490	880	955	0:SP3_SP3_SP3	C	Si	P[5,5]	4:4:1:1:	4:4:4:4:	3:3:3:4:	P[5,5]-4:Si-4:H-1:H-1:	C-4:C-4:C-4:C-4:	P[5,5]-3:P[5]-3:P[5]-3:C-4:	C(P[5,5]P[5,5]P[5]2)(SiC3)(H)2	Si(CP[5,5]HH)(CH3)3	P[5,5](P[5,5]P[5]2)(P[5]P[5]Co)2(CSiHH)	C(P[5,5]P[5,5]P[5]2)(SiC3)(H)2	Si(CP[5,5]HH)(CH3)3	P[5,5](P[5,5]P[5]2)(P[5]P[5]Co)2(CSiHH)	119.2240	0.000	1	119.2240	0.000	1	119.2240	0.000	1	119.2240	0.000	1	119.2240	0.000	1	119.2240	0.000	1
490	880	956	0:SP3_SP2_SP3	C	Si	N	3:4:3:1:	3:4:4:4:	4:4:1:	C[6a]-3:Si-4:N-3:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:P-4:H-1:	C(C[6a]C[6a]2)(SiC[6a]CC)(NHP)(H)	Si(C[6a]C[6a]2)(CC[6a]HN)(CH3)2	N(CC[6a]SiH)(PC[6a]2O)(H)	C(C[6a]C[6a]2)(SiC[6a]CC)(NHP)(H)	Si(C[6a]C[6a]2)(CC[6a]HN)(CH3)2	N(CC[6a]SiH)(PC[6a]2O)(H)	111.6120	0.000	1	111.6120	0.000	1	111.6120	0.000	1	111.6120	0.000	1	113.6289	1.583	12	113.6289	1.583	12
490	880	956	0:SP3_SP2_SP3	C	Si	N	4:3:1:1:	4:4:4:1:	3:4:4:	Si-4:N-3:H-1:H-1:	C-4:C-4:C-4:F-1:	C-3:C-4:C-4:	C(SiCCF)(NCC)(H)2	Si(CHHN)(CH3)2(F)	N(CC[5]O)(CSiHH)(CH3)	C(SiCCF)(NCC)(H)2	Si(CHHN)(CH3)2(F)	N(CC[5]O)(CSiHH)(CH3)	113.7846	0.429	5	113.7846	0.184	5	113.5781	0.671	7	113.5781	0.671	7	113.6289	1.583	12	113.6289	1.583	12
490	880	956	0:SP3_SP2_SP3	C	Si	N	4:3:1:1:	4:4:4:1:	3:4:4:	Si-4:N-3:H-1:H-1:	C-4:C-4:C-4:F-1:	C-3:C-4:C-4:	C(SiCCF)(NCC)(H)2	Si(CHHN)(CH3)2(F)	N(CC[5]O)(CSiHH)2	C(SiCCF)(NCC)(H)2	Si(CHHN)(CH3)2(F)	N(CC[5]O)(CSiHH)2	113.0620	1.595	2	113.0620	2.545	2	113.5781	0.671	7	113.5781	0.671	7	113.6289	1.583	12	113.6289	1.583	12
490	880	956	0:SP3_SP2_SP3	C	Si	N	4:3:1:1:	4:4:4:4:	4:3:1:	Si-4:N-3:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:C-3:H-1:	C(SiC3)(NCH)(H)2	Si(CHHN)(CH3)3	N(CSiHH)(CNS)(H)	C(SiC3)(NCH)(H)2	Si(CHHN)(CH3)3	N(CSiHH)(CNS)(H)	116.3920	0.000	1	116.3920	0.000	1	116.3920	0.000	1	116.3920	0.000	1	113.6289	1.583	12	113.6289	1.583	12
490	880	956	0:SP3_SP2_SP3	C	Si	N	4:3:2:1:	4:4:4:4:	4:4:1:	Si-4:N-3:C-2:H-1:	C-4:C-4:C-4:C-4:	S-4:C-4:H-1:	C(SiC3)(NHS)(CC)(H)	Si(CCHN)(CC3)(CH3)2	N(SC[6a]OO)(CSiCH)(H)	C(SiC3)(NHS)(CC)(H)	Si(CCHN)(CC3)(CH3)2	N(SC[6a]OO)(CSiCH)(H)	112.7540	0.000	1	112.7540	0.000	1	112.7540	0.000	1	112.7540	0.000	1	113.6289	1.583	12	113.6289	1.583	12
490	880	956	0:SP3_SP2_SP3	C	Si	N	4:4:3:1:	4:4:4:2:	4:3:1:	Si-4:C-4:N-3:H-1:	C-4:C-4:C-4:O-2:	C-4:C-3:H-1:	C(SiCCO)(CCHH)(NCH)(H)	Si(CCHN)(CH3)2(OSi)	N(CSiCH)(CNO)(H)	C(SiCCO)(CCHH)(NCH)(H)	Si(CCHN)(CH3)2(OSi)	N(CSiCH)(CNO)(H)	113.8710	0.885	2	113.8710	0.784	2	113.8710	0.784	2	113.8710	0.784	2	113.6289	1.583	12	113.6289	1.583	12
490	880	956	0:SP3_SP3_SP3	C	Si	N	3:4:3:1:	3:4:4:4:	4:3:1:	C[6a]-3:Si-4:N-3:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:S-3:H-1:	C(C[6a]C[6a]2)(SiC[6a]CC)(NHS)(H)	Si(C[6a]C[6a]2)(CC[6a]HN)(CH3)2	N(CC[6a]SiH)(SCO)(H)	C(C[6a]C[6a]2)(SiC[6a]CC)(NHS)(H)	Si(C[6a]C[6a]2)(CC[6a]HN)(CH3)2	N(CC[6a]SiH)(SCO)(H)	107.2370	0.000	1	107.2370	0.000	1	109.1910	7.636	2	109.1910	7.636	2	110.9453	15.080	13	110.9453	15.080	13
490	880	956	0:SP3_SP3_SP3	C	Si	N	3:4:3:1:	3:4:4:4:	4:3:1:	C[6a]-3:Si-4:N-3:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:S-3:H-1:	C(C[6a]C[6a]2)(SiC[6a]CC)(NHS)(H)	Si(C[6a]C[6a]2)(CC[6a]HN)(CH3)2	N(CC[6a]SiH)(SC[6a]O)(H)	C(C[6a]C[6a]2)(SiC[6a]CC)(NHS)(H)	Si(C[6a]C[6a]2)(CC[6a]HN)(CH3)2	N(CC[6a]SiH)(SC[6a]O)(H)	111.1450	0.000	1	111.1450	0.000	1	109.1910	7.636	2	109.1910	7.636	2	110.9453	15.080	13	110.9453	15.080	13
490	880	956	0:SP3_SP3_SP3	C	Si	N	3:4:3:1:	3:4:4:4:	4:4:1:	C[6a]-3:Si-4:N-3:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(SiC[6a]CC)(NHS)(H)	Si(C[6a]C[6a]2)(CC[6a]HN)(CH3)2	N(CC[6a]SiH)(SCOO)(H)	C(C[6a]C[6a]2)(SiC[6a]CC)(NHS)(H)	Si(C[6a]C[6a]2)(CC[6a]HN)(CH3)2	N(CC[6a]SiH)(SCOO)(H)	110.2755	1.602	2	110.2755	2.565	2	110.2755	2.565	2	110.2755	2.565	2	110.9453	15.080	13	110.9453	15.080	13
490	880	956	0:SP3_SP3_SP3	C	Si	N	3:4:3:1:	4:4:4:4:	4:4:1:	C[6a]-3:Si-4:N-3:H-1:	C-4:C-4:C-4:C-4:	C-4:S-4:H-1:	C(C[6a]C[6a]2)(SiC3)(NHS)(H)	Si(CC[6a]HN)(CH3)3	N(CC[6a]SiH)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(SiC3)(NHS)(H)	Si(CC[6a]HN)(CH3)3	N(CC[6a]SiH)(SC[6a]OO)(H)	109.4090	0.000	1	109.4090	0.000	1	109.4090	0.000	1	109.4090	0.000	1	110.9453	15.080	13	110.9453	15.080	13
490	880	956	0:SP3_SP3_SP3	C	Si	N	4:3:1:1:	3:4:1:1:	4:4:4:	Si-4:N-3:H-1:H-1:	C[6a]-3:C-4:F-1:F-1:	C-4:C-4:C-4:	C(SiC[6a]FF)(NCC)(H)2	Si(C[6a]C[6a]2)(CHHN)(F)2	N(CSiHH)(CH3)2	C(SiC[6a]FF)(NCC)(H)2	Si(C[6a]C[6a]2)(CHHN)(F)2	N(CSiHH)(CH3)2	107.0050	0.000	1	107.0050	0.000	1	107.0050	0.000	1	107.0050	0.000	1	110.9453	15.080	13	110.9453	15.080	13
490	880	956	0:SP3_SP3_SP3	C	Si	N	4:3:1:1:	4:3:1:1:	4:4:4:	Si-4:N-3:H-1:H-1:	C-4:N-3:Cl-1:Cl-1:	C-4:C-4:C-4:	C(SiCl2N)(NCC)(H)2	Si(CHHN)(NCC)(Cl)2	N(CSiHH)(CHHN)(CH3)	C(SiCl2N)(NCC)(H)2	Si(CHHN)(NCC)(Cl)2	N(CSiHH)(CHHN)(CH3)	110.3220	0.000	1	110.3220	0.000	1	110.3220	0.000	1	110.3220	0.000	1	110.9453	15.080	13	110.9453	15.080	13
490	880	956	0:SP3_SP3_SP3	C	Si	N	4:3:1:1:	4:4:4:4:	4:4:1:	Si-4:N-3:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:C-4:H-1:	C(SiC3)(NCH)(H)2	Si(CHHN)(CH3)3	N(CC[5]HH)(CSiHH)(H)	C(SiC3)(NCH)(H)2	Si(CHHN)(CH3)3	N(CC[5]HH)(CSiHH)(H)	116.3430	0.000	1	116.3430	0.000	1	116.3430	0.000	1	116.3430	0.000	1	110.9453	15.080	13	110.9453	15.080	13
490	880	956	0:SP3_SP3_SP3	C	Si	N	4:3:1:1:	4:4:4:4:	4:4:4:	Si-4:N-3:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:C-4:C-4:	C(SiC3)(NCC)(H)2	Si(CCFF)3(CHHN)	N(CSiHH)(CH3)2	C(SiC3)(NCC)(H)2	Si(CCFF)3(CHHN)	N(CSiHH)(CH3)2	115.4640	0.000	1	115.4640	0.000	1	115.4640	0.000	1	115.4640	0.000	1	110.9453	15.080	13	110.9453	15.080	13
490	880	956	0:SP3_SP3_SP3	C	Si	N	4:3:2:1:	4:4:4:4:	4:4:1:	Si-4:N-3:C-2:H-1:	C-4:C-4:C-4:C-4:	S-4:C-4:H-1:	C(SiC3)(NHS)(CC)(H)	Si(CCHN)(CC3)(CH3)2	N(SC[6a]OO)(CSiCH)(H)	C(SiC3)(NHS)(CC)(H)	Si(CCHN)(CC3)(CH3)2	N(SC[6a]OO)(CSiCH)(H)	114.0243	0.238	3	114.0243	0.057	3	114.0243	0.057	3	114.0243	0.057	3	110.9453	15.080	13	110.9453	15.080	13
490	880	956	0:SP3_SP3_SP3	C	Si	N	4:4:3:1:	3:4:4:4:	4:3:1:	Si-4:C-4:N-3:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:S-3:H-1:	C(SiC[6a]CC)(CC3)(NHS)(H)	Si(C[6a]C[6a]2)(CCHN)(CH3)2	N(CSiCH)(SCO)(H)	C(SiC[6a]CC)(CC3)(NHS)(H)	Si(C[6a]C[6a]2)(CCHN)(CH3)2	N(CSiCH)(SCO)(H)	102.7400	0.000	1	102.7400	0.000	1	102.7400	0.000	1	102.7400	0.000	1	110.9453	15.080	13	110.9453	15.080	13
490	880	969	0:SP3_SP-NON_SP3	C	Si	Ga	3:4:4:4:	4:4:4:4:	4:3:1:	Ga-3:Si-4:Si-4:Si-4:	C-4:C-4:C-4:C-4:	C-4:Ga-3:I-1:	C(GaGaI)(SiC3)3	Si(CGaSi2)(CH3)3	Ga(CSi3)(GaCI)(I)	C(GaGaI)(SiC3)3	Si(CGaSi2)(CH3)3	Ga(CSi3)(GaCI)(I)	106.8410	2.460	3	106.8410	6.052	3	106.8410	6.052	3	106.8410	6.052	3	108.8732	21.083	18	108.8732	21.083	18
490	880	969	0:SP3_SP-NON_SP3	C	Si	Ga	4:3:1:1:	4:4:4:4:	4:4:4:	Si-4:Ga-3:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C-4:C-4:C-4:	C(SiC[6]CC)(GaCC)(H)2	Si(C[6]N[6]2H)(CGaHH)(CH3)2	Ga(CSiHH)(CH3)2	C(SiC[6]CC)(GaCC)(H)2	Si(C[6]N[6]2H)(CGaHH)(CH3)2	Ga(CSiHH)(CH3)2	108.2050	0.000	1	108.2050	0.000	1	108.2050	0.000	1	108.2050	0.000	1	108.8732	21.083	18	108.8732	21.083	18
490	880	969	0:SP3_SP-NON_SP3	C	Si	Ga	4:3:3:3:	4:4:4:4:	4:1:1:	Si-4:Ga-3:Ga-3:C-3:	C-4:C-4:C-4:C-4:	C-4:I-1:I-1:	C(SiC3)(GaII)2(CCC)	Si(CGa2C)(CH3)3	Ga(CGaSiC)(I)2	C(SiC3)(GaII)2(CCC)	Si(CGa2C)(CH3)3	Ga(CGaSiC)(I)2	109.9825	0.023	4	109.9825	0.001	4	109.9825	0.001	4	109.9825	0.001	4	108.8732	21.083	18	108.8732	21.083	18
490	880	969	0:SP3_SP-NON_SP3	C	Si	Ga	4:4:3:3:	4:4:4:4:	4:1:1:	Ga-4:Si-4:Ga-3:C-3:	C-4:C-4:C-4:C-4:	C-4:I-1:I-1:	C(GaIIO)(SiC3)(GaII)(CCC)	Si(CGa2C)(CH3)3	Ga(CGaSiC)(I)2	C(GaIIO)(SiC3)(GaII)(CCC)	Si(CGa2C)(CH3)3	Ga(CGaSiC)(I)2	111.5250	0.000	2	111.5250	0.000	2	111.5250	0.000	2	111.5250	0.000	2	108.8732	21.083	18	108.8732	21.083	18
490	880	969	0:SP3_SP-NON_SP3	C	Si	Ga	4:4:3:3:	4:4:4:4:	4:4:4:	C-4:Si-4:Ga-3:Ga-3:	C-4:C-4:C-4:C-4:	C-4:C-4:C-4:	C(CC[6a]HH)(SiC3)(GaCC)2	Si(CGa2C)(CH3)3	Ga(CGaSiC)(CCHH)2	C(CC[6a]HH)(SiC3)(GaCC)2	Si(CGa2C)(CH3)3	Ga(CGaSiC)(CCHH)2	110.8660	8.010	2	110.8660	64.162	2	110.8660	64.162	2	110.8660	64.162	2	108.8732	21.083	18	108.8732	21.083	18
490	880	969	0:SP3_SP-NON_SP3	C	Si	Ga	4:4:4:3:	4:4:4:1:	4:3:4:	Si-4:Si-4:Si-4:Ga-3:	C-4:C-4:C-4:Cl-1:	C-4:C-3:C-4:	C(SiClCC)(SiC3)2(GaCC)	Si(CGaSi2)(CH3)2(Cl)	Ga(CSi3)(CSiC)(CH3)	C(SiClCC)(SiC3)2(GaCC)	Si(CGaSi2)(CH3)2(Cl)	Ga(CSi3)(CSiC)(CH3)	101.1910	0.477	2	101.1910	0.227	2	101.1910	0.227	2	101.1910	0.227	2	108.8732	21.083	18	108.8732	21.083	18
490	880	969	0:SP3_SP-NON_SP3	C	Si	Ga	4:4:4:3:	4:4:4:4:	4:3:4:	Si-4:Si-4:Si-4:Ga-3:	C-4:C-4:C-4:C-4:	C-4:C-3:C-4:	C(SiClCC)(SiC3)2(GaCC)	Si(CGaSi2)(CH3)3	Ga(CSi3)(CSiC)(CH3)	C(SiClCC)(SiC3)2(GaCC)	Si(CGaSi2)(CH3)3	Ga(CSi3)(CSiC)(CH3)	110.9737	5.957	4	110.9737	35.492	4	110.9737	35.492	4	110.9737	35.492	4	108.8732	21.083	18	108.8732	21.083	18
490	880	979	0:SP3_SP2_SP3	C	Si	Si	4:4:3:1:	4:4:4:4:	4:4:4:	Si-4:Si-4:Si-3:H-1:	C-4:C-4:C-4:C-4:	C-4:C-4:C-4:	C(SiC3)2(SiCC)(H)	Si(CSi2H)(CH3)3	Si(CSi2H)2(CCCH)	C(SiC3)2(SiCC)(H)	Si(CSi2H)(CH3)3	Si(CSi2H)2(CCCH)	119.9866	4.763	8	119.9866	22.690	8	119.9866	22.690	8	119.9866	22.690	8	119.9866	22.690	8	119.9866	22.690	8
490	880	983	0:SP3_SP1_SP3	C	Si	C	4:2:1:1:	3:3:3:4:	4:2:	Si-4:C-2:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C-4:C-2:	C(SiC[6a]3)(CC)(H)2	Si(C[6a]C[6a]2)3(CCHH)	C(CSiHH)(CH)	C(SiC[6a]3)(CC)(H)2	Si(C[6a]C[6a]2)3(CCHH)	C(CSiHH)(CH)	116.2200	0.000	1	116.2200	0.000	1	116.2200	0.000	1	116.2200	0.000	1	110.8326	9.951	14	110.8326	9.951	14
490	880	983	0:SP3_SP1_SP3	C	Si	C	4:2:1:1:	4:4:4:4:	4:2:	Si-4:C-2:H-1:H-1:	C-4:Si-4:C-4:C-4:	C-4:C-2:	C(SiSiCC)(CC)(H)2	Si(CCHH)(SiC3)(CH3)2	C(CSiHH)(CC)	C(SiSiCC)(CC)(H)2	Si(CCHH)(SiC3)(CH3)2	C(CSiHH)(CC)	112.9170	1.645	3	112.9170	2.706	3	112.0821	2.060	9	112.0821	2.060	9	110.8326	9.951	14	110.8326	9.951	14
490	880	983	0:SP3_SP1_SP3	C	Si	C	4:2:1:1:	4:4:4:4:	4:2:	Si-4:C-2:H-1:H-1:	C-4:Si-4:C-4:C-4:	C-4:C-2:	C(SiSiCC)(CC)(H)2	Si(CCHH)(SiC3)(CH3)2	C(CSiHH)(CSi)	C(SiSiCC)(CC)(H)2	Si(CCHH)(SiC3)(CH3)2	C(CSiHH)(CSi)	111.6647	1.259	6	111.6647	1.586	6	112.0821	2.060	9	112.0821	2.060	9	110.8326	9.951	14	110.8326	9.951	14
490	880	983	0:SP3_SP1_SP3	C	Si	C	4:3:2:1:	4:4:4:4:	4:2:	Si-4:N-3:C-2:H-1:	C-4:C-4:C-4:C-4:	C-4:C-2:	C(SiC3)(NHS)(CC)(H)	Si(CCHN)(CC3)(CH3)2	C(CSiHN)(CSi)	C(SiC3)(NHS)(CC)(H)	Si(CCHN)(CC3)(CH3)2	C(CSiHN)(CSi)	106.6743	0.463	4	106.6743	0.214	4	106.6743	0.214	4	106.6743	0.214	4	110.8326	9.951	14	110.8326	9.951	14
490	880	984	0:SP3_SP-NON_SP3	C	Si	Ga	4:4:1:1:	4:4:4:4:	3:4:4:4:	Ga-4:Si-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C[5]-3:C-4:C-4:C-4:	C(GaC[5]CC)(SiC3)(H)2	Si(CGaHH)(CH3)3	Ga(C[5]C[5]N[5])(CSiHH)3	C(GaC[5]CC)(SiC3)(H)2	Si(CGaHH)(CH3)3	Ga(C[5]C[5]N[5])(CSiHH)3	120.3767	1.849	3	120.3767	3.418	3	120.3767	3.418	3	120.3767	3.418	3	116.4798	15.145	17	116.4798	15.145	17
490	880	984	0:SP3_SP-NON_SP3	C	Si	Ga	4:4:1:1:	4:4:4:4:	4:4:4:4:	Ga-4:Si-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:C-4:C-4:C-4:	C(GaC3)(SiC3)(H)2	Si(CGaHH)(CH3)3	Ga(CSiHH)4	C(GaC3)(SiC3)(H)2	Si(CGaHH)(CH3)3	Ga(CSiHH)4	118.3186	1.953	8	118.3186	3.815	8	118.3186	3.815	8	118.3186	3.815	8	116.4798	15.145	17	116.4798	15.145	17
490	880	984	0:SP3_SP-NON_SP3	C	Si	Ga	4:4:3:3:	4:4:4:4:	4:2:1:1:	Ga-4:Si-4:Ga-3:C-3:	C-4:C-4:C-4:C-4:	C-4:O-2:I-1:I-1:	C(GaIIO)(SiC3)(GaII)(CCC)	Si(CGa2C)(CH3)3	Ga(CGaSiC)(OC)(I)2	C(GaIIO)(SiC3)(GaII)(CCC)	Si(CGa2C)(CH3)3	Ga(CGaSiC)(OC)(I)2	110.7850	0.000	2	110.7850	0.000	2	110.7850	0.000	2	110.7850	0.000	2	116.4798	15.145	17	116.4798	15.145	17
490	880	984	0:SP3_SP-NON_SP3	C	Si	Ga	4:4:4:1:	4:4:4:4:	4:4:2:2:	Ga-4:Si-4:Si-4:H-1:	C-4:C-4:C-4:C-4:	C-4:C-4:O-2:O-2:	C(GaCOO)(SiC3)2(H)	Si(CGaSiH)(CH3)3	Ga(CSi2H)2(OLi)2	C(GaCOO)(SiC3)2(H)	Si(CGaSiH)(CH3)3	Ga(CSi2H)2(OLi)2	112.7267	2.233	4	112.7267	4.988	4	112.7267	4.988	4	112.7267	4.988	4	116.4798	15.145	17	116.4798	15.145	17
490	880	989	0:SP3_SP2_SP3	C	Si	Si[5,5]	3:4:4:4:	4:4:4:4:	4:4:4:	Si[5,5]-3:Si-4:Si-4:Si-4:	C-4:C-4:C-4:C-4:	C[5,5,6]-4:C[5,5,6]-4:C-4:	C(Si[5,5]C[5,5,6]2)(SiC3)3	Si(CSi[5,5]Si2)(CH3)3	Si[5,5](C[5,5,6]C[5,6,6a]2H)2(CSi3)	C(Si[5,5]C[5,5,6]2)(SiC3)3	Si(CSi[5,5]Si2)(CH3)3	Si[5,5](C[5,5,6]C[5,6,6a]2H)2(CSi3){4|C<3>}	108.0610	8.374	3	108.0610	70.126	3	108.0610	70.126	3	108.0610	70.126	3	108.0610	70.126	3	108.0610	70.126	3
490	880	990	0:SP3_SP2_SP3	C	Si	As	4:4:2:1:	4:4:4:4:	4:4:	Si-4:Si-4:As-2:H-1:	C-4:C-4:C-4:C-4:	C-4:C-4:	C(SiC3)2(AsC)(H)	Si(CAsSiH)(CH3)3	As(CSi2H)2	C(SiC3)2(AsC)(H)	Si(CAsSiH)(CH3)3	As(CSi2H)2	116.1579	7.769	63	116.1579	60.356	63	116.1579	60.356	63	116.1579	60.356	63	116.1579	60.356	63	116.1579	60.356	63
490	880	992	0:SP3_SP3_SP3	C	Si	P	3:3:4:4:	4:4:4:1:	3:4:4:4:	C[6a]-3:C[6a]-3:P-4:Si-4:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:B-4:C-4:	C(C[6a]C[6a]2)2(PC[6a]BC)(SiCCH)	Si(CC[6a]2P)(CH3)2(H)	P(C[6a]C[6a]2)(CC[6a]2Si)(BH3)(CH3)	C(C[6a]C[6a]2)2(PC[6a]BC)(SiCCH)	Si(CC[6a]2P)(CH3)2(H)	P(C[6a]C[6a]2)(CC[6a]2Si)(BH3)(CH3)	114.0680	0.000	1	114.0680	0.000	1	114.0680	0.000	1	114.0680	0.000	1	116.4595	13.950	28	116.4595	13.950	28
490	880	992	0:SP3_SP3_SP3	C	Si	P	4:4:1:1:	3:3:3:4:	3:3:4:1:	P-4:Si-4:Cl-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:S-1:	C(PC[6a]2S)(SiC[6a]3)(Cl)(H)	Si(C[6a]C[6a]2)3(CClHP)	P(C[6a]C[6a]2)2(CClSiH)(S)	C(PC[6a]2S)(SiC[6a]3)(Cl)(H)	Si(C[6a]C[6a]2)3(CClHP)	P(C[6a]C[6a]2)2(CClSiH)(S)	119.4335	0.285	2	119.4335	0.081	2	119.4335	0.081	2	119.4260	0.041	3	116.4595	13.950	28	116.4595	13.950	28
490	880	992	0:SP3_SP3_SP3	C	Si	P	4:4:1:1:	3:3:3:4:	3:3:4:1:	P-4:Si-4:H-1:I-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:S-1:	C(PC[6a]2S)(SiC[6a]3)(H)(I)	Si(C[6a]C[6a]2)3(CHIP)	P(C[6a]C[6a]2)2(CSiHI)(S)	C(PC[6a]2S)(SiC[6a]3)(H)(I)	Si(C[6a]C[6a]2)3(CHIP)	P(C[6a]C[6a]2)2(CSiHI)(S)	119.4110	0.000	1	119.4110	0.000	1	119.4110	0.000	1	119.4260	0.041	3	116.4595	13.950	28	116.4595	13.950	28
490	880	992	0:SP3_SP3_SP3	C	Si	P	4:4:1:1:	3:4:4:4:	3:3:4:1:	Si-4:P-4:Cl-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:C-4:S-1:	C(SiC[6a]CC)(PC[6a]2S)(Cl)(H)	Si(C[6a]C[6a]2)(CClHP)(CH3)2	P(C[6a]C[6a]2)2(CClSiH)(S)	C(SiC[6a]CC)(PC[6a]2S)(Cl)(H)	Si(C[6a]C[6a]2)(CClHP)(CH3)2	P(C[6a]C[6a]2)2(CClSiH)(S)	119.5080	0.000	1	119.5080	0.000	1	119.5080	0.000	1	119.5080	0.000	1	116.4595	13.950	28	116.4595	13.950	28
490	880	992	0:SP3_SP3_SP3	C	Si	P	4:4:1:1:	4:4:4:4:	3:3:4:1:	P-4:Si-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:C-4:S-1:	C(PC[6a]2S)(SiC3)(H)2	Si(CHHP)(CH3)3	P(C[6a]C[6a]2)2(CSiHH)(S)	C(PC[6a]2S)(SiC3)(H)2	Si(CHHP)(CH3)3	P(C[6a]C[6a]2)2(CSiHH)(S)	119.7920	0.000	1	119.7920	0.000	1	119.7920	0.000	1	119.8700	0.012	2	116.4595	13.950	28	116.4595	13.950	28
490	880	992	0:SP3_SP3_SP3	C	Si	P	4:4:1:1:	4:4:4:4:	3:3:4:1:	P-4:Si-4:H-1:I-1:	C-4:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:C-4:S-1:	C(PC[6a]2S)(SiC3)(H)(I)	Si(CHIP)(CH3)3	P(C[6a]C[6a]2)2(CSiHI)(S)	C(PC[6a]2S)(SiC3)(H)(I)	Si(CHIP)(CH3)3	P(C[6a]C[6a]2)2(CSiHI)(S)	119.9480	0.000	1	119.9480	0.000	1	119.9480	0.000	1	119.8700	0.012	2	116.4595	13.950	28	116.4595	13.950	28
490	880	992	0:SP3_SP3_SP3	C	Si	P	4:4:1:1:	4:4:4:4:	3:3:4:4:	P-4:Si-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:C-4:B-4:	C(PC[6a]2B)(SiC3)(H)2	Si(CHHP)(CH3)3	P(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CSiHH)(BH3)	C(PC[6a]2B)(SiC3)(H)2	Si(CHHP)(CH3)3	P(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CSiHH)(BH3)	121.2720	0.000	1	121.2720	0.000	1	121.2720	0.000	1	121.2720	0.000	1	116.4595	13.950	28	116.4595	13.950	28
490	880	992	0:SP3_SP3_SP3	C	Si	P	4:4:1:1:	4:4:4:4:	3:4:4:4:	P-4:Si-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C[6a]-3:C-4:C-4:B-4:	C(PC[6a]BC)(SiC3)(H)2	Si(CHHP)(CH3)3	P(C[6a]C[6a]2)(CSiHH)2(BH3)	C(PC[6a]BC)(SiC3)(H)2	Si(CHHP)(CH3)3	P(C[6a]C[6a]2)(CSiHH)2(BH3)	120.5480	1.382	2	120.5480	1.909	2	120.5480	1.909	2	120.5480	1.909	2	116.4595	13.950	28	116.4595	13.950	28
490	880	992	0:SP3_SP3_SP3	C	Si	P	4:4:1:1:	4:4:4:4:	4:4:4:4:	P-4:Si-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:B-4:C-4:C-4:	C(PBCC)(SiC3)(H)2	Si(CCHH)(CHHP)(CH3)2	P(CSiHH)(BH3)(CH3)2	C(PBCC)(SiC3)(H)2	Si(CCHH)(CHHP)(CH3)2	P(CSiHH)(BH3)(CH3)2	122.8280	0.000	1	122.8280	0.000	1	120.9230	3.407	3	120.9230	3.407	3	116.4595	13.950	28	116.4595	13.950	28
490	880	992	0:SP3_SP3_SP3	C	Si	P	4:4:1:1:	4:4:4:4:	4:4:4:4:	P-4:Si-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:B-4:C-4:C-4:	C(PBCC)(SiC3)(H)2	Si(CHHP)3(CH3)	P(CSiHH)(BH3)(CC3)(CH3)	C(PBCC)(SiC3)(H)2	Si(CHHP)3(CH3)	P(CSiHH)(BH3)(CC3)(CH3)	119.9705	1.170	2	119.9705	1.370	2	120.9230	3.407	3	120.9230	3.407	3	116.4595	13.950	28	116.4595	13.950	28
490	880	992	0:SP3_SP3_SP3	C	Si	P	4:4:4:1:	4:4:4:4:	3:4:4:4:	P-4:Si-4:Si-4:H-1:	C-4:C-4:C-4:C-4:	C[6a]-3:C-4:B-4:B-4:	C(PC[6a]BB)(SiC3)2(H)	Si(CSiHP)(CH3)3	P(C[6a]C[6a]2)(CSi2H)(BH3)2	C(PC[6a]BB)(SiC3)2(H)	Si(CSiHP)(CH3)3	P(C[6a]C[6a]2)(CSi2H)(BH3)2	113.8710	0.574	4	113.8710	0.330	4	113.8710	0.330	4	113.8710	0.330	4	116.4595	13.950	28	116.4595	13.950	28
490	880	992	0:SP3_SP3_SP3	C	Si	P	4:4:4:1:	4:4:4:4:	4:1:1:1:	P-4:Si-4:Si-4:H-1:	C-4:C-4:C-4:C-4:	C-4:Cl-1:Cl-1:S-1:	C(PCl2S)(SiC3)2(H)	Si(CSiHP)(CH3)3	P(CSi2H)(Cl)2(S)	C(PCl2S)(SiC3)2(H)	Si(CSiHP)(CH3)3	P(CSi2H)(Cl)2(S)	112.4635	2.208	2	112.4635	4.877	2	112.4635	4.877	2	112.5992	2.966	4	116.4595	13.950	28	116.4595	13.950	28
490	880	992	0:SP3_SP3_SP3	C	Si	P	4:4:4:1:	4:4:4:4:	4:1:1:1:	P-4:Si-4:Si-4:H-1:	C-4:C-4:C-4:C-4:	C-4:Cl-1:Cl-1:Se-1:	C(PCl2Se)(SiC3)2(H)	Si(CSiHP)(CH3)3	P(CSi2H)(Cl)2(Se)	C(PCl2Se)(SiC3)2(H)	Si(CSiHP)(CH3)3	P(CSi2H)(Cl)2(Se)	112.7350	1.987	2	112.7350	3.948	2	112.7350	3.948	2	112.5992	2.966	4	116.4595	13.950	28	116.4595	13.950	28
490	880	992	0:SP3_SP3_SP3	C	Si	P	4:4:4:1:	4:4:4:4:	4:2:1:1:	P-4:Si-4:Si-4:H-1:	C-4:C-4:C-4:C-4:	C-4:O-2:Cl-1:O-1:	C(PClOO)(SiC3)2(H)	Si(CSiHP)(CH3)3	P(CSi2H)(OH)(Cl)(O)	C(PClOO)(SiC3)2(H)	Si(CSiHP)(CH3)3	P(CSi2H)(OH)(Cl)(O)	113.0090	5.695	2	113.0090	32.433	2	113.0090	32.433	2	113.0090	32.433	2	116.4595	13.950	28	116.4595	13.950	28
490	880	992	0:SP3_SP3_SP3	C	Si	P	4:4:4:1:	4:4:4:4:	4:4:4:4:	C-4:P-4:Si-4:H-1:	C-4:C-4:C-4:C-4:	C-4:C-4:C-4:B-4:	C(CCHH)(PBCC)(SiC3)(H)	Si(CCHP)(CH3)3	P(CSiCH)(CCHH)2(BH3)	C(CCHH)(PBCC)(SiC3)(H)	Si(CCHP)(CH3)3	P(CSiCH)(CCHH)2(BH3)	117.1810	0.000	1	117.1810	0.000	1	117.1810	0.000	1	114.4472	3.505	5	116.4595	13.950	28	116.4595	13.950	28
490	880	992	0:SP3_SP3_SP3	C	Si	P	4:4:4:1:	4:4:4:4:	4:4:4:4:	P-4:Si-4:Si-4:H-1:	C-4:C-4:C-4:C-4:	C-4:B-4:C-4:C-4:	C(PBCC)(SiC3)2(H)	Si(CSiHP)(CCHH)(CH3)2	P(CSi2H)(BH3)(CH3)2	C(PBCC)(SiC3)2(H)	Si(CSiHP)(CCHH)(CH3)2	P(CSi2H)(BH3)(CH3)2	115.1920	0.000	1	115.1920	0.000	1	113.7637	1.560	4	114.4472	3.505	5	116.4595	13.950	28	116.4595	13.950	28
490	880	992	0:SP3_SP3_SP3	C	Si	P	4:4:4:1:	4:4:4:4:	4:4:4:4:	P-4:Si-4:Si-4:H-1:	C-4:C-4:C-4:C-4:	C-4:B-4:C-4:C-4:	C(PBCC)(SiC3)2(H)	Si(CSiHP)(CH3)3	P(CSi2H)(BH3)(CH3)2	C(PBCC)(SiC3)2(H)	Si(CSiHP)(CH3)3	P(CSi2H)(BH3)(CH3)2	113.2877	0.990	3	113.2877	0.980	3	113.7637	1.560	4	114.4472	3.505	5	116.4595	13.950	28	116.4595	13.950	28
490	880	996	0:SP3_SP3_SP3	C	Si	Si[4]	4:4:1:1:	4:4:4:4:	4:4:4:4:	Si[4]-4:Si-4:H-1:H-1:	C-4:Si-4:Si-4:Si-4:	C[4]-4:C[4]-4:C-4:C-4:	C(Si[4]C[4]2C)(SiSi3)(H)2	Si(CSi[4]HH)(SiC3)3	Si[4](C[4]Si[4]HH)2(CSiHH)2	C(Si[4]C[4]2C)(SiSi3)(H)2	Si(CSi[4]HH)(SiC3)3	Si[4](C[4]Si[4]HH)2(CSiHH)2{2|Si<4>}	120.5918	0.670	4	120.5918	0.448	4	120.5918	0.448	4	120.5918	0.448	4	120.5918	0.448	4	120.5918	0.448	4
490	880	999	0:SP3_SP3_SP3	C	Si	N[5]	4:4:1:1:	3:3:4:4:	4:4:4:4:	N[5]-4:Si-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:C-4:	C[5]-4:C[5]-4:C-4:C-4:	C(N[5]C[5]2C)(SiC[6a]2C)(H)2	Si(C[6a]C[6a]2)2(CN[5]HH)(CSnCH)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CSiHH)(CH3)	C(N[5]C[5]2C)(SiC[6a]2C)(H)2	Si(C[6a]C[6a]2)2(CN[5]HH)(CSnCH)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CSiHH)(CH3){4|H<1>}	122.2080	0.000	1	122.2080	0.000	1	122.2080	0.000	1	122.2080	0.000	1	123.2295	2.087	2	123.2295	2.087	2
490	880	999	0:SP3_SP3_SP3	C	Si	N[5]	4:4:1:1:	4:4:4:4:	4:4:4:4:	N[5]-4:Si-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C[5]-4:C[5]-4:C-4:C-4:	C(N[5]C[5]2C)(SiC3)(H)2	Si(CC[6a]SnH)(CN[5]HH)(CH3)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CSiHH)(CH3)	C(N[5]C[5]2C)(SiC3)(H)2	Si(CC[6a]SnH)(CN[5]HH)(CH3)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CSiHH)(CH3){4|H<1>}	124.2510	0.000	1	124.2510	0.000	1	124.2510	0.000	1	124.2510	0.000	1	123.2295	2.087	2	123.2295	2.087	2
490	882	951	0:SP3_SP-NON_SP3	C	P[4]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:P[4]-3:H-1:H-1:	C[4]-4:C[4]-4:C-4:	C-4:	C(C[6a]C[6a]2)(P[4]C[4]2)(H)2	P[4](C[4]C[4]CC)2(CC[6a]HH)	H(CC[6a]P[4]H)	C(C[6a]C[6a]2)(P[4]C[4]2)(H)2	P[4](C[4]C[4]CC)2(CC[6a]HH){1|C<4>,1|H<1>}	H(CC[6a]P[4]H)	109.2340	0.320	4	109.2340	0.102	4	109.2340	0.102	4	109.2340	0.102	4	107.8850	3.964	7	107.8850	3.964	7
490	882	951	0:SP3_SP-NON_SP3	C	P[4]	H	3:4:1:1:	3:3:4:	4:	P[4]-3:C-4:H-1:H-1:	N[4]-3:N[4]-3:C-4:	C-4:	C(P[4]N[4]2)(CP[4]HH)(H)2	P[4](N[4]Si[4]C)2(CCHH)	H(CP[4]CH)	C(P[4]N[4]2)(CP[4]HH)(H)2	P[4](N[4]Si[4]C)2(CCHH){2|C<4>}	H(CP[4]CH)	107.1265	0.006	2	107.1265	0.000	2	107.1265	0.000	2	107.1265	0.000	2	107.8850	3.964	7	107.8850	3.964	7
490	882	951	0:SP3_SP-NON_SP3	C	P[4]	H	3:4:4:1:	3:4:4:	4:	P[4]-3:Si-4:Si-4:H-1:	C[4]-3:P[4]-4:C-4:	C-4:	C(P[4]C[4]P[4])(SiC3)2(H)	P[4](C[4]C[6a]N[4])(P[4]N[4]CW)(CSi2H)	H(CP[4]Si2)	C(P[4]C[4]P[4])(SiC3)2(H)	P[4](C[4]C[6a]N[4])(P[4]N[4]CW)(CSi2H){2|C<3>}	H(CP[4]Si2)	104.0060	0.000	1	104.0060	0.000	1	104.0060	0.000	1	104.0060	0.000	1	107.8850	3.964	7	107.8850	3.964	7
490	885	951	0:SP3_SP-NON_SP-NON	C	Ga[5,3x6]	H	4:1:1:1:	4:3:3:4:	4:	Ga[5,3x6]-4:H-1:H-1:H-1:	N[5,5,6,6]-4:O[5,6,6]-3:O[5,6,6]-3:C-4:	C-4:	C(Ga[5,3x6]N[5,5,6,6]O[5,6,6]2)(H)3	Ga[5,3x6](N[5,5,6,6]Ga[5,5,6,6]N[5,5]H)(O[5,6,6]Ga[5,5,6,6]Ga[5,6])(O[5,6,6]Ga[5,5,6]Ga[5,6,6])(CH3)	H(CGa[5,3x6]HH)	C(Ga[5,3x6]N[5,5,6,6]O[5,6,6]2)(H)3	Ga[5,3x6](N[5,5,6,6]Ga[5,5,6,6]N[5,5]H)(O[5,6,6]Ga[5,5,6,6]Ga[5,6])(O[5,6,6]Ga[5,5,6]Ga[5,6,6])(CH3){1|N<3>,2|O<3>,3|N<4>,6|C<4>}	H(CGa[5,3x6]HH)	109.4693	0.051	3	109.4693	0.003	3	109.4693	0.003	3	109.4693	0.003	3	109.4693	0.003	3	109.4201	0.380	71
490	885	951	0:SP3_SP-NON_SP-NON	C	Ga[5,5,6,6]	H	4:1:1:1:	4:3:4:4:	4:	Ga[5,5,6,6]-4:H-1:H-1:H-1:	N[5,5,6,6]-4:O[5,6,6]-3:N[5,5,6]-4:C-4:	C-4:	C(Ga[5,5,6,6]N[5,5,6,6]N[5,5,6]O[5,6,6])(H)3	Ga[5,5,6,6](N[5,5,6,6]Ga[5,6,6]N[5,5]H)(O[5,6,6]Ga[5,3x6]Ga[5,6])(N[5,5,6]Ga[5,5,6]N[5]H)(CH3)	H(CGa[5,5,6,6]HH)	C(Ga[5,5,6,6]N[5,5,6,6]N[5,5,6]O[5,6,6])(H)3	Ga[5,5,6,6](N[5,5,6,6]Ga[5,6,6]N[5,5]H)(O[5,6,6]Ga[5,3x6]Ga[5,6])(N[5,5,6]Ga[5,5,6]N[5]H)(CH3){1|N<4>,3|O<3>,6|C<4>}	H(CGa[5,5,6,6]HH)	109.4770	0.016	3	109.4770	0.000	3	109.4770	0.000	3	109.4770	0.000	3	109.4812	0.003	6	109.4201	0.380	71
490	885	951	0:SP3_SP-NON_SP-NON	C	Ga[5,5,6,6]	H	4:1:1:1:	4:4:3:4:	4:	Ga[5,5,6,6]-4:H-1:H-1:H-1:	N[5,5,6,6]-4:N[5,5,6]-4:O[5,6]-3:C-4:	C-4:	C(Ga[5,5,6,6]N[5,5,6,6]N[5,5,6]O[5,6])(H)3	Ga[5,5,6,6](N[5,5,6,6]Ga[5,3x6]N[5,5]H)(N[5,5,6]Ga[5,5,6]N[5]H)(O[5,6]Ga[5,6]Ga[5])(CH3)	H(CGa[5,5,6,6]HH)	C(Ga[5,5,6,6]N[5,5,6,6]N[5,5,6]O[5,6])(H)3	Ga[5,5,6,6](N[5,5,6,6]Ga[5,3x6]N[5,5]H)(N[5,5,6]Ga[5,5,6]N[5]H)(O[5,6]Ga[5,6]Ga[5])(CH3){1|N<3>,3|O<3>,6|C<4>}	H(CGa[5,5,6,6]HH)	109.4853	0.083	3	109.4853	0.007	3	109.4853	0.007	3	109.4853	0.007	3	109.4812	0.003	6	109.4201	0.380	71
490	885	951	0:SP3_SP-NON_SP-NON	C	Ga[5,5,6]	H	4:1:1:1:	3:4:3:4:	4:	Ga[5,5,6]-4:H-1:H-1:H-1:	O[5,6,6]-3:N[5,5,6]-4:N[5,5]-3:C-4:	C-4:	C(Ga[5,5,6]N[5,5,6]O[5,6,6]N[5,5])(H)3	Ga[5,5,6](O[5,6,6]Ga[5,3x6]Ga[5,6,6])(N[5,5,6]Ga[5,5,6,6]N[5]H)(N[5,5]N[5,5,6,6]C)(CH3)	H(CGa[5,5,6]HH)	C(Ga[5,5,6]N[5,5,6]O[5,6,6]N[5,5])(H)3	Ga[5,5,6](O[5,6,6]Ga[5,3x6]Ga[5,6,6])(N[5,5,6]Ga[5,5,6,6]N[5]H)(N[5,5]N[5,5,6,6]C)(CH3){1|Ga<4>,1|H<1>,1|N<4>,3|O<3>,4|C<4>}	H(CGa[5,5,6]HH)	109.4873	0.038	3	109.4873	0.001	3	109.4873	0.001	3	109.4873	0.001	3	109.4898	0.001	5	109.4201	0.380	71
490	885	951	0:SP3_SP-NON_SP-NON	C	Ga[5,5,6]	H	4:1:1:1:	4:3:3:4:	4:	Ga[5,5,6]-4:H-1:H-1:H-1:	N[5,5,6]-4:O[5,6]-3:N[5,5]-3:C-4:	C-4:	C(Ga[5,5,6]N[5,5,6]N[5,5]O[5,6])(H)3	Ga[5,5,6](N[5,5,6]Ga[5,5,6,6]N[5]H)(O[5,6]Ga[5,6,6]Ga[5])(N[5,5]N[5,5,6,6]C)(CH3)	H(CGa[5,5,6]HH)	C(Ga[5,5,6]N[5,5,6]N[5,5]O[5,6])(H)3	Ga[5,5,6](N[5,5,6]Ga[5,5,6,6]N[5]H)(O[5,6]Ga[5,6,6]Ga[5])(N[5,5]N[5,5,6,6]C)(CH3){1|Ga<4>,1|H<1>,1|N<3>,3|O<3>,4|C<4>}	H(CGa[5,5,6]HH)	109.4935	0.046	2	109.4935	0.002	2	109.4935	0.002	2	109.4935	0.002	2	109.4898	0.001	5	109.4201	0.380	71
490	885	951	0:SP3_SP-NON_SP-NON	C	Ga[5,5]	H	4:1:1:1:	3:3:3:4:	4:	Ga[5,5]-4:H-1:H-1:H-1:	N[5]-3:N[5]-3:O[5,5]-3:C-4:	C-4:	C(Ga[5,5]O[5,5]N[5]2)(H)3	Ga[5,5](N[5]C[5,6a]C[6a])2(O[5,5]C[5,6a]2)(CH3)	H(CGa[5,5]HH)	C(Ga[5,5]O[5,5]N[5]2)(H)3	Ga[5,5](N[5]C[5,6a]C[6a])2(O[5,5]C[5,6a]2)(CH3){8|C<3>}	H(CGa[5,5]HH)	109.4323	0.025	3	109.4323	0.001	3	109.4323	0.001	3	109.4323	0.001	3	109.4420	0.001	5	109.4201	0.380	71
490	885	951	0:SP3_SP-NON_SP-NON	C	Ga[5,5]	H	4:1:1:1:	4:2:2:4:	4:	Ga[5,5]-4:H-1:H-1:H-1:	P[5,5]-4:S[5]-2:S[5]-2:C-4:	C-4:	C(Ga[5,5]P[5,5]S[5]2)(H)3	Ga[5,5](P[5,5]C[5,6a]2C[6a])(S[5]C[5,6a])2(CH3)	H(CGa[5,5]HH)	C(Ga[5,5]P[5,5]S[5]2)(H)3	Ga[5,5](P[5,5]C[5,6a]2C[6a])(S[5]C[5,6a])2(CH3){6|C<3>}	H(CGa[5,5]HH)	109.4565	0.042	2	109.4565	0.002	2	109.4565	0.002	2	109.4565	0.002	2	109.4420	0.001	5	109.4201	0.380	71
490	885	951	0:SP3_SP-NON_SP-NON	C	Ga[5,6,6]	H	4:1:1:1:	4:3:3:4:	4:	Ga[5,6,6]-4:H-1:H-1:H-1:	N[5,5,6,6]-4:O[5,6,6]-3:O[5,6]-3:C-4:	C-4:	C(Ga[5,6,6]N[5,5,6,6]O[5,6,6]O[5,6])(H)3	Ga[5,6,6](N[5,5,6,6]Ga[5,5,6,6]N[5,5]H)(O[5,6,6]Ga[5,3x6]Ga[5,5,6])(O[5,6]Ga[5,5,6]Ga[5])(CH3)	H(CGa[5,6,6]HH)	C(Ga[5,6,6]N[5,5,6,6]O[5,6,6]O[5,6])(H)3	Ga[5,6,6](N[5,5,6,6]Ga[5,5,6,6]N[5,5]H)(O[5,6,6]Ga[5,3x6]Ga[5,5,6])(O[5,6]Ga[5,5,6]Ga[5])(CH3){2|N<3>,2|O<3>,3|N<4>,6|C<4>}	H(CGa[5,6,6]HH)	109.4653	0.047	3	109.4653	0.002	3	109.4653	0.002	3	109.4653	0.002	3	109.4653	0.002	3	109.4201	0.380	71
490	885	951	0:SP3_SP-NON_SP-NON	C	Ga[5,6]	H	4:1:1:1:	3:3:3:4:	4:	Ga[5,6]-4:H-1:H-1:H-1:	O[5,6,6]-3:O[5,6]-3:N[5]-3:C-4:	C-4:	C(Ga[5,6]O[5,6,6]O[5,6]N[5])(H)3	Ga[5,6](O[5,6,6]Ga[5,5,6,6]Ga[5,3x6])(O[5,6]Ga[5,5,6,6]Ga[5])(N[5]N[5,5,6]C)(CH3)	H(CGa[5,6]HH)	C(Ga[5,6]O[5,6,6]O[5,6]N[5])(H)3	Ga[5,6](O[5,6,6]Ga[5,5,6,6]Ga[5,3x6])(O[5,6]Ga[5,5,6,6]Ga[5])(N[5]N[5,5,6]C)(CH3){1|Ga<4>,1|H<1>,1|N<3>,2|O<3>,3|N<4>,4|C<4>}	H(CGa[5,6]HH)	109.5025	0.006	2	109.5025	0.000	2	109.5025	0.000	2	109.5025	0.000	2	109.0059	3.554	8	109.4201	0.380	71
490	885	951	0:SP3_SP-NON_SP-NON	C	Ga[5,6]	H	4:1:1:1:	4:4:4:4:	4:	Ga[5,6]-4:H-1:H-1:H-1:	N[5,5,6]-4:C[5,6]-4:C-4:C-4:	C-4:	C(Ga[5,6]N[5,5,6]C[5,6]C)(H)3	Ga[5,6](N[5,5,6]C[5,5]C[5,6]C)(C[5,6]N[5,5,6]HH)(CH3)2	H(CGa[5,6]HH)	C(Ga[5,6]N[5,5,6]C[5,6]C)(H)3	Ga[5,6](N[5,5,6]C[5,5]C[5,6]C)(C[5,6]N[5,5,6]HH)(CH3)2{1|Ga<4>,1|C<4>,4|H<1>}	H(CGa[5,6]HH)	108.8403	2.201	6	108.8403	4.844	6	108.8403	4.844	6	108.8403	4.844	6	109.0059	3.554	8	109.4201	0.380	71
490	885	951	0:SP3_SP-NON_SP-NON	C	Ga[5]	H	4:1:1:1:	2:2:4:4:	4:	Ga[5]-4:H-1:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:	C-4:	C(Ga[5]O[5]2C)(H)3	Ga[5](O[5]C[5])2(CH3)2	H(CGa[5]HH)	C(Ga[5]O[5]2C)(H)3	Ga[5](O[5]C[5])2(CH3)2{1|C<4>,1|H<1>,1|O<1>}	H(CGa[5]HH)	109.4505	0.019	4	109.4505	0.000	4	109.4505	0.000	4	109.4505	0.000	4	109.4739	0.003	41	109.4201	0.380	71
490	885	951	0:SP3_SP-NON_SP-NON	C	Ga[5]	H	4:1:1:1:	3:2:4:4:	4:	Ga[5]-4:H-1:H-1:H-1:	N[5]-3:O[5]-2:C-4:C-4:	C-4:	C(Ga[5]N[5]O[5]C)(H)3	Ga[5](N[5]C[5,6a]C)(O[5]C[5,6a])(CH3)2	H(CGa[5]HH)	C(Ga[5]N[5]O[5]C)(H)3	Ga[5](N[5]C[5,6a]C)(O[5]C[5,6a])(CH3)2{2|C<3>}	H(CGa[5]HH)	109.4750	0.064	6	109.4750	0.004	6	109.4750	0.004	6	109.4750	0.004	6	109.4739	0.003	41	109.4201	0.380	71
490	885	951	0:SP3_SP-NON_SP-NON	C	Ga[5]	H	4:1:1:1:	3:3:3:4:	4:	Ga[5]-4:H-1:H-1:H-1:	N[5]-3:N[5]-3:N-3:C-4:	C-4:	C(Ga[5]N[5]2N)(H)3	Ga[5](N[5]C[5]C)2(NSi2)(CH3)	H(CGa[5]HH)	C(Ga[5]N[5]2N)(H)3	Ga[5](N[5]C[5]C)2(NSi2)(CH3){1|Ga<4>,1|H<1>}	H(CGa[5]HH)	109.5053	0.032	3	109.5053	0.001	3	109.5053	0.001	3	109.4785	0.001	11	109.4739	0.003	41	109.4201	0.380	71
490	885	951	0:SP3_SP-NON_SP-NON	C	Ga[5]	H	4:1:1:1:	3:3:3:4:	4:	Ga[5]-4:H-1:H-1:H-1:	N[5]-3:N[5]-3:O-3:C-4:	C-4:	C(Ga[5]N[5]2O)(H)3	Ga[5](N[5]C[5]C)2(OGa[5]H)(CH3)	H(CGa[5]HH)	C(Ga[5]N[5]2O)(H)3	Ga[5](N[5]C[5]C)2(OGa[5]H)(CH3){2|C<3>}	H(CGa[5]HH)	109.4756	0.034	5	109.4756	0.001	5	109.4756	0.001	5	109.4785	0.001	11	109.4739	0.003	41	109.4201	0.380	71
490	885	951	0:SP3_SP-NON_SP-NON	C	Ga[5]	H	4:1:1:1:	3:3:3:4:	4:	Ga[5]-4:H-1:H-1:H-1:	O[5,6]-3:O[5,6]-3:N[5]-3:C-4:	C-4:	C(Ga[5]O[5,6]2N[5])(H)3	Ga[5](O[5,6]Ga[5,5,6,6]Ga[5,6])(O[5,6]Ga[5,5,6]Ga[5,6,6])(N[5]N[5,5,6]C)(CH3)	H(CGa[5]HH)	C(Ga[5]O[5,6]2N[5])(H)3	Ga[5](O[5,6]Ga[5,5,6,6]Ga[5,6])(O[5,6]Ga[5,5,6]Ga[5,6,6])(N[5]N[5,5,6]C)(CH3){1|Ga<4>,1|H<1>,2|N<3>,2|O<3>,3|N<4>,4|C<4>}	H(CGa[5]HH)	109.4563	0.046	3	109.4563	0.002	3	109.4563	0.002	3	109.4785	0.001	11	109.4739	0.003	41	109.4201	0.380	71
490	885	951	0:SP3_SP-NON_SP-NON	C	Ga[5]	H	4:1:1:1:	3:3:4:4:	4:	Ga[5]-4:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:C-4:	C-4:	C(Ga[5]N[5]2C)(H)3	Ga[5](N[5]C[5]C)2(CH3)2	H(CGa[5]HH)	C(Ga[5]N[5]2C)(H)3	Ga[5](N[5]C[5]C)2(CH3)2{2|H<1>}	H(CGa[5]HH)	109.4763	0.021	3	109.4763	0.000	3	109.4711	0.002	13	109.4711	0.002	13	109.4739	0.003	41	109.4201	0.380	71
490	885	951	0:SP3_SP-NON_SP-NON	C	Ga[5]	H	4:1:1:1:	3:3:4:4:	4:	Ga[5]-4:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:C-4:	C-4:	C(Ga[5]N[5]2C)(H)3	Ga[5](N[5]C[5]C[6])2(CH3)2	H(CGa[5]HH)	C(Ga[5]N[5]2C)(H)3	Ga[5](N[5]C[5]C[6])2(CH3)2{4|C<4>,4|H<1>}	H(CGa[5]HH)	109.4592	0.027	4	109.4592	0.001	4	109.4711	0.002	13	109.4711	0.002	13	109.4739	0.003	41	109.4201	0.380	71
490	885	951	0:SP3_SP-NON_SP-NON	C	Ga[5]	H	4:1:1:1:	3:3:4:4:	4:	Ga[5]-4:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:C-4:	C-4:	C(Ga[5]N[5]2C)(H)3	Ga[5](N[5]C[6a]C[5])2(CH3)2	H(CGa[5]HH)	C(Ga[5]N[5]2C)(H)3	Ga[5](N[5]C[6a]C[5])2(CH3)2{3|C<4>,4|C<3>}	H(CGa[5]HH)	109.4763	0.064	6	109.4763	0.004	6	109.4711	0.002	13	109.4711	0.002	13	109.4739	0.003	41	109.4201	0.380	71
490	885	951	0:SP3_SP-NON_SP-NON	C	Ga[5]	H	4:1:1:1:	4:3:4:1:	4:	Ga[5]-4:H-1:H-1:H-1:	N[5]-4:O[5]-3:C-4:Cl-1:	C-4:	C(Ga[5]N[5]O[5]Cl)(H)3	Ga[5](N[5]C[5]CC)(O[5]C[5]Ga)(CH3)(Cl)	H(CGa[5]HH)	C(Ga[5]N[5]O[5]Cl)(H)3	Ga[5](N[5]C[5]CC)(O[5]C[5]Ga)(CH3)(Cl){4|H<1>}	H(CGa[5]HH)	109.4907	0.150	3	109.4907	0.023	3	109.4907	0.023	3	109.4907	0.023	3	109.4739	0.003	41	109.4201	0.380	71
490	885	951	0:SP3_SP-NON_SP-NON	C	Ga[5]	H	4:1:1:1:	4:4:4:4:	4:	Ga[5]-4:H-1:H-1:H-1:	N[5]-4:N[5]-4:C-4:C-4:	C-4:	C(Ga[5]N[5]2C)(H)3	Ga[5](N[5]C[5]CC)2(CH3)2	H(CGa[5]HH)	C(Ga[5]N[5]2C)(H)3	Ga[5](N[5]C[5]CC)2(CH3)2{4|H<1>}	H(CGa[5]HH)	109.4795	0.020	4	109.4795	0.000	4	109.4795	0.000	4	109.4795	0.000	4	109.4739	0.003	41	109.4201	0.380	71
490	887	887	0:SP3_SP3_SP3	C	S	S	3:3:1:1:	3:4:1:	3:4:1:	S-3:S-3:H-1:H-1:	C[6a]-3:C-4:O-1:	C[6a]-3:C-4:O-1:	C(SC[6a]O)2(H)2	S(C[6a]C[6a]2)(CHHS)(O)	S(C[6a]C[6a]2)(CHHS)(O)	C(SC[6a]O)2(H)2	S(C[6a]C[6a]2)(CHHS)(O)	S(C[6a]C[6a]2)(CHHS)(O)	108.8083	3.615	3	108.8083	13.066	3	108.8083	13.066	3	108.8083	13.066	3	108.8083	13.066	3	108.8083	13.066	3
490	887	909	0:SP3_SP3_SP3	C	S	S	3:2:1:1:	4:4:1:	4:4:	S-3:S-2:H-1:H-1:	C-4:C-4:O-1:	C-4:C-4:	C(SCO)(SC)(H)2	S(CCHH)(CHHS)(O)	S(CHHS)(CH3)	C(SCO)(SC)(H)2	S(CCHH)(CHHS)(O)	S(CHHS)(CH3)	111.8440	0.000	1	111.8440	0.000	1	111.8440	0.000	1	111.8440	0.000	1	111.1967	0.318	3	111.1967	0.318	3
490	887	909	0:SP3_SP3_SP3	C	S	S	3:2:1:1:	4:4:4:	4:4:	S-3:S-2:H-1:H-1:	C-4:C-4:C-4:	C-4:C-4:	C(SCC)(SC)(H)2	S(CHHS)(CH3)2	S(CHHS)(CH3)	C(SCC)(SC)(H)2	S(CHHS)(CH3)2	S(CHHS)(CH3)	110.8730	0.083	2	110.8730	0.007	2	110.8730	0.007	2	110.8730	0.007	2	111.1967	0.318	3	111.1967	0.318	3
490	887	921	0:SP3_SP3_SP3	C	S	Se	3:2:3:1:	4:4:1:	3:4:	C-3:Se-2:S-3:H-1:	C-4:C-4:O-1:	C[6a]-3:C-4:	C(CC[6a]O)(SeC[6a])(SCO)(H)	S(CSeCH)(CCHH)(O)	Se(C[6a]C[6a]2)(CCHS)	C(CC[6a]O)(SeC[6a])(SCO)(H)	S(CSeCH)(CCHH)(O)	Se(C[6a]C[6a]2)(CCHS)	109.7720	0.000	1	109.7720	0.000	1	109.7720	0.000	1	109.7720	0.000	1	109.7720	0.000	1	109.7720	0.000	1
490	887	930	0:SP3_SP2_SP3	C	S	C	3:2:3:1:	4:4:1:	3:4:1:	C-3:Se-2:S-3:H-1:	C-4:C-4:O-1:	C[6a]-3:C-4:O-1:	C(CC[6a]O)(SeC[6a])(SCO)(H)	S(CSeCH)(CCHH)(O)	C(C[6a]C[6a]2)(CSeHS)(O)	C(CC[6a]O)(SeC[6a])(SCO)(H)	S(CSeCH)(CCHH)(O)	C(C[6a]C[6a]2)(CSeHS)(O)	108.6080	0.000	1	108.6080	0.000	1	108.6080	0.000	1	108.6080	0.000	1	109.9514	5.812	33	109.9514	5.812	33
490	887	930	0:SP3_SP2_SP3	C	S	C	3:3:1:1:	3:4:1:	3:4:1:	C-3:S-3:H-1:H-1:	C[6a]-3:C-4:O-1:	C[6a]-3:C-4:O-1:	C(CC[6a]O)(SC[6a]O)(H)2	S(C[6a]C[6a]2)(CCHH)(O)	C(C[6a]C[6a]2)(CHHS)(O)	C(CC[6a]O)(SC[6a]O)(H)2	S(C[6a]C[6a]2)(CCHH)(O)	C(C[6a]C[6a]2)(CHHS)(O)	107.4360	0.000	1	107.4360	0.000	1	107.4360	0.000	1	108.2337	0.478	3	109.9514	5.812	33	109.9514	5.812	33
490	887	930	0:SP3_SP2_SP3	C	S	C	3:3:1:1:	3:4:1:	3:4:1:	S-3:C-3:H-1:H-1:	C[6a]-3:C-4:O-1:	N-3:C-4:O-1:	C(SC[6a]O)(CNO)(H)2	S(C[6a]C[6a]2)(CCHH)(O)	C(NC[6a]H)(CHHS)(O)	C(SC[6a]O)(CNO)(H)2	S(C[6a]C[6a]2)(CCHH)(O)	C(NC[6a]H)(CHHS)(O)	108.6610	0.000	1	108.6610	0.000	1	108.6610	0.000	1	108.2337	0.478	3	109.9514	5.812	33	109.9514	5.812	33
490	887	930	0:SP3_SP2_SP3	C	S	C	3:3:1:1:	3:4:1:	3:4:1:	S-3:C-3:H-1:H-1:	C[6a]-3:C-4:O-1:	N[5]-3:C-4:O-1:	C(SC[6a]O)(CN[5]O)(H)2	S(C[6a]C[6a]2)(CCHH)(O)	C(N[5]C[5]2)(CHHS)(O)	C(SC[6a]O)(CN[5]O)(H)2	S(C[6a]C[6a]2)(CCHH)(O)	C(N[5]C[5]2)(CHHS)(O)	108.6040	0.000	1	108.6040	0.000	1	108.6040	0.000	1	108.2337	0.478	3	109.9514	5.812	33	109.9514	5.812	33
490	887	930	0:SP3_SP2_SP3	C	S	C	3:3:1:1:	3:4:1:	4:2:1:	S-3:C-3:H-1:H-1:	C[6a]-3:C-4:O-1:	C-4:O-2:O-1:	C(SC[6a]O)(COO)(H)2	S(C[6a]C[6a]2)(CCHH)(O)	C(CHHS)(OCu)(O)	C(SC[6a]O)(COO)(H)2	S(C[6a]C[6a]2)(CCHH)(O)	C(CHHS)(OCu)(O)	107.5460	0.000	1	107.5460	0.000	1	108.0550	0.198	3	108.0550	0.198	3	109.9514	5.812	33	109.9514	5.812	33
490	887	930	0:SP3_SP2_SP3	C	S	C	3:3:1:1:	3:4:1:	4:2:1:	S-3:C-3:H-1:H-1:	C[6a]-3:C-4:O-1:	C-4:O-2:O-1:	C(SC[6a]O)(COO)(H)2	S(C[6a]C[6a]2)(CCHH)(O)	C(CHHS)(OH)(O)	C(SC[6a]O)(COO)(H)2	S(C[6a]C[6a]2)(CCHH)(O)	C(CHHS)(OH)(O)	108.3095	0.090	2	108.3095	0.008	2	108.0550	0.198	3	108.0550	0.198	3	109.9514	5.812	33	109.9514	5.812	33
490	887	930	0:SP3_SP2_SP3	C	S	C	3:3:1:1:	3:4:1:	4:3:1:	S-3:C-3:H-1:H-1:	C[5a]-3:C-4:O-1:	C-4:C-3:H-1:	C(SC[5a]O)(CCH)(H)2	S(C[5a]C[5a,6a]C[5a])(CCHH)(O)	C(CHHS)(CHH)(H)	C(SC[5a]O)(CCH)(H)2	S(C[5a]C[5a,6a]C[5a])(CCHH)(O)	C(CHHS)(CHH)(H)	111.4547	1.994	3	111.4547	3.976	3	111.4547	3.976	3	111.3064	3.876	5	109.9514	5.812	33	109.9514	5.812	33
490	887	930	0:SP3_SP2_SP3	C	S	C	3:3:1:1:	3:4:1:	4:3:1:	S-3:C-3:H-1:H-1:	C[6a]-3:C-4:O-1:	C-4:N-3:O-1:	C(SC[6a]O)(CNO)(H)2	S(C[6a]C[6a]2)(CCHH)(O)	C(CHHS)(NCH)(O)	C(SC[6a]O)(CNO)(H)2	S(C[6a]C[6a]2)(CCHH)(O)	C(CHHS)(NCH)(O)	111.0840	2.718	2	111.0840	7.388	2	111.0840	7.388	2	111.3064	3.876	5	109.9514	5.812	33	109.9514	5.812	33
490	887	930	0:SP3_SP2_SP3	C	S	C	3:3:1:1:	3:4:1:	4:4:1:	S-3:C-3:H-1:H-1:	C[6a]-3:C-4:O-1:	C[5]-4:C-4:O-1:	C(SC[6a]O)(CC[5]O)(H)2	S(C[6a]C[6a]2)(CCHH)(O)	C(C[5]C[5]N[5]H)(CHHS)(O)	C(SC[6a]O)(CC[5]O)(H)2	S(C[6a]C[6a]2)(CCHH)(O)	C(C[5]C[5]N[5]H)(CHHS)(O)	110.5210	0.000	1	110.5210	0.000	1	110.5210	0.000	1	110.5210	0.000	1	109.9514	5.812	33	109.9514	5.812	33
490	887	930	0:SP3_SP2_SP3	C	S	C	3:3:1:1:	4:3:1:	4:1:1:	C-3:S-3:F-1:F-1:	C-4:N-3:O-1:	C-4:Cl-1:F-1:	C(CClF)(SNO)(F)2	S(CCFF)(NCH)(O)	C(CFFS)(Cl)(F)	C(CClF)(SNO)(F)2	S(CCFF)(NCH)(O)	C(CFFS)(Cl)(F)	114.5020	0.000	1	114.5020	0.000	1	114.5020	0.000	1	114.5020	0.000	1	109.9514	5.812	33	109.9514	5.812	33
490	887	930	0:SP3_SP2_SP3	C	S	C	3:3:1:1:	4:4:1:	4:1:1:	C-3:S-3:H-1:H-1:	C-4:C-4:O-1:	C-4:O-1:O-1:	C(COO)(SCO)(H)2	S(CC[6a]2H)(CCHH)(O)	C(CHHS)(O)2	C(COO)(SCO)(H)2	S(CC[6a]2H)(CCHH)(O)	C(CHHS)(O)2	111.0470	0.000	1	111.0470	0.000	1	111.0470	0.000	1	111.0470	0.000	1	109.9514	5.812	33	109.9514	5.812	33
490	887	930	0:SP3_SP2_SP3	C	S	C	3:3:1:1:	4:4:1:	4:3:1:	C-3:S-3:H-1:H-1:	C-4:C-4:O-1:	C-4:C-3:H-1:	C(CCH)(SCO)(H)2	S(CCHH)2(O)	C(CHHS)(CHH)(H)	C(CCH)(SCO)(H)2	S(CCHH)2(O)	C(CHHS)(CHH)(H)	110.2510	0.816	2	110.2510	0.666	2	110.2510	0.666	2	109.6788	11.808	9	109.9514	5.812	33	109.9514	5.812	33
490	887	930	0:SP3_SP2_SP3	C	S	C	3:3:1:1:	4:4:1:	4:3:1:	C-3:S-3:H-1:H-1:	C-4:C-4:O-1:	C-4:N-3:O-1:	C(CNO)(SCO)(H)2	S(CC[6a]2H)(CCHH)(O)	C(CHHS)(NHH)(O)	C(CNO)(SCO)(H)2	S(CC[6a]2H)(CCHH)(O)	C(CHHS)(NHH)(O)	109.5153	3.936	7	109.5153	15.493	7	109.5153	15.493	7	109.6788	11.808	9	109.9514	5.812	33	109.9514	5.812	33
490	887	930	0:SP3_SP2_SP3	C	S	C	3:3:1:1:	4:4:4:	3:4:1:	C-3:S-3:H-1:H-1:	C-4:C-4:C-4:	C[6a]-3:C-4:O-1:	C(CC[6a]O)(SCC)(H)2	S(CCHH)(CH3)2	C(C[6a]C[6a]2)(CHHS)(O)	C(CC[6a]O)(SCC)(H)2	S(CCHH)(CH3)2	C(C[6a]C[6a]2)(CHHS)(O)	110.2880	0.000	1	110.2880	0.000	1	110.2880	0.000	1	110.2880	0.000	1	109.9514	5.812	33	109.9514	5.812	33
490	887	930	0:SP3_SP2_SP3	C	S	C	3:3:1:1:	4:4:4:	4:2:1:	C-3:S-3:H-1:H-1:	C-4:C-4:C-4:	C-4:O-2:O-1:	C(COO)(SCC)(H)2	S(CCHH)(CH3)2	C(CHHS)(OH)(O)	C(COO)(SCC)(H)2	S(CCHH)(CH3)2	C(CHHS)(OH)(O)	110.2650	0.000	1	110.2650	0.000	1	110.2650	0.000	1	110.2650	0.000	1	109.9514	5.812	33	109.9514	5.812	33
490	887	930	0:SP3_SP2_SP3	C	S	C	3:3:1:1:	4:4:4:	4:3:1:	S-3:C-3:H-1:H-1:	C[5,6]-4:C-4:C-4:	C-4:C-3:H-1:	C(SC[5,6]C)(CCH)(H)2	S(C[5,6]C[5,5,6]C[5,6]H)(CCHH)(CH3)	C(CHHS)(CSiH)(H)	C(SC[5,6]C)(CCH)(H)2	S(C[5,6]C[5,5,6]C[5,6]H)(CCHH)(CH3)	C(CHHS)(CSiH)(H)	113.0400	0.000	1	113.0400	0.000	1	113.0400	0.000	1	110.2710	15.335	2	109.9514	5.812	33	109.9514	5.812	33
490	887	930	0:SP3_SP2_SP3	C	S	C	3:3:1:1:	4:4:4:	4:3:1:	S-3:C-3:H-1:H-1:	C[5,6]-4:C-4:C-4:	C-4:N-3:O-1:	C(SC[5,6]C)(CNO)(H)2	S(C[5,6]C[5,5,6]C[5,6]H)(CCHH)(CH3)	C(CHHS)(NCC)(O)	C(SC[5,6]C)(CNO)(H)2	S(C[5,6]C[5,5,6]C[5,6]H)(CCHH)(CH3)	C(CHHS)(NCC)(O)	107.5020	0.000	1	107.5020	0.000	1	107.5020	0.000	1	110.2710	15.335	2	109.9514	5.812	33	109.9514	5.812	33
490	887	930	0:SP3_SP2_SP3	C	S	C	3:3:1:1:	4:4:4:	4:4:1:	C-3:S-3:H-1:H-1:	C-4:C-4:C-4:	C-4:C-4:O-1:	C(CCO)(SCC)(H)2	S(CCHH)(CH3)2	C(CHHS)(CH3)(O)	C(CCO)(SCC)(H)2	S(CCHH)(CH3)2	C(CHHS)(CH3)(O)	110.4165	0.390	2	110.4165	0.152	2	109.6123	2.016	3	109.6123	2.016	3	109.9514	5.812	33	109.9514	5.812	33
490	887	930	0:SP3_SP2_SP3	C	S	C	3:3:1:1:	4:4:4:	4:4:1:	C-3:S-3:H-1:H-1:	C-4:C-4:C-4:	C-4:C-4:O-1:	C(CCO)(SCC)(H)2	S(CCHH)(CH3)2	C(CPdHP)(CHHS)(O)	C(CCO)(SCC)(H)2	S(CCHH)(CH3)2	C(CPdHP)(CHHS)(O)	108.0040	0.000	1	108.0040	0.000	1	109.6123	2.016	3	109.6123	2.016	3	109.9514	5.812	33	109.9514	5.812	33
490	887	930	0:SP3_SP2_SP3	C	S	C	3:4:3:1:	3:4:1:	4:3:1:	S-3:C-4:C-3:H-1:	C[6a]-3:C-4:O-1:	C-4:N-3:O-1:	C(SC[6a]O)(CH3)(CNO)(H)	S(C[6a]C[6a]2)(CCCH)(O)	C(CCHS)(NCO)(O)	C(SC[6a]O)(CH3)(CNO)(H)	S(C[6a]C[6a]2)(CCCH)(O)	C(CCHS)(NCO)(O)	110.7870	0.000	1	110.7870	0.000	1	110.7870	0.000	1	110.7870	0.000	1	109.9514	5.812	33	109.9514	5.812	33
490	887	930	0:SP3_SP2_SP3	C	S	C	3:4:3:1:	3:4:1:	4:4:1:	S-3:C-4:C-3:H-1:	C[6a]-3:C-4:O-1:	C-4:C-4:O-1:	C(SC[6a]O)(CCCH)(CCO)(H)	S(C[6a]C[6a]2)(CCCH)(O)	C(CCCH)(CCHS)(O)	C(SC[6a]O)(CCCH)(CCO)(H)	S(C[6a]C[6a]2)(CCCH)(O)	C(CCCH)(CCHS)(O)	110.4930	0.000	1	110.4930	0.000	1	110.4930	0.000	1	110.4930	0.000	1	109.9514	5.812	33	109.9514	5.812	33
