH)	O(CCN)(H)	C(CNO)2(CN)	C(NC[6a]H)(CCC)(OH)	O(CCN)(H)	C(CNO)2(CN)	120.0047	0.786	3	120.0047	0.618	3	120.0047	0.618	3	117.7353	8.484	44	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:1:	3:3:3:	C-3:C-3:O-2:	C-3:H-1:	C-3:C-3:C-3:	C(CCC)(CCH)(OH)	O(CCC)(H)	C(CCO)2(COO)	C(CCC)(CCH)(OH)	O(CCC)(H)	C(CCO)2(COO)	120.6750	0.000	1	120.6750	0.000	1	119.0077	3.988	9	120.1517	11.360	25	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:1:	3:3:3:	C-3:C-3:O-2:	C-3:H-1:	C-3:C-3:C-3:	C(CCC)(CCH)(OH)	O(CCC)(H)	C(CC[6a]O)(CCO)2	C(CCC)(CCH)(OH)	O(CCC)(H)	C(CC[6a]O)(CCO)2	121.3910	0.047	2	121.3910	0.002	2	119.0077	3.988	9	120.1517	11.360	25	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:1:	3:3:3:	C-3:C-3:O-2:	C-3:H-1:	C-3:C-3:C-3:	C(CCC)(CCO)(OH)	O(CCC)(H)	C(CCC)(CCO)(COO)	C(CCC)(CCO)(OH)	O(CCC)(H)	C(CCC)(CCO)(COO)	116.3440	0.000	1	116.3440	0.000	1	119.0077	3.988	9	120.1517	11.360	25	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:1:	3:3:3:	C-3:C-3:O-2:	C-3:H-1:	C-3:C-3:C-3:	C(CCC)(CHP)(OH)	O(CCC)(H)	C(CCO)2(COO)	C(CCC)(CHP)(OH)	O(CCC)(H)	C(CCO)2(COO)	116.7490	0.031	2	116.7490	0.001	2	119.0077	3.988	9	120.1517	11.360	25	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:1:	3:3:3:	C-3:C-3:O-2:	C-3:H-1:	C-3:C-3:C-3:	C(CCC)2(OH)	O(CCC)(H)	C(CC[6,6]O)(CCO)2	C(CCC)2(OH)	O(CCC)(H)	C(CC[6,6]O)(CCO)2	119.6600	0.000	1	119.6600	0.000	1	119.0077	3.988	9	120.1517	11.360	25	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:1:	3:3:3:	C-3:C-3:O-2:	C-3:H-1:	C-3:C-3:C-3:	C(CCC)2(OH)	O(CCC)(H)	C(CC[6]O)(CCO)2	C(CCC)2(OH)	O(CCC)(H)	C(CC[6]O)(CCO)2	119.1870	0.000	1	119.1870	0.000	1	119.0077	3.988	9	120.1517	11.360	25	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:1:	3:3:3:	C-3:C-3:O-2:	C-3:H-1:	C-3:C-3:C-3:	C(CC[6a]C)(CCC)(OH)	O(CCC)(H)	C(CCO)3	C(CC[6a]C)(CCC)(OH)	O(CCC)(H)	C(CCO)3	118.9230	0.000	1	118.9230	0.000	1	119.0077	3.988	9	120.1517	11.360	25	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:1:	3:3:3:	C-3:C-3:O-2:	C-3:H-1:	C[6a]-3:C-3:C-3:	C(CC[6a]C)(CCC)(OH)	O(CCC)(H)	C(C[6a]C[6a]2)(CCO)2	C(CC[6a]C)(CCC)(OH)	O(CCC)(H)	C(C[6a]C[6a]2)(CCO)2	112.0280	0.000	1	112.0280	0.000	1	117.1970	53.437	2	120.1517	11.360	25	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:1:	3:3:3:	C-3:C-3:O-2:	C-3:H-1:	C[6a]-3:C-3:C-3:	C(CC[6a]C)(CCH)(OH)	O(CCC)(H)	C(C[6a]C[6a]2)(CC[6a]O)(CCO)	C(CC[6a]C)(CCH)(OH)	O(CCC)(H)	C(C[6a]C[6a]2)(CC[6a]O)(CCO)	122.3660	0.000	1	122.3660	0.000	1	117.1970	53.437	2	120.1517	11.360	25	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:1:	3:3:3:	C-3:C-3:O-2:	C-3:H-1:	N-3:C-3:N-3:	C(CNN)2(OH)	O(CCC)(H)	C(NC[6a]2)(CCO)(NCC)	C(CNN)2(OH)	O(CCC)(H)	C(NC[6a]2)(CCO)(NCC)	114.5935	4.052	2	114.5935	16.422	2	114.5935	16.422	2	120.1517	11.360	25	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:1:	3:3:3:	C[6a]-3:C-3:O-2:	C-3:H-1:	C-3:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(OH)	O(CC[6a]C)(H)	C(CC[5a]O)(CC[6a]C)(CC[6a]O)	C(C[6a]C[6a]2)(CCC)(OH)	O(CC[6a]C)(H)	C(CC[5a]O)(CC[6a]C)(CC[6a]O)	121.3415	0.609	2	121.3415	0.371	2	121.3530	0.186	3	120.1517	11.360	25	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:1:	3:3:3:	C[6a]-3:C-3:O-2:	C-3:H-1:	C-3:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(OH)	O(CC[6a]C)(H)	C(CC[6a]C)(CC[6a]O)2	C(C[6a]C[6a]2)(CCC)(OH)	O(CC[6a]C)(H)	C(CC[6a]C)(CC[6a]O)2	121.3760	0.000	1	121.3760	0.000	1	121.3530	0.186	3	120.1517	11.360	25	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:1:	3:3:3:	C[6a]-3:C-3:O-2:	C-3:H-1:	C-3:C-3:N-3:	C(C[6a]C[6a]2)(CCN)(OH)	O(CC[6a]C)(H)	C(CC[6a]O)(CNO)(NCC)	C(C[6a]C[6a]2)(CCN)(OH)	O(CC[6a]C)(H)	C(CC[6a]O)(CNO)(NCC)	121.1340	0.000	1	121.1340	0.000	1	121.1340	0.000	1	120.1517	11.360	25	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:1:	3:3:3:	C[6a]-3:C-3:O-2:	C-3:H-1:	C[5a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[5a]C)(OH)	O(CC[6a]C)(H)	C(C[5a]C[5a]2)(CC[6a]O)(CNO)	C(C[6a]C[6a]2)(CC[5a]C)(OH)	O(CC[6a]C)(H)	C(C[5a]C[5a]2)(CC[6a]O)(CNO)	122.3640	0.000	1	122.3640	0.000	1	122.3640	0.000	1	120.1517	11.360	25	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:1:	3:3:3:	C[6a]-3:C-3:O-2:	C-3:H-1:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(OH)	O(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]O)(COS)	C(C[6a]C[6a]2)(CC[6a]C)(OH)	O(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]O)(COS)	121.6060	0.000	1	121.6060	0.000	1	121.8807	0.243	3	120.1517	11.360	25	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:1:	3:3:3:	C[6a]-3:C-3:O-2:	C-3:H-1:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(OH)	O(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]O)2	C(C[6a]C[6a]2)(CC[6a]C)(OH)	O(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]O)2	121.5860	0.000	1	121.5860	0.000	1	121.8807	0.243	3	120.1517	11.360	25	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:1:	3:3:3:	C[6a]-3:C-3:O-2:	C-3:H-1:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(OH)	O(CC[6a]C)(H)	C(C[6a]C[6a]N[6a])(CC[6a]O)(COO)	C(C[6a]C[6a]2)(CC[6a]C)(OH)	O(CC[6a]C)(H)	C(C[6a]C[6a]N[6a])(CC[6a]O)(COO)	122.4500	0.000	1	122.4500	0.000	1	121.8807	0.243	3	120.1517	11.360	25	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:1:	3:3:3:	C[6a]-3:C-3:O-2:	C-3:H-1:	N[5a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CN[5a]C)(OH)	O(CC[6a]C)(H)	C(N[5a]C[5a,6a]N[5a])(CC[6a]O)(CNS)	C(C[6a]C[6a]2)(CN[5a]C)(OH)	O(CC[6a]C)(H)	C(N[5a]C[5a,6a]N[5a])(CC[6a]O)(CNS)	123.5855	0.292	2	123.5855	0.085	2	123.5855	0.085	2	120.1517	11.360	25	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:1:	3:3:3:	C[6a]-3:C-3:O-2:	C-3:H-1:	N[6]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]N[6])(OH)	O(CC[6a]C)(H)	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(CC[6a]O)	C(C[6a]C[6a]2)(CC[6a]N[6])(OH)	O(CC[6a]C)(H)	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(CC[6a]O)	124.3865	0.549	2	124.3865	0.302	2	124.3865	0.302	2	120.1517	11.360	25	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:1:	3:3:4:	C[6a]-3:C-3:O-2:	C-3:H-1:	C[5]-3:C-3:Si-4:	C(C[6a]C[6a]2)(CC[5]Si)(OH)	O(CC[6a]C)(H)	C(C[5]C[5,6a]C[5])(CC[6a]O)(SiC3)	C(C[6a]C[6a]2)(CC[5]Si)(OH)	O(CC[6a]C)(H)	C(C[5]C[5,6a]C[5])(CC[6a]O)(SiC3)	123.8560	0.000	1	123.8560	0.000	1	123.8560	0.000	1	123.8560	0.000	1	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:1:	3:4:3:	C-3:C-3:O-2:	C-3:H-1:	C-3:C-4:C-3:	C(CCC)2(OH)	O(CCC)(H)	C(CC[6,6]H)(CCCH)(CCO)	C(CCC)2(OH)	O(CCC)(H)	C(CC[6,6]H)(CCCH)(CCO)	111.6900	0.000	1	111.6900	0.000	1	112.7025	2.050	2	113.0080	0.809	4	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:1:	3:4:3:	C-3:C-3:O-2:	C-3:H-1:	C-3:C-4:C-3:	C(CCC)2(OH)	O(CCC)(H)	C(CC[6]H)(CCCH)(CCO)	C(CCC)2(OH)	O(CCC)(H)	C(CC[6]H)(CCCH)(CCO)	113.7150	0.000	1	113.7150	0.000	1	112.7025	2.050	2	113.0080	0.809	4	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:1:	3:4:3:	C[6]-3:C-3:O-2:	C-3:H-1:	C-3:C-4:C-3:	C(C[6]C[6]2)(CCC)(OH)	O(CC[6]C)(H)	C(CC[6]O)(CH3)(CCC)	C(C[6]C[6]2)(CCC)(OH)	O(CC[6]C)(H)	C(CC[6]O)(CH3)(CCC)	113.3135	0.062	2	113.3135	0.004	2	113.3135	0.004	2	113.0080	0.809	4	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:1:	4:3:1:	C-3:C-3:O-2:	C-3:H-1:	C-4:C-3:O-1:	C(CC[6]H)(CCO)(OH)	O(CCC)(H)	C(CH3)(CCO)(O)	C(CC[6]H)(CCO)(OH)	O(CCC)(H)	C(CH3)(CCO)(O)	113.2160	0.000	1	113.2160	0.000	1	113.9370	1.040	2	115.8828	9.791	6	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:1:	4:3:1:	C-3:C-3:O-2:	C-3:H-1:	C-4:C-3:O-1:	C(CC[6a]H)(CCO)(OH)	O(CCC)(H)	C(CH3)(CCO)(O)	C(CC[6a]H)(CCO)(OH)	O(CCC)(H)	C(CH3)(CCO)(O)	114.6580	0.000	1	114.6580	0.000	1	113.9370	1.040	2	115.8828	9.791	6	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:1:	4:3:1:	C-3:C-3:O-2:	C-3:H-1:	C[6]-4:C-3:H-1:	C(CC[6]H)(CCO)(OH)	O(CCC)(H)	C(C[6]C[6,6]C[6]H)(CCO)(H)	C(CC[6]H)(CCO)(OH)	O(CCC)(H)	C(C[6]C[6,6]C[6]H)(CCO)(H)	120.9520	0.000	1	120.9520	0.000	1	120.9520	0.000	1	115.8828	9.791	6	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:1:	4:3:1:	C-3:C-3:O-2:	C-3:H-1:	P-4:C-3:H-1:	C(CCC)(CHP)(OH)	O(CCC)(H)	C(PC[6a]3)(CCO)(H)	C(CCC)(CHP)(OH)	O(CCC)(H)	C(PC[6a]3)(CCO)(H)	116.9450	1.220	2	116.9450	1.490	2	116.9450	1.490	2	115.8828	9.791	6	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:1:	4:3:1:	C[5]-3:C-3:O-2:	C-3:H-1:	C-4:C-3:O-1:	C(C[5]C[5,6,6]C[5])(CCO)(OH)	O(CC[5]C)(H)	C(CC[6]HH)(CC[5]O)(O)	C(C[5]C[5,6,6]C[5])(CCO)(OH)	O(CC[5]C)(H)	C(CC[6]HH)(CC[5]O)(O)	112.5810	0.000	1	112.5810	0.000	1	112.5810	0.000	1	115.8828	9.791	6	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:1:	4:3:3:	C-3:C-3:O-2:	C-3:H-1:	P-4:C-3:C-3:	C(CCH)(CCP)(OH)	O(CCC)(H)	C(PC[6a]3)(COsH)(CCO)	C(CCH)(CCP)(OH)	O(CCC)(H)	C(PC[6a]3)(COsH)(CCO)	114.2860	0.000	2	114.2860	0.000	2	114.2860	0.000	2	120.3757	24.339	6	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:1:	4:3:3:	C-3:C-3:O-2:	C-3:H-1:	S-4:C-3:C-3:	C(CCH)(CCS)(OH)	O(CCC)(H)	C(SC[6a]OO)(CCH)(CCO)	C(CCH)(CCS)(OH)	O(CCC)(H)	C(SC[6a]OO)(CCH)(CCO)	125.0310	0.236	2	125.0310	0.056	2	125.0310	0.056	2	120.3757	24.339	6	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:1:	4:3:3:	C-3:N-3:O-2:	C-3:H-1:	P-4:C-3:C-3:	C(CCP)(NCH)(OH)	O(CCN)(H)	C(PO3)(CNO)(COO)	C(CCP)(NCH)(OH)	O(CCN)(H)	C(PO3)(CNO)(COO)	121.8920	0.000	1	121.8920	0.000	1	121.8920	0.000	1	120.3757	24.339	6	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:1:	4:3:3:	N-3:C-3:O-2:	C-3:H-1:	P-4:C-3:C-3:	C(NC[6a]H)(CCP)(OH)	O(CCN)(H)	C(PO3)(CNO)(COO)	C(NC[6a]H)(CCP)(OH)	O(CCN)(H)	C(PO3)(CNO)(COO)	121.7280	0.000	1	121.7280	0.000	1	121.7280	0.000	1	120.3757	24.339	6	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:3:	2:3:1:	C-3:C-3:O-2:	C-3:C-3:	N-2:C-3:H-1:	C(CC[6a]H)(CHN)(OC)	O(CCC)(CCO)	C(NC[5a])(CCO)(H)	C(CC[6a]H)(CHN)(OC)	O(CCC)(CCO)	C(NC[5a])(CCO)(H)	116.6720	0.000	1	116.6720	0.000	1	116.6720	0.000	1	116.6720	0.000	1	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:3:	3:1:1:	C-3:C-3:O-2:	C-3:C-3:	C-3:Br-1:H-1:	C(CBrH)(CCH)(OC)	O(CCC)(CCO)	C(CCO)(Br)(H)	C(CBrH)(CCH)(OC)	O(CCC)(CCO)	C(CCO)(Br)(H)	119.5530	0.000	1	119.5530	0.000	1	119.5530	0.000	1	117.4685	8.690	2	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:3:	3:1:1:	C-3:C-3:O-2:	C-3:C-3:	C-3:H-1:H-1:	C(CCC)(CHH)(OC)	O(CC[6a]O)(CCC)	C(CCO)(H)2	C(CCC)(CHH)(OC)	O(CC[6a]O)(CCC)	C(CCO)(H)2	115.3840	0.000	1	115.3840	0.000	1	115.3840	0.000	1	117.4685	8.690	2	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:3:	3:2:1:	C-3:C-3:O-2:	C-3:C-3:	C-3:O-2:O-1:	C(CCH)(COO)(OC)	O(CC[5]H)(CCC)	C(CCO)(OC)(O)	C(CCH)(COO)(OC)	O(CC[5]H)(CCC)	C(CCO)(OC)(O)	107.5050	0.000	1	107.5050	0.000	1	112.4777	13.874	6	113.1768	17.832	9	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:3:	3:2:1:	C-3:C-3:O-2:	C-3:C-3:	C-3:O-2:O-1:	C(CCH)(COO)(OC)	O(CC[6a]O)(CCC)	C(CCO)(OC)(O)	C(CCH)(COO)(OC)	O(CC[6a]O)(CCC)	C(CCO)(OC)(O)	116.8320	1.424	2	116.8320	2.028	2	112.4777	13.874	6	113.1768	17.832	9	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:3:	3:2:1:	C-3:C-3:O-2:	C-3:C-3:	C-3:O-2:O-1:	C(CC[6a]H)(COO)(OC)	O(CCC)(CCN)	C(CCO)(OC)(O)	C(CC[6a]H)(COO)(OC)	O(CCC)(CCN)	C(CCO)(OC)(O)	111.1825	0.168	2	111.1825	0.028	2	112.4777	13.874	6	113.1768	17.832	9	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:3:	3:2:1:	C-3:C-3:O-2:	C-3:C-3:	C-3:O-2:O-1:	C(CC[6a]H)(COO)(OC)	O(CC[5]O)(CCC)	C(CCO)(OC)(O)	C(CC[6a]H)(COO)(OC)	O(CC[5]O)(CCC)	C(CCO)(OC)(O)	111.3320	0.000	1	111.3320	0.000	1	112.4777	13.874	6	113.1768	17.832	9	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:3:	3:2:1:	C-3:C-3:O-2:	N-3:C-3:	C-3:O-2:O-1:	C(CPdC)(COO)(ON)	O(NPdC)(CCC)	C(CCO)(OC)(O)	C(CPdC)(COO)(ON)	O(NPdC)(CCC)	C(CCO)(OC)(O)	108.0210	0.000	1	108.0210	0.000	1	108.0210	0.000	1	113.1768	17.832	9	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:3:	3:2:1:	C[6]-3:C-3:O-2:	C-3:C-3:	C-3:O-2:O-1:	C(C[6]C[6]N[6])(COO)(OC)	O(CC[6a]O)(CC[6]C)	C(CC[6]O)(OC)(O)	C(C[6]C[6]N[6])(COO)(OC)	O(CC[6a]O)(CC[6]C)	C(CC[6]O)(OC)(O)	118.0120	0.000	1	118.0120	0.000	1	118.0120	0.000	1	113.1768	17.832	9	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:3:	3:2:1:	C[6a]-3:C-3:O-2:	C-3:C-3:	C-3:C-2:H-1:	C(C[6a]C[6a]2)(CCH)(OC)	O(CC[6a]C)(CCO)	C(CC[6a]O)(CC)(H)	C(C[6a]C[6a]2)(CCH)(OC)	O(CC[6a]C)(CCO)	C(CC[6a]O)(CC)(H)	117.6920	0.000	1	117.6920	0.000	1	117.6920	0.000	1	113.1768	17.832	9	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:3:	3:2:3:	C[6a]-3:C-3:O-2:	C-3:C-3:	C-3:S-2:C-3:	C(C[6a]C[6a]2)(CCS)(OC)	O(CC[6a]C)(CCH)	C(CC[6a]O)(SC[6a])(COO)	C(C[6a]C[6a]2)(CCS)(OC)	O(CC[6a]C)(CCH)	C(CC[6a]O)(SC[6a])(COO)	120.8165	5.489	2	120.8165	30.132	2	120.8165	30.132	2	120.8165	30.132	2	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:3:	3:3:1:	C-3:C-3:O-2:	C-3:C-3:	C-3:C-3:H-1:	C(CBrH)(CCH)(OC)	O(CCC)(CCO)	C(CCH)(CCO)(H)	C(CBrH)(CCH)(OC)	O(CCC)(CCO)	C(CCH)(CCO)(H)	115.8510	0.000	1	115.8510	0.000	1	115.2301	2.114	14	117.4737	7.126	50	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:3:	3:3:1:	C-3:C-3:O-2:	C-3:C-3:	C-3:C-3:H-1:	C(CCC)(CCH)(OC)	O(CC[6a]O)(CCC)	C(CCH)(CCO)(H)	C(CCC)(CCH)(OC)	O(CC[6a]O)(CCC)	C(CCH)(CCO)(H)	114.5560	0.000	1	114.5560	0.000	1	115.2301	2.114	14	117.4737	7.126	50	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:3:	3:3:1:	C-3:C-3:O-2:	C-3:C-3:	C-3:C-3:H-1:	C(CCC)(CCH)(OC)	O(CC[6a]O)(CCC)	C(CCO)(CNO)(H)	C(CCC)(CCH)(OC)	O(CC[6a]O)(CCC)	C(CCO)(CNO)(H)	118.4780	0.000	1	118.4780	0.000	1	115.2301	2.114	14	117.4737	7.126	50	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:3:	3:3:1:	C-3:C-3:O-2:	C-3:C-3:	C-3:C-3:H-1:	C(CCH)(CCO)(OC)	O(CCC)(CCO)	C(CCH)(CCO)(H)	C(CCH)(CCO)(OC)	O(CCC)(CCO)	