490	887	945	0:SP3_SP3_SP3	C	S	P	3:3:1:1:	4:3:2:	3:3:4:	P-3:S-3:H-1:H-1:	C-4:N-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C(PC[6a]2)(SNN)(H)2	S(CHHP)(NSiH)(NSi)	P(C[6a]C[6a]2)2(CHHS)	C(PC[6a]2)(SNN)(H)2	S(CHHP)(NSiH)(NSi)	P(C[6a]C[6a]2)2(CHHS)	113.5370	0.000	1	113.5370	0.000	1	113.5370	0.000	1	113.5370	0.000	1	113.5370	0.000	1	113.5370	0.000	1
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:1:1:1:	2:4:4:	4:	S-3:H-1:H-1:H-1:	O-2:C-4:C-4:	C-4:	C(SCO)(H)3	S(OB[6])(CH3)2	H(CHHS)	C(SCO)(H)3	S(OB[6])(CH3)2	H(CHHS)	106.6683	1.713	12	106.6683	2.933	12	108.1762	3.318	26	108.5095	2.770	35	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:1:1:1:	2:4:4:	4:	S-3:H-1:H-1:H-1:	O-2:C-4:C-4:	C-4:	C(SCO)(H)3	S(OIn[5,5])(CH3)2	H(CHHS)	C(SCO)(H)3	S(OIn[5,5])(CH3)2	H(CHHS)	109.4512	0.021	5	109.4512	0.000	5	108.1762	3.318	26	108.5095	2.770	35	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:1:1:1:	2:4:4:	4:	S-3:H-1:H-1:H-1:	O-2:C-4:C-4:	C-4:	C(SCO)(H)3	S(OIn[5])(CH3)2	H(CHHS)	C(SCO)(H)3	S(OIn[5])(CH3)2	H(CHHS)	109.4735	0.033	4	109.4735	0.001	4	108.1762	3.318	26	108.5095	2.770	35	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:1:1:1:	2:4:4:	4:	S-3:H-1:H-1:H-1:	O-2:C-4:C-4:	C-4:	C(SCO)(H)3	S(OIn[6])(CH3)2	H(CHHS)	C(SCO)(H)3	S(OIn[6])(CH3)2	H(CHHS)	109.4820	0.066	5	109.4820	0.004	5	108.1762	3.318	26	108.5095	2.770	35	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:1:1:1:	2:4:4:	4:	S-3:H-1:H-1:H-1:	Se-2:C-4:C-4:	C-4:	C(SSeC)(H)3	S(SeBr)(CH3)2	H(CHHS)	C(SSeC)(H)3	S(SeBr)(CH3)2	H(CHHS)	109.4778	0.019	4	109.4778	0.000	4	109.4724	0.001	9	108.5095	2.770	35	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:1:1:1:	2:4:4:	4:	S-3:H-1:H-1:H-1:	Se-2:C-4:C-4:	C-4:	C(SSeC)(H)3	S(SeCl)(CH3)2	H(CHHS)	C(SSeC)(H)3	S(SeCl)(CH3)2	H(CHHS)	109.4682	0.029	5	109.4682	0.001	5	109.4724	0.001	9	108.5095	2.770	35	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:1:1:1:	3:3:4:	4:	S-3:F-1:F-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(SC[6a]2)(F)2(H)	S(C[6a]C[6a]2)2(CFFH)	H(CFFS)	C(SC[6a]2)(F)2(H)	S(C[6a]C[6a]2)2(CFFH)	H(CFFS)	111.2730	0.000	1	111.2730	0.000	1	111.2730	0.000	1	109.2512	1.930	20	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:1:1:1:	3:3:4:	4:	S-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(SC[6a]2)(H)3	S(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CH3)	H(CHHS)	C(SC[6a]2)(H)3	S(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CH3)	H(CHHS)	109.4801	0.033	16	109.4801	0.001	16	109.1448	1.798	19	109.2512	1.930	20	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:1:1:1:	3:3:4:	4:	S-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(SC[6a]2)(H)3	S(C[6a]C[6a]2)2(CH3)	H(CHHS)	C(SC[6a]2)(H)3	S(C[6a]C[6a]2)2(CH3)	H(CHHS)	107.3570	3.237	3	107.3570	10.480	3	109.1448	1.798	19	109.2512	1.930	20	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:1:1:1:	3:4:1:	4:	S-3:Cl-1:H-1:H-1:	C[6a]-3:C-4:O-1:	C-4:	C(SC[6a]O)(Cl)(H)2	S(C[6a]C[6a]2)(CClHH)(O)	H(CClHS)	C(SC[6a]O)(Cl)(H)2	S(C[6a]C[6a]2)(CClHH)(O)	H(CClHS)	108.7497	1.922	3	108.7497	3.693	3	108.7497	3.693	3	109.3938	0.366	291	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:1:1:1:	3:4:1:	4:	S-3:F-1:F-1:H-1:	C[6a]-3:C-4:O-1:	C-4:	C(SC[6a]O)(F)2(H)	S(C[6a]C[6a]2)(CFFH)(O)	H(CFFS)	C(SC[6a]O)(F)2(H)	S(C[6a]C[6a]2)(CFFH)(O)	H(CFFS)	111.4950	0.000	1	111.4950	0.000	1	111.4950	0.000	1	109.3938	0.366	291	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:1:1:1:	3:4:1:	4:	S-3:H-1:H-1:H-1:	C-3:C-4:O-1:	C-4:	C(SCO)(H)3	S(CC[6a]C)(CH3)(O)	H(CHHS)	C(SCO)(H)3	S(CC[6a]C)(CH3)(O)	H(CHHS)	106.8320	1.860	3	106.8320	3.461	3	106.8320	3.461	3	109.3938	0.366	291	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:1:1:1:	3:4:1:	4:	S-3:H-1:H-1:H-1:	C[5a]-3:C-4:O-1:	C-4:	C(SC[5a]O)(H)3	S(C[5a]C[5a,6a]C[5a])(CH3)(O)	H(CHHS)	C(SC[5a]O)(H)3	S(C[5a]C[5a,6a]C[5a])(CH3)(O)	H(CHHS)	109.4688	0.028	215	109.4688	0.001	215	109.4684	0.004	223	109.3938	0.366	291	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:1:1:1:	3:4:1:	4:	S-3:H-1:H-1:H-1:	C[5a]-3:C-4:O-1:	C-4:	C(SC[5a]O)(H)3	S(C[5a]C[5a]N[5a])(CH3)(O)	H(CHHS)	C(SC[5a]O)(H)3	S(C[5a]C[5a]N[5a])(CH3)(O)	H(CHHS)	109.4510	0.012	3	109.4510	0.000	3	109.4684	0.004	223	109.3938	0.366	291	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:1:1:1:	3:4:1:	4:	S-3:H-1:H-1:H-1:	C[5a]-3:C-4:O-1:	C-4:	C(SC[5a]O)(H)3	S(C[5a]N[5a]2)(CH3)(O)	H(CHHS)	C(SC[5a]O)(H)3	S(C[5a]N[5a]2)(CH3)(O)	H(CHHS)	109.4624	0.430	5	109.4624	0.185	5	109.4684	0.004	223	109.3938	0.366	291	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:1:1:1:	3:4:1:	4:	S-3:H-1:H-1:H-1:	C[6a]-3:C-4:O-1:	C-4:	C(SC[6a]O)(H)3	S(C[6a]C[6a,6a]C[6a])(CH3)(O)	H(CHHS)	C(SC[6a]O)(H)3	S(C[6a]C[6a,6a]C[6a])(CH3)(O)	H(CHHS)	109.4725	0.028	10	109.4725	0.001	10	109.2365	1.084	59	109.3938	0.366	291	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:1:1:1:	3:4:1:	4:	S-3:H-1:H-1:H-1:	C[6a]-3:C-4:O-1:	C-4:	C(SC[6a]O)(H)3	S(C[6a]C[6a]2)(CH3)(O)	H(CHHS)	C(SC[6a]O)(H)3	S(C[6a]C[6a]2)(CH3)(O)	H(CHHS)	109.0832	1.337	35	109.0832	1.788	35	109.2365	1.084	59	109.3938	0.366	291	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:1:1:1:	3:4:1:	4:	S-3:H-1:H-1:H-1:	C[6a]-3:C-4:O-1:	C-4:	C(SC[6a]O)(H)3	S(C[6a]C[6a]N[6a])(CH3)(O)	H(CHHS)	C(SC[6a]O)(H)3	S(C[6a]C[6a]N[6a])(CH3)(O)	H(CHHS)	109.4511	0.032	14	109.4511	0.001	14	109.2365	1.084	59	109.3938	0.366	291	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:1:1:1:	3:4:1:	4:	S-3:H-1:H-1:H-1:	N[5]-3:C-4:O-1:	C-4:	C(SN[5]O)(H)3	S(N[5]C[5]2)(CH3)(O)	H(CHHS)	C(SN[5]O)(H)3	S(N[5]C[5]2)(CH3)(O)	H(CHHS)	109.4650	0.017	2	109.4650	0.000	2	109.4650	0.000	2	109.3938	0.366	291	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:1:1:1:	3:4:2:	4:	S-3:H-1:H-1:H-1:	C[6a]-3:C-4:N-2:	C-4:	C(SC[6a]N)(H)3	S(C[6a]C[6a,6a]C[6a])(CH3)(NS)	H(CHHS)	C(SC[6a]N)(H)3	S(C[6a]C[6a,6a]C[6a])(CH3)(NS)	H(CHHS)	109.4743	0.046	3	109.4743	0.002	3	109.4743	0.002	3	109.4594	0.002	8	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:1:1:1:	3:4:2:	4:	S-3:H-1:H-1:H-1:	C[6a]-3:C-4:O-2:	C-4:	C(SC[6a]O)(H)3	S(C[6a]C[6a]2)(CH3)(OMn)	H(CHHS)	C(SC[6a]O)(H)3	S(C[6a]C[6a]2)(CH3)(OMn)	H(CHHS)	109.4537	0.053	3	109.4537	0.003	3	109.4537	0.003	3	109.4594	0.002	8	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:1:1:1:	3:4:2:	4:	S-3:H-1:H-1:H-1:	N[5]-3:C-4:N-2:	C-4:	C(SN[5]N)(H)3	S(N[5]C[5,5]C[5])(CH3)(NS)	H(CHHS)	C(SN[5]N)(H)3	S(N[5]C[5,5]C[5])(CH3)(NS)	H(CHHS)	109.4455	0.037	2	109.4455	0.001	2	109.4455	0.001	2	109.4594	0.002	8	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:1:1:1:	3:4:4:	4:	S-3:Cl-1:H-1:H-1:	C[6a]-3:C-4:C-4:	C-4:	C(SC[6a]C)(Cl)(H)2	S(C[6a]C[6a]2)(CClHH)(CH3)	H(CClHS)	C(SC[6a]C)(Cl)(H)2	S(C[6a]C[6a]2)(CClHH)(CH3)	H(CClHS)	109.3700	0.913	4	109.3700	0.834	4	109.3700	0.834	4	109.4511	0.063	105	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:1:1:1:	3:4:4:	4:	S-3:H-1:H-1:H-1:	C-3:C-4:C-4:	C-4:	C(SCC)(H)3	S(CC[6a]C)(CH3)2	H(CHHS)	C(SCC)(H)3	S(CC[6a]C)(CH3)2	H(CHHS)	109.3457	0.563	12	109.3457	0.317	12	109.3457	0.317	12	109.4511	0.063	105	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:1:1:1:	3:4:4:	4:	S-3:H-1:H-1:H-1:	C[5]-3:C-4:C-4:	C-4:	C(SC[5]C)(H)3	S(C[5]C[5]2)(CH3)2	H(CHHS)	C(SC[5]C)(H)3	S(C[5]C[5]2)(CH3)2	H(CHHS)	109.4648	0.024	16	109.4648	0.001	16	109.4648	0.001	16	109.4511	0.063	105	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:1:1:1:	3:4:4:	4:	S-3:H-1:H-1:H-1:	C[6]-3:C-4:C-4:	C-4:	C(SC[6]C)(H)3	S(C[6]C[6]2)(CH3)2	H(CHHS)	C(SC[6]C)(H)3	S(C[6]C[6]2)(CH3)2	H(CHHS)	109.4724	0.030	11	109.4724	0.001	11	109.4724	0.001	11	109.4511	0.063	105	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:1:1:1:	3:4:4:	4:	S-3:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:	C-4:	C(SC[6a]C)(H)3	S(C[6a]C[6a,6a]C[6a])(CH3)2	H(CHHS)	C(SC[6a]C)(H)3	S(C[6a]C[6a,6a]C[6a])(CH3)2	H(CHHS)	109.4914	0.049	8	109.4914	0.002	8	109.4695	0.006	62	109.4511	0.063	105	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:1:1:1:	3:4:4:	4:	S-3:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:	C-4:	C(SC[6a]C)(H)3	S(C[6a]C[6a]2)(CCHH)(CH3)	H(CHHS)	C(SC[6a]C)(H)3	S(C[6a]C[6a]2)(CCHH)(CH3)	H(CHHS)	109.4888	0.054	5	109.4888	0.003	5	109.4695	0.006	62	109.4511	0.063	105	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:1:1:1:	3:4:4:	4:	S-3:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:	C-4:	C(SC[6a]C)(H)3	S(C[6a]C[6a]2)(CClHH)(CH3)	H(CHHS)	C(SC[6a]C)(H)3	S(C[6a]C[6a]2)(CClHH)(CH3)	H(CHHS)	109.4740	0.024	5	109.4740	0.001	5	109.4695	0.006	62	109.4511	0.063	105	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:1:1:1:	3:4:4:	4:	S-3:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:	C-4:	C(SC[6a]C)(H)3	S(C[6a]C[6a]2)(CH3)2	H(CHHS)	C(SC[6a]C)(H)3	S(C[6a]C[6a]2)(CH3)2	H(CHHS)	109.4627	0.086	44	109.4627	0.007	44	109.4695	0.006	62	109.4511	0.063	105	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:1:1:1:	4:3:1:	4:	S-3:H-1:H-1:H-1:	C-4:C-3:O-1:	C-4:	C(SCO)(H)3	S(CH3)(CCH)(O)	H(CHHS)	C(SCO)(H)3	S(CH3)(CCH)(O)	H(CHHS)	109.4370	0.014	3	109.4370	0.000	3	108.9767	1.197	9	108.9767	1.197	9	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:1:1:1:	4:3:1:	4:	S-3:H-1:H-1:H-1:	C-4:C-3:O-1:	C-4:	C(SCO)(H)3	S(CH3)(CCS)(O)	H(CHHS)	C(SCO)(H)3	S(CH3)(CCS)(O)	H(CHHS)	109.4507	0.093	3	109.4507	0.009	3	108.9767	1.197	9	108.9767	1.197	9	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:1:1:1:	4:3:1:	4:	S-3:H-1:H-1:H-1:	C-4:C-3:O-1:	C-4:	C(SCO)(H)3	S(CH3)(CHH)(O)	H(CHHS)	C(SCO)(H)3	S(CH3)(CHH)(O)	H(CHHS)	108.0423	1.678	3	108.0423	2.815	3	108.9767	1.197	9	108.9767	1.197	9	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:1:1:1:	4:3:2:	4:	S-3:H-1:H-1:H-1:	C-4:N-3:N-2:	C-4:	C(SNN)(H)3	S(CH3)(NCH)(NC)	H(CHHS)	C(SNN)(H)3	S(CH3)(NCH)(NC)	H(CHHS)	107.3813	1.718	3	107.3813	2.952	3	107.3813	2.952	3	107.3813	2.952	3	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:1:1:1:	4:4:1:	4:	S-3:H-1:H-1:H-1:	C-4:C-4:H-1:	C-4:	C(SCH)(H)3	S(CC[6a]HH)(CH3)(H)	H(CHHS)	C(SCH)(H)3	S(CC[6a]HH)(CH3)(H)	H(CHHS)	109.4860	0.045	2	109.4860	0.002	2	109.4694	0.002	9	109.3504	0.577	3643	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:1:1:1:	4:4:1:	4:	S-3:H-1:H-1:H-1:	C-4:C-4:H-1:	C-4:	C(SCH)(H)3	S(CH3)2(H)	H(CHHS)	C(SCH)(H)3	S(CH3)2(H)	H(CHHS)	109.4647	0.042	7	109.4647	0.002	7	109.4694	0.002	9	109.3504	0.577	3643	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:1:1:1:	4:4:1:	4:	S-3:H-1:H-1:H-1:	C-4:C-4:O-1:	C-4:	C(SCO)(H)3	S(CCHH)(CH3)(O)	H(CHHS)	C(SCO)(H)3	S(CCHH)(CH3)(O)	H(CHHS)	109.4787	0.024	3	109.4787	0.001	3	109.3496	0.581	3618	109.3504	0.577	3643	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:1:1:1:	4:4:1:	4:	S-3:H-1:H-1:H-1:	C-4:C-4:O-1:	C-4:	C(SCO)(H)3	S(CC[6]HH)(CH3)(O)	H(CHHS)	C(SCO)(H)3	S(CC[6]HH)(CH3)(O)	H(CHHS)	108.9340	3.926	3	108.9340	15.413	3	109.3496	0.581	3618	109.3504	0.577	3643	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:1:1:1:	4:4:1:	4:	S-3:H-1:H-1:H-1:	C-4:C-4:O-1:	C-4:	C(SCO)(H)3	S(CH3)2(O)	H(CHHS)	C(SCO)(H)3	S(CH3)2(O)	H(CHHS)	109.3498	0.757	3612	109.3498	0.573	3612	109.3496	0.581	3618	109.3504	0.577	3643	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:1:1:1:	4:4:1:	4:	S-3:H-1:H-1:H-1:	C-4:C-4:Se-1:	C-4:	C(SSeC)(H)3	S(CCHH)(CH3)(Se)	H(CHHS)	C(SSeC)(H)3	S(CCHH)(CH3)(Se)	H(CHHS)	109.4723	0.030	3	109.4723	0.001	3	109.4723	0.001	3	109.3504	0.577	3643	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:1:1:1:	4:4:1:	4:	S-3:H-1:H-1:H-1:	C[5,5]-4:C-4:O-1:	C-4:	C(SC[5,5]O)(H)3	S(C[5,5]C[5,5]C[5]S[5])(CH3)(O)	H(CHHS)	C(SC[5,5]O)(H)3	S(C[5,5]C[5,5]C[5]S[5])(CH3)(O)	H(CHHS)	109.4718	0.020	5	109.4718	0.000	5	109.4679	0.000	8	109.3504	0.577	3643	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:1:1:1:	4:4:1:	4:	S-3:H-1:H-1:H-1:	C[5,5]-4:C-4:O-1:	C-4:	C(SC[5,5]O)(H)3	S(C[5,5]C[5,5]N[5]S[5])(CH3)(O)	H(CHHS)	C(SC[5,5]O)(H)3	S(C[5,5]C[5,5]N[5]S[5])(CH3)(O)	H(CHHS)	109.4613	0.026	3	109.4613	0.001	3	109.4679	0.000	8	109.3504	0.577	3643	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:1:1:1:	4:4:1:	4:	S-3:H-1:H-1:H-1:	C[6]-4:C-4:O-1:	C-4:	C(SC[6]O)(H)3	S(C[6]C[6]2C)(CH3)(O)	H(CHHS)	C(SC[6]O)(H)3	S(C[6]C[6]2C)(CH3)(O)	H(CHHS)	109.4600	0.031	3	109.4600	0.001	3	109.4482	0.001	5	109.3504	0.577	3643	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:1:1:1:	4:4:1:	4:	S-3:H-1:H-1:H-1:	C[6]-4:C-4:O-1:	C-4:	C(SC[6]O)(H)3	S(C[6]N[5,6]C[6]H)(CH3)(O)	H(CHHS)	C(SC[6]O)(H)3	S(C[6]N[5,6]C[6]H)(CH3)(O)	H(CHHS)	109.4305	0.030	2	109.4305	0.001	2	109.4482	0.001	5	109.3504	0.577	3643	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:1:1:1:	4:4:2:	4:	S-3:H-1:H-1:H-1:	C-4:C-4:N-2:	C-4:	C(SCN)(H)3	S(CC3)(CH3)(NC)	H(CHHS)	C(SCN)(H)3	S(CC3)(CH3)(NC)	H(CHHS)	109.4497	0.020	3	109.4497	0.000	3	109.4497	0.000	3	109.4331	0.269	209	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:1:1:1:	4:4:2:	4:	S-3:H-1:H-1:H-1:	C-4:C-4:O-2:	C-4:	C(SCO)(H)3	S(CH3)2(OGa)	H(CHHS)	C(SCO)(H)3	S(CH3)2(OGa)	H(CHHS)	109.4660	0.038	6	109.4660	0.001	6	109.4329	0.272	206	109.4331	0.269	209	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:1:1:1:	4:4:2:	4:	S-3:H-1:H-1:H-1:	C-4:C-4:O-2:	C-4:	C(SCO)(H)3	S(CH3)2(OH)	H(CHHS)	C(SCO)(H)3	S(CH3)2(OH)	H(CHHS)	108.7828	2.246	11	108.7828	5.045	11	109.4329	0.272	206	109.4331	0.269	209	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:1:1:1:	4:4:2:	4:	S-3:H-1:H-1:H-1:	C-4:C-4:O-2:	C-4:	C(SCO)(H)3	S(CH3)2(OIn)	H(CHHS)	C(SCO)(H)3	S(CH3)2(OIn)	H(CHHS)	109.4594	0.035	19	109.4594	0.001	19	109.4329	0.272	206	109.4331	0.269	209	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:1:1:1:	4:4:2:	4:	S-3:H-1:H-1:H-1:	C-4:C-4:O-2:	C-4:	C(SCO)(H)3	S(CH3)2(OMn)	H(CHHS)	C(SCO)(H)3	S(CH3)2(OMn)	H(CHHS)	109.4674	0.041	49	109.4674	0.002	49	109.4329	0.272	206	109.4331	0.269	209	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:1:1:1:	4:4:2:	4:	S-3:H-1:H-1:H-1:	C-4:C-4:O-2:	C-4:	C(SCO)(H)3	S(CH3)2(OMo)	H(CHHS)	C(SCO)(H)3	S(CH3)2(OMo)	H(CHHS)	109.4672	0.042	23	109.4672	0.002	23	109.4329	0.272	206	109.4331	0.269	209	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:1:1:1:	4:4:2:	4:	S-3:H-1:H-1:H-1:	C-4:C-4:O-2:	C-4:	C(SCO)(H)3	S(CH3)2(ONi)	H(CHHS)	C(SCO)(H)3	S(CH3)2(ONi)	H(CHHS)	109.4700	0.032	4	109.4700	0.001	4	109.4329	0.272	206	109.4331	0.269	209	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:1:1:1:	4:4:2:	4:	S-3:H-1:H-1:H-1:	C-4:C-4:O-2:	C-4:	C(SCO)(H)3	S(CH3)2(OPd)	H(CHHS)	C(SCO)(H)3	S(CH3)2(OPd)	H(CHHS)	109.4835	0.093	27	109.4835	0.009	27	109.4329	0.272	206	109.4331	0.269	209	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:1:1:1:	4:4:2:	4:	S-3:H-1:H-1:H-1:	C-4:C-4:O-2:	C-4:	C(SCO)(H)3	S(CH3)2(ORe)	H(CHHS)	C(SCO)(H)3	S(CH3)2(ORe)	H(CHHS)	109.5085	0.042	8	109.5085	0.002	8	109.4329	0.272	206	109.4331	0.269	209	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:1:1:1:	4:4:2:	4:	S-3:H-1:H-1:H-1:	C-4:C-4:O-2:	C-4:	C(SCO)(H)3	S(CH3)2(ORh)	H(CHHS)	C(SCO)(H)3	S(CH3)2(ORh)	H(CHHS)	109.4750	0.032	6	109.4750	0.001	6	109.4329	0.272	206	109.4331	0.269	209	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:1:1:1:	4:4:2:	4:	S-3:H-1:H-1:H-1:	C-4:C-4:O-2:	C-4:	C(SCO)(H)3	S(CH3)2(OSb)	H(CHHS)	C(SCO)(H)3	S(CH3)2(OSb)	H(CHHS)	109.4642	0.039	5	109.4642	0.002	5	109.4329	0.272	206	109.4331	0.269	209	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:1:1:1:	4:4:2:	4:	S-3:H-1:H-1:H-1:	C-4:C-4:O-2:	C-4:	C(SCO)(H)3	S(CH3)2(OSn)	H(CHHS)	C(SCO)(H)3	S(CH3)2(OSn)	H(CHHS)	109.4599	0.040	39	109.4599	0.002	39	109.4329	0.272	206	109.4331	0.269	209	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:1:1:1:	4:4:2:	4:	S-3:H-1:H-1:H-1:	C-4:C-4:O-2:	C-4:	C(SCO)(H)3	S(CH3)2(OW)	H(CHHS)	C(SCO)(H)3	S(CH3)2(OW)	H(CHHS)	109.4794	0.046	5	109.4794	0.002	5	109.4329	0.272	206	109.4331	0.269	209	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:1:1:1:	4:4:2:	4:	S-3:H-1:H-1:H-1:	C-4:C-4:O-2:	C-4:	C(SCO)(H)3	S(CH3)2(OZn)	H(CHHS)	C(SCO)(H)3	S(CH3)2(OZn)	H(CHHS)	109.4720	0.022	4	109.4720	0.000	4	109.4329	0.272	206	109.4331	0.269	209	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:1:1:1:	4:4:3:	4:	S-3:H-1:H-1:H-1:	C-4:C-4:C-3:	C-4:	C(SCC)(H)3	S(CH3)2(CCN)	H(CHHS)	C(SCC)(H)3	S(CH3)2(CCN)	H(CHHS)	109.4887	0.012	3	109.4887	0.000	3	109.4887	0.000	3	109.4887	0.000	3	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:1:1:1:	4:4:4:	4:	S-3:Cl-1:H-1:H-1:	C-4:C-4:C-4:	C-4:	C(SCC)(Cl)(H)2	S(CClHH)(CH3)2	H(CClHS)	C(SCC)(Cl)(H)2	S(CClHH)(CH3)2	H(CClHS)	109.2955	0.274	2	109.2955	0.075	2	109.2955	0.075	2	109.5097	0.435	255	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:1:1:1:	4:4:4:	4:	S-3:H-1:H-1:H-1:	B-4:C-4:C-4:	C-4:	C(SBC)(H)3	S(BBII)(CH3)2	H(CHHS)	C(SBC)(H)3	S(BBII)(CH3)2	H(CHHS)	109.4690	0.022	4	109.4690	0.000	4	109.4437	0.433	39	109.5097	0.435	255	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:1:1:1:	4:4:4:	4:	S-3:H-1:H-1:H-1:	B-4:C-4:C-4:	C-4:	C(SBC)(H)3	S(BBr2B)(CH3)2	H(CHHS)	C(SBC)(H)3	S(BBr2B)(CH3)2	H(CHHS)	109.4654	0.021	5	109.4654	0.000	5	109.4437	0.433	39	109.5097	0.435	255	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:1:1:1:	4:4:4:	4:	S-3:H-1:H-1:H-1:	B-4:C-4:C-4:	C-4:	C(SBC)(H)3	S(BC[6]HH)(CH3)2	H(CHHS)	C(SBC)(H)3	S(BC[6]HH)(CH3)2	H(CHHS)	109.4935	0.044	4	109.4935	0.002	4	109.4437	0.433	39	109.5097	0.435	255	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:1:1:1:	4:4:4:	4:	S-3:H-1:H-1:H-1:	B-4:C-4:C-4:	C-4:	C(SBC)(H)3	S(BC[6a]3)(CH3)2	H(CHHS)	C(SBC)(H)3	S(BC[6a]3)(CH3)2	H(CHHS)	109.4608	0.040	10	109.4608	0.002	10	109.4437	0.433	39	109.5097	0.435	255	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:1:1:1:	4:4:4:	4:	S-3:H-1:H-1:H-1:	B-4:C-4:C-4:	C-4:	C(SBC)(H)3	S(BC[6a]HH)(CH3)2	H(CHHS)	C(SBC)(H)3	S(BC[6a]HH)(CH3)2	H(CHHS)	109.2983	1.805	6	109.2983	3.257	6	109.4437	0.433	39	109.5097	0.435	255	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:1:1:1:	4:4:4:	4:	S-3:H-1:H-1:H-1:	B-4:C-4:C-4:	C-4:	C(SBC)(H)3	S(BCl2B)(CH3)2	H(CHHS)	C(SBC)(H)3	S(BCl2B)(CH3)2	H(CHHS)	109.4748	0.019	4	109.4748	0.000	4	109.4437	0.433	39	109.5097	0.435	255	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:1:1:1:	4:4:4:	4:	S-3:H-1:H-1:H-1:	B-4:C-4:C-4:	C-4:	C(SBC)(H)3	S(BHHP)(CH3)2	H(CHHS)	C(SBC)(H)3	S(BHHP)(CH3)2	H(CHHS)	109.4720	0.021	6	109.4720	0.000	6	109.4437	0.433	39	109.5097	0.435	255	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:1:1:1:	4:4:4:	4:	S-3:H-1:H-1:H-1:	B[5]-4:C-4:C-4:	C-4:	C(SB[5]C)(H)3	S(B[5]C[6a]C[5]2)(CH3)2	H(CHHS)	C(SB[5]C)(H)3	S(B[5]C[6a]C[5]2)(CH3)2	H(CHHS)	109.4720	0.039	4	109.4720	0.002	4	109.4720	0.002	4	109.5097	0.435	255	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:1:1:1:	4:4:4:	4:	S-3:H-1:H-1:H-1:	B[6]-4:C-4:C-4:	C-4:	C(SB[6]C)(H)3	S(B[6]C[6,6a]2H)(CH3)2	H(CHHS)	C(SB[6]C)(H)3	S(B[6]C[6,6a]2H)(CH3)2	H(CHHS)	109.4724	0.044	11	109.4724	0.002	11	109.4724	0.002	11	109.5097	0.435	255	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:1:1:1:	4:4:4:	4:	S-3:H-1:H-1:H-1:	C-4:C-4:C-4:	C-4:	C(SCC)(H)3	S(CB[6,6]HH)(CH3)2	H(CHHS)	C(SCC)(H)3	S(CB[6,6]HH)(CH3)2	H(CHHS)	109.4632	0.034	16	109.4632	0.001	16	109.5362	0.534	176	109.5097	0.435	255	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:1:1:1:	4:4:4:	4:	S-3:H-1:H-1:H-1:	C-4:C-4:C-4:	C-4:	C(SCC)(H)3	S(CCHH)(CH3)2	H(CHHS)	C(SCC)(H)3	S(CCHH)(CH3)2	H(CHHS)	109.7134	0.540	66	109.7134	0.291	66	109.5362	0.534	176	109.5097	0.435	255	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:1:1:1:	4:4:4:	4:	S-3:H-1:H-1:H-1:	C-4:C-4:C-4:	C-4:	C(SCC)(H)3	S(CClHH)(CH3)2	H(CHHS)	C(SCC)(H)3	S(CClHH)(CH3)2	H(CHHS)	110.9157	0.472	6	110.9157	0.223	6	109.5362	0.534	176	109.5097	0.435	255	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:1:1:1:	4:4:4:	4:	S-3:H-1:H-1:H-1:	C-4:C-4:C-4:	C-4:	C(SCC)(H)3	S(CH3)3	H(CHHS)	C(SCC)(H)3	S(CH3)3	H(CHHS)	109.2941	0.877	73	109.2941	0.769	73	109.5362	0.534	176	109.5097	0.435	255	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:1:1:1:	4:4:4:	4:	S-3:H-1:H-1:H-1:	C-4:C-4:C-4:	C-4:	C(SCC)(H)3	S(CHHS)(CH3)2	H(CHHS)	C(SCC)(H)3	S(CHHS)(CH3)2	H(CHHS)	109.4592	0.066	10	109.4592	0.004	10	109.5362	0.534	176	109.5097	0.435	255	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:1:1:1:	4:4:4:	4:	S-3:H-1:H-1:H-1:	C-4:C-4:C-4:	C-4:	C(SCC)(H)3	S(CPdCH)(CH3)2	H(CHHS)	C(SCC)(H)3	S(CPdCH)(CH3)2	H(CHHS)	109.4642	0.024	5	109.4642	0.001	5	109.5362	0.534	176	109.5097	0.435	255	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:1:1:1:	4:4:4:	4:	S-3:H-1:H-1:H-1:	C-4:Ga-4:C-4:	C-4:	C(SGaC)(H)3	S(CCHH)(GaI3)(CH3)	H(CHHS)	C(SGaC)(H)3	S(CCHH)(GaI3)(CH3)	H(CHHS)	109.4543	0.022	3	109.4543	0.000	3	109.4445	0.001	6	109.5097	0.435	255	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:1:1:1:	4:4:4:	4:	S-3:H-1:H-1:H-1:	C-4:Ga-4:C-4:	C-4:	C(SGaC)(H)3	S(CC[6a]HH)(GaCl3)(CH3)	H(CHHS)	C(SGaC)(H)3	S(CC[6a]HH)(GaCl3)(CH3)	H(CHHS)	109.4347	0.026	3	109.4347	0.001	3	109.4445	0.001	6	109.5097	0.435	255	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:1:1:1:	4:4:4:	4:	S-3:H-1:H-1:H-1:	C[5,6]-4:C-4:C-4:	C-4:	C(SC[5,6]C)(H)3	S(C[5,6]C[5,5,6]C[5,6]H)(CCHH)(CH3)	H(CHHS)	C(SC[5,6]C)(H)3	S(C[5,6]C[5,5,6]C[5,6]H)(CCHH)(CH3)	H(CHHS)	109.4614	0.039	5	109.4614	0.002	5	109.4614	0.002	5	109.5097	0.435	255	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:1:1:1:	4:4:4:	4:	S-3:H-1:H-1:H-1:	C[5]-4:C-4:C-4:	C-4:	C(SC[5]C)(H)3	S(C[5]C[5]2Fe)(CH3)2	H(CHHS)	C(SC[5]C)(H)3	S(C[5]C[5]2Fe)(CH3)2	H(CHHS)	109.4702	0.021	12	109.4702	0.000	12	109.4702	0.000	12	109.5097	0.435	255	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:1:1:1:	4:6:4:	4:	S-3:H-1:H-1:H-1:	C-4:Nb-6:C-4:	C-4:	C(SNbC)(H)3	S(CC[6a]HH)(NbCl5)(CH3)	H(CHHS)	C(SNbC)(H)3	S(CC[6a]HH)(NbCl5)(CH3)	H(CHHS)	109.4300	0.031	4	109.4300	0.001	4	109.4300	0.001	4	109.4300	0.001	4	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:1:1:1:	5:4:4:	4:	S-3:H-1:H-1:H-1:	B[3,3,5,4x6]-5:C-4:C-4:	C-4:	C(SB[3,3,5,4x6]C)(H)3	S(B[3,3,5,4x6]B[4x3,5,5,7x6]2B[5x3,5,5,4x6]H)(CH3)2	H(CHHS)	C(SB[3,3,5,4x6]C)(H)3	S(B[3,3,5,4x6]B[4x3,5,5,7x6]2B[5x3,5,5,4x6]H)(CH3)2	H(CHHS)	109.4867	0.039	9	109.4867	0.002	9	109.4867	0.002	9	109.4730	0.001	60	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:1:1:1:	5:4:4:	4:	S-3:H-1:H-1:H-1:	B[3x3,3x5,12x6]-5:C-4:C-4:	C-4:	C(SB[3x3,3x5,12x6]C)(H)3	S(B[3x3,3x5,12x6]B[4x3,3x5,12x6]2B[5x3,3x5,11x6]2)(CH3)2	H(CHHS)	C(SB[3x3,3x5,12x6]C)(H)3	S(B[3x3,3x5,12x6]B[4x3,3x5,12x6]2B[5x3,3x5,11x6]2)(CH3)2	H(CHHS)	109.4677	0.021	4	109.4677	0.000	4	109.4758	0.001	23	109.4730	0.001	60	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:1:1:1:	5:4:4:	4:	S-3:H-1:H-1:H-1:	B[3x3,3x5,12x6]-5:C-4:C-4:	C-4:	C(SB[3x3,3x5,12x6]C)(H)3	S(B[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(CC[6a]HH)(CH3)	H(CHHS)	C(SB[3x3,3x5,12x6]C)(H)3	S(B[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(CC[6a]HH)(CH3)	H(CHHS)	109.4695	0.032	2	109.4695	0.001	2	109.4758	0.001	23	109.4730	0.001	60	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:1:1:1:	5:4:4:	4:	S-3:H-1:H-1:H-1:	B[3x3,3x5,12x6]-5:C-4:C-4:	C-4:	C(SB[3x3,3x5,12x6]C)(H)3	S(B[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(CH3)2	H(CHHS)	C(SB[3x3,3x5,12x6]C)(H)3	S(B[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(CH3)2	H(CHHS)	109.4784	0.028	17	109.4784	0.001	17	109.4758	0.001	23	109.4730	0.001	60	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:1:1:1:	5:4:4:	4:	S-3:H-1:H-1:H-1:	B[3x3,5,5,6,6]-5:C-4:C-4:	C-4:	C(SB[3x3,5,5,6,6]C)(H)3	S(B[3x3,5,5,6,6]B[4x3,5,5,6,6]B[3x3,5,6]B[5x3,5,5]B[5x3,5,6])(CH3)2	H(CHHS)	C(SB[3x3,5,5,6,6]C)(H)3	S(B[3x3,5,5,6,6]B[4x3,5,5,6,6]B[3x3,5,6]B[5x3,5,5]B[5x3,5,6])(CH3)2	H(CHHS)	109.4497	0.035	4	109.4497	0.001	4	109.4497	0.001	4	109.4730	0.001	60	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:1:1:1:	5:4:4:	4:	S-3:H-1:H-1:H-1:	B[3x3,5,5,9x6]-5:C-4:C-4:	C-4:	C(SB[3x3,5,5,9x6]C)(H)3	S(B[3x3,5,5,9x6]B[3x3,5,5,11x6]B[5x3,3x5,5x6]B[5x3,5,5,7x6]C[3,3,5,5x6])(CH3)2	H(CHHS)	C(SB[3x3,5,5,9x6]C)(H)3	S(B[3x3,5,5,9x6]B[3x3,5,5,11x6]B[5x3,3x5,5x6]B[5x3,5,5,7x6]C[3,3,5,5x6])(CH3)2	H(CHHS)	109.4754	0.030	9	109.4754	0.001	9	109.4754	0.001	9	109.4730	0.001	60	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:1:1:1:	5:4:4:	4:	S-3:H-1:H-1:H-1:	C[3,3,5,5,6,6]-5:C-4:C-4:	C-4:	C(SC[3,3,5,5,6,6]C)(H)3	S(C[3,3,5,5,6,6]B[3x3,5x5,6,6]2B[5x3,5x5]Mn)(CH3)2	H(CHHS)	C(SC[3,3,5,5,6,6]C)(H)3	S(C[3,3,5,5,6,6]B[3x3,5x5,6,6]2B[5x3,5x5]Mn)(CH3)2	H(CHHS)	109.4676	0.037	5	109.4676	0.001	5	109.4676	0.001	5	109.4730	0.001	60	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:1:1:1:	5:4:4:	4:	S-3:H-1:H-1:H-1:	Ge-5:C-4:C-4:	C-4:	C(SGeC)(H)3	S(GeF4)(CCHH)(CH3)	H(CHHS)	C(SGeC)(H)3	S(GeF4)(CCHH)(CH3)	H(CHHS)	109.4770	0.026	3	109.4770	0.001	3	109.4770	0.001	3	109.4730	0.001	60	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:1:1:1:	5:4:4:	4:	S-3:H-1:H-1:H-1:	Nb-5:C-4:C-4:	C-4:	C(SNbC)(H)3	S(NbCl3S)(CH3)2	H(CHHS)	C(SNbC)(H)3	S(NbCl3S)(CH3)2	H(CHHS)	109.4587	0.034	7	109.4587	0.001	7	109.4587	0.001	7	109.4730	0.001	60	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:1:1:1:	6:4:4:	4:	S-3:H-1:H-1:H-1:	B[3]-6:C-4:C-4:	C-4:	C(SB[3]C)(H)3	S(B[3]B[3,3]2Ru2B)(CH3)2	H(CHHS)	C(SB[3]C)(H)3	S(B[3]B[3,3]2Ru2B)(CH3)2	H(CHHS)	108.9430	2.900	6	108.9430	8.412	6	108.9430	8.412	6	109.4521	0.274	162	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:1:1:1:	6:4:4:	4:	S-3:H-1:H-1:H-1:	B[3x3,3x5,12x6]-6:C-4:C-4:	C-4:	C(SB[3x3,3x5,12x6]C)(H)3	S(B[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2Fe)(CH3)2	H(CHHS)	C(SB[3x3,3x5,12x6]C)(H)3	S(B[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2Fe)(CH3)2	H(CHHS)	109.4695	0.026	10	109.4695	0.001	10	109.4750	0.003	109	109.4521	0.274	162	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:1:1:1:	6:4:4:	4:	S-3:H-1:H-1:H-1:	B[3x3,3x5,12x6]-6:C-4:C-4:	C-4:	C(SB[3x3,3x5,12x6]C)(H)3	S(B[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2H)(CH3)2	H(CHHS)	C(SB[3x3,3x5,12x6]C)(H)3	S(B[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2H)(CH3)2	H(CHHS)	109.4656	0.037	18	109.4656	0.001	18	109.4750	0.003	109	109.4521	0.274	162	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:1:1:1:	6:4:4:	4:	S-3:H-1:H-1:H-1:	B[3x3,3x5,12x6]-6:C-4:C-4:	C-4:	C(SB[3x3,3x5,12x6]C)(H)3	S(B[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2Ir)(CH3)2	H(CHHS)	C(SB[3x3,3x5,12x6]C)(H)3	S(B[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2Ir)(CH3)2	H(CHHS)	109.4909	0.041	29	109.4909	0.002	29	109.4750	0.003	109	109.4521	0.274	162	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:1:1:1:	6:4:4:	4:	S-3:H-1:H-1:H-1:	B[3x3,3x5,12x6]-6:C-4:C-4:	C-4:	C(SB[3x3,3x5,12x6]C)(H)3	S(B[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2Rh)(CH3)2	H(CHHS)	C(SB[3x3,3x5,12x6]C)(H)3	S(B[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2Rh)(CH3)2	H(CHHS)	109.4737	0.043	12	109.4737	0.002	12	109.4750	0.003	109	109.4521	0.274	162	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:1:1:1:	6:4:4:	4:	S-3:H-1:H-1:H-1:	B[3x3,3x5,12x6]-6:C-4:C-4:	C-4:	C(SB[3x3,3x5,12x6]C)(H)3	S(B[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]C[5x3,3x5,11x6]Ir)(CH3)2	H(CHHS)	C(SB[3x3,3x5,12x6]C)(H)3	S(B[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]C[5x3,3x5,11x6]Ir)(CH3)2	H(CHHS)	109.4528	0.067	10	109.4528	0.005	10	109.4750	0.003	109	109.4521	0.274	162	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:1:1:1:	6:4:4:	4:	S-3:H-1:H-1:H-1:	B[3x3,3x5,12x6]-6:C-4:C-4:	C-4:	C(SB[3x3,3x5,12x6]C)(H)3	S(B[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]Fe)(CH3)2	H(CHHS)	C(SB[3x3,3x5,12x6]C)(H)3	S(B[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]Fe)(CH3)2	H(CHHS)	109.4968	0.051	6	109.4968	0.003	6	109.4750	0.003	109	109.4521	0.274	162	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:1:1:1:	6:4:4:	4:	S-3:H-1:H-1:H-1:	B[3x3,3x5,12x6]-6:C-4:C-4:	C-4:	C(SB[3x3,3x5,12x6]C)(H)3	S(B[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]Mo)(CH3)2	H(CHHS)	C(SB[3x3,3x5,12x6]C)(H)3	S(B[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]Mo)(CH3)2	H(CHHS)	109.4469	0.112	12	109.4469	0.013	12	109.4750	0.003	109	109.4521	0.274	162	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:1:1:1:	6:4:4:	4:	S-3:H-1:H-1:H-1:	B[3x3,3x5,12x6]-6:C-4:C-4:	C-4:	C(SB[3x3,3x5,12x6]C)(H)3	S(B[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]Pd)(CH3)2	H(CHHS)	C(SB[3x3,3x5,12x6]C)(H)3	S(B[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]Pd)(CH3)2	H(CHHS)	109.5040	0.061	9	109.5040	0.004	9	109.4750	0.003	109	109.4521	0.274	162	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:1:1:1:	6:4:4:	4:	S-3:H-1:H-1:H-1:	B[3x3,3x5,12x6]-6:C-4:C-4:	C-4:	C(SB[3x3,3x5,12x6]C)(H)3	S(B[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]Ru)(CH3)2	H(CHHS)	C(SB[3x3,3x5,12x6]C)(H)3	S(B[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]Ru)(CH3)2	H(CHHS)	109.4593	0.036	3	109.4593	0.001	3	109.4750	0.003	109	109.4521	0.274	162	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:1:1:1:	6:4:4:	4:	S-3:H-1:H-1:H-1:	B[4x3,3x5,12x6]-6:C-4:C-4:	C-4:	C(SB[4x3,3x5,12x6]C)(H)3	S(B[4x3,3x5,12x6]B[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2H[3])(CH3)2	H(CHHS)	C(SB[4x3,3x5,12x6]C)(H)3	S(B[4x3,3x5,12x6]B[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2H[3])(CH3)2	H(CHHS)	109.4800	0.053	5	109.4800	0.003	5	109.4800	0.003	5	109.4521	0.274	162	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:1:1:1:	6:4:4:	4:	S-3:H-1:H-1:H-1:	B[5x3,5x5,20x6]-6:C-4:C-4:	C-4:	C(SB[5x3,5x5,20x6]C)(H)3	S(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(CH3)2	H(CHHS)	C(SB[5x3,5x5,20x6]C)(H)3	S(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(CH3)2	H(CHHS)	109.4653	0.037	32	109.4653	0.001	32	109.4653	0.001	32	109.4521	0.274	162	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:1:1:1:	6:4:4:	4:	S-3:H-1:H-1:H-1:	C[5x3,3x5,11x6]-6:C-4:C-4:	C-4:	C(SC[5x3,3x5,11x6]C)(H)3	S(C[5x3,3x5,11x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2B[5x3,5x5,5x6])(CH3)2	H(CHHS)	C(SC[5x3,3x5,11x6]C)(H)3	S(C[5x3,3x5,11x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2B[5x3,5x5,5x6])(CH3)2	H(CHHS)	109.4516	0.028	10	109.4516	0.001	10	109.4516	0.001	10	109.4521	0.274	162	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:1:1:1:	7:4:4:	4:	S-3:H-1:H-1:H-1:	Nb[3,3]-7:C-4:C-4:	C-4:	C(SNb[3,3]C)(H)3	S(Nb[3,3]Nb[3,3]Cl[3]2Cl3)(CH3)2	H(CHHS)	C(SNb[3,3]C)(H)3	S(Nb[3,3]Nb[3,3]Cl[3]2Cl3)(CH3)2	H(CHHS)	109.4870	0.036	4	109.4870	0.001	4	109.4870	0.001	4	109.4802	0.001	11	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:1:1:1:	7:4:4:	4:	S-3:H-1:H-1:H-1:	Nb[3x3]-7:C-4:C-4:	C-4:	C(SNb[3x3]C)(H)3	S(Nb[3x3]Nb[3x3]Cl[3]2S[3]Cl2)(CH3)2	H(CHHS)	C(SNb[3x3]C)(H)3	S(Nb[3x3]Nb[3x3]Cl[3]2S[3]Cl2)(CH3)2	H(CHHS)	109.4763	0.034	7	109.4763	0.001	7	109.4763	0.001	7	109.4802	0.001	11	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:1:1:1:	8:4:4:	4:	S-3:H-1:H-1:H-1:	Nb-8:C-4:C-4:	C-4:	C(SNbC)(H)3	S(NbF4S3)(CH3)2	H(CHHS)	C(SNbC)(H)3	S(NbF4S3)(CH3)2	H(CHHS)	109.5044	0.023	5	109.5044	0.001	5	109.5044	0.001	5	109.5044	0.001	5	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:2:1:1:	3:4:1:	4:	S-3:C-2:H-1:H-1:	C[6a]-3:C-4:O-1:	C-4:	C(SC[6a]O)(CC)(H)2	S(C[6a]C[6a]2)(CCHH)(O)	H(CCHS)	C(SC[6a]O)(CC)(H)2	S(C[6a]C[6a]2)(CCHH)(O)	H(CCHS)	108.8525	0.046	2	108.8525	0.002	2	109.0635	0.060	4	109.0635	0.060	4	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:2:1:1:	3:4:1:	4:	S-3:C-2:H-1:H-1:	C[6a]-3:C-4:O-1:	C-4:	C(SC[6a]O)(CN)(H)2	S(C[6a]C[6a]2)(CCHH)(O)	H(CCHS)	C(SC[6a]O)(CN)(H)2	S(C[6a]C[6a]2)(CCHH)(O)	H(CCHS)	109.2745	0.022	2	109.2745	0.000	2	109.0635	0.060	4	109.0635	0.060	4	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:2:1:1:	4:1:1:	4:	S-3:C-2:H-1:H-1:	C-4:C-1:C-1:	C-4:	C(SCC)(CC)(H)2	S(CCHH)(C)2	H(CCHS)	C(SCC)(CC)(H)2	S(CCHH)(C)2	H(CCHS)	109.2527	0.388	4	109.2527	0.151	4	109.2527	0.151	4	109.2527	0.151	4	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:2:1:1:	4:4:1:	4:	S-3:S-2:H-1:H-1:	C-4:C-4:O-1:	C-4:	C(SCO)(SC)(H)2	S(CCHH)(CHHS)(O)	H(CHSS)	C(SCO)(SC)(H)2	S(CCHH)(CHHS)(O)	H(CHSS)	109.2575	0.009	2	109.2575	0.000	2	109.2575	0.000	2	109.2575	0.000	2	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:2:1:1:	4:4:4:	4:	S-3:S-2:H-1:H-1:	C-4:C-4:C-4:	C-4:	C(SCC)(SC)(H)2	S(CHHS)(CH3)2	H(CHSS)	C(SCC)(SC)(H)2	S(CHHS)(CH3)2	H(CHSS)	109.4753	0.029	4	109.4753	0.001	4	109.4753	0.001	4	109.4753	0.001	4	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:2:3:1:	4:4:1:	4:	C-3:Se-2:S-3:H-1:	C-4:C-4:O-1:	C-4:	C(CC[6a]O)(SeC[6a])(SCO)(H)	S(CSeCH)(CCHH)(O)	H(CSeCS)	C(CC[6a]O)(SeC[6a])(SCO)(H)	S(CSeCH)(CCHH)(O)	H(CSeCS)	108.9810	0.000	1	108.9810	0.000	1	108.9810	0.000	1	108.9810	0.000	1	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:3:1:1:	3:4:1:	4:	C-3:S-3:H-1:H-1:	C[6a]-3:C-4:O-1:	C-4:	C(CC[6a]O)(SC[6a]O)(H)2	S(C[6a]C[6a]2)(CCHH)(O)	H(CCHS)	C(CC[6a]O)(SC[6a]O)(H)2	S(C[6a]C[6a]2)(CCHH)(O)	H(CCHS)	110.2360	0.035	2	110.2360	0.001	2	110.2360	0.001	2	109.4369	1.937	67	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:3:1:1:	3:4:1:	4:	C[6]-3:S-3:H-1:H-1:	C[6a]-3:C-4:O-1:	C-4:	C(C[6]C[6]2)(SC[6a]O)(H)2	S(C[6a]C[6a]2)(CC[6]HH)(O)	H(CC[6]HS)	C(C[6]C[6]2)(SC[6a]O)(H)2	S(C[6a]C[6a]2)(CC[6]HH)(O)	H(CC[6]HS)	108.3865	0.964	4	108.3865	0.929	4	108.3865	0.929	4	109.4369	1.937	67	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:3:1:1:	3:4:1:	4:	C[6a]-3:S-3:H-1:H-1:	C[5a]-3:C-4:O-1:	C-4:	C(C[6a]C[6a]N[6a])(SC[5a]O)(H)2	S(C[5a]N[5a]2)(CC[6a]HH)(O)	H(CC[6a]HS)	C(C[6a]C[6a]N[6a])(SC[5a]O)(H)2	S(C[5a]N[5a]2)(CC[6a]HH)(O)	H(CC[6a]HS)	109.2701	1.490	10	109.2701	2.219	10	109.2701	2.219	10	109.4369	1.937	67	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:3:1:1:	3:4:1:	4:	C[6a]-3:S-3:H-1:H-1:	C[6]-3:C-4:O-1:	C-4:	C(C[6a]C[6a]2)(SC[6]O)(H)2	S(C[6]C[6]2)(CC[6a]HH)(O)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC[6]O)(H)2	S(C[6]C[6]2)(CC[6a]HH)(O)	H(CC[6a]HS)	104.8440	3.264	2	104.8440	10.654	2	104.8440	10.654	2	109.4369	1.937	67	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:3:1:1:	3:4:1:	4:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:C-4:O-1:	C-4:	C(C[6a]C[6a]2)(SC[6a]O)(H)2	S(C[6a]C[6a]2)(CC[6a]HH)(O)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC[6a]O)(H)2	S(C[6a]C[6a]2)(CC[6a]HH)(O)	H(CC[6a]HS)	109.8119	0.494	16	109.8119	0.244	16	109.8119	0.244	16	109.4369	1.937	67	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:3:1:1:	3:4:1:	4:	N[5]-3:S-3:H-1:H-1:	C[6a]-3:C-4:O-1:	C-4:	C(N[5]C[5]2)(SC[6a]O)(H)2	S(C[6a]C[6a]2)(CN[5]HH)(O)	H(CN[5]HS)	C(N[5]C[5]2)(SC[6a]O)(H)2	S(C[6a]C[6a]2)(CN[5]HH)(O)	H(CN[5]HS)	109.4313	0.606	4	109.4313	0.367	4	109.4313	0.367	4	109.4369	1.937	67	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:3:1:1:	3:4:1:	4:	S-3:C-3:H-1:H-1:	C[5a]-3:C-4:O-1:	C-4:	C(SC[5a]O)(CCH)(H)2	S(C[5a]C[5a,6a]C[5a])(CCHH)(O)	H(CCHS)	C(SC[5a]O)(CCH)(H)2	S(C[5a]C[5a,6a]C[5a])(CCHH)(O)	H(CCHS)	109.3004	0.465	5	109.3004	0.216	5	109.3004	0.216	5	109.4369	1.937	67	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:3:1:1:	3:4:1:	4:	S-3:C-3:H-1:H-1:	C[6a]-3:C-4:O-1:	C-4:	C(SC[6a]O)(CC[5]O)(H)2	S(C[6a]C[6a]2)(CCHH)(O)	H(CCHS)	C(SC[6a]O)(CC[5]O)(H)2	S(C[6a]C[6a]2)(CCHH)(O)	H(CCHS)	109.4490	0.122	2	109.4490	0.015	2	109.8688	0.110	15	109.4369	1.937	67	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:3:1:1:	3:4:1:	4:	S-3:C-3:H-1:H-1:	C[6a]-3:C-4:O-1:	C-4:	C(SC[6a]O)(CNO)(H)2	S(C[6a]C[6a]2)(CCHH)(O)	H(CCHS)	C(SC[6a]O)(CNO)(H)2	S(C[6a]C[6a]2)(CCHH)(O)	H(CCHS)	109.7354	0.426	5	109.7354	0.182	5	109.8688	0.110	15	109.4369	1.937	67	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:3:1:1:	3:4:1:	4:	S-3:C-3:H-1:H-1:	C[6a]-3:C-4:O-1:	C-4:	C(SC[6a]O)(CN[5]O)(H)2	S(C[6a]C[6a]2)(CCHH)(O)	H(CCHS)	C(SC[6a]O)(CN[5]O)(H)2	S(C[6a]C[6a]2)(CCHH)(O)	H(CCHS)	109.9645	0.028	2	109.9645	0.001	2	109.8688	0.110	15	109.4369	1.937	67	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:3:1:1:	3:4:1:	4:	S-3:C-3:H-1:H-1:	C[6a]-3:C-4:O-1:	C-4:	C(SC[6a]O)(COO)(H)2	S(C[6a]C[6a]2)(CCHH)(O)	H(CCHS)	C(SC[6a]O)(COO)(H)2	S(C[6a]C[6a]2)(CCHH)(O)	H(CCHS)	110.0880	0.104	6	110.0880	0.011	6	109.8688	0.110	15	109.4369	1.937	67	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:3:1:1:	3:4:1:	4:	S-3:S-3:H-1:H-1:	C[6a]-3:C-4:O-1:	C-4:	C(SC[6a]O)2(H)2	S(C[6a]C[6a]2)(CHHS)(O)	H(CHSS)	C(SC[6a]O)2(H)2	S(C[6a]C[6a]2)(CHHS)(O)	H(CHSS)	109.6236	2.050	9	109.6236	4.204	9	109.6236	4.204	9	109.4369	1.937	67	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:3:1:1:	3:4:2:	4:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:C-4:N-2:	C-4:	C(C[6a]C[6a]2)(SC[6a]N)(H)2	S(C[6a]C[6a]2)(CC[6a]HH)(NC)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC[6a]N)(H)2	S(C[6a]C[6a]2)(CC[6a]HH)(NC)	H(CC[6a]HS)	109.3493	0.034	12	109.3493	0.001	12	109.4848	0.020	24	109.3280	0.177	28	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:3:1:1:	3:4:2:	4:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:C-4:N-2:	C-4:	C(C[6a]C[6a]2)(SC[6a]N)(H)2	S(C[6a]C[6a]2)(CC[6a]HH)(NS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC[6a]N)(H)2	S(C[6a]C[6a]2)(CC[6a]HH)(NS)	H(CC[6a]HS)	109.6203	0.019	12	109.6203	0.000	12	109.4848	0.020	24	109.3280	0.177	28	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:3:1:1:	3:4:2:	4:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:C-4:O-2:	C-4:	C(C[6a]C[6a]2)(SC[6a]O)(H)2	S(C[6a]C[6a]2)(CC[6a]HH)(OSn)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC[6a]O)(H)2	S(C[6a]C[6a]2)(CC[6a]HH)(OSn)	H(CC[6a]HS)	108.3868	0.247	4	108.3868	0.061	4	108.3868	0.061	4	109.3280	0.177	28	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:3:1:1:	4:3:1:	4:	C[6]-3:S-3:H-1:H-1:	C-4:C-3:O-1:	C-4:	C(C[6]C[6]2)(SCO)(H)2	S(CC[6]HH)(CC[6a]C)(O)	H(CC[6]HS)	C(C[6]C[6]2)(SCO)(H)2	S(CC[6]HH)(CC[6a]C)(O)	H(CC[6]HS)	103.6485	5.145	4	103.6485	26.472	4	103.6485	26.472	4	106.1363	17.640	13	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:3:1:1:	4:3:1:	4:	C[6a]-3:S-3:H-1:H-1:	C-4:C-3:O-1:	C-4:	C(C[6a]C[6a]2)(SCO)(H)2	S(CC[6a]HH)(CC[6a]C)(O)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SCO)(H)2	S(CC[6a]HH)(CC[6a]C)(O)	H(CC[6a]HS)	105.2040	4.707	4	105.2040	22.157	4	105.2040	22.157	4	106.1363	17.640	13	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:3:1:1:	4:3:1:	4:	C[6a]-3:S-3:H-1:H-1:	C-4:N-3:O-1:	C-4:	C(C[6a]C[6a]2)(SNO)(H)2	S(CC[6a]HH)(NCH)(O)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SNO)(H)2	S(CC[6a]HH)(NCH)(O)	H(CC[6a]HS)	108.8724	0.177	5	108.8724	0.031	5	108.8724	0.031	5	106.1363	17.640	13	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:3:1:1:	4:3:2:	4:	P-3:S-3:H-1:H-1:	C-4:N-3:N-2:	C-4:	C(PC[6a]2)(SNN)(H)2	S(CHHP)(NSiH)(NSi)	H(CHPS)	C(PC[6a]2)(SNN)(H)2	S(CHHP)(NSiH)(NSi)	H(CHPS)	108.8690	0.016	2	108.8690	0.000	2	108.8690	0.000	2	108.8690	0.000	2	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:3:1:1:	4:4:1:	4:	C-3:S-3:H-1:H-1:	C-4:C-4:O-1:	C-4:	C(CCH)(SCO)(H)2	S(CCHH)2(O)	H(CCHS)	C(CCH)(SCO)(H)2	S(CCHH)2(O)	H(CCHS)	109.5653	0.185	4	109.5653	0.034	4	109.3661	3.322	19	109.0128	3.258	90	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:3:1:1:	4:4:1:	4:	C-3:S-3:H-1:H-1:	C-4:C-4:O-1:	C-4:	C(CNO)(SCO)(H)2	S(CC[6a]2H)(CCHH)(O)	H(CCHS)	C(CNO)(SCO)(H)2	S(CC[6a]2H)(CCHH)(O)	H(CCHS)	109.2977	2.226	13	109.2977	4.956	13	109.3661	3.322	19	109.0128	3.258	90	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:3:1:1:	4:4:1:	4:	C-3:S-3:H-1:H-1:	C-4:C-4:O-1:	C-4:	C(COO)(SCO)(H)2	S(CC[6a]2H)(CCHH)(O)	H(CCHS)	C(COO)(SCO)(H)2	S(CC[6a]2H)(CCHH)(O)	H(CCHS)	109.4120	0.013	2	109.4120	0.000	2	109.3661	3.322	19	109.0128	3.258	90	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:3:1:1:	4:4:1:	4:	C[6]-3:S-3:H-1:H-1:	C-4:C-4:O-1:	C-4:	C(C[6]C[6]2)(SCO)(H)2	S(CC[6]HH)(CH3)(O)	H(CC[6]HS)	C(C[6]C[6]2)(SCO)(H)2	S(CC[6]HH)(CH3)(O)	H(CC[6]HS)	107.1020	2.761	2	107.1020	7.621	2	107.1020	7.621	2	109.0128	3.258	90	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:3:1:1:	4:4:1:	4:	C[6a]-3:S-3:H-1:H-1:	C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(SCH)(H)2	S(CC[6a]HH)(CH3)(H)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SCH)(H)2	S(CC[6a]HH)(CH3)(H)	H(CC[6a]HS)	108.6895	0.030	2	108.6895	0.001	2	108.6895	0.001	2	109.0128	3.258	90	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:3:1:1:	4:4:1:	4:	C[6a]-3:S-3:H-1:H-1:	C-4:C-4:O-1:	C-4:	C(C[6a]C[6a]2)(SCO)(H)2	S(CC[6a]HH)(CC3)(O)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SCO)(H)2	S(CC[6a]HH)(CC3)(O)	H(CC[6a]HS)	109.4933	0.141	10	109.4933	0.020	10	108.9793	3.221	67	109.0128	3.258	90	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:3:1:1:	4:4:1:	4:	C[6a]-3:S-3:H-1:H-1:	C-4:C-4:O-1:	C-4:	C(C[6a]C[6a]2)(SCO)(H)2	S(CC[6a]HH)(CCHH)(O)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SCO)(H)2	S(CC[6a]HH)(CCHH)(O)	H(CC[6a]HS)	109.6273	0.043	6	109.6273	0.002	6	108.9793	3.221	67	109.0128	3.258	90	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:3:1:1:	4:4:1:	4:	C[6a]-3:S-3:H-1:H-1:	C-4:C-4:O-1:	C-4:	C(C[6a]C[6a]2)(SCO)(H)2	S(CC[6a]HH)2(O)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SCO)(H)2	S(CC[6a]HH)2(O)	H(CC[6a]HS)	108.8023	2.028	51	108.8023	4.113	51	108.9793	3.221	67	109.0128	3.258	90	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:3:1:1:	4:4:3:	4:	C[6a]-3:S-3:H-1:H-1:	C-4:C-4:C-3:	C-4:	C(C[6a]C[6a]2)(SCC)(H)2	S(CC[6a]HH)2(CC[6a]C)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SCC)(H)2	S(CC[6a]HH)2(CC[6a]C)	H(CC[6a]HS)	109.4270	0.493	4	109.4270	0.243	4	109.4270	0.243	4	109.4270	0.243	4	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:3:1:1:	4:4:4:	4:	C-3:S-3:H-1:H-1:	C-4:C-4:C-4:	C-4:	C(CCO)(SCC)(H)2	S(CCHH)(CH3)2	H(CCHS)	C(CCO)(SCC)(H)2	S(CCHH)(CH3)2	H(CCHS)	109.7527	0.317	6	109.7527	0.100	6	109.6876	0.063	10	109.4163	0.199	19	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:3:1:1:	4:4:4:	4:	C-3:S-3:H-1:H-1:	C-4:C-4:C-4:	C-4:	C(CC[6a]O)(SCC)(H)2	S(CCHH)(CH3)2	H(CCHS)	C(CC[6a]O)(SCC)(H)2	S(CCHH)(CH3)2	H(CCHS)	109.5890	0.024	2	109.5890	0.001	2	109.6876	0.063	10	109.4163	0.199	19	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:3:1:1:	4:4:4:	4:	C-3:S-3:H-1:H-1:	C-4:C-4:C-4:	C-4:	C(COO)(SCC)(H)2	S(CCHH)(CH3)2	H(CCHS)	C(COO)(SCC)(H)2	S(CCHH)(CH3)2	H(CCHS)	109.5910	0.028	2	109.5910	0.001	2	109.6876	0.063	10	109.4163	0.199	19	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:S-3:H-1:H-1:	C-4:Ga-4:C-4:	C-4:	C(C[6a]C[6a]2)(SGaC)(H)2	S(CC[6a]HH)(GaCl3)(CCHH)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SGaC)(H)2	S(CC[6a]HH)(GaCl3)(CCHH)	H(CC[6a]HS)	109.0155	0.009	2	109.0155	0.000	2	108.9002	0.018	4	109.4163	0.199	19	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:S-3:H-1:H-1:	C-4:Ga-4:C-4:	C-4:	C(C[6a]C[6a]2)(SGaC)(H)2	S(CC[6a]HH)(GaCl3)(CH3)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SGaC)(H)2	S(CC[6a]HH)(GaCl3)(CH3)	H(CC[6a]HS)	108.7850	0.010	2	108.7850	0.000	2	108.9002	0.018	4	109.4163	0.199	19	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:S-3:H-1:H-1:	C-4:In-4:C-4:	C-4:	C(C[6a]C[6a]2)(SInC)(H)2	S(CC[6a]HH)(InCl2S)(CCHH)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SInC)(H)2	S(CC[6a]HH)(InCl2S)(CCHH)	H(CC[6a]HS)	109.1385	0.008	2	109.1385	0.000	2	109.1385	0.000	2	109.4163	0.199	19	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:3:1:1:	4:4:4:	4:	S-3:C-3:H-1:H-1:	C[5,6]-4:C-4:C-4:	C-4:	C(SC[5,6]C)(CCH)(H)2	S(C[5,6]C[5,5,6]C[5,6]H)(CCHH)(CH3)	H(CCHS)	C(SC[5,6]C)(CCH)(H)2	S(C[5,6]C[5,5,6]C[5,6]H)(CCHH)(CH3)	H(CCHS)	108.9750	0.040	2	108.9750	0.002	2	109.3850	0.505	3	109.4163	0.199	19	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:3:1:1:	4:4:4:	4:	S-3:C-3:H-1:H-1:	C[5,6]-4:C-4:C-4:	C-4:	C(SC[5,6]C)(CNO)(H)2	S(C[5,6]C[5,5,6]C[5,6]H)(CCHH)(CH3)	H(CCHS)	C(SC[5,6]C)(CNO)(H)2	S(C[5,6]C[5,5,6]C[5,6]H)(CCHH)(CH3)	H(CCHS)	110.2050	0.000	1	110.2050	0.000	1	109.3850	0.505	3	109.4163	0.199	19	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:3:1:1:	4:6:4:	4:	C[6a]-3:S-3:H-1:H-1:	C-4:Nb-6:C-4:	C-4:	C(C[6a]C[6a]2)(SNbC)(H)2	S(CC[6a]HH)(NbCl4S)(CCHH)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SNbC)(H)2	S(CC[6a]HH)(NbCl4S)(CCHH)	H(CC[6a]HS)	109.7310	0.016	2	109.7310	0.000	2	109.4293	0.155	6	109.4293	0.155	6	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:3:1:1:	4:6:4:	4:	C[6a]-3:S-3:H-1:H-1:	C-4:Nb-6:C-4:	C-4:	C(C[6a]C[6a]2)(SNbC)(H)2	S(CC[6a]HH)(NbCl5)(CH3)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SNbC)(H)2	S(CC[6a]HH)(NbCl5)(CH3)	H(CC[6a]HS)	109.2785	0.410	4	109.2785	0.168	4	109.4293	0.155	6	109.4293	0.155	6	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:3:1:1:	5:4:4:	4:	S-3:C[6a]-3:H-1:H-1:	B[3x3,3x5,12x6]-5:C-4:C-4:	C-4:	C(SB[3x3,3x5,12x6]C)(C[6a]C[6a]2)(H)2	S(B[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(CC[6a]HH)(CH3)	H(CC[6a]HS)	C(SB[3x3,3x5,12x6]C)(C[6a]C[6a]2)(H)2	S(B[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(CC[6a]HH)(CH3)	H(CC[6a]HS)	109.4715	0.013	2	109.4715	0.000	2	109.4715	0.000	2	109.4715	0.000	2	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:3:1:1:	6:4:4:	4:	C[6a]-3:S-3:H-1:H-1:	In[4]-6:C-4:C-4:	C-4:	C(C[6a]C[6a]2)(SIn[4]C)(H)2	S(In[4]Cl[4]2Cl2S)(CC[6a]HH)(CCHH)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SIn[4]C)(H)2	S(In[4]Cl[4]2Cl2S)(CC[6a]HH)(CCHH)	H(CC[6a]HS)	108.6090	0.045	2	108.6090	0.002	2	108.6090	0.002	2	108.6090	0.002	2	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:3:3:1:	4:4:1:	4:	C[6a]-3:C[6a]-3:S-3:H-1:	C-4:C-4:O-1:	C-4:	C(C[6a]C[6a]2)2(SCO)(H)	S(CC[6a]2H)(CCHH)(O)	H(CC[6a]2S)	C(C[6a]C[6a]2)2(SCO)(H)	S(CC[6a]2H)(CCHH)(O)	H(CC[6a]2S)	107.0204	1.540	8	107.0204	2.371	8	107.0204	2.371	8	107.0204	2.371	8	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:3:4:1:	3:4:1:	4:	C[6a]-3:S-3:C-4:H-1:	C[6a]-3:C-4:O-1:	C-4:	C(C[6a]C[6a]2)(SC[6a]O)(CCHH)(H)	S(C[6a]C[6a]2)(CC[6a]CH)(O)	H(CC[6a]CS)	C(C[6a]C[6a]2)(SC[6a]O)(CCHH)(H)	S(C[6a]C[6a]2)(CC[6a]CH)(O)	H(CC[6a]CS)	107.8750	0.000	1	107.8750	0.000	1	107.9648	0.298	9	107.9648	0.298	9	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:3:4:1:	3:4:1:	4:	C[6a]-3:S-3:C-4:H-1:	C[6a]-3:C-4:O-1:	C-4:	C(C[6a]C[6a]2)(SC[6a]O)(CCHO)(H)	S(C[6a]C[6a]2)(CC[6a]CH)(O)	H(CC[6a]CS)	C(C[6a]C[6a]2)(SC[6a]O)(CCHO)(H)	S(C[6a]C[6a]2)(CC[6a]CH)(O)	H(CC[6a]CS)	106.6330	0.000	1	106.6330	0.000	1	107.9648	0.298	9	107.9648	0.298	9	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:3:4:1:	3:4:1:	4:	C[6a]-3:S-3:C-4:H-1:	C[6a]-3:C-4:O-1:	C-4:	C(C[6a]C[6a]2)(SC[6a]O)(CH3)(H)	S(C[6a]C[6a]2)(CC[6a]CH)(O)	H(CC[6a]CS)	C(C[6a]C[6a]2)(SC[6a]O)(CH3)(H)	S(C[6a]C[6a]2)(CC[6a]CH)(O)	H(CC[6a]CS)	108.1679	0.229	7	108.1679	0.052	7	107.9648	0.298	9	107.9648	0.298	9	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:4:1:1:	3:3:4:	4:	S-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(SC[6a]2)(CBrHH)(H)2	S(C[6a]C[6a]2)2(CCHH)	H(CCHS)	C(SC[6a]2)(CBrHH)(H)2	S(C[6a]C[6a]2)2(CCHH)	H(CCHS)	106.1165	2.338	2	106.1165	5.468	2	106.1165	5.468	2	106.1165	5.468	2	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:4:1:1:	3:4:1:	4:	S-3:C-4:H-1:H-1:	C[5a]-3:C-4:O-1:	C-4:	C(SC[5a]O)(CH3)(H)2	S(C[5a]C[5a,6a]C[5a])(CCHH)(O)	H(CCHS)	C(SC[5a]O)(CH3)(H)2	S(C[5a]C[5a,6a]C[5a])(CCHH)(O)	H(CCHS)	109.4302	0.269	38	109.4302	0.073	38	109.4391	0.070	40	109.3439	2.257	94	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:4:1:1:	3:4:1:	4:	S-3:C-4:H-1:H-1:	C[5a]-3:C-4:O-1:	C-4:	C(SC[5a]O)(CH3)(H)2	S(C[5a]C[5a]N[5a])(CCHH)(O)	H(CCHS)	C(SC[5a]O)(CH3)(H)2	S(C[5a]C[5a]N[5a])(CCHH)(O)	H(CCHS)	109.6085	0.006	2	109.6085	0.000	2	109.4391	0.070	40	109.3439	2.257	94	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:4:1:1:	3:4:1:	4:	S-3:C-4:H-1:H-1:	C[6]-3:C-4:O-1:	C-4:	C(SC[6]O)(CCHH)(H)2	S(C[6]C[6]N[6])(CCHH)(O)	H(CCHS)	C(SC[6]O)(CCHH)(H)2	S(C[6]C[6]N[6])(CCHH)(O)	H(CCHS)	107.4840	0.014	2	107.4840	0.000	2	107.4840	0.000	2	109.3439	2.257	94	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:4:1:1:	3:4:1:	4:	S-3:C-4:H-1:H-1:	C[6a]-3:C-4:O-1:	C-4:	C(SC[6a]O)(CCCH)(H)2	S(C[6a]C[6a]2)(CCHH)(O)	H(CCHS)	C(SC[6a]O)(CCCH)(H)2	S(C[6a]C[6a]2)(CCHH)(O)	H(CCHS)	109.0060	0.030	3	109.0060	0.001	3	109.3422	3.920	52	109.3439	2.257	94	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:4:1:1:	3:4:1:	4:	S-3:C-4:H-1:H-1:	C[6a]-3:C-4:O-1:	C-4:	C(SC[6a]O)(CCHH)(H)2	S(C[6a]C[6a]2)(CCHH)(O)	H(CCHS)	C(SC[6a]O)(CCHH)(H)2	S(C[6a]C[6a]2)(CCHH)(O)	H(CCHS)	110.1262	4.118	9	110.1262	16.956	9	109.3422	3.920	52	109.3439	2.257	94	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:4:1:1:	3:4:1:	4:	S-3:C-4:H-1:H-1:	C[6a]-3:C-4:O-1:	C-4:	C(SC[6a]O)(CCHO)(H)2	S(C[6a]C[6a]2)(CCHH)(O)	H(CCHS)	C(SC[6a]O)(CCHO)(H)2	S(C[6a]C[6a]2)(CCHH)(O)	H(CCHS)	109.5201	0.388	32	109.5201	0.151	32	109.3422	3.920	52	109.3439	2.257	94	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:4:1:1:	3:4:1:	4:	S-3:C-4:H-1:H-1:	C[6a]-3:C-4:O-1:	C-4:	C(SC[6a]O)(CH3)(H)2	S(C[6a]C[6a]2)(CCHH)(O)	H(CCHS)	C(SC[6a]O)(CH3)(H)2	S(C[6a]C[6a]2)(CCHH)(O)	H(CCHS)	106.1945	2.221	2	106.1945	4.933	2	109.3422	3.920	52	109.3439	2.257	94	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:4:1:1:	3:4:1:	4:	S-3:C-4:H-1:H-1:	C[6a]-3:C-4:O-1:	C-4:	C(SC[6a]O)(CHHO)(H)2	S(C[6a]C[6a]2)(CCHH)(O)	H(CCHS)	C(SC[6a]O)(CHHO)(H)2	S(C[6a]C[6a]2)(CCHH)(O)	H(CCHS)	109.9180	0.020	2	109.9180	0.000	2	109.3422	3.920	52	109.3439	2.257	94	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:4:1:1:	3:4:1:	4:	S-3:C-4:H-1:H-1:	C[6a]-3:C-4:O-1:	C-4:	C(SC[6a]O)(CHHP)(H)2	S(C[6a]C[6a]2)(CCHH)(O)	H(CCHS)	C(SC[6a]O)(CHHP)(H)2	S(C[6a]C[6a]2)(CCHH)(O)	H(CCHS)	109.3750	0.028	2	109.3750	0.001	2	109.3422	3.920	52	109.3439	2.257	94	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:4:1:1:	3:4:1:	4:	S-3:C-4:H-1:H-1:	C[6a]-3:C-4:O-1:	C-4:	C(SC[6a]O)(CHHS)(H)2	S(C[6a]C[6a]2)(CCHH)(O)	H(CCHS)	C(SC[6a]O)(CHHS)(H)2	S(C[6a]C[6a]2)(CCHH)(O)	H(CCHS)	106.0115	2.259	2	106.0115	5.104	2	109.3422	3.920	52	109.3439	2.257	94	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:4:1:1:	3:4:2:	4:	S-3:C-4:H-1:H-1:	C[6a]-3:C-4:N-2:	C-4:	C(SC[6a]N)(CHHS)(H)2	S(C[6a]C[6a]2)(CCHH)(NS)	H(CCHS)	C(SC[6a]N)(CHHS)(H)2	S(C[6a]C[6a]2)(CCHH)(NS)	H(CCHS)	109.4397	0.176	3	109.4397	0.031	3	109.4397	0.031	3	109.4397	0.031	3	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:4:1:1:	3:4:4:	4:	S-3:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:	C-4:	C(SC[6a]C)(CCHH)(H)2	S(C[6a]C[6a]2)(CCHH)(CH3)	H(CCHS)	C(SC[6a]C)(CCHH)(H)2	S(C[6a]C[6a]2)(CCHH)(CH3)	H(CCHS)	109.6470	0.107	4	109.6470	0.011	4	109.6470	0.011	4	109.6470	0.011	4	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:4:1:1:	4:4:1:	4:	S-3:C-4:H-1:H-1:	C[5]-4:C-4:O-1:	C-4:	C(SC[5]O)(CHHS)(H)2	S(C[5]C[5]2Fe)(CCHH)(O)	H(CCHS)	C(SC[5]O)(CHHS)(H)2	S(C[5]C[5]2Fe)(CCHH)(O)	H(CCHS)	109.6983	0.852	4	109.6983	0.727	4	109.6983	0.727	4	109.6124	0.415	7	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:4:1:1:	4:4:1:	4:	S-3:C-4:H-1:H-1:	C[6]-4:C-4:O-1:	C-4:	C(SC[6]O)(CH3)(H)2	S(C[6]C[6]O[6]H)(CCHH)(O)	H(CCHS)	C(SC[6]O)(CH3)(H)2	S(C[6]C[6]O[6]H)(CCHH)(O)	H(CCHS)	109.4980	0.348	3	109.4980	0.121	3	109.4980	0.121	3	109.6124	0.415	7	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:4:1:1:	4:4:4:	4:	S-3:C-4:H-1:H-1:	C-4:Ga-4:C-4:	C-4:	C(SGaC)(CH3)(H)2	S(CC[6a]HH)(GaCl3)(CCHH)	H(CCHS)	C(SGaC)(CH3)(H)2	S(CC[6a]HH)(GaCl3)(CCHH)	H(CCHS)	109.2125	0.039	2	109.2125	0.002	2	109.2125	0.002	2	108.5890	0.519	4	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:4:1:1:	4:4:4:	4:	S-3:C-4:H-1:H-1:	C-4:In-4:C-4:	C-4:	C(SInC)(CH3)(H)2	S(CC[6a]HH)(InCl2S)(CCHH)	H(CCHS)	C(SInC)(CH3)(H)2	S(CC[6a]HH)(InCl2S)(CCHH)	H(CCHS)	107.9655	0.030	2	107.9655	0.001	2	107.9655	0.001	2	108.5890	0.519	4	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:4:1:1:	4:6:4:	4:	S-3:C-4:H-1:H-1:	C-4:Nb-6:C-4:	C-4:	C(SNbC)(CH3)(H)2	S(CC[6a]HH)(NbCl4S)(CCHH)	H(CCHS)	C(SNbC)(CH3)(H)2	S(CC[6a]HH)(NbCl4S)(CCHH)	H(CCHS)	109.1290	0.030	2	109.1290	0.001	2	109.1290	0.001	2	109.1290	0.001	2	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:4:1:1:	5:4:4:	4:	S-3:C-4:H-1:H-1:	Ge-5:C-4:C-4:	C-4:	C(SGeC)(CH3)(H)2	S(GeF4)(CCHH)2	H(CCHS)	C(SGeC)(CH3)(H)2	S(GeF4)(CCHH)2	H(CCHS)	109.7535	0.013	2	109.7535	0.000	2	109.7535	0.000	2	109.7535	0.000	2	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:4:1:1:	6:4:4:	4:	S-3:C-4:H-1:H-1:	B[3x3,3x5,12x6]-6:C-4:C-4:	C-4:	C(SB[3x3,3x5,12x6]C)(CHHS)(H)2	S(B[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2Mo)(CCHH)2	H(CCHS)	C(SB[3x3,3x5,12x6]C)(CHHS)(H)2	S(B[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2Mo)(CCHH)2	H(CCHS)	109.2682	0.510	4	109.2682	0.261	4	109.2682	0.261	4	109.1073	0.219	6	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:4:1:1:	6:4:4:	4:	S-3:C-4:H-1:H-1:	In[4]-6:C-4:C-4:	C-4:	C(SIn[4]C)(CH3)(H)2	S(In[4]Cl[4]2Cl2S)(CC[6a]HH)(CCHH)	H(CCHS)	C(SIn[4]C)(CH3)(H)2	S(In[4]Cl[4]2Cl2S)(CC[6a]HH)(CCHH)	H(CCHS)	108.7855	0.026	2	108.7855	0.001	2	108.7855	0.001	2	109.1073	0.219	6	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:4:3:1:	3:4:1:	4:	C[6a]-3:C-4:S-3:H-1:	C[6a]-3:C-4:O-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]2O)(SC[6a]O)(H)	S(C[6a]C[6a]2)(CC[6a]CH)(O)	H(CC[6a]CS)	C(C[6a]C[6a]2)(CC[6a]2O)(SC[6a]O)(H)	S(C[6a]C[6a]2)(CC[6a]CH)(O)	H(CC[6a]CS)	106.3450	0.000	1	106.3450	0.000	1	107.1000	1.140	2	106.5093	2.525	4	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:4:3:1:	3:4:1:	4:	C[6a]-3:C-4:S-3:H-1:	C[6a]-3:C-4:O-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(SC[6a]O)(H)	S(C[6a]C[6a]2)(CC[6a]CH)(O)	H(CC[6a]CS)	C(C[6a]C[6a]2)(CC[6a]HO)(SC[6a]O)(H)	S(C[6a]C[6a]2)(CC[6a]CH)(O)	H(CC[6a]CS)	107.8550	0.000	1	107.8550	0.000	1	107.1000	1.140	2	106.5093	2.525	4	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:4:3:1:	3:4:1:	4:	S-3:C-4:C-3:H-1:	C[6a]-3:C-4:O-1:	C-4:	C(SC[6a]O)(CCCH)(CCO)(H)	S(C[6a]C[6a]2)(CCCH)(O)	H(CCCS)	C(SC[6a]O)(CCCH)(CCO)(H)	S(C[6a]C[6a]2)(CCCH)(O)	H(CCCS)	104.3310	0.000	1	104.3310	0.000	1	105.9185	5.040	2	106.5093	2.525	4	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:4:3:1:	3:4:1:	4:	S-3:C-4:C-3:H-1:	C[6a]-3:C-4:O-1:	C-4:	C(SC[6a]O)(CH3)(CNO)(H)	S(C[6a]C[6a]2)(CCCH)(O)	H(CCCS)	C(SC[6a]O)(CH3)(CNO)(H)	S(C[6a]C[6a]2)(CCCH)(O)	H(CCCS)	107.5060	0.000	1	107.5060	0.000	1	105.9185	5.040	2	106.5093	2.525	4	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:4:4:1:	3:4:1:	4:	S-3:C-4:C-4:H-1:	C[5a]-3:C-4:O-1:	C-4:	C(SC[5a]O)(CH3)2(H)	S(C[5a]C[5a,6a]C[5a])(CCCH)(O)	H(CCCS)	C(SC[5a]O)(CH3)2(H)	S(C[5a]C[5a,6a]C[5a])(CCCH)(O)	H(CCCS)	108.5880	0.000	1	108.5880	0.000	1	108.5880	0.000	1	107.9705	0.763	2	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:4:4:1:	3:4:1:	4:	S-3:C-4:C-4:H-1:	C[6a]-3:C-4:O-1:	C-4:	C(SC[6a]O)(CH3)2(H)	S(C[6a]C[6a]2)(CCCH)(O)	H(CCCS)	C(SC[6a]O)(CH3)2(H)	S(C[6a]C[6a]2)(CCCH)(O)	H(CCCS)	107.3530	0.000	1	107.3530	0.000	1	107.3530	0.000	1	107.9705	0.763	2	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:4:4:1:	3:4:2:	4:	S-3:C-4:C-4:H-1:	N[5]-3:C-4:N-2:	C-4:	C(SN[5]N)(CH3)2(H)	S(N[5]C[5]2)(CCCH)(NS)	H(CCCS)	C(SN[5]N)(CH3)2(H)	S(N[5]C[5]2)(CCCH)(NS)	H(CCCS)	109.6910	0.000	1	109.6910	0.000	1	109.6910	0.000	1	109.6910	0.000	1	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:4:4:1:	3:4:4:	4:	S-3:C-4:C-4:H-1:	C[6a]-3:B-4:C-4:	C-4:	C(SC[6a]B)(CH3)2(H)	S(C[6a]C[5a,6a]C[6a])(BBr3)(CCCH)	H(CCCS)	C(SC[6a]B)(CH3)2(H)	S(C[6a]C[5a,6a]C[6a])(BBr3)(CCCH)	H(CCCS)	109.2543	0.440	3	109.2543	0.193	3	109.2543	0.193	3	109.2543	0.193	3	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	3:4:4:1:	4:4:1:	4:	S-3:C-4:C-4:H-1:	C[5]-4:C-4:O-1:	C-4:	C(SC[5]O)(CH3)2(H)	S(C[5]C[5]2Fe)(CCCH)(O)	H(CCCS)	C(SC[5]O)(CH3)2(H)	S(C[5]C[5]2Fe)(CCCH)(O)	H(CCCS)	107.1840	0.000	1	107.1840	0.000	1	107.1840	0.000	1	107.1840	0.000	1	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	4:3:1:1:	3:4:1:	4:	C-4:S-3:Cl-1:H-1:	C[6a]-3:C-4:O-1:	C-4:	C(CC[5]HH)(SC[6a]O)(Cl)(H)	S(C[6a]C[6a]2)(CClCH)(O)	H(CClCS)	C(CC[5]HH)(SC[6a]O)(Cl)(H)	S(C[6a]C[6a]2)(CClCH)(O)	H(CClCS)	106.0900	1.758	2	106.0900	3.090	2	106.0900	3.090	2	108.0352	4.390	26	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	4:3:1:1:	3:4:1:	4:	C-4:S-3:H-1:H-1:	C[6a]-3:C-4:O-1:	C-4:	C(CC[5]HH)(SC[6a]O)(H)2	S(C[6a]C[6a]2)(CCHH)(O)	H(CCHS)	C(CC[5]HH)(SC[6a]O)(H)2	S(C[6a]C[6a]2)(CCHH)(O)	H(CCHS)	105.5580	3.032	2	105.5580	9.193	2	106.9253	5.557	4	108.0352	4.390	26	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	4:3:1:1:	3:4:1:	4:	C-4:S-3:H-1:H-1:	C[6a]-3:C-4:O-1:	C-4:	C(CC[6a]HO)(SC[6a]O)(H)2	S(C[6a]C[6a]2)(CCHH)(O)	H(CCHS)	C(CC[6a]HO)(SC[6a]O)(H)2	S(C[6a]C[6a]2)(CCHH)(O)	H(CCHS)	108.2925	0.028	2	108.2925	0.001	2	106.9253	5.557	4	108.0352	4.390	26	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	4:3:1:1:	3:4:1:	4:	C[5,5,6]-4:S-3:H-1:H-1:	C[6]-3:C-4:O-1:	C-4:	C(C[5,5,6]C[5,5]C[5,6]2)(SC[6]O)(H)2	S(C[6]C[6,6]C[6])(CC[5,5,6]HH)(O)	H(CC[5,5,6]HS)	C(C[5,5,6]C[5,5]C[5,6]2)(SC[6]O)(H)2	S(C[6]C[6,6]C[6])(CC[5,5,6]HH)(O)	H(CC[5,5,6]HS)	109.3785	0.006	2	109.3785	0.000	2	109.3785	0.000	2	108.0352	4.390	26	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	4:3:1:1:	3:4:1:	4:	C[5]-4:S-3:H-1:H-1:	C[6a]-3:C-4:O-1:	C-4:	C(C[5]C[5]O[5]H)(SC[6a]O)(H)2	S(C[6a]C[6a]2)(CC[5]HH)(O)	H(CC[5]HS)	C(C[5]C[5]O[5]H)(SC[6a]O)(H)2	S(C[6a]C[6a]2)(CC[5]HH)(O)	H(CC[5]HS)	109.7533	0.018	4	109.7533	0.000	4	109.7533	0.000	4	108.0352	4.390	26	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	4:3:1:1:	3:4:1:	4:	C[6]-4:S-3:H-1:H-1:	C[6a]-3:C-4:O-1:	C-4:	C(C[6]C[6,6a]N[6]C)(SC[6a]O)(H)2	S(C[6a]C[6a]2)(CC[6]HH)(O)	H(CC[6]HS)	C(C[6]C[6,6a]N[6]C)(SC[6a]O)(H)2	S(C[6a]C[6a]2)(CC[6]HH)(O)	H(CC[6]HS)	109.2670	0.037	2	109.2670	0.001	2	107.9474	4.767	14	108.0352	4.390	26	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	4:3:1:1:	3:4:1:	4:	C[6]-4:S-3:H-1:H-1:	C[6a]-3:C-4:O-1:	C-4:	C(C[6]C[6]2O)(SC[6a]O)(H)2	S(C[6a]C[6a]2)(CC[6]HH)(O)	H(CC[6]HS)	C(C[6]C[6]2O)(SC[6a]O)(H)2	S(C[6a]C[6a]2)(CC[6]HH)(O)	H(CC[6]HS)	106.5838	2.667	4	106.5838	7.114	4	107.9474	4.767	14	108.0352	4.390	26	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	4:3:1:1:	3:4:1:	4:	C[6]-4:S-3:H-1:H-1:	C[6a]-3:C-4:O-1:	C-4:	C(C[6]C[6]O[6]C)(SC[6a]O)(H)2	S(C[6a]C[6a]2)(CC[6]HH)(O)	H(CC[6]HS)	C(C[6]C[6]O[6]C)(SC[6a]O)(H)2	S(C[6a]C[6a]2)(CC[6]HH)(O)	H(CC[6]HS)	106.8923	2.058	4	106.8923	4.234	4	107.9474	4.767	14	108.0352	4.390	26	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	4:3:1:1:	3:4:1:	4:	C[6]-4:S-3:H-1:H-1:	C[6a]-3:C-4:O-1:	C-4:	C(C[6]C[6]O[6]H)(SC[6a]O)(H)2	S(C[6a]C[6a]2)(CC[6]HH)(O)	H(CC[6]HS)	C(C[6]C[6]O[6]H)(SC[6a]O)(H)2	S(C[6a]C[6a]2)(CC[6]HH)(O)	H(CC[6]HS)	109.7065	0.240	4	109.7065	0.058	4	107.9474	4.767	14	108.0352	4.390	26	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	4:3:1:1:	4:1:1:	4:	S-4:S-3:H-1:H-1:	C-4:O-1:O-1:	C-4:	C(SC[6a]OO)(SOO)(H)2	S(CHHS)(O)2	H(CHSS)	C(SC[6a]OO)(SOO)(H)2	S(CHHS)(O)2	H(CHSS)	108.3103	0.157	7	108.3103	0.025	7	108.3103	0.025	7	108.3103	0.025	7	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	4:3:1:1:	4:3:1:	4:	C-4:S-3:H-1:H-1:	C-4:C-3:O-1:	C-4:	C(CCHN)(SCO)(H)2	S(CCHH)(CCH)(O)	H(CCHS)	C(CCHN)(SCO)(H)2	S(CCHH)(CCH)(O)	H(CCHS)	109.3875	0.008	2	109.3875	0.000	2	109.3875	0.000	2	108.8347	0.311	8	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	4:3:1:1:	4:3:1:	4:	C-4:S-3:H-1:H-1:	C-4:N-3:O-1:	C-4:	C(CC[6a]HH)(SNO)(H)2	S(CCHH)(NHH)(O)	H(CCHS)	C(CC[6a]HH)(SNO)(H)2	S(CCHH)(NHH)(O)	H(CCHS)	109.2735	0.005	2	109.2735	0.000	2	109.2735	0.000	2	108.8347	0.311	8	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	4:3:1:1:	4:3:1:	4:	C[5,5,6]-4:S-3:H-1:H-1:	C-4:C[6a]-3:O-1:	C-4:	C(C[5,5,6]C[5,5]C[5,6]2)(SC[6a]O)(H)2	S(CC[5,5,6]HH)(C[6a]C[6a]2)(O)	H(CC[5,5,6]HS)	C(C[5,5,6]C[5,5]C[5,6]2)(SC[6a]O)(H)2	S(CC[5,5,6]HH)(C[6a]C[6a]2)(O)	H(CC[5,5,6]HS)	108.3390	0.259	4	108.3390	0.067	4	108.3390	0.067	4	108.8347	0.311	8	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	4:3:1:1:	4:4:1:	4:	C-4:S-3:H-1:H-1:	C-4:C-4:H-1:	C-4:	C(CHHS)(SCH)(H)2	S(CCHH)2(H)	H(CCHS)	C(CHHS)(SCH)(H)2	S(CCHH)2(H)	H(CCHS)	109.0863	0.445	3	109.0863	0.198	3	109.0863	0.198	3	109.1528	1.658	56	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	4:3:1:1:	4:4:1:	4:	C-4:S-3:H-1:H-1:	C-4:C-4:I-1:	C-4:	C(CH3)(SCI)(H)2	S(CCHH)2(I)	H(CCHS)	C(CH3)(SCI)(H)2	S(CCHH)2(I)	H(CCHS)	109.1374	0.698	14	109.1374	0.487	14	109.1374	0.487	14	109.1528	1.658	56	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	4:3:1:1:	4:4:1:	4:	C-4:S-3:H-1:H-1:	C-4:C-4:O-1:	C-4:	C(CCCH)(SCO)(H)2	S(CC[6a]HH)(CCHH)(O)	H(CCHS)	C(CCCH)(SCO)(H)2	S(CC[6a]HH)(CCHH)(O)	H(CCHS)	109.3120	0.000	1	109.3120	0.000	1	109.1748	2.343	37	109.1528	1.658	56	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	4:3:1:1:	4:4:1:	4:	C-4:S-3:H-1:H-1:	C-4:C-4:O-1:	C-4:	C(CCHH)(SCO)(H)2	S(CCHH)2(O)	H(CCHS)	C(CCHH)(SCO)(H)2	S(CCHH)2(O)	H(CCHS)	109.8325	0.008	2	109.8325	0.000	2	109.1748	2.343	37	109.1528	1.658	56	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	4:3:1:1:	4:4:1:	4:	C-4:S-3:H-1:H-1:	C-4:C-4:O-1:	C-4:	C(CCHH)(SCO)(H)2	S(CC[6a]HH)(CCHH)(O)	H(CCHS)	C(CCHH)(SCO)(H)2	S(CC[6a]HH)(CCHH)(O)	H(CCHS)	109.9230	0.058	2	109.9230	0.003	2	109.1748	2.343	37	109.1528	1.658	56	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	4:3:1:1:	4:4:1:	4:	C-4:S-3:H-1:H-1:	C-4:C-4:O-1:	C-4:	C(CCHN)(SCO)(H)2	S(CCHH)(CH3)(O)	H(CCHS)	C(CCHN)(SCO)(H)2	S(CCHH)(CH3)(O)	H(CCHS)	109.7590	0.035	2	109.7590	0.001	2	109.1748	2.343	37	109.1528	1.658	56	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	4:3:1:1:	4:4:1:	4:	C-4:S-3:H-1:H-1:	C-4:C-4:O-1:	C-4:	C(CCHN)(SCO)(H)2	S(CCHH)(CHHS)(O)	H(CCHS)	C(CCHN)(SCO)(H)2	S(CCHH)(CHHS)(O)	H(CCHS)	109.4785	0.015	2	109.4785	0.000	2	109.1748	2.343	37	109.1528	1.658	56	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	4:3:1:1:	4:4:1:	4:	C-4:S-3:H-1:H-1:	C-4:C-4:O-1:	C-4:	C(CCHN)(SCO)(H)2	S(CCHH)2(O)	H(CCHS)	C(CCHN)(SCO)(H)2	S(CCHH)2(O)	H(CCHS)	109.6270	0.054	4	109.6270	0.003	4	109.1748	2.343	37	109.1528	1.658	56	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	4:3:1:1:	4:4:1:	4:	C-4:S-3:H-1:H-1:	C-4:C-4:O-1:	C-4:	C(CCHO)(SCO)(H)2	S(CCHH)(CC3)(O)	H(CCHS)	C(CCHO)(SCO)(H)2	S(CCHH)(CC3)(O)	H(CCHS)	109.1055	0.047	2	109.1055	0.002	2	109.1748	2.343	37	109.1528	1.658	56	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	4:3:1:1:	4:4:1:	4:	C-4:S-3:H-1:H-1:	C-4:C-4:O-1:	C-4:	C(CC[6a]HH)(SCO)(H)2	S(CCHH)2(O)	H(CCHS)	C(CC[6a]HH)(SCO)(H)2	S(CCHH)2(O)	H(CCHS)	109.5065	0.031	6	109.5065	0.001	6	109.1748	2.343	37	109.1528	1.658	56	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	4:3:1:1:	4:4:1:	4:	C-4:S-3:H-1:H-1:	C-4:C-4:O-1:	C-4:	C(CH3)(SCO)(H)2	S(CCHH)2(O)	H(CCHS)	C(CH3)(SCO)(H)2	S(CCHH)2(O)	H(CCHS)	109.4330	0.000	1	109.4330	0.000	1	109.1748	2.343	37	109.1528	1.658	56	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	4:3:1:1:	4:4:1:	4:	C-4:S-3:H-1:H-1:	C-4:C-4:O-1:	C-4:	C(CH3)(SCO)(H)2	S(CSeCH)(CCHH)(O)	H(CCHS)	C(CH3)(SCO)(H)2	S(CSeCH)(CCHH)(O)	H(CCHS)	109.8745	0.006	2	109.8745	0.000	2	109.1748	2.343	37	109.1528	1.658	56	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	4:3:1:1:	4:4:1:	4:	C-4:S-3:H-1:H-1:	C-4:C-4:O-1:	C-4:	C(CHHO)(SCO)(H)2	S(CCHH)2(O)	H(CCHS)	C(CHHO)(SCO)(H)2	S(CCHH)2(O)	H(CCHS)	107.5048	2.785	8	107.5048	7.759	8	109.1748	2.343	37	109.1528	1.658	56	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	4:3:1:1:	4:4:1:	4:	C-4:S-3:H-1:H-1:	C-4:C-4:O-1:	C-4:	C(CHHS)(SCO)(H)2	S(CCHH)2(O)	H(CCHS)	C(CHHS)(SCO)(H)2	S(CCHH)2(O)	H(CCHS)	109.7953	0.186	3	109.7953	0.035	3	109.1748	2.343	37	109.1528	1.658	56	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	4:3:1:1:	4:4:1:	4:	C-4:S-3:H-1:H-1:	C-4:C-4:O-1:	C-4:	C(CHHS)(SCO)(H)2	S(CC[6a]HH)(CCHH)(O)	H(CCHS)	C(CHHS)(SCO)(H)2	S(CC[6a]HH)(CCHH)(O)	H(CCHS)	109.9035	0.016	2	109.9035	0.000	2	109.1748	2.343	37	109.1528	1.658	56	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	4:3:1:1:	4:4:1:	4:	C-4:S-3:H-1:H-1:	C-4:C-4:Se-1:	C-4:	C(CHHS)(SSeC)(H)2	S(CCHH)(CH3)(Se)	H(CCHS)	C(CHHS)(SSeC)(H)2	S(CCHH)(CH3)(Se)	H(CCHS)	108.9530	0.028	2	108.9530	0.001	2	108.9530	0.001	2	109.1528	1.658	56	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	4:3:1:1:	4:4:2:	4:	C-4:S-3:H-1:H-1:	C-4:C-4:N-2:	C-4:	C(CCHH)(SCN)(H)2	S(CCHH)2(NS)	H(CCHS)	C(CCHH)(SCN)(H)2	S(CCHH)2(NS)	H(CCHS)	109.3375	0.032	4	109.3375	0.001	4	109.1938	0.386	32	109.2138	0.378	36	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	4:3:1:1:	4:4:2:	4:	C-4:S-3:H-1:H-1:	C-4:C-4:N-2:	C-4:	C(CCHN)(SCN)(H)2	S(CCHH)2(NS)	H(CCHS)	C(CCHN)(SCN)(H)2	S(CCHH)2(NS)	H(CCHS)	109.2090	0.027	4	109.2090	0.001	4	109.1938	0.386	32	109.2138	0.378	36	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	4:3:1:1:	4:4:2:	4:	C-4:S-3:H-1:H-1:	C-4:C-4:N-2:	C-4:	C(CHHO)(SCN)(H)2	S(CCHH)2(NS)	H(CCHS)	C(CHHO)(SCN)(H)2	S(CCHH)2(NS)	H(CCHS)	109.3487	0.609	20	109.3487	0.371	20	109.1938	0.386	32	109.2138	0.378	36	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	4:3:1:1:	4:4:2:	4:	C-4:S-3:H-1:H-1:	C-4:C-4:N-2:	C-4:	C(CHHS)(SCN)(H)2	S(CCHH)2(NS)	H(CCHS)	C(CHHS)(SCN)(H)2	S(CCHH)2(NS)	H(CCHS)	108.2600	0.529	4	108.2600	0.280	4	109.1938	0.386	32	109.2138	0.378	36	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	4:3:1:1:	4:4:2:	4:	C-4:S-3:H-1:H-1:	C-4:C-4:S-2:	C-4:	C(CCHH)(SCS)(H)2	S(CCHH)2(SC)	H(CCHS)	C(CCHH)(SCS)(H)2	S(CCHH)2(SC)	H(CCHS)	109.9155	0.059	2	109.9155	0.003	2	109.3735	0.393	4	109.2138	0.378	36	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	4:3:1:1:	4:4:2:	4:	C-4:S-3:H-1:H-1:	C-4:C-4:S-2:	C-4:	C(CClHH)(SCS)(H)2	S(CCHH)2(SC)	H(CCHS)	C(CClHH)(SCS)(H)2	S(CCHH)2(SC)	H(CCHS)	108.8315	0.015	2	108.8315	0.000	2	109.3735	0.393	4	109.2138	0.378	36	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	4:3:1:1:	4:4:3:	4:	C-4:S-3:H-1:H-1:	C-4:C-4:C-3:	C-4:	C(CC[6a]HH)(SCC)(H)2	S(CCHH)(CF3)(CCC)	H(CCHS)	C(CC[6a]HH)(SCC)(H)2	S(CCHH)(CF3)(CCC)	H(CCHS)	109.9695	0.025	2	109.9695	0.001	2	109.9695	0.001	2	109.4170	0.294	6	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	4:3:1:1:	4:4:3:	4:	C-4:S-3:H-1:H-1:	C-4:C-4:N-3:	C-4:	C(CHHO)(SCN)(H)2	S(CCHH)2(NHH)	H(CCHS)	C(CHHO)(SCN)(H)2	S(CCHH)2(NHH)	H(CCHS)	109.1407	0.430	4	109.1407	0.185	4	109.1407	0.185	4	109.4170	0.294	6	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	4:3:1:1:	4:4:4:	4:	B[6,6]-4:S-3:H-1:H-1:	C-4:C-4:C-4:	C-4:	C(B[6,6]C[6,6]2N)(SCC)(H)2	S(CB[6,6]HH)(CH3)2	H(CB[6,6]HS)	C(B[6,6]C[6,6]2N)(SCC)(H)2	S(CB[6,6]HH)(CH3)2	H(CB[6,6]HS)	108.4786	0.357	5	108.4786	0.127	5	108.4786	0.127	5	108.9117	1.991	37	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	4:3:1:1:	4:4:4:	4:	C-4:S-3:H-1:H-1:	C-4:C-4:C-4:	C-4:	C(CCHH)(SCC)(H)2	S(CCHH)(CH3)2	H(CCHS)	C(CCHH)(SCC)(H)2	S(CCHH)(CH3)2	H(CCHS)	109.1342	0.493	13	109.1342	0.243	13	108.9621	2.327	31	108.9117	1.991	37	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	4:3:1:1:	4:4:4:	4:	C-4:S-3:H-1:H-1:	C-4:C-4:C-4:	C-4:	C(CCHH)(SCC)(H)2	S(CCHH)3	H(CCHS)	C(CCHH)(SCC)(H)2	S(CCHH)3	H(CCHS)	108.7263	0.669	6	108.7263	0.447	6	108.9621	2.327	31	108.9117	1.991	37	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	4:3:1:1:	4:4:4:	4:	C-4:S-3:H-1:H-1:	C-4:C-4:C-4:	C-4:	C(CH3)(SCC)(H)2	S(CCHH)3	H(CCHS)	C(CH3)(SCC)(H)2	S(CCHH)3	H(CCHS)	110.0555	2.270	6	110.0555	5.151	6	108.9621	2.327	31	108.9117	1.991	37	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	4:3:1:1:	4:4:4:	4:	C-4:S-3:H-1:H-1:	C-4:C-4:C-4:	C-4:	C(CHHN)(SCC)(H)2	S(CCHH)(CH3)2	H(CCHS)	C(CHHN)(SCC)(H)2	S(CCHH)(CH3)2	H(CCHS)	109.0747	0.291	4	109.0747	0.085	4	108.9621	2.327	31	108.9117	1.991	37	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	4:3:1:1:	4:4:4:	4:	C-4:S-3:H-1:H-1:	C-4:C-4:C-4:	C-4:	C(COPP)(SCC)(H)2	S(CCHH)(CH3)2	H(CCHS)	C(COPP)(SCC)(H)2	S(CCHH)(CH3)2	H(CCHS)	105.0450	0.069	2	105.0450	0.005	2	108.9621	2.327	31	108.9117	1.991	37	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	4:3:1:1:	4:4:4:	4:	C-4:S-3:H-1:H-1:	C-4:Ga-4:C-4:	C-4:	C(CHHS)(SGaC)(H)2	S(CCHH)(GaI3)(CH3)	H(CCHS)	C(CHHS)(SGaC)(H)2	S(CCHH)(GaI3)(CH3)	H(CCHS)	109.5160	0.000	1	109.5160	0.000	1	109.5160	0.000	1	108.9117	1.991	37	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	4:3:1:1:	5:4:4:	4:	C-4:S-3:H-1:H-1:	Ge-5:C-4:C-4:	C-4:	C(CHHS)(SGeC)(H)2	S(GeF4)(CCHH)(CH3)	H(CCHS)	C(CHHS)(SGeC)(H)2	S(GeF4)(CCHH)(CH3)	H(CCHS)	108.9850	0.017	2	108.9850	0.000	2	108.9100	0.008	4	108.9100	0.008	4	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	4:3:1:1:	5:4:4:	4:	C-4:S-3:H-1:H-1:	Ge-5:C-4:C-4:	C-4:	C(CHHS)(SGeC)(H)2	S(GeF4)(CCHH)2	H(CCHS)	C(CHHS)(SGeC)(H)2	S(GeF4)(CCHH)2	H(CCHS)	108.8350	0.042	2	108.8350	0.002	2	108.9100	0.008	4	108.9100	0.008	4	109.3252	0.765	5404	109.3252	0.765	5404
490	887	951	0:SP3_SP-NON_SP3	C	S	H	4:4:3:1:	4:2:1:	4:	C-4:C-4:S-3:H-1:	C-4:N-2:O-1:	C-4:	C(CH3)2(SNO)(H)	S(CCCH)(NC)(O)	H(CCCS)	C(CH3)2(SNO)(H)	S(CCCH)(NC)(O)	H(CCCS)	108.4700	0.000	1	108.4700	0.000	1	108.4700	0.000	1	108.4700	0.000	1	109.3252	0.765	5404	109.3252	0.765	5404
490	887	952	0:SP3_SP3_SP3	C	S	S	4:3:1:1:	4:1:1:	3:4:1:1:	S-4:S-3:H-1:H-1:	C-4:O-1:O-1:	C[6a]-3:C-4:O-1:O-1:	C(SC[6a]OO)(SOO)(H)2	S(CHHS)(O)2	S(C[6a]C[6a]2)(CHHS)(O)2	C(SC[6a]OO)(SOO)(H)2	S(CHHS)(O)2	S(C[6a]C[6a]2)(CHHS)(O)2	115.7572	0.543	4	115.7572	0.295	4	115.7572	0.295	4	115.7572	0.295	4	115.7572	0.295	4	115.7572	0.295	4
490	887	983	0:SP3_SP1_SP3	C	S	C	3:2:1:1:	3:4:1:	4:1:	S-3:C-2:H-1:H-1:	C[6a]-3:C-4:O-1:	C-4:N-1:	C(SC[6a]O)(CN)(H)2	S(C[6a]C[6a]2)(CCHH)(O)	C(CHHS)(N)	C(SC[6a]O)(CN)(H)2	S(C[6a]C[6a]2)(CCHH)(O)	C(CHHS)(N)	111.6900	0.000	1	111.6900	0.000	1	111.6900	0.000	1	111.6900	0.000	1	111.7618	1.594	4	111.7618	1.594	4
490	887	983	0:SP3_SP1_SP3	C	S	C	3:2:1:1:	3:4:1:	4:2:	S-3:C-2:H-1:H-1:	C[6a]-3:C-4:O-1:	C-4:C-2:	C(SC[6a]O)(CC)(H)2	S(C[6a]C[6a]2)(CCHH)(O)	C(CHHS)(CH)	C(SC[6a]O)(CC)(H)2	S(C[6a]C[6a]2)(CCHH)(O)	C(CHHS)(CH)	113.5650	0.000	1	113.5650	0.000	1	113.5650	0.000	1	113.5650	0.000	1	111.7618	1.594	4	111.7618	1.594	4
490	887	983	0:SP3_SP1_SP3	C	S	C	3:2:1:1:	4:1:1:	4:2:	S-3:C-2:H-1:H-1:	C-4:C-1:C-1:	C-4:C-2:	C(SCC)(CC)(H)2	S(CCHH)(C)2	C(CHHS)(CC)	C(SCC)(CC)(H)2	S(CCHH)(C)2	C(CHHS)(CC)	110.8960	0.163	2	110.8960	0.026	2	110.8960	0.026	2	110.8960	0.026	2	111.7618	1.594	4	111.7618	1.594	4
490	888	951	0:SP3_SP-NON_SP2	C	Se[5]	H	3:1:1:1:	4:4:4:	4:	Se[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(Se[5]C[5]2)(H)3	Se[5](C[5]C[5,6a]HH)2(CH3)	H(CSe[5]HH)	C(Se[5]C[5]2)(H)3	Se[5](C[5]C[5,6a]HH)2(CH3){2|C<3>}	H(CSe[5]HH)	109.4830	0.006	4	109.4830	0.000	4	109.4830	0.000	4	109.4830	0.000	4	109.4830	0.000	4	109.4830	0.000	4
490	890	951	0:SP3_SP-NON_SP3	C	As	H	3:4:1:1:	4:2:2:2:	4:	C[6a]-3:As-4:H-1:H-1:	C-4:O-2:O-2:O-2:	C-4:	C(C[6a]C[6a]2)(AsO3)(H)2	As(CC[6a]HH)(OSn)3	H(CC[6a]AsH)	C(C[6a]C[6a]2)(AsO3)(H)2	As(CC[6a]HH)(OSn)3	H(CC[6a]AsH)	109.2426	0.454	8	109.2426	0.206	8	109.2426	0.206	8	109.2426	0.206	8	109.1865	0.570	173	109.1865	0.570	173
490	890	951	0:SP3_SP-NON_SP3	C	As	H	4:1:1:1:	3:3:4:4:	4:	As-4:H-1:H-1:H-1:	C[6a]-3:As-3:C-4:C-4:	C-4:	C(AsC[6a]AsC)(H)3	As(C[6a]C[6a]2)(AsC[6a]C)(CH3)2	H(CAsHH)	C(AsC[6a]AsC)(H)3	As(C[6a]C[6a]2)(AsC[6a]C)(CH3)2	H(CAsHH)	109.4729	0.027	8	109.4729	0.001	8	109.4729	0.001	8	109.4729	0.001	8	109.1865	0.570	173	109.1865	0.570	173
490	890	951	0:SP3_SP-NON_SP3	C	As	H	4:1:1:1:	3:4:4:4:	4:	As-4:H-1:H-1:H-1:	P-3:C-4:C-4:C-4:	C-4:	C(AsCCP)(H)3	As(PAsC)(CH3)3	H(CAsHH)	C(AsCCP)(H)3	As(PAsC)(CH3)3	H(CAsHH)	109.4725	0.030	16	109.4725	0.001	16	109.4767	0.001	29	109.4767	0.001	29	109.1865	0.570	173	109.1865	0.570	173
490	890	951	0:SP3_SP-NON_SP3	C	As	H	4:1:1:1:	3:4:4:4:	4:	As-4:H-1:H-1:H-1:	P-3:C-4:C-4:C-4:	C-4:	C(AsCCP)(H)3	As(PC[6a]P)(CH3)3	H(CAsHH)	C(AsCCP)(H)3	As(PC[6a]P)(CH3)3	H(CAsHH)	109.4818	0.048	13	109.4818	0.002	13	109.4767	0.001	29	109.4767	0.001	29	109.1865	0.570	173	109.1865	0.570	173
490	890	951	0:SP3_SP-NON_SP3	C	As	H	4:1:1:1:	4:4:1:1:	4:	As-4:H-1:H-1:H-1:	C-4:C-4:O-1:O-1:	C-4:	C(AsCOO)(H)3	As(CH3)2(O)2	H(CAsHH)	C(AsCOO)(H)3	As(CH3)2(O)2	H(CAsHH)	109.0855	0.944	11	109.0855	0.892	11	109.0855	0.892	11	109.0855	0.892	11	109.1865	0.570	173	109.1865	0.570	173
490	890	951	0:SP3_SP-NON_SP3	C	As	H	4:1:1:1:	4:4:2:1:	4:	As-4:H-1:H-1:H-1:	C-4:C-4:O-2:O-1:	C-4:	C(AsCOO)(H)3	As(CH3)2(OH)(O)	H(CAsHH)	C(AsCOO)(H)3	As(CH3)2(OH)(O)	H(CAsHH)	109.5112	0.038	5	109.5112	0.001	5	109.5112	0.001	5	109.5112	0.001	5	109.1865	0.570	173	109.1865	0.570	173
490	890	951	0:SP3_SP-NON_SP3	C	As	H	4:1:1:1:	4:4:2:2:	4:	As-4:H-1:H-1:H-1:	C-4:C-4:O-2:O-2:	C-4:	C(AsCOO)(H)3	As(CH3)2(OFe)2	H(CAsHH)	C(AsCOO)(H)3	As(CH3)2(OFe)2	H(CAsHH)	109.4666	0.044	5	109.4666	0.002	5	109.4666	0.002	5	109.4666	0.002	5	109.1865	0.570	173	109.1865	0.570	173
490	890	951	0:SP3_SP-NON_SP3	C	As	H	4:1:1:1:	4:4:4:1:	4:	As-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(AsCCH)(H)3	As(CH3)3(H)	H(CAsHH)	C(AsCCH)(H)3	As(CH3)3(H)	H(CAsHH)	107.6560	2.833	4	107.6560	8.023	4	107.6560	8.023	4	107.6560	8.023	4	109.1865	0.570	173	109.1865	0.570	173
490	890	951	0:SP3_SP-NON_SP3	C	As	H	4:1:1:1:	4:4:4:2:	4:	As-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(AsCCO)(H)3	As(CH3)3(OH)	H(CAsHH)	C(AsCCO)(H)3	As(CH3)3(OH)	H(CAsHH)	109.4559	0.042	13	109.4559	0.002	13	109.4492	0.001	21	109.4492	0.001	21	109.1865	0.570	173	109.1865	0.570	173
490	890	951	0:SP3_SP-NON_SP3	C	As	H	4:1:1:1:	4:4:4:2:	4:	As-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(AsCCO)(H)3	As(CH3)3(OSb)	H(CAsHH)	C(AsCCO)(H)3	As(CH3)3(OSb)	H(CAsHH)	109.4384	0.031	8	109.4384	0.001	8	109.4492	0.001	21	109.4492	0.001	21	109.1865	0.570	173	109.1865	0.570	173
490	890	951	0:SP3_SP-NON_SP3	C	As	H	4:1:1:1:	4:4:4:4:	4:	As-4:H-1:H-1:H-1:	As-4:C-4:C-4:C-4:	C-4:	C(AsAsCC)(H)3	As(AsC3)(CH3)3	H(CAsHH)	C(AsAsCC)(H)3	As(AsC3)(CH3)3	H(CAsHH)	109.4715	0.039	8	109.4715	0.002	8	109.4715	0.002	8	109.4744	0.003	41	109.1865	0.570	173	109.1865	0.570	173
490	890	951	0:SP3_SP-NON_SP3	C	As	H	4:1:1:1:	4:4:4:4:	4:	As-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(AsC3)(H)3	As(CCHH)(CH3)3	H(CAsHH)	C(AsC3)(H)3	As(CCHH)(CH3)3	H(CAsHH)	109.4910	0.076	13	109.4910	0.006	13	109.4835	0.004	20	109.4744	0.003	41	109.1865	0.570	173	109.1865	0.570	173
490	890	951	0:SP3_SP-NON_SP3	C	As	H	4:1:1:1:	4:4:4:4:	4:	As-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(AsC3)(H)3	As(CCHH)2(CH3)2	H(CAsHH)	C(AsC3)(H)3	As(CCHH)2(CH3)2	H(CAsHH)	109.4300	0.052	2	109.4300	0.003	2	109.4835	0.004	20	109.4744	0.003	41	109.1865	0.570	173	109.1865	0.570	173
490	890	951	0:SP3_SP-NON_SP3	C	As	H	4:1:1:1:	4:4:4:4:	4:	As-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(AsC3)(H)3	As(CH3)4	H(CAsHH)	C(AsC3)(H)3	As(CH3)4	H(CAsHH)	109.4856	0.040	5	109.4856	0.002	5	109.4835	0.004	20	109.4744	0.003	41	109.1865	0.570	173	109.1865	0.570	173
490	890	951	0:SP3_SP-NON_SP3	C	As	H	4:1:1:1:	4:4:4:4:	4:	As-4:H-1:H-1:H-1:	C-4:Ga-4:C-4:C-4:	C-4:	C(AsGaCC)(H)3	As(CCHH)(GaI3)(CH3)2	H(CAsHH)	C(AsGaCC)(H)3	As(CCHH)(GaI3)(CH3)2	H(CAsHH)	109.4787	0.047	9	109.4787	0.002	9	109.4622	0.003	13	109.4744	0.003	41	109.1865	0.570	173	109.1865	0.570	173
490	890	951	0:SP3_SP-NON_SP3	C	As	H	4:1:1:1:	4:4:4:4:	4:	As-4:H-1:H-1:H-1:	C-4:Ga-4:C-4:C-4:	C-4:	C(AsGaCC)(H)3	As(CC[6]HH)(GaCl3)(CH3)2	H(CAsHH)	C(AsGaCC)(H)3	As(CC[6]HH)(GaCl3)(CH3)2	H(CAsHH)	109.4250	0.045	4	109.4250	0.002	4	109.4622	0.003	13	109.4744	0.003	41	109.1865	0.570	173	109.1865	0.570	173
490	890	951	0:SP3_SP-NON_SP3	C	As	H	4:4:1:1:	3:3:3:4:	4:	As-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C-4:	C(AsC[6a]3)(CCHH)(H)2	As(C[6a]C[6a]2)3(CCHH)	H(CAsCH)	C(AsC[6a]3)(CCHH)(H)2	As(C[6a]C[6a]2)3(CCHH)	H(CAsCH)	108.7527	0.018	4	108.7527	0.000	4	108.7527	0.000	4	108.7527	0.000	4	109.1865	0.570	173	109.1865	0.570	173
490	890	951	0:SP3_SP-NON_SP3	C	As	H	4:4:1:1:	3:3:4:1:	4:	As-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:S-1:	C-4:	C(AsC[6a]2S)(CAsHH)(H)2	As(C[6a]C[6a]2)2(CCHH)(S)	H(CAsCH)	C(AsC[6a]2S)(CAsHH)(H)2	As(C[6a]C[6a]2)2(CCHH)(S)	H(CAsCH)	109.5895	0.011	2	109.5895	0.000	2	109.5895	0.000	2	109.5895	0.000	2	109.1865	0.570	173	109.1865	0.570	173
490	890	951	0:SP3_SP-NON_SP3	C	As	H	4:4:1:1:	3:3:4:4:	4:	As-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:Ga-4:	C-4:	C(AsC[6a]2Ga)(CAsHH)(H)2	As(C[6a]C[6a]2)2(CCHH)(GaI3)	H(CAsCH)	C(AsC[6a]2Ga)(CAsHH)(H)2	As(C[6a]C[6a]2)2(CCHH)(GaI3)	H(CAsCH)	109.4090	0.033	3	109.4090	0.001	3	109.4090	0.001	3	109.4090	0.001	3	109.1865	0.570	173	109.1865	0.570	173
490	890	951	0:SP3_SP-NON_SP3	C	As	H	4:4:1:1:	4:2:2:2:	4:	As-4:C-4:H-1:H-1:	C-4:O-2:O-2:O-2:	C-4:	C(AsO3)(CCHH)(H)2	As(CCHH)(OSn)3	H(CAsCH)	C(AsO3)(CCHH)(H)2	As(CCHH)(OSn)3	H(CAsCH)	108.8032	0.397	9	108.8032	0.158	9	108.8032	0.158	9	108.8032	0.158	9	109.1865	0.570	173	109.1865	0.570	173
490	890	951	0:SP3_SP-NON_SP3	C	As	H	4:4:1:1:	4:4:4:1:	4:	As-4:C-4:H-1:H-1:	C-4:C-4:C-4:Cl-1:	C-4:	C(AsClCC)(CH3)(H)2	As(CCHH)3(Cl)	H(CAsCH)	C(AsClCC)(CH3)(H)2	As(CCHH)3(Cl)	H(CAsCH)	109.3114	0.065	5	109.3114	0.004	5	109.3114	0.004	5	109.3114	0.004	5	109.1865	0.570	173	109.1865	0.570	173
490	890	951	0:SP3_SP-NON_SP3	C	As	H	4:4:1:1:	4:4:4:4:	4:	As-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(AsC3)(CH3)(H)2	As(CCHH)(CH3)3	H(CAsCH)	C(AsC3)(CH3)(H)2	As(CCHH)(CH3)3	H(CAsCH)	108.9080	0.283	2	108.9080	0.080	2	108.7643	0.102	6	107.7674	0.946	14	109.1865	0.570	173	109.1865	0.570	173
490	890	951	0:SP3_SP-NON_SP3	C	As	H	4:4:1:1:	4:4:4:4:	4:	As-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(AsC3)(CH3)(H)2	As(CCHH)2(CH3)2	H(CAsCH)	C(AsC3)(CH3)(H)2	As(CCHH)2(CH3)2	H(CAsCH)	108.9935	0.078	2	108.9935	0.006	2	108.7643	0.102	6	107.7674	0.946	14	109.1865	0.570	173	109.1865	0.570	173
490	890	951	0:SP3_SP-NON_SP3	C	As	H	4:4:1:1:	4:4:4:4:	4:	As-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(AsC3)(COPP)(H)2	As(CCHH)(CH3)3	H(CAsCH)	C(AsC3)(COPP)(H)2	As(CCHH)(CH3)3	H(CAsCH)	108.3915	0.028	2	108.3915	0.001	2	108.7643	0.102	6	107.7674	0.946	14	109.1865	0.570	173	109.1865	0.570	173