C(CCH)(CCO)(H)	115.3490	0.000	1	115.3490	0.000	1	115.2301	2.114	14	117.4737	7.126	50	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:3:	3:3:1:	C-3:C-3:O-2:	C-3:C-3:	C-3:C-3:H-1:	C(CCH)2(OC)	O(CCC)(CCO)	C(CCH)(CCO)(H)	C(CCH)2(OC)	O(CCC)(CCO)	C(CCH)(CCO)(H)	115.6820	1.304	2	115.6820	1.700	2	115.2301	2.114	14	117.4737	7.126	50	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:3:	3:3:1:	C-3:C-3:O-2:	C-3:C-3:	C-3:C-3:H-1:	C(CCH)2(OC)	O(CCC)(CNO)	C(CCH)(CCO)(H)	C(CCH)2(OC)	O(CCC)(CNO)	C(CCH)(CCO)(H)	114.3500	0.000	1	114.3500	0.000	1	115.2301	2.114	14	117.4737	7.126	50	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:3:	3:3:1:	C-3:C-3:O-2:	C-3:C-3:	C-3:C-3:H-1:	C(CCH)2(OC)	O(CCC)(CNO)	C(CC[6a]H)(CCO)(H)	C(CCH)2(OC)	O(CCC)(CNO)	C(CC[6a]H)(CCO)(H)	116.5780	0.000	1	116.5780	0.000	1	115.2301	2.114	14	117.4737	7.126	50	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:3:	3:3:1:	C-3:C-3:O-2:	C-3:C-3:	C-3:C-3:H-1:	C(CC[6a]C)(CCH)(OC)	O(CCC)(CCO)	C(CCH)(CCO)(H)	C(CC[6a]C)(CCH)(OC)	O(CCC)(CCO)	C(CCH)(CCO)(H)	114.1005	1.430	4	114.1005	2.044	4	115.2301	2.114	14	117.4737	7.126	50	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:3:	3:3:1:	C-3:C-3:O-2:	C-3:C-3:	C-3:C-3:H-1:	C(CC[6a]H)(CCH)(OC)	O(CC[6a]O)(CCC)	C(CCO)(CHH)(H)	C(CC[6a]H)(CCH)(OC)	O(CC[6a]O)(CCC)	C(CCO)(CHH)(H)	114.8880	0.000	1	114.8880	0.000	1	115.2301	2.114	14	117.4737	7.126	50	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:3:	3:3:1:	C-3:C-3:O-2:	C-3:C-3:	C-3:C-3:H-1:	C(CC[6a]H)(CCH)(OC)	O(CC[6a]O)(CCC)	C(CC[6a]2)(CCO)(H)	C(CC[6a]H)(CCH)(OC)	O(CC[6a]O)(CCC)	C(CC[6a]2)(CCO)(H)	115.4060	0.000	1	115.4060	0.000	1	115.2301	2.114	14	117.4737	7.126	50	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:3:	3:3:1:	C-3:C-3:O-2:	C-3:C-3:	C-3:C-3:O-1:	C(CCH)(CCO)(OC)	O(CCC)(CCO)	C(CCH)(CCO)(O)	C(CCH)(CCO)(OC)	O(CCC)(CCO)	C(CCH)(CCO)(O)	113.3690	0.000	1	113.3690	0.000	1	113.3690	0.000	1	117.4737	7.126	50	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:3:	3:3:1:	C-3:C-3:O-2:	C-3:C-3:	C[6a]-3:C-3:H-1:	C(CC[6a]H)(CCC)(OC)	O(CCC)(CCO)	C(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]H)(CCC)(OC)	O(CCC)(CCO)	C(C[6a]C[6a]2)(CCO)(H)	116.2780	0.000	1	116.2780	0.000	1	117.7486	5.367	7	117.4737	7.126	50	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:3:	3:3:1:	C-3:C-3:O-2:	C-3:C-3:	C[6a]-3:C-3:H-1:	C(CC[6a]H)(CCH)(OC)	O(CC[6a]O)(CCC)	C(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]H)(CCH)(OC)	O(CC[6a]O)(CCC)	C(C[6a]C[6a]2)(CCO)(H)	118.1225	3.770	2	118.1225	14.210	2	117.7486	5.367	7	117.4737	7.126	50	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:3:	3:3:1:	C-3:C-3:O-2:	C-3:C-3:	C[6a]-3:C-3:H-1:	C(CC[6a]H)(CHN)(OC)	O(CCC)(CCO)	C(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]H)(CHN)(OC)	O(CCC)(CCO)	C(C[6a]C[6a]2)(CCO)(H)	121.3030	0.000	1	121.3030	0.000	1	117.7486	5.367	7	117.4737	7.126	50	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:3:	3:3:1:	C-3:C-3:O-2:	C-3:C-3:	C[6a]-3:C-3:H-1:	C(CC[6a]H)(COO)(OC)	O(CCC)(CCN)	C(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]H)(COO)(OC)	O(CCC)(CCN)	C(C[6a]C[6a]2)(CCO)(H)	117.0015	0.094	2	117.0015	0.009	2	117.7486	5.367	7	117.4737	7.126	50	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:3:	3:3:1:	C-3:C-3:O-2:	C-3:C-3:	C[6a]-3:C-3:H-1:	C(CC[6a]H)(COO)(OC)	O(CC[5]O)(CCC)	C(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]H)(COO)(OC)	O(CC[5]O)(CCC)	C(C[6a]C[6a]2)(CCO)(H)	116.4110	0.000	1	116.4110	0.000	1	117.7486	5.367	7	117.4737	7.126	50	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:3:	3:3:1:	C-3:C-3:O-2:	C-3:C-3:	C[6a]-3:C-3:O-1:	C(CC[6a]C)(CC[6a]O)(OC)	O(CC[6a]O)(CCC)	C(C[6a]C[6a]2)(CCO)(O)	C(CC[6a]C)(CC[6a]O)(OC)	O(CC[6a]O)(CCC)	C(C[6a]C[6a]2)(CCO)(O)	113.2880	0.000	1	113.2880	0.000	1	113.6085	0.205	2	117.4737	7.126	50	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:3:	3:3:1:	C-3:C-3:O-2:	C-3:C-3:	C[6a]-3:C-3:O-1:	C(CC[6a]O)(CCH)(OC)	O(CCC)(COO)	C(C[6a]C[6a]2)(CCO)(O)	C(CC[6a]O)(CCH)(OC)	O(CCC)(COO)	C(C[6a]C[6a]2)(CCO)(O)	113.9290	0.000	1	113.9290	0.000	1	113.6085	0.205	2	117.4737	7.126	50	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:3:	3:3:1:	C-3:N-3:O-2:	C-3:C-3:	C[6a]-3:C-3:H-1:	C(CC[6a]H)(NCS)(OC)	O(CCN)(CNO)	C(C[6a]C[6a]2)(CNO)(H)	C(CC[6a]H)(NCS)(OC)	O(CCN)(CNO)	C(C[6a]C[6a]2)(CNO)(H)	118.6185	2.221	2	118.6185	4.933	2	118.6185	4.933	2	117.4737	7.126	50	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OC)	O(CC[6a]C)(CCC)	C(CC[6a]N)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(OC)	O(CC[6a]C)(CCC)	C(CC[6a]N)(CC[6a]O)(H)	122.6405	5.341	2	122.6405	28.524	2	121.0877	13.707	4	117.4737	7.126	50	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OC)	O(CC[6a]C)(CCO)	C(CC[6a]O)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(OC)	O(CC[6a]C)(CCO)	C(CC[6a]O)(CCH)(H)	118.3200	0.000	1	118.3200	0.000	1	121.0877	13.707	4	117.4737	7.126	50	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OC)	O(CC[6a]C)(CCO)	C(CC[6a]O)(COO)(H)	C(C[6a]C[6a]2)(CCH)(OC)	O(CC[6a]C)(CCO)	C(CC[6a]O)(COO)(H)	120.7500	0.000	1	120.7500	0.000	1	121.0877	13.707	4	117.4737	7.126	50	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(CHN)(OC)	O(CC[6a]C)(CC[6a]O)	C(CC[6a]O)(NCS)(H)	C(C[6a]C[6a]2)(CHN)(OC)	O(CC[6a]C)(CC[6a]O)	C(CC[6a]O)(NCS)(H)	119.5090	0.000	1	119.5090	0.000	1	119.5090	0.000	1	117.4737	7.126	50	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C-3:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5a]H)(OC)	O(CC[6a]C)(CC[6a]O)	C(C[5a]C[5a,6a]C[5a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[5a]H)(OC)	O(CC[6a]C)(CC[6a]O)	C(C[5a]C[5a,6a]C[5a])(CC[6a]O)(H)	118.0498	0.543	5	118.0498	0.295	5	118.1997	0.288	7	117.4737	7.126	50	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C-3:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5a]H)(OC)	O(CC[6a]C)(CC[6a]O)	C(C[5a]C[5a]N[5a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[5a]H)(OC)	O(CC[6a]C)(CC[6a]O)	C(C[5a]C[5a]N[5a])(CC[6a]O)(H)	118.8530	0.000	1	118.8530	0.000	1	118.1997	0.288	7	117.4737	7.126	50	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C-3:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5a]H)(OC)	O(CC[6a]C)(CC[6a]O)	C(C[5a]N[5a]O[5a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[5a]H)(OC)	O(CC[6a]C)(CC[6a]O)	C(C[5a]N[5a]O[5a])(CC[6a]O)(H)	118.2960	0.000	1	118.2960	0.000	1	118.1997	0.288	7	117.4737	7.126	50	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C-3:C-3:	C[6]-3:C-3:I-1:	C(C[6a]C[6a]2)(CC[6]I)(OC)	O(CC[6a]C)(CCO)	C(C[6]C[6]2)(CC[6a]O)(I)	C(C[6a]C[6a]2)(CC[6]I)(OC)	O(CC[6a]C)(CCO)	C(C[6]C[6]2)(CC[6a]O)(I)	117.3870	0.000	1	117.3870	0.000	1	117.3870	0.000	1	117.4737	7.126	50	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(OC)	O(CC[6a]C)(CNO)	C(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[6a]H)(OC)	O(CC[6a]C)(CNO)	C(C[6a]C[6a]2)(CC[6a]O)(H)	118.2850	0.000	1	118.2850	0.000	1	120.1805	7.186	2	117.4737	7.126	50	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(CC[6a]H)(OC)	O(CC[6a]C)(CC[6a]O)	C(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(CC[6a]H)(OC)	O(CC[6a]C)(CC[6a]O)	C(C[6a]C[6a]2)(CC[6a]O)(H)	122.0760	0.000	1	122.0760	0.000	1	120.1805	7.186	2	117.4737	7.126	50	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C-3:C-3:	C[6a]-3:C-3:I-1:	C(C[6a]C[6a]2)(CC[6a]I)(OC)	O(CC[6a]C)(CCO)	C(C[6a]C[6a]2)(CC[6a]O)(I)	C(C[6a]C[6a]2)(CC[6a]I)(OC)	O(CC[6a]C)(CCO)	C(C[6a]C[6a]2)(CC[6a]O)(I)	118.4348	1.505	5	118.4348	2.264	5	118.1035	2.470	6	117.4737	7.126	50	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C-3:C-3:	C[6a]-3:C-3:I-1:	C(C[6a]C[6a]2)(CC[6a]I)(OC)	O(CC[6a]C)(CC[6a]O)	C(C[6a]C[6a]2)(CC[6a]O)(I)	C(C[6a]C[6a]2)(CC[6a]I)(OC)	O(CC[6a]C)(CC[6a]O)	C(C[6a]C[6a]2)(CC[6a]O)(I)	116.4470	0.000	1	116.4470	0.000	1	118.1035	2.470	6	117.4737	7.126	50	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(OC[6a])	O(C[6a]C[6a]2)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[6a]H)(OC[6a])	O(C[6a]C[6a]2)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]O)(H)	119.4360	0.000	1	119.4360	0.000	1	119.4360	0.000	1	117.4737	7.126	50	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:3:	3:3:1:	N[5]-3:C-3:O-2:	C-3:C-3:	C[6a]-3:C-3:H-1:	C(N[5]C[5]2)(CC[6a]H)(OC)	O(CC[6a]O)(CN[5]C)	C(C[6a]C[6a]2)(CN[5]O)(H)	C(N[5]C[5]2)(CC[6a]H)(OC)	O(CC[6a]O)(CN[5]C)	C(C[6a]C[6a]2)(CN[5]O)(H)	120.3220	0.000	1	120.3220	0.000	1	120.3220	0.000	1	117.4737	7.126	50	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:3:	3:3:1:	N[5]-3:C-3:O-2:	C-3:C-3:	C[6a]-3:C-3:I-1:	C(N[5]C[5]2)(CC[6a]I)(OC)	O(CN[5]C)(CCO)	C(C[6a]C[6a]2)(CN[5]O)(I)	C(N[5]C[5]2)(CC[6a]I)(OC)	O(CN[5]C)(CCO)	C(C[6a]C[6a]2)(CN[5]O)(I)	121.0130	0.000	1	121.0130	0.000	1	121.0130	0.000	1	117.4737	7.126	50	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:3:	3:3:2:	C[5a]-3:C-3:O-2:	C-3:C-3:	C[6a]-3:C-3:C-2:	C(C[5a]C[5a]N[5a])(CC[6a]C)(OC)	O(CC[5a]C)(CCO)	C(C[6a]C[6a]2)(CC[5a]O)(CN)	C(C[5a]C[5a]N[5a])(CC[6a]C)(OC)	O(CC[5a]C)(CCO)	C(C[6a]C[6a]2)(CC[5a]O)(CN)	118.4157	0.791	3	118.4157	0.625	3	118.4157	0.625	3	117.6655	2.668	4	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:3:	3:3:2:	C[6a]-3:C-3:O-2:	C-3:C-3:	C-3:C-3:S-2:	C(C[6a]C[6a]2)(CCS)(OC)	O(CC[6a]C)(CCO)	C(CC[6a]O)(CNO)(SC)	C(C[6a]C[6a]2)(CCS)(OC)	O(CC[6a]C)(CCO)	C(CC[6a]O)(CNO)(SC)	115.4150	0.000	1	115.4150	0.000	1	115.4150	0.000	1	117.6655	2.668	4	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:3:	3:3:3:	C-3:C-3:O-2:	B-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(CC[6a]2)(CCC)(OB)	O(BC[6a]C)(CCC)	C(C[6a]C[6a]2)2(CCO)	C(CC[6a]2)(CCC)(OB)	O(BC[6a]C)(CCC)	C(C[6a]C[6a]2)2(CCO)	119.0413	1.528	3	119.0413	2.335	3	119.0413	2.335	3	119.1698	18.184	10	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:3:	3:3:3:	C-3:C-3:O-2:	C-3:C-3:	C-3:C-3:C-3:	C(CCC)(CCH)(OC)	O(CC[6a]O)(CCC)	C(CC[6a]O)(CCH)(CCO)	C(CCC)(CCH)(OC)	O(CC[6a]O)(CCC)	C(CC[6a]O)(CCH)(CCO)	115.5480	0.000	1	115.5480	0.000	1	115.2105	0.228	2	119.1698	18.184	10	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:3:	3:3:3:	C-3:C-3:O-2:	C-3:C-3:	C-3:C-3:C-3:	C(CC[6a]H)(CCC)(OC)	O(CCC)(CCO)	C(CC[6a]H)(CCO)2	C(CC[6a]H)(CCC)(OC)	O(CCC)(CCO)	C(CC[6a]H)(CCO)2	114.8730	0.000	1	114.8730	0.000	1	115.2105	0.228	2	119.1698	18.184	10	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:3:	3:3:3:	C[5a]-3:C-3:O-2:	C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[5a]C[5a]N[5a])(CC[6a]2)(OC)	O(CC[5a]C)(CCO)	C(C[6a]C[6a]2)2(CC[5a]O)	C(C[5a]C[5a]N[5a])(CC[6a]2)(OC)	O(CC[5a]C)(CCO)	C(C[6a]C[6a]2)2(CC[5a]O)	118.6450	0.000	1	118.6450	0.000	1	118.6450	0.000	1	119.1698	18.184	10	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:3:	3:3:3:	C[6a]-3:C-3:O-2:	C-3:C-3:	C-3:C-3:N-3:	C(C[6a]C[6a]2)(CCN)(OC)	O(CC[6a]C)(CCO)	C(CC[6a]O)(COO)(NCH)	C(C[6a]C[6a]2)(CCN)(OC)	O(CC[6a]C)(CCO)	C(CC[6a]O)(COO)(NCH)	117.0660	0.000	1	117.0660	0.000	1	117.0660	0.000	1	119.1698	18.184	10	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:3:	3:3:3:	C[6a]-3:C-3:O-2:	C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]2)(OC)	O(CC[6a]C)2	C(C[6a]C[6a]2)2(CC[6a]O)	C(C[6a]C[6a]2)(CC[6a]2)(OC)	O(CC[6a]C)2	C(C[6a]C[6a]2)2(CC[6a]O)	120.2690	0.000	1	120.2690	0.000	1	120.2690	0.000	1	119.1698	18.184	10	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:3:	3:3:3:	C[6a]-3:C-3:O-2:	C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(OC[6a])	O(C[6a]C[6a]2)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]O)(CCH)	C(C[6a]C[6a]2)(CC[6a]C)(OC[6a])	O(C[6a]C[6a]2)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]O)(CCH)	118.0410	0.000	1	118.0410	0.000	1	118.0410	0.000	1	119.1698	18.184	10	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:3:	3:3:3:	C[6a]-3:C-3:O-2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]2)(OC[6a])	O(C[6a]C[5a,6a]C[6a])(CC[6a]C)	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]O)	C(C[6a]C[6a]2)(CC[6a]2)(OC[6a])	O(C[6a]C[5a,6a]C[6a])(CC[6a]C)	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]O)	130.1320	0.000	1	130.1320	0.000	1	130.1320	0.000	1	119.1698	18.184	10	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:3:	3:3:4:	C[5a]-3:C-3:O-2:	C-3:C-3:	C[6a]-3:C-3:C-4:	C(C[5a]C[5a]N[5a])(CC[6a]C)(OC)	O(CC[5a]C)(CCO)	C(C[6a]C[6a]2)(CC[5a]O)(CCHH)	C(C[5a]C[5a]N[5a])(CC[6a]C)(OC)	O(CC[5a]C)(CCO)	C(C[6a]C[6a]2)(CC[5a]O)(CCHH)	117.9210	0.000	1	117.9210	0.000	1	117.9210	0.000	1	118.6707	0.374	4	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:3:	3:3:4:	C[6a]-3:C-3:O-2:	C-3:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)(CC[6a]C)(OC)	O(CC[6a]C)(CCO)	C(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C(C[6a]C[6a]2)(CC[6a]C)(OC)	O(CC[6a]C)(CCO)	C(C[6a]C[6a]2)(CC[6a]O)(CCHH)	118.9207	0.431	3	118.9207	0.186	3	118.9207	0.186	3	118.6707	0.374	4	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:3:	3:4:1:	C[6a]-3:C-3:O-2:	C-3:C-3:	C-3:C-4:Cl-1:	C(C[6a]C[6a]2)(CClC)(OC)	O(CC[6a]C)(CCO)	C(CC[6a]O)(CCHH)(Cl)	C(C[6a]C[6a]2)(CClC)(OC)	O(CC[6a]C)(CCO)	C(CC[6a]O)(CCHH)(Cl)	118.1905	0.588	2	118.1905	0.345	2	118.1905	0.345	2	116.3990	3.985	5	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:3:	3:4:1:	C[6a]-3:C-3:O-2:	C-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CCH)(OC)	O(CC[6a]C)(CC[6a]O)	C(CC[6a]O)(CF3)(H)	C(C[6a]C[6a]2)(CCH)(OC)	O(CC[6a]C)(CC[6a]O)	C(CC[6a]O)(CF3)(H)	114.3645	0.814	2	114.3645	0.662	2	114.3645	0.662	2	116.3990	3.985	5	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:3:	3:4:1:	C[6a]-3:C-3:O-2:	C-3:C-3:	