490	890	951	0:SP3_SP-NON_SP3	C	As	H	4:4:1:1:	4:4:4:4:	4:	As-4:C-4:H-1:H-1:	C-4:Ga-4:C-4:C-4:	C-4:	C(AsGaCC)(CC3)(H)2	As(CCHH)(GaI3)(CH3)2	H(CAsCH)	C(AsGaCC)(CC3)(H)2	As(CCHH)(GaI3)(CH3)2	H(CAsCH)	106.8778	0.416	6	106.8778	0.173	6	106.8778	0.173	6	107.7674	0.946	14	109.1865	0.570	173	109.1865	0.570	173
490	890	951	0:SP3_SP-NON_SP3	C	As	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:As-4:H-1:H-1:	C-4:Ga-4:C-4:C-4:	C-4:	C(C[6]C[6]2C)(AsGaCC)(H)2	As(CC[6]HH)(GaCl3)(CH3)2	H(CC[6]AsH)	C(C[6]C[6]2C)(AsGaCC)(H)2	As(CC[6]HH)(GaCl3)(CH3)2	H(CC[6]AsH)	107.4455	0.005	2	107.4455	0.000	2	107.4455	0.000	2	107.7674	0.946	14	109.1865	0.570	173	109.1865	0.570	173
490	890	951	0:SP3_SP-NON_SP3	C	As	H	4:4:1:1:	6:4:4:4:	4:	As-4:C-4:H-1:H-1:	Ge-6:C-4:C-4:C-4:	C-4:	C(AsGeCC)(CH3)(H)2	As(GeAsCl4)(CCHH)3	H(CAsCH)	C(AsGeCC)(CH3)(H)2	As(GeAsCl4)(CCHH)3	H(CAsCH)	108.8578	0.200	4	108.8578	0.040	4	108.8578	0.040	4	108.8578	0.040	4	109.1865	0.570	173	109.1865	0.570	173
490	892	909	0:SP3_SP3_SP3	C	N	S	4:2:2:1:	4:4:4:4:	4:4:	N-4:C-2:S-2:H-1:	C-4:C-4:C-4:C-4:	C-4:C-4:	C(NC3)(CC)(SC)(H)	N(CCHS)(CH3)3	S(CCHN)(CH3)	C(NC3)(CC)(SC)(H)	N(CCHS)(CH3)3	S(CCHN)(CH3)	112.7160	0.000	1	112.7160	0.000	1	112.7160	0.000	1	112.7160	0.000	1	112.7160	0.000	1	112.7160	0.000	1
490	892	924	0:SP3_SP-NON_SP3	C	N	Br	4:1:1:1:	4:4:4:4:	4:	N-4:Br-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NC3)(Br)(H)2	N(CBrHH)(CCHH)3	Br(CHHN)	C(NC3)(Br)(H)2	N(CBrHH)(CCHH)3	Br(CHHN)	113.6870	0.110	2	113.6870	0.012	2	112.8912	1.239	6	112.8912	1.239	6	112.8912	1.239	6	112.8912	1.239	6
490	892	924	0:SP3_SP-NON_SP3	C	N	Br	4:1:1:1:	4:4:4:4:	4:	N-4:Br-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NC3)(Br)(H)2	N(CBrHH)(CH3)3	Br(CHHN)	C(NC3)(Br)(H)2	N(CBrHH)(CH3)3	Br(CHHN)	112.4933	1.195	4	112.4933	1.428	4	112.8912	1.239	6	112.8912	1.239	6	112.8912	1.239	6	112.8912	1.239	6
490	892	930	0:SP3_SP2_SP3	C	N	C	3:4:1:1:	4:1:1:1:	3:4:1:	C-3:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:H-1:	C(CC[5]H)(NH3)(H)2	N(CCHH)(H)3	C(C[5]N[5]2)(CHHN)(H)	C(CC[5]H)(NH3)(H)2	N(CCHH)(H)3	C(C[5]N[5]2)(CHHN)(H)	107.9150	0.000	1	107.9150	0.000	1	107.9150	0.000	1	109.1312	1.256	5	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	3:4:1:1:	4:1:1:1:	3:4:1:	C-3:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:H-1:	C(CC[6a]H)(NH3)(H)2	N(CCHH)(H)3	C(C[6a]C[6a]2)(CHHN)(H)	C(CC[6a]H)(NH3)(H)2	N(CCHH)(H)3	C(C[6a]C[6a]2)(CHHN)(H)	108.3000	0.000	1	108.3000	0.000	1	108.3000	0.000	1	109.1312	1.256	5	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	3:4:1:1:	4:1:1:1:	3:4:1:	C-3:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:O-1:	C(CC[6a]O)(NH3)(H)2	N(CCHH)(H)3	C(C[6a]C[6a]2)(CHHN)(O)	C(CC[6a]O)(NH3)(H)2	N(CCHH)(H)3	C(C[6a]C[6a]2)(CHHN)(O)	110.3220	0.000	1	110.3220	0.000	1	110.3220	0.000	1	109.1312	1.256	5	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	3:4:1:1:	4:1:1:1:	3:4:1:	C-3:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	N[5]-3:C-4:O-1:	C(CN[5]O)(NH3)(H)2	N(CCHH)(H)3	C(N[5]C[5]2)(CHHN)(O)	C(CN[5]O)(NH3)(H)2	N(CCHH)(H)3	C(N[5]C[5]2)(CHHN)(O)	109.5595	1.034	2	109.5595	1.070	2	109.5595	1.070	2	109.1312	1.256	5	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	3:4:1:1:	4:1:1:1:	4:4:1:	C-3:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	N[5]-4:C-4:H-1:	C(CN[5]H)(NH3)(H)2	N(CCHH)(H)3	C(N[5]C[5]2H)(CHHN)(H)	C(CN[5]H)(NH3)(H)2	N(CCHH)(H)3	C(N[5]C[5]2H)(CHHN)(H)	110.1570	0.000	1	110.1570	0.000	1	110.1570	0.000	1	110.1570	0.000	1	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	3:4:1:1:	4:4:1:1:	3:3:4:	C-3:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-3:C-4:	C(CC[6a]C)(NCHH)(H)2	N(CCHH)(CC3)(H)2	C(C[6a]C[6a]2)(CC[6a]2)(CHHN)	C(CC[6a]C)(NCHH)(H)2	N(CCHH)(CC3)(H)2	C(C[6a]C[6a]2)(CC[6a]2)(CHHN)	113.8660	0.000	1	113.8660	0.000	1	113.8660	0.000	1	113.8660	0.000	1	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	3:4:1:1:	4:4:1:1:	3:4:3:	C-3:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-3:	C(CC[6a]C)(NCHH)(H)2	N(CCHH)(CC3)(H)2	C(C[6a]C[6a]2)(CHHN)(CSiC)	C(CC[6a]C)(NCHH)(H)2	N(CCHH)(CC3)(H)2	C(C[6a]C[6a]2)(CHHN)(CSiC)	113.3100	0.000	1	113.3100	0.000	1	113.3100	0.000	1	113.3100	0.000	1	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	3:4:3:1:	4:1:1:1:	3:4:1:	C-3:N-4:C-3:H-1:	C-4:H-1:H-1:H-1:	N[5]-3:C-4:O-1:	C(CN[5]O)(NH3)(CCH)(H)	N(CCCH)(H)3	C(N[5]C[5]2)(CCHN)(O)	C(CN[5]O)(NH3)(CCH)(H)	N(CCCH)(H)3	C(N[5]C[5]2)(CCHN)(O)	107.3040	0.000	1	107.3040	0.000	1	107.3040	0.000	1	107.3040	0.000	1	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	3:4:3:1:	4:1:1:1:	4:1:1:	C[6a]-3:N-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:O-1:O-1:	C(C[6a]C[6a]2)(NH3)(COO)(H)	N(CC[6a]CH)(H)3	C(CC[6a]HN)(O)2	C(C[6a]C[6a]2)(NH3)(COO)(H)	N(CC[6a]CH)(H)3	C(CC[6a]HN)(O)2	109.4370	0.630	3	109.4370	0.397	3	109.4370	0.397	3	109.4370	0.397	3	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	3:4:3:1:	4:1:1:1:	4:2:1:	C[6a]-3:N-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:O-2:O-1:	C(C[6a]C[6a]2)(NH3)(COO)(H)	N(CC[6a]CH)(H)3	C(CC[6a]HN)(OC)(O)	C(C[6a]C[6a]2)(NH3)(COO)(H)	N(CC[6a]CH)(H)3	C(CC[6a]HN)(OC)(O)	107.4650	0.294	2	107.4650	0.087	2	108.1100	0.835	13	108.1100	0.835	13	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	3:4:3:1:	4:1:1:1:	4:2:1:	C[6a]-3:N-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:O-2:O-1:	C(C[6a]C[6a]2)(NH3)(COO)(H)	N(CC[6a]CH)(H)3	C(CC[6a]HN)(OH)(O)	C(C[6a]C[6a]2)(NH3)(COO)(H)	N(CC[6a]CH)(H)3	C(CC[6a]HN)(OH)(O)	108.2273	0.946	11	108.2273	0.895	11	108.1100	0.835	13	108.1100	0.835	13	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	3:4:3:1:	4:1:1:1:	4:3:1:	C-3:N-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CN[5]O)(NH3)(CCH)(H)	N(CCCH)(H)3	C(CCHN)(CCH)(H)	C(CN[5]O)(NH3)(CCH)(H)	N(CCCH)(H)3	C(CCHN)(CCH)(H)	111.5930	0.000	1	111.5930	0.000	1	111.5930	0.000	1	108.2696	5.273	5	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	3:4:3:1:	4:1:1:1:	4:3:1:	C[6]-3:N-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:N-3:O-1:	C(C[6]C[6]2)(NH3)(CNO)(H)	N(CC[6]CH)(H)3	C(CC[6]HN)(NC[4]H)(O)	C(C[6]C[6]2)(NH3)(CNO)(H)	N(CC[6]CH)(H)3	C(CC[6]HN)(NC[4]H)(O)	105.4320	0.000	1	105.4320	0.000	1	105.4320	0.000	1	108.2696	5.273	5	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	3:4:3:1:	4:1:1:1:	4:3:1:	C[6a]-3:N-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a,6a]C[6a])(NH3)(CCH)(H)	N(CC[6a]CH)(H)3	C(CC[6a]HN)(CHH)(H)	C(C[6a]C[6a,6a]C[6a])(NH3)(CCH)(H)	N(CC[6a]CH)(H)3	C(CC[6a]HN)(CHH)(H)	108.3830	0.000	1	108.3830	0.000	1	108.3830	0.000	1	108.2696	5.273	5	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	3:4:3:1:	4:1:1:1:	4:3:1:	C[6a]-3:N-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:N-3:O-1:	C(C[6a]C[6a]2)(NH3)(CNO)(H)	N(CC[6a]CH)(H)3	C(CC[6a]HN)(NC[4]H)(O)	C(C[6a]C[6a]2)(NH3)(CNO)(H)	N(CC[6a]CH)(H)3	C(CC[6a]HN)(NC[4]H)(O)	107.9700	1.342	2	107.9700	1.801	2	107.9700	1.801	2	108.2696	5.273	5	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	3:4:3:1:	4:3:1:1:	4:2:1:	C[6a]-3:N-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C-4:O-2:O-1:	C(C[6a]C[6a]2)(NCHH)(COO)(H)	N(CC[6a]CH)(CC[6a]H)(H)2	C(CC[6a]HN)(OH)(O)	C(C[6a]C[6a]2)(NCHH)(COO)(H)	N(CC[6a]CH)(CC[6a]H)(H)2	C(CC[6a]HN)(OH)(O)	108.5470	0.000	1	108.5470	0.000	1	108.5470	0.000	1	108.5470	0.000	1	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	3:4:3:1:	4:4:1:1:	4:2:1:	C[6]-3:N-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:O-1:	C(C[6]C[6]2)(NCHH)(COO)(H)	N(CC[6]CH)(CC[6]HH)(H)2	C(CC[6]HN)(OH)(O)	C(C[6]C[6]2)(NCHH)(COO)(H)	N(CC[6]CH)(CC[6]HH)(H)2	C(CC[6]HN)(OH)(O)	108.6405	1.271	2	108.6405	1.615	2	108.6405	1.615	2	108.6405	1.615	2	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	3:4:3:1:	4:4:1:1:	4:3:1:	C[6a]-3:N-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(C[6a]C[5,6a]C[6a])(NCHH)(CCH)(H)	N(CC[6a]CH)(CCHH)(H)2	C(CC[6a]HN)(CCC)(H)	C(C[6a]C[5,6a]C[6a])(NCHH)(CCH)(H)	N(CC[6a]CH)(CCHH)(H)2	C(CC[6a]HN)(CCC)(H)	105.3630	0.000	1	105.3630	0.000	1	107.1050	2.914	3	107.3506	1.572	5	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	3:4:3:1:	4:4:1:1:	4:3:1:	C[6a]-3:N-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(C[6a]C[5a,6a]C[6a])(NCHH)(CCH)(H)	N(CC[6a]CH)(CCCH)(H)2	C(CC[6a]HN)(CCC)(H)	C(C[6a]C[5a,6a]C[6a])(NCHH)(CCH)(H)	N(CC[6a]CH)(CCCH)(H)2	C(CC[6a]HN)(CCC)(H)	107.1770	0.000	1	107.1770	0.000	1	107.1050	2.914	3	107.3506	1.572	5	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	3:4:3:1:	4:4:1:1:	4:3:1:	C[6a]-3:N-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCHH)(CCH)(H)	N(CC[6a]CH)(CH3)(H)2	C(CC[6a]HN)(CHH)(H)	C(C[6a]C[6a]2)(NCHH)(CCH)(H)	N(CC[6a]CH)(CH3)(H)2	C(CC[6a]HN)(CHH)(H)	108.7750	0.000	1	108.7750	0.000	1	107.1050	2.914	3	107.3506	1.572	5	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	3:4:3:1:	4:4:1:1:	4:3:1:	C[6a]-3:N-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:N-3:O-1:	C(C[6a]C[6a]2)(NCHH)(CNO)(H)	N(CC[6a]CH)(CCCP)(H)2	C(CC[6a]HN)(NC[6a]H)(O)	C(C[6a]C[6a]2)(NCHH)(CNO)(H)	N(CC[6a]CH)(CCCP)(H)2	C(CC[6a]HN)(NC[6a]H)(O)	107.7740	0.000	1	107.7740	0.000	1	107.7190	0.006	2	107.3506	1.572	5	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	3:4:3:1:	4:4:1:1:	4:3:1:	C[6a]-3:N-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:N-3:O-1:	C(C[6a]C[6a]2)(NCHH)(CNO)(H)	N(CC[6a]CH)2(H)2	C(CC[6a]HN)(NHH)(O)	C(C[6a]C[6a]2)(NCHH)(CNO)(H)	N(CC[6a]CH)2(H)2	C(CC[6a]HN)(NHH)(O)	107.6640	0.000	1	107.6640	0.000	1	107.7190	0.006	2	107.3506	1.572	5	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	3:4:3:1:	4:4:1:1:	4:4:1:	C[6a]-3:N-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-1:	C(C[6a]C[6a]2)(NCHH)(CCO)(H)	N(CC[6a]CH)(CH3)(H)2	C(CC[6a]HN)(CH3)(O)	C(C[6a]C[6a]2)(NCHH)(CCO)(H)	N(CC[6a]CH)(CH3)(H)2	C(CC[6a]HN)(CH3)(O)	108.0030	0.000	1	108.0030	0.000	1	108.0030	0.000	1	108.0030	0.000	1	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	3:4:4:1:	4:1:1:1:	3:4:1:	C-3:C-4:N-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:F-1:	C(CC[5]F)(CH3)(NH3)(H)	N(CCCH)(H)3	C(C[5]C[5]2)(CCHN)(F)	C(CC[5]F)(CH3)(NH3)(H)	N(CCCH)(H)3	C(C[5]C[5]2)(CCHN)(F)	108.7310	0.000	1	108.7310	0.000	1	108.7310	0.000	1	108.7587	0.001	3	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	3:4:4:1:	4:1:1:1:	3:4:1:	C-3:C-4:N-4:H-1:	C-4:H-1:H-1:H-1:	N[5]-3:C-4:O-1:	C(CN[5]O)(CH3)(NH3)(H)	N(CCCH)(H)3	C(N[5]C[5]2)(CCHN)(O)	C(CN[5]O)(CH3)(NH3)(H)	N(CCCH)(H)3	C(N[5]C[5]2)(CCHN)(O)	108.7725	0.004	2	108.7725	0.000	2	108.7725	0.000	2	108.7587	0.001	3	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	3:4:4:1:	4:2:1:1:	3:4:1:	C-3:N-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:O-1:	C(CC[6a]O)(NHHO)(CH3)(H)	N(CCCH)(OH)(H)2	C(C[6a]C[6a]2)(CCHN)(O)	C(CC[6a]O)(NHHO)(CH3)(H)	N(CCCH)(OH)(H)2	C(C[6a]C[6a]2)(CCHN)(O)	106.0710	0.000	1	106.0710	0.000	1	106.0710	0.000	1	106.0710	0.000	1	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	3:4:4:1:	4:4:1:1:	3:4:1:	C-3:C-4:N-4:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:O-1:	C(CC[6a]O)(CHHO)(NCHH)(H)	N(CCCH)(CH3)(H)2	C(C[6a]C[6a]2)(CCHN)(O)	C(CC[6a]O)(CHHO)(NCHH)(H)	N(CCCH)(CH3)(H)2	C(C[6a]C[6a]2)(CCHN)(O)	107.6340	0.000	1	107.6340	0.000	1	107.6340	0.000	1	108.6982	1.252	23	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	3:4:4:1:	4:4:1:1:	3:4:1:	C-3:N-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:O-1:	C(CC[6a]O)(NCHH)(CH3)(H)	N(CCCH)(CC3)(H)2	C(C[6a]C[6a]2)(CCHN)(O)	C(CC[6a]O)(NCHH)(CH3)(H)	N(CCCH)(CC3)(H)2	C(C[6a]C[6a]2)(CCHN)(O)	109.4635	1.391	2	109.4635	1.935	2	109.0344	0.412	18	108.6982	1.252	23	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	3:4:4:1:	4:4:1:1:	3:4:1:	C-3:N-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:O-1:	C(CC[6a]O)(NCHH)(CH3)(H)	N(CCCH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHN)(O)	C(CC[6a]O)(NCHH)(CH3)(H)	N(CCCH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHN)(O)	109.6245	0.070	2	109.6245	0.005	2	109.0344	0.412	18	108.6982	1.252	23	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	3:4:4:1:	4:4:1:1:	3:4:1:	C-3:N-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:O-1:	C(CC[6a]O)(NCHH)(CH3)(H)	N(CCCH)(CH3)(H)2	C(C[6a]C[6a]2)(CCHN)(O)	C(CC[6a]O)(NCHH)(CH3)(H)	N(CCCH)(CH3)(H)2	C(C[6a]C[6a]2)(CCHN)(O)	108.8888	0.534	14	108.8888	0.285	14	109.0344	0.412	18	108.6982	1.252	23	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	3:4:4:1:	4:4:1:1:	3:4:1:	C-3:N-4:C-4:H-1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:O-1:	C(CN[5]O)(NCHH)(CH3)(H)	N(CCCH)2(H)2	C(N[5]C[5,6]C[5])(CCHN)(O)	C(CN[5]O)(NCHH)(CH3)(H)	N(CCCH)2(H)2	C(N[5]C[5,6]C[5])(CCHN)(O)	108.3067	1.089	3	108.3067	1.187	3	108.3067	1.187	3	108.6982	1.252	23	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	3:4:4:1:	4:4:1:1:	3:4:1:	C-3:N-4:C-4:H-1:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:O-1:	C(CN[6]O)(NCHH)(CH3)(H)	N(CCCH)2(H)2	C(N[6]C[6]2)(CCHN)(O)	C(CN[6]O)(NCHH)(CH3)(H)	N(CCCH)2(H)2	C(N[6]C[6]2)(CCHN)(O)	104.8860	0.000	1	104.8860	0.000	1	104.8860	0.000	1	108.6982	1.252	23	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	3:4:4:1:	4:4:1:1:	3:4:3:	C-3:N-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-3:	C(CC[6a]C)(NCHH)(CH3)(H)	N(CC[6a]HH)(CCCH)(H)2	C(C[6a]C[6a]2)(CCHN)(CHH)	C(CC[6a]C)(NCHH)(CH3)(H)	N(CC[6a]HH)(CCCH)(H)2	C(C[6a]C[6a]2)(CCHN)(CHH)	112.8110	0.000	1	112.8110	0.000	1	112.8110	0.000	1	112.8110	0.000	1	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	3:4:4:3:	4:1:1:1:	4:1:1:	C[6a]-3:C-4:N-4:C-3:	C-4:H-1:H-1:H-1:	C-4:O-1:O-1:	C(C[6a]C[6a]2)(CH3)(NH3)(COO)	N(CC[6a]CC)(H)3	C(CC[6a]CN)(O)2	C(C[6a]C[6a]2)(CH3)(NH3)(COO)	N(CC[6a]CC)(H)3	C(CC[6a]CN)(O)2	108.4280	0.000	1	108.4280	0.000	1	108.4280	0.000	1	108.4280	0.000	1	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	3:4:4:3:	4:4:1:1:	4:3:1:	C[6a]-3:N-4:C-4:C-3:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCHH)(CH3)(CCH)	N(CC[6a]CC)(CH3)(H)2	C(CC[6a]CN)(CHH)(H)	C(C[6a]C[6a]2)(NCHH)(CH3)(CCH)	N(CC[6a]CC)(CH3)(H)2	C(CC[6a]CN)(CHH)(H)	105.4290	0.000	1	105.4290	0.000	1	105.4290	0.000	1	105.4290	0.000	1	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	3:4:4:4:	4:1:1:1:	3:4:2:	C-3:C-4:C-4:N-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:N-2:	C(CC[6a]N)(CH3)2(NH3)	N(CC3)(H)3	C(C[6a]C[6a]2)(CCCN)(NO)	C(CC[6a]N)(CH3)2(NH3)	N(CC3)(H)3	C(C[6a]C[6a]2)(CCCN)(NO)	107.9375	1.944	2	107.9375	3.779	2	107.9375	3.779	2	107.9375	3.779	2	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	3:4:4:4:	4:4:1:1:	3:4:3:	C-3:N-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-3:	C(CC[6a]C)(NCHH)(CH3)2	N(CC3)2(H)2	C(C[6a]C[6a]2)(CCCN)(CHH)	C(CC[6a]C)(NCHH)(CH3)2	N(CC3)2(H)2	C(C[6a]C[6a]2)(CCCN)(CHH)	110.5130	0.000	1	110.5130	0.000	1	109.9980	0.929	3	109.9980	0.929	3	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	3:4:4:4:	4:4:1:1:	3:4:3:	C-3:N-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-3:	C(CC[6a]C)(NCHH)(CH3)2	N(CCHH)(CC3)(H)2	C(C[6a]C[6a]2)(CCCN)(CHH)	C(CC[6a]C)(NCHH)(CH3)2	N(CCHH)(CC3)(H)2	C(C[6a]C[6a]2)(CCCN)(CHH)	109.7405	1.208	2	109.7405	1.460	2	109.9980	0.929	3	109.9980	0.929	3	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:3:1:1:	3:4:1:1:	4:3:1:	N-4:C-3:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:N-3:H-1:	C(NCHH)(CHN)(H)2	N(CC[6a]H)(CCHH)(H)2	C(CHHN)(NCC)(H)	C(NCHH)(CHN)(H)2	N(CC[6a]H)(CCHH)(H)2	C(CHHN)(NCC)(H)	111.3920	0.000	1	111.3920	0.000	1	111.3920	0.000	1	111.3920	0.000	1	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:3:1:1:	3:4:4:1:	4:2:1:	N-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:O-2:O-1:	C(NC[6a]CH)(COO)(H)2	N(C[6a]C[6a]2)(CCHH)2(H)	C(CHHN)(OH)(O)	C(NC[6a]CH)(COO)(H)2	N(C[6a]C[6a]2)(CCHH)2(H)	C(CHHN)(OH)(O)	109.7060	0.341	2	109.7060	0.116	2	109.7060	0.116	2	109.7060	0.116	2	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:3:1:1:	4:1:1:1:	4:1:1:	N-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:	C(NH3)(CHH)(H)2	N(CCHH)(H)3	C(CHHN)(H)2	C(NH3)(CHH)(H)2	N(CCHH)(H)3	C(CHHN)(H)2	114.3545	0.046	2	114.3545	0.002	2	114.3545	0.002	2	111.3617	0.917	88	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:3:1:1:	4:1:1:1:	4:1:1:	N-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:O-1:O-1:	C(NH3)(COO)(H)2	N(CCHH)(H)3	C(CHHN)(O)2	C(NH3)(COO)(H)2	N(CCHH)(H)3	C(CHHN)(O)2	111.2921	0.850	86	111.2921	0.723	86	111.2921	0.723	86	111.3617	0.917	88	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:3:1:1:	4:1:1:1:	4:2:1:	N-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:N-2:O-1:	C(NH3)(CNO)(H)2	N(CCHH)(H)3	C(CHHN)(NC)(O)	C(NH3)(CNO)(H)2	N(CCHH)(H)3	C(CHHN)(NC)(O)	110.8040	0.501	2	110.8040	0.251	2	110.8040	0.251	2	110.6179	1.227	29	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:3:1:1:	4:1:1:1:	4:2:1:	N-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:O-2:O-1:	C(NH3)(COO)(H)2	N(CCHH)(H)3	C(CHHN)(OC)(O)	C(NH3)(COO)(H)2	N(CCHH)(H)3	C(CHHN)(OC)(O)	110.2210	0.380	3	110.2210	0.144	3	110.6041	1.309	27	110.6179	1.227	29	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:3:1:1:	4:1:1:1:	4:2:1:	N-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:O-2:O-1:	C(NH3)(COO)(H)2	N(CCHH)(H)3	C(CHHN)(OCo)(O)	C(NH3)(COO)(H)2	N(CCHH)(H)3	C(CHHN)(OCo)(O)	111.7360	0.000	1	111.7360	0.000	1	110.6041	1.309	27	110.6179	1.227	29	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:3:1:1:	4:1:1:1:	4:2:1:	N-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:O-2:O-1:	C(NH3)(COO)(H)2	N(CCHH)(H)3	C(CHHN)(OH)(O)	C(NH3)(COO)(H)2	N(CCHH)(H)3	C(CHHN)(OH)(O)	110.4292	1.093	21	110.4292	1.196	21	110.6041	1.309	27	110.6179	1.227	29	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:3:1:1:	4:1:1:1:	4:2:1:	N-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:O-2:O-1:	C(NH3)(COO)(H)2	N(CCHH)(H)3	C(CHHN)(OMg)(O)	C(NH3)(COO)(H)2	N(CCHH)(H)3	C(CHHN)(OMg)(O)	111.8770	0.000	1	111.8770	0.000	1	110.6041	1.309	27	110.6179	1.227	29	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:3:1:1:	4:1:1:1:	4:2:1:	N-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:O-2:O-1:	C(NH3)(COO)(H)2	N(CCHH)(H)3	C(CHHN)(OZn)(O)	C(NH3)(COO)(H)2	N(CCHH)(H)3	C(CHHN)(OZn)(O)	113.0230	0.000	1	113.0230	0.000	1	110.6041	1.309	27	110.6179	1.227	29	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:3:1:1:	4:1:1:1:	4:2:2:	N-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:O-2:O-2:	C(NH3)(COO)(H)2	N(CCHH)(H)3	C(CHHN)(OMo)2	C(NH3)(COO)(H)2	N(CCHH)(H)3	C(CHHN)(OMo)2	109.0550	0.000	1	109.0550	0.000	1	109.0550	0.000	1	109.0550	0.000	1	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:3:1:1:	4:1:1:1:	4:3:1:	N-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(NH3)(CCH)(H)2	N(CCHH)(H)3	C(CHHN)(CCC)(H)	C(NH3)(CCH)(H)2	N(CCHH)(H)3	C(CHHN)(CCC)(H)	111.1150	0.000	1	111.1150	0.000	1	112.2572	3.501	4	109.6232	1.713	75	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:3:1:1:	4:1:1:1:	4:3:1:	N-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:	C(NH3)(CCH)(H)2	N(CCHH)(H)3	C(CHHN)(CHH)(H)	C(NH3)(CCH)(H)2	N(CCHH)(H)3	C(CHHN)(CHH)(H)	112.6380	2.093	3	112.6380	4.382	3	112.2572	3.501	4	109.6232	1.713	75	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:3:1:1:	4:1:1:1:	4:3:1:	N-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:N-3:O-1:	C(NH3)(CNO)(H)2	N(CCHH)(H)3	C(CHHN)(NCH)(O)	C(NH3)(CNO)(H)2	N(CCHH)(H)3	C(CHHN)(NCH)(O)	109.4607	1.116	70	109.4607	1.245	70	109.4748	1.242	71	109.6232	1.713	75	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:3:1:1:	4:1:1:1:	4:3:1:	N-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:N-3:O-1:	C(NH3)(CNO)(H)2	N(CCHH)(H)3	C(CHHN)(NHH)(O)	C(NH3)(CNO)(H)2	N(CCHH)(H)3	C(CHHN)(NHH)(O)	110.4630	0.000	1	110.4630	0.000	1	109.4748	1.242	71	109.6232	1.713	75	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:3:1:1:	4:1:1:1:	4:4:1:	N-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:	C(NH3)(CCH)(H)2	N(CCHH)(H)3	C(CHHN)2(H)	C(NH3)(CCH)(H)2	N(CCHH)(H)3	C(CHHN)2(H)	111.8270	0.000	1	111.8270	0.000	1	111.8270	0.000	1	112.0067	0.254	3	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:3:1:1:	4:1:1:1:	4:4:1:	N-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:N-4:H-1:	C(NH3)(CHN)(H)2	N(CCHH)(H)3	C(CHHN)(NCHH)(H)	C(NH3)(CHN)(H)2	N(CCHH)(H)3	C(CHHN)(NCHH)(H)	112.0965	0.678	2	112.0965	0.460	2	112.0965	0.460	2	112.0067	0.254	3	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:3:1:1:	4:1:1:1:	4:4:3:	N-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:	C(NH3)(CCC)(H)2	N(CCHH)(H)3	C(CHHN)2(CCC)	C(NH3)(CCC)(H)2	N(CCHH)(H)3	C(CHHN)2(CCC)	112.2860	0.000	1	112.2860	0.000	1	112.2860	0.000	1	112.2860	0.000	1	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:3:1:1:	4:1:1:1:	4:4:4:	N-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:N-4:	C(NH3)(CCN)(H)2	N(CCHH)(H)3	C(CHHN)(CH3)(NH3)	C(NH3)(CCN)(H)2	N(CCHH)(H)3	C(CHHN)(CH3)(NH3)	124.8200	0.000	1	124.8200	0.000	1	124.8200	0.000	1	124.8200	0.000	1	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:3:1:1:	4:4:1:1:	3:4:1:	N-4:C-3:H-1:H-1:	C[3x6]-4:C-4:H-1:H-1:	C-3:C-4:H-1:	C(NC[3x6]HH)(CCH)(H)2	N(C[3x6]C[6,6]3)(CCHH)(H)2	C(CC[6a]H)(CHHN)(H)	C(NC[3x6]HH)(CCH)(H)2	N(C[3x6]C[6,6]3)(CCHH)(H)2	C(CC[6a]H)(CHHN)(H)	112.5010	1.372	2	112.5010	1.882	2	112.5010	1.882	2	112.5010	1.882	2	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:3:1:1:	4:4:1:1:	4:1:1:	N-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:O-1:O-1:	C(NCHH)(COO)(H)2	N(CCHH)(CC3)(H)2	C(CHHN)(O)2	C(NCHH)(COO)(H)2	N(CCHH)(CC3)(H)2	C(CHHN)(O)2	110.0090	0.000	1	110.0090	0.000	1	111.5891	0.763	36	111.5891	0.763	36	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:3:1:1:	4:4:1:1:	4:1:1:	N-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:O-1:O-1:	C(NCHH)(COO)(H)2	N(CCHH)(CD3)(H)2	C(CHHN)(O)2	C(NCHH)(COO)(H)2	N(CCHH)(CD3)(H)2	C(CHHN)(O)2	111.8500	0.000	1	111.8500	0.000	1	111.5891	0.763	36	111.5891	0.763	36	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:3:1:1:	4:4:1:1:	4:1:1:	N-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:O-1:O-1:	C(NCHH)(COO)(H)2	N(CCHH)(CH3)(H)2	C(CHHN)(O)2	C(NCHH)(COO)(H)2	N(CCHH)(CH3)(H)2	C(CHHN)(O)2	111.5153	0.585	26	111.5153	0.342	26	111.5891	0.763	36	111.5891	0.763	36	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:3:1:1:	4:4:1:1:	4:1:1:	N-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:O-1:O-1:	C(NCHH)(COO)(H)2	N(CCHH)(CHHP)(H)2	C(CHHN)(O)2	C(NCHH)(COO)(H)2	N(CCHH)(CHHP)(H)2	C(CHHN)(O)2	112.0770	0.000	1	112.0770	0.000	1	111.5891	0.763	36	111.5891	0.763	36	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:3:1:1:	4:4:1:1:	4:1:1:	N-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:O-1:O-1:	C(NCHH)(COO)(H)2	N(CCHH)2(H)2	C(CHHN)(O)2	C(NCHH)(COO)(H)2	N(CCHH)2(H)2	C(CHHN)(O)2	111.8410	1.630	6	111.8410	2.656	6	111.5891	0.763	36	111.5891	0.763	36	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:3:1:1:	4:4:1:1:	4:1:1:	N-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:O-1:O-1:	C(NCHH)(COO)(H)2	N(CC[6a]HH)(CCHH)(H)2	C(CHHN)(O)2	C(NCHH)(COO)(H)2	N(CC[6a]HH)(CCHH)(H)2	C(CHHN)(O)2	112.8270	0.000	1	112.8270	0.000	1	111.5891	0.763	36	111.5891	0.763	36	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:3:1:1:	4:4:1:1:	4:2:1:	N-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:O-1:	C(NCHH)(COO)(H)2	N(CCHH)(CC3)(H)2	C(CHHN)(OH)(O)	C(NCHH)(COO)(H)2	N(CCHH)(CC3)(H)2	C(CHHN)(OH)(O)	110.6678	1.078	5	110.6678	1.163	5	110.6147	1.078	19	110.5558	1.006	22	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:3:1:1:	4:4:1:1:	4:2:1:	N-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:O-1:	C(NCHH)(COO)(H)2	N(CCHH)(CH3)(H)2	C(CHHN)(OH)(O)	C(NCHH)(COO)(H)2	N(CCHH)(CH3)(H)2	C(CHHN)(OH)(O)	111.0860	0.565	6	111.0860	0.320	6	110.6147	1.078	19	110.5558	1.006	22	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:3:1:1:	4:4:1:1:	4:2:1:	N-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:O-1:	C(NCHH)(COO)(H)2	N(CCHH)(CH3)(H)2	C(CHHN)(OZn)(O)	C(NCHH)(COO)(H)2	N(CCHH)(CH3)(H)2	C(CHHN)(OZn)(O)	111.6575	0.309	2	111.6575	0.095	2	110.6147	1.078	19	110.5558	1.006	22	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:3:1:1:	4:4:1:1:	4:2:1:	N-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:O-1:	C(NCHH)(COO)(H)2	N(CCHH)2(H)2	C(CHHN)(OC)(O)	C(NCHH)(COO)(H)2	N(CCHH)2(H)2	C(CHHN)(OC)(O)	110.4130	0.000	1	110.4130	0.000	1	110.6147	1.078	19	110.5558	1.006	22	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:3:1:1:	4:4:1:1:	4:2:1:	N-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:O-1:	C(NCHH)(COO)(H)2	N(CCHH)2(H)2	C(CHHN)(OH)(O)	C(NCHH)(COO)(H)2	N(CCHH)2(H)2	C(CHHN)(OH)(O)	109.4025	1.096	4	109.4025	1.201	4	110.6147	1.078	19	110.5558	1.006	22	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:3:1:1:	4:4:1:1:	4:2:1:	N-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:O-1:	C(NCHH)(COO)(H)2	N(CC[6a]HH)(CCHH)(H)2	C(CHHN)(OH)(O)	C(NCHH)(COO)(H)2	N(CC[6a]HH)(CCHH)(H)2	C(CHHN)(OH)(O)	110.4860	0.000	1	110.4860	0.000	1	110.6147	1.078	19	110.5558	1.006	22	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:3:1:1:	4:4:1:1:	4:2:1:	N-4:C-3:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:O-2:O-1:	C(NC[6]HH)(COO)(H)2	N(C[6]C[6]2H)(CCHH)(H)2	C(CHHN)(OH)(O)	C(NC[6]HH)(COO)(H)2	N(C[6]C[6]2H)(CCHH)(H)2	C(CHHN)(OH)(O)	110.1827	0.788	3	110.1827	0.621	3	110.1827	0.621	3	110.5558	1.006	22	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:3:1:1:	4:4:1:1:	4:2:2:	N-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:O-2:	C(NCHH)(COO)(H)2	N(CCHH)(CH3)(H)2	C(CHHN)(OZn)(OH)	C(NCHH)(COO)(H)2	N(CCHH)(CH3)(H)2	C(CHHN)(OZn)(OH)	113.2270	0.000	1	113.2270	0.000	1	113.2270	0.000	1	113.2270	0.000	1	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:3:1:1:	4:4:1:1:	4:3:1:	N-4:C-3:H-1:H-1:	B[5]-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(NB[5]HH)(CCH)(H)2	N(B[5]O[5]2H)(CCHH)(H)2	C(CHHN)(CHH)(H)	C(NB[5]HH)(CCH)(H)2	N(B[5]O[5]2H)(CCHH)(H)2	C(CHHN)(CHH)(H)	112.1590	0.000	1	112.1590	0.000	1	112.1590	0.000	1	111.4090	3.294	6	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:3:1:1:	4:4:1:1:	4:3:1:	N-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(NCHH)(CCH)(H)2	N(CCCH)(CCHH)(H)2	C(CHHN)(CHH)(H)	C(NCHH)(CCH)(H)2	N(CCCH)(CCHH)(H)2	C(CHHN)(CHH)(H)	111.5240	0.000	1	111.5240	0.000	1	112.0825	0.743	4	111.4090	3.294	6	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:3:1:1:	4:4:1:1:	4:3:1:	N-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(NCHH)(CCH)(H)2	N(CCHH)2(H)2	C(CHHN)(CCC)(H)	C(NCHH)(CCH)(H)2	N(CCHH)2(H)2	C(CHHN)(CCC)(H)	113.3630	0.000	1	113.3630	0.000	1	112.0825	0.743	4	111.4090	3.294	6	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:3:1:1:	4:4:1:1:	4:3:1:	N-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(NCHH)(CCH)(H)2	N(CC[5a]CH)(CCHH)(H)2	C(CHHN)(CHH)(H)	C(NCHH)(CCH)(H)2	N(CC[5a]CH)(CCHH)(H)2	C(CHHN)(CHH)(H)	111.7215	0.134	2	111.7215	0.018	2	112.0825	0.743	4	111.4090	3.294	6	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:3:1:1:	4:4:1:1:	4:3:1:	N-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:N-3:O-1:	C(NCHH)(CNO)(H)2	N(CCHH)2(H)2	C(CHHN)(NCH)(O)	C(NCHH)(CNO)(H)2	N(CCHH)2(H)2	C(CHHN)(NCH)(O)	107.9650	0.000	1	107.9650	0.000	1	107.9650	0.000	1	111.4090	3.294	6	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:3:1:1:	4:4:1:1:	4:4:1:	N-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-1:	C(NCHH)(CCO)(H)2	N(CCHH)2(H)2	C(CCHO)(CHHN)(O)	C(NCHH)(CCO)(H)2	N(CCHH)2(H)2	C(CCHO)(CHHN)(O)	111.7285	0.005	2	111.7285	0.000	2	111.7285	0.000	2	111.7285	0.000	2	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:3:1:1:	4:4:1:1:	4:4:3:	N-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:	C(NCHH)(CCC)(H)2	N(CCHH)2(H)2	C(CHHN)(CH3)(CCH)	C(NCHH)(CCC)(H)2	N(CCHH)2(H)2	C(CHHN)(CH3)(CCH)	109.2410	0.000	1	109.2410	0.000	1	109.2410	0.000	1	109.2410	0.000	1	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:3:1:1:	4:4:3:3:	4:3:1:	N-4:C-3:H-1:H-1:	C-4:C-4:C-3:C-3:	C-4:C-3:H-1:	C(NC3)(CCH)(H)2	N(CCHH)2(CCH)2	C(CHHN)(CCH)(H)	C(NC3)(CCH)(H)2	N(CCHH)2(CCH)2	C(CHHN)(CCH)(H)	122.4445	3.953	2	122.4445	15.630	2	122.4445	15.630	2	122.4445	15.630	2	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:3:1:1:	4:4:4:1:	3:4:1:	N-4:C-3:H-1:H-1:	C-4:C-4:C-4:H-1:	N-3:C-4:O-1:	C(NCCH)(CNO)(H)2	N(CCHH)3(H)	C(NC[6a]H)(CHHN)(O)	C(NCCH)(CNO)(H)2	N(CCHH)3(H)	C(NC[6a]H)(CHHN)(O)	110.2482	0.527	4	110.2482	0.278	4	110.2482	0.278	4	110.2482	0.278	4	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:3:1:1:	4:4:4:1:	4:1:1:	N-4:C-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:	C(NCCH)(CHH)(H)2	N(CC[6a]2H)(CCHH)2(H)	C(CHHN)(H)2	C(NCCH)(CHH)(H)2	N(CC[6a]2H)(CCHH)2(H)	C(CHHN)(H)2	114.6480	0.000	1	114.6480	0.000	1	114.6480	0.000	1	112.0276	3.511	44	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:3:1:1:	4:4:4:1:	4:1:1:	N-4:C-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:O-1:O-1:	C(NCCH)(COO)(H)2	N(CCHH)(CH3)2(H)	C(CHHN)(O)2	C(NCCH)(COO)(H)2	N(CCHH)(CH3)2(H)	C(CHHN)(O)2	113.5536	0.533	9	113.5536	0.284	9	111.9702	3.511	42	112.0276	3.511	44	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:3:1:1:	4:4:4:1:	4:1:1:	N-4:C-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:O-1:O-1:	C(NCCH)(COO)(H)2	N(CCHH)2(CHHP)(H)	C(CHHN)(O)2	C(NCCH)(COO)(H)2	N(CCHH)2(CHHP)(H)	C(CHHN)(O)2	110.5990	1.215	2	110.5990	1.476	2	111.9702	3.511	42	112.0276	3.511	44	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:3:1:1:	4:4:4:1:	4:1:1:	N-4:C-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:O-1:O-1:	C(NCCH)(COO)(H)2	N(CCHH)3(H)	C(CHHN)(O)2	C(NCCH)(COO)(H)2	N(CCHH)3(H)	C(CHHN)(O)2	111.6590	1.990	28	111.6590	3.959	28	111.9702	3.511	42	112.0276	3.511	44	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:3:1:1:	4:4:4:1:	4:1:1:	N-4:C-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:O-1:O-1:	C(NCCH)(COO)(H)2	N(CC[6a]HH)(CCHH)2(H)	C(CHHN)(O)2	C(NCCH)(COO)(H)2	N(CC[6a]HH)(CCHH)2(H)	C(CHHN)(O)2	110.5140	0.107	2	110.5140	0.012	2	111.9702	3.511	42	112.0276	3.511	44	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:3:1:1:	4:4:4:1:	4:1:1:	N-4:C-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:O-1:O-1:	C(NCCH)(COO)(H)2	N(CC[6a]HH)2(CCHH)(H)	C(CHHN)(O)2	C(NCCH)(COO)(H)2	N(CC[6a]HH)2(CCHH)(H)	C(CHHN)(O)2	112.0880	0.000	1	112.0880	0.000	1	111.9702	3.511	42	112.0276	3.511	44	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:3:1:1:	4:4:4:1:	4:1:1:	N-4:C-3:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:O-1:O-1:	C(NC[6]CH)(COO)(H)2	N(C[6]C[6]2C)(CCHH)2(H)	C(CHHN)(O)2	C(NC[6]CH)(COO)(H)2	N(C[6]C[6]2C)(CCHH)2(H)	C(CHHN)(O)2	111.8190	0.000	1	111.8190	0.000	1	111.8190	0.000	1	112.0276	3.511	44	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:3:1:1:	4:4:4:1:	4:2:1:	N-4:C-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:O-2:H-1:	C(NCCH)(CHO)(H)2	N(CC[6a]HH)(CCHH)2(H)	C(CHHN)(OC)(H)	C(NCCH)(CHO)(H)2	N(CC[6a]HH)(CCHH)2(H)	C(CHHN)(OC)(H)	111.4605	0.383	2	111.4605	0.146	2	111.4605	0.146	2	110.8595	2.777	31	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:3:1:1:	4:4:4:1:	4:2:1:	N-4:C-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:O-2:O-1:	C(NCCH)(COO)(H)2	N(CCCH)(CCHH)2(H)	C(CHHN)(OH)(O)	C(NCCH)(COO)(H)2	N(CCCH)(CCHH)2(H)	C(CHHN)(OH)(O)	113.8840	3.193	2	113.8840	10.197	2	110.8811	3.220	26	110.8595	2.777	31	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:3:1:1:	4:4:4:1:	4:2:1:	N-4:C-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:O-2:O-1:	C(NCCH)(COO)(H)2	N(CCHH)(CH3)2(H)	C(CHHN)(OH)(O)	C(NCCH)(COO)(H)2	N(CCHH)(CH3)2(H)	C(CHHN)(OH)(O)	111.2118	0.003	5	111.2118	0.000	5	110.8811	3.220	26	110.8595	2.777	31	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:3:1:1:	4:4:4:1:	4:2:1:	N-4:C-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:O-2:O-1:	C(NCCH)(COO)(H)2	N(CCHH)(CHHP)(CH3)(H)	C(CHHN)(OH)(O)	C(NCCH)(COO)(H)2	N(CCHH)(CHHP)(CH3)(H)	C(CHHN)(OH)(O)	111.3580	0.000	1	111.3580	0.000	1	110.8811	3.220	26	110.8595	2.777	31	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:3:1:1:	4:4:4:1:	4:2:1:	N-4:C-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:O-2:O-1:	C(NCCH)(COO)(H)2	N(CCHH)(CHHP)2(H)	C(CHHN)(OH)(O)	C(NCCH)(COO)(H)2	N(CCHH)(CHHP)2(H)	C(CHHN)(OH)(O)	109.8010	0.000	1	109.8010	0.000	1	110.8811	3.220	26	110.8595	2.777	31	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:3:1:1:	4:4:4:1:	4:2:1:	N-4:C-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:O-2:O-1:	C(NCCH)(COO)(H)2	N(CCHH)2(CC3)(H)	C(CHHN)(OH)(O)	C(NCCH)(COO)(H)2	N(CCHH)2(CC3)(H)	C(CHHN)(OH)(O)	109.6290	0.000	1	109.6290	0.000	1	110.8811	3.220	26	110.8595	2.777	31	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:3:1:1:	4:4:4:1:	4:2:1:	N-4:C-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:O-2:O-1:	C(NCCH)(COO)(H)2	N(CCHH)2(CHHP)(H)	C(CHHN)(OH)(O)	C(NCCH)(COO)(H)2	N(CCHH)2(CHHP)(H)	C(CHHN)(OH)(O)	109.8825	0.754	2	109.8825	0.569	2	110.8811	3.220	26	110.8595	2.777	31	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:3:1:1:	4:4:4:1:	4:2:1:	N-4:C-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:O-2:O-1:	C(NCCH)(COO)(H)2	N(CCHH)3(H)	C(CHHN)(OH)(O)	C(NCCH)(COO)(H)2	N(CCHH)3(H)	C(CHHN)(OH)(O)	110.3815	1.410	10	110.3815	1.987	10	110.8811	3.220	26	110.8595	2.777	31	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:3:1:1:	4:4:4:1:	4:2:1:	N-4:C-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:O-2:O-1:	C(NCCH)(COO)(H)2	N(CC[6]HH)(CCHH)2(H)	C(CHHN)(OH)(O)	C(NCCH)(COO)(H)2	N(CC[6]HH)(CCHH)2(H)	C(CHHN)(OH)(O)	108.6580	0.000	1	108.6580	0.000	1	110.8811	3.220	26	110.8595	2.777	31	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:3:1:1:	4:4:4:1:	4:2:1:	N-4:C-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:O-2:O-1:	C(NCCH)(COO)(H)2	N(CC[6a]HH)(CCHH)(CHHP)(H)	C(CHHN)(OH)(O)	C(NCCH)(COO)(H)2	N(CC[6a]HH)(CCHH)(CHHP)(H)	C(CHHN)(OH)(O)	109.8030	0.000	1	109.8030	0.000	1	110.8811	3.220	26	110.8595	2.777	31	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:3:1:1:	4:4:4:1:	4:2:1:	N-4:C-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:O-2:O-1:	C(NCCH)(COO)(H)2	N(CC[6a]HH)(CCHH)2(H)	C(CHHN)(OH)(O)	C(NCCH)(COO)(H)2	N(CC[6a]HH)(CCHH)2(H)	C(CHHN)(OH)(O)	113.1265	3.102	2	113.1265	9.623	2	110.8811	3.220	26	110.8595	2.777	31	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:3:1:1:	4:4:4:1:	4:2:1:	N-4:C-3:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:O-2:O-1:	C(NC[6]CH)(COO)(H)2	N(C[6]C[6]2C)(CCHH)2(H)	C(CHHN)(OH)(O)	C(NC[6]CH)(COO)(H)2	N(C[6]C[6]2C)(CCHH)2(H)	C(CHHN)(OH)(O)	109.9930	0.000	1	109.9930	0.000	1	110.2710	0.444	3	110.8595	2.777	31	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:3:1:1:	4:4:4:1:	4:2:1:	N-4:C-3:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:O-2:O-1:	C(NC[6]CH)(COO)(H)2	N(C[6]C[6]2H)(CCHH)2(H)	C(CHHN)(OH)(O)	C(NC[6]CH)(COO)(H)2	N(C[6]C[6]2H)(CCHH)2(H)	C(CHHN)(OH)(O)	110.4100	0.878	2	110.4100	0.771	2	110.2710	0.444	3	110.8595	2.777	31	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:3:1:1:	4:4:4:1:	4:2:2:	N-4:C-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:O-2:O-2:	C(NCCH)(COO)(H)2	N(CCHH)(CH3)2(H)	C(CHHN)(OCu)2	C(NCCH)(COO)(H)2	N(CCHH)(CH3)2(H)	C(CHHN)(OCu)2	112.6640	0.608	2	112.6640	0.370	2	112.6640	0.370	2	112.6640	0.370	2	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:3:1:1:	4:4:4:1:	4:3:1:	N-4:C-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:	C(NCCH)(CCH)(H)2	N(CCHH)2(CH3)(H)	C(CHHN)(CHH)(H)	C(NCCH)(CCH)(H)2	N(CCHH)2(CH3)(H)	C(CHHN)(CHH)(H)	113.0250	0.371	2	113.0250	0.137	2	112.7554	0.511	9	112.8758	0.599	10	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:3:1:1:	4:4:4:1:	4:3:1:	N-4:C-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:	C(NCCH)(CCH)(H)2	N(CCHH)3(H)	C(CHHN)(CHH)(H)	C(NCCH)(CCH)(H)2	N(CCHH)3(H)	C(CHHN)(CHH)(H)	112.6876	0.897	5	112.6876	0.804	5	112.7554	0.511	9	112.8758	0.599	10	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:3:1:1:	4:4:4:1:	4:3:1:	N-4:C-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:	C(NCCH)(CCH)(H)2	N(CC[6a]HH)(CCCH)(CCHH)(H)	C(CHHN)(CCC)(H)	C(NCCH)(CCH)(H)2	N(CC[6a]HH)(CCCH)(CCHH)(H)	C(CHHN)(CCC)(H)	113.1760	0.000	1	113.1760	0.000	1	112.7554	0.511	9	112.8758	0.599	10	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:3:1:1:	4:4:4:1:	4:3:1:	N-4:C-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:	C(NCCH)(CCH)(H)2	N(CC[6a]HH)(CCHH)2(H)	C(CHHN)(CHH)(H)	C(NCCH)(CCH)(H)2	N(CC[6a]HH)(CCHH)2(H)	C(CHHN)(CHH)(H)	112.1350	0.000	1	112.1350	0.000	1	112.7554	0.511	9	112.8758	0.599	10	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:3:1:1:	4:4:4:1:	4:3:1:	N-4:C-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:N-3:O-1:	C(NCCH)(CNO)(H)2	N(CCHH)3(H)	C(CHHN)(NHH)(O)	C(NCCH)(CNO)(H)2	N(CCHH)3(H)	C(CHHN)(NHH)(O)	113.9590	0.000	1	113.9590	0.000	1	113.9590	0.000	1	112.8758	0.599	10	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:3:1:1:	4:4:4:1:	4:4:3:	N-4:C-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-3:	C(NCCH)(CCC)(H)2	N(CCHH)2(CC3)(H)	C(CHHN)2(CHH)	C(NCCH)(CCC)(H)2	N(CCHH)2(CC3)(H)	C(CHHN)2(CHH)	110.2360	0.000	1	110.2360	0.000	1	110.2360	0.000	1	110.2360	0.000	1	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:3:1:1:	4:4:4:2:	4:1:1:	N-4:C-3:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:O-1:O-1:	C(NCCO)(COO)(H)2	N(CCHH)(CH3)2(OH)	C(CHHN)(O)2	C(NCCO)(COO)(H)2	N(CCHH)(CH3)2(OH)	C(CHHN)(O)2	114.2315	0.067	2	114.2315	0.005	2	114.2315	0.005	2	114.2315	0.005	2	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:3:1:1:	4:4:4:2:	4:3:1:	N-4:C-3:H-1:H-1:	C-4:C-4:C-4:N-2:	C-4:C-3:H-1:	C(NCCN)(CCH)(H)2	N(CCHH)(CH3)2(NS)	C(CHHN)(CHH)(H)	C(NCCN)(CCH)(H)2	N(CCHH)(CH3)2(NS)	C(CHHN)(CHH)(H)	112.6720	0.000	1	112.6720	0.000	1	112.7527	0.018	3	112.7527	0.018	3	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:3:1:1:	4:4:4:2:	4:3:1:	N-4:C-3:H-1:H-1:	C-4:C-4:C-4:N-2:	C-4:C-3:H-1:	C(NCCN)(CCH)(H)2	N(CCHH)2(CH3)(NS)	C(CHHN)(CHH)(H)	C(NCCN)(CCH)(H)2	N(CCHH)2(CH3)(NS)	C(CHHN)(CHH)(H)	112.7930	0.160	2	112.7930	0.026	2	112.7527	0.018	3	112.7527	0.018	3	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:3:1:1:	4:4:4:3:	4:3:1:	N-4:C-3:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:C-3:H-1:	C(NC3)(CCH)(H)2	N(CCHH)2(CH3)(CCH)	C(CHHN)(CCH)(H)	C(NC3)(CCH)(H)2	N(CCHH)2(CH3)(CCH)	C(CHHN)(CCH)(H)	115.9910	0.000	1	115.9910	0.000	1	116.8055	1.327	2	116.8055	1.327	2	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:3:1:1:	4:4:4:3:	4:3:1:	N-4:C-3:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:C-3:H-1:	C(NC3)(CCH)(H)2	N(CCHH)3(CCH)	C(CHHN)(CCH)(H)	C(NC3)(CCH)(H)2	N(CCHH)3(CCH)	C(CHHN)(CCH)(H)	117.6200	0.000	1	117.6200	0.000	1	116.8055	1.327	2	116.8055	1.327	2	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:3:1:1:	4:4:4:4:	4:1:1:	N-4:C-3:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:	C(NC3)(CHH)(H)2	N(CCHH)4	C(CHHN)(H)2	C(NC3)(CHH)(H)2	N(CCHH)4	C(CHHN)(H)2	115.6621	1.981	10	115.6621	3.923	10	115.6621	3.923	10	117.2041	2.166	42	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:3:1:1:	4:4:4:4:	4:1:1:	N-4:C-3:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:O-1:O-1:	C(NC3)(COO)(H)2	N(CCHH)(CH3)3	C(CHHN)(O)2	C(NC3)(COO)(H)2	N(CCHH)(CH3)3	C(CHHN)(O)2	117.6859	0.848	32	117.6859	0.719	32	117.6859	0.719	32	117.2041	2.166	42	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:3:1:1:	4:4:4:4:	4:2:1:	N-4:C-3:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:N-2:O-1:	C(NC3)(CNO)(H)2	N(CCHH)(CH3)3	C(CHHN)(NH)(O)	C(NC3)(CNO)(H)2	N(CCHH)(CH3)3	C(CHHN)(NH)(O)	115.5340	0.000	1	115.5340	0.000	1	115.1963	0.113	3	116.3789	1.569	19	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:3:1:1:	4:4:4:4:	4:2:1:	N-4:C-3:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:N-2:O-1:	C(NC3)(CNO)(H)2	N(CCHH)(CH3)3	C(CHHN)(NN)(O)	C(NC3)(CNO)(H)2	N(CCHH)(CH3)3	C(CHHN)(NN)(O)	115.0275	0.234	2	115.0275	0.055	2	115.1963	0.113	3	116.3789	1.569	19	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:3:1:1:	4:4:4:4:	4:2:1:	N-4:C-3:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:O-2:O-1:	C(NC3)(COO)(H)2	N(CCHH)(CH3)3	C(CHHN)(OCu)(O)	C(NC3)(COO)(H)2	N(CCHH)(CH3)3	C(CHHN)(OCu)(O)	118.1670	0.000	1	118.1670	0.000	1	116.6006	1.535	16	116.3789	1.569	19	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:3:1:1:	4:4:4:4:	4:2:1:	N-4:C-3:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:O-2:O-1:	C(NC3)(COO)(H)2	N(CCHH)(CH3)3	C(CHHN)(OH)(O)	C(NC3)(COO)(H)2	N(CCHH)(CH3)3	C(CHHN)(OH)(O)	115.9494	0.814	9	115.9494	0.663	9	116.6006	1.535	16	116.3789	1.569	19	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:3:1:1:	4:4:4:4:	4:2:1:	N-4:C-3:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:O-2:O-1:	C(NC3)(COO)(H)2	N(CCHH)2(CH3)2	C(CHHN)(OH)(O)	C(NC3)(COO)(H)2	N(CCHH)2(CH3)2	C(CHHN)(OH)(O)	117.3163	1.295	6	117.3163	1.677	6	116.6006	1.535	16	116.3789	1.569	19	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:3:1:1:	4:4:4:4:	4:2:2:	N-4:C-3:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:O-2:O-2:	C(NC3)(COO)(H)2	N(CCHH)(CH3)3	C(CHHN)(OCu)2	C(NC3)(COO)(H)2	N(CCHH)(CH3)3	C(CHHN)(OCu)2	117.2177	0.352	6	117.2177	0.124	6	117.3261	0.185	7	117.3261	0.185	7	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:3:1:1:	4:4:4:4:	4:2:2:	N-4:C-3:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:O-2:O-2:	C(NC3)(COO)(H)2	N(CCHH)(CH3)3	C(CHHN)(OFe)2	C(NC3)(COO)(H)2	N(CCHH)(CH3)3	C(CHHN)(OFe)2	117.9770	0.000	1	117.9770	0.000	1	117.3261	0.185	7	117.3261	0.185	7	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:3:1:1:	4:4:4:4:	4:3:1:	N-4:C-3:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:C-3:H-1:	C(NC3)(CCH)(H)2	N(CCHH)(CH3)3	C(CHHN)(CHH)(H)	C(NC3)(CCH)(H)2	N(CCHH)(CH3)3	C(CHHN)(CHH)(H)	102.7026	7.093	3	102.7026	50.306	3	108.9830	68.077	6	111.5754	43.176	11	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:3:1:1:	4:4:4:4:	4:3:1:	N-4:C-3:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:C-3:H-1:	C(NC3)(CCH)(H)2	N(CCHH)2(CH3)2	C(CHHN)(CHH)(H)	C(NC3)(CCH)(H)2	N(CCHH)2(CH3)2	C(CHHN)(CHH)(H)	114.0860	0.000	1	114.0860	0.000	1	108.9830	68.077	6	111.5754	43.176	11	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:3:1:1:	4:4:4:4:	4:3:1:	N-4:C-3:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:C-3:H-1:	C(NC3)(CCH)(H)2	N(CCHH)4	C(CHHN)(CCH)(H)	C(NC3)(CCH)(H)2	N(CCHH)4	C(CHHN)(CCH)(H)	115.8520	1.018	2	115.8520	1.037	2	108.9830	68.077	6	111.5754	43.176	11	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:3:1:1:	4:4:4:4:	4:3:1:	N-4:C-3:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:N-3:O-1:	C(NC3)(CNO)(H)2	N(CCHH)(CH3)3	C(CHHN)(NHH)(O)	C(NC3)(CNO)(H)2	N(CCHH)(CH3)3	C(CHHN)(NHH)(O)	113.3840	0.000	1	113.3840	0.000	1	114.6864	0.666	5	111.5754	43.176	11	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:3:1:1:	4:4:4:4:	4:3:1:	N-4:C-3:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:N-3:O-1:	C(NC3)(CNO)(H)2	N(CCHH)(CH3)3	C(CHHN)(NHN)(O)	C(NC3)(CNO)(H)2	N(CCHH)(CH3)3	C(CHHN)(NHN)(O)	115.2233	0.054	3	115.2233	0.003	3	114.6864	0.666	5	111.5754	43.176	11	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:3:1:1:	4:4:4:4:	4:3:1:	N-4:C-3:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:N-3:O-1:	C(NC3)(CNO)(H)2	N(CCHH)(CH3)3	C(CHHN)(NHO)(O)	C(NC3)(CNO)(H)2	N(CCHH)(CH3)3	C(CHHN)(NHO)(O)	114.3780	0.000	1	114.3780	0.000	1	114.6864	0.666	5	111.5754	43.176	11	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:3:2:2:	4:4:4:1:	4:3:1:	N-4:C-3:C-2:C-2:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:	C(NCCH)(CCH)(CC)2	N(CC3)(CH3)2(H)	C(CCCN)(CCH)(H)	C(NCCH)(CCH)(CC)2	N(CC3)(CH3)2(H)	C(CCCN)(CCH)(H)	108.2920	0.000	1	108.2920	0.000	1	108.2920	0.000	1	108.2920	0.000	1	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:3:3:1:	4:1:1:1:	4:2:1:	N-4:C-3:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:N-2:O-1:	C(NH3)(CNO)2(H)	N(CCCH)(H)3	C(CCHN)(NC)(O)	C(NH3)(CNO)2(H)	N(CCCH)(H)3	C(CCHN)(NC)(O)	109.4125	0.230	2	109.4125	0.053	2	109.4125	0.053	2	109.4125	0.053	2	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:3:4:1:	4:1:1:1:	3:4:1:	C-4:C-3:N-4:H-1:	C-4:H-1:H-1:H-1:	N[5]-3:C-4:O-1:	C(CC[6a]HH)(CN[5]O)(NH3)(H)	N(CCCH)(H)3	C(N[5]C[5]2)(CCHN)(O)	C(CC[6a]HH)(CN[5]O)(NH3)(H)	N(CCCH)(H)3	C(N[5]C[5]2)(CCHN)(O)	105.9090	0.000	1	105.9090	0.000	1	105.9090	0.000	1	105.9090	0.000	1	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:4:3:1:	3:4:1:1:	2:4:4:	N-4:C-4:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	N-2:C-4:C-4:	C(NC[6a]HH)(CH3)(CCN)(H)	N(C[6a]C[6a]2)(CCCH)(H)2	C(NC[6a])(CCHN)(CH3)	C(NC[6a]HH)(CH3)(CCN)(H)	N(C[6a]C[6a]2)(CCCH)(H)2	C(NC[6a])(CCHN)(CH3)	105.9460	0.008	2	105.9460	0.000	2	105.9460	0.000	2	105.9460	0.000	2	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:4:3:1:	4:1:1:1:	4:1:1:	C-4:N-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:O-1:O-1:	C(CCCH)(NH3)(COO)(H)	N(CCCH)(H)3	C(CCHN)(O)2	C(CCCH)(NH3)(COO)(H)	N(CCCH)(H)3	C(CCHN)(O)2	108.7379	0.970	39	108.7379	0.941	39	109.3639	0.845	450	109.3631	0.844	451	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:4:3:1:	4:1:1:1:	4:1:1:	C-4:N-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:O-1:O-1:	C(CCHH)(NH3)(COO)(H)	N(CCCH)(H)3	C(CCHN)(O)2	C(CCHH)(NH3)(COO)(H)	N(CCCH)(H)3	C(CCHN)(O)2	109.2578	0.811	149	109.2578	0.658	149	109.3639	0.845	450	109.3631	0.844	451	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:4:3:1:	4:1:1:1:	4:1:1:	C-4:N-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:O-1:O-1:	C(CCHO)(NH3)(COO)(H)	N(CCCH)(H)3	C(CCHN)(O)2	C(CCHO)(NH3)(COO)(H)	N(CCCH)(H)3	C(CCHN)(O)2	109.1210	1.089	21	109.1210	1.185	21	109.3639	0.845	450	109.3631	0.844	451	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:4:3:1:	4:1:1:1:	4:1:1:	C-4:N-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:O-1:O-1:	C(CC[5]HH)(NH3)(COO)(H)	N(CCCH)(H)3	C(CCHN)(O)2	C(CC[5]HH)(NH3)(COO)(H)	N(CCCH)(H)3	C(CCHN)(O)2	109.2918	1.247	28	109.2918	1.554	28	109.3639	0.845	450	109.3631	0.844	451	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:4:3:1:	4:1:1:1:	4:1:1:	C-4:N-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:O-1:O-1:	C(CC[5a]HH)(NH3)(COO)(H)	N(CCCH)(H)3	C(CCHN)(O)2	C(CC[5a]HH)(NH3)(COO)(H)	N(CCCH)(H)3	C(CCHN)(O)2	109.7900	0.592	32	109.7900	0.350	32	109.3639	0.845	450	109.3631	0.844	451	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:4:3:1:	4:1:1:1:	4:1:1:	C-4:N-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:O-1:O-1:	C(CC[6]HH)(NH3)(COO)(H)	N(CCCH)(H)3	C(CCHN)(O)2	C(CC[6]HH)(NH3)(COO)(H)	N(CCCH)(H)3	C(CCHN)(O)2	110.2660	0.000	1	110.2660	0.000	1	109.3639	0.845	450	109.3631	0.844	451	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:4:3:1:	4:1:1:1:	4:1:1:	C-4:N-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:O-1:O-1:	C(CC[6a]HH)(NH3)(COO)(H)	N(CCCH)(H)3	C(CCHN)(O)2	C(CC[6a]HH)(NH3)(COO)(H)	N(CCCH)(H)3	C(CCHN)(O)2	109.0852	1.070	55	109.0852	1.145	55	109.3639	0.845	450	109.3631	0.844	451	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:4:3:1:	4:1:1:1:	4:1:1:	C-4:N-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:O-1:O-1:	C(CC[6a]HO)(NH3)(COO)(H)	N(CCCH)(H)3	C(CCHN)(O)2	C(CC[6a]HO)(NH3)(COO)(H)	N(CCCH)(H)3	C(CCHN)(O)2	110.9820	0.000	1	110.9820	0.000	1	109.3639	0.845	450	109.3631	0.844	451	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:4:3:1:	4:1:1:1:	4:1:1:	C-4:N-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:O-1:O-1:	C(CH3)(NH3)(COO)(H)	N(CCCH)(H)3	C(CCHN)(O)2	C(CH3)(NH3)(COO)(H)	N(CCCH)(H)3	C(CCHN)(O)2	109.7200	0.543	59	109.7200	0.295	59	109.3639	0.845	450	109.3631	0.844	451	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:4:3:1:	4:1:1:1:	4:1:1:	C-4:N-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:O-1:O-1:	C(CHHO)(NH3)(COO)(H)	N(CCCH)(H)3	C(CCHN)(O)2	C(CHHO)(NH3)(COO)(H)	N(CCCH)(H)3	C(CCHN)(O)2	109.8388	0.792	49	109.8388	0.628	49	109.3639	0.845	450	109.3631	0.844	451	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:4:3:1:	4:1:1:1:	4:1:1:	C-4:N-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:O-1:O-1:	C(CHHS)(NH3)(COO)(H)	N(CCCH)(H)3	C(CCHN)(O)2	C(CHHS)(NH3)(COO)(H)	N(CCCH)(H)3	C(CCHN)(O)2	109.5039	0.816	16	109.5039	0.666	16	109.3639	0.845	450	109.3631	0.844	451	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:4:3:1:	4:1:1:1:	4:1:1:	C[6]-4:N-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:O-1:O-1:	C(C[6]C[6]O[6]H)(NH3)(COO)(H)	N(CC[6]CH)(H)3	C(CC[6]HN)(O)2	C(C[6]C[6]O[6]H)(NH3)(COO)(H)	N(CC[6]CH)(H)3	C(CC[6]HN)(O)2	108.9890	0.000	1	108.9890	0.000	1	108.9890	0.000	1	109.3631	0.844	451	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:4:3:1:	4:1:1:1:	4:2:1:	C-4:N-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:N-2:O-1:	C(CCHH)(NH3)(CNO)(H)	N(CCCH)(H)3	C(CCHN)(NC)(O)	C(CCHH)(NH3)(CNO)(H)	N(CCCH)(H)3	C(CCHN)(NC)(O)	108.2883	0.171	3	108.2883	0.029	3	108.1487	0.255	6	107.8875	1.274	268	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:4:3:1:	4:1:1:1:	4:2:1:	C-4:N-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:N-2:O-1:	C(CCHH)(NH3)(CNO)(H)	N(CCCH)(H)3	C(CCHN)(NH)(O)	C(CCHH)(NH3)(CNO)(H)	N(CCCH)(H)3	C(CCHN)(NH)(O)	107.5985	0.301	2	107.5985	0.090	2	108.1487	0.255	6	107.8875	1.274	268	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:4:3:1:	4:1:1:1:	4:2:1:	C-4:N-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:N-2:O-1:	C(CHHO)(NH3)(CNO)(H)	N(CCCH)(H)3	C(CCHN)(NC)(O)	C(CHHO)(NH3)(CNO)(H)	N(CCCH)(H)3	C(CCHN)(NC)(O)	108.8300	0.000	1	108.8300	0.000	1	108.1487	0.255	6	107.8875	1.274	268	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:4:3:1:	4:1:1:1:	4:2:1:	C-4:N-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:O-2:O-1:	C(CBrHH)(NH3)(COO)(H)	N(CCCH)(H)3	C(CCHN)(OC)(O)	C(CBrHH)(NH3)(COO)(H)	N(CCCH)(H)3	C(CCHN)(OC)(O)	108.4010	0.000	1	108.4010	0.000	1	107.8888	1.300	259	107.8875	1.274	268	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:4:3:1:	4:1:1:1:	4:2:1:	C-4:N-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:O-2:O-1:	C(CCCH)(NH3)(COO)(H)	N(CCCH)(H)3	C(CCHN)(OC)(O)	C(CCCH)(NH3)(COO)(H)	N(CCCH)(H)3	C(CCHN)(OC)(O)	107.0750	0.000	1	107.0750	0.000	1	107.8888	1.300	259	107.8875	1.274	268	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:4:3:1:	4:1:1:1:	4:2:1:	C-4:N-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:O-2:O-1:	C(CCCH)(NH3)(COO)(H)	N(CCCH)(H)3	C(CCHN)(OH)(O)	C(CCCH)(NH3)(COO)(H)	N(CCCH)(H)3	C(CCHN)(OH)(O)	107.6217	1.255	20	107.6217	1.574	20	107.8888	1.300	259	107.8875	1.274	268	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:4:3:1:	4:1:1:1:	4:2:1:	C-4:N-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:O-2:O-1:	C(CCCH)(NH3)(COO)(H)	N(CCCH)(H)3	C(CCHN)(OZn)(O)	C(CCCH)(NH3)(COO)(H)	N(CCCH)(H)3	C(CCHN)(OZn)(O)	107.9380	0.000	1	107.9380	0.000	1	107.8888	1.300	259	107.8875	1.274	268	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:4:3:1:	4:1:1:1:	4:2:1:	C-4:N-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:O-2:O-1:	C(CCCO)(NH3)(COO)(H)	N(CCCH)(H)3	C(CCHN)(OC)(O)	C(CCCO)(NH3)(COO)(H)	N(CCCH)(H)3	C(CCHN)(OC)(O)	110.2220	0.000	1	110.2220	0.000	1	107.8888	1.300	259	107.8875	1.274	268	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:4:3:1:	4:1:1:1:	4:2:1:	C-4:N-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:O-2:O-1:	C(CCHH)(NH3)(COO)(H)	N(CCCH)(H)3	C(CCHN)(OC)(O)	C(CCHH)(NH3)(COO)(H)	N(CCCH)(H)3	C(CCHN)(OC)(O)	106.7320	0.000	1	106.7320	0.000	1	107.8888	1.300	259	107.8875	1.274	268	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:4:3:1:	4:1:1:1:	4:2:1:	C-4:N-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:O-2:O-1:	C(CCHH)(NH3)(COO)(H)	N(CCCH)(H)3	C(CCHN)(OCd)(O)	C(CCHH)(NH3)(COO)(H)	N(CCCH)(H)3	C(CCHN)(OCd)(O)	107.5180	0.891	2	107.5180	0.794	2	107.8888	1.300	259	107.8875	1.274	268	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:4:3:1:	4:1:1:1:	4:2:1:	C-4:N-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:O-2:O-1:	C(CCHH)(NH3)(COO)(H)	N(CCCH)(H)3	C(CCHN)(OH)(O)	C(CCHH)(NH3)(COO)(H)	N(CCCH)(H)3	C(CCHN)(OH)(O)	107.5428	1.186	87	107.5428	1.406	87	107.8888	1.300	259	107.8875	1.274	268	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:4:3:1:	4:1:1:1:	4:2:1:	C-4:N-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:O-2:O-1:	C(CCHO)(NH3)(COO)(H)	N(CCCH)(H)3	C(CCHN)(OH)(O)	C(CCHO)(NH3)(COO)(H)	N(CCCH)(H)3	C(CCHN)(OH)(O)	108.3730	0.345	10	108.3730	0.119	10	107.8888	1.300	259	107.8875	1.274	268	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:4:3:1:	4:1:1:1:	4:2:1:	C-4:N-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:O-2:O-1:	C(CC[5]HH)(NH3)(COO)(H)	N(CCCH)(H)3	C(CCHN)(OC)(O)	C(CC[5]HH)(NH3)(COO)(H)	N(CCCH)(H)3	C(CCHN)(OC)(O)	110.5390	0.000	1	110.5390	0.000	1	107.8888	1.300	259	107.8875	1.274	268	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:4:3:1:	4:1:1:1:	4:2:1:	C-4:N-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:O-2:O-1:	C(CC[5]HH)(NH3)(COO)(H)	N(CCCH)(H)3	C(CCHN)(OCd)(O)	C(CC[5]HH)(NH3)(COO)(H)	N(CCCH)(H)3	C(CCHN)(OCd)(O)	109.4040	1.691	2	109.4040	2.861	2	107.8888	1.300	259	107.8875	1.274	268	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:4:3:1:	4:1:1:1:	4:2:1:	C-4:N-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:O-2:O-1:	C(CC[5]HH)(NH3)(COO)(H)	N(CCCH)(H)3	C(CCHN)(OH)(O)	C(CC[5]HH)(NH3)(COO)(H)	N(CCCH)(H)3	C(CCHN)(OH)(O)	107.7953	1.173	7	107.7953	1.376	7	107.8888	1.300	259	107.8875	1.274	268	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:4:3:1:	4:1:1:1:	4:2:1:	C-4:N-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:O-2:O-1:	C(CC[5a]HH)(NH3)(COO)(H)	N(CCCH)(H)3	C(CCHN)(OH)(O)	C(CC[5a]HH)(NH3)(COO)(H)	N(CCCH)(H)3	C(CCHN)(OH)(O)	107.8550	0.602	3	107.8550	0.362	3	107.8888	1.300	259	107.8875	1.274	268	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:4:3:1:	4:1:1:1:	4:2:1:	C-4:N-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:O-2:O-1:	C(CC[6a]HH)(NH3)(COO)(H)	N(CCCH)(H)3	C(CCHN)(OC)(O)	C(CC[6a]HH)(NH3)(COO)(H)	N(CCCH)(H)3	C(CCHN)(OC)(O)	108.0105	0.454	8	108.0105	0.206	8	107.8888	1.300	259	107.8875	1.274	268	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:4:3:1:	4:1:1:1:	4:2:1:	C-4:N-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:O-2:O-1:	C(CC[6a]HH)(NH3)(COO)(H)	N(CCCH)(H)3	C(CCHN)(OH)(O)	C(CC[6a]HH)(NH3)(COO)(H)	N(CCCH)(H)3	C(CCHN)(OH)(O)	107.6620	0.671	39	107.6620	0.450	39	107.8888	1.300	259	107.8875	1.274	268	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:4:3:1:	4:1:1:1:	4:2:1:	C-4:N-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:O-2:O-1:	C(CC[6a]HO)(NH3)(COO)(H)	N(CCCH)(H)3	C(CCHN)(OH)(O)	C(CC[6a]HO)(NH3)(COO)(H)	N(CCCH)(H)3	C(CCHN)(OH)(O)	107.8510	0.000	1	107.8510	0.000	1	107.8888	1.300	259	107.8875	1.274	268	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:4:3:1:	4:1:1:1:	4:2:1:	C-4:N-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:O-2:O-1:	C(CH3)(NH3)(COO)(H)	N(CCCH)(H)3	C(CCHN)(OC)(O)	C(CH3)(NH3)(COO)(H)	N(CCCH)(H)3	C(CCHN)(OC)(O)	107.4850	1.038	2	107.4850	1.078	2	107.8888	1.300	259	107.8875	1.274	268	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:4:3:1:	4:1:1:1:	4:2:1:	C-4:N-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:O-2:O-1:	C(CH3)(NH3)(COO)(H)	N(CCCH)(H)3	C(CCHN)(OCo)(O)	C(CH3)(NH3)(COO)(H)	N(CCCH)(H)3	C(CCHN)(OCo)(O)	109.6650	0.000	1	109.6650	0.000	1	107.8888	1.300	259	107.8875	1.274	268	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:4:3:1:	4:1:1:1:	4:2:1:	C-4:N-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:O-2:O-1:	C(CH3)(NH3)(COO)(H)	N(CCCH)(H)3	C(CCHN)(OH)(O)	C(CH3)(NH3)(COO)(H)	N(CCCH)(H)3	C(CCHN)(OH)(O)	107.5485	1.244	19	107.5485	1.548	19	107.8888	1.300	259	107.8875	1.274	268	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:4:3:1:	4:1:1:1:	4:2:1:	C-4:N-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:O-2:O-1:	C(CH3)(NH3)(COO)(H)	N(CCCH)(H)3	C(CCHN)(OZn)(O)	C(CH3)(NH3)(COO)(H)	N(CCCH)(H)3	C(CCHN)(OZn)(O)	108.5750	0.115	2	108.5750	0.013	2	107.8888	1.300	259	107.8875	1.274	268	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:4:3:1:	4:1:1:1:	4:2:1:	C-4:N-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:O-2:O-1:	C(CHHO)(NH3)(COO)(H)	N(CCCH)(H)3	C(CCHN)(OC)(O)	C(CHHO)(NH3)(COO)(H)	N(CCCH)(H)3	C(CCHN)(OC)(O)	107.1360	0.000	1	107.1360	0.000	1	107.8888	1.300	259	107.8875	1.274	268	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:4:3:1:	4:1:1:1:	4:2:1:	C-4:N-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:O-2:O-1:	C(CHHO)(NH3)(COO)(H)	N(CCCH)(H)3	C(CCHN)(OH)(O)	C(CHHO)(NH3)(COO)(H)	N(CCCH)(H)3	C(CCHN)(OH)(O)	108.3337	0.697	11	108.3337	0.485	11	107.8888	1.300	259	107.8875	1.274	268	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:4:3:1:	4:1:1:1:	4:2:1:	C-4:N-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:O-2:O-1:	C(CHHO)(NH3)(COO)(H)	N(CCCH)(H)3	C(CCHN)(ORe)(O)	C(CHHO)(NH3)(COO)(H)	N(CCCH)(H)3	C(CCHN)(ORe)(O)	108.3880	0.000	1	108.3880	0.000	1	107.8888	1.300	259	107.8875	1.274	268	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:4:3:1:	4:1:1:1:	4:2:1:	C-4:N-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:O-2:O-1:	C(CHHP)(NH3)(COO)(H)	N(CCCH)(H)3	C(CCHN)(OH)(O)	C(CHHP)(NH3)(COO)(H)	N(CCCH)(H)3	C(CCHN)(OH)(O)	109.0170	0.000	1	109.0170	0.000	1	107.8888	1.300	259	107.8875	1.274	268	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:4:3:1:	4:1:1:1:	4:2:1:	C-4:N-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:O-2:O-1:	C(CHHS)(NH3)(COO)(H)	N(CCCH)(H)3	C(CCHN)(OC)(O)	C(CHHS)(NH3)(COO)(H)	N(CCCH)(H)3	C(CCHN)(OC)(O)	109.4960	0.000	1	109.4960	0.000	1	107.8888	1.300	259	107.8875	1.274	268	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:4:3:1:	4:1:1:1:	4:2:1:	C-4:N-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:O-2:O-1:	C(CHHS)(NH3)(COO)(H)	N(CCCH)(H)3	C(CCHN)(OH)(O)	C(CHHS)(NH3)(COO)(H)	N(CCCH)(H)3	C(CCHN)(OH)(O)	108.7799	1.128	34	108.7799	1.273	34	107.8888	1.300	259	107.8875	1.274	268	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:4:3:1:	4:1:1:1:	4:2:1:	C-4:N-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:O-2:O-1:	C(CSeHH)(NH3)(COO)(H)	N(CCCH)(H)3	C(CCHN)(OH)(O)	C(CSeHH)(NH3)(COO)(H)	N(CCCH)(H)3	C(CCHN)(OH)(O)	107.7360	0.000	1	107.7360	0.000	1	107.8888	1.300	259	107.8875	1.274	268	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:4:3:1:	4:1:1:1:	4:2:1:	C[3]-4:N-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:O-2:O-1:	C(C[3]C[3]2H)(NH3)(COO)(H)	N(CC[3]CH)(H)3	C(CC[3]HN)(OH)(O)	C(C[3]C[3]2H)(NH3)(COO)(H)	N(CC[3]CH)(H)3	C(CC[3]HN)(OH)(O)	106.1460	0.000	1	106.1460	0.000	1	106.1460	0.000	1	107.8875	1.274	268	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:4:3:1:	4:1:1:1:	4:2:1:	C[5]-4:N-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:O-2:O-1:	C(C[5]C[5]2Mn)(NH3)(COO)(H)	N(CC[5]CH)(H)3	C(CC[5]HN)(OH)(O)	C(C[5]C[5]2Mn)(NH3)(COO)(H)	N(CC[5]CH)(H)3	C(CC[5]HN)(OH)(O)	108.0210	0.000	1	108.0210	0.000	1	107.8095	0.089	2	107.8875	1.274	268	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:4:3:1:	4:1:1:1:	4:2:1:	C[5]-4:N-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:O-2:O-1:	C(C[5]C[5]2Re)(NH3)(COO)(H)	N(CC[5]CH)(H)3	C(CC[5]HN)(OH)(O)	C(C[5]C[5]2Re)(NH3)(COO)(H)	N(CC[5]CH)(H)3	C(CC[5]HN)(OH)(O)	107.5980	0.000	1	107.5980	0.000	1	107.8095	0.089	2	107.8875	1.274	268	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:4:3:1:	4:1:1:1:	4:2:2:	C-4:N-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:O-2:O-2:	C(CCHH)(NH3)(COO)(H)	N(CCCH)(H)3	C(CCHN)(ONb)(OC)	C(CCHH)(NH3)(COO)(H)	N(CCCH)(H)3	C(CCHN)(ONb)(OC)	109.4030	0.000	1	109.4030	0.000	1	109.4030	0.000	1	109.4030	0.000	1	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:4:3:1:	4:1:1:1:	4:3:1:	C-4:N-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:N-3:O-1:	C(CCCH)(NH3)(CNO)(H)	N(CCCH)(H)3	C(CCHN)(NCH)(O)	C(CCCH)(NH3)(CNO)(H)	N(CCCH)(H)3	C(CCHN)(NCH)(O)	106.9287	0.979	11	106.9287	0.959	11	107.5401	1.071	97	107.5401	1.071	97	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:4:3:1:	4:1:1:1:	4:3:1:	C-4:N-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:N-3:O-1:	C(CCHH)(NH3)(CNO)(H)	N(CCCH)(H)3	C(CCHN)(NCH)(O)	C(CCHH)(NH3)(CNO)(H)	N(CCCH)(H)3	C(CCHN)(NCH)(O)	107.3636	0.920	27	107.3636	0.846	27	107.5401	1.071	97	107.5401	1.071	97	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:4:3:1:	4:1:1:1:	4:3:1:	C-4:N-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:N-3:O-1:	C(CCHH)(NH3)(CNO)(H)	N(CCCH)(H)3	C(CCHN)(NHH)(O)	C(CCHH)(NH3)(CNO)(H)	N(CCCH)(H)3	C(CCHN)(NHH)(O)	106.8860	0.392	2	106.8860	0.153	2	107.5401	1.071	97	107.5401	1.071	97	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:4:3:1:	4:1:1:1:	4:3:1:	C-4:N-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:N-3:O-1:	C(CCHO)(NH3)(CNO)(H)	N(CCCH)(H)3	C(CCHN)(NCH)(O)	C(CCHO)(NH3)(CNO)(H)	N(CCCH)(H)3	C(CCHN)(NCH)(O)	108.2940	0.000	1	108.2940	0.000	1	107.5401	1.071	97	107.5401	1.071	97	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:4:3:1:	4:1:1:1:	4:3:1:	C-4:N-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:N-3:O-1:	C(CC[5a]HH)(NH3)(CNO)(H)	N(CCCH)(H)3	C(CCHN)(NCH)(O)	C(CC[5a]HH)(NH3)(CNO)(H)	N(CCCH)(H)3	C(CCHN)(NCH)(O)	107.9843	0.496	4	107.9843	0.246	4	107.5401	1.071	97	107.5401	1.071	97	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:4:3:1:	4:1:1:1:	4:3:1:	C-4:N-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:N-3:O-1:	C(CC[6a]2H)(NH3)(CNO)(H)	N(CCCH)(H)3	C(CCHN)(NCH)(O)	C(CC[6a]2H)(NH3)(CNO)(H)	N(CCCH)(H)3	C(CCHN)(NCH)(O)	106.9280	0.000	1	106.9280	0.000	1	107.5401	1.071	97	107.5401	1.071	97	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:4:3:1:	4:1:1:1:	4:3:1:	C-4:N-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:N-3:O-1:	C(CC[6a]HH)(NH3)(CNO)(H)	N(CCCH)(H)3	C(CCHN)(NCH)(O)	C(CC[6a]HH)(NH3)(CNO)(H)	N(CCCH)(H)3	C(CCHN)(NCH)(O)	107.4770	1.031	14	107.4770	1.064	14	107.5401	1.071	97	107.5401	1.071	97	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:4:3:1:	4:1:1:1:	4:3:1:	C-4:N-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:N-3:O-1:	C(CC[6a]HH)(NH3)(CNO)(H)	N(CCCH)(H)3	C(CCHN)(NHH)(O)	C(CC[6a]HH)(NH3)(CNO)(H)	N(CCCH)(H)3	C(CCHN)(NHH)(O)	107.4455	1.384	2	107.4455	1.915	2	107.5401	1.071	97	107.5401	1.071	97	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:4:3:1:	4:1:1:1:	4:3:1:	C-4:N-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:N-3:O-1:	C(CC[6a]HO)(NH3)(CNO)(H)	N(CCCH)(H)3	C(CCHN)(NCH)(O)	C(CC[6a]HO)(NH3)(CNO)(H)	N(CCCH)(H)3	C(CCHN)(NCH)(O)	109.0740	0.000	1	109.0740	0.000	1	107.5401	1.071	97	107.5401	1.071	97	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:4:3:1:	4:1:1:1:	4:3:1:	C-4:N-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:N-3:O-1:	C(CH3)(NH3)(CNO)(H)	N(CCCH)(H)3	C(CCHN)(NCH)(O)	C(CH3)(NH3)(CNO)(H)	N(CCCH)(H)3	C(CCHN)(NCH)(O)	107.6903	1.170	27	107.6903	1.370	27	107.5401	1.071	97	107.5401	1.071	97	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:4:3:1:	4:1:1:1:	4:3:1:	C-4:N-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:N-3:O-1:	C(CH3)(NH3)(CNO)(H)	N(CCCH)(H)3	C(CCHN)(NHH)(O)	C(CH3)(NH3)(CNO)(H)	N(CCCH)(H)3	C(CCHN)(NHH)(O)	107.5010	0.000	1	107.5010	0.000	1	107.5401	1.071	97	107.5401	1.071	97	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:4:3:1:	4:1:1:1:	4:3:1:	C-4:N-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:N-3:O-1:	C(CHHO)(NH3)(CNO)(H)	N(CCCH)(H)3	C(CCHN)(NCH)(O)	C(CHHO)(NH3)(CNO)(H)	N(CCCH)(H)3	C(CCHN)(NCH)(O)	108.7124	0.556	5	108.7124	0.309	5	107.5401	1.071	97	107.5401	1.071	97	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:4:3:1:	4:1:1:1:	4:3:1:	C-4:N-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:N-3:O-1:	C(CHHO)(NH3)(CNO)(H)	N(CCCH)(H)3	C(CCHN)(NHH)(O)	C(CHHO)(NH3)(CNO)(H)	N(CCCH)(H)3	C(CCHN)(NHH)(O)	108.0750	0.000	1	108.0750	0.000	1	107.5401	1.071	97	107.5401	1.071	97	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:4:3:1:	4:4:1:1:	3:4:1:	C-4:N-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:	C(CCHO)(NCHH)(CCH)(H)	N(CCCH)2(H)2	C(CC[6a]H)(CCHN)(H)	C(CCHO)(NCHH)(CCH)(H)	N(CCCH)2(H)2	C(CC[6a]H)(CCHN)(H)	109.4510	0.000	1	109.4510	0.000	1	109.4510	0.000	1	110.0362	0.261	5	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:4:3:1:	4:4:1:1:	3:4:1:	N-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:	C(NCHH)(CH3)(CCH)(H)	N(CCCH)(CH3)(H)2	C(CC[6]H)(CCHN)(H)	C(NCHH)(CH3)(CCH)(H)	N(CCCH)(CH3)(H)2	C(CC[6]H)(CCHN)(H)	110.1825	0.454	4	110.1825	0.206	4	110.1825	0.206	4	110.0362	0.261	5	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:4:3:1:	4:4:1:1:	4:1:1:	C-4:N-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:O-1:O-1:	C(CCCH)(NCHH)(COO)(H)	N(CCCH)(CCHH)(H)2	C(CCHN)(O)2	C(CCCH)(NCHH)(COO)(H)	N(CCCH)(CCHH)(H)2	C(CCHN)(O)2	108.7530	0.000	1	108.7530	0.000	1	110.0823	1.398	20	109.5115	2.257	34	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:4:3:1:	4:4:1:1:	4:1:1:	C-4:N-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:O-1:O-1:	C(CCCH)(NCHH)(COO)(H)	N(CCCH)2(H)2	C(CCHN)(O)2	C(CCCH)(NCHH)(COO)(H)	N(CCCH)2(H)2	C(CCHN)(O)2	110.1925	0.449	2	110.1925	0.202	2	110.0823	1.398	20	109.5115	2.257	34	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:4:3:1:	4:4:1:1:	4:1:1:	C-4:N-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:O-1:O-1:	C(CCCH)(NCHH)(COO)(H)	N(CC[6a]HH)(CCCH)(H)2	C(CCHN)(O)2	C(CCCH)(NCHH)(COO)(H)	N(CC[6a]HH)(CCCH)(H)2	C(CCHN)(O)2	110.8425	0.286	2	110.8425	0.082	2	110.0823	1.398	20	109.5115	2.257	34	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:4:3:1:	4:4:1:1:	4:1:1:	C-4:N-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:O-1:O-1:	C(CCCS)(NCHH)(COO)(H)	N(CC[6a]HH)(CCCH)(H)2	C(CCHN)(O)2	C(CCCS)(NCHH)(COO)(H)	N(CC[6a]HH)(CCCH)(H)2	C(CCHN)(O)2	109.6835	0.218	2	109.6835	0.048	2	110.0823	1.398	20	109.5115	2.257	34	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:4:3:1:	4:4:1:1:	4:1:1:	C-4:N-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:O-1:O-1:	C(CCHH)(NCHH)(COO)(H)	N(CCCH)(CH3)(H)2	C(CCHN)(O)2	C(CCHH)(NCHH)(COO)(H)	N(CCCH)(CH3)(H)2	C(CCHN)(O)2	109.2990	0.000	1	109.2990	0.000	1	110.0823	1.398	20	109.5115	2.257	34	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:4:3:1:	4:4:1:1:	4:1:1:	C-4:N-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:O-1:O-1:	C(CCHH)(NCHH)(COO)(H)	N(CCCH)2(H)2	C(CCHN)(O)2	C(CCHH)(NCHH)(COO)(H)	N(CCCH)2(H)2	C(CCHN)(O)2	110.6326	1.538	5	110.6326	2.367	5	110.0823	1.398	20	109.5115	2.257	34	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:4:3:1:	4:4:1:1:	4:1:1:	C-4:N-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:O-1:O-1:	C(CCHH)(NCHH)(COO)(H)	N(CC[6a]HH)(CCCH)(H)2	C(CCHN)(O)2	C(CCHH)(NCHH)(COO)(H)	N(CC[6a]HH)(CCCH)(H)2	C(CCHN)(O)2	109.9110	0.086	3	109.9110	0.007	3	110.0823	1.398	20	109.5115	2.257	34	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:4:3:1:	4:4:1:1:	4:1:1:	C-4:N-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:O-1:O-1:	C(CC[5a]HH)(NCHH)(COO)(H)	N(CC[6a]CH)(CCCH)(H)2	C(CCHN)(O)2	C(CC[5a]HH)(NCHH)(COO)(H)	N(CC[6a]CH)(CCCH)(H)2	C(CCHN)(O)2	108.0650	0.000	1	108.0650	0.000	1	110.0823	1.398	20	109.5115	2.257	34	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:4:3:1:	4:4:1:1:	4:1:1:	C-4:N-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:O-1:O-1:	C(CC[6a]HH)(NCHH)(COO)(H)	N(CCCH)2(H)2	C(CCHN)(O)2	C(CC[6a]HH)(NCHH)(COO)(H)	N(CCCH)2(H)2	C(CCHN)(O)2	109.3670	0.718	2	109.3670	0.516	2	110.0823	1.398	20	109.5115	2.257	34	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:4:3:1:	4:4:1:1:	4:1:1:	C-4:N-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:O-1:O-1:	C(CHHO)(NCHH)(COO)(H)	N(CC[6a]HH)(CCCH)(H)2	C(CCHN)(O)2	C(CHHO)(NCHH)(COO)(H)	N(CC[6a]HH)(CCCH)(H)2	C(CCHN)(O)2	112.4610	0.000	1	112.4610	0.000	1	110.0823	1.398	20	109.5115	2.257	34	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:4:3:1:	4:4:1:1:	4:1:1:	N-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:O-1:O-1:	C(NCHH)(CH3)(COO)(H)	N(CCCH)(CHHP)(H)2	C(CCHN)(O)2	C(NCHH)(CH3)(COO)(H)	N(CCCH)(CHHP)(H)2	C(CCHN)(O)2	107.4540	0.403	8	107.4540	0.162	8	108.6961	2.470	14	109.5115	2.257	34	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:4:3:1:	4:4:1:1:	4:1:1:	N-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:O-1:O-1:	C(NCHH)(CH3)(COO)(H)	N(CC[5a]HH)(CCCH)(H)2	C(CCHN)(O)2	C(NCHH)(CH3)(COO)(H)	N(CC[5a]HH)(CCCH)(H)2	C(CCHN)(O)2	110.4095	1.317	2	110.4095	1.735	2	108.6961	2.470	14	109.5115	2.257	34	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:4:3:1:	4:4:1:1:	4:1:1:	N-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:O-1:O-1:	C(NCHH)(CH3)(COO)(H)	N(CC[6a]HH)(CCCH)(H)2	C(CCHN)(O)2	C(NCHH)(CH3)(COO)(H)	N(CC[6a]HH)(CCCH)(H)2	C(CCHN)(O)2	110.3238	0.378	4	110.3238	0.143	4	108.6961	2.470	14	109.5115	2.257	34	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:4:3:1:	4:4:1:1:	4:2:1:	C-4:N-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:O-1:	C(CCCH)(NCHH)(COO)(H)	N(CC[6a]HH)(CCCH)(H)2	C(CCHN)(OC)(O)	C(CCCH)(NCHH)(COO)(H)	N(CC[6a]HH)(CCCH)(H)2	C(CCHN)(OC)(O)	111.6775	0.203	2	111.6775	0.041	2	109.8592	3.770	5	109.4483	4.029	6	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:4:3:1:	4:4:1:1:	4:2:1:	C-4:N-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:O-1:	C(CCHH)(NCHH)(COO)(H)	N(CCCH)2(H)2	C(CCHN)(OC)(O)	C(CCHH)(NCHH)(COO)(H)	N(CCCH)2(H)2	C(CCHN)(OC)(O)	107.0670	0.000	1	107.0670	0.000	1	109.8592	3.770	5	109.4483	4.029	6	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:4:3:1:	4:4:1:1:	4:2:1:	C-4:N-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:O-1:	C(CC[6a]HH)(NCHH)(COO)(H)	N(CCCH)(CCHH)(H)2	C(CCHN)(OC)(O)	C(CC[6a]HH)(NCHH)(COO)(H)	N(CCCH)(CCHH)(H)2	C(CCHN)(OC)(O)	109.4370	0.523	2	109.4370	0.274	2	109.8592	3.770	5	109.4483	4.029	6	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:4:3:1:	4:4:1:1:	4:2:1:	N-4:C-4:C-3:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:O-2:O-1:	C(NC[5]HH)(CCCH)(COO)(H)	N(C[5]C[5]2H)(CCCH)(H)2	C(CCHN)(OC)(O)	C(NC[5]HH)(CCCH)(COO)(H)	N(C[5]C[5]2H)(CCCH)(H)2	C(CCHN)(OC)(O)	107.3940	0.000	1	107.3940	0.000	1	107.3940	0.000	1	109.4483	4.029	6	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:4:3:1:	4:4:1:1:	4:3:1:	C-4:N-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:N-3:O-1:	C(CCCH)(NCHH)(CNO)(H)	N(CCCH)(CH3)(H)2	C(CCHN)(NCH)(O)	C(CCCH)(NCHH)(CNO)(H)	N(CCCH)(CH3)(H)2	C(CCHN)(NCH)(O)	106.3680	0.000	1	106.3680	0.000	1	108.8222	2.580	6	109.0091	1.919	9	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:4:3:1:	4:4:1:1:	4:3:1:	C-4:N-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:N-3:O-1:	C(CCHH)(NCHH)(CNO)(H)	N(CCCH)(CCHH)(H)2	C(CCHN)(NCH)(O)	C(CCHH)(NCHH)(CNO)(H)	N(CCCH)(CCHH)(H)2	C(CCHN)(NCH)(O)	109.4855	1.301	4	109.4855	1.692	4	108.8222	2.580	6	109.0091	1.919	9	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:4:3:1:	4:4:1:1:	4:3:1:	C-4:N-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:N-3:O-1:	C(CCHH)(NCHH)(CNO)(H)	N(CCCH)(CH3)(H)2	C(CCHN)(NCH)(O)	C(CCHH)(NCHH)(CNO)(H)	N(CCCH)(CH3)(H)2	C(CCHN)(NCH)(O)	108.6230	0.000	1	108.6230	0.000	1	108.8222	2.580	6	109.0091	1.919	9	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:4:3:1:	4:4:1:1:	4:3:1:	C[3]-4:N-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(C[3]C[3]2H)(NCHH)(CCH)(H)	N(CC[6a]HH)(CC[3]CH)(H)2	C(CC[3]HN)(CHH)(H)	C(C[3]C[3]2H)(NCHH)(CCH)(H)	N(CC[6a]HH)(CC[3]CH)(H)2	C(CC[3]HN)(CHH)(H)	109.1820	1.257	2	109.1820	1.581	2	109.1820	1.581	2	109.0091	1.919	9	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:4:3:1:	4:4:1:1:	4:3:1:	N-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:	C(NCHH)(CH3)(CCH)(H)	N(CCCH)2(H)2	C(CCHN)(CHH)(H)	C(NCHH)(CH3)(CCH)(H)	N(CCCH)2(H)2	C(CCHN)(CHH)(H)	109.7850	0.000	1	109.7850	0.000	1	109.7850	0.000	1	109.0091	1.919	9	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:4:3:1:	4:4:4:1:	3:4:1:	C-4:N-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C-3:C-4:H-1:	C(CCHH)(NCCH)(CCH)(H)	N(CC[6a]HH)2(CCCH)(H)	C(CC[6a]H)(CCHN)(H)	C(CCHH)(NCCH)(CCH)(H)	N(CC[6a]HH)2(CCCH)(H)	C(CC[6a]H)(CCHN)(H)	113.5775	0.575	2	113.5775	0.330	2	113.5775	0.330	2	113.5775	0.330	2	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:4:3:1:	4:4:4:1:	4:1:1:	C-4:N-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C-4:Cl-1:O-1:	C(CC[6a]HH)(NCCH)(CClO)(H)	N(CCCH)(CH3)2(H)	C(CCHN)(Cl)(O)	C(CC[6a]HH)(NCCH)(CClO)(H)	N(CCCH)(CH3)2(H)	C(CCHN)(Cl)(O)	107.2910	0.000	1	107.2910	0.000	1	107.2910	0.000	1	107.2910	0.000	1	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:4:3:1:	4:4:4:1:	4:3:1:	C-4:N-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:	C(CCHH)(NCCH)(CCH)(H)	N(CC[6a]HH)2(CCCH)(H)	C(CCHN)(CCH)(H)	C(CCHH)(NCCH)(CCH)(H)	N(CC[6a]HH)2(CCCH)(H)	C(CCHN)(CCH)(H)	110.5980	0.000	1	110.5980	0.000	1	110.5980	0.000	1	110.5980	0.000	1	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:4:3:3:	4:4:1:1:	4:3:1:	C-4:N-4:C-3:C-3:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:	C(CHHN)(NCHH)(CHN)2	N(CCHH)(CC3)(H)2	C(CCCN)(NCuC)(H)	C(CHHN)(NCHH)(CHN)2	N(CCHH)(CC3)(H)2	C(CCCN)(NCuC)(H)	108.2120	0.578	2	108.2120	0.335	2	108.2120	0.335	2	108.2120	0.335	2	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:4:4:3:	4:1:1:1:	4:1:1:	C-4:C-4:N-4:C-3:	C-4:H-1:H-1:H-1:	C-4:O-1:O-1:	C(CCHH)(CH3)(NH3)(COO)	N(CC3)(H)3	C(CCCN)(O)2	C(CCHH)(CH3)(NH3)(COO)	N(CC3)(H)3	C(CCCN)(O)2	108.7968	0.560	5	108.7968	0.314	5	108.3683	0.929	8	108.3683	0.929	8	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:4:4:3:	4:1:1:1:	4:1:1:	C-4:C-4:N-4:C-3:	C-4:H-1:H-1:H-1:	C-4:O-1:O-1:	C(CC[6a]HH)(CH3)(NH3)(COO)	N(CC3)(H)3	C(CCCN)(O)2	C(CC[6a]HH)(CH3)(NH3)(COO)	N(CC3)(H)3	C(CCCN)(O)2	108.7610	0.000	1	108.7610	0.000	1	108.3683	0.929	8	108.3683	0.929	8	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:4:4:3:	4:1:1:1:	4:1:1:	C-4:C-4:N-4:C-3:	C-4:H-1:H-1:H-1:	C-4:O-1:O-1:	C(CH3)2(NH3)(COO)	N(CC3)(H)3	C(CCCN)(O)2	C(CH3)2(NH3)(COO)	N(CC3)(H)3	C(CCCN)(O)2	107.7940	0.000	1	107.7940	0.000	1	108.3683	0.929	8	108.3683	0.929	8	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:4:4:3:	4:1:1:1:	4:1:1:	C-4:C-4:N-4:C-3:	C-4:H-1:H-1:H-1:	C-4:O-1:O-1:	C(CSiHH)(CH3)(NH3)(COO)	N(CC3)(H)3	C(CCCN)(O)2	C(CSiHH)(CH3)(NH3)(COO)	N(CC3)(H)3	C(CCCN)(O)2	106.4070	0.000	1	106.4070	0.000	1	108.3683	0.929	8	108.3683	0.929	8	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:4:4:3:	4:1:1:1:	4:2:1:	C-4:C-4:N-4:C-3:	C-4:H-1:H-1:H-1:	C-4:O-2:O-1:	C(CH3)2(NH3)(COO)	N(CC3)(H)3	C(CCCN)(OC)(O)	C(CH3)2(NH3)(COO)	N(CC3)(H)3	C(CCCN)(OC)(O)	106.7168	0.102	5	106.7168	0.010	5	106.9591	0.363	7	106.9591	0.363	7	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:4:4:3:	4:1:1:1:	4:2:1:	C-4:C-4:N-4:C-3:	C-4:H-1:H-1:H-1:	C-4:O-2:O-1:	C(CSiHH)(CH3)(NH3)(COO)	N(CC3)(H)3	C(CCCN)(OC)(O)	C(CSiHH)(CH3)(NH3)(COO)	N(CC3)(H)3	C(CCCN)(OC)(O)	107.5650	1.054	2	107.5650	1.110	2	106.9591	0.363	7	106.9591	0.363	7	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:4:4:3:	4:4:1:1:	4:1:1:	N-4:C-4:C-4:C-3:	C-4:C-4:H-1:H-1:	C-4:O-1:O-1:	C(NCHH)(CH3)2(COO)	N(CCHH)(CC3)(H)2	C(CCCN)(O)2	C(NCHH)(CH3)2(COO)	N(CCHH)(CC3)(H)2	C(CCCN)(O)2	107.9170	0.000	1	107.9170	0.000	1	108.1477	0.050	3	108.1477	0.050	3	109.7519	6.420	1426	109.7519	6.420	1426
490	892	930	0:SP3_SP2_SP3	C	N	C	4:4:4:3:	4:4:1:1:	4:1:1:	N-4:C-4:C-4:C-3:	C-4:C-4:H-1:H-1:	C-4:O-1:O-1:	C(NCHH)(CH3)2(COO)	N(CC[6]HH)(CC3)(H)2	C(CCCN)(O)2	C(NCHH)(CH3)2(COO)	N(CC[6]HH)(CC3)(H)2	C(CCCN)(O)2	108.2630	0.139	2	108.2630	0.019	2	108.1477	0.050	3	108.1477	0.050	3	109.7519	6.420	1426	109.7519	6.420	1426
490	892	931	0:SP3_SP3_SPD5	C	N	Si[5]	5:4:1:1:	4:4:4:1:	2:2:4:4:1:	Si[5]-5:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	O[5]-2:O[5]-2:C-4:C-4:F-1:	C(Si[5]O[5]2CF)(NCCH)(H)2	N(CSi[5]HH)(CH3)2(H)	Si[5](O[5]C[5])2(CHHN)(CH3)(F)	C(Si[5]O[5]2CF)(NCCH)(H)2	N(CSi[5]HH)(CH3)2(H)	Si[5](O[5]C[5])2(CHHN)(CH3)(F){1|O<1>,2|H<1>}	118.0700	0.000	1	119.1685	2.413	2	119.1685	2.413	2	119.1685	2.413	2	119.1685	2.413	2	119.1685	2.413	2
490	892	931	0:SP3_SP3_SPD5	C	N	Si[5]	5:4:1:1:	4:4:4:1:	2:2:4:4:1:	Si[5]-5:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	O[5]-2:O[5]-2:C-4:C-4:F-1:	C(Si[5]O[5]2CF)(NCCH)(H)2	N(CSi[5]HH)(CH3)2(H)	Si[5](O[5]C[5])2(CHHN)(CH3)(F)	C(Si[5]O[5]2CF)(NCCH)(H)2	N(CSi[5]HH)(CH3)2(H)	Si[5](O[5]C[5])2(CHHN)(CH3)(F){2|O<1>}	120.2670	0.000	1	119.1685	2.413	2	119.1685	2.413	2	119.1685	2.413	2	119.1685	2.413	2	119.1685	2.413	2
490	892	944	0:SP3_SP-NON_SP3	C	N	I	4:1:1:1:	4:4:4:4:	4:	N-4:H-1:H-1:I-1:	C-4:C-4:C-4:C-4:	C-4:	C(NC3)(H)2(I)	N(CCHH)(CHHI)(CH3)2	I(CHHN)	C(NC3)(H)2(I)	N(CCHH)(CHHI)(CH3)2	I(CHHN)	117.0350	0.971	3	117.0350	0.942	3	115.8663	2.768	6	115.8663	2.768	6	115.8663	2.768	6	115.8663	2.768	6
490	892	944	0:SP3_SP-NON_SP3	C	N	I	4:1:1:1:	4:4:4:4:	4:	N-4:H-1:H-1:I-1:	C-4:C-4:C-4:C-4:	C-4:	C(NC3)(H)2(I)	N(CHHI)(CH3)3	I(CHHN)	C(NC3)(H)2(I)	N(CHHI)(CH3)3	I(CHHN)	114.6977	1.372	3	114.6977	1.882	3	115.8663	2.768	6	115.8663	2.768	6	115.8663	2.768	6	115.8663	2.768	6
490	892	945	0:SP3_SP3_SP3	C	N	P	4:3:1:1:	4:4:1:1:	4:4:4:	N-4:P-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(NCHH)(PCC)(H)2	N(CCCH)(CHHP)(H)2	P(CHHN)3	C(NCHH)(PCC)(H)2	N(CCCH)(CHHP)(H)2	P(CHHN)3	108.9242	0.276	12	108.9242	0.076	12	108.9242	0.076	12	108.9242	0.076	12	114.7816	37.201	24	114.7816	37.201	24
490	892	945	0:SP3_SP3_SP3	C	N	P	4:3:1:1:	4:4:4:1:	4:4:4:	N-4:P-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:	C(NCCH)(PCC)(H)2	N(CCHH)(CHHP)2(H)	P(CCHH)(CHHN)2	C(NCCH)(PCC)(H)2	N(CCHH)(CHHP)2(H)	P(CCHH)(CHHN)2	117.4865	1.599	2	117.4865	2.556	2	120.6389	2.854	12	120.6389	2.854	12	114.7816	37.201	24	114.7816	37.201	24