C-3:C-4:I-1:	C(C[6a]C[6a]2)(CCI)(OC)	O(CC[6a]C)(CCO)	C(CC[6a]O)(CCHH)(I)	C(C[6a]C[6a]2)(CCI)(OC)	O(CC[6a]C)(CCO)	C(CC[6a]O)(CCHH)(I)	116.8850	0.000	1	116.8850	0.000	1	116.8850	0.000	1	116.3990	3.985	5	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:3:	3:4:3:	C-3:C-3:O-2:	C-3:C-3:	C-3:C-4:C-3:	C(CCC)(CCH)(OC)	O(CC[6a]O)(CCC)	C(CC[6a]H)(CH3)(CCO)	C(CCC)(CCH)(OC)	O(CC[6a]O)(CCC)	C(CC[6a]H)(CH3)(CCO)	115.5010	0.000	1	115.5010	0.000	1	116.2175	1.027	2	116.8717	0.650	8	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:3:	3:4:3:	C-3:C-3:O-2:	C-3:C-3:	C-3:C-4:C-3:	C(CCC)(CHH)(OC)	O(CC[6a]O)(CCC)	C(CC[6a]H)(CCHH)(CCO)	C(CCC)(CHH)(OC)	O(CC[6a]O)(CCC)	C(CC[6a]H)(CCHH)(CCO)	116.9340	0.000	1	116.9340	0.000	1	116.2175	1.027	2	116.8717	0.650	8	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:3:	3:4:3:	C-3:C-3:O-2:	C-3:C-3:	C[6a]-3:C-4:C-3:	C(CC[6a]C)(CCH)(OC)	O(CCC)(CCO)	C(C[6a]C[6a]2)(CCHH)(CCO)	C(CC[6a]C)(CCH)(OC)	O(CCC)(CCO)	C(C[6a]C[6a]2)(CCHH)(CCO)	116.9840	0.000	1	116.9840	0.000	1	117.1608	0.557	5	116.8717	0.650	8	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:3:	3:4:3:	C-3:C-3:O-2:	C-3:C-3:	C[6a]-3:C-4:C-3:	C(CC[6a]C)(CCH)(OC)	O(CCC)(CCO)	C(C[6a]C[6a]2)(CHHN)(CCO)	C(CC[6a]C)(CCH)(OC)	O(CCC)(CCO)	C(C[6a]C[6a]2)(CHHN)(CCO)	116.7983	0.320	3	116.7983	0.102	3	117.1608	0.557	5	116.8717	0.650	8	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:3:	3:4:3:	C-3:C-3:O-2:	C-3:C-3:	C[6a]-3:C-4:C-3:	C(CC[6a]C)(CC[6a]O)(OC)	O(CC[6a]O)(CCC)	C(C[6a]C[6a]N[6a])(CH3)(CCO)	C(CC[6a]C)(CC[6a]O)(OC)	O(CC[6a]O)(CCC)	C(C[6a]C[6a]N[6a])(CH3)(CCO)	118.4250	0.000	1	118.4250	0.000	1	117.1608	0.557	5	116.8717	0.650	8	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:3:	3:4:3:	C[6a]-3:C-3:O-2:	C-3:C-3:	C[6a]-3:S-4:C-3:	C(C[6a]C[6a]2)(CC[6a]S)(OC)	O(CC[6a]C)2	C(C[6a]C[6a]2)(SC[6a]OO)(CC[6a]O)	C(C[6a]C[6a]2)(CC[6a]S)(OC)	O(CC[6a]C)2	C(C[6a]C[6a]2)(SC[6a]OO)(CC[6a]O)	116.7350	0.000	1	116.7350	0.000	1	116.7350	0.000	1	116.8717	0.650	8	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:3:	4:3:1:	C-3:C-3:O-2:	C-3:C-3:	C-4:C-3:H-1:	C(CCH)(COO)(OC)	O(CC[5]H)(CCC)	C(CC[5]HH)(CCO)(H)	C(CCH)(COO)(OC)	O(CC[5]H)(CCC)	C(CC[5]HH)(CCO)(H)	130.5840	0.000	1	130.5840	0.000	1	122.1732	19.526	6	121.1428	17.946	12	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:3:	4:3:1:	C-3:C-3:O-2:	C-3:C-3:	C-4:C-3:H-1:	C(CCH)(COO)(OC)	O(CC[6a]O)(CCC)	C(CC[6a]CH)(CCO)(H)	C(CCH)(COO)(OC)	O(CC[6a]O)(CCC)	C(CC[6a]CH)(CCO)(H)	121.8030	1.803	2	121.8030	3.251	2	122.1732	19.526	6	121.1428	17.946	12	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:3:	4:3:1:	C-3:C-3:O-2:	C-3:C-3:	C-4:C-3:H-1:	C(CCH)2(OC)	O(CCC)(CNO)	C(CC[6a]CH)(CCO)(H)	C(CCH)2(OC)	O(CCC)(CNO)	C(CC[6a]CH)(CCO)(H)	120.7170	0.000	1	120.7170	0.000	1	122.1732	19.526	6	121.1428	17.946	12	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:3:	4:3:1:	C-3:C-3:O-2:	C-3:C-3:	C-4:C-3:H-1:	C(CCH)2(OC)	O(CCC)(CNO)	C(CSnCH)(CCO)(H)	C(CCH)2(OC)	O(CCC)(CNO)	C(CSnCH)(CCO)(H)	118.0830	0.000	1	118.0830	0.000	1	122.1732	19.526	6	121.1428	17.946	12	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:3:	4:3:1:	C-3:C-3:O-2:	C-3:C-3:	C-4:C-3:H-1:	C(CC[6a]O)(CCH)(OC)	O(CCC)(COO)	C(CC3)(CCO)(H)	C(CC[6a]O)(CCH)(OC)	O(CCC)(COO)	C(CC3)(CCO)(H)	120.0490	0.000	1	120.0490	0.000	1	122.1732	19.526	6	121.1428	17.946	12	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:3:	4:3:1:	C-3:C-3:O-2:	C-3:C-3:	C[6]-4:C-3:H-1:	C(CC[6]H)(CC[6]O)(OC)	O(CC[6a]O)(CCC)	C(C[6]C[6]2H)(CCO)(H)	C(CC[6]H)(CC[6]O)(OC)	O(CC[6a]O)(CCC)	C(C[6]C[6]2H)(CCO)(H)	118.6700	0.000	1	118.6700	0.000	1	118.6700	0.000	1	121.1428	17.946	12	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:3:	4:3:1:	C-3:C-3:O-2:	C-3:C-3:	C[6]-4:C-3:O-1:	C(CC[6]H)(CC[6]O)(OC)	O(CC[6a]O)(CCC)	C(C[6]C[6]2H)(CCO)(O)	C(CC[6]H)(CC[6]O)(OC)	O(CC[6a]O)(CCC)	C(C[6]C[6]2H)(CCO)(O)	114.4380	0.000	1	114.4380	0.000	1	114.4380	0.000	1	121.1428	17.946	12	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:3:	4:3:1:	C-3:N-3:O-2:	C-3:C-3:	C-4:C-3:H-1:	C(CCH)(NCS)(OC)	O(CCN)2	C(CH3)(CNO)(H)	C(CCH)(NCS)(OC)	O(CCN)2	C(CH3)(CNO)(H)	124.8285	1.856	2	124.8285	3.445	2	124.8285	3.445	2	121.1428	17.946	12	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:3:	4:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C-3:	C[5]-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[5]H)(OC[6a])	O(C[6a]C[6a]2)(CC[6a]C)	C(C[5]C[5]O[5]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[5]H)(OC[6a])	O(C[6a]C[6a]2)(CC[6a]C)	C(C[5]C[5]O[5]H)(CC[6a]O)(H)	117.9190	0.000	1	117.9190	0.000	1	117.9190	0.000	1	121.1428	17.946	12	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:3:	4:3:1:	N[5]-3:C-3:O-2:	C-3:C-3:	C-4:C-3:H-1:	C(N[5]C[5]2)(CCH)(OC)	O(CN[5]C)(CCO)	C(CC[5a]CH)(CN[5]O)(H)	C(N[5]C[5]2)(CCH)(OC)	O(CN[5]C)(CCO)	C(CC[5a]CH)(CN[5]O)(H)	119.9910	0.000	1	119.9910	0.000	1	119.9910	0.000	1	121.1428	17.946	12	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:3:	4:3:2:	C[5a]-3:C-3:O-2:	C-3:C-3:	C-4:C-3:C-2:	C(C[5a]C[5a,6a]C[5a])(CCC)(OC)	O(CC[5a]C)(CCO)	C(CC[6a]HH)(CC[5a]O)(CN)	C(C[5a]C[5a,6a]C[5a])(CCC)(OC)	O(CC[5a]C)(CCO)	C(CC[6a]HH)(CC[5a]O)(CN)	116.8880	0.000	1	116.8880	0.000	1	117.0135	0.032	2	117.0135	0.032	2	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:3:	4:3:2:	C[5a]-3:C-3:O-2:	C-3:C-3:	C-4:C-3:C-2:	C(C[5a]C[5a,6a]C[5a])(CCC)(OC)	O(CC[5a]C)(CC[6a]O)	C(CC[6a]HH)(CC[5a]O)(CN)	C(C[5a]C[5a,6a]C[5a])(CCC)(OC)	O(CC[5a]C)(CC[6a]O)	C(CC[6a]HH)(CC[5a]O)(CN)	117.1390	0.000	1	117.1390	0.000	1	117.0135	0.032	2	117.0135	0.032	2	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:3:	4:3:3:	C-3:C-3:O-2:	B-3:C-3:	C-4:C-3:C-3:	C(CC[6a]2)(CCC)(OB)	O(BC[6a]C)(CCC)	C(CCHH)(CCC)(CCO)	C(CC[6a]2)(CCC)(OB)	O(BC[6a]C)(CCC)	C(CCHH)(CCC)(CCO)	111.8500	0.000	1	111.8500	0.000	1	112.7330	0.723	3	112.7330	0.723	3	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:3:	4:3:3:	C-3:C-3:O-2:	B-3:C-3:	C-4:C-3:C-3:	C(CC[6a]2)(CCC)(OB)	O(BC[6a]C)(CCC)	C(CH3)(CCC)(CCO)	C(CC[6a]2)(CCC)(OB)	O(BC[6a]C)(CCC)	C(CH3)(CCC)(CCO)	113.1745	0.525	2	113.1745	0.276	2	112.7330	0.723	3	112.7330	0.723	3	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:3:	5:3:1:	C-3:C[6a]-3:O-2:	N[6]-3:C-3:	C[3x3,4,3x5,14x6]-5:C-3:H-1:	C(CC[3x3,4,3x5,14x6]H)(C[6a]C[6a]2)(ON[6])	O(N[6]C[6]2)(CC[6a]C)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CC[6a]O)(H)	C(CC[3x3,4,3x5,14x6]H)(C[6a]C[6a]2)(ON[6])	O(N[6]C[6]2)(CC[6a]C)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CC[6a]O)(H)	123.1820	0.000	1	123.1820	0.000	1	123.1820	0.000	1	123.1820	0.000	1	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:4:	3:1:1:	C[6a]-3:C-3:O-2:	C-3:P-4:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(CHH)(OP)	O(CC[6a]C)(PN3)	C(CC[6a]O)(H)2	C(C[6a]C[6a]2)(CHH)(OP)	O(CC[6a]C)(PN3)	C(CC[6a]O)(H)2	125.6820	0.694	2	125.6820	0.482	2	125.6820	0.482	2	125.6820	0.482	2	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:4:	3:2:1:	C[5]-3:C-3:O-2:	C-3:Si-4:	C-3:O-2:O-1:	C(C[5]N[5,5]C[5])(COO)(OSi)	O(CC[5]C)(SiC3)	C(CC[5]O)(OC)(O)	C(C[5]N[5,5]C[5])(COO)(OSi)	O(CC[5]C)(SiC3)	C(CC[5]O)(OC)(O)	114.9785	0.523	2	114.9785	0.273	2	114.9785	0.273	2	117.1154	16.665	10	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:4:	3:2:1:	C[6]-3:C-3:O-2:	C-3:C-4:	C-3:O-2:O-1:	C(C[6]C[6,6a]C[6])(COO)(OC)	O(CC[6]C)(CH3)	C(CC[6]O)(OC)(O)	C(C[6]C[6,6a]C[6])(COO)(OC)	O(CC[6]C)(CH3)	C(CC[6]O)(OC)(O)	114.3540	0.000	1	114.3540	0.000	1	114.3540	0.000	1	117.1154	16.665	10	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:4:	3:2:1:	C[6a]-3:C-3:O-2:	C-3:C-4:	C-3:C-2:H-1:	C(C[6a]C[5a,6a]C[6a])(CCH)(OC)	O(CC[6a]C)(CCHH)	C(CC[6a]O)(CC)(H)	C(C[6a]C[5a,6a]C[6a])(CCH)(OC)	O(CC[6a]C)(CCHH)	C(CC[6a]O)(CC)(H)	120.5675	7.031	2	120.5675	49.432	2	120.5675	49.432	2	117.1154	16.665	10	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:4:	3:2:1:	C[6a]-3:C-3:O-2:	C-3:C-4:	C-3:N-2:H-1:	C(C[6a]C[6a]2)(CHN)(OC)	O(CC[6a]C)(CCHH)	C(CC[6a]O)(NS)(H)	C(C[6a]C[6a]2)(CHN)(OC)	O(CC[6a]C)(CCHH)	C(CC[6a]O)(NS)(H)	118.7690	0.000	1	118.7690	0.000	1	118.7690	0.000	1	117.1154	16.665	10	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:4:	3:2:1:	C[6a]-3:C-3:O-2:	C-3:P-4:	C-3:S-2:H-1:	C(C[6a]C[6a]2)(CHS)(OP)	O(CC[6a]C)(PO3)	C(CC[6a]O)(SC)(H)	C(C[6a]C[6a]2)(CHS)(OP)	O(CC[6a]C)(PO3)	C(CC[6a]O)(SC)(H)	118.2510	0.000	1	118.2510	0.000	1	118.2510	0.000	1	117.1154	16.665	10	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:4:	3:2:1:	C[6a]-3:C-3:O-2:	C-3:S-4:	C-3:I-2:H-1:	C(C[6a]C[6a]2)(CHI)(OS)	O(CC[6a]C)(SCOO)	C(CC[6a]O)(IC[6a])(H)	C(C[6a]C[6a]2)(CHI)(OS)	O(CC[6a]C)(SCOO)	C(CC[6a]O)(IC[6a])(H)	113.2560	0.515	2	113.2560	0.265	2	113.2560	0.265	2	117.1154	16.665	10	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:4:	3:2:1:	C[6a]-3:C-3:O-2:	C-3:Si-4:	C-3:C-2:H-1:	C(C[6a]C[6a]2)(CCH)(OSi)	O(CC[6a]C)(SiC3)	C(CC[6a]O)(CC)(H)	C(C[6a]C[6a]2)(CCH)(OSi)	O(CC[6a]C)(SiC3)	C(CC[6a]O)(CC)(H)	122.1760	0.000	1	122.1760	0.000	1	122.1760	0.000	1	117.1154	16.665	10	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:4:	3:2:4:	C[6a]-3:C-3:O-2:	C-3:C-4:	C-3:I-2:C-4:	C(C[6a]C[6a]2)(CCI)(OC)	O(CC[6a]C)(CH3)	C(CC[6a]O)(IC[6a])(CH3)	C(C[6a]C[6a]2)(CCI)(OC)	O(CC[6a]C)(CH3)	C(CC[6a]O)(IC[6a])(CH3)	115.7860	0.000	1	115.7860	0.000	1	115.7860	0.000	1	115.7860	0.000	1	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:4:	3:3:1:	C[5]-3:C-3:O-2:	C-3:C-4:	C-3:C-3:H-1:	C(C[5]C[5,6]C[5])(CCH)(OC)	O(CC[5]C)(CH3)	C(CC[5]O)(CCH)(H)	C(C[5]C[5,6]C[5])(CCH)(OC)	O(CC[5]C)(CH3)	C(CC[5]O)(CCH)(H)	119.2940	0.000	1	119.2940	0.000	1	119.6747	8.827	6	122.7117	13.218	38	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:4:	3:3:1:	C[5]-3:C-3:O-2:	C-3:C-4:	C-3:C-3:H-1:	C(C[5]C[5,6a]C[5])(CCH)(OC)	O(CC[5]C)(CH3)	C(CC[5]O)(CCH)(H)	C(C[5]C[5,6a]C[5])(CCH)(OC)	O(CC[5]C)(CH3)	C(CC[5]O)(CCH)(H)	120.0160	0.000	1	120.0160	0.000	1	119.6747	8.827	6	122.7117	13.218	38	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:4:	3:3:1:	C[5]-3:C-3:O-2:	C-3:C-4:	C-3:C-3:H-1:	C(C[5]C[5]2)(CCH)(OC)	O(CC[5]C)(CCHH)	C(CC[5]O)(CCC)(H)	C(C[5]C[5]2)(CCH)(OC)	O(CC[5]C)(CCHH)	C(CC[5]O)(CCC)(H)	122.4130	0.000	1	122.4130	0.000	1	119.6747	8.827	6	122.7117	13.218	38	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:4:	3:3:1:	C[5]-3:C-3:O-2:	C-3:C-4:	C-3:C-3:H-1:	C(C[5]C[5]2)(CCH)(OC)	O(CC[5]C)(CH3)	C(CC[5]O)(CCH)(H)	C(C[5]C[5]2)(CCH)(OC)	O(CC[5]C)(CH3)	C(CC[5]O)(CCH)(H)	121.1400	0.621	2	121.1400	0.385	2	119.6747	8.827	6	122.7117	13.218	38	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:4:	3:3:1:	C[5]-3:C-3:O-2:	C-3:C-4:	C-3:C-3:H-1:	C(C[5]C[5]2)(CCH)(OC)	O(CC[5]C)(CH3)	C(CC[6a]H)(CC[5]O)(H)	C(C[5]C[5]2)(CCH)(OC)	O(CC[5]C)(CH3)	C(CC[6a]H)(CC[5]O)(H)	114.0450	0.000	1	114.0450	0.000	1	119.6747	8.827	6	122.7117	13.218	38	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:4:	3:3:1:	C[6a]-3:C-3:O-2:	C-3:C-4:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OC)	O(CC[6a]C)(CC3)	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(OC)	O(CC[6a]C)(CC3)	C(CC[6a]O)(CCO)(H)	125.5080	0.000	1	125.5080	0.000	1	125.0458	13.248	11	122.7117	13.218	38	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:4:	3:3:1:	C[6a]-3:C-3:O-2:	C-3:C-4:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OC)	O(CC[6a]C)(CC3)	C(CC[6a]O)(CNO)(H)	C(C[6a]C[6a]2)(CCH)(OC)	O(CC[6a]C)(CC3)	C(CC[6a]O)(CNO)(H)	120.5280	0.000	1	120.5280	0.000	1	125.0458	13.248	11	122.7117	13.218	38	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:4:	3:3:1:	C[6a]-3:C-3:O-2:	C-3:C-4:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OC)	O(CC[6a]C)(CCCH)	C(CC[6a]O)(COO)(H)	C(C[6a]C[6a]2)(CCH)(OC)	O(CC[6a]C)(CCCH)	C(CC[6a]O)(COO)(H)	123.7450	6.435	2	123.7450	41.405	2	125.0458	13.248	11	122.7117	13.218	38	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:4:	3:3:1:	C[6a]-3:C-3:O-2:	C-3:C-4:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OC)	O(CC[6a]C)(CCHH)	C(CC[6a]O)(CNO)(H)	C(C[6a]C[6a]2)(CCH)(OC)	O(CC[6a]C)(CCHH)	C(CC[6a]O)(CNO)(H)	128.7615	0.769	2	128.7615	0.591	2	125.0458	13.248	11	122.7117	13.218	38	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:4:	3:3:1:	C[6a]-3:C-3:O-2:	C-3:C-4:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OC)	O(CC[6a]C)(CCHH)	C(CC[6a]O)(COO)(H)	C(C[6a]C[6a]2)(CCH)(OC)	O(CC[6a]C)(CCHH)	C(CC[6a]O)(COO)(H)	125.3885	3.356	4	125.3885	11.265	4	125.0458	13.248	11	122.7117	13.218	38	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:4:	3:3:1:	C[6a]-3:C-3:O-2:	C-3:C-4:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OC)	O(CC[6a]C)(CH3)	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(OC)	O(CC[6a]C)(CH3)	C(CC[6a]O)(CCO)(H)	122.9010	0.000	1	122.9010	0.000	1	125.0458	13.248	11	122.7117	13.218	38	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:4:	3:3:1:	C[6a]-3:C-3:O-2:	C-3:C-4:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(CHN)(OC)	O(CC[6a]C)(CCHH)	C(CC[6a]O)(NCS)(H)	C(C[6a]C[6a]2)(CHN)(OC)	O(CC[6a]C)(CCHH)	C(CC[6a]O)(NCS)(H)	122.5700	2.862	3	122.5700	8.189	3	122.5700	8.189	3	122.7117	13.218	38	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:4:	3:3:1:	C[6a]-3:C-3:O-2:	C-3:C-4:	C[5]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5]H)(OC)	O(CC[6a]C)(CCHH)	C(C[5]C[5]N[5])(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[5]H)(OC)	O(CC[6a]C)(CCHH)	C(C[5]C[5]N[5])(CC[6a]O)(H)	125.2210	0.315	3	125.2210	0.099	3	125.2210	0.099	3	122.7117	13.218	38	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:4:	3:3:1:	C[6a]-3:C-3:O-2:	C-3:C-4:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(OC)	O(CC[6a]C)(CH3)	C(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[6a]H)(OC)	O(CC[6a]C)(CH3)	C(C[6a]C[6a]2)(CC[6a]O)(H)	122.8306	0.488	7	122.8306	0.238	7	122.8306	0.238	7	122.7117	13.218	38	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:4:	3:3:1:	C[6a]-3:C-3:O-2:	C-3:S-4:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OS)	O(CC[6a]C)(SCOO)	C(CC[6a]O)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(OS)	O(CC[6a]C)(SCOO)	C(CC[6a]O)(CCH)(H)	118.1265	0.100	2	118.1265	0.010	2	118.7563	1.195	3	122.7117	13.218	38	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:4:	3:3:1:	C[6a]-3:C-3:O-2:	C-3:S-4:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OS)	O(CC[6a]C)(SCOO)	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCH)(OS)	O(CC[6a]C)(SCOO)	C(CC[6a]O)2(H)	120.0160	0.000	1	120.0160	0.000	1	118.7563	1.195	3	122.7117	13.218	38	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:4:	3:3:1:	C[6a]-3:C-3:O-2:	C-3:S-4:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(OS)	O(CC[6a]C)(SCOO)	C(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[6a]H)(OS)	O(CC[6a]C)(SCOO)	C(C[6a]C[6a]2)(CC[6a]O)(H)	115.4490	0.000	1	115.4490	0.000	1	115.4490	0.000	1	122.7117	13.218	38	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:4:	3:3:1:	N[5]-3:C-3:O-2:	C-3:C-4:	C-3:N-3:H-1:	C(N[5]C[5]2)(CHN)(OC)	O(CN[5]C)(CCHH)	C(CN[5]O)(NCS)(H)	C(N[5]C[5]2)(CHN)(OC)	O(CN[5]C)(CCHH)	C(CN[5]O)(NCS)(H)	120.7840	4.664	2	120.7840	21.754	2	120.7840	21.754	2	122.7117	13.218	38	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:4:	3:3:1:	N[5]-3:C-3:O-2:	C-3:Si-4:	C-3:C-3:H-1:	C(N[5]C[5]2)(CCH)(OSi)	O(CN[5]C)(SiCCO)	C(CN[5]O)(CCH)(H)	C(N[5]C[5]2)(CCH)(OSi)	O(CN[5]C)(SiCCO)	C(CN[5]O)(CCH)(H)	126.5100	0.130	2	126.5100	0.017	2	126.5100	0.017	2	122.7117	13.218	38	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:4:	3:3:2:	C[6a]-3:C-3:O-2:	C-3:B-4:	C[6a]-3:C-3:O-2:	C(C[6a]C[6a]2)(CC[6a]O)(OB)	O(CC[6a]C)(BC3)	C(C[6a]C[6a]2)(CC[6a]O)(OP)	C(C[6a]C[6a]2)(CC[6a]O)(OB)	O(CC[6a]C)(BC3)	C(C[6a]C[6a]2)(CC[6a]O)(OP)	120.1880	0.000	1	120.1880	0.000	1	120.1880	0.000	1	118.7970	3.870	2	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:4:	3:3:2:	C[6a]-3:C-3:O-2:	C-3:P-4:	C[6a]-3:C-3:O-2:	C(C[6a]C[6a]2)(CC[6a]O)(OP)	O(CC[6a]C)(PN3)	C(C[6a]C[6a]2)(CC[6a]O)(OB)	C(C[6a]C[6a]2)(CC[6a]O)(OP)	O(CC[6a]C)(PN3)	C(C[6a]C[6a]2)(CC[6a]O)(OB)	117.4060	0.000	1	117.4060	0.000	1	117.4060	0.000	1	118.7970	3.870	2	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:4:	3:3:3:	C[6a]-3:C-3:O-2:	C-3:C-4:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(OC)	O(CC[6a]C)(CH3)	C(C[6a]C[6a]2)(CC[6a]O)(CCS)	C(C[6a]C[6a]2)(CC[6a]C)(OC)	O(CC[6a]C)(CH3)	C(C[6a]C[6a]2)(CC[6a]O)(CCS)	118.3790	0.000	1	118.3790	0.000	1	118.3790	0.000	1	117.8680	0.522	2	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:4:	3:3:3:	C[6a]-3:C-3:O-2:	C-3:C-4:	C[6a]-3:C[5]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C[5])(OC)	O(CC[6a]C)(CH3)	C(C[6a]C[6a]2)(C[5]C[5]2)(CC[6a]O)	C(C[6a]C[6a]2)(CC[6a]C[5])(OC)	O(CC[6a]C)(CH3)	C(C[6a]C[6a]2)(C[5]C[5]2)(CC[6a]O)	117.3570	0.000	1	117.3570	0.000	1	117.3570	0.000	1	117.8680	0.522	2	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:4:	3:3:4:	C[6a]-3:C-3:O-2:	C-3:C-4:	N[5]-3:C-3:C-4:	C(C[6a]C[6a]2)(CN[5]C)(OC)	O(CC[6a]C)(CCHH)	C(N[5]C[5]2)(CC[6a]O)(CH3)	C(C[6a]C[6a]2)(CN[5]C)(OC)	O(CC[6a]C)(CCHH)	C(N[5]C[5]2)(CC[6a]O)(CH3)	118.1170	0.000	1	118.1170	0.000	1	118.3960	0.156	2	118.1287	0.261	4	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:4:	3:3:4:	C[6a]-3:C-3:O-2:	C-3:C-4:	N[5]-3:C-3:C-4:	C(C[6a]C[6a]2)(CN[5]C)(OC)	O(CC[6a]C)(CCHH)	C(N[5]C[5]N[5])(CC[6a]O)(CH3)	C(C[6a]C[6a]2)(CN[5]C)(OC)	O(CC[6a]C)(CCHH)	C(N[5]C[5]N[5])(CC[6a]O)(CH3)	118.6750	0.000	1	118.6750	0.000	1	118.3960	0.156	2	118.1287	0.261	4	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:4:	3:3:4:	C[6a]-3:C-3:O-2:	C-3:C-4:	N[5a]-3:C-3:C-4:	C(C[6a]C[6a]2)(CN[5a]C)(OC)	O(CC[6a]C)(CCHH)	C(N[5a]C[5a]N[5a])(CC[6a]O)(CH3)	C(C[6a]C[6a]2)(CN[5a]C)(OC)	O(CC[6a]C)(CCHH)	C(N[5a]C[5a]N[5a])(CC[6a]O)(CH3)	118.2740	0.000	1	118.2740	0.000	1	118.2740	0.000	1	118.1287	0.261	4	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:4:	3:3:4:	C[6a]-3:C-3:O-2:	C-3:P-4:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)(CC[6a]C)(OP)	O(CC[6a]C)(PO3)	C(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C(C[6a]C[6a]2)(CC[6a]C)(OP)	O(CC[6a]C)(PO3)	C(C[6a]C[6a]2)(CC[6a]O)(CCHH)	117.4490	0.000	1	117.4490	0.000	1	117.4490	0.000	1	118.1287	0.261	4	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:4:	3:4:1:	C[6]-3:C-3:O-2:	C-3:C-4:	C-3:C-4:H-1:	C(C[6]C[6]2)(CCH)(OC)	O(CC[6]C)(CH3)	C(CC[6]O)(CCCH)(H)	C(C[6]C[6]2)(CCH)(OC)	O(CC[6]C)(CH3)	C(CC[6]O)(CCCH)(H)	126.8880	0.000	1	126.8880	0.000	1	126.8880	0.000	1	126.8880	0.000	1	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:4:	3:4:3:	N[5]-3:C-3:O-2:	C-3:Si-4:	C-3:C-4:C-3:	C(N[5]C[5]2)(CCC)(OSi)	O(CN[5]C)(SiC3)	C(CN[5]O)(CH3)(CCH)	C(N[5]C[5]2)(CCC)(OSi)	O(CN[5]C)(SiC3)	C(CN[5]O)(CH3)(CCH)	123.6860	0.000	1	123.6860	0.000	1	123.6860	0.000	1	123.6860	0.000	1	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:4:	4:3:1:	C[6a]-3:C-3:O-2:	C-3:C-4:	C[4]-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[4]H)(OC)	O(CC[6a]C)(CH3)	C(C[4]C[4,6]C[4]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[4]H)(OC)	O(CC[6a]C)(CH3)	C(C[4]C[4,6]C[4]H)(CC[6a]O)(H)	117.5850	0.000	1	117.5850	0.000	1	117.5850	0.000	1	118.9887	2.958	6	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:4:	4:3:1:	C[6a]-3:C-3:O-2:	C-3:C-4:	S-4:C-3:H-1:	C(C[6a]C[6a]2)(CHS)(OC)	O(CC[6a]C)(CH3)	C(SC[6a]OO)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CHS)(OC)	O(CC[6a]C)(CH3)	C(SC[6a]OO)(CC[6a]O)(H)	117.8400	0.000	1	117.8400	0.000	1	117.8400	0.000	1	118.9887	2.958	6	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:4:	4:3:1:	C[6a]-3:C-3:O-2:	C-3:P-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OP)	O(CC[6a]C)(PO3)	C(CC[6a]CH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(OP)	O(CC[6a]C)(PO3)	C(CC[6a]CH)(CC[6a]O)(H)	119.5040	0.000	1	119.5040	0.000	1	119.5040	0.000	1	118.9887	2.958	6	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:4:	4:3:1:	C[6a]-3:C-3:O-2:	C-3:P-4:	P-4:C-3:H-1:	C(C[6a]C[6a]2)(CHP)(OP)	O(CC[6a]C)(PO3)	C(PC[6a]2Pd)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CHP)(OP)	O(CC[6a]C)(PO3)	C(PC[6a]2Pd)(CC[6a]O)(H)	118.5635	1.593	2	118.5635	2.538	2	118.5635	2.538	2	118.9887	2.958	6	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:4:	4:3:1:	C[6a]-3:C-3:O-2:	C-3:Si-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OSi)	O(CC[6a]C)(SiC3)	C(CC[6a]HH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(OSi)	O(CC[6a]C)(SiC3)	C(CC[6a]HH)(CC[6a]O)(H)	121.8760	0.000	1	121.8760	0.000	1	121.8760	0.000	1	118.9887	2.958	6	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:4:	4:3:3:	C[6a]-3:C-3:O-2:	C-3:C-4:	C[5]-4:C-3:C-3:	C(C[6a]C[6a]2)(CC[5]C)(OC)	O(CC[6a]C)(CC3)	C(C[5]N[5]O[5]H)(CC[6a]O)2	C(C[6a]C[6a]2)(CC[5]C)(OC)	O(CC[6a]C)(CC3)	C(C[5]N[5]O[5]H)(CC[6a]O)2	115.1265	0.457	2	115.1265	0.209	2	115.1265	0.209	2	117.9937	24.767	3	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:4:	4:3:3:	C[6a]-3:C-3:O-2:	C-3:Si-4:	C[5]-4:C-3:C-3:	C(C[6a]C[6a]2)(CC[5]C)(OSi)	O(CC[6a]C)(SiC3)	C(C[5]C[5]N[5]H)(CC[6a]O)(COO)	C(C[6a]C[6a]2)(CC[5]C)(OSi)	O(CC[6a]C)(SiC3)	C(C[5]C[5]N[5]H)(CC[6a]O)(COO)	123.7280	0.000	1	123.7280	0.000	1	123.7280	0.000	1	117.9937	24.767	3	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	3:4:	4:3:4:	C[6a]-3:C-3:O-2:	C-3:C-4:	S-4:C-3:C-4:	C(C[6a]C[6a]2)(CCS)(OC)	O(CC[6a]C)(CH3)	C(SC[6a]OO)(CC[6a]O)(CH3)	C(C[6a]C[6a]2)(CCS)(OC)	O(CC[6a]C)(CH3)	C(SC[6a]OO)(CC[6a]O)(CH3)	116.0570	0.000	1	116.0570	0.000	1	116.0570	0.000	1	116.0570	0.000	1	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	4:3:	3:1:1:	C-3:C-3:O-2:	C-4:C-3:	C-3:H-1:H-1:	C(CC[5a]O)(CHH)(OC)	O(CC[6a]HH)(CCC)	C(CCO)(H)2	C(CC[5a]O)(CHH)(OC)	O(CC[6a]HH)(CCC)	C(CCO)(H)2	127.2200	0.000	1	127.2200	0.000	1	127.2200	0.000	1	121.2801	37.762	7	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	4:3:	3:1:1:	C-3:C-3:O-2:	P-4:C-3:	C-3:H-1:H-1:	C(CHH)(COO)(OP)	O(PO3)(CCC)	C(CCO)(H)2	C(CHH)(COO)(OP)	O(PO3)(CCC)	C(CCO)(H)2	125.7145	0.115	2	125.7145	0.013	2	125.7145	0.013	2	121.2801	37.762	7	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	4:3:	3:1:1:	C-3:C-3:O-2:	P-4:C-3:	C-3:O-1:O-1:	C(CHH)(COO)(OP)	O(PO3)(CCC)	C(CCO)(O)2	C(CHH)(COO)(OP)	O(PO3)(CCC)	C(CCO)(O)2	111.6430	0.000	1	111.6430	0.000	1	111.6430	0.000	1	121.2801	37.762	7	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	4:3:	3:1:1:	C-3:C-3:O-2:	S-4:C-3:	C-3:H-1:H-1:	C(CCC)(CHH)(OS)	O(SC[6a]OO)(CCC)	C(CCO)(H)2	C(CCC)(CHH)(OS)	O(SC[6a]OO)(CCC)	C(CCO)(H)2	116.9810	0.000	1	116.9810	0.000	1	116.9810	0.000	1	121.2801	37.762	7	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	4:3:	3:1:1:	C[6a]-3:C-3:O-2:	B-4:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(CHH)(OB)	O(BC[6a]3)(CC[6a]C)	C(CC[6a]O)(H)2	C(C[6a]C[6a]2)(CHH)(OB)	O(BC[6a]3)(CC[6a]C)	C(CC[6a]O)(H)2	125.3280	0.000	1	125.3280	0.000	1	125.3280	0.000	1	121.2801	37.762	7	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	4:3:	3:1:1:	C[6a]-3:C-3:O-2:	S-4:C-3:	C-3:F-1:H-1:	C(C[6a]C[6a]2)(CFH)(OS)	O(SC[6a]OO)(CC[6a]C)	C(CC[6a]O)(F)(H)	C(C[6a]C[6a]2)(CFH)(OS)	O(SC[6a]OO)(CC[6a]C)	C(CC[6a]O)(F)(H)	116.3600	0.000	1	116.3600	0.000	1	116.3600	0.000	1	121.2801	37.762	7	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	4:3:	3:2:1:	C-3:C-3:O-2:	C-4:C-3:	C-3:O-2:O-1:	C(CCH)(COO)(OC)	O(CC[6]HH)(CCC)	C(CCO)(OC)(O)	C(CCH)(COO)(OC)	O(CC[6]HH)(CCC)	C(CCO)(OC)(O)	112.5830	0.000	1	112.5830	0.000	1	112.1647	24.961	4	113.6981	29.452	7	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	4:3:	3:2:1:	C-3:C-3:O-2:	C-4:C-3:	C-3:O-2:O-1:	C(CCH)(COO)(OC)	O(CC[6a]CH)(CCC)	C(CCO)(OC)(O)	C(CCH)(COO)(OC)	O(CC[6a]CH)(CCC)	C(CCO)(OC)(O)	107.0330	0.000	1	107.0330	0.000	1	112.1647	24.961	4	113.6981	29.452	7	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	4:3:	3:2:1:	C-3:C-3:O-2:	C-4:C-3:	C-3:O-2:O-1:	C(CCH)(COO)(OC)	O(CC[6a]HO)(CCC)	C(CCO)(OC)(O)	C(CCH)(COO)(OC)	O(CC[6a]HO)(CCC)	C(CCO)(OC)(O)	110.2050	0.000	1	110.2050	0.000	1	112.1647	24.961	4	113.6981	29.452	7	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	4:3:	3:2:1:	C-3:C-3:O-2:	C-4:C-3:	C-3:O-2:O-1:	C(CN[5a]H)(COO)(OC)	O(CCHH)(CCC)	C(CCO)(OC)(O)	C(CN[5a]H)(COO)(OC)	O(CCHH)(CCC)	C(CCO)(OC)(O)	118.8380	0.000	1	118.8380	0.000	1	112.1647	24.961	4	113.6981	29.452	7	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	4:3:	3:2:1:	C-3:C-3:O-2:	C-4:C-3:	C-3:S-2:H-1:	C(CCH)(CHS)(OC)	O(CH3)(CCC)	C(CCO)(SPt)(H)	C(CCH)(CHS)(OC)	O(CH3)(CCC)	C(CCO)(SPt)(H)	122.9970	0.000	1	122.9970	0.000	1	122.9970	0.000	1	113.6981	29.452	7	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	4:3:	3:2:1:	C-3:C-3:O-2:	P-4:C-3:	C-3:O-2:O-1:	C(CHH)(COO)(OP)	O(PO3)(CCC)	C(CCO)(OH)(O)	C(CHH)(COO)(OP)	O(PO3)(CCC)	C(CCO)(OH)(O)	111.4270	0.000	1	111.4270	0.000	1	111.4270	0.000	1	113.6981	29.452	7	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	4:3:	3:2:1:	C-3:C-3:O-2:	S-4:C-3:	C-3:O-2:O-1:	C(CC[5a]H)(COO)(OS)	O(SC[6a]OO)(CCC)	C(CCO)(OC)(O)	C(CC[5a]H)(COO)(OS)	O(SC[6a]OO)(CCC)	C(CCO)(OC)(O)	112.8040	0.000	1	112.8040	0.000	1	112.8040	0.000	1	113.6981	29.452	7	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	4:3:	3:2:2:	C-3:C-3:O-2:	C-4:C-3:	C-3:C-2:C-2:	C(CCC)2(OC)	O(CCHH)(CCC)	C(CCO)(CN)2	C(CCC)2(OC)	O(CCHH)(CCC)	C(CCO)(CN)2	116.5096	3.821	26	116.5096	14.600	26	116.5267	15.975	30	116.3197	16.449	33	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	4:3:	3:2:2:	C-3:C-3:O-2:	C-4:C-3:	C-3:C-2:C-2:	C(CCC)2(OC)	O(CH3)(CCC)	C(CCO)(CN)2	C(CCC)2(OC)	O(CH3)(CCC)	C(CCO)(CN)2	116.6380	5.722	4	116.6380	32.744	4	116.5267	15.975	30	116.3197	16.449	33	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	4:3:	3:2:2:	C-3:C-3:O-2:	C-4:C-3:	C-3:S-2:S-2:	C(CC[6a]O)(CSS)(OC)	O(CC[6a]HH)(CCC)	C(CCO)(SC)2	C(CC[6a]O)(CSS)(OC)	O(CC[6a]HH)(CCC)	C(CCO)(SC)2	119.9070	0.000	1	119.9070	0.000	1	119.9070	0.000	1	116.3197	16.449	33	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	4:3:	3:2:2:	N-3:C-3:O-2:	C-4:C-3:	C-3:C-2:N-2:	C(NCoH)(CCN)(OC)	O(CH3)(CCN)	C(CNO)(CN)(NN)	C(NCoH)(CCN)(OC)	O(CH3)(CCN)	C(CNO)(CN)(NN)	112.1040	0.000	1	112.1040	0.000	1	111.4210	0.933	2	116.3197	16.449	33	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	4:3:	3:2:2:	N-3:C-3:O-2:	C-4:C-3:	C-3:C-2:N-2:	C(NCuH)(CCN)(OC)	O(CH3)(CCN)	C(CNO)(CN)(NN)	C(NCuH)(CCN)(OC)	O(CH3)(CCN)	C(CNO)(CN)(NN)	110.7380	0.000	1	110.7380	0.000	1	111.4210	0.933	2	116.3197	16.449	33	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	4:3:	3:2:3:	C-3:C-3:O-2:	C-4:C-3:	C-3:N-2:C-3:	C(CC[6a]H)(CCN)(OC)	O(CCHH)(CCC)	C(CC[6a]O)(NC[6a])(CCO)	C(CC[6a]H)(CCN)(OC)	O(CCHH)(CCC)	C(CC[6a]O)(NC[6a])(CCO)	117.6940	0.000	1	117.6940	0.000	1	117.6940	0.000	1	117.6940	0.000	1	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	4:3:	3:3:1:	C-3:C-3:O-2:	B-4:C-3:	C-3:C-3:H-1:	C(CCH)2(OB)	O(BF3)(CCC)	C(CC[6a]H)(CCO)(H)	C(CCH)2(OB)	O(BF3)(CCC)	C(CC[6a]H)(CCO)(H)	118.7820	3.169	2	118.7820	10.044	2	118.7820	10.044	2	118.9285	32.985	68	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	4:3:	3:3:1:	C-3:C-3:O-2:	C-4:C-3:	C-3:C-3:H-1:	C(CCC)(CCH)(OC)	O(CCHH)(CCC)	C(CReO)(CCO)(H)	C(CCC)(CCH)(OC)	O(CCHH)(CCC)	C(CReO)(CCO)(H)	121.7670	0.000	1	121.7670	0.000	1	119.8089	