490	892	945	0:SP3_SP3_SP3	C	N	P	4:3:1:1:	4:4:4:1:	4:4:4:	N-4:P-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:	C(NCCH)(PCC)(H)2	N(CCHH)2(CHHP)(H)	P(CHHN)3	C(NCCH)(PCC)(H)2	N(CCHH)2(CHHP)(H)	P(CHHN)3	121.2694	0.744	10	121.2694	0.554	10	120.6389	2.854	12	120.6389	2.854	12	114.7816	37.201	24	114.7816	37.201	24
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:3:4:1:	4:1:1:1:	4:	C[5]-3:C[5]-3:N-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]N[5]2)2(NH3)(H)	N(CC[5]2H)(H)3	H(CC[5]2N)	C(C[5]N[5]2)2(NH3)(H)	N(CC[5]2H)(H)3	H(CC[5]2N)	105.7660	0.000	1	105.7660	0.000	1	105.7660	0.000	1	107.9153	3.475	3	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:3:4:1:	4:1:1:1:	4:	C[5a]-3:C[5a]-3:N-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5a]N[5a]2)2(NH3)(H)	N(CC[5a]2H)(H)3	H(CC[5a]2N)	C(C[5a]N[5a]2)2(NH3)(H)	N(CC[5a]2H)(H)3	H(CC[5a]2N)	109.0930	0.000	1	109.0930	0.000	1	109.0930	0.000	1	107.9153	3.475	3	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:3:4:1:	4:1:1:1:	4:	C[6a]-3:C[6a]-3:N-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)2(NH3)(H)	N(CC[6a]2H)(H)3	H(CC[6a]2N)	C(C[6a]C[6a]2)2(NH3)(H)	N(CC[6a]2H)(H)3	H(CC[6a]2N)	108.8870	0.000	1	108.8870	0.000	1	108.8870	0.000	1	107.9153	3.475	3	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:3:4:1:	4:4:1:1:	4:	C[6a]-3:C[6a]-3:N-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)2(NCHH)(H)	N(CC[6a]2H)(CCHH)(H)2	H(CC[6a]2N)	C(C[6a]C[6a]2)2(NCHH)(H)	N(CC[6a]2H)(CCHH)(H)2	H(CC[6a]2N)	105.9667	1.012	3	105.9667	1.024	3	106.2935	1.110	4	106.2935	1.110	4	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:3:4:1:	4:4:1:1:	4:	C[6a]-3:C[6a]-3:N-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)2(NCHH)(H)	N(CC[6a]2H)(CH3)(H)2	H(CC[6a]2N)	C(C[6a]C[6a]2)2(NCHH)(H)	N(CC[6a]2H)(CH3)(H)2	H(CC[6a]2N)	107.2740	0.000	1	107.2740	0.000	1	106.2935	1.110	4	106.2935	1.110	4	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:3:4:1:	4:4:4:1:	4:	C[6a]-3:C[6a]-3:N-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)2(NCCH)(H)	N(CC[6a]2H)(CCHH)2(H)	H(CC[6a]2N)	C(C[6a]C[6a]2)2(NCCH)(H)	N(CC[6a]2H)(CCHH)2(H)	H(CC[6a]2N)	106.4005	0.917	2	106.4005	0.841	2	106.9477	1.319	3	106.9477	1.319	3	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:3:4:1:	4:4:4:1:	4:	C[6a]-3:C[6a]-3:N-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)2(NCCH)(H)	N(CC[6a]2H)(CH3)2(H)	H(CC[6a]2N)	C(C[6a]C[6a]2)2(NCCH)(H)	N(CC[6a]2H)(CH3)2(H)	H(CC[6a]2N)	108.0420	0.000	1	108.0420	0.000	1	106.9477	1.319	3	106.9477	1.319	3	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	3:4:1:1:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a,6a]C[6a])(NC[6a]HH)(H)2	N(C[6a]C[6a]2)(CC[6a]HH)(H)2	H(CC[6a]HN)	C(C[6a]C[6a,6a]C[6a])(NC[6a]HH)(H)2	N(C[6a]C[6a]2)(CC[6a]HH)(H)2	H(CC[6a]HN)	107.5285	2.391	4	107.5285	5.715	4	109.1195	0.645	52	109.1195	0.645	52	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	3:4:1:1:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NC[6a]HH)(H)2	N(C[6a]C[6a]2)(CC[6a]HH)(H)2	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]HH)(H)2	N(C[6a]C[6a]2)(CC[6a]HH)(H)2	H(CC[6a]HN)	109.2521	0.318	48	109.2521	0.101	48	109.1195	0.645	52	109.1195	0.645	52	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	3:4:4:1:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(NC[6a]CH)(H)2	N(C[6a]C[6a,6a]C[6a])(CC[6a]HH)2(H)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]CH)(H)2	N(C[6a]C[6a,6a]C[6a])(CC[6a]HH)2(H)	H(CC[6a]HN)	108.0096	1.832	14	108.0096	3.357	14	108.2339	2.753	18	108.2339	2.753	18	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	3:4:4:1:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(NC[6a]CH)(H)2	N(C[6a]C[6a]2)(CC[6a]HH)(CCCH)(H)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]CH)(H)2	N(C[6a]C[6a]2)(CC[6a]HH)(CCCH)(H)	H(CC[6a]HN)	109.0190	0.022	4	109.0190	0.000	4	108.2339	2.753	18	108.2339	2.753	18	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:1:1:1:	4:	C-3:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[5]H)(NH3)(H)2	N(CCHH)(H)3	H(CCHN)	C(CC[5]H)(NH3)(H)2	N(CCHH)(H)3	H(CCHN)	110.1060	0.021	2	110.1060	0.000	2	109.7184	0.101	12	108.9305	1.627	551	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:1:1:1:	4:	C-3:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]H)(NH3)(H)2	N(CCHH)(H)3	H(CCHN)	C(CC[6a]H)(NH3)(H)2	N(CCHH)(H)3	H(CCHN)	110.1135	0.006	2	110.1135	0.000	2	109.7184	0.101	12	108.9305	1.627	551	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:1:1:1:	4:	C-3:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]O)(NH3)(H)2	N(CCHH)(H)3	H(CCHN)	C(CC[6a]O)(NH3)(H)2	N(CCHH)(H)3	H(CCHN)	109.5820	0.018	2	109.5820	0.000	2	109.7184	0.101	12	108.9305	1.627	551	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:1:1:1:	4:	C-3:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CN[5]H)(NH3)(H)2	N(CCHH)(H)3	H(CCHN)	C(CN[5]H)(NH3)(H)2	N(CCHH)(H)3	H(CCHN)	109.6160	0.020	2	109.6160	0.000	2	109.7184	0.101	12	108.9305	1.627	551	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:1:1:1:	4:	C-3:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CN[5]O)(NH3)(H)2	N(CCHH)(H)3	H(CCHN)	C(CN[5]O)(NH3)(H)2	N(CCHH)(H)3	H(CCHN)	109.4465	0.222	4	109.4465	0.049	4	109.7184	0.101	12	108.9305	1.627	551	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:1:1:1:	4:	C[5]-3:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]S[5])(NH3)(H)2	N(CC[5]HH)(H)3	H(CC[5]HN)	C(C[5]C[5]S[5])(NH3)(H)2	N(CC[5]HH)(H)3	H(CC[5]HN)	109.2528	0.257	4	109.2528	0.066	4	109.1503	4.034	10	108.9305	1.627	551	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:1:1:1:	4:	C[5]-3:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]N[5]2)(NH3)(H)2	N(CC[5]HH)(H)3	H(CC[5]HN)	C(C[5]N[5]2)(NH3)(H)2	N(CC[5]HH)(H)3	H(CC[5]HN)	109.0820	2.685	6	109.0820	7.207	6	109.1503	4.034	10	108.9305	1.627	551	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:1:1:1:	4:	C[5a]-3:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5a]C[5a]O[5a])(NH3)(H)2	N(CC[5a]HH)(H)3	H(CC[5a]HN)	C(C[5a]C[5a]O[5a])(NH3)(H)2	N(CC[5a]HH)(H)3	H(CC[5a]HN)	108.3685	3.046	2	108.3685	9.275	2	109.2558	1.789	8	108.9305	1.627	551	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:1:1:1:	4:	C[5a]-3:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5a]C[5a]S[5a])(NH3)(H)2	N(CC[5a]HH)(H)3	H(CC[5a]HN)	C(C[5a]C[5a]S[5a])(NH3)(H)2	N(CC[5a]HH)(H)3	H(CC[5a]HN)	109.2998	0.027	4	109.2998	0.001	4	109.2558	1.789	8	108.9305	1.627	551	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:1:1:1:	4:	C[5a]-3:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5a]N[5a]2)(NH3)(H)2	N(CC[5a]HH)(H)3	H(CC[5a]HN)	C(C[5a]N[5a]2)(NH3)(H)2	N(CC[5a]HH)(H)3	H(CC[5a]HN)	110.0550	0.621	2	110.0550	0.385	2	109.2558	1.789	8	108.9305	1.627	551	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:1:1:1:	4:	C[6]-3:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6,6a]C[6])(NH3)(H)2	N(CC[6]HH)(H)3	H(CC[6]HN)	C(C[6]C[6,6a]C[6])(NH3)(H)2	N(CC[6]HH)(H)3	H(CC[6]HN)	108.9015	0.153	2	108.9015	0.024	2	109.2519	0.108	96	108.9305	1.627	551	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:1:1:1:	4:	C[6]-3:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]2)(NH3)(H)2	N(CC[6]HH)(H)3	H(CC[6]HN)	C(C[6]C[6]2)(NH3)(H)2	N(CC[6]HH)(H)3	H(CC[6]HN)	109.2813	0.330	49	109.2813	0.109	49	109.2519	0.108	96	108.9305	1.627	551	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:1:1:1:	4:	C[6]-3:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(NH3)(H)2	N(CC[6]HH)(H)3	H(CC[6]HN)	C(C[6]C[6]N[6])(NH3)(H)2	N(CC[6]HH)(H)3	H(CC[6]HN)	109.2354	0.326	45	109.2354	0.106	45	109.2519	0.108	96	108.9305	1.627	551	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:1:1:1:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6,6a]C[6a])(NH3)(H)2	N(CC[6a]HH)(H)3	H(CC[6a]HN)	C(C[6a]C[6,6a]C[6a])(NH3)(H)2	N(CC[6a]HH)(H)3	H(CC[6a]HN)	106.3579	14.876	2	106.3579	221.301	2	108.8244	1.914	425	108.9305	1.627	551	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:1:1:1:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a,6a]C[6a])(NH3)(H)2	N(CC[6a]HH)(H)3	H(CC[6a]HN)	C(C[6a]C[6a,6a]C[6a])(NH3)(H)2	N(CC[6a]HH)(H)3	H(CC[6a]HN)	108.1801	1.244	36	108.1801	1.548	36	108.8244	1.914	425	108.9305	1.627	551	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:1:1:1:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NH3)(H)2	N(CC[6a]HH)(H)3	H(CC[6a]HN)	C(C[6a]C[6a]2)(NH3)(H)2	N(CC[6a]HH)(H)3	H(CC[6a]HN)	108.8887	1.174	367	108.8887	1.379	367	108.8244	1.914	425	108.9305	1.627	551	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:1:1:1:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]N[6a])(NH3)(H)2	N(CC[6a]HH)(H)3	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NH3)(H)2	N(CC[6a]HH)(H)3	H(CC[6a]HN)	109.0502	0.304	20	109.0502	0.092	20	108.8244	1.914	425	108.9305	1.627	551	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:2:1:1:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NCHH)(H)2	N(CC[6a]HH)(CC)(H)2	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCHH)(H)2	N(CC[6a]HH)(CC)(H)2	H(CC[6a]HN)	109.6135	0.047	2	109.6135	0.002	2	109.6135	0.002	2	109.2657	0.325	8	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:2:1:1:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:H-2:H-1:H-1:	C-4:	C(C[6a]C[6a,6a]C[6a])(NH3)(H)2	N(CC[6a]HH)(HH)(H)2	H(CC[6a]HN)	C(C[6a]C[6a,6a]C[6a])(NH3)(H)2	N(CC[6a]HH)(HH)(H)2	H(CC[6a]HN)	108.3480	0.055	2	108.3480	0.003	2	108.3480	0.003	2	109.2657	0.325	8	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:2:1:1:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NHHN)(H)2	N(CC[6a]HH)(NC)(H)2	H(CC[6a]HN)	C(C[6a]C[6a]2)(NHHN)(H)2	N(CC[6a]HH)(NC)(H)2	H(CC[6a]HN)	109.5507	0.085	4	109.5507	0.007	4	109.5507	0.007	4	109.2657	0.325	8	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:3:1:1:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NCHH)(H)2	N(CC[6a]HH)(CCH)(H)2	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCHH)(H)2	N(CC[6a]HH)(CCH)(H)2	H(CC[6a]HN)	105.1695	2.968	2	105.1695	8.807	2	105.1695	8.807	2	105.1695	8.807	2	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:4:1:1:	4:	C-3:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]C)(NCHH)(H)2	N(CCHH)(CC3)(H)2	H(CCHN)	C(CC[6a]C)(NCHH)(H)2	N(CCHH)(CC3)(H)2	H(CCHN)	108.8510	0.098	4	108.8510	0.010	4	108.8510	0.010	4	108.8979	1.657	1065	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]N[5]2)(NCHH)(H)2	N(CC[5]HH)(CCHH)(H)2	H(CC[5]HN)	C(C[5]N[5]2)(NCHH)(H)2	N(CC[5]HH)(CCHH)(H)2	H(CC[5]HN)	109.1340	0.433	4	109.1340	0.187	4	109.2305	0.135	6	108.8979	1.657	1065	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]N[5]2)(NCHH)(H)2	N(CC[5a]HH)(CC[5]HH)(H)2	H(CC[5]HN)	C(C[5]N[5]2)(NCHH)(H)2	N(CC[5a]HH)(CC[5]HH)(H)2	H(CC[5]HN)	109.4235	0.036	2	109.4235	0.001	2	109.2305	0.135	6	108.8979	1.657	1065	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:4:1:1:	4:	C[5a]-3:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5a]C[5a]2)(NCHH)(H)2	N(CC[5a]HH)(CC3)(H)2	H(CC[5a]HN)	C(C[5a]C[5a]2)(NCHH)(H)2	N(CC[5a]HH)(CC3)(H)2	H(CC[5a]HN)	109.2270	0.000	1	109.2270	0.000	1	109.0193	0.455	40	108.8979	1.657	1065	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:4:1:1:	4:	C[5a]-3:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5a]C[5a]2)(NCHH)(H)2	N(CC[5a]HH)(CCCH)(H)2	H(CC[5a]HN)	C(C[5a]C[5a]2)(NCHH)(H)2	N(CC[5a]HH)(CCCH)(H)2	H(CC[5a]HN)	106.5535	1.193	2	106.5535	1.423	2	109.0193	0.455	40	108.8979	1.657	1065	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:4:1:1:	4:	C[5a]-3:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5a]C[5a]N[5a])(NCHH)(H)2	N(CC[5a]HH)(CCCH)(H)2	H(CC[5a]HN)	C(C[5a]C[5a]N[5a])(NCHH)(H)2	N(CC[5a]HH)(CCCH)(H)2	H(CC[5a]HN)	109.5737	0.019	3	109.5737	0.000	3	109.0193	0.455	40	108.8979	1.657	1065	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:4:1:1:	4:	C[5a]-3:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5a]C[5a]N[5a])(NCHH)(H)2	N(CC[5a]HH)(CC[6]HH)(H)2	H(CC[5a]HN)	C(C[5a]C[5a]N[5a])(NCHH)(H)2	N(CC[5a]HH)(CC[6]HH)(H)2	H(CC[5a]HN)	108.8620	0.007	2	108.8620	0.000	2	109.0193	0.455	40	108.8979	1.657	1065	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:4:1:1:	4:	C[5a]-3:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5a]C[5a]O[5a])(NCHH)(H)2	N(CC[5a]HH)(CC3)(H)2	H(CC[5a]HN)	C(C[5a]C[5a]O[5a])(NCHH)(H)2	N(CC[5a]HH)(CC3)(H)2	H(CC[5a]HN)	109.5877	0.172	4	109.5877	0.030	4	109.0193	0.455	40	108.8979	1.657	1065	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:4:1:1:	4:	C[5a]-3:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5a]C[5a]S[5a])(NCHH)(H)2	N(CC[5a]HH)(CCHH)(H)2	H(CC[5a]HN)	C(C[5a]C[5a]S[5a])(NCHH)(H)2	N(CC[5a]HH)(CCHH)(H)2	H(CC[5a]HN)	109.0148	0.267	16	109.0148	0.071	16	109.0193	0.455	40	108.8979	1.657	1065	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:4:1:1:	4:	C[5a]-3:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5a]C[5a]S[5a])(NCHH)(H)2	N(CC[5a]HH)(CC[6a]HH)(H)2	H(CC[5a]HN)	C(C[5a]C[5a]S[5a])(NCHH)(H)2	N(CC[5a]HH)(CC[6a]HH)(H)2	H(CC[5a]HN)	109.0384	0.153	10	109.0384	0.023	10	109.0193	0.455	40	108.8979	1.657	1065	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:4:1:1:	4:	C[5a]-3:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5a]N[5a]2)(NCHH)(H)2	N(CC[5a]HH)(CC[5]HH)(H)2	H(CC[5a]HN)	C(C[5a]N[5a]2)(NCHH)(H)2	N(CC[5a]HH)(CC[5]HH)(H)2	H(CC[5a]HN)	109.5100	0.051	2	109.5100	0.003	2	109.0193	0.455	40	108.8979	1.657	1065	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2)(NCHH)(H)2	N(CC[6]CH)(CC[6]HH)(H)2	H(CC[6]HN)	C(C[6]C[6]2)(NCHH)(H)2	N(CC[6]CH)(CC[6]HH)(H)2	H(CC[6]HN)	107.3653	4.063	4	107.3653	16.510	4	108.7020	4.230	45	108.8979	1.657	1065	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2)(NCHH)(H)2	N(CC[6]HH)(CCHH)(H)2	H(CC[6]HN)	C(C[6]C[6]2)(NCHH)(H)2	N(CC[6]HH)(CCHH)(H)2	H(CC[6]HN)	109.1767	0.922	33	109.1767	0.850	33	108.7020	4.230	45	108.8979	1.657	1065	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2)(NCHH)(H)2	N(CC[6a]HH)(CC[6]HH)(H)2	H(CC[6]HN)	C(C[6]C[6]2)(NCHH)(H)2	N(CC[6a]HH)(CC[6]HH)(H)2	H(CC[6]HN)	106.9575	3.912	6	106.9575	15.302	6	108.7020	4.230	45	108.8979	1.657	1065	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(NCHH)(H)2	N(CC[6]HH)(CCHH)(H)2	H(CC[6]HN)	C(C[6]C[6]N[6])(NCHH)(H)2	N(CC[6]HH)(CCHH)(H)2	H(CC[6]HN)	108.7760	0.028	2	108.7760	0.001	2	108.7020	4.230	45	108.8979	1.657	1065	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:N-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2)(NC[6]HH)(H)2	N(C[6]C[6]2H)(CC[6]HH)(H)2	H(CC[6]HN)	C(C[6]C[6]2)(NC[6]HH)(H)2	N(C[6]C[6]2H)(CC[6]HH)(H)2	H(CC[6]HN)	109.0420	0.380	14	109.0420	0.144	14	109.0896	0.142	16	108.8979	1.657	1065	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:N-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(NC[6]HH)(H)2	N(C[6]C[6]2H)(CC[6]HH)(H)2	H(CC[6]HN)	C(C[6]C[6]N[6])(NC[6]HH)(H)2	N(C[6]C[6]2H)(CC[6]HH)(H)2	H(CC[6]HN)	109.4225	0.050	2	109.4225	0.003	2	109.0896	0.142	16	108.8979	1.657	1065	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:N-4:H-1:H-1:	B-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NBHH)(H)2	N(BC[6a]2O)(CC[6a]HH)(H)2	H(CC[6a]HN)	C(C[6a]C[6a]2)(NBHH)(H)2	N(BC[6a]2O)(CC[6a]HH)(H)2	H(CC[6a]HN)	108.4448	1.224	10	108.4448	1.499	10	108.4448	1.499	10	108.8979	1.657	1065	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:N-4:H-1:H-1:	B[6a]-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NB[6a]HH)(H)2	N(B[6a]C[6a]O[6a]2)(CC[6a]HH)(H)2	H(CC[6a]HN)	C(C[6a]C[6a]2)(NB[6a]HH)(H)2	N(B[6a]C[6a]O[6a]2)(CC[6a]HH)(H)2	H(CC[6a]HN)	109.5632	0.174	4	109.5632	0.030	4	109.5632	0.030	4	108.8979	1.657	1065	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:B-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NBHH)(H)2	N(CC[6a]HH)(BC[6a]3)(H)2	H(CC[6a]HN)	C(C[6a]C[6a]2)(NBHH)(H)2	N(CC[6a]HH)(BC[6a]3)(H)2	H(CC[6a]HN)	108.6345	0.008	2	108.6345	0.000	2	108.6345	0.000	2	108.8979	1.657	1065	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[5a,6a]C[6a])(NCHH)(H)2	N(CC[6a]HH)(CCHH)(H)2	H(CC[6a]HN)	C(C[6a]C[5a,6a]C[6a])(NCHH)(H)2	N(CC[6a]HH)(CCHH)(H)2	H(CC[6a]HN)	109.2095	0.191	4	109.2095	0.037	4	108.9227	1.553	883	108.8979	1.657	1065	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a,6a]2)(NCHH)(H)2	N(CC[6a]HH)(CCHH)(H)2	H(CC[6a]HN)	C(C[6a]C[6a,6a]2)(NCHH)(H)2	N(CC[6a]HH)(CCHH)(H)2	H(CC[6a]HN)	109.1556	0.280	21	109.1556	0.078	21	108.9227	1.553	883	108.8979	1.657	1065	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a,6a]2)(NCHH)(H)2	N(CC[6a]HH)2(H)2	H(CC[6a]HN)	C(C[6a]C[6a,6a]2)(NCHH)(H)2	N(CC[6a]HH)2(H)2	H(CC[6a]HN)	109.2890	0.384	5	109.2890	0.148	5	108.9227	1.553	883	108.8979	1.657	1065	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a,6a]C[6a])(NCHH)(H)2	N(CC[6a]HH)(CCCH)(H)2	H(CC[6a]HN)	C(C[6a]C[6a,6a]C[6a])(NCHH)(H)2	N(CC[6a]HH)(CCCH)(H)2	H(CC[6a]HN)	109.0690	0.028	2	109.0690	0.001	2	108.9227	1.553	883	108.8979	1.657	1065	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a,6a]C[6a])(NCHH)(H)2	N(CC[6a]HH)(CCHH)(H)2	H(CC[6a]HN)	C(C[6a]C[6a,6a]C[6a])(NCHH)(H)2	N(CC[6a]HH)(CCHH)(H)2	H(CC[6a]HN)	109.4125	0.178	6	109.4125	0.032	6	108.9227	1.553	883	108.8979	1.657	1065	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NCHH)(H)2	N(CC[5a]HH)(CC[6a]HH)(H)2	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCHH)(H)2	N(CC[5a]HH)(CC[6a]HH)(H)2	H(CC[6a]HN)	109.1700	0.402	10	109.1700	0.161	10	108.9227	1.553	883	108.8979	1.657	1065	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NCHH)(H)2	N(CC[6a]CH)(CC[6a]HH)(H)2	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCHH)(H)2	N(CC[6a]CH)(CC[6a]HH)(H)2	H(CC[6a]HN)	108.2765	2.209	4	108.2765	4.878	4	108.9227	1.553	883	108.8979	1.657	1065	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NCHH)(H)2	N(CC[6a]HH)(CC3)(H)2	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCHH)(H)2	N(CC[6a]HH)(CC3)(H)2	H(CC[6a]HN)	109.4897	0.630	13	109.4897	0.397	13	108.9227	1.553	883	108.8979	1.657	1065	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NCHH)(H)2	N(CC[6a]HH)(CCCH)(H)2	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCHH)(H)2	N(CC[6a]HH)(CCCH)(H)2	H(CC[6a]HN)	109.0942	0.310	45	109.0942	0.096	45	108.9227	1.553	883	108.8979	1.657	1065	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NCHH)(H)2	N(CC[6a]HH)(CCHH)(H)2	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCHH)(H)2	N(CC[6a]HH)(CCHH)(H)2	H(CC[6a]HN)	108.9853	0.944	425	108.9853	0.891	425	108.9227	1.553	883	108.8979	1.657	1065	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NCHH)(H)2	N(CC[6a]HH)(CC[3]CH)(H)2	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCHH)(H)2	N(CC[6a]HH)(CC[3]CH)(H)2	H(CC[6a]HN)	109.3130	0.135	4	109.3130	0.018	4	108.9227	1.553	883	108.8979	1.657	1065	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NCHH)(H)2	N(CC[6a]HH)(CC[5]CH)(H)2	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCHH)(H)2	N(CC[6a]HH)(CC[5]CH)(H)2	H(CC[6a]HN)	108.8682	0.293	6	108.8682	0.086	6	108.9227	1.553	883	108.8979	1.657	1065	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NCHH)(H)2	N(CC[6a]HH)(CC[5]HH)(H)2	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCHH)(H)2	N(CC[6a]HH)(CC[5]HH)(H)2	H(CC[6a]HN)	109.1979	0.359	71	109.1979	0.129	71	108.9227	1.553	883	108.8979	1.657	1065	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NCHH)(H)2	N(CC[6a]HH)(CC[6]HH)(H)2	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCHH)(H)2	N(CC[6a]HH)(CC[6]HH)(H)2	H(CC[6a]HN)	105.1049	8.410	7	105.1049	70.730	7	108.9227	1.553	883	108.8979	1.657	1065	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NCHH)(H)2	N(CC[6a]HH)(CC[6a]HP)(H)2	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCHH)(H)2	N(CC[6a]HH)(CC[6a]HP)(H)2	H(CC[6a]HN)	108.9975	0.005	2	108.9975	0.000	2	108.9227	1.553	883	108.8979	1.657	1065	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NCHH)(H)2	N(CC[6a]HH)(CH3)(H)2	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCHH)(H)2	N(CC[6a]HH)(CH3)(H)2	H(CC[6a]HN)	109.1297	0.219	23	109.1297	0.048	23	108.9227	1.553	883	108.8979	1.657	1065	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NCHH)(H)2	N(CC[6a]HH)(CHHP)(H)2	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCHH)(H)2	N(CC[6a]HH)(CHHP)(H)2	H(CC[6a]HN)	109.6853	0.103	3	109.6853	0.011	3	108.9227	1.553	883	108.8979	1.657	1065	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NCHH)(H)2	N(CC[6a]HH)(CP[6]HH)(H)2	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCHH)(H)2	N(CC[6a]HH)(CP[6]HH)(H)2	H(CC[6a]HN)	109.4427	0.203	6	109.4427	0.041	6	108.9227	1.553	883	108.8979	1.657	1065	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NCHH)(H)2	N(CC[6a]HH)2(H)2	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCHH)(H)2	N(CC[6a]HH)2(H)2	H(CC[6a]HN)	108.4228	1.493	155	108.4228	2.229	155	108.9227	1.553	883	108.8979	1.657	1065	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]N[6a])(NCHH)(H)2	N(CC[6a]HH)(CCCH)(H)2	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NCHH)(H)2	N(CC[6a]HH)(CCCH)(H)2	H(CC[6a]HN)	108.7784	0.092	5	108.7784	0.008	5	108.9227	1.553	883	108.8979	1.657	1065	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]N[6a])(NCHH)(H)2	N(CC[6a]HH)(CCHH)(H)2	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NCHH)(H)2	N(CC[6a]HH)(CCHH)(H)2	H(CC[6a]HN)	108.9922	0.535	31	108.9922	0.287	31	108.9227	1.553	883	108.8979	1.657	1065	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]N[6a])(NCHH)(H)2	N(CC[6a]HH)(CH3)(H)2	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NCHH)(H)2	N(CC[6a]HH)(CH3)(H)2	H(CC[6a]HN)	109.5005	0.170	4	109.5005	0.029	4	108.9227	1.553	883	108.8979	1.657	1065	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]N[6a])(NCHH)(H)2	N(CC[6a]HH)2(H)2	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NCHH)(H)2	N(CC[6a]HH)2(H)2	H(CC[6a]HN)	109.4610	0.289	31	109.4610	0.083	31	108.9227	1.553	883	108.8979	1.657	1065	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:N-4:H-1:H-1:	C[3x6]-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NC[3x6]HH)(H)2	N(C[3x6]C[6,6]3)(CC[6a]HH)(H)2	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[3x6]HH)(H)2	N(C[3x6]C[6,6]3)(CC[6a]HH)(H)2	H(CC[6a]HN)	109.0739	0.190	12	109.0739	0.036	12	109.0670	0.034	13	108.8979	1.657	1065	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:N-4:H-1:H-1:	C[3x6]-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]N[6a])(NC[3x6]HH)(H)2	N(C[3x6]C[6,6]3)(CC[6a]HH)(H)2	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NC[3x6]HH)(H)2	N(C[3x6]C[6,6]3)(CC[6a]HH)(H)2	H(CC[6a]HN)	108.9840	0.000	1	108.9840	0.000	1	109.0670	0.034	13	108.8979	1.657	1065	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:N-4:H-1:H-1:	C[5,6]-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NC[5,6]HH)(H)2	N(C[5,6]C[5,5,6]C[5,6]C)(CC[6a]HH)(H)2	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[5,6]HH)(H)2	N(C[5,6]C[5,5,6]C[5,6]C)(CC[6a]HH)(H)2	H(CC[6a]HN)	104.6055	0.682	2	104.6055	0.466	2	107.5922	8.189	5	108.8979	1.657	1065	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:N-4:H-1:H-1:	C[5,6]-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NC[5,6]HH)(H)2	N(C[5,6]C[5,5,6]C[5,6]H)(CC[6a]HH)(H)2	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[5,6]HH)(H)2	N(C[5,6]C[5,5,6]C[5,6]H)(CC[6a]HH)(H)2	H(CC[6a]HN)	109.5833	1.131	3	109.5833	1.278	3	107.5922	8.189	5	108.8979	1.657	1065	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:N-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NC[5]HH)(H)2	N(C[5]C[5]2H)(CC[6a]HH)(H)2	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[5]HH)(H)2	N(C[5]C[5]2H)(CC[6a]HH)(H)2	H(CC[6a]HN)	109.2317	0.036	3	109.2317	0.001	3	109.4174	0.051	7	108.8979	1.657	1065	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:N-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]N[6a])(NC[5]HH)(H)2	N(C[5]C[5]2H)(CC[6a]HH)(H)2	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NC[5]HH)(H)2	N(C[5]C[5]2H)(CC[6a]HH)(H)2	H(CC[6a]HN)	109.5567	0.203	4	109.5567	0.041	4	109.4174	0.051	7	108.8979	1.657	1065	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:N-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NC[6]HH)(H)2	N(C[6]C[6]2C)(CC[6a]HH)(H)2	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6]HH)(H)2	N(C[6]C[6]2C)(CC[6a]HH)(H)2	H(CC[6a]HN)	105.7955	2.445	4	105.7955	5.976	4	108.2364	4.337	26	108.8979	1.657	1065	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:N-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NC[6]HH)(H)2	N(C[6]C[6]2H)(CC[6a]HH)(H)2	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6]HH)(H)2	N(C[6]C[6]2H)(CC[6a]HH)(H)2	H(CC[6a]HN)	108.6802	1.723	22	108.6802	2.968	22	108.2364	4.337	26	108.8979	1.657	1065	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:4:1:1:	4:	P[6]-3:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(P[6]C[6]2)(NCHH)(H)2	N(CC[6a]HH)(CP[6]HH)(H)2	H(CP[6]HN)	C(P[6]C[6]2)(NCHH)(H)2	N(CC[6a]HH)(CP[6]HH)(H)2	H(CP[6]HN)	108.2793	0.182	4	108.2793	0.033	4	108.2793	0.033	4	108.8979	1.657	1065	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:4:4:1:	4:	C[5]-3:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[5]C[5]N[5])(NCCH)(H)2	N(CC[5]HH)2(CH3)(H)	H(CC[5]HN)	C(C[5]C[5]N[5])(NCCH)(H)2	N(CC[5]HH)2(CH3)(H)	H(CC[5]HN)	108.9278	0.074	4	108.9278	0.005	4	108.9278	0.005	4	108.6391	0.937	436	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:4:4:1:	4:	C[5a]-3:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(NCCH)(H)2	N(CC[5a]HH)(CH3)2(H)	H(CC[5a]HN)	C(C[5a]C[5a,6a]C[5a])(NCCH)(H)2	N(CC[5a]HH)(CH3)2(H)	H(CC[5a]HN)	108.8905	0.059	2	108.8905	0.003	2	108.8869	0.064	17	108.6391	0.937	436	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:4:4:1:	4:	C[5a]-3:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[5a]C[5a]N[5a])(NCCH)(H)2	N(CC[5a]HH)(CH3)2(H)	H(CC[5a]HN)	C(C[5a]C[5a]N[5a])(NCCH)(H)2	N(CC[5a]HH)(CH3)2(H)	H(CC[5a]HN)	108.5222	0.114	4	108.5222	0.013	4	108.8869	0.064	17	108.6391	0.937	436	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:4:4:1:	4:	C[5a]-3:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[5a]C[5a]N[5a])(NCCH)(H)2	N(CC[5a]HH)2(CH3)(H)	H(CC[5a]HN)	C(C[5a]C[5a]N[5a])(NCCH)(H)2	N(CC[5a]HH)2(CH3)(H)	H(CC[5a]HN)	109.0664	0.184	7	109.0664	0.034	7	108.8869	0.064	17	108.6391	0.937	436	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:4:4:1:	4:	C[5a]-3:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[5a]C[5a]O[5a])(NCCH)(H)2	N(CC[5a]HH)(CH3)2(H)	H(CC[5a]HN)	C(C[5a]C[5a]O[5a])(NCCH)(H)2	N(CC[5a]HH)(CH3)2(H)	H(CC[5a]HN)	108.9840	0.031	2	108.9840	0.001	2	108.8869	0.064	17	108.6391	0.937	436	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:4:4:1:	4:	C[5a]-3:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[5a]N[5a,6a]C[5a])(NCCH)(H)2	N(CC[5a]HH)(CH3)2(H)	H(CC[5a]HN)	C(C[5a]N[5a,6a]C[5a])(NCCH)(H)2	N(CC[5a]HH)(CH3)2(H)	H(CC[5a]HN)	108.8875	0.029	2	108.8875	0.001	2	108.8869	0.064	17	108.6391	0.937	436	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:4:4:1:	4:	C[6]-3:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6]C[6]2)(NCCH)(H)2	N(CC[6]HH)(CCHH)(CH3)(H)	H(CC[6]HN)	C(C[6]C[6]2)(NCCH)(H)2	N(CC[6]HH)(CCHH)(CH3)(H)	H(CC[6]HN)	109.1165	0.053	4	109.1165	0.003	4	108.4703	2.402	21	108.6391	0.937	436	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:4:4:1:	4:	C[6]-3:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6]C[6]2)(NCCH)(H)2	N(CC[6]HH)(CCHH)2(H)	H(CC[6]HN)	C(C[6]C[6]2)(NCCH)(H)2	N(CC[6]HH)(CCHH)2(H)	H(CC[6]HN)	109.0970	0.046	3	109.0970	0.002	3	108.4703	2.402	21	108.6391	0.937	436	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:4:4:1:	4:	C[6]-3:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6]C[6]2)(NCCH)(H)2	N(CC[6]HH)(CH3)2(H)	H(CC[6]HN)	C(C[6]C[6]2)(NCCH)(H)2	N(CC[6]HH)(CH3)2(H)	H(CC[6]HN)	105.7320	1.302	2	105.7320	1.696	2	108.4703	2.402	21	108.6391	0.937	436	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:4:4:1:	4:	C[6]-3:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6]C[6]2)(NCCH)(H)2	N(CC[6]HH)2(CH3)(H)	H(CC[6]HN)	C(C[6]C[6]2)(NCCH)(H)2	N(CC[6]HH)2(CH3)(H)	H(CC[6]HN)	109.8080	0.055	3	109.8080	0.003	3	108.4703	2.402	21	108.6391	0.937	436	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:4:4:1:	4:	C[6]-3:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6]C[6]2)(NCCH)(H)2	N(CC[6a]HH)(CC[6]HH)(CCHH)(H)	H(CC[6]HN)	C(C[6]C[6]2)(NCCH)(H)2	N(CC[6a]HH)(CC[6]HH)(CCHH)(H)	H(CC[6]HN)	108.7855	0.043	2	108.7855	0.002	2	108.4703	2.402	21	108.6391	0.937	436	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:4:4:1:	4:	C[6]-3:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6]C[6]N[6])(NCCH)(H)2	N(CC[6]HH)(CCHH)2(H)	H(CC[6]HN)	C(C[6]C[6]N[6])(NCCH)(H)2	N(CC[6]HH)(CCHH)2(H)	H(CC[6]HN)	108.8016	0.106	5	108.8016	0.011	5	108.4703	2.402	21	108.6391	0.937	436	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:4:4:1:	4:	C[6]-3:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6]S[6]2)(NCCH)(H)2	N(CC[6]HH)(CH3)2(H)	H(CC[6]HN)	C(C[6]S[6]2)(NCCH)(H)2	N(CC[6]HH)(CH3)2(H)	H(CC[6]HN)	105.8260	2.885	2	105.8260	8.323	2	108.4703	2.402	21	108.6391	0.937	436	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:4:4:1:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:C-4:B-4:H-1:	C-4:	C(C[6a]C[6a]2)(NBCH)(H)2	N(CC[6a]HH)2(BC[6a]3)(H)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NBCH)(H)2	N(CC[6a]HH)2(BC[6a]3)(H)	H(CC[6a]HN)	108.5002	0.095	4	108.5002	0.009	4	108.9306	0.222	8	108.6391	0.937	436	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:4:4:1:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:C-4:B-4:H-1:	C-4:	C(C[6a]C[6a]N[6a])(NBCH)(H)2	N(CC[6a]HH)2(BH3)(H)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NBCH)(H)2	N(CC[6a]HH)2(BH3)(H)	H(CC[6a]HN)	109.3610	0.118	4	109.3610	0.014	4	108.9306	0.222	8	108.6391	0.937	436	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:4:4:1:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[5,6a]C[6a])(NCCH)(H)2	N(CC[6a]HH)(CCCH)(CCHH)(H)	H(CC[6a]HN)	C(C[6a]C[5,6a]C[6a])(NCCH)(H)2	N(CC[6a]HH)(CCCH)(CCHH)(H)	H(CC[6a]HN)	108.5135	0.008	2	108.5135	0.000	2	108.6783	0.777	356	108.6391	0.937	436	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:4:4:1:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[5a,6a]C[6a])(NCCH)(H)2	N(CC[6a]HH)(CH3)2(H)	H(CC[6a]HN)	C(C[6a]C[5a,6a]C[6a])(NCCH)(H)2	N(CC[6a]HH)(CH3)2(H)	H(CC[6a]HN)	109.3940	0.132	3	109.3940	0.017	3	108.6783	0.777	356	108.6391	0.937	436	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:4:4:1:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a,6a]2)(NCCH)(H)2	N(CC[6a]HH)(CCHH)2(H)	H(CC[6a]HN)	C(C[6a]C[6a,6a]2)(NCCH)(H)2	N(CC[6a]HH)(CCHH)2(H)	H(CC[6a]HN)	109.1220	0.154	4	109.1220	0.024	4	108.6783	0.777	356	108.6391	0.937	436	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:4:4:1:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a,6a]2)(NCCH)(H)2	N(CC[6a]HH)(CH3)2(H)	H(CC[6a]HN)	C(C[6a]C[6a,6a]2)(NCCH)(H)2	N(CC[6a]HH)(CH3)2(H)	H(CC[6a]HN)	108.3346	0.320	14	108.3346	0.102	14	108.6783	0.777	356	108.6391	0.937	436	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:4:4:1:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a,6a]2)(NCCH)(H)2	N(CC[6a]HH)2(CCHH)(H)	H(CC[6a]HN)	C(C[6a]C[6a,6a]2)(NCCH)(H)2	N(CC[6a]HH)2(CCHH)(H)	H(CC[6a]HN)	108.5830	0.130	6	108.5830	0.017	6	108.6783	0.777	356	108.6391	0.937	436	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:4:4:1:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a,6a]2)(NCCH)(H)2	N(CC[6a]HH)2(CH3)(H)	H(CC[6a]HN)	C(C[6a]C[6a,6a]2)(NCCH)(H)2	N(CC[6a]HH)2(CH3)(H)	H(CC[6a]HN)	108.6610	0.000	1	108.6610	0.000	1	108.6783	0.777	356	108.6391	0.937	436	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:4:4:1:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a,6a]C[6a])(NCCH)(H)2	N(CC[6a]HH)(CH3)2(H)	H(CC[6a]HN)	C(C[6a]C[6a,6a]C[6a])(NCCH)(H)2	N(CC[6a]HH)(CH3)2(H)	H(CC[6a]HN)	109.2700	0.097	4	109.2700	0.009	4	108.6783	0.777	356	108.6391	0.937	436	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:4:4:1:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(NCCH)(H)2	N(CC[6a]CH)(CC[6a]HH)(CC[3]HH)(H)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCCH)(H)2	N(CC[6a]CH)(CC[6a]HH)(CC[3]HH)(H)	H(CC[6a]HN)	108.9700	0.066	2	108.9700	0.004	2	108.6783	0.777	356	108.6391	0.937	436	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:4:4:1:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(NCCH)(H)2	N(CC[6a]HH)(CCCH)2(H)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCCH)(H)2	N(CC[6a]HH)(CCCH)2(H)	H(CC[6a]HN)	107.1360	1.645	2	107.1360	2.705	2	108.6783	0.777	356	108.6391	0.937	436	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:4:4:1:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(NCCH)(H)2	N(CC[6a]HH)(CCHH)(CH3)(H)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCCH)(H)2	N(CC[6a]HH)(CCHH)(CH3)(H)	H(CC[6a]HN)	109.1517	0.416	4	109.1517	0.173	4	108.6783	0.777	356	108.6391	0.937	436	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:4:4:1:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(NCCH)(H)2	N(CC[6a]HH)(CCHH)(CHHP)(H)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCCH)(H)2	N(CC[6a]HH)(CCHH)(CHHP)(H)	H(CC[6a]HN)	108.6990	0.006	2	108.6990	0.000	2	108.6783	0.777	356	108.6391	0.937	436	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:4:4:1:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(NCCH)(H)2	N(CC[6a]HH)(CCHH)2(H)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCCH)(H)2	N(CC[6a]HH)(CCHH)2(H)	H(CC[6a]HN)	108.5684	1.004	49	108.5684	1.008	49	108.6783	0.777	356	108.6391	0.937	436	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:4:4:1:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(NCCH)(H)2	N(CC[6a]HH)(CC[6]HH)(CCHH)(H)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCCH)(H)2	N(CC[6a]HH)(CC[6]HH)(CCHH)(H)	H(CC[6a]HN)	108.8875	0.022	2	108.8875	0.000	2	108.6783	0.777	356	108.6391	0.937	436	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:4:4:1:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(NCCH)(H)2	N(CC[6a]HH)(CH3)2(H)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCCH)(H)2	N(CC[6a]HH)(CH3)2(H)	H(CC[6a]HN)	108.9405	0.210	37	108.9405	0.044	37	108.6783	0.777	356	108.6391	0.937	436	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:4:4:1:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(NCCH)(H)2	N(CC[6a]HH)(CHHP)2(H)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCCH)(H)2	N(CC[6a]HH)(CHHP)2(H)	H(CC[6a]HN)	108.9445	0.005	2	108.9445	0.000	2	108.6783	0.777	356	108.6391	0.937	436	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:4:4:1:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(NCCH)(H)2	N(CC[6a]HH)2(CCCH)(H)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCCH)(H)2	N(CC[6a]HH)2(CCCH)(H)	H(CC[6a]HN)	108.0335	1.114	11	108.0335	1.241	11	108.6783	0.777	356	108.6391	0.937	436	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:4:4:1:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(NCCH)(H)2	N(CC[6a]HH)2(CCHH)(H)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCCH)(H)2	N(CC[6a]HH)2(CCHH)(H)	H(CC[6a]HN)	108.4762	1.254	80	108.4762	1.573	80	108.6783	0.777	356	108.6391	0.937	436	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:4:4:1:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(NCCH)(H)2	N(CC[6a]HH)2(CCHP)(H)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCCH)(H)2	N(CC[6a]HH)2(CCHP)(H)	H(CC[6a]HN)	108.8367	0.217	4	108.8367	0.047	4	108.6783	0.777	356	108.6391	0.937	436	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:4:4:1:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(NCCH)(H)2	N(CC[6a]HH)2(CH3)(H)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCCH)(H)2	N(CC[6a]HH)2(CH3)(H)	H(CC[6a]HN)	109.6325	0.049	2	109.6325	0.002	2	108.6783	0.777	356	108.6391	0.937	436	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:4:4:1:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(NCCH)(H)2	N(CC[6a]HH)2(CHHP)(H)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCCH)(H)2	N(CC[6a]HH)2(CHHP)(H)	H(CC[6a]HN)	108.9018	0.296	11	108.9018	0.088	11	108.6783	0.777	356	108.6391	0.937	436	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:4:4:1:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(NCCH)(H)2	N(CC[6a]HH)3(H)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCCH)(H)2	N(CC[6a]HH)3(H)	H(CC[6a]HN)	108.9461	0.335	88	108.9461	0.112	88	108.6783	0.777	356	108.6391	0.937	436	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:4:4:1:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]N[6a])(NCCH)(H)2	N(CC[6a]HH)(CCHH)2(H)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NCCH)(H)2	N(CC[6a]HH)(CCHH)2(H)	H(CC[6a]HN)	108.8917	0.264	7	108.8917	0.070	7	108.6783	0.777	356	108.6391	0.937	436	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:4:4:1:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]N[6a])(NCCH)(H)2	N(CC[6a]HH)(CH3)2(H)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NCCH)(H)2	N(CC[6a]HH)(CH3)2(H)	H(CC[6a]HN)	108.8580	0.000	1	108.8580	0.000	1	108.6783	0.777	356	108.6391	0.937	436	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:4:4:1:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]N[6a])(NCCH)(H)2	N(CC[6a]HH)2(CCHH)(H)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NCCH)(H)2	N(CC[6a]HH)2(CCHH)(H)	H(CC[6a]HN)	108.9120	0.366	4	108.9120	0.134	4	108.6783	0.777	356	108.6391	0.937	436	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:4:4:1:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]N[6a])(NCCH)(H)2	N(CC[6a]HH)3(H)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NCCH)(H)2	N(CC[6a]HH)3(H)	H(CC[6a]HN)	107.6799	1.385	10	107.6799	1.917	10	108.6783	0.777	356	108.6391	0.937	436	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:4:4:1:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]O[6a])(NCCH)(H)2	N(CC[6a]HH)(CCHH)(CH3)(H)	H(CC[6a]HN)	C(C[6a]C[6a]O[6a])(NCCH)(H)2	N(CC[6a]HH)(CCHH)(CH3)(H)	H(CC[6a]HN)	107.8790	1.940	4	107.8790	3.765	4	108.6783	0.777	356	108.6391	0.937	436	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:4:4:1:	4:	C[6a]-3:N-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(NC[5]CH)(H)2	N(C[5]C[5]2H)(CC[6a]HH)(CH3)(H)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[5]CH)(H)2	N(C[5]C[5]2H)(CC[6a]HH)(CH3)(H)	H(CC[6a]HN)	109.1875	0.124	4	109.1875	0.015	4	107.0362	3.139	12	108.6391	0.937	436	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:4:4:1:	4:	C[6a]-3:N-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(NC[5]CH)(H)2	N(C[5]C[5]2H)(CC[6a]HH)2(H)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[5]CH)(H)2	N(C[5]C[5]2H)(CC[6a]HH)2(H)	H(CC[6a]HN)	105.9606	0.980	8	105.9606	0.960	8	107.0362	3.139	12	108.6391	0.937	436	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:4:4:1:	4:	C[6a]-3:N-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(NC[6]CH)(H)2	N(C[6]C[6]2H)(CC[6a]HH)(CCHH)(H)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6]CH)(H)2	N(C[6]C[6]2H)(CC[6a]HH)(CCHH)(H)	H(CC[6a]HN)	109.5020	0.016	2	109.5020	0.000	2	108.7014	0.719	18	108.6391	0.937	436	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:4:4:1:	4:	C[6a]-3:N-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(NC[6]CH)(H)2	N(C[6]C[6]2H)(CC[6a]HH)(CH3)(H)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6]CH)(H)2	N(C[6]C[6]2H)(CC[6a]HH)(CH3)(H)	H(CC[6a]HN)	108.5695	0.006	2	108.5695	0.000	2	108.7014	0.719	18	108.6391	0.937	436	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:4:4:1:	4:	C[6a]-3:N-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(NC[6]CH)(H)2	N(C[6]C[6]2H)(CC[6a]HH)2(H)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6]CH)(H)2	N(C[6]C[6]2H)(CC[6a]HH)2(H)	H(CC[6a]HN)	108.7690	0.478	8	108.7690	0.229	8	108.7014	0.719	18	108.6391	0.937	436	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:4:4:1:	4:	C[6a]-3:N-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]N[6a])(NC[6]CH)(H)2	N(C[6]C[6]2H)(CC[6a]HH)(CH3)(H)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NC[6]CH)(H)2	N(C[6]C[6]2H)(CC[6a]HH)(CH3)(H)	H(CC[6a]HN)	106.7825	0.938	2	106.7825	0.880	2	108.7014	0.719	18	108.6391	0.937	436	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:4:4:1:	4:	C[6a]-3:N-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]N[6a])(NC[6]CH)(H)2	N(C[6]C[6]2H)(CC[6a]HH)2(H)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NC[6]CH)(H)2	N(C[6]C[6]2H)(CC[6a]HH)2(H)	H(CC[6a]HN)	109.1912	0.148	4	109.1912	0.022	4	108.7014	0.719	18	108.6391	0.937	436	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:4:4:2:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(C[6a]C[6a]2)(NCCO)(H)2	N(CC[6a]HH)(CH3)2(OSn)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCCO)(H)2	N(CC[6a]HH)(CH3)2(OSn)	H(CC[6a]HN)	108.4195	0.124	2	108.4195	0.015	2	108.4195	0.015	2	108.4195	0.015	2	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:4:4:3:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(C[6a]C[6a]2)(NC3)(H)2	N(CC[6a]HH)(CH3)2(COO)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC3)(H)2	N(CC[6a]HH)(CH3)2(COO)	H(CC[6a]HN)	108.6305	0.030	2	108.6305	0.001	2	108.6305	0.001	2	108.6305	0.001	2	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:4:4:4:	4:	C[5]-3:N-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(C[5]C[5]2)(NC3)(H)2	N(CC[5]HH)(CH3)3	H(CC[5]HN)	C(C[5]C[5]2)(NC3)(H)2	N(CC[5]HH)(CH3)3	H(CC[5]HN)	108.0875	0.350	4	108.0875	0.123	4	108.0875	0.123	4	108.2866	1.100	354	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:4:4:4:	4:	C[5a]-3:N-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(C[5a]C[5a]2)(NC3)(H)2	N(CC[5a]HH)(CCHH)2(CH3)	H(CC[5a]HN)	C(C[5a]C[5a]2)(NC3)(H)2	N(CC[5a]HH)(CCHH)2(CH3)	H(CC[5a]HN)	104.4905	0.627	2	104.4905	0.393	2	106.3685	4.834	4	108.2866	1.100	354	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:4:4:4:	4:	C[5a]-3:N-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(C[5a]C[5a]N[5a])(NC3)(H)2	N(CC[5a]HH)(CH3)3	H(CC[5a]HN)	C(C[5a]C[5a]N[5a])(NC3)(H)2	N(CC[5a]HH)(CH3)3	H(CC[5a]HN)	108.2465	0.023	2	108.2465	0.001	2	106.3685	4.834	4	108.2866	1.100	354	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:4:4:4:	4:	C[6]-3:N-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(C[6]C[6]2)(NC3)(H)2	N(CC[6]HH)(CCCH)(CH3)2	H(CC[6]HN)	C(C[6]C[6]2)(NC3)(H)2	N(CC[6]HH)(CCCH)(CH3)2	H(CC[6]HN)	108.4960	0.024	2	108.4960	0.001	2	108.4258	0.015	20	108.2866	1.100	354	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:4:4:4:	4:	C[6]-3:N-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(C[6]C[6]2)(NC3)(H)2	N(CC[6]HH)(CCHH)(CH3)2	H(CC[6]HN)	C(C[6]C[6]2)(NC3)(H)2	N(CC[6]HH)(CCHH)(CH3)2	H(CC[6]HN)	108.4080	0.063	8	108.4080	0.004	8	108.4258	0.015	20	108.2866	1.100	354	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:4:4:4:	4:	C[6]-3:N-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(C[6]C[6]2)(NC3)(H)2	N(CC[6]HH)(CCHH)3	H(CC[6]HN)	C(C[6]C[6]2)(NC3)(H)2	N(CC[6]HH)(CCHH)3	H(CC[6]HN)	108.4245	0.186	8	108.4245	0.035	8	108.4258	0.015	20	108.2866	1.100	354	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:4:4:4:	4:	C[6]-3:N-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(C[6]C[6]N[6])(NC3)(H)2	N(CC[6a]HH)(CC[6]HH)(CCHH)(CH3)	H(CC[6]HN)	C(C[6]C[6]N[6])(NC3)(H)2	N(CC[6a]HH)(CC[6]HH)(CCHH)(CH3)	H(CC[6]HN)	108.4320	0.081	2	108.4320	0.006	2	108.4258	0.015	20	108.2866	1.100	354	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:4:4:4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:B-4:C-4:C-4:	C-4:	C(C[6a]C[6a]2)(NBCC)(H)2	N(CC[6a]HH)(BC[6a]3)(CH3)2	H(CC[6a]HN)	C(C[6a]C[6a]2)(NBCC)(H)2	N(CC[6a]HH)(BC[6a]3)(CH3)2	H(CC[6a]HN)	107.9140	0.000	1	107.9140	0.000	1	107.9140	0.000	1	108.2866	1.100	354	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:4:4:4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(C[6a]C[6a,6a]2)(NC3)(H)2	N(CC[6a]HH)(CH3)3	H(CC[6a]HN)	C(C[6a]C[6a,6a]2)(NC3)(H)2	N(CC[6a]HH)(CH3)3	H(CC[6a]HN)	107.9805	0.083	4	107.9805	0.007	4	108.3086	1.092	323	108.2866	1.100	354	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:4:4:4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(NC3)(H)2	N(CC[6a]HH)(CH3)3	H(CC[6a]HN)	C(C[6a]C[6a,6a]C[6a])(NC3)(H)2	N(CC[6a]HH)(CH3)3	H(CC[6a]HN)	109.3363	0.477	4	109.3363	0.228	4	108.3086	1.092	323	108.2866	1.100	354	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:4:4:4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(C[6a]C[6a]2)(NC3)(H)2	N(CC[6a]CH)2(CC[6a]HH)(CH3)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC3)(H)2	N(CC[6a]CH)2(CC[6a]HH)(CH3)	H(CC[6a]HN)	108.4345	0.035	2	108.4345	0.001	2	108.3086	1.092	323	108.2866	1.100	354	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:4:4:4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(C[6a]C[6a]2)(NC3)(H)2	N(CC[6a]HH)(CCHH)(CH3)2	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC3)(H)2	N(CC[6a]HH)(CCHH)(CH3)2	H(CC[6a]HN)	108.3387	1.446	45	108.3387	2.090	45	108.3086	1.092	323	108.2866	1.100	354	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:4:4:4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(C[6a]C[6a]2)(NC3)(H)2	N(CC[6a]HH)(CCHH)2(CH3)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC3)(H)2	N(CC[6a]HH)(CCHH)2(CH3)	H(CC[6a]HN)	108.3035	0.049	4	108.3035	0.002	4	108.3086	1.092	323	108.2866	1.100	354	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:4:4:4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(C[6a]C[6a]2)(NC3)(H)2	N(CC[6a]HH)(CCHH)3	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC3)(H)2	N(CC[6a]HH)(CCHH)3	H(CC[6a]HN)	108.1628	0.664	71	108.1628	0.440	71	108.3086	1.092	323	108.2866	1.100	354	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:4:4:4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(C[6a]C[6a]2)(NC3)(H)2	N(CC[6a]HH)(CH3)3	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC3)(H)2	N(CC[6a]HH)(CH3)3	H(CC[6a]HN)	108.1938	1.306	105	108.1938	1.706	105	108.3086	1.092	323	108.2866	1.100	354	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:4:4:4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(C[6a]C[6a]2)(NC3)(H)2	N(CC[6a]HH)2(CCCH)(CH3)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC3)(H)2	N(CC[6a]HH)2(CCCH)(CH3)	H(CC[6a]HN)	109.0217	0.269	3	109.0217	0.072	3	108.3086	1.092	323	108.2866	1.100	354	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:4:4:4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(C[6a]C[6a]2)(NC3)(H)2	N(CC[6a]HH)2(CCHH)2	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC3)(H)2	N(CC[6a]HH)2(CCHH)2	H(CC[6a]HN)	108.3685	0.264	12	108.3685	0.070	12	108.3086	1.092	323	108.2866	1.100	354	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:4:4:4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(C[6a]C[6a]2)(NC3)(H)2	N(CC[6a]HH)2(CH3)2	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC3)(H)2	N(CC[6a]HH)2(CH3)2	H(CC[6a]HN)	108.5495	0.195	55	108.5495	0.038	55	108.3086	1.092	323	108.2866	1.100	354	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:4:4:4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(C[6a]C[6a]2)(NC3)(H)2	N(CC[6a]HH)3(CH3)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC3)(H)2	N(CC[6a]HH)3(CH3)	H(CC[6a]HN)	107.0035	2.726	4	107.0035	7.433	4	108.3086	1.092	323	108.2866	1.100	354	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:4:4:4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(C[6a]C[6a]2)(NC3)(H)2	N(CC[6a]HH)4	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC3)(H)2	N(CC[6a]HH)4	H(CC[6a]HN)	108.8556	0.457	12	108.8556	0.209	12	108.3086	1.092	323	108.2866	1.100	354	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:4:4:4:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(C[6a]C[6a]N[6a])(NC3)(H)2	N(CC[6a]HH)(CC[6]HH)(CCHH)(CH3)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NC3)(H)2	N(CC[6a]HH)(CC[6]HH)(CCHH)(CH3)	H(CC[6a]HN)	108.5920	0.006	2	108.5920	0.000	2	108.3086	1.092	323	108.2866	1.100	354	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:4:4:4:	4:	N[5a]-3:N-4:H-1:H-1:	C-4:In-4:C-4:C-4:	C-4:	C(N[5a]C[5a,6a]2)(NInCC)(H)2	N(CN[5a]HH)(InC3)(CH3)2	H(CN[5a]HN)	C(N[5a]C[5a,6a]2)(NInCC)(H)2	N(CN[5a]HH)(InC3)(CH3)2	H(CN[5a]HN)	107.7715	2.330	2	107.7715	5.429	2	107.7715	5.429	2	108.2866	1.100	354	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:4:5:1:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:C-4:B-5:H-1:	C-4:	C(C[6a]C[6a]2)(NBCH)(H)2	N(CC[6a]HH)2(BCaH3)(H)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NBCH)(H)2	N(CC[6a]HH)2(BCaH3)(H)	H(CC[6a]HN)	109.2395	0.422	4	109.2395	0.178	4	109.2395	0.178	4	109.2395	0.178	4	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:1:1:	4:6:1:1:	4:	C[6a]-3:N-4:H-1:H-1:	C-4:In-6:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NInHH)(H)2	N(CC[6a]HH)(InNNO3)(H)2	H(CC[6a]HN)	C(C[6a]C[6a]2)(NInHH)(H)2	N(CC[6a]HH)(InNNO3)(H)2	H(CC[6a]HN)	108.8590	0.229	4	108.8590	0.052	4	108.8590	0.052	4	108.8590	0.052	4	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:3:1:	4:1:1:1:	4:	C-3:N-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CN[5]O)(NH3)(CCH)(H)	N(CCCH)(H)3	H(CCCN)	C(CN[5]O)(NH3)(CCH)(H)	N(CCCH)(H)3	H(CCCN)	106.1980	0.000	1	106.1980	0.000	1	106.1980	0.000	1	107.8429	1.630	21	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:3:1:	4:1:1:1:	4:	C[6]-3:N-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]2)(NH3)(CNO)(H)	N(CC[6]CH)(H)3	H(CC[6]CN)	C(C[6]C[6]2)(NH3)(CNO)(H)	N(CC[6]CH)(H)3	H(CC[6]CN)	104.0070	0.000	1	104.0070	0.000	1	104.0070	0.000	1	107.8429	1.630	21	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:3:1:	4:1:1:1:	4:	C[6a]-3:N-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a,6a]C[6a])(NH3)(CCH)(H)	N(CC[6a]CH)(H)3	H(CC[6a]CN)	C(C[6a]C[6a,6a]C[6a])(NH3)(CCH)(H)	N(CC[6a]CH)(H)3	H(CC[6a]CN)	108.2540	0.000	1	108.2540	0.000	1	108.1314	0.756	19	107.8429	1.630	21	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:3:1:	4:1:1:1:	4:	C[6a]-3:N-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NH3)(CNO)(H)	N(CC[6a]CH)(H)3	H(CC[6a]CN)	C(C[6a]C[6a]2)(NH3)(CNO)(H)	N(CC[6a]CH)(H)3	H(CC[6a]CN)	108.4455	1.187	2	108.4455	1.410	2	108.1314	0.756	19	107.8429	1.630	21	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:3:1:	4:1:1:1:	4:	C[6a]-3:N-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NH3)(COO)(H)	N(CC[6a]CH)(H)3	H(CC[6a]CN)	C(C[6a]C[6a]2)(NH3)(COO)(H)	N(CC[6a]CH)(H)3	H(CC[6a]CN)	108.0844	0.892	16	108.0844	0.796	16	108.1314	0.756	19	107.8429	1.630	21	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:N-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NCHH)(COO)(H)	N(CC[6a]CH)(CC[6a]H)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(NCHH)(COO)(H)	N(CC[6a]CH)(CC[6a]H)(H)2	H(CC[6a]CN)	108.1570	0.000	1	108.1570	0.000	1	108.1570	0.000	1	108.1570	0.000	1	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:3:1:	4:4:1:1:	4:	C[6]-3:N-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2)(NCHH)(COO)(H)	N(CC[6]CH)(CC[6]HH)(H)2	H(CC[6]CN)	C(C[6]C[6]2)(NCHH)(COO)(H)	N(CC[6]CH)(CC[6]HH)(H)2	H(CC[6]CN)	99.7585	1.907	2	99.7585	3.637	2	99.7585	3.637	2	106.3744	17.364	8	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:N-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[5,6a]C[6a])(NCHH)(CCH)(H)	N(CC[6a]CH)(CCHH)(H)2	H(CC[6a]CN)	C(C[6a]C[5,6a]C[6a])(NCHH)(CCH)(H)	N(CC[6a]CH)(CCHH)(H)2	H(CC[6a]CN)	108.9900	0.000	1	108.9900	0.000	1	108.5797	0.238	6	106.3744	17.364	8	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:N-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[5a,6a]C[6a])(NCHH)(CCH)(H)	N(CC[6a]CH)(CCCH)(H)2	H(CC[6a]CN)	C(C[6a]C[5a,6a]C[6a])(NCHH)(CCH)(H)	N(CC[6a]CH)(CCCH)(H)2	H(CC[6a]CN)	109.1470	0.000	1	109.1470	0.000	1	108.5797	0.238	6	106.3744	17.364	8	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:N-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NCHH)(CCH)(H)	N(CC[6a]CH)(CH3)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(NCHH)(CCH)(H)	N(CC[6a]CH)(CH3)(H)2	H(CC[6a]CN)	107.8220	0.000	1	107.8220	0.000	1	108.5797	0.238	6	106.3744	17.364	8	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:N-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NCHH)(CCO)(H)	N(CC[6a]CH)(CH3)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(NCHH)(CCO)(H)	N(CC[6a]CH)(CH3)(H)2	H(CC[6a]CN)	108.4530	0.000	1	108.4530	0.000	1	108.5797	0.238	6	106.3744	17.364	8	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:N-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NCHH)(CNO)(H)	N(CC[6a]CH)(CCCP)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(NCHH)(CNO)(H)	N(CC[6a]CH)(CCCP)(H)2	H(CC[6a]CN)	108.7620	0.000	1	108.7620	0.000	1	108.5797	0.238	6	106.3744	17.364	8	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:N-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NCHH)(CNO)(H)	N(CC[6a]CH)2(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(NCHH)(CNO)(H)	N(CC[6a]CH)2(H)2	H(CC[6a]CN)	108.3040	0.000	1	108.3040	0.000	1	108.5797	0.238	6	106.3744	17.364	8	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:4:1:	3:4:1:1:	4:	C[6a]-3:N-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NC[6a]HH)(CCCO)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6a]HH)(CCCO)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(H)2	H(CC[6a]CN)	107.0450	0.000	1	107.0450	0.000	1	107.0450	0.000	1	106.9580	0.015	2	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:4:1:	3:4:1:1:	4:	C[6a]-3:N-4:P-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NC[6a]HH)(PO3)(H)	N(C[6a]C[6a]2)(CC[6a]HP)(H)2	H(CC[6a]NP)	C(C[6a]C[6a]2)(NC[6a]HH)(PO3)(H)	N(C[6a]C[6a]2)(CC[6a]HP)(H)2	H(CC[6a]NP)	106.8710	0.000	1	106.8710	0.000	1	106.8710	0.000	1	106.9580	0.015	2	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:4:1:	4:1:1:1:	4:	C-3:C-4:N-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[5]F)(CH3)(NH3)(H)	N(CCCH)(H)3	H(CCCN)	C(CC[5]F)(CH3)(NH3)(H)	N(CCCH)(H)3	H(CCCN)	108.7050	0.000	1	108.7050	0.000	1	107.5413	1.069	3	107.7751	0.519	367	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:4:1:	4:1:1:1:	4:	C-3:C-4:N-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CN[5]O)(CH3)(NH3)(H)	N(CCCH)(H)3	H(CCCN)	C(CN[5]O)(CH3)(NH3)(H)	N(CCCH)(H)3	H(CCCN)	106.9595	0.326	2	106.9595	0.106	2	107.5413	1.069	3	107.7751	0.519	367	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:4:1:	4:1:1:1:	4:	C[6]-3:C-4:N-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]2)(CC[6]HO)(NH3)(H)	N(CC[6]CH)(H)3	H(CC[6]CN)	C(C[6]C[6]2)(CC[6]HO)(NH3)(H)	N(CC[6]CH)(H)3	H(CC[6]CN)	108.2945	0.648	2	108.2945	0.420	2	108.2147	0.229	3	107.7751	0.519	367	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:4:1:	4:1:1:1:	4:	C[6]-3:C-4:N-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]2)(CH3)(NH3)(H)	N(CC[6]CH)(H)3	H(CC[6]CN)	C(C[6]C[6]2)(CH3)(NH3)(H)	N(CC[6]CH)(H)3	H(CC[6]CN)	108.0550	0.000	1	108.0550	0.000	1	108.2147	0.229	3	107.7751	0.519	367	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:C-4:N-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a,6a]C[6a])(CC[6a]HN)(NH3)(H)	N(CC[6a]CH)(H)3	H(CC[6a]CN)	C(C[6a]C[6a,6a]C[6a])(CC[6a]HN)(NH3)(H)	N(CC[6a]CH)(H)3	H(CC[6a]CN)	108.4970	0.667	3	108.4970	0.445	3	107.7734	0.519	361	107.7751	0.519	367	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:C-4:N-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a,6a]C[6a])(CH3)(NH3)(H)	N(CC[6a]CH)(H)3	H(CC[6a]CN)	C(C[6a]C[6a,6a]C[6a])(CH3)(NH3)(H)	N(CC[6a]CH)(H)3	H(CC[6a]CN)	107.6424	1.107	9	107.6424	1.225	9	107.7734	0.519	361	107.7751	0.519	367	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:C-4:N-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(NH3)(H)	N(CC[6a]CH)(H)3	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCCH)(NH3)(H)	N(CC[6a]CH)(H)3	H(CC[6a]CN)	105.8790	0.000	1	105.8790	0.000	1	107.7734	0.519	361	107.7751	0.519	367	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:C-4:N-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(NH3)(H)	N(CC[6a]CH)(H)3	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHH)(NH3)(H)	N(CC[6a]CH)(H)3	H(CC[6a]CN)	107.9327	0.341	8	107.9327	0.116	8	107.7734	0.519	361	107.7751	0.519	367	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:C-4:N-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(NH3)(H)	N(CC[6a]CH)(H)3	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]CH)(NH3)(H)	N(CC[6a]CH)(H)3	H(CC[6a]CN)	108.0387	0.234	3	108.0387	0.055	3	107.7734	0.519	361	107.7751	0.519	367	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:C-4:N-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NH3)(H)	N(CC[6a]CH)(H)3	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NH3)(H)	N(CC[6a]CH)(H)3	H(CC[6a]CN)	107.7379	0.960	30	107.7379	0.921	30	107.7734	0.519	361	107.7751	0.519	367	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:C-4:N-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(NH3)(H)	N(CC[6a]CH)(H)3	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HO)(NH3)(H)	N(CC[6a]CH)(H)3	H(CC[6a]CN)	107.7094	0.546	53	107.7094	0.299	53	107.7734	0.519	361	107.7751	0.519	367	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:C-4:N-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CH3)(NH3)(H)	N(CC[6a]CH)(H)3	H(CC[6a]CN)	C(C[6a]C[6a]2)(CH3)(NH3)(H)	N(CC[6a]CH)(H)3	H(CC[6a]CN)	107.7888	0.712	251	107.7888	0.506	251	107.7734	0.519	361	107.7751	0.519	367	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:C-4:N-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHO)(NH3)(H)	N(CC[6a]CH)(H)3	H(CC[6a]CN)	C(C[6a]C[6a]2)(CHHO)(NH3)(H)	N(CC[6a]CH)(H)3	H(CC[6a]CN)	107.9080	0.000	1	107.9080	0.000	1	107.7734	0.519	361	107.7751	0.519	367	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:C-4:N-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]N[6a])(CCCH)(NH3)(H)	N(CC[6a]CH)(H)3	H(CC[6a]CN)	C(C[6a]C[6a]N[6a])(CCCH)(NH3)(H)	N(CC[6a]CH)(H)3	H(CC[6a]CN)	107.4195	0.015	2	107.4195	0.000	2	107.7734	0.519	361	107.7751	0.519	367	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:4:1:	4:2:1:1:	4:	C-3:N-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[6a]O)(NHHO)(CH3)(H)	N(CCCH)(OH)(H)2	H(CCCN)	C(CC[6a]O)(NHHO)(CH3)(H)	N(CCCH)(OH)(H)2	H(CCCN)	109.3960	0.000	1	109.3960	0.000	1	109.3960	0.000	1	109.3960	0.000	1	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:4:1:	4:4:1:1:	4:	C-3:C-4:N-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]O)(CHHO)(NCHH)(H)	N(CCCH)(CH3)(H)2	H(CCCN)	C(CC[6a]O)(CHHO)(NCHH)(H)	N(CCCH)(CH3)(H)2	H(CCCN)	108.7910	0.000	1	108.7910	0.000	1	108.7910	0.000	1	107.5958	3.140	71	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:4:1:	4:4:1:1:	4:	C-3:N-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]C)(NCHH)(CH3)(H)	N(CC[6a]HH)(CCCH)(H)2	H(CCCN)	C(CC[6a]C)(NCHH)(CH3)(H)	N(CC[6a]HH)(CCCH)(H)2	H(CCCN)	108.5600	0.000	1	108.5600	0.000	1	107.8530	2.926	23	107.5958	3.140	71	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:4:1:	4:4:1:1:	4:	C-3:N-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]O)(NCHH)(CH3)(H)	N(CCCH)(CC3)(H)2	H(CCCN)	C(CC[6a]O)(NCHH)(CH3)(H)	N(CCCH)(CC3)(H)2	H(CCCN)	109.6060	3.335	2	109.6060	11.120	2	107.8530	2.926	23	107.5958	3.140	71	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:4:1:	4:4:1:1:	4:	C-3:N-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]O)(NCHH)(CH3)(H)	N(CCCH)(CCHH)(H)2	H(CCCN)	C(CC[6a]O)(NCHH)(CH3)(H)	N(CCCH)(CCHH)(H)2	H(CCCN)	109.5045	0.189	2	109.5045	0.036	2	107.8530	2.926	23	107.5958	3.140	71	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:4:1:	4:4:1:1:	4:	C-3:N-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]O)(NCHH)(CH3)(H)	N(CCCH)(CH3)(H)2	H(CCCN)	C(CC[6a]O)(NCHH)(CH3)(H)	N(CCCH)(CH3)(H)2	H(CCCN)	106.8106	1.000	14	106.8106	0.999	14	107.8530	2.926	23	107.5958	3.140	71	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:4:1:	4:4:1:1:	4:	C-3:N-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[5]O)(NCHH)(CH3)(H)	N(CCCH)2(H)2	H(CCCN)	C(CN[5]O)(NCHH)(CH3)(H)	N(CCCH)2(H)2	H(CCCN)	109.7597	0.281	3	109.7597	0.079	3	107.8530	2.926	23	107.5958	3.140	71	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:4:1:	4:4:1:1:	4:	C-3:N-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[6]O)(NCHH)(CH3)(H)	N(CCCH)2(H)2	H(CCCN)	C(CN[6]O)(NCHH)(CH3)(H)	N(CCCH)2(H)2	H(CCCN)	109.2110	0.000	1	109.2110	0.000	1	107.8530	2.926	23	107.5958	3.140	71	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:4:1:	4:4:1:1:	4:	C[5a]-3:C-4:N-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5a]N[5a]2)(CCCH)(NCHH)(H)	N(CC[5a]CH)(CCHH)(H)2	H(CC[5a]CN)	C(C[5a]N[5a]2)(CCCH)(NCHH)(H)	N(CC[5a]CH)(CCHH)(H)2	H(CC[5a]CN)	108.1200	1.001	2	108.1200	1.003	2	108.1200	1.003	2	107.5958	3.140	71	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C-4:N-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(NCHH)(H)	N(CC[6a]CH)2(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCCH)(NCHH)(H)	N(CC[6a]CH)2(H)2	H(CC[6a]CN)	107.5433	0.327	3	107.5433	0.107	3	107.8002	0.245	14	107.5958	3.140	71	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C-4:N-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(NCHH)(H)	N(CC[6a]CH)2(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHH)(NCHH)(H)	N(CC[6a]CH)2(H)2	H(CC[6a]CN)	107.7107	0.651	3	107.7107	0.424	3	107.8002	0.245	14	107.5958	3.140	71	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C-4:N-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(NCHH)(H)	N(CC[6a]CH)(CC[6a]HH)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HH)(NCHH)(H)	N(CC[6a]CH)(CC[6a]HH)(H)2	H(CC[6a]CN)	107.7600	0.000	1	107.7600	0.000	1	107.8002	0.245	14	107.5958	3.140	71	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C-4:N-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(NCHH)(H)	N(CC[6a]CH)2(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HH)(NCHH)(H)	N(CC[6a]CH)2(H)2	H(CC[6a]CN)	107.7400	0.817	3	107.7400	0.667	3	107.8002	0.245	14	107.5958	3.140	71	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C-4:N-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NCHH)(H)	N(CC[6a]CH)(CH3)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NCHH)(H)	N(CC[6a]CH)(CH3)(H)2	H(CC[6a]CN)	108.3590	0.000	1	108.3590	0.000	1	107.8002	0.245	14	107.5958	3.140	71	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C-4:N-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHO)(NCHH)(H)	N(CC[6a]CH)2(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(CHHO)(NCHH)(H)	N(CC[6a]CH)2(H)2	H(CC[6a]CN)	108.0340	0.194	3	108.0340	0.038	3	107.8002	0.245	14	107.5958	3.140	71	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C-4:N-4:H-1:	C-4:S-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHS)(NHHS)(H)	N(CC[6a]CH)(SC[6a]OO)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHS)(NHHS)(H)	N(CC[6a]CH)(SC[6a]OO)(H)2	H(CC[6a]CN)	107.5085	0.262	2	107.5085	0.069	2	107.5085	0.069	2	107.5958	3.140	71	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:N-4:C-4:H-1:	C-4:B-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NBHH)(CH3)(H)	N(CC[6a]CH)(BC[6a]3)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(NBHH)(CH3)(H)	N(CC[6a]CH)(BC[6a]3)(H)2	H(CC[6a]CN)	107.9510	0.000	1	107.9510	0.000	1	107.9510	0.000	1	107.5958	3.140	71	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:N-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a,6a]C[6a])(NCHH)(CH3)(H)	N(CC[6a]CH)(CCHH)(H)2	H(CC[6a]CN)	C(C[6a]C[6a,6a]C[6a])(NCHH)(CH3)(H)	N(CC[6a]CH)(CCHH)(H)2	H(CC[6a]CN)	108.0970	0.150	2	108.0970	0.022	2	106.9021	8.826	15	107.5958	3.140	71	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:N-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NCHH)(CH3)(H)	N(CC[6,6]HH)(CC[6a]CH)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(NCHH)(CH3)(H)	N(CC[6,6]HH)(CC[6a]CH)(H)2	H(CC[6a]CN)	108.1030	0.000	1	108.1030	0.000	1	106.9021	8.826	15	107.5958	3.140	71	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:N-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NCHH)(CH3)(H)	N(CC[6a]CH)(CC[6a]HH)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(NCHH)(CH3)(H)	N(CC[6a]CH)(CC[6a]HH)(H)2	H(CC[6a]CN)	103.5060	0.000	1	103.5060	0.000	1	106.9021	8.826	15	107.5958	3.140	71	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:N-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NCHH)(CH3)(H)	N(CC[6a]CH)(CH3)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(NCHH)(CH3)(H)	N(CC[6a]CH)(CH3)(H)2	H(CC[6a]CN)	107.9630	0.000	1	107.9630	0.000	1	106.9021	8.826	15	107.5958	3.140	71	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:N-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NCHH)(CH3)(H)	N(CC[6a]CH)2(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(NCHH)(CH3)(H)	N(CC[6a]CH)2(H)2	H(CC[6a]CN)	106.6415	3.619	9	106.6415	13.099	9	106.9021	8.826	15	107.5958	3.140	71	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:N-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NCHH)(CH3)(H)	N(CC[6a]PtH)(CC[6a]CH)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(NCHH)(CH3)(H)	N(CC[6a]PtH)(CC[6a]CH)(H)2	H(CC[6a]CN)	107.9920	0.000	1	107.9920	0.000	1	106.9021	8.826	15	107.5958	3.140	71	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:N-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NC[5]HH)(CH3)(H)	N(C[5]C[5]2H)(CC[6a]CH)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[5]HH)(CH3)(H)	N(C[5]C[5]2H)(CC[6a]CH)(H)2	H(CC[6a]CN)	108.1358	0.150	4	108.1358	0.023	4	108.1358	0.023	4	107.5958	3.140	71	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:N-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a,6a]C[6a])(NC[6]HH)(CH3)(H)	N(C[6]C[6,6a]C[6]H)(CC[6a]CH)(H)2	H(CC[6a]CN)	C(C[6a]C[6a,6a]C[6a])(NC[6]HH)(CH3)(H)	N(C[6]C[6,6a]C[6]H)(CC[6a]CH)(H)2	H(CC[6a]CN)	107.6080	1.237	2	107.6080	1.531	2	107.9420	0.452	6	107.5958	3.140	71	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:N-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NC[6]HH)(CH3)(H)	N(C[6]C[6]2H)(CC[6a]CH)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6]HH)(CH3)(H)	N(C[6]C[6]2H)(CC[6a]CH)(H)2	H(CC[6a]CN)	108.1090	0.362	4	108.1090	0.131	4	107.9420	0.452	6	107.5958	3.140	71	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:N-4:P-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a,6a]C[6a])(NCHH)(PO3)(H)	N(CC[6a]HP)(CCHH)(H)2	H(CC[6a]NP)	C(C[6a]C[6a,6a]C[6a])(NCHH)(PO3)(H)	N(CC[6a]HP)(CCHH)(H)2	H(CC[6a]NP)	104.3850	0.000	1	104.3850	0.000	1	105.9177	1.764	3	107.5958	3.140	71	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:N-4:P-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NCHH)(PO3)(H)	N(CC[6a]HH)(CC[6a]HP)(H)2	H(CC[6a]NP)	C(C[6a]C[6a]2)(NCHH)(PO3)(H)	N(CC[6a]HH)(CC[6a]HP)(H)2	H(CC[6a]NP)	106.6420	0.000	1	106.6420	0.000	1	105.9177	1.764	3	107.5958	3.140	71	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:N-4:P-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NCHH)(PO3)(H)	N(CC[6a]HP)(CCHH)(H)2	H(CC[6a]NP)	C(C[6a]C[6a]2)(NCHH)(PO3)(H)	N(CC[6a]HP)(CCHH)(H)2	H(CC[6a]NP)	106.7260	0.000	1	106.7260	0.000	1	105.9177	1.764	3	107.5958	3.140	71	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:4:1:	4:4:4:1:	4:	C[6a]-3:N-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(NCCH)(CH3)(H)	N(CC[6a]CH)(CCCH)(CCHH)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NCCH)(CH3)(H)	N(CC[6a]CH)(CCCH)(CCHH)(H)	H(CC[6a]CN)	106.2500	0.000	1	106.2500	0.000	1	107.0975	1.437	2	106.3487	0.815	6	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:4:1:	4:4:4:1:	4:	C[6a]-3:N-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(NCCH)(CH3)(H)	N(CC[6a]CH)(CC[6a]HH)(CC[3]HH)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NCCH)(CH3)(H)	N(CC[6a]CH)(CC[6a]HH)(CC[3]HH)(H)	H(CC[6a]CN)	107.9450	0.000	1	107.9450	0.000	1	107.0975	1.437	2	106.3487	0.815	6	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:4:1:	4:4:4:1:	4:	C[6a]-3:N-4:C-4:H-1:	C-4:C-4:P-4:H-1:	C-4:	C(C[6a]C[6a]2)(NCHP)(CH3)(H)	N(CC[6a]CH)2(PPdOO)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NCHP)(CH3)(H)	N(CC[6a]CH)2(PPdOO)(H)	H(CC[6a]CN)	105.9743	0.565	4	105.9743	0.319	4	105.9743	0.319	4	106.3487	0.815	6	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:4:1:	4:4:4:4:	4:	C[6a]-3:C-4:N-4:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CH3)(NC3)(H)	N(CC[6a]CH)(CH3)3	H(CC[6a]CN)	C(C[6a]C[6a,6a]C[6a])(CH3)(NC3)(H)	N(CC[6a]CH)(CH3)3	H(CC[6a]CN)	106.7170	0.464	2	106.7170	0.215	2	106.3009	1.019	7	106.3009	1.019	7	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:4:1:	4:4:4:4:	4:	C[6a]-3:C-4:N-4:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(NC3)(H)	N(CC[6a]CH)(CH3)3	H(CC[6a]CN)	C(C[6a]C[6a]2)(CH3)(NC3)(H)	N(CC[6a]CH)(CH3)3	H(CC[6a]CN)	106.6567	0.752	3	106.6567	0.566	3	106.3009	1.019	7	106.3009	1.019	7	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:4:1:	4:4:4:4:	4:	C[6a]-3:C-4:N-4:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(NC3)(H)	N(CC[6a]CH)2(CC[6a]HH)(CH3)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CH3)(NC3)(H)	N(CC[6a]CH)2(CC[6a]HH)(CH3)	H(CC[6a]CN)	104.2940	0.000	1	104.2940	0.000	1	106.3009	1.019	7	106.3009	1.019	7	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	3:4:4:1:	4:4:4:4:	4:	C[6a]-3:C-4:N-4:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(C[6a]C[6a]2)(CHHO)(NC3)(H)	N(CC[6a]CH)2(CC[6a]HH)(CH3)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CHHO)(NC3)(H)	N(CC[6a]CH)2(CC[6a]HH)(CH3)	H(CC[6a]CN)	106.4080	0.000	1	106.4080	0.000	1	106.3009	1.019	7	106.3009	1.019	7	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	2:4:4:4:	4:	N-4:H-1:H-1:H-1:	C-2:C-4:C-4:C-4:	C-4:	C(NC3)(H)3	N(CC[6a])(CH3)3	H(CHHN)	C(NC3)(H)3	N(CC[6a])(CH3)3	H(CHHN)	109.4824	0.039	10	109.4824	0.002	10	109.4824	0.002	10	109.4824	0.002	10	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	3:4:1:1:	4:	N-4:H-1:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(NC[6a]HH)(H)3	N(C[6a]C[6a,6a]C[6a])(CH3)(H)2	H(CHHN)	C(NC[6a]HH)(H)3	N(C[6a]C[6a,6a]C[6a])(CH3)(H)2	H(CHHN)	109.4703	0.016	3	109.4703	0.000	3	109.4724	0.001	16	109.4724	0.001	16	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	3:4:1:1:	4:	N-4:H-1:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(NC[6a]HH)(H)3	N(C[6a]C[6a]2)(CH3)(H)2	H(CHHN)	C(NC[6a]HH)(H)3	N(C[6a]C[6a]2)(CH3)(H)2	H(CHHN)	109.4729	0.029	13	109.4729	0.001	13	109.4724	0.001	16	109.4724	0.001	16	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	3:4:4:1:	4:	N-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(NC[6a]CH)(H)3	N(C[6a]C[6a,6a]C[6a])(CH3)2(H)	H(CHHN)	C(NC[6a]CH)(H)3	N(C[6a]C[6a,6a]C[6a])(CH3)2(H)	H(CHHN)	109.0260	1.055	338	109.0260	1.114	338	109.0826	1.448	514	109.0863	1.435	519	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	3:4:4:1:	4:	N-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(NC[6a]CH)(H)3	N(C[6a]C[6a]2)(CCCH)(CH3)(H)	H(CHHN)	C(NC[6a]CH)(H)3	N(C[6a]C[6a]2)(CCCH)(CH3)(H)	H(CHHN)	109.4637	0.304	9	109.4637	0.093	9	109.0826	1.448	514	109.0863	1.435	519	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	3:4:4:1:	4:	N-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(NC[6a]CH)(H)3	N(C[6a]C[6a]2)(CC[6]CH)(CH3)(H)	H(CHHN)	C(NC[6a]CH)(H)3	N(C[6a]C[6a]2)(CC[6]CH)(CH3)(H)	H(CHHN)	109.4867	0.458	3	109.4867	0.209	3	109.0826	1.448	514	109.0863	1.435	519	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	3:4:4:1:	4:	N-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(NC[6a]CH)(H)3	N(C[6a]C[6a]2)(CH3)2(H)	H(CHHN)	C(NC[6a]CH)(H)3	N(C[6a]C[6a]2)(CH3)2(H)	H(CHHN)	109.2275	1.469	158	109.2275	2.158	158	109.0826	1.448	514	109.0863	1.435	519	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	3:4:4:1:	4:	N-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(NC[6a]CH)(H)3	N(C[6a]C[6a]N[6a])(CH3)2(H)	H(CHHN)	C(NC[6a]CH)(H)3	N(C[6a]C[6a]N[6a])(CH3)2(H)	H(CHHN)	107.6825	1.379	6	107.6825	1.903	6	109.0826	1.448	514	109.0863	1.435	519	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	3:4:4:1:	4:	N-4:H-1:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(NCHN)(H)3	N(NC[6]H)(CH3)2(H)	H(CHHN)	C(NCHN)(H)3	N(NC[6]H)(CH3)2(H)	H(CHHN)	109.4670	0.025	5	109.4670	0.001	5	109.4670	0.001	5	109.0863	1.435	519	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	3:4:4:3:	4:	N-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:C-3:	C-4:	C(NC[6a]CC)(H)3	N(C[6a]C[6a]2)(CH3)2(CCC)	H(CHHN)	C(NC[6a]CC)(H)3	N(C[6a]C[6a]2)(CH3)2(CCC)	H(CHHN)	109.4696	0.040	5	109.4696	0.002	5	109.4696	0.002	5	109.4696	0.002	5	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	3:4:4:4:	4:	N-4:Cl-1:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(NC[6a]CC)(Cl)(H)2	N(C[6a]C[6a]2)(CClHH)(CH3)2	H(CClHN)	C(NC[6a]CC)(Cl)(H)2	N(C[6a]C[6a]2)(CClHH)(CH3)2	H(CClHN)	109.1290	0.014	2	109.1290	0.000	2	109.1290	0.000	2	109.3497	3.675	433	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	3:4:4:4:	4:	N-4:H-1:H-1:H-1:	C[5]-3:C-4:C-4:C-4:	C-4:	C(NC[5]CC)(H)3	N(C[5]C[5]N[5])(CH3)3	H(CHHN)	C(NC[5]CC)(H)3	N(C[5]C[5]N[5])(CH3)3	H(CHHN)	109.4829	0.044	17	109.4829	0.002	17	109.4829	0.002	17	109.3497	3.675	433	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	3:4:4:4:	4:	N-4:H-1:H-1:H-1:	C[5a]-3:C-4:C-4:C-4:	C-4:	C(NC[5a]CC)(H)3	N(C[5a]N[5a,6]C[5a])(CH3)3	H(CHHN)	C(NC[5a]CC)(H)3	N(C[5a]N[5a,6]C[5a])(CH3)3	H(CHHN)	109.4882	0.021	6	109.4882	0.000	6	109.4882	0.000	6	109.3497	3.675	433	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	3:4:4:4:	4:	N-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(NC[6a]CC)(H)3	N(C[6a]C[6a]2)(CCHH)(CH3)2	H(CHHN)	C(NC[6a]CC)(H)3	N(C[6a]C[6a]2)(CCHH)(CH3)2	H(CHHN)	109.4577	0.029	6	109.4577	0.001	6	109.3410	3.958	402	109.3497	3.675	433	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	3:4:4:4:	4:	N-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(NC[6a]CC)(H)3	N(C[6a]C[6a]2)(CClHH)(CH3)2	H(CHHN)	C(NC[6a]CC)(H)3	N(C[6a]C[6a]2)(CClHH)(CH3)2	H(CHHN)	109.4646	0.018	5	109.4646	0.000	5	109.3410	3.958	402	109.3497	3.675	433	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	3:4:4:4:	4:	N-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(NC[6a]CC)(H)3	N(C[6a]C[6a]2)(CH3)3	H(CHHN)	C(NC[6a]CC)(H)3	N(C[6a]C[6a]2)(CH3)3	H(CHHN)	109.3376	2.017	391	109.3376	4.069	391	109.3410	3.958	402	109.3497	3.675	433	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	3:4:4:4:	4:	N-4:H-1:H-1:H-1:	Ga-3:C-4:C-4:C-4:	C-4:	C(NGaCC)(H)3	N(GaClCr)(CCHH)(CH3)2	H(CHHN)	C(NGaCC)(H)3	N(GaClCr)(CCHH)(CH3)2	H(CHHN)	109.4942	0.029	6	109.4942	0.001	6	109.4942	0.001	6	109.3497	3.675	433	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:1:1:1:	4:	N-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NH3)(H)3	N(CH3)(H)3	H(CHHN)	C(NH3)(H)3	N(CH3)(H)3	H(CHHN)	109.3566	1.491	447	109.3566	2.223	447	109.3566	2.223	447	109.3566	2.223	447	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:2:1:1:	4:	N-4:H-1:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(NHHO)(H)3	N(CH3)(OH)(H)2	H(CHHN)	C(NHHO)(H)3	N(CH3)(OH)(H)2	H(CHHN)	107.4900	0.952	2	107.4900	0.906	2	107.4900	0.906	2	107.4900	0.906	2	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:3:1:1:	4:	N-4:H-1:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NHHN)(H)3	N(CH3)(NCH)(H)2	H(CHHN)	C(NHHN)(H)3	N(CH3)(NCH)(H)2	H(CHHN)	109.5037	0.049	3	109.5037	0.002	3	109.4842	0.013	50	109.4842	0.013	50	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:3:1:1:	4:	N-4:H-1:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NHHN)(H)3	N(CH3)(NHH)(H)2	H(CHHN)	C(NHHN)(H)3	N(CH3)(NHH)(H)2	H(CHHN)	109.4830	0.116	47	109.4830	0.013	47	109.4842	0.013	50	109.4842	0.013	50	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:1:1:	4:	N-4:H-1:H-1:H-1:	B-4:C-4:H-1:H-1:	C-4:	C(NBHH)(H)3	N(BCHH)(CH3)(H)2	H(CHHN)	C(NBHH)(H)3	N(BCHH)(CH3)(H)2	H(CHHN)	110.9510	1.205	3	110.9510	1.452	3	109.7139	5.047	43	109.3883	1.364	2609	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:1:1:	4:	N-4:H-1:H-1:H-1:	B-4:C-4:H-1:H-1:	C-4:	C(NBHH)(H)3	N(BCl2N)(CH3)(H)2	H(CHHN)	C(NBHH)(H)3	N(BCl2N)(CH3)(H)2	H(CHHN)	108.5977	1.905	6	108.5977	3.627	6	109.7139	5.047	43	109.3883	1.364	2609	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:1:1:	4:	N-4:H-1:H-1:H-1:	B-4:C-4:H-1:H-1:	C-4:	C(NBHH)(H)3	N(BH3)(CH3)(H)2	H(CHHN)	C(NBHH)(H)3	N(BH3)(CH3)(H)2	H(CHHN)	108.9620	1.382	2	108.9620	1.909	2	109.7139	5.047	43	109.3883	1.364	2609	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:1:1:	4:	N-4:H-1:H-1:H-1:	B-4:C-4:H-1:H-1:	C-4:	C(NBHH)(H)3	N(BHHN)(CH3)(H)2	H(CHHN)	C(NBHH)(H)3	N(BHHN)(CH3)(H)2	H(CHHN)	110.0810	2.760	23	110.0810	7.617	23	109.7139	5.047	43	109.3883	1.364	2609	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:1:1:	4:	N-4:H-1:H-1:H-1:	B-4:C-4:H-1:H-1:	C-4:	C(NBHH)(H)3	N(BHHP)(CH3)(H)2	H(CHHN)	C(NBHH)(H)3	N(BHHP)(CH3)(H)2	H(CHHN)	109.1717	0.803	6	109.1717	0.645	6	109.7139	5.047	43	109.3883	1.364	2609	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:1:1:	4:	N-4:H-1:H-1:H-1:	B-4:C-4:H-1:H-1:	C-4:	C(NBHH)(H)3	N(BHHS)(CH3)(H)2	H(CHHN)	C(NBHH)(H)3	N(BHHS)(CH3)(H)2	H(CHHN)	109.4807	0.045	3	109.4807	0.002	3	109.7139	5.047	43	109.3883	1.364	2609	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:1:1:	4:	N-4:H-1:H-1:H-1:	C-4:C-4:D-1:D-1:	C-4:	C(NCDD)(H)3	N(CH3)2(D)2	H(CHHN)	C(NCDD)(H)3	N(CH3)2(D)2	H(CHHN)	109.4608	0.040	5	109.4608	0.002	5	109.4608	0.002	5	109.3883	1.364	2609	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:1:1:	4:	