44.714	26	118.9285	32.985	68	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	4:3:	3:3:1:	C-3:C-3:O-2:	C-4:C-3:	C-3:C-3:H-1:	C(CCC)(CCH)(OC)	O(CC[6a]HH)(CCC)	C(CCH)(CCO)(H)	C(CCC)(CCH)(OC)	O(CC[6a]HH)(CCC)	C(CCH)(CCO)(H)	119.1010	0.000	1	119.1010	0.000	1	119.8089	44.714	26	118.9285	32.985	68	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	4:3:	3:3:1:	C-3:C-3:O-2:	C-4:C-3:	C-3:C-3:H-1:	C(CCC)(CCH)(OC)	O(CH3)(CCC)	C(CReO)(CCO)(H)	C(CCC)(CCH)(OC)	O(CH3)(CCC)	C(CReO)(CCO)(H)	121.4330	0.000	1	121.4330	0.000	1	119.8089	44.714	26	118.9285	32.985	68	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	4:3:	3:3:1:	C-3:C-3:O-2:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(CCO)(OC)	O(CH3)(CCC)	C(CCH)(CCO)(H)	C(CCH)(CCO)(OC)	O(CH3)(CCC)	C(CCH)(CCO)(H)	122.5125	0.483	4	122.5125	0.234	4	119.8089	44.714	26	118.9285	32.985	68	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	4:3:	3:3:1:	C-3:C-3:O-2:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(CCO)(OC)	O(CH3)(CCC)	C(CN[5]O)(CCO)(H)	C(CCH)(CCO)(OC)	O(CH3)(CCC)	C(CN[5]O)(CCO)(H)	125.7340	0.330	2	125.7340	0.109	2	119.8089	44.714	26	118.9285	32.985	68	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	4:3:	3:3:1:	C-3:C-3:O-2:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(CHS)(OC)	O(CH3)(CCC)	C(CPtH)(CCO)(H)	C(CCH)(CHS)(OC)	O(CH3)(CCC)	C(CPtH)(CCO)(H)	109.2880	0.000	1	109.2880	0.000	1	119.8089	44.714	26	118.9285	32.985	68	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	4:3:	3:3:1:	C-3:C-3:O-2:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(COO)(OC)	O(CC[6]HH)(CCC)	C(CCO)(COO)(H)	C(CCH)(COO)(OC)	O(CC[6]HH)(CCC)	C(CCO)(COO)(H)	130.9310	0.000	1	130.9310	0.000	1	119.8089	44.714	26	118.9285	32.985	68	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	4:3:	3:3:1:	C-3:C-3:O-2:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)(COO)(OC)	O(CC[6a]CH)(CCC)	C(CCO)(COO)(H)	C(CCH)(COO)(OC)	O(CC[6a]CH)(CCC)	C(CCO)(COO)(H)	126.2570	0.000	1	126.2570	0.000	1	119.8089	44.714	26	118.9285	32.985	68	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	4:3:	3:3:1:	C-3:C-3:O-2:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)2(OC)	O(CCHH)(CCC)	C(CCH)(CCO)(H)	C(CCH)2(OC)	O(CCHH)(CCC)	C(CCH)(CCO)(H)	117.3317	6.983	4	117.3317	48.757	4	119.8089	44.714	26	118.9285	32.985	68	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	4:3:	3:3:1:	C-3:C-3:O-2:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)2(OC)	O(CH3)(CCC)	C(CCC)(CCO)(H)	C(CCH)2(OC)	O(CH3)(CCC)	C(CCC)(CCO)(H)	125.1580	0.000	1	125.1580	0.000	1	119.8089	44.714	26	118.9285	32.985	68	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	4:3:	3:3:1:	C-3:C-3:O-2:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)2(OC)	O(CH3)(CCC)	C(CCH)(CCO)(H)	C(CCH)2(OC)	O(CH3)(CCC)	C(CCH)(CCO)(H)	119.7050	7.809	3	119.7050	60.975	3	119.8089	44.714	26	118.9285	32.985	68	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	4:3:	3:3:1:	C-3:C-3:O-2:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)2(OC)	O(CH3)(CCC)	C(CC[5]H)(CCO)(H)	C(CCH)2(OC)	O(CH3)(CCC)	C(CC[5]H)(CCO)(H)	117.2980	10.492	2	117.2980	110.083	2	119.8089	44.714	26	118.9285	32.985	68	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	4:3:	3:3:1:	C-3:C-3:O-2:	C-4:C-3:	C-3:C-3:H-1:	C(CCH)2(OC)	O(CH3)(CCC)	C(CC[5x3,5x5,20x6]H)(CCO)(H)	C(CCH)2(OC)	O(CH3)(CCC)	C(CC[5x3,5x5,20x6]H)(CCO)(H)	107.9310	0.482	2	107.9310	0.233	2	119.8089	44.714	26	118.9285	32.985	68	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	4:3:	3:3:1:	C-3:C-3:O-2:	C-4:C-3:	C-3:C-3:H-1:	C(CC[5]H)(CCH)(OC)	O(CCHH)(CCC)	C(CCO)(COO)(H)	C(CC[5]H)(CCH)(OC)	O(CCHH)(CCC)	C(CCO)(COO)(H)	122.2850	0.000	1	122.2850	0.000	1	119.8089	44.714	26	118.9285	32.985	68	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	4:3:	3:3:1:	C-3:C-3:O-2:	C-4:C-3:	C-3:C-3:H-1:	C(CC[6a]C)(CCH)(OC)	O(CH3)(CCC)	C(CC[6a]C)(CCO)(H)	C(CC[6a]C)(CCH)(OC)	O(CH3)(CCC)	C(CC[6a]C)(CCO)(H)	118.3940	0.000	1	118.3940	0.000	1	119.8089	44.714	26	118.9285	32.985	68	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	4:3:	3:3:1:	C-3:C-3:O-2:	C-4:C-3:	C-3:C-3:O-1:	C(CCH)(CCO)(OC)	O(CH3)(CCC)	C(CCH)(CCO)(O)	C(CCH)(CCO)(OC)	O(CH3)(CCC)	C(CCH)(CCO)(O)	109.7560	0.000	1	109.7560	0.000	1	112.4020	21.780	5	118.9285	32.985	68	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	4:3:	3:3:1:	C-3:C-3:O-2:	C-4:C-3:	C-3:C-3:O-1:	C(CCO)(CHN)(OC)	O(CC3)(CCC)	C(CCO)(CNO)(O)	C(CCO)(CHN)(OC)	O(CC3)(CCC)	C(CCO)(CNO)(O)	117.7730	0.000	1	117.7730	0.000	1	112.4020	21.780	5	118.9285	32.985	68	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	4:3:	3:3:1:	C-3:C-3:O-2:	C-4:C-3:	C-3:C-3:O-1:	C(CCO)(CHN)(OC)	O(CH3)(CCC)	C(CCO)(CNO)(O)	C(CCO)(CHN)(OC)	O(CH3)(CCC)	C(CCO)(CNO)(O)	117.1680	0.000	1	117.1680	0.000	1	112.4020	21.780	5	118.9285	32.985	68	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	4:3:	3:3:1:	C-3:C-3:O-2:	C-4:C-3:	C-3:C-3:O-1:	C(CC[6a]H)(CCO)(OC)	O(CH3)(CCC)	C(CCC)(CCO)(O)	C(CC[6a]H)(CCO)(OC)	O(CH3)(CCC)	C(CCC)(CCO)(O)	108.6565	0.705	2	108.6565	0.497	2	112.4020	21.780	5	118.9285	32.985	68	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	4:3:	3:3:1:	C-3:C-3:O-2:	C-4:C-3:	C-3:N-3:H-1:	C(CCO)(CHN)(OC)	O(CC3)(CCC)	C(CCO)(NCC)(H)	C(CCO)(CHN)(OC)	O(CC3)(CCC)	C(CCO)(NCC)(H)	122.4300	0.000	1	122.4300	0.000	1	123.4035	1.895	2	118.9285	32.985	68	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	4:3:	3:3:1:	C-3:C-3:O-2:	C-4:C-3:	C-3:N-3:H-1:	C(CCO)(CHN)(OC)	O(CH3)(CCC)	C(CCO)(NCH)(H)	C(CCO)(CHN)(OC)	O(CH3)(CCC)	C(CCO)(NCH)(H)	124.3770	0.000	1	124.3770	0.000	1	123.4035	1.895	2	118.9285	32.985	68	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	4:3:	3:3:1:	C-3:C-3:O-2:	C-4:C-3:	C-3:N-3:O-1:	C(CCO)(CNO)(OC)	O(CCHH)(CCC)	C(CCO)(NCH)(O)	C(CCO)(CNO)(OC)	O(CCHH)(CCC)	C(CCO)(NCH)(O)	115.0880	0.000	1	115.0880	0.000	1	116.4825	3.889	2	118.9285	32.985	68	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	4:3:	3:3:1:	C-3:C-3:O-2:	C-4:C-3:	C-3:N-3:O-1:	C(CC[6a]C)(CNO)(OC)	O(CC[6a]HH)(CCC)	C(CCO)(NCC)(O)	C(CC[6a]C)(CNO)(OC)	O(CC[6a]HH)(CCC)	C(CCO)(NCC)(O)	117.8770	0.000	1	117.8770	0.000	1	116.4825	3.889	2	118.9285	32.985	68	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	4:3:	3:3:1:	C-3:C-3:O-2:	C-4:C-3:	C[5]-3:C-3:H-1:	C(CC[5]H)(CCH)(OC)	O(CCHH)(CCC)	C(C[5]C[5,6a]C[5])(CCO)(H)	C(CC[5]H)(CCH)(OC)	O(CCHH)(CCC)	C(C[5]C[5,6a]C[5])(CCO)(H)	114.0420	0.000	1	114.0420	0.000	1	114.0420	0.000	1	118.9285	32.985	68	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	4:3:	3:3:1:	C-3:C-3:O-2:	C-4:C-3:	C[5a]-3:C-3:O-1:	C(CC[5a]O)(CHH)(OC)	O(CC[6a]HH)(CCC)	C(C[5a]C[5a]O[5a])(CCO)(O)	C(CC[5a]O)(CHH)(OC)	O(CC[6a]HH)(CCC)	C(C[5a]C[5a]O[5a])(CCO)(O)	112.5910	0.000	1	112.5910	0.000	1	112.5910	0.000	1	118.9285	32.985	68	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	4:3:	3:3:1:	C-3:C-3:O-2:	C-4:C-3:	C[6a]-3:C-3:H-1:	C(CC[6a]H)(CCN)(OC)	O(CCHH)(CCC)	C(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]H)(CCN)(OC)	O(CCHH)(CCC)	C(C[6a]C[6a]2)(CCO)(H)	120.8360	0.000	1	120.8360	0.000	1	121.2187	0.156	3	118.9285	32.985	68	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	4:3:	3:3:1:	C-3:C-3:O-2:	C-4:C-3:	C[6a]-3:C-3:H-1:	C(CC[6a]H)(CCO)(OC)	O(CH3)(CCC)	C(C[6a]C[6a,6a]C[6a])(CCO)(H)	C(CC[6a]H)(CCO)(OC)	O(CH3)(CCC)	C(C[6a]C[6a,6a]C[6a])(CCO)(H)	121.4100	0.305	2	121.4100	0.093	2	121.2187	0.156	3	118.9285	32.985	68	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	4:3:	3:3:1:	C-3:C-3:O-2:	C-4:C-3:	C[6a]-3:C-3:O-1:	C(CC[6a]O)(CSS)(OC)	O(CC[6a]HH)(CCC)	C(C[6a]C[6a]2)(CCO)(O)	C(CC[6a]O)(CSS)(OC)	O(CC[6a]HH)(CCC)	C(C[6a]C[6a]2)(CCO)(O)	117.2970	0.000	1	117.2970	0.000	1	117.2970	0.000	1	118.9285	32.985	68	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	4:3:	3:3:1:	C-3:C-3:O-2:	C-4:C-3:	N-3:C-3:H-1:	C(CCO)(CHN)(OC)	O(CH3)(CCC)	C(NC[6a]C)(CCO)(H)	C(CCO)(CHN)(OC)	O(CH3)(CCC)	C(NC[6a]C)(CCO)(H)	122.8150	0.000	1	122.8150	0.000	1	122.8150	0.000	1	118.9285	32.985	68	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	4:3:	3:3:1:	C-3:C-3:O-2:	C-4:C-3:	N[5a]-3:C-3:H-1:	C(CN[5a]H)(COO)(OC)	O(CCHH)(CCC)	C(N[5a]C[5a]2)(CCO)(H)	C(CN[5a]H)(COO)(OC)	O(CCHH)(CCC)	C(N[5a]C[5a]2)(CCO)(H)	120.1460	0.000	1	120.1460	0.000	1	120.1460	0.000	1	118.9285	32.985	68	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	4:3:	3:3:1:	C-3:C-3:O-2:	S-4:C-3:	C-3:C-3:H-1:	C(CCH)(CCO)(OS)	O(SC[6a]OO)(CCC)	C(CCC)(CCO)(H)	C(CCH)(CCO)(OS)	O(SC[6a]OO)(CCC)	C(CCC)(CCO)(H)	115.3090	0.000	1	115.3090	0.000	1	116.1337	3.774	4	118.9285	32.985	68	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	4:3:	3:3:1:	C-3:C-3:O-2:	S-4:C-3:	C-3:C-3:H-1:	C(CCH)(CCO)(OS)	O(SC[6a]OO)(CCC)	C(CCH)(CCO)(H)	C(CCH)(CCO)(OS)	O(SC[6a]OO)(CCC)	C(CCH)(CCO)(H)	118.0760	0.000	1	118.0760	0.000	1	116.1337	3.774	4	118.9285	32.985	68	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	4:3:	3:3:1:	C-3:C-3:O-2:	S-4:C-3:	C-3:C-3:H-1:	C(CCH)2(OS)	O(SC[6a]OO)(CCC)	C(CCO)(COO)(H)	C(CCH)2(OS)	O(SC[6a]OO)(CCC)	C(CCO)(COO)(H)	117.3420	0.000	1	117.3420	0.000	1	116.1337	3.774	4	118.9285	32.985	68	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	4:3:	3:3:1:	C-3:C-3:O-2:	S-4:C-3:	C-3:C-3:H-1:	C(CCH)2(OS)	O(SC[6a]OO)(CCC)	C(CC[6a]H)(CCO)(H)	C(CCH)2(OS)	O(SC[6a]OO)(CCC)	C(CC[6a]H)(CCO)(H)	113.8080	0.000	1	113.8080	0.000	1	116.1337	3.774	4	118.9285	32.985	68	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	4:3:	3:3:1:	C-3:C-3:O-2:	S-4:C-3:	C-3:C-3:O-1:	C(CCH)(CCO)(OS)	O(SC[6a]OO)(CCC)	C(CBrC)(CCO)(O)	C(CCH)(CCO)(OS)	O(SC[6a]OO)(CCC)	C(CBrC)(CCO)(O)	110.7050	0.000	1	110.7050	0.000	1	110.4510	0.129	2	118.9285	32.985	68	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	4:3:	3:3:1:	C-3:C-3:O-2:	S-4:C-3:	C-3:C-3:O-1:	C(CCH)(CCO)(OS)	O(SC[6a]OO)(CCC)	C(CCH)(CCO)(O)	C(CCH)(CCO)(OS)	O(SC[6a]OO)(CCC)	C(CCH)(CCO)(O)	110.1970	0.000	1	110.1970	0.000	1	110.4510	0.129	2	118.9285	32.985	68	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	4:3:	3:3:1:	C-3:C-3:O-2:	S-4:C-3:	C[5a]-3:C-3:H-1:	C(CC[5a]H)(COO)(OS)	O(SC[6a]OO)(CCC)	C(C[5a]C[5a,6a]C[5a])(CCO)(H)	C(CC[5a]H)(COO)(OS)	O(SC[6a]OO)(CCC)	C(C[5a]C[5a,6a]C[5a])(CCO)(H)	123.1030	0.000	1	123.1030	0.000	1	123.1030	0.000	1	118.9285	32.985	68	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	4:3:	3:3:1:	C[6a]-3:C-3:O-2:	B-4:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OB)	O(BC[6a]3)(CC[6a]C)	C(CC[6a]N)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(OB)	O(BC[6a]3)(CC[6a]C)	C(CC[6a]N)(CC[6a]O)(H)	124.6070	0.000	1	124.6070	0.000	1	124.7512	0.094	4	118.9285	32.985	68	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	4:3:	3:3:1:	C[6a]-3:C-3:O-2:	B-4:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OB)	O(BC[6a]3)(CC[6a]C)	C(CC[6a]O)(CCP)(H)	C(C[6a]C[6a]2)(CCH)(OB)	O(BC[6a]3)(CC[6a]C)	C(CC[6a]O)(CCP)(H)	124.7993	0.357	3	124.7993	0.127	3	124.7512	0.094	4	118.9285	32.985	68	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	4:3:	3:3:1:	C[6a]-3:C-3:O-2:	C-4:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OC)	O(CC[6a]CH)(CC[6a]C)	C(CC[6a]O)(COO)(H)	C(C[6a]C[6a]2)(CCH)(OC)	O(CC[6a]CH)(CC[6a]C)	C(CC[6a]O)(COO)(H)	119.5080	0.328	2	119.5080	0.108	2	119.5080	0.108	2	118.9285	32.985	68	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	4:3:	3:3:1:	C[6a]-3:C-3:O-2:	S-4:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(OS)	O(SC[6a]OO)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[6a]H)(OS)	O(SC[6a]OO)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]O)(H)	115.6150	0.000	3	115.6150	0.000	3	115.6150	0.000	3	118.9285	32.985	68	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	4:3:	3:3:1:	N-3:C-3:O-2:	C-4:C-3:	C-3:C-3:H-1:	C(NC[6a]Rh)(CCH)(OC)	O(CCHH)(CCN)	C(CNO)2(H)	C(NC[6a]Rh)(CCH)(OC)	O(CCHH)(CCN)	C(CNO)2(H)	120.1140	0.594	2	120.1140	0.353	2	116.5947	37.334	3	118.9285	32.985	68	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	4:3:	3:3:1:	N-3:C-3:O-2:	C-4:C-3:	C-3:C-3:H-1:	C(NZnH)(CCH)(OC)	O(CH3)(CCN)	C(CHN)(CNO)(H)	C(NZnH)(CCH)(OC)	O(CH3)(CCN)	C(CHN)(CNO)(H)	109.5560	0.000	1	109.5560	0.000	1	116.5947	37.334	3	118.9285	32.985	68	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	4:3:	3:3:1:	N-3:C-3:O-2:	C-4:C-3:	N-3:C-3:O-1:	C(NNiC)(CNO)(OC)	O(CCCH)(CCN)	C(NC[6a]Ni)(CNO)(O)	C(NNiC)(CNO)(OC)	O(CCCH)(CCN)	C(NC[6a]Ni)(CNO)(O)	123.7900	0.158	2	123.7900	0.025	2	123.7900	0.025	2	118.9285	32.985	68	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	4:3:	3:3:1:	N[5]-3:C-3:O-2:	Si-4:C-3:	C-3:C-3:H-1:	C(N[5]C[5]2)(CCH)(OSi)	O(SiC[6a]2C)(CN[5]C)	C(CN[5]O)(CCH)(H)	C(N[5]C[5]2)(CCH)(OSi)	O(SiC[6a]2C)(CN[5]C)	C(CN[5]O)(CCH)(H)	125.7215	0.803	2	125.7215	0.644	2	125.7215	0.644	2	118.9285	32.985	68	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	4:3:	3:3:2:	C-3:C-3:O-2:	C-4:C-3:	C-3:C-3:O-2:	C(CCH)(CCO)(OC)	O(CH3)(CCC)	C(CCH)(CCO)(OH)	C(CCH)(CCO)(OC)	O(CH3)(CCC)	C(CCH)(CCO)(OH)	112.7003	0.323	3	112.7003	0.104	3	112.7003	0.104	3	113.2880	2.041	10	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	4:3:	3:3:2:	N-3:C-3:O-2:	C-4:C-3:	C-3:C-3:C-2:	C(NRuH)(CCC)(OC)	O(CH3)(CCN)	C(CRuC)(CNO)(CN)	C(NRuH)(CCC)(OC)	O(CH3)(CCN)	C(CRuC)(CNO)(CN)	115.8620	0.000	1	115.8620	0.000	1	115.8620	0.000	1	113.2880	2.041	10	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	4:3:	3:3:2:	N-3:C-3:O-2:	C-4:C-3:	N-3:C-3:C-2:	C(NCuH)(CCN)(OC)	O(CH3)(CCN)	C(NCuO)(CNO)(CN)	C(NCuH)(CCN)(OC)	O(CH3)(CCN)	C(NCuO)(CNO)(CN)	111.6755	1.654	2	111.6755	2.735	2	112.5478	1.926	4	113.2880	2.041	10	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	4:3:	3:3:2:	N-3:C-3:O-2:	C-4:C-3:	N-3:C-3:C-2:	C(NNiH)(CCN)(OC)	O(CH3)(CCN)	C(NNiO)(CNO)(CN)	C(NNiH)(CCN)(OC)	O(CH3)(CCN)	C(NNiO)(CNO)(CN)	113.4200	0.000	2	113.4200	0.000	2	112.5478	1.926	4	113.2880	2.041	10	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	4:3:	3:3:2:	N-3:C-3:O-2:	C-4:C-3:	N-3:C-3:O-2:	C(NCoO)(CNO)(OC)	O(CCHH)(CCN)	C(NCoO)(CNO)(OC)	C(NCoO)(CNO)(OC)	O(CCHH)(CCN)	C(NCoO)(CNO)(OC)	114.3630	0.464	2	114.3630	0.215	2	114.3630	0.215	2	113.2880	2.041	10	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	4:3:	3:3:3:	C-3:C-3:O-2:	C-4:C-3:	C-3:C-3:C-3:	C(CCC)(CCH)(OC)	O(CCHH)(CCC)	C(CC[6a]Re)(CCO)(COO)	C(CCC)(CCH)(OC)	O(CCHH)(CCC)	C(CC[6a]Re)(CCO)(COO)	110.6830	0.000	1	110.6830	0.000	1	110.6340	0.005	2	115.9313	11.602	11	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	4:3:	3:3:3:	C-3:C-3:O-2:	C-4:C-3:	C-3:C-3:C-3:	C(CCC)(CCH)(OC)	O(CH3)(CCC)	C(CC[6a]Re)(CCO)(COO)	C(CCC)(CCH)(OC)	O(CH3)(CCC)	C(CC[6a]Re)(CCO)(COO)	110.5850	0.000	1	110.5850	0.000	1	110.6340	0.005	2	115.9313	11.602	11	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	4:3:	3:3:3:	C-3:C-3:O-2:	C-4:C-3:	C[6a]-3:C-3:C-3:	C(CC[6a]C)(CCH)(OC)	O(CH3)(CCC)	C(C[6a]C[6a]2)(CCO)2	C(CC[6a]C)(CCH)(OC)	O(CH3)(CCC)	C(C[6a]C[6a]2)(CCO)2	113.3030	0.000	1	113.3030	0.000	1	116.2250	17.076	2	115.9313	11.602	11	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	4:3:	3:3:3:	C-3:C-3:O-2:	C-4:C-3:	C[6a]-3:C-3:C-3:	C(CC[6a]C)(CNO)(OC)	O(CC[6a]HH)(CCC)	C(C[6a]C[6a]2)(CCH)(CCO)	C(CC[6a]C)(CNO)(OC)	O(CC[6a]HH)(CCC)	C(C[6a]C[6a]2)(CCH)(CCO)	119.1470	0.000	1	119.1470	0.000	1	116.2250	17.076	2	115.9313	11.602	11	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	4:3:	3:3:3:	C-3:C-3:O-2:	C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C(CC[6a]2)(CRuH)(OC)	O(CRu2C)(CCC)	C(C[6a]C[6a]2)2(CCO)	C(CC[6a]2)(CRuH)(OC)	O(CRu2C)(CCC)	C(C[6a]C[6a]2)2(CCO)	117.0990	0.000	1	117.0990	0.000	1	117.0990	0.000	1	115.9313	11.602	11	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	4:3:	3:3:3:	C-3:N-3:O-2:	B-4:C-3:	C[6a]-3:C-3:C-3:	C(CC[6a]C)(NC[6a]B)(OB)	O(BC[6a]CN)(CCN)	C(C[6a]C[6a]2)(CC[6a]C)(CNO)	C(CC[6a]C)(NC[6a]B)(OB)	O(BC[6a]CN)(CCN)	C(C[6a]C[6a]2)(CC[6a]C)(CNO)	114.9110	0.421	2	114.9110	0.178	2	114.9110	0.178	2	115.9313	11.602	11	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	4:3:	3:3:3:	C[6a]-3:C-3:O-2:	C-4:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(OC)	O(CC[6a]CO)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]O)(CNO)	C(C[6a]C[6a]2)(CC[6a]C)(OC)	O(CC[6a]CO)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]O)(CNO)	119.4230	0.902	2	119.4230	0.814	2	118.3203	4.055	3	115.9313	11.602	11	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	4:3:	3:3:3:	C[6a]-3:C-3:O-2:	C-4:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(OC)	O(CC[6a]CO)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]O)(COO)	C(C[6a]C[6a]2)(CC[6a]C)(OC)	O(CC[6a]CO)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]O)(COO)	116.1150	0.000	1	116.1150	0.000	1	118.3203	4.055	3	115.9313	11.602	11	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	4:3:	3:3:3:	C[6a]-3:C-3:O-2:	P[6]-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]2)(OP[6])	O(P[6]O[6]2O)(CC[6a]C)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CC[6a]O)	C(C[6a]C[6a]2)(CC[6a]2)(OP[6])	O(P[6]O[6]2O)(CC[6a]C)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CC[6a]O)	119.6440	0.000	1	119.6440	0.000	1	119.6440	0.000	1	115.9313	11.602	11	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	4:3:	3:3:4:	C[6a]-3:C-3:O-2:	S-4:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)(CC[6a]C)(OS)	O(SC[6a]OO)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C(C[6a]C[6a]2)(CC[6a]C)(OS)	O(SC[6a]OO)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]O)(CCHH)	116.9212	0.535	19	116.9212	0.286	19	117.0465	0.355	22	117.0465	0.355	22	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	4:3:	3:3:4:	C[6a]-3:C-3:O-2:	S-4:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)(CC[6a]C)(OS)	O(SC[6a]OO)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]O)(CH3)	C(C[6a]C[6a]2)(CC[6a]C)(OS)	O(SC[6a]OO)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]O)(CH3)	117.5600	0.000	1	117.5600	0.000	1	117.0465	0.355	22	117.0465	0.355	22	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	4:3:	3:3:4:	C[6a]-3:C-3:O-2:	S-4:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)(CC[6a]C)(OS)	O(SC[6a]OO)(CC[6a]C)	C(C[6a]C[6a]N[6a])(CC[6a]O)(CCHH)	C(C[6a]C[6a]2)(CC[6a]C)(OS)	O(SC[6a]OO)(CC[6a]C)	C(C[6a]C[6a]N[6a])(CC[6a]O)(CCHH)	118.0470	0.000	1	118.0470	0.000	1	117.0465	0.355	22	117.0465	0.355	22	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	4:3:	3:3:4:	C[6a]-3:C-3:O-2:	S-4:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]N[6a])(CC[6a]C)(OS)	O(SC[6a]OO)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C(C[6a]C[6a]N[6a])(CC[6a]C)(OS)	O(SC[6a]OO)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]O)(CCHH)	117.9130	0.000	1	117.9130	0.000	1	117.0465	0.355	22	117.0465	0.355	22	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	4:3:	3:4:1:	C[6a]-3:C-3:O-2:	P-4:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CCH)(OP)	O(PC[6a]BN)(CC[6a]C)	C(CC[6a]O)(CH3)(H)	C(C[6a]C[6a]2)(CCH)(OP)	O(PC[6a]BN)(CC[6a]C)	C(CC[6a]O)(CH3)(H)	120.5120	0.000	1	120.5120	0.000	1	120.5120	0.000	1	118.4220	8.736	2	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	4:3:	3:4:1:	C[6a]-3:C-3:O-2:	S-4:C-3:	C-3:C-4:F-1:	C(C[6a]C[6a]2)(CCF)(OS)	O(SC[6a]OO)(CC[6a]C)	C(CC[6a]O)(CH3)(F)	C(C[6a]C[6a]2)(CCF)(OS)	O(SC[6a]OO)(CC[6a]C)	C(CC[6a]O)(CH3)(F)	116.3320	0.000	1	116.3320	0.000	1	116.3320	0.000	1	118.4220	8.736	2	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	4:3:	3:4:3:	C-3:C-3:O-2:	S-4:C-3:	C-3:C-4:C-3:	C(CCC)(CHH)(OS)	O(SC[6a]OO)(CCC)	C(CC[6a]H)(CH3)(CCO)	C(CCC)(CHH)(OS)	O(SC[6a]OO)(CCC)	C(CC[6a]H)(CH3)(CCO)	114.7910	0.000	1	114.7910	0.000	1	114.7910	0.000	1	116.0863	4.081	3	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	4:3:	3:4:3:	C[6a]-3:C-3:O-2:	S-4:C-3:	C[6a]-3:C-4:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(OS)	O(SC[6a]OO)(CC[6a]C)	C(C[6a]C[6a]2)(CC[3]HH)(CC[6a]O)	C(C[6a]C[6a]2)(CC[6a]C)(OS)	O(SC[6a]OO)(CC[6a]C)	C(C[6a]C[6a]2)(CC[3]HH)(CC[6a]O)	116.7340	2.376	2	116.7340	5.645	2	116.7340	5.645	2	116.0863	4.081	3	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	4:3:	4:3:1:	C-3:C-3:O-2:	C-4:C-3:	C-4:C-3:H-1:	C(CCH)(CCO)(OC)	O(CH3)(CCC)	C(CCCH)(CCO)(H)	C(CCH)(CCO)(OC)	O(CH3)(CCC)	C(CCCH)(CCO)(H)	125.6030	0.000	1	125.6030	0.000	1	125.2880	2.084	3	117.7462	65.335	12	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	4:3:	4:3:1:	C-3:C-3:O-2:	C-4:C-3:	C-4:C-3:H-1:	C(CCH)(CCO)(OC)	O(CH3)(CCC)	C(CC[5]CH)(CCO)(H)	C(CCH)(CCO)(OC)	O(CH3)(CCC)	C(CC[5]CH)(CCO)(H)	123.7130	0.000	1	123.7130	0.000	1	125.2880	2.084	3	117.7462	65.335	12	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	4:3:	4:3:1:	C-3:C-3:O-2:	C-4:C-3:	C-4:C-3:H-1:	C(CCH)(COO)(OC)	O(CC[6a]HO)(CCC)	C(CC[6a]CH)(CCO)(H)	C(CCH)(COO)(OC)	O(CC[6a]HO)(CCC)	C(CC[6a]CH)(CCO)(H)	126.5480	0.000	1	126.5480	0.000	1	125.2880	2.084	3	117.7462	65.335	12	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	4:3:	4:3:1:	C-3:C-3:O-2:	C-4:C-3:	C-4:C-3:O-1:	C(CCH)(CCO)(OC)	O(CH3)(CCC)	C(CCHH)(CCO)(O)	C(CCH)(CCO)(OC)	O(CH3)(CCC)	C(CCHH)(CCO)(O)	110.1310	0.000	1	110.1310	0.000	1	110.0356	2.897	5	117.7462	65.335	12	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	4:3:	4:3:1:	C-3:C-3:O-2:	C-4:C-3:	C-4:C-3:O-1:	C(CCH)(CCO)(OC)	O(CH3)(CCC)	C(CC[5]HH)(CCO)(O)	C(CCH)(CCO)(OC)	O(CH3)(CCC)	C(CC[5]HH)(CCO)(O)	109.1363	1.091	3	109.1363	1.189	3	110.0356	2.897	5	117.7462	65.335	12	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	4:3:	4:3:1:	C-3:C-3:O-2:	C-4:C-3:	C-4:C-3:O-1:	C(CCO)(CHN)(OC)	O(CH3)(CCC)	C(CH3)(CCO)(O)	C(CCO)(CHN)(OC)	O(CH3)(CCC)	C(CH3)(CCO)(O)	112.6380	0.000	1	112.6380	0.000	1	110.0356	2.897	5	117.7462	65.335	12	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	4:3:	4:3:1:	C-3:N-3:O-2:	C-4:C-3:	C-4:C-3:H-1:	C(CCH)(NCS)(OC)	O(CCHH)(CCN)	C(CH3)(CNO)(H)	C(CCH)(NCS)(OC)	O(CCHH)(CCN)	C(CH3)(CNO)(H)	127.3160	0.284	2	127.3160	0.081	2	127.3160	0.081	2	117.7462	65.335	12	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	4:3:	4:3:1:	C[6a]-3:C-3:O-2:	B-4:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OB)	O(BC[6a]2C[5])(CC[6a]C)	C(CC[6a]P[5]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(OB)	O(BC[6a]2C[5])(CC[6a]C)	C(CC[6a]P[5]H)(CC[6a]O)(H)	120.9690	0.000	1	120.9690	0.000	1	120.9690	0.000	1	117.7462	65.335	12	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	4:3:	4:3:1:	N-3:C-3:O-2:	C-4:C-3:	C-4:C-3:H-1:	C(NPtH)(CCH)(OC)	O(CH3)(CCN)	C(CH3)(CNO)(H)	C(NPtH)(CCH)(OC)	O(CH3)(CCN)	C(CH3)(CNO)(H)	111.3120	0.000	1	111.3120	0.000	1	111.3120	0.000	1	117.7462	65.335	12	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	4:3:	4:3:2:	C-3:C-3:O-2:	C-4:C-3:	C-4:C-3:O-2:	C(CCO)(CNO)(OC)	O(CCHH)(CCC)	C(CH3)(CCO)(OC)	C(CCO)(CNO)(OC)	O(CCHH)(CCC)	C(CH3)(CCO)(OC)	118.7470	0.000	1	118.7470	0.000	1	118.7470	0.000	1	118.7470	0.000	1	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	4:3:	4:3:3:	C-3:C-3:O-2:	C-4:C-3:	C-4:C-3:C-3:	C(CCC)(CCH)(OC)	O(CC[6a]HH)(CCC)	C(CF3)(CCH)(CCO)	C(CCC)(CCH)(OC)	O(CC[6a]HH)(CCC)	C(CF3)(CCH)(CCO)	116.5060	0.000	1	116.5060	0.000	1	116.5060	0.000	1	121.6430	52.778	2	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	4:3:	4:3:3:	C[6a]-3:C-3:O-2:	C-4:C-3:	C-4:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(OC)	O(CC[6a]HH)(CC[6a]C)	C(CC[6a]HH)(CC[6a]O)(COO)	C(C[6a]C[6a]2)(CCC)(OC)	O(CC[6a]HH)(CC[6a]C)	C(CC[6a]HH)(CC[6a]O)(COO)	126.7800	0.000	1	126.7800	0.000	1	126.7800	0.000	1	121.6430	52.778	2	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:3:2:	4:3:	4:4:3:	C-3:N-3:O-2:	C-4:C-3:	P-4:Ga-4:C-3:	C(CGaP)(NCC)(OC)	O(CCHH)(CCN)	C(PC[6a]3)(GaCl3)(CNO)	C(CGaP)(NCC)(OC)	O(CCHH)(CCN)	C(PC[6a]3)(GaCl3)(CNO)	118.2205	1.092	2	118.2205	1.194	2	118.2205	1.194	2	118.2205	1.194	2	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:4:2:	3:1:	3:3:2:	C-3:C-4:O-2:	C-3:H-1:	C[6a]-3:C-3:C-2:	C(CC[6a]C)(CH3)(OH)	O(CCC)(H)	C(C[6a]C[6a]2)(CCO)(CN)	C(CC[6a]C)(CH3)(OH)	O(CCC)(H)	C(C[6a]C[6a]2)(CCO)(CN)	119.8640	0.269	2	119.8640	0.072	2	119.8640	0.072	2	119.8640	0.072	2	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:4:2:	3:1:	3:3:3:	C-3:C-4:O-2:	C-3:H-1:	C[5a]-3:C-3:C-3:	C(CC[5a]C)(CH3)(OH)	O(CCC)(H)	C(C[5a]C[5a,6a]C[5a])(CCO)(COO)	C(CC[5a]C)(CH3)(OH)	O(CCC)(H)	C(C[5a]C[5a,6a]C[5a])(CCO)(COO)	122.3000	0.000	1	122.3000	0.000	1	121.9580	0.206	3	121.7369	0.742	24	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:4:2:	3:1:	3:3:3:	C-3:C-4:O-2:	C-3:H-1:	C[5a]-3:C-3:C-3:	C(CC[5a]C)(CH3)(OH)	O(CCC)(H)	C(C[5a]C[5a]O[5a])(CCO)(CNO)	C(CC[5a]C)(CH3)(OH)	O(CCC)(H)	C(C[5a]C[5a]O[5a])(CCO)(CNO)	121.4430	0.000	1	121.4430	0.000	1	121.9580	0.206	3	121.7369	0.742	24	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:4:2:	3:1:	3:3:3:	C-3:C-4:O-2:	C-3:H-1:	C[5a]-3:C-3:C-3:	C(CC[5a]C)(CH3)(OH)	O(CCC)(H)	C(C[5a]C[5a]O[5a])(CCO)(COO)	C(CC[5a]C)(CH3)(OH)	O(CCC)(H)	C(C[5a]C[5a]O[5a])(CCO)(COO)	122.1310	0.000	1	122.1310	0.000	1	121.9580	0.206	3	121.7369	0.742	24	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:4:2:	3:1:	3:3:3:	C-3:C-4:O-2:	C-3:H-1:	C[6]-3:C-3:C-3:	C(CC[6]C)(CH3)(OH)	O(CCC)(H)	C(C[6]C[6]2)(CCO)2	C(CC[6]C)(CH3)(OH)	O(CCC)(H)	C(C[6]C[6]2)(CCO)2	121.0906	0.595	8	121.0906	0.354	8	121.0906	0.354	8	121.7369	0.742	24	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:4:2:	3:1:	3:3:3:	C-3:C-4:O-2:	C-3:H-1:	C[6a]-3:C-3:C-3:	C(CC[6a]C)(CCHH)(OH)	O(CCC)(H)	C(C[6a]C[5,6a]C[6a])(CCO)(COO)	C(CC[6a]C)(CCHH)(OH)	O(CCC)(H)	C(C[6a]C[5,6a]C[6a])(CCO)(COO)	123.5635	0.906	2	123.5635	0.820	2	122.0836	0.761	13	121.7369	0.742	24	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:4:2:	3:1:	3:3:3:	C-3:C-4:O-2:	C-3:H-1:	C[6a]-3:C-3:C-3:	C(CC[6a]C)(CCHH)(OH)	O(CCC)(H)	C(C[6a]C[5a,6a]C[6a])(CCO)(COO)	C(CC[6a]C)(CCHH)(OH)	O(CCC)(H)	C(C[6a]C[5a,6a]C[6a])(CCO)(COO)	122.5560	0.000	1	122.5560	0.000	1	122.0836	0.761	13	121.7369	0.742	24	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:4:2:	3:1:	3:3:3:	C-3:C-4:O-2:	C-3:H-1:	C[6a]-3:C-3:C-3:	C(CC[6a]C)(CCHH)(OH)	O(CCC)(H)	C(C[6a]C[6a]2)(CC[6a]O)(CCO)	C(CC[6a]C)(CCHH)(OH)	O(CCC)(H)	C(C[6a]C[6a]2)(CC[6a]O)(CCO)	122.2240	0.000	1	122.2240	0.000	1	122.0836	0.761	13	121.7369	0.742	24	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:4:2:	3:1:	3:3:3:	C-3:C-4:O-2:	C-3:H-1:	C[6a]-3:C-3:C-3:	C(CC[6a]C)(CH3)(OH)	O(CCC)(H)	C(C[6a]C[6a]2)(CCO)2	C(CC[6a]C)(CH3)(OH)	O(CCC)(H)	C(C[6a]C[6a]2)(CCO)2	121.6867	0.533	9	121.6867	0.284	9	122.0836	0.761	13	121.7369	0.742	24	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:4:2:	3:3:	3:3:1:	C-3:C-4:O-2:	C-3:C-3:	C[6a]-3:C-3:H-1:	C(CC[6a]H)(CCHH)(OC)	O(CCC)(CCN)	C(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]H)(CCHH)(OC)	O(CCC)(CCN)	C(C[6a]C[6a]2)(CCO)(H)	122.9180	0.000	1	122.9180	0.000	1	122.9180	0.000	1	122.9180	0.000	1	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:4:2:	4:3:	3:3:1:	C-3:C-4:O-2:	S-4:C-3:	C[6a]-3:C-3:H-1:	C(CC[6a]H)(CF3)(OS)	O(SCOO)(CCC)	C(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]H)(CF3)(OS)	O(SCOO)(CCC)	C(C[6a]C[6a]2)(CCO)(H)	122.5300	0.000	1	122.5300	0.000	1	122.5300	0.000	1	122.5300	0.000	1	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:4:2:	4:3:	3:4:3:	C-3:C-4:O-2:	Si-4:C-3:	C[6a]-3:C-4:C-3:	C(CC[6a]C)(CCHH)(OSi)	O(SiC[6a]2C)(CCC)	C(C[6a]C[6a]2)(CCHH)(CCO)	C(CC[6a]C)(CCHH)(OSi)	O(SiC[6a]2C)(CCC)	C(C[6a]C[6a]2)(CCHH)(CCO)	120.0640	0.000	1	120.0640	0.000	1	120.0640	0.000	1	120.0640	0.000	1	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	3:4:2:	4:3:	4:3:3:	C-3:C-4:O-2:	Si-4:C-3:	C[5]-4:C-3:C-3:	C(CC[5]C)(CCHH)(OSi)	O(SiC3)(CCC)	C(C[5]C[5]N[5]H)(CCO)(COO)	C(CC[5]C)(CCHH)(OSi)	O(SiC3)(CCC)	C(C[5]C[5]N[5]H)(CCO)(COO)	120.3653	1.531	4	120.3653	2.344	4	120.3653	2.344	4	120.3653	2.344	4	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	4:2:3:	3:3:	4:3:1:	C-4:O-2:C-3:	C[6a]-3:C-3:	C-4:C-3:I-1:	C(CC[6a]CC)(OC[6a])(CCI)	O(C[6a]C[6a]2)(CCC)	C(CH3)(CCO)(I)	C(CC[6a]CC)(OC[6a])(CCI)	O(C[6a]C[6a]2)(CCC)	C(CH3)(CCO)(I)	121.6660	0.000	1	121.6660	0.000	1	121.6660	0.000	1	121.6660	0.000	1	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	4:2:3:	4:3:	3:1:1:	C[5]-4:O-2:C-3:	Si[6]-4:C-3:	C-3:H-1:H-1:	C(C[5]C[5]2Fe)(OSi[6])(CHH)	O(Si[6]N[6]2H)(CC[5]C)	C(CC[5]O)(H)2	C(C[5]C[5]2Fe)(OSi[6])(CHH)	O(Si[6]N[6]2H)(CC[5]C)	C(CC[5]O)(H)2	121.7280	0.000	1	121.7280	0.000	1	121.7280	0.000	1	121.7280	0.000	1	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	4:3:2:	3:1:	2:3:3:	C-4:C-3:O-2:	C-3:H-1:	O-2:C-3:C-3:	C(CC[5]HH)(CCO)(OH)	O(CCC)(H)	C(OC[5])(CCO)(COO)	C(CC[5]HH)(CCO)(OH)	O(CCC)(H)	C(OC[5])(CCO)(COO)	121.7320	0.000	1	121.7320	0.000	1	121.7320	0.000	1	120.5981	0.464	7	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	4:3:2:	3:1:	2:3:3:	C-4:C-3:O-2:	C-3:H-1:	S-2:C-3:C-3:	C(CH3)(CCS)(OH)	O(CCC)(H)	C(SC[5])(CCO)2	C(CH3)(CCS)(OH)	O(CCC)(H)	C(SC[5])(CCO)2	120.4027	0.613	3	120.4027	0.376	3	120.4092	0.256	6	120.5981	0.464	7	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	4:3:2:	3:1:	2:3:3:	C-4:C-3:O-2:	C-3:H-1:	S-2:C-3:C-3:	C(CH3)(CCS)(OH)	O(CCC)(H)	C(SC[5a])(CCO)2	C(CH3)(CCS)(OH)	O(CCC)(H)	C(SC[5a])(CCO)2	120.1815	0.449	2	120.1815	0.202	2	120.4092	0.256	6	120.5981	0.464	7	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	4:3:2:	3:1:	2:3:3:	C-4:C-3:O-2:	C-3:H-1:	S-2:C-3:C-3:	C(CH3)(CCS)(OH)	O(CCC)(H)	C(SC[6a])(CCO)2	C(CH3)(CCS)(OH)	O(CCC)(H)	C(SC[6a])(CCO)2	120.8840	0.000	1	120.8840	0.000	1	120.4092	0.256	6	120.5981	0.464	7	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	4:3:2:	3:1:	3:3:1:	C-4:C-3:O-2:	C-3:H-1:	C-3:C-3:H-1:	C(CC3)(CCH)(OH)	O(CCC)(H)	C(CC[6a]O)(CCO)(H)	C(CC3)(CCH)(OH)	O(CCC)(H)	C(CC[6a]O)(CCO)(H)	121.0440	0.000	1	121.0440	0.000	1	123.5717	3.466	21	123.4542	3.605	22	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	4:3:2:	3:1:	3:3:1:	C-4:C-3:O-2:	C-3:H-1:	C-3:C-3:H-1:	C(CCFF)(CCH)(OH)	O(CCC)(H)	C(CCH)(CCO)(H)	C(CCFF)(CCH)(OH)	O(CCC)(H)	C(CCH)(CCO)(H)	128.5440	0.000	1	128.5440	0.000	1	123.5717	3.466	21	123.4542	3.605	22	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	4:3:2:	3:1:	3:3:1:	C-4:C-3:O-2:	C-3:H-1:	C-3:C-3:H-1:	C(CCFF)(CCH)(OH)	O(CCC)(H)	C(CC[6a]O)(CCO)(H)	C(CCFF)(CCH)(OH)	O(CCC)(H)	C(CC[6a]O)(CCO)(H)	126.4200	0.000	1	126.4200	0.000	1	123.5717	3.466	21	123.4542	3.605	22	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	4:3:2:	3:1:	3:3:1:	C-4:C-3:O-2:	C-3:H-1:	C-3:C-3:H-1:	C(CF3)(CCH)(OH)	O(CCC)(H)	C(CC[6a]O)(CCO)(H)	C(CF3)(CCH)(OH)	O(CCC)(H)	C(CC[6a]O)(CCO)(H)	125.2445	0.283	4	125.2445	0.080	4	123.5717	3.466	21	123.4542	3.605	22	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	4:3:2:	3:1:	3:3:1:	C-4:C-3:O-2:	C-3:H-1:	C-3:C-3:H-1:	C(CH3)(CCH)(OH)	O(CCC)(H)	C(CCN)(CCO)(H)	C(CH3)(CCH)(OH)	O(CCC)(H)	C(CCN)(CCO)(H)	123.3368	0.422	6	123.3368	0.178	6	123.5717	3.466	21	123.4542	3.605	22	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	4:3:2:	3:1:	3:3:1:	C-4:C-3:O-2:	C-3:H-1:	C-3:C-3:H-1:	C(CH3)(CCH)(OH)	O(CCC)(H)	C(CCO)(CFO)(H)	C(CH3)(CCH)(OH)	O(CCC)(H)	C(CCO)(CFO)(H)	123.4650	0.000	1	123.4650	0.000	1	123.5717	3.466	21	123.4542	3.605	22	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	4:3:2:	3:1:	3:3:1:	C-4:C-3:O-2:	C-3:H-1:	C-3:C-3:H-1:	C(CH3)(CCH)(OH)	O(CCC)(H)	C(CCO)2(H)	C(CH3)(CCH)(OH)	O(CCC)(H)	C(CCO)2(H)	122.0878	0.594	6	122.0878	0.353	6	123.5717	3.466	21	123.4542	3.605	22	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	4:3:2:	3:1:	3:3:1:	C-4:C-3:O-2:	C-3:H-1:	C-3:C-3:H-1:	C(CH3)(CCH)(OH)	O(CCC)(H)	C(CC[6]O)(CCO)(H)	C(CH3)(CCH)(OH)	O(CCC)(H)	C(CC[6]O)(CCO)(H)	122.0070	0.000	1	122.0070	0.000	1	123.5717	3.466	21	123.4542	3.605	22	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	4:3:2:	3:1:	3:3:1:	C[5]-4:C-3:O-2:	C-3:H-1:	C-3:C-3:H-1:	C(C[5]C[5,5]C[5]H)(CCH)(OH)	O(CC[5]C)(H)	C(CC[5]O)2(H)	C(C[5]C[5,5]C[5]H)(CCH)(OH)	O(CC[5]C)(H)	C(CC[5]O)2(H)	120.9860	0.000	1	120.9860	0.000	1	120.9860	0.000	1	123.4542	3.605	22	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	4:3:2:	3:1:	3:3:2:	C-4:C-3:O-2:	C-3:H-1:	C-3:C-3:C-2:	C(CCFF)(CCC)(OH)	O(CCC)(H)	C(CCO)(CNO)(CN)	C(CCFF)(CCC)(OH)	O(CCC)(H)	C(CCO)(CNO)(CN)	124.8725	0.159	2	124.8725	0.025	2	122.0998	1.896	12	121.8658	1.958	14	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	4:3:2:	3:1:	3:3:2:	C-4:C-3:O-2:	C-3:H-1:	C-3:C-3:C-2:	C(CH3)(CCC)(OH)	O(CCC)(H)	C(CCO)(CNO)(CN)	C(CH3)(CCC)(OH)	O(CCC)(H)	C(CCO)(CNO)(CN)	121.5452	0.514	10	121.5452	0.264	10	122.0998	1.896	12	121.8658	1.958	14	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	4:3:2:	3:1:	3:3:2:	C-4:C-3:O-2:	C-3:H-1:	C-3:C-3:S-2:	C(CH3)(CCS)(OH)	O(CCC)(H)	C(CCO)2(SC)	C(CH3)(CCS)(OH)	O(CCC)(H)	C(CCO)2(SC)	120.4620	0.000	2	120.4620	0.000	2	120.4620	0.000	2	121.8658	1.958	14	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	4:3:2:	3:1:	3:3:3:	C-4:C-3:O-2:	C-3:H-1:	C-3:C-3:C-3:	C(CCHH)(CCC)(OH)	O(CCC)(H)	C(CCO)(CNO)(COO)	C(CCHH)(CCC)(OH)	O(CCC)(H)	C(CCO)(CNO)(COO)	121.2240	0.000	1	121.2240	0.000	1	121.0415	0.486	8	121.0415	0.486	8	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	4:3:2:	3:1:	3:3:3:	C-4:C-3:O-2:	C-3:H-1:	C-3:C-3:C-3:	C(CH3)(CCC)(OH)	O(CCC)(H)	C(CCC)(CCO)2	C(CH3)(CCC)(OH)	O(CCC)(H)	C(CCC)(CCO)2	121.3730	0.000	1	121.3730	0.000	1	121.0415	0.486	8	121.0415	0.486	8	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	4:3:2:	3:1:	3:3:3:	C-4:C-3:O-2:	C-3:H-1:	C-3:C-3:C-3:	C(CH3)(CCC)(OH)	O(CCC)(H)	C(CCO)(CNO)(COO)	C(CH3)(CCC)(OH)	O(CCC)(H)	C(CCO)(CNO)(COO)	120.2533	0.064	3	120.2533	0.004	3	121.0415	0.486	8	121.0415	0.486	8	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	4:3:2:	3:1:	3:3:3:	C-4:C-3:O-2:	C-3:H-1:	C-3:C-3:C-3:	C(CH3)(CCC)(OH)	O(CCC)(H)	C(CCO)2(CNS)	C(CH3)(CCC)(OH)	O(CCC)(H)	C(CCO)2(CNS)	121.8850	0.000	1	121.8850	0.000	1	121.0415	0.486	8	121.0415	0.486	8	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	4:3:2:	3:1:	3:3:3:	C-4:C-3:O-2:	C-3:H-1:	C-3:C-3:C-3:	C(CH3)(CCC)(OH)	O(CCC)(H)	C(CC[6a]C)(CCO)2	C(CH3)(CCC)(OH)	O(CCC)(H)	C(CC[6a]C)(CCO)2	121.5450	0.409	2	121.5450	0.167	2	121.0415	0.486	8	121.0415	0.486	8	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	4:3:2:	3:1:	4:3:2:	C-4:C-3:O-2:	C-3:H-1:	C-4:C-3:O-2:	C(CH3)(CCO)(OH)	O(CCC)(H)	C(CH3)(CCO)(OH)	C(CH3)(CCO)(OH)	O(CCC)(H)	C(CH3)(CCO)(OH)	121.9820	0.000	1	121.9820	0.000	1	121.9820	0.000	1	121.9820	0.000	1	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	4:3:2:	3:3:	3:1:1:	C-4:C-3:O-2:	B-3:C-3:	C-3:H-1:H-1:	C(CC3)(CHH)(OB)	O(BNN)(CCC)	C(CCO)(H)2	C(CC3)(CHH)(OB)	O(BNN)(CCC)	C(CCO)(H)2	122.1420	0.000	1	122.1420	0.000	1	123.8980	6.167	2	120.0730	9.575	8	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	4:3:2:	3:3:	3:1:1:	C-4:C-3:O-2:	B-3:C-3:	C-3:H-1:H-1:	C(CH3)(CHH)(OB)	O(BN[6]N)(CCC)	C(CCO)(H)2	C(CH3)(CHH)(OB)	O(BN[6]N)(CCC)	C(CCO)(H)2	125.6540	0.000	1	125.6540	0.000	1	123.8980	6.167	2	120.0730	9.575	8	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	4:3:2:	3:3:	3:1:1:	C-4:C-3:O-2:	C-3:C-3:	C-3:F-1:F-1:	C(CC[6a]HO)(CFF)(OC)	O(CCC)(CNO)	C(CCO)(F)2	C(CC[6a]HO)(CFF)(OC)	O(CCC)(CNO)	C(CCO)(F)2	117.2340	0.000	1	117.2340	0.000	1	117.2340	0.000	1	120.0730	9.575	8	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	4:3:2:	3:3:	3:1:1:	C-4:C-3:O-2:	C-3:C-3:	C-3:H-1:H-1:	C(CHHN)(CHH)(OC)	O(CCC)(CCO)	C(CCO)(H)2	C(CHHN)(CHH)(OC)	O(CCC)(CCO)	C(CCO)(H)2	116.0090	0.000	1	116.0090	0.000	1	116.8195	1.314	2	120.0730	9.575	8	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	4:3:2:	3:3:	3:1:1:	C-4:C-3:O-2:	C-3:C-3:	C-3:H-1:H-1:	C(CHHN)(CHH)(OC)	O(CC[6a]C)(CCC)	C(CCO)(H)2	C(CHHN)(CHH)(OC)	O(CC[6a]C)(CCC)	C(CCO)(H)2	117.6300	0.000	1	117.6300	0.000	1	116.8195	1.314	2	120.0730	9.575	8	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	4:3:2:	3:3:	3:1:1:	C[6]-4:C-3:O-2:	C-3:C-3:	C-3:H-1:H-1:	C(C[6]C[5a,6]C[6a]C[6])(CHH)(OC)	O(CC[6]C)(CCO)	C(CC[6]O)(H)2	C(C[6]C[5a,6]C[6a]C[6])(CHH)(OC)	O(CC[6]C)(CCO)	C(CC[6]O)(H)2	120.6383	0.218	3	120.6383	0.048	3	120.6383	0.048	3	120.0730	9.575	8	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	4:3:2:	3:3:	3:2:1:	C-4:C-3:O-2:	C-3:C-3:	C-3:N-2:H-1:	C(CH3)(CHN)(OC)	O(CC[6a]C)(CCC)	C(CCO)(NC)(H)	C(CH3)(CHN)(OC)	O(CC[6a]C)(CCC)	C(CCO)(NC)(H)	119.2540	0.000	1	119.2540	0.000	1	119.2540	0.000	1	119.2540	0.000	1	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	4:3:2:	3:3:	3:3:1:	C-4:C-3:O-2:	C-3:C-3:	C-3:C-3:H-1:	C(CCHH)(CCH)(OC)	O(CCC)2	C(CCH)(CCO)(H)	C(CCHH)(CCH)(OC)	O(CCC)2	C(CCH)(CCO)(H)	125.1280	0.000	1	125.1280	0.000	1	125.1280	0.000	1	119.1932	27.712	6	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	4:3:2:	3:3:	3:3:1:	C-4:C-3:O-2:	C-3:C-3:	C[6a]-3:C-3:O-1:	C(CN[5a]HH)(CC[6a]O)(OC)	O(CC[6a]O)(CCC)	C(C[6a]C[6a]2)(CCO)(O)	C(CN[5a]HH)(CC[6a]O)(OC)	O(CC[6a]O)(CCC)	C(C[6a]C[6a]2)(CCO)(O)	109.3410	0.000	1	109.3410	0.000	1	109.3410	0.000	1	119.1932	27.712	6	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	4:3:2:	3:3:	3:3:1:	C[3]-4:C-3:O-2:	C-3:C-3:	C[6a]-3:C-3:H-1:	C(C[3]C[3,5]2H)(CC[6a]H)(OC)	O(CC[3]C)(CCO)	C(C[6a]C[6a]2)(CC[3]O)(H)	C(C[3]C[3,5]2H)(CC[6a]H)(OC)	O(CC[3]C)(CCO)	C(C[6a]C[6a]2)(CC[3]O)(H)	120.4790	0.000	1	120.4790	0.000	1	120.8900	0.338	2	119.1932	27.712	6	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	4:3:2:	3:3:	3:3:1:	C[3]-4:C-3:O-2:	C-3:C-3:	C[6a]-3:C-3:H-1:	C(C[3]C[3]2H)(CC[6a]H)(OC)	O(CC[3]C)(CCO)	C(C[6a]C[6a]2)(CC[3]O)(H)	C(C[3]C[3]2H)(CC[6a]H)(OC)	O(CC[3]C)(CCO)	C(C[6a]C[6a]2)(CC[3]O)(H)	121.3010	0.000	1	121.3010	0.000	1	120.8900	0.338	2	119.1932	27.712	6	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	4:3:2:	3:3:	3:3:1:	C[5]-4:C-3:O-2:	C-3:C-3:	C-3:C-3:H-1:	C(C[5]C[5]2H)(CCH)(OC)	O(CC[5]C)(CCO)	C(CC[5]O)(CCH)(H)	C(C[5]C[5]2H)(CCH)(OC)	O(CC[5]C)(CCO)	C(CC[5]O)(CCH)(H)	119.3190	0.000	1	119.3190	0.000	1	119.3190	0.000	1	119.1932	27.712	6	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	4:3:2:	3:3:	3:3:1:	C[6]-4:C-3:O-2:	C-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6]N[6]O[6]H)(CC[6a]H)(OC)	O(CC[6a]O)(CC[6]C)	C(C[6a]C[6a]2)(CC[6]O)(H)	C(C[6]N[6]O[6]H)(CC[6a]H)(OC)	O(CC[6a]O)(CC[6]C)	C(C[6a]C[6a]2)(CC[6]O)(H)	119.5910	0.000	1	119.5910	0.000	1	119.5910	0.000	1	119.1932	27.712	6	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	4:3:2:	3:3:	3:3:2:	C-4:C-3:O-2:	C-3:C-3:	C-3:C-3:C-2:	C(CCHH)(CCC)(OC)	O(CCC)2	C(CCC)(CCO)(CN)	C(CCHH)(CCC)(OC)	O(CCC)2	C(CCC)(CCO)(CN)	127.5330	0.000	1	127.5330	0.000	1	127.5330	0.000	1	123.6690	29.861	2	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	4:3:2:	3:3:	3:3:2:	C[3]-4:C-3:O-2:	C-3:C-3:	C-3:C-3:S-2:	C(C[3]C[3]2H)(CCS)(OC)	O(CC[3]C)(CCO)	C(CC[3]O)(CNO)(SC)	C(C[3]C[3]2H)(CCS)(OC)	O(CC[3]C)(CCO)	C(CC[3]O)(CNO)(SC)	119.8050	0.000	1	119.8050	0.000	1	119.8050	0.000	1	123.6690	29.861	2	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	4:3:2:	3:3:	3:3:3:	C-4:C-3:O-2:	C-3:C-3:	C[6a]-3:C-3:C-3:	C(CC[6a]HH)(CC[6a]C)(OC)	O(CCC)(CCO)	C(C[6a]C[6a]2)(CN[6]O)(CCO)	C(CC[6a]HH)(CC[6a]C)(OC)	O(CCC)(CCO)	C(C[6a]C[6a]2)(CN[6]O)(CCO)	114.6920	0.000	1	114.6920	0.000	1	114.6920	0.000	1	114.6920	0.000	1	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	4:3:2:	3:3:	3:4:1:	C[3]-4:C-3:O-2:	C-3:C-3:	C-3:C-4:H-1:	C(C[3]C[3]2H)(CCH)(OC)	O(CC[3]C)(CCO)	C(CC[3]O)(CCCH)(H)	C(C[3]C[3]2H)(CCH)(OC)	O(CC[3]C)(CCO)	C(CC[3]O)(CCCH)(H)	120.9220	0.000	1	120.9220	0.000	1	120.9220	0.000	1	120.9220	0.000	1	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	4:3:2:	3:3:	3:4:4:	C[3]-4:C-3:O-2:	C-3:C-3:	C-3:C-4:C-4:	C(C[3]C[3,5,6]2H)(CCC)(OC)	O(CC[3]C)(CCO)	C(CC[3]O)(CH3)2	C(C[3]C[3,5,6]2H)(CCC)(OC)	O(CC[3]C)(CCO)	C(CC[3]O)(CH3)2	118.9250	0.000	1	118.9250	0.000	1	118.9250	0.000	1	118.9250	0.000	1	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	4:3:2:	3:3:	4:3:1:	C-4:C-3:O-2:	C-3:C-3:	C-4:C-3:H-1:	C(CCFF)(CCH)(OC)	O(CCC)(CNO)	C(CCHH)(CCO)(H)	C(CCFF)(CCH)(OC)	O(CCC)(CNO)	C(CCHH)(CCO)(H)	122.9630	0.000	1	122.9630	0.000	1	118.4670	15.753	3	115.8617	14.726	6	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	4:3:2:	3:3:	4:3:1:	C-4:C-3:O-2:	C-3:C-3:	C-4:C-3:H-1:	C(CCHH)(CCH)(OC)	O(CCC)(CCO)	C(CCHH)(CCO)(H)	C(CCHH)(CCH)(OC)	O(CCC)(CCO)	C(CCHH)(CCO)(H)	116.9890	0.000	1	116.9890	0.000	1	118.4670	15.753	3	115.8617	14.726	6	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	4:3:2:	3:3:	4:3:1:	C-4:C-3:O-2:	C-3:C-3:	C-4:C-3:H-1:	C(CCHH)(CCH)(OC)	O(CC[6a]O)(CCC)	C(CCHH)(CCO)(H)	C(CCHH)(CCH)(OC)	O(CC[6a]O)(CCC)	C(CCHH)(CCO)(H)	115.4490	0.000	1	115.4490	0.000	1	118.4670	15.753	3	115.8617	14.726	6	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	4:3:2:	3:3:	4:3:1:	Si-4:C-3:O-2:	C-3:C-3:	C-4:C-3:H-1:	C(SiC3)(CCH)(OC)	O(CSiC)(CNO)	C(CC[6a]CH)(CSiO)(H)	C(SiC3)(CCH)(OC)	O(CSiC)(CNO)	C(CC[6a]CH)(CSiO)(H)	113.4740	0.000	1	113.4740	0.000	1	113.2563	0.697	3	115.8617	14.726	6	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	4:3:2:	3:3:	4:3:1:	Si-4:C-3:O-2:	C-3:C-3:	C-4:C-3:H-1:	C(SiC3)(CCH)(OC)	O(CSiC)(CNO)	C(CC[6a]SiH)(CSiO)(H)	C(SiC3)(CCH)(OC)	O(CSiC)(CNO)	C(CC[6a]SiH)(CSiO)(H)	113.9610	0.000	1	113.9610	0.000	1	113.2563	0.697	3	115.8617	14.726	6	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	4:3:2:	3:3:	4:3:1:	Si-4:C-3:O-2:	C-3:C-3:	C-4:C-3:H-1:	C(SiC3)(CCH)(OC)	O(CSiC)(CNO)	C(CC[6a]SnH)(CSiO)(H)	C(SiC3)(CCH)(OC)	O(CSiC)(CNO)	C(CC[6a]SnH)(CSiO)(H)	112.3340	0.000	1	112.3340	0.000	1	113.2563	0.697	3	115.8617	14.726	6	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	4:3:2:	3:3:	4:3:3:	C-4:C-3:O-2:	C-3:C-3:	C-4:C-3:C-3:	C(CH3)(CCC)(OC)	O(CC[6a]C[5])(CCC)	C(CC[5]HH)(CCO)(COO)	C(CH3)(CCC)(OC)	O(CC[6a]C[5])(CCC)	C(CC[5]HH)(CCO)(COO)	121.6950	1.489	2	121.6950	2.218	2	121.6950	2.218	2	121.6950	2.218	2	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	4:3:2:	3:4:	3:1:1:	C[3]-4:C-3:O-2:	C-3:Si-4:	C-3:H-1:H-1:	C(C[3]C[3,5]C[3]C)(CHH)(OSi)	O(CC[3]C)(SiC3)	C(CC[3]O)(H)2	C(C[3]C[3,5]C[3]C)(CHH)(OSi)	O(CC[3]C)(SiC3)	C(CC[3]O)(H)2	126.1190	0.000	1	126.1190	0.000	1	126.1190	0.000	1	126.7063	0.259	3	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	4:3:2:	3:4:	3:1:1:	C[4]-4:C-3:O-2:	C-3:C-4:	C-3:H-1:H-1:	C(C[4]C[4,6]C[4]O)(CHH)(OC)	O(CC[4]C)(CH3)	C(CC[4]O)(H)2	C(C[4]C[4,6]C[4]O)(CHH)(OC)	O(CC[4]C)(CH3)	C(CC[4]O)(H)2	127.0210	0.000	1	127.0210	0.000	1	127.0210	0.000	1	126.7063	0.259	3	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	4:3:2:	3:4:	3:1:1:	C[5,6]-4:C-3:O-2:	C-3:C-4:	C-3:H-1:H-1:	C(C[5,6]C[5,6]C[6]O[5])(CHH)(OC)	O(CC[5,6]C)(CCHH)	C(CC[5,6]O)(H)2	C(C[5,6]C[5,6]C[6]O[5])(CHH)(OC)	O(CC[5,6]C)(CCHH)	C(CC[5,6]O)(H)2	126.9790	0.000	1	126.9790	0.000	1	126.9790	0.000	1	126.7063	0.259	3	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	4:3:2:	3:4:	3:3:3:	C[3x6]-4:C-3:O-2:	C-3:Si-4:	C[6a]-3:C-3:C-3:	C(C[3x6]C[6,6]3)(CC[6a]C)(OSi)	O(CC[3x6]C)(SiC3)	C(C[6a]C[6a]2)(CC[3x6]O)(CCH)	C(C[3x6]C[6,6]3)(CC[6a]C)(OSi)	O(CC[3x6]C)(SiC3)	C(C[6a]C[6a]2)(CC[3x6]O)(CCH)	117.9270	0.000	1	117.9270	0.000	1	117.9270	0.000	1	117.9270	0.000	1	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	4:3:2:	3:4:	3:4:1:	C[3]-4:C-3:O-2:	C-3:Si-4:	C-3:C-4:H-1:	C(C[3]C[3,6]2C)(CCH)(OSi)	O(CC[3]C)(SiC3)	C(CC[3]O)(CH3)(H)	C(C[3]C[3,6]2C)(CCH)(OSi)	O(CC[3]C)(SiC3)	C(CC[3]O)(CH3)(H)	120.2280	0.260	2	120.2280	0.068	2	120.2280	0.068	2	120.2280	0.068	2	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	4:3:2:	3:4:	4:3:1:	C[5]-4:C-3:O-2:	C-3:Si-4:	C-4:C-3:H-1:	C(C[5]C[5]2H)(CCH)(OSi)	O(CC[5]C)(SiC3)	C(CC[6a]CH)(CC[5]O)(H)	C(C[5]C[5]2H)(CCH)(OSi)	O(CC[5]C)(SiC3)	C(CC[6a]CH)(CC[5]O)(H)	120.9505	0.264	2	120.9505	0.070	2	120.9610	0.035	3	120.9610	0.035	3	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	4:3:2:	3:4:	4:3:1:	C[5]-4:C-3:O-2:	C-3:Si-4:	C-4:C-3:H-1:	C(C[5]C[5]2H)(CCH)(OSi)	O(CC[5]C)(SiC3)	C(CC[6a]C[6]H)(CC[5]O)(H)	C(C[5]C[5]2H)(CCH)(OSi)	O(CC[5]C)(SiC3)	C(CC[6a]C[6]H)(CC[5]O)(H)	120.9820	0.000	1	120.9820	0.000	1	120.9610	0.035	3	120.9610	0.035	3	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	4:3:2:	3:4:	4:3:3:	C[3]-4:C-3:O-2:	C-3:C-4:	C[6]-4:C-3:C-3:	C(C[3]C[3]2H)(CC[6]C)(OC)	O(CC[3]C)(CH3)	C(C[6]C[6]2Cr)(CC[3]O)(CSiC)	C(C[3]C[3]2H)(CC[6]C)(OC)	O(CC[3]C)(CH3)	C(C[6]C[6]2Cr)(CC[3]O)(CSiC)	121.6930	0.037	2	121.6930	0.001	2	121.6930	0.001	2	121.6930	0.001	2	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	4:3:2:	4:3:	2:3:1:	C-4:C-3:O-2:	S-4:C-3:	I-2:C-3:H-1:	C(CBrHH)(CHI)(OS)	O(SCOO)(CCC)	C(IC[6a])(CCO)(H)	C(CBrHH)(CHI)(OS)	O(SCOO)(CCC)	C(IC[6a])(CCO)(H)	117.7460	0.000	1	117.7460	0.000	1	116.4907	1.184	3	116.4907	1.184	3	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	4:3:2:	4:3:	2:3:1:	C-4:C-3:O-2:	S-4:C-3:	I-2:C-3:H-1:	C(CCHH)(CHI)(OS)	O(SCOO)(CCC)	C(IC[6a])(CCO)(H)	C(CCHH)(CHI)(OS)	O(SCOO)(CCC)	C(IC[6a])(CCO)(H)	115.8630	0.062	2	115.8630	0.004	2	116.4907	1.184	3	116.4907	1.184	3	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	4:3:2:	4:3:	2:4:3:	C-4:C-3:O-2:	C-4:C-3:	I-2:C-4:C-3:	C(CH3)(CCI)(OC)	O(CH3)(CCC)	C(IC[6a])(CCCH)(CCO)	C(CH3)(CCI)(OC)	O(CH3)(CCC)	C(IC[6a])(CCCH)(CCO)	115.2620	0.000	1	115.2620	0.000	1	115.2620	0.000	1	115.2620	0.000	1	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	4:3:2:	4:3:	3:1:1:	C-4:C-3:O-2:	C-4:C-3:	C-3:H-1:H-1:	C(CCHO)(CHH)(OC)	O(CCHH)(CCC)	C(CCO)(H)2	C(CCHO)(CHH)(OC)	O(CCHH)(CCC)	C(CCO)(H)2	126.7148	0.346	18	126.7148	0.119	18	126.7057	0.173	23	126.3730	1.050	26	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	4:3:2:	4:3:	3:1:1:	C-4:C-3:O-2:	C-4:C-3:	C-3:H-1:H-1:	C(CC[6a]HO)(CHH)(OC)	O(CC[6a]HH)(CCC)	C(CCO)(H)2	C(CC[6a]HO)(CHH)(OC)	O(CC[6a]HH)(CCC)	C(CCO)(H)2	126.9507	0.274	4	126.9507	0.075	4	126.7057	0.173	23	126.3730	1.050	26	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	4:3:2:	4:3:	3:1:1:	C-4:C-3:O-2:	C-4:C-3:	C-3:H-1:H-1:	C(CHHP)(CHH)(OC)	O(CH3)(CCC)	C(CCO)(H)2	C(CHHP)(CHH)(OC)	O(CH3)(CCC)	C(CCO)(H)2	125.5610	0.000	1	125.5610	0.000	1	126.7057	0.173	23	126.3730	1.050	26	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	4:3:2:	4:3:	3:1:1:	C-4:C-3:O-2:	S-4:C-3:	C-3:H-1:H-1:	C(CCFF)(CHH)(OS)	O(SC[6a]OO)(CCC)	C(CCO)(H)2	C(CCFF)(CHH)(OS)	O(SC[6a]OO)(CCC)	C(CCO)(H)2	123.3450	0.000	1	123.3450	0.000	1	123.3450	0.000	1	126.3730	1.050	26	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	4:3:2:	4:3:	3:1:1:	C-4:C-3:O-2:	Si-4:C-3:	C-3:H-1:H-1:	C(CC3)(CHH)(OSi)	O(SiC3)(CCC)	C(CCO)(H)2	C(CC3)(CHH)(OSi)	O(SiC3)(CCC)	C(CCO)(H)2	124.0605	0.153	2	124.0605	0.024	2	124.0605	0.024	2	126.3730	1.050	26	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	4:3:2:	4:3:	3:3:1:	C-4:C-3:O-2:	B-4:C-3:	C-3:C-3:H-1:	C(CH3)(CCH)(OB)	O(BF3)(CCC)	C(CC[6a]H)(CCO)(H)	C(CH3)(CCH)(OB)	O(BF3)(CCC)	C(CC[6a]H)(CCO)(H)	122.0310	0.000	1	122.0310	0.000	1	122.0310	0.000	1	123.8667	18.262	21	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	4:3:2:	4:3:	3:3:1:	C-4:C-3:O-2:	C-4:C-3:	C-3:C-3:H-1:	C(CCFF)(CCH)(OC)	O(CCHH)(CCC)	C(CC[6a]N)(CCO)(H)	C(CCFF)(CCH)(OC)	O(CCHH)(CCC)	C(CC[6a]N)(CCO)(H)	130.8920	0.000	1	130.8920	0.000	1	124.7809	17.438	17	123.8667	18.262	21	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	4:3:2:	4:3:	3:3:1:	C-4:C-3:O-2:	C-4:C-3:	C-3:C-3:H-1:	C(CCHH)(CCH)(OC)	O(CH3)(CCC)	C(CCO)(COO)(H)	C(CCHH)(CCH)(OC)	O(CH3)(CCC)	C(CCO)(COO)(H)	123.1720	0.000	1	123.1720	0.000	1	124.7809	17.438	17	123.8667	18.262	21	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	4:3:2:	4:3:	3:3:1:	C-4:C-3:O-2:	C-4:C-3:	C-3:C-3:H-1:	C(CC[6a]HH)(CCH)(OC)	O(CCCH)(CCC)	C(CCH)(CCO)(H)	C(CC[6a]HH)(CCH)(OC)	O(CCCH)(CCC)	C(CCH)(CCO)(H)	122.6290	0.000	1	122.6290	0.000	1	124.7809	17.438	17	123.8667	18.262	21	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	4:3:2:	4:3:	3:3:1:	C-4:C-3:O-2:	C-4:C-3:	C-3:C-3:H-1:	C(CC[6a]HN)(CCH)(OC)	O(CCHH)(CCC)	C(CCH)(CCO)(H)	C(CC[6a]HN)(CCH)(OC)	O(CCHH)(CCC)	C(CCH)(CCO)(H)	125.5000	0.011	2	125.5000	0.000	2	124.7809	17.438	17	123.8667	18.262	21	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	4:3:2:	4:3:	3:3:1:	C-4:C-3:O-2:	C-4:C-3:	C-3:C-3:H-1:	C(CH3)(CCH)(OC)	O(CCHH)(CCC)	C(CCN)(CCO)(H)	C(CH3)(CCH)(OC)	O(CCHH)(CCC)	C(CCN)(CCO)(H)	118.3960	0.000	1	118.3960	0.000	1	124.7809	17.438	17	123.8667	18.262	21	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	4:3:2:	4:3:	3:3:1:	C-4:C-3:O-2:	C-4:C-3:	C-3:C-3:H-1:	C(CH3)(CCH)(OC)	O(CCHH)(CCC)	C(CCO)2(H)	C(CH3)(CCH)(OC)	O(CCHH)(CCC)	C(CCO)2(H)	128.6645	0.370	2	128.6645	0.137	2	124.7809	17.438	17	123.8667	18.262	21	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	4:3:2:	4:3:	3:3:1:	C-4:C-3:O-2:	C-4:C-3:	C-3:C-3:H-1:	C(CH3)(CCH)(OC)	O(CH3)(CCC)	C(CCC)(CCO)(H)	C(CH3)(CCH)(OC)	O(CH3)(CCC)	C(CCC)(CCO)(H)	117.6800	0.000	1	117.6800	0.000	1	124.7809	17.438	17	123.8667	18.262	21	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	4:3:2:	4:3:	3:3:1:	C-4:C-3:O-2:	C-4:C-3:	C-3:C-3:H-1:	C(CH3)(CCH)(OC)	O(CH3)(CCC)	C(CCO)(CNO)(H)	C(CH3)(CCH)(OC)	O(CH3)(CCC)	C(CCO)(CNO)(H)	122.5840	0.000	1	122.5840	0.000	1	124.7809	17.438	17	123.8667	18.262	21	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	4:3:2:	4:3:	3:3:1:	C-4:C-3:O-2:	C-4:C-3:	C-3:C-3:H-1:	C(CH3)(CCH)(OC)	O(CH3)(CCC)	C(CC[5]O)(CCO)(H)	C(CH3)(CCH)(OC)	O(CH3)(CCC)	C(CC[5]O)(CCO)(H)	120.0910	0.000	1	120.0910	0.000	1	124.7809	17.438	17	123.8667	18.262	21	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	4:3:2:	4:3:	3:3:1:	C-4:C-3:O-2:	C-4:C-3:	C-3:C-3:H-1:	C(CH3)(CCH)(OC)	O(CH3)(CCC)	C(CN[5]O)(CCO)(H)	C(CH3)(CCH)(OC)	O(CH3)(CCC)	C(CN[5]O)(CCO)(H)	122.3960	0.006	2	122.3960	0.000	2	124.7809	17.438	17	123.8667	18.262	21	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	4:3:2:	4:3:	3:3:1:	C-4:C-3:O-2:	C-4:C-3:	C-3:C-3:H-1:	C(CHHN)(CCH)(OC)	O(CCCH)(CCC)	C(CCO)(CNO)(H)	C(CHHN)(CCH)(OC)	O(CCCH)(CCC)	C(CCO)(CNO)(H)	129.4810	0.371	2	129.4810	0.137	2	124.7809	17.438	17	123.8667	18.262	21	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	4:3:2:	4:3:	3:3:1:	C-4:C-3:O-2:	C-4:C-3:	C-3:C-3:H-1:	C(CHHO)(CCH)(OC)	O(CCHH)(CCC)	C(CCO)(CNO)(H)	C(CHHO)(CCH)(OC)	O(CCHH)(CCC)	C(CCO)(CNO)(H)	130.0860	0.000	1	130.0860	0.000	1	124.7809	17.438	17	123.8667	18.262	21	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	4:3:2:	4:3:	3:3:1:	C-4:C-3:O-2:	C-4:C-3:	C-3:C-3:H-1:	C(CReCC)(CCH)(OC)	O(CH3)(CCC)	C(CCO)(COO)(H)	C(CReCC)(CCH)(OC)	O(CH3)(CCC)	C(CCO)(COO)(H)	123.6620	0.000	1	123.6620	0.000	1	124.7809	17.438	17	123.8667	18.262	21	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	4:3:2:	4:3:	3:3:1:	C-4:C-3:O-2:	Ga-4:C-3:	C-3:C-3:H-1:	C(CH3)(CCH)(OGa)	O(GaClCC)(CCC)	C(CCN)(CCO)(H)	C(CH3)(CCH)(OGa)	O(GaClCC)(CCC)	C(CCN)(CCO)(H)	121.2600	0.000	1	121.2600	0.000	1	121.2600	0.000	1	123.8667	18.262	21	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	4:3:2:	4:3:	3:3:1:	C-4:C-3:O-2:	Ge-4:C-3:	C-3:C-3:H-1:	C(CIrHH)(CCH)(OGe)	O(GeClIrN)(CCC)	C(CCN)(CCO)(H)	C(CIrHH)(CCH)(OGe)	O(GeClIrN)(CCC)	C(CCN)(CCO)(H)	117.9500	0.000	1	117.9500	0.000	1	117.9500	0.000	1	123.8667	18.262	21	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	4:3:2:	4:3:	3:3:1:	C-4:C-3:O-2:	S-4:C-3:	C-3:C-3:H-1:	C(CH3)(CCH)(OS)	O(SCOO)(CCC)	C(CC[6a]O)(CCO)(H)	C(CH3)(CCH)(OS)	O(SCOO)(CCC)	C(CC[6a]O)(CCO)(H)	118.6840	0.000	1	118.6840	0.000	1	118.6840	0.000	1	123.8667	18.262	21	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	4:3:2:	4:3:	3:3:2:	C-4:C-3:O-2:	C-4:C-3:	C-3:C-3:N-2:	C(CC[6a]HH)(CCN)(OC)	O(CCHH)(CCC)	C(CC[6a]O)(CCO)(NN)	C(CC[6a]HH)(CCN)(OC)	O(CCHH)(CCC)	C(CC[6a]O)(CCO)(NN)	116.9660	0.000	1	116.9660	0.000	1	116.9660	0.000	1	115.9145	2.211	2	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	4:3:2:	4:3:	3:3:2:	C-4:C-3:O-2:	C-4:C-3:	C-3:C-3:O-2:	C(CH3)(CCO)(OC)	O(CCHH)(CCC)	C(CCO)(CNO)(OC)	C(CH3)(CCO)(OC)	O(CCHH)(CCC)	C(CCO)(CNO)(OC)	114.8630	0.000	1	114.8630	0.000	1	114.8630	0.000	1	115.9145	2.211	2	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	4:3:2:	4:3:	3:4:3:	O-4:C-3:O-2:	C-4:C-3:	N-3:C-4:C-3:	C(OLi3)(CCN)(OC)	O(CH3)(CCO)	C(NLiC)(CH3)(COO)	C(OLi3)(CCN)(OC)	O(CH3)(CCO)	C(NLiC)(CH3)(COO)	116.4215	0.322	2	116.4215	0.104	2	116.4215	0.104	2	116.4215	0.104	2	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	4:3:2:	4:3:	4:3:1:	C-4:C-3:O-2:	C-4:C-3:	C-4:C-3:H-1:	C(CCFF)(CCH)(OC)	O(CCHH)(CCC)	C(CCFF)(CCO)(H)	C(CCFF)(CCH)(OC)	O(CCHH)(CCC)	C(CCFF)(CCO)(H)	124.6885	0.290	4	124.6885	0.084	4	124.6885	0.084	4	121.9527	9.354	8	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	4:3:2:	4:3:	4:3:1:	C-4:C-3:O-2:	C-4:C-3:	P-4:C-3:H-1:	C(CH3)(CHP)(OC)	O(CC[6a]2H)(CCC)	C(PC[6a]3)(CCO)(H)	C(CH3)(CHP)(OC)	O(CC[6a]2H)(CCC)	C(PC[6a]3)(CCO)(H)	117.5950	0.000	1	117.5950	0.000	1	117.5950	0.000	1	121.9527	9.354	8	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	4:3:2:	4:3:	4:3:1:	C-4:C-3:O-2:	Si-4:C-3:	C-4:C-3:H-1:	C(CCHO)(CCH)(OSi)	O(SiC3)(CCC)	C(CSiCH)(CCO)(H)	C(CCHO)(CCH)(OSi)	O(SiC3)(CCC)	C(CSiCH)(CCO)(H)	120.8260	0.000	1	120.8260	0.000	1	119.7577	0.922	3	121.9527	9.354	8	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	4:3:2:	4:3:	4:3:1:	C-4:C-3:O-2:	Si-4:C-3:	C-4:C-3:H-1:	C(CC[5]CH)(CCH)(OSi)	O(SiC3)(CCC)	C(CC[5]HH)(CCO)(H)	C(CC[5]CH)(CCH)(OSi)	O(SiC3)(CCC)	C(CC[5]HH)(CCO)(H)	119.4810	0.000	1	119.4810	0.000	1	119.7577	0.922	3	121.9527	9.354	8	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	4:3:2:	4:3:	4:3:1:	C-4:C-3:O-2:	Si-4:C-3:	C-4:C-3:H-1:	C(CC[5]HH)(CCH)(OSi)	O(SiC3)(CCC)	C(CC[5]CH)(CCO)(H)	C(CC[5]HH)(CCH)(OSi)	O(SiC3)(CCC)	C(CC[5]CH)(CCO)(H)	118.9660	0.000	1	118.9660	0.000	1	119.7577	0.922	3	121.9527	9.354	8	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	4:3:2:	4:3:	4:3:3:	C-4:C-3:O-2:	Si-4:C-3:	C-4:C-3:C-3:	C(CCHH)(CCC)(OSi)	O(SiC3)(CCC)	C(CHHO)(CCH)(CCO)	C(CCHH)(CCC)(OSi)	O(SiC3)(CCC)	C(CHHO)(CCH)(CCO)	119.6370	0.000	1	119.6370	0.000	1	119.6370	0.000	1	119.6370	0.000	1	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	4:3:2:	6:3:	3:3:1:	C-4:C-3:O-2:	Si-6:C-3:	C-3:C-3:H-1:	C(CH3)(CCH)(OSi)	O(SiN4O)(CCC)	C(CCN)(CCO)(H)	C(CH3)(CCH)(OSi)	O(SiN4O)(CCC)	C(CCN)(CCO)(H)	118.9240	0.000	1	118.9240	0.000	1	118.9240	0.000	1	118.9240	0.000	1	114.4531	19.674	4893	114.4531	19.674	4893
930	893	930	0:SP2_SP2_SP2	C	O	C	6:3:2:	3:4:	3:3:1:	C[5x3,5x5,20x6]-6:C-3:O-2:	C-3:C-4:	C-3:C-3:H-1:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CCH)(OC)	O(CC[5x3,5x5,20x6]C)(CH3)	C(CC[5x3,5x5,20x6]O)(CCH)(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CCH)(OC)	O(CC[5x3,5x5,20x6]C)(CH3)	C(CC[5x3,5x5,20x6]O)(CCH)(H)	123.8480	0.000	1	123.8480	0.000	1	123.8480	0.000	1	123.8480	0.000	1	114.4531	19.674	4893	114.4531	19.674	4893