N-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NCHH)(H)3	N(CC3)(CH3)(H)2	H(CHHN)	C(NCHH)(H)3	N(CC3)(CH3)(H)2	H(CHHN)	109.4663	0.030	3	109.4663	0.001	3	109.3940	1.283	2494	109.3883	1.364	2609	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:1:1:	4:	N-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NCHH)(H)3	N(CCCH)(CH3)(H)2	H(CHHN)	C(NCHH)(H)3	N(CCCH)(CH3)(H)2	H(CHHN)	109.3671	1.002	175	109.3671	1.004	175	109.3940	1.283	2494	109.3883	1.364	2609	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:1:1:	4:	N-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NCHH)(H)3	N(CCHH)(CH3)(H)2	H(CHHN)	C(NCHH)(H)3	N(CCHH)(CH3)(H)2	H(CHHN)	109.2778	1.023	320	109.2778	1.047	320	109.3940	1.283	2494	109.3883	1.364	2609	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:1:1:	4:	N-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NCHH)(H)3	N(CC[5]HH)(CH3)(H)2	H(CHHN)	C(NCHH)(H)3	N(CC[5]HH)(CH3)(H)2	H(CHHN)	109.4752	0.056	38	109.4752	0.003	38	109.3940	1.283	2494	109.3883	1.364	2609	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:1:1:	4:	N-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NCHH)(H)3	N(CC[6a]2H)(CH3)(H)2	H(CHHN)	C(NCHH)(H)3	N(CC[6a]2H)(CH3)(H)2	H(CHHN)	109.4980	0.008	3	109.4980	0.000	3	109.3940	1.283	2494	109.3883	1.364	2609	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:1:1:	4:	N-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NCHH)(H)3	N(CC[6a]CC)(CH3)(H)2	H(CHHN)	C(NCHH)(H)3	N(CC[6a]CC)(CH3)(H)2	H(CHHN)	109.5347	0.031	3	109.5347	0.001	3	109.3940	1.283	2494	109.3883	1.364	2609	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:1:1:	4:	N-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NCHH)(H)3	N(CC[6a]CH)(CH3)(H)2	H(CHHN)	C(NCHH)(H)3	N(CC[6a]CH)(CH3)(H)2	H(CHHN)	109.4506	0.028	12	109.4506	0.001	12	109.3940	1.283	2494	109.3883	1.364	2609	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:1:1:	4:	N-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NCHH)(H)3	N(CC[6a]HH)(CH3)(H)2	H(CHHN)	C(NCHH)(H)3	N(CC[6a]HH)(CH3)(H)2	H(CHHN)	109.4646	0.032	39	109.4646	0.001	39	109.3940	1.283	2494	109.3883	1.364	2609	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:1:1:	4:	N-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NCHH)(H)3	N(CH3)2(H)2	H(CHHN)	C(NCHH)(H)3	N(CH3)2(H)2	H(CHHN)	109.4121	1.188	1901	109.4121	1.412	1901	109.3940	1.283	2494	109.3883	1.364	2609	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:1:1:	4:	N-4:H-1:H-1:H-1:	C[3x6]-4:C-4:H-1:H-1:	C-4:	C(NC[3x6]HH)(H)3	N(C[3x6]C[6,6]3)(CH3)(H)2	H(CHHN)	C(NC[3x6]HH)(H)3	N(C[3x6]C[6,6]3)(CH3)(H)2	H(CHHN)	109.4416	0.048	8	109.4416	0.002	8	109.4416	0.002	8	109.3883	1.364	2609	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:1:1:	4:	N-4:H-1:H-1:H-1:	C[5,6]-4:C-4:H-1:H-1:	C-4:	C(NC[5,6]HH)(H)3	N(C[5,6]C[5,5,6]C[5,6]H)(CH3)(H)2	H(CHHN)	C(NC[5,6]HH)(H)3	N(C[5,6]C[5,5,6]C[5,6]H)(CH3)(H)2	H(CHHN)	106.2482	3.035	6	106.2482	9.210	6	106.2482	9.210	6	109.3883	1.364	2609	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:1:1:	4:	N-4:H-1:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(NC[6]HH)(H)3	N(C[6]C[6,6a]C[6]H)(CH3)(H)2	H(CHHN)	C(NC[6]HH)(H)3	N(C[6]C[6,6a]C[6]H)(CH3)(H)2	H(CHHN)	109.4845	0.037	6	109.4845	0.001	6	109.1807	0.734	50	109.3883	1.364	2609	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:1:1:	4:	N-4:H-1:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(NC[6]HH)(H)3	N(C[6]C[6]2H)(CH3)(H)2	H(CHHN)	C(NC[6]HH)(H)3	N(C[6]C[6]2H)(CH3)(H)2	H(CHHN)	109.4766	0.037	23	109.4766	0.001	23	109.1807	0.734	50	109.3883	1.364	2609	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:1:1:	4:	N-4:H-1:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(NC[6]HH)(H)3	N(C[6]C[6a]C[6]2)(CH3)(H)2	H(CHHN)	C(NC[6]HH)(H)3	N(C[6]C[6a]C[6]2)(CH3)(H)2	H(CHHN)	108.7697	1.221	21	108.7697	1.490	21	109.1807	0.734	50	109.3883	1.364	2609	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:1:1:	4:	N-4:H-1:H-1:H-1:	Ga-4:C-4:H-1:H-1:	C-4:	C(NGaHH)(H)3	N(GaH3)(CH3)(H)2	H(CHHN)	C(NGaHH)(H)3	N(GaH3)(CH3)(H)2	H(CHHN)	109.4647	0.017	3	109.4647	0.000	3	109.4647	0.000	3	109.3883	1.364	2609	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:2:1:	4:	N-4:H-1:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(NCHO)(H)3	N(CCHH)(CH3)(OGa)(H)	H(CHHN)	C(NCHO)(H)3	N(CCHH)(CH3)(OGa)(H)	H(CHHN)	109.4827	0.029	3	109.4827	0.001	3	109.4827	0.001	3	109.4827	0.001	3	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:2:4:	4:	N-4:H-1:H-1:H-1:	C-4:C-4:Ge-2:C-4:	C-4:	C(NGeCC)(H)3	N(CCHH)2(GeCl)(CH3)	H(CHHN)	C(NGeCC)(H)3	N(CCHH)2(GeCl)(CH3)	H(CHHN)	109.4705	0.006	2	109.4705	0.000	2	109.4705	0.000	2	109.4705	0.000	2	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:3:1:	4:	N-4:H-1:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(NCHN)(H)3	N(CH3)2(NHH)(H)	H(CHHN)	C(NCHN)(H)3	N(CH3)2(NHH)(H)	H(CHHN)	108.1984	1.661	24	108.1984	2.759	24	108.4164	2.502	29	108.4164	2.502	29	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:3:1:	4:	N-4:H-1:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(NCHN)(H)3	N(CH3)2(NHP)(H)	H(CHHN)	C(NCHN)(H)3	N(CH3)2(NHP)(H)	H(CHHN)	109.4626	0.026	5	109.4626	0.001	5	108.4164	2.502	29	108.4164	2.502	29	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:1:	4:	N-4:H-1:H-1:H-1:	B-4:B-4:C-4:H-1:	C-4:	C(NBBH)(H)3	N(BC[5]HH)(BH3)(CH3)(H)	H(CHHN)	C(NBBH)(H)3	N(BC[5]HH)(BH3)(CH3)(H)	H(CHHN)	109.4647	0.028	3	109.4647	0.001	3	109.4770	0.456	21	109.2978	0.604	2553	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:1:	4:	N-4:H-1:H-1:H-1:	B-4:B-4:C-4:H-1:	C-4:	C(NBBH)(H)3	N(BH3)2(CH3)(H)	H(CHHN)	C(NBBH)(H)3	N(BH3)2(CH3)(H)	H(CHHN)	109.4657	0.021	4	109.4657	0.000	4	109.4770	0.456	21	109.2978	0.604	2553	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:1:	4:	N-4:H-1:H-1:H-1:	B-4:B-4:C-4:H-1:	C-4:	C(NBBH)(H)3	N(BHHN)(BH3)(CH3)(H)	H(CHHN)	C(NBBH)(H)3	N(BHHN)(BH3)(CH3)(H)	H(CHHN)	109.6522	0.466	8	109.6522	0.217	8	109.4770	0.456	21	109.2978	0.604	2553	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:1:	4:	N-4:H-1:H-1:H-1:	B-4:B-4:C-4:H-1:	C-4:	C(NBBH)(H)3	N(BHHN)2(CH3)(H)	H(CHHN)	C(NBBH)(H)3	N(BHHN)2(CH3)(H)	H(CHHN)	109.2920	1.774	3	109.2920	3.146	3	109.4770	0.456	21	109.2978	0.604	2553	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:1:	4:	N-4:H-1:H-1:H-1:	B-4:B-4:C-4:H-1:	C-4:	C(NBBH)(H)3	N(BIrHH)(BHHN)(CH3)(H)	H(CHHN)	C(NBBH)(H)3	N(BIrHH)(BHHN)(CH3)(H)	H(CHHN)	109.2217	0.615	3	109.2217	0.379	3	109.4770	0.456	21	109.2978	0.604	2553	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:1:	4:	N-4:H-1:H-1:H-1:	B-4:C-4:C-4:H-1:	C-4:	C(NBCH)(H)3	N(BCHH)(CH3)2(H)	H(CHHN)	C(NBCH)(H)3	N(BCHH)(CH3)2(H)	H(CHHN)	109.4774	0.039	5	109.4774	0.002	5	109.2582	0.323	46	109.2978	0.604	2553	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:1:	4:	N-4:H-1:H-1:H-1:	B-4:C-4:C-4:H-1:	C-4:	C(NBCH)(H)3	N(BC[6a]Br2)(CH3)2(H)	H(CHHN)	C(NBCH)(H)3	N(BC[6a]Br2)(CH3)2(H)	H(CHHN)	109.4660	0.015	4	109.4660	0.000	4	109.2582	0.323	46	109.2978	0.604	2553	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:1:	4:	N-4:H-1:H-1:H-1:	B-4:C-4:C-4:H-1:	C-4:	C(NBCH)(H)3	N(BH3)(CH3)2(H)	H(CHHN)	C(NBCH)(H)3	N(BH3)(CH3)2(H)	H(CHHN)	108.4180	1.213	5	108.4180	1.470	5	109.2582	0.323	46	109.2978	0.604	2553	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:1:	4:	N-4:H-1:H-1:H-1:	B-4:C-4:C-4:H-1:	C-4:	C(NBCH)(H)3	N(BHHN)(CH3)2(H)	H(CHHN)	C(NBCH)(H)3	N(BHHN)(CH3)2(H)	H(CHHN)	109.4830	0.033	4	109.4830	0.001	4	109.2582	0.323	46	109.2978	0.604	2553	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:1:	4:	N-4:H-1:H-1:H-1:	B-4:C-4:C-4:H-1:	C-4:	C(NBCH)(H)3	N(BHHP)(CH3)2(H)	H(CHHN)	C(NBCH)(H)3	N(BHHP)(CH3)2(H)	H(CHHN)	109.0329	0.600	10	109.0329	0.361	10	109.2582	0.323	46	109.2978	0.604	2553	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:1:	4:	N-4:H-1:H-1:H-1:	B-4:C-4:C-4:H-1:	C-4:	C(NBCH)(H)3	N(BHHS)(CH3)2(H)	H(CHHN)	C(NBCH)(H)3	N(BHHS)(CH3)2(H)	H(CHHN)	109.4597	0.034	18	109.4597	0.001	18	109.2582	0.323	46	109.2978	0.604	2553	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:1:	4:	N-4:H-1:H-1:H-1:	B[5a]-4:C-4:C-4:H-1:	C-4:	C(NB[5a]CH)(H)3	N(B[5a]B[5a]S[5a]2)(CH3)2(H)	H(CHHN)	C(NB[5a]CH)(H)3	N(B[5a]B[5a]S[5a]2)(CH3)2(H)	H(CHHN)	109.4477	0.025	4	109.4477	0.001	4	109.4477	0.001	4	109.2978	0.604	2553	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:1:	4:	N-4:H-1:H-1:H-1:	B[6,6]-4:C-4:C-4:H-1:	C-4:	C(NB[6,6]CH)(H)3	N(B[6,6]B[6,6]C[3x6]Cl)(CH3)2(H)	H(CHHN)	C(NB[6,6]CH)(H)3	N(B[6,6]B[6,6]C[3x6]Cl)(CH3)2(H)	H(CHHN)	109.4810	0.028	7	109.4810	0.001	7	109.4744	0.001	14	109.2978	0.604	2553	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:1:	4:	N-4:H-1:H-1:H-1:	B[6,6]-4:C-4:C-4:H-1:	C-4:	C(NB[6,6]CH)(H)3	N(B[6,6]B[6,6]C[3x6]N)(CH3)2(H)	H(CHHN)	C(NB[6,6]CH)(H)3	N(B[6,6]B[6,6]C[3x6]N)(CH3)2(H)	H(CHHN)	109.4677	0.032	7	109.4677	0.001	7	109.4744	0.001	14	109.2978	0.604	2553	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:1:	4:	N-4:H-1:H-1:H-1:	B[6]-4:C-4:C-4:H-1:	C-4:	C(NB[6]CH)(H)3	N(B[6]B[6]O[6]2)(CH3)2(H)	H(CHHN)	C(NB[6]CH)(H)3	N(B[6]B[6]O[6]2)(CH3)2(H)	H(CHHN)	109.4670	0.000	1	109.4670	0.000	1	109.4670	0.000	1	109.2978	0.604	2553	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:1:	4:	N-4:H-1:H-1:H-1:	C-4:C-4:C-4:D-1:	C-4:	C(NCCD)(H)3	N(CCHH)2(CH3)(D)	H(CHHN)	C(NCCD)(H)3	N(CCHH)2(CH3)(D)	H(CHHN)	109.4595	0.045	2	109.4595	0.002	2	109.4595	0.002	2	109.2978	0.604	2553	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:1:	4:	N-4:H-1:H-1:H-1:	C-4:C-4:C-4:Ge-1:	C-4:	C(NGeCC)(H)3	N(CCHH)2(CH3)(Ge)	H(CHHN)	C(NGeCC)(H)3	N(CCHH)2(CH3)(Ge)	H(CHHN)	109.4850	0.050	3	109.4850	0.003	3	109.4850	0.003	3	109.2978	0.604	2553	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:1:	4:	N-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(NCCH)(H)3	N(CBHH)(CH3)2(H)	H(CHHN)	C(NCCH)(H)3	N(CBHH)(CH3)2(H)	H(CHHN)	109.4688	0.022	5	109.4688	0.000	5	109.3054	0.590	2346	109.2978	0.604	2553	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:1:	4:	N-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(NCCH)(H)3	N(CC3)(CH3)2(H)	H(CHHN)	C(NCCH)(H)3	N(CC3)(CH3)2(H)	H(CHHN)	109.4730	0.032	5	109.4730	0.001	5	109.3054	0.590	2346	109.2978	0.604	2553	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:1:	4:	N-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(NCCH)(H)3	N(CCCH)(CCHH)(CH3)(H)	H(CHHN)	C(NCCH)(H)3	N(CCCH)(CCHH)(CH3)(H)	H(CHHN)	109.4747	0.052	3	109.4747	0.003	3	109.3054	0.590	2346	109.2978	0.604	2553	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:1:	4:	N-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(NCCH)(H)3	N(CCCH)(CH3)2(H)	H(CHHN)	C(NCCH)(H)3	N(CCCH)(CH3)2(H)	H(CHHN)	109.4704	0.029	243	109.4704	0.001	243	109.3054	0.590	2346	109.2978	0.604	2553	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:1:	4:	N-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(NCCH)(H)3	N(CCHH)(CH3)2(H)	H(CHHN)	C(NCCH)(H)3	N(CCHH)(CH3)2(H)	H(CHHN)	109.2996	0.752	1232	109.2996	0.565	1232	109.3054	0.590	2346	109.2978	0.604	2553	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:1:	4:	N-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(NCCH)(H)3	N(CCHH)(CHHP)(CH3)(H)	H(CHHN)	C(NCCH)(H)3	N(CCHH)(CHHP)(CH3)(H)	H(CHHN)	109.4636	0.027	5	109.4636	0.001	5	109.3054	0.590	2346	109.2978	0.604	2553	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:1:	4:	N-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(NCCH)(H)3	N(CCHH)2(CH3)(H)	H(CHHN)	C(NCCH)(H)3	N(CCHH)2(CH3)(H)	H(CHHN)	109.0593	1.153	92	109.0593	1.329	92	109.3054	0.590	2346	109.2978	0.604	2553	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:1:	4:	N-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(NCCH)(H)3	N(CC[4]HH)(CCHH)(CH3)(H)	H(CHHN)	C(NCCH)(H)3	N(CC[4]HH)(CCHH)(CH3)(H)	H(CHHN)	109.4703	0.027	10	109.4703	0.001	10	109.3054	0.590	2346	109.2978	0.604	2553	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:1:	4:	N-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(NCCH)(H)3	N(CC[5]CH)(CH3)2(H)	H(CHHN)	C(NCCH)(H)3	N(CC[5]CH)(CH3)2(H)	H(CHHN)	109.4602	0.038	24	109.4602	0.001	24	109.3054	0.590	2346	109.2978	0.604	2553	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:1:	4:	N-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(NCCH)(H)3	N(CC[5]HH)(CH3)2(H)	H(CHHN)	C(NCCH)(H)3	N(CC[5]HH)(CH3)2(H)	H(CHHN)	109.1616	0.690	54	109.1616	0.476	54	109.3054	0.590	2346	109.2978	0.604	2553	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:1:	4:	N-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(NCCH)(H)3	N(CC[5]HH)2(CH3)(H)	H(CHHN)	C(NCCH)(H)3	N(CC[5]HH)2(CH3)(H)	H(CHHN)	109.4867	0.016	3	109.4867	0.000	3	109.3054	0.590	2346	109.2978	0.604	2553	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:1:	4:	N-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(NCCH)(H)3	N(CC[5a]HH)(CH3)2(H)	H(CHHN)	C(NCCH)(H)3	N(CC[5a]HH)(CH3)2(H)	H(CHHN)	109.4636	0.035	25	109.4636	0.001	25	109.3054	0.590	2346	109.2978	0.604	2553	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:1:	4:	N-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(NCCH)(H)3	N(CC[5a]HH)2(CH3)(H)	H(CHHN)	C(NCCH)(H)3	N(CC[5a]HH)2(CH3)(H)	H(CHHN)	109.4758	0.051	4	109.4758	0.003	4	109.3054	0.590	2346	109.2978	0.604	2553	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:1:	4:	N-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(NCCH)(H)3	N(CC[6]HH)(CCHH)(CH3)(H)	H(CHHN)	C(NCCH)(H)3	N(CC[6]HH)(CCHH)(CH3)(H)	H(CHHN)	109.3011	0.700	15	109.3011	0.490	15	109.3054	0.590	2346	109.2978	0.604	2553	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:1:	4:	N-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(NCCH)(H)3	N(CC[6]HH)(CH3)2(H)	H(CHHN)	C(NCCH)(H)3	N(CC[6]HH)(CH3)2(H)	H(CHHN)	109.0225	1.142	49	109.0225	1.305	49	109.3054	0.590	2346	109.2978	0.604	2553	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:1:	4:	N-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(NCCH)(H)3	N(CC[6]HH)2(CH3)(H)	H(CHHN)	C(NCCH)(H)3	N(CC[6]HH)2(CH3)(H)	H(CHHN)	109.5177	0.025	3	109.5177	0.001	3	109.3054	0.590	2346	109.2978	0.604	2553	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:1:	4:	N-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(NCCH)(H)3	N(CC[6a]2H)(CH3)2(H)	H(CHHN)	C(NCCH)(H)3	N(CC[6a]2H)(CH3)2(H)	H(CHHN)	109.4595	0.035	4	109.4595	0.001	4	109.3054	0.590	2346	109.2978	0.604	2553	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:1:	4:	N-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(NCCH)(H)3	N(CC[6a]HH)(CCHH)(CH3)(H)	H(CHHN)	C(NCCH)(H)3	N(CC[6a]HH)(CCHH)(CH3)(H)	H(CHHN)	107.9763	3.200	11	107.9763	10.242	11	109.3054	0.590	2346	109.2978	0.604	2553	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:1:	4:	N-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(NCCH)(H)3	N(CC[6a]HH)(CH3)2(H)	H(CHHN)	C(NCCH)(H)3	N(CC[6a]HH)(CH3)2(H)	H(CHHN)	109.4957	0.253	166	109.4957	0.064	166	109.3054	0.590	2346	109.2978	0.604	2553	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:1:	4:	N-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(NCCH)(H)3	N(CC[6a]HH)2(CH3)(H)	H(CHHN)	C(NCCH)(H)3	N(CC[6a]HH)2(CH3)(H)	H(CHHN)	109.4900	0.041	3	109.4900	0.002	3	109.3054	0.590	2346	109.2978	0.604	2553	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:1:	4:	N-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(NCCH)(H)3	N(CH3)3(H)	H(CHHN)	C(NCCH)(H)3	N(CH3)3(H)	H(CHHN)	109.3025	0.804	362	109.3025	0.646	362	109.3054	0.590	2346	109.2978	0.604	2553	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:1:	4:	N-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(NCCH)(H)3	N(CHHN)(CH3)2(H)	H(CHHN)	C(NCCH)(H)3	N(CHHN)(CH3)2(H)	H(CHHN)	109.4588	0.034	5	109.4588	0.001	5	109.3054	0.590	2346	109.2978	0.604	2553	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:1:	4:	N-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(NCCH)(H)3	N(CHHP)(CH3)2(H)	H(CHHN)	C(NCCH)(H)3	N(CHHP)(CH3)2(H)	H(CHHN)	109.4640	0.017	4	109.4640	0.000	4	109.3054	0.590	2346	109.2978	0.604	2553	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:1:	4:	N-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(NCCH)(H)3	N(CHHP)2(CH3)(H)	H(CHHN)	C(NCCH)(H)3	N(CHHP)2(CH3)(H)	H(CHHN)	108.5211	2.705	7	108.5211	7.315	7	109.3054	0.590	2346	109.2978	0.604	2553	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:1:	4:	N-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(NCCH)(H)3	N(CSi[5]HH)(CH3)2(H)	H(CHHN)	C(NCCH)(H)3	N(CSi[5]HH)(CH3)2(H)	H(CHHN)	107.9863	0.987	12	107.9863	0.974	12	109.3054	0.590	2346	109.2978	0.604	2553	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:1:	4:	N-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-1:	C-4:	C(NCCO)(H)3	N(CCHH)(CH3)2(O)	H(CHHN)	C(NCCO)(H)3	N(CCHH)(CH3)2(O)	H(CHHN)	109.4693	0.023	4	109.4693	0.001	4	109.4693	0.001	4	109.2978	0.604	2553	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:1:	4:	N-4:H-1:H-1:H-1:	C[4x6]-4:C-4:C-4:H-1:	C-4:	C(NC[4x6]CH)(H)3	N(C[4x6]C[4x6]2C[6,6])(CH3)2(H)	H(CHHN)	C(NC[4x6]CH)(H)3	N(C[4x6]C[4x6]2C[6,6])(CH3)2(H)	H(CHHN)	109.4827	0.078	9	109.4827	0.006	9	109.4827	0.006	9	109.2978	0.604	2553	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:1:	4:	N-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(NC[5]CH)(H)3	N(C[5]C[5]2H)(CC[6a]HH)(CH3)(H)	H(CHHN)	C(NC[5]CH)(H)3	N(C[5]C[5]2H)(CC[6a]HH)(CH3)(H)	H(CHHN)	109.4996	0.017	5	109.4996	0.000	5	109.4834	0.001	9	109.2978	0.604	2553	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:1:	4:	N-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(NC[5]CH)(H)3	N(C[5]C[5]2H)(CH3)2(H)	H(CHHN)	C(NC[5]CH)(H)3	N(C[5]C[5]2H)(CH3)2(H)	H(CHHN)	109.4633	0.016	4	109.4633	0.000	4	109.4834	0.001	9	109.2978	0.604	2553	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:1:	4:	N-4:H-1:H-1:H-1:	C[6,6]-4:C-4:C-4:H-1:	C-4:	C(NC[6,6]CH)(H)3	N(C[6,6]C[3x6]2H)(CH3)2(H)	H(CHHN)	C(NC[6,6]CH)(H)3	N(C[6,6]C[3x6]2H)(CH3)2(H)	H(CHHN)	109.4630	0.024	4	109.4630	0.001	4	109.4630	0.001	4	109.2978	0.604	2553	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:1:	4:	N-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(NC[6]CH)(H)3	N(C[6]C[5a,6]C[6,6]H)(CH3)2(H)	H(CHHN)	C(NC[6]CH)(H)3	N(C[6]C[5a,6]C[6,6]H)(CH3)2(H)	H(CHHN)	109.4680	0.031	3	109.4680	0.001	3	108.8306	1.719	69	109.2978	0.604	2553	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:1:	4:	N-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(NC[6]CH)(H)3	N(C[6]C[6,6]C[6]H)(CH3)2(H)	H(CHHN)	C(NC[6]CH)(H)3	N(C[6]C[6,6]C[6]H)(CH3)2(H)	H(CHHN)	108.2604	1.772	27	108.2604	3.141	27	108.8306	1.719	69	109.2978	0.604	2553	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:1:	4:	N-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(NC[6]CH)(H)3	N(C[6]C[6]2H)(CC[6a]HH)(CH3)(H)	H(CHHN)	C(NC[6]CH)(H)3	N(C[6]C[6]2H)(CC[6a]HH)(CH3)(H)	H(CHHN)	109.1193	0.592	6	109.1193	0.351	6	108.8306	1.719	69	109.2978	0.604	2553	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:1:	4:	N-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(NC[6]CH)(H)3	N(C[6]C[6]2H)(CH3)2(H)	H(CHHN)	C(NC[6]CH)(H)3	N(C[6]C[6]2H)(CH3)2(H)	H(CHHN)	109.1866	0.766	33	109.1866	0.587	33	108.8306	1.719	69	109.2978	0.604	2553	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:1:	4:	N-4:H-1:H-1:H-1:	Ga-4:C-4:C-4:H-1:	C-4:	C(NGaCH)(H)3	N(GaH3)(CH3)2(H)	H(CHHN)	C(NGaCH)(H)3	N(GaH3)(CH3)2(H)	H(CHHN)	109.4722	0.047	10	109.4722	0.002	10	109.4722	0.002	10	109.2978	0.604	2553	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:1:	4:	N-4:H-1:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:	C(NCHN)(H)3	N(NCCH)(CH3)2(H)	H(CHHN)	C(NCHN)(H)3	N(NCCH)(CH3)2(H)	H(CHHN)	109.4777	0.026	7	109.4777	0.001	7	109.4777	0.001	7	109.2978	0.604	2553	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:1:	4:	N-4:H-1:H-1:H-1:	Si-4:C-4:C-4:H-1:	C-4:	C(NSiCH)(H)3	N(SiC[5]NN)(CH3)2(H)	H(CHHN)	C(NSiCH)(H)3	N(SiC[5]NN)(CH3)2(H)	H(CHHN)	109.4900	0.018	4	109.4900	0.000	4	109.4900	0.000	4	109.2978	0.604	2553	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:2:	4:	N-4:H-1:H-1:H-1:	B-4:C-4:C-4:O-2:	C-4:	C(NBCO)(H)3	N(BH3)(CH3)2(OSi)	H(CHHN)	C(NBCO)(H)3	N(BH3)(CH3)2(OSi)	H(CHHN)	107.9073	2.361	12	107.9073	5.574	12	107.9073	5.574	12	109.2323	0.989	117	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:2:	4:	N-4:H-1:H-1:H-1:	C-4:C-4:C-4:N-2:	C-4:	C(NCCN)(H)3	N(CCHH)(CH3)2(NH)	H(CHHN)	C(NCCN)(H)3	N(CCHH)(CH3)2(NH)	H(CHHN)	109.4793	0.035	4	109.4793	0.001	4	109.4715	0.184	55	109.2323	0.989	117	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:2:	4:	N-4:H-1:H-1:H-1:	C-4:C-4:C-4:N-2:	C-4:	C(NCCN)(H)3	N(CCHH)(CH3)2(NS)	H(CHHN)	C(NCCN)(H)3	N(CCHH)(CH3)2(NS)	H(CHHN)	109.4688	0.026	4	109.4688	0.001	4	109.4715	0.184	55	109.2323	0.989	117	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:2:	4:	N-4:H-1:H-1:H-1:	C-4:C-4:C-4:N-2:	C-4:	C(NCCN)(H)3	N(CCHH)(CH3)2(NTi)	H(CHHN)	C(NCCN)(H)3	N(CCHH)(CH3)2(NTi)	H(CHHN)	109.4923	0.784	11	109.4923	0.614	11	109.4715	0.184	55	109.2323	0.989	117	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:2:	4:	N-4:H-1:H-1:H-1:	C-4:C-4:C-4:N-2:	C-4:	C(NCCN)(H)3	N(CCHH)2(CH3)(NS)	H(CHHN)	C(NCCN)(H)3	N(CCHH)2(CH3)(NS)	H(CHHN)	109.4663	0.025	3	109.4663	0.001	3	109.4715	0.184	55	109.2323	0.989	117	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:2:	4:	N-4:H-1:H-1:H-1:	C-4:C-4:C-4:N-2:	C-4:	C(NCCN)(H)3	N(CH3)3(NTa)	H(CHHN)	C(NCCN)(H)3	N(CH3)3(NTa)	H(CHHN)	109.4681	0.033	15	109.4681	0.001	15	109.4715	0.184	55	109.2323	0.989	117	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:2:	4:	N-4:H-1:H-1:H-1:	C-4:C-4:C-4:N-2:	C-4:	C(NCCN)(H)3	N(CH3)3(NTi)	H(CHHN)	C(NCCN)(H)3	N(CH3)3(NTi)	H(CHHN)	109.4614	0.470	18	109.4614	0.221	18	109.4715	0.184	55	109.2323	0.989	117	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:2:	4:	N-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(NCCO)(H)3	N(CCHH)(CH3)2(OH)	H(CHHN)	C(NCCO)(H)3	N(CCHH)(CH3)2(OH)	H(CHHN)	109.4808	0.018	8	109.4808	0.000	8	109.2871	0.391	50	109.2323	0.989	117	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:2:	4:	N-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(NCCO)(H)3	N(CC[6a]HH)(CH3)2(OSn)	H(CHHN)	C(NCCO)(H)3	N(CC[6a]HH)(CH3)2(OSn)	H(CHHN)	109.4717	0.203	6	109.4717	0.041	6	109.2871	0.391	50	109.2323	0.989	117	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:2:	4:	N-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(NCCO)(H)3	N(CH3)3(OCu)	H(CHHN)	C(NCCO)(H)3	N(CH3)3(OCu)	H(CHHN)	109.4852	0.047	8	109.4852	0.002	8	109.2871	0.391	50	109.2323	0.989	117	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:2:	4:	N-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(NCCO)(H)3	N(CH3)3(OFe)	H(CHHN)	C(NCCO)(H)3	N(CH3)3(OFe)	H(CHHN)	109.4870	0.030	7	109.4870	0.001	7	109.2871	0.391	50	109.2323	0.989	117	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:2:	4:	N-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(NCCO)(H)3	N(CH3)3(OH)	H(CHHN)	C(NCCO)(H)3	N(CH3)3(OH)	H(CHHN)	109.4879	0.038	9	109.4879	0.001	9	109.2871	0.391	50	109.2323	0.989	117	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:2:	4:	N-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(NCCO)(H)3	N(CH3)3(OI)	H(CHHN)	C(NCCO)(H)3	N(CH3)3(OI)	H(CHHN)	107.5496	0.734	5	107.5496	0.539	5	109.2871	0.391	50	109.2323	0.989	117	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:2:	4:	N-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(NCCO)(H)3	N(CH3)3(OP)	H(CHHN)	C(NCCO)(H)3	N(CH3)3(OP)	H(CHHN)	109.4643	0.031	7	109.4643	0.001	7	109.2871	0.391	50	109.2323	0.989	117	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:3:	4:	N-4:Cl-1:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(NC3)(Cl)(H)2	N(CClHH)(CCHH)(CH3)(CHH)	H(CClHN)	C(NC3)(Cl)(H)2	N(CClHH)(CCHH)(CH3)(CHH)	H(CClHN)	108.1390	8.047	2	108.1390	64.752	2	108.1390	64.752	2	109.1282	2.279	100	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:3:	4:	N-4:Cl-1:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(NCCN)(Cl)(H)2	N(CClHH)(CH3)2(NHH)	H(CClHN)	C(NCCN)(Cl)(H)2	N(CClHH)(CH3)2(NHH)	H(CClHN)	108.3360	0.809	12	108.3360	0.654	12	108.3360	0.654	12	109.1282	2.279	100	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:3:	4:	N-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(NC3)(H)3	N(CCHH)2(CH3)(CCH)	H(CHHN)	C(NC3)(H)3	N(CCHH)2(CH3)(CCH)	H(CHHN)	108.9803	0.965	3	108.9803	0.932	3	109.9515	3.140	25	109.1282	2.279	100	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:3:	4:	N-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(NC3)(H)3	N(CC[6a]HH)(CH3)2(COO)	H(CHHN)	C(NC3)(H)3	N(CC[6a]HH)(CH3)2(COO)	H(CHHN)	109.4873	0.031	4	109.4873	0.001	4	109.9515	3.140	25	109.1282	2.279	100	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:3:	4:	N-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(NC3)(H)3	N(CClHH)(CCHH)(CH3)(CHH)	H(CHHN)	C(NC3)(H)3	N(CClHH)(CCHH)(CH3)(CHH)	H(CHHN)	113.9980	2.917	3	113.9980	8.508	3	109.9515	3.140	25	109.1282	2.279	100	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:3:	4:	N-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(NC3)(H)3	N(CH3)3(CCH)	H(CHHN)	C(NC3)(H)3	N(CH3)3(CCH)	H(CHHN)	109.4602	0.054	15	109.4602	0.003	15	109.9515	3.140	25	109.1282	2.279	100	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:3:	4:	N-4:H-1:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(NCCN)(H)3	N(CClHH)(CH3)2(NHH)	H(CHHN)	C(NCCN)(H)3	N(CClHH)(CH3)2(NHH)	H(CHHN)	108.5485	1.075	33	108.5485	1.155	33	108.9791	0.842	61	109.1282	2.279	100	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:3:	4:	N-4:H-1:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(NCCN)(H)3	N(CH3)3(NCH)	H(CHHN)	C(NCCN)(H)3	N(CH3)3(NCH)	H(CHHN)	109.4865	0.086	28	109.4865	0.007	28	108.9791	0.842	61	109.1282	2.279	100	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:4:	4:	N-4:Br-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NC3)(Br)(H)2	N(CBrHH)(CCHH)3	H(CBrHN)	C(NC3)(Br)(H)2	N(CBrHH)(CCHH)3	H(CBrHN)	108.8030	0.043	4	108.8030	0.002	4	108.6256	0.571	10	109.2766	1.188	5838	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:4:	4:	N-4:Br-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NC3)(Br)(H)2	N(CBrHH)(CH3)3	H(CBrHN)	C(NC3)(Br)(H)2	N(CBrHH)(CH3)3	H(CBrHN)	108.5073	0.993	6	108.5073	0.985	6	108.6256	0.571	10	109.2766	1.188	5838	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:4:	4:	N-4:Cl-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NC3)(Cl)(H)2	N(CClHH)(CCHH)(CH3)2	H(CClHN)	C(NC3)(Cl)(H)2	N(CClHH)(CCHH)(CH3)2	H(CClHN)	109.0235	0.036	2	109.0235	0.001	2	108.9809	0.168	31	109.2766	1.188	5838	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:4:	4:	N-4:Cl-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NC3)(Cl)(H)2	N(CClHH)(CCHH)3	H(CClHN)	C(NC3)(Cl)(H)2	N(CClHH)(CCHH)3	H(CClHN)	108.8311	0.445	14	108.8311	0.198	14	108.9809	0.168	31	109.2766	1.188	5838	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:4:	4:	N-4:Cl-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NC3)(Cl)(H)2	N(CClHH)(CH3)3	H(CClHN)	C(NC3)(Cl)(H)2	N(CClHH)(CH3)3	H(CClHN)	109.1151	0.368	15	109.1151	0.135	15	108.9809	0.168	31	109.2766	1.188	5838	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:4:	4:	N-4:H-1:H-1:H-1:	B-4:B-4:C-4:C-4:	C-4:	C(NBBC)(H)3	N(BHHN)(BH3)(CH3)2	H(CHHN)	C(NBBC)(H)3	N(BHHN)(BH3)(CH3)2	H(CHHN)	109.4677	0.023	6	109.4677	0.001	6	109.4708	0.000	14	109.2766	1.188	5838	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:4:	4:	N-4:H-1:H-1:H-1:	B-4:B-4:C-4:C-4:	C-4:	C(NBBC)(H)3	N(BHHP)(BH3)(CH3)2	H(CHHN)	C(NBBC)(H)3	N(BHHP)(BH3)(CH3)2	H(CHHN)	109.4744	0.030	5	109.4744	0.001	5	109.4708	0.000	14	109.2766	1.188	5838	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:4:	4:	N-4:H-1:H-1:H-1:	B-4:B-4:C-4:C-4:	C-4:	C(NBBC)(H)3	N(BN[6]HH)(BH3)(CH3)2	H(CHHN)	C(NBBC)(H)3	N(BN[6]HH)(BH3)(CH3)2	H(CHHN)	109.4710	0.008	3	109.4710	0.000	3	109.4708	0.000	14	109.2766	1.188	5838	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:4:	4:	N-4:H-1:H-1:H-1:	B-4:C-4:C-4:C-4:	C-4:	C(NBCC)(H)3	N(BAsHH)(CH3)3	H(CHHN)	C(NBCC)(H)3	N(BAsHH)(CH3)3	H(CHHN)	109.4534	0.046	11	109.4534	0.002	11	109.3882	0.371	160	109.2766	1.188	5838	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:4:	4:	N-4:H-1:H-1:H-1:	B-4:C-4:C-4:C-4:	C-4:	C(NBCC)(H)3	N(BBr2H)(CH3)3	H(CHHN)	C(NBCC)(H)3	N(BBr2H)(CH3)3	H(CHHN)	109.4944	0.130	5	109.4944	0.017	5	109.3882	0.371	160	109.2766	1.188	5838	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:4:	4:	N-4:H-1:H-1:H-1:	B-4:C-4:C-4:C-4:	C-4:	C(NBCC)(H)3	N(BCCH)(CH3)3	H(CHHN)	C(NBCC)(H)3	N(BCCH)(CH3)3	H(CHHN)	109.4910	0.038	7	109.4910	0.001	7	109.3882	0.371	160	109.2766	1.188	5838	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:4:	4:	N-4:H-1:H-1:H-1:	B-4:C-4:C-4:C-4:	C-4:	C(NBCC)(H)3	N(BCHH)(CCHH)(CH3)2	H(CHHN)	C(NBCC)(H)3	N(BCHH)(CCHH)(CH3)2	H(CHHN)	109.4867	0.034	7	109.4867	0.001	7	109.3882	0.371	160	109.2766	1.188	5838	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:4:	4:	N-4:H-1:H-1:H-1:	B-4:C-4:C-4:C-4:	C-4:	C(NBCC)(H)3	N(BCHH)(CH3)3	H(CHHN)	C(NBCC)(H)3	N(BCHH)(CH3)3	H(CHHN)	109.4696	0.038	11	109.4696	0.001	11	109.3882	0.371	160	109.2766	1.188	5838	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:4:	4:	N-4:H-1:H-1:H-1:	B-4:C-4:C-4:C-4:	C-4:	C(NBCC)(H)3	N(BC[5]HH)(CCHH)(CH3)2	H(CHHN)	C(NBCC)(H)3	N(BC[5]HH)(CCHH)(CH3)2	H(CHHN)	109.4688	0.028	4	109.4688	0.001	4	109.3882	0.371	160	109.2766	1.188	5838	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:4:	4:	N-4:H-1:H-1:H-1:	B-4:C-4:C-4:C-4:	C-4:	C(NBCC)(H)3	N(BC[6]HH)(CH3)3	H(CHHN)	C(NBCC)(H)3	N(BC[6]HH)(CH3)3	H(CHHN)	109.4768	0.034	6	109.4768	0.001	6	109.3882	0.371	160	109.2766	1.188	5838	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:4:	4:	N-4:H-1:H-1:H-1:	B-4:C-4:C-4:C-4:	C-4:	C(NBCC)(H)3	N(BC[6a]HH)(CH3)3	H(CHHN)	C(NBCC)(H)3	N(BC[6a]HH)(CH3)3	H(CHHN)	109.4752	0.023	5	109.4752	0.001	5	109.3882	0.371	160	109.2766	1.188	5838	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:4:	4:	N-4:H-1:H-1:H-1:	B-4:C-4:C-4:C-4:	C-4:	C(NBCC)(H)3	N(BH3)(CH3)3	H(CHHN)	C(NBCC)(H)3	N(BH3)(CH3)3	H(CHHN)	109.3454	0.041	5	109.3454	0.002	5	109.3882	0.371	160	109.2766	1.188	5838	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:4:	4:	N-4:H-1:H-1:H-1:	B-4:C-4:C-4:C-4:	C-4:	C(NBCC)(H)3	N(BHHN)(CH3)3	H(CHHN)	C(NBCC)(H)3	N(BHHN)(CH3)3	H(CHHN)	108.4594	0.819	9	108.4594	0.671	9	109.3882	0.371	160	109.2766	1.188	5838	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:4:	4:	N-4:H-1:H-1:H-1:	B-4:C-4:C-4:C-4:	C-4:	C(NBCC)(H)3	N(BHHO)(CH3)3	H(CHHN)	C(NBCC)(H)3	N(BHHO)(CH3)3	H(CHHN)	109.4657	0.029	13	109.4657	0.001	13	109.3882	0.371	160	109.2766	1.188	5838	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:4:	4:	N-4:H-1:H-1:H-1:	B-4:C-4:C-4:C-4:	C-4:	C(NBCC)(H)3	N(BHHP)(CH3)3	H(CHHN)	C(NBCC)(H)3	N(BHHP)(CH3)3	H(CHHN)	109.4505	0.257	43	109.4505	0.066	43	109.3882	0.371	160	109.2766	1.188	5838	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:4:	4:	N-4:H-1:H-1:H-1:	B-4:C-4:C-4:C-4:	C-4:	C(NBCC)(H)3	N(BHHS)(CH3)3	H(CHHN)	C(NBCC)(H)3	N(BHHS)(CH3)3	H(CHHN)	109.4780	0.031	19	109.4780	0.001	19	109.3882	0.371	160	109.2766	1.188	5838	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:4:	4:	N-4:H-1:H-1:H-1:	B-4:C-4:C-4:C-4:	C-4:	C(NBCC)(H)3	N(BN[6]HH)(CH3)3	H(CHHN)	C(NBCC)(H)3	N(BN[6]HH)(CH3)3	H(CHHN)	109.4561	0.052	7	109.4561	0.003	7	109.3882	0.371	160	109.2766	1.188	5838	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:4:	4:	N-4:H-1:H-1:H-1:	B-4:C-4:C-4:C-4:	C-4:	C(NBCC)(H)3	N(BSnHH)(CH3)3	H(CHHN)	C(NBCC)(H)3	N(BSnHH)(CH3)3	H(CHHN)	109.1209	2.435	8	109.1209	5.927	8	109.3882	0.371	160	109.2766	1.188	5838	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:4:	4:	N-4:H-1:H-1:H-1:	C-4:B-4:C-4:C-4:	C-4:	C(NBCC)(H)3	N(CC[5]CH)(BH3)(CH3)2	H(CHHN)	C(NBCC)(H)3	N(CC[5]CH)(BH3)(CH3)2	H(CHHN)	109.4658	0.026	5	109.4658	0.001	5	108.6300	2.818	20	109.2766	1.188	5838	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:4:	4:	N-4:H-1:H-1:H-1:	C-4:B-4:C-4:C-4:	C-4:	C(NBCC)(H)3	N(CC[6]HH)(BH3)(CH3)2	H(CHHN)	C(NBCC)(H)3	N(CC[6]HH)(BH3)(CH3)2	H(CHHN)	106.6645	2.021	6	106.6645	4.083	6	108.6300	2.818	20	109.2766	1.188	5838	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:4:	4:	N-4:H-1:H-1:H-1:	C-4:B-4:C-4:C-4:	C-4:	C(NBCC)(H)3	N(CC[6a]HH)(BC[6a]3)(CH3)2	H(CHHN)	C(NBCC)(H)3	N(CC[6a]HH)(BC[6a]3)(CH3)2	H(CHHN)	109.4877	0.036	6	109.4877	0.001	6	108.6300	2.818	20	109.2766	1.188	5838	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:4:	4:	N-4:H-1:H-1:H-1:	C-4:B-4:C-4:C-4:	C-4:	C(NBCC)(H)3	N(CHHN)(BH3)(CH3)2	H(CHHN)	C(NBCC)(H)3	N(CHHN)(BH3)(CH3)2	H(CHHN)	109.4527	0.036	3	109.4527	0.001	3	108.6300	2.818	20	109.2766	1.188	5838	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:4:	4:	N-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NC3)(H)3	N(CB[5]HH)(CCHH)(CH3)2	H(CHHN)	C(NC3)(H)3	N(CB[5]HH)(CCHH)(CH3)2	H(CHHN)	109.4653	0.013	3	109.4653	0.000	3	109.2819	1.219	5464	109.2766	1.188	5838	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:4:	4:	N-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NC3)(H)3	N(CBrHH)(CH3)3	H(CHHN)	C(NC3)(H)3	N(CBrHH)(CH3)3	H(CHHN)	108.5572	1.653	23	108.5572	2.733	23	109.2819	1.219	5464	109.2766	1.188	5838	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:4:	4:	N-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NC3)(H)3	N(CCCH)(CCHH)(CH3)2	H(CHHN)	C(NC3)(H)3	N(CCCH)(CCHH)(CH3)2	H(CHHN)	109.4582	0.044	16	109.4582	0.002	16	109.2819	1.219	5464	109.2766	1.188	5838	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:4:	4:	N-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NC3)(H)3	N(CCCH)(CH3)3	H(CHHN)	C(NC3)(H)3	N(CCCH)(CH3)3	H(CHHN)	109.4486	0.102	34	109.4486	0.010	34	109.2819	1.219	5464	109.2766	1.188	5838	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:4:	4:	N-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NC3)(H)3	N(CCHH)(CH3)3	H(CHHN)	C(NC3)(H)3	N(CCHH)(CH3)3	H(CHHN)	109.0404	1.224	1237	109.0404	1.499	1237	109.2819	1.219	5464	109.2766	1.188	5838	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:4:	4:	N-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NC3)(H)3	N(CCHH)(CHHI)(CH3)2	H(CHHN)	C(NC3)(H)3	N(CCHH)(CHHI)(CH3)2	H(CHHN)	109.4812	0.034	13	109.4812	0.001	13	109.2819	1.219	5464	109.2766	1.188	5838	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:4:	4:	N-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NC3)(H)3	N(CCHH)2(CH3)2	H(CHHN)	C(NC3)(H)3	N(CCHH)2(CH3)2	H(CHHN)	109.3312	1.340	113	109.3312	1.795	113	109.2819	1.219	5464	109.2766	1.188	5838	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:4:	4:	N-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NC3)(H)3	N(CCHH)3(CH3)	H(CHHN)	C(NC3)(H)3	N(CCHH)3(CH3)	H(CHHN)	109.4871	0.064	75	109.4871	0.004	75	109.2819	1.219	5464	109.2766	1.188	5838	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:4:	4:	N-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NC3)(H)3	N(CCHS)(CH3)3	H(CHHN)	C(NC3)(H)3	N(CCHS)(CH3)3	H(CHHN)	109.9234	0.757	8	109.9234	0.572	8	109.2819	1.219	5464	109.2766	1.188	5838	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:4:	4:	N-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NC3)(H)3	N(CC[5,6]HH)(CH3)3	H(CHHN)	C(NC3)(H)3	N(CC[5,6]HH)(CH3)3	H(CHHN)	109.4630	0.035	5	109.4630	0.001	5	109.2819	1.219	5464	109.2766	1.188	5838	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:4:	4:	N-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NC3)(H)3	N(CC[5]HH)(CCHH)(CH3)2	H(CHHN)	C(NC3)(H)3	N(CC[5]HH)(CCHH)(CH3)2	H(CHHN)	109.4701	0.034	18	109.4701	0.001	18	109.2819	1.219	5464	109.2766	1.188	5838	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:4:	4:	N-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NC3)(H)3	N(CC[5]HH)(CH3)3	H(CHHN)	C(NC3)(H)3	N(CC[5]HH)(CH3)3	H(CHHN)	109.2673	1.224	140	109.2673	1.497	140	109.2819	1.219	5464	109.2766	1.188	5838	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:4:	4:	N-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NC3)(H)3	N(CC[5a]HH)(CCHH)2(CH3)	H(CHHN)	C(NC3)(H)3	N(CC[5a]HH)(CCHH)2(CH3)	H(CHHN)	109.4713	0.023	3	109.4713	0.001	3	109.2819	1.219	5464	109.2766	1.188	5838	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:4:	4:	N-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NC3)(H)3	N(CC[5a]HH)(CH3)3	H(CHHN)	C(NC3)(H)3	N(CC[5a]HH)(CH3)3	H(CHHN)	109.4775	0.058	8	109.4775	0.003	8	109.2819	1.219	5464	109.2766	1.188	5838	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:4:	4:	N-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NC3)(H)3	N(CC[5x3,5x5,20x6]HH)(CH3)3	H(CHHN)	C(NC3)(H)3	N(CC[5x3,5x5,20x6]HH)(CH3)3	H(CHHN)	109.4694	0.035	9	109.4694	0.001	9	109.2819	1.219	5464	109.2766	1.188	5838	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:4:	4:	N-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NC3)(H)3	N(CC[6]HH)(CCCH)(CH3)2	H(CHHN)	C(NC3)(H)3	N(CC[6]HH)(CCCH)(CH3)2	H(CHHN)	109.4555	0.018	4	109.4555	0.000	4	109.2819	1.219	5464	109.2766	1.188	5838	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:4:	4:	N-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NC3)(H)3	N(CC[6]HH)(CCHH)(CH3)2	H(CHHN)	C(NC3)(H)3	N(CC[6]HH)(CCHH)(CH3)2	H(CHHN)	109.4791	0.050	32	109.4791	0.003	32	109.2819	1.219	5464	109.2766	1.188	5838	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:4:	4:	N-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NC3)(H)3	N(CC[6a]CH)(CH3)3	H(CHHN)	C(NC3)(H)3	N(CC[6a]CH)(CH3)3	H(CHHN)	109.4525	0.120	33	109.4525	0.014	33	109.2819	1.219	5464	109.2766	1.188	5838	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:4:	4:	N-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NC3)(H)3	N(CC[6a]CH)2(CC[6a]HH)(CH3)	H(CHHN)	C(NC3)(H)3	N(CC[6a]CH)2(CC[6a]HH)(CH3)	H(CHHN)	109.4370	0.225	3	109.4370	0.051	3	109.2819	1.219	5464	109.2766	1.188	5838	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:4:	4:	N-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NC3)(H)3	N(CC[6a]HH)(CCHH)(CH3)2	H(CHHN)	C(NC3)(H)3	N(CC[6a]HH)(CCHH)(CH3)2	H(CHHN)	109.3820	0.438	106	109.3820	0.191	106	109.2819	1.219	5464	109.2766	1.188	5838	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:4:	4:	N-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NC3)(H)3	N(CC[6a]HH)(CCHH)2(CH3)	H(CHHN)	C(NC3)(H)3	N(CC[6a]HH)(CCHH)2(CH3)	H(CHHN)	109.5074	0.037	5	109.5074	0.001	5	109.2819	1.219	5464	109.2766	1.188	5838	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:4:	4:	N-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NC3)(H)3	N(CC[6a]HH)(CC[6]HH)(CCHH)(CH3)	H(CHHN)	C(NC3)(H)3	N(CC[6a]HH)(CC[6]HH)(CCHH)(CH3)	H(CHHN)	109.4363	0.019	3	109.4363	0.000	3	109.2819	1.219	5464	109.2766	1.188	5838	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:4:	4:	N-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NC3)(H)3	N(CC[6a]HH)(CH3)3	H(CHHN)	C(NC3)(H)3	N(CC[6a]HH)(CH3)3	H(CHHN)	109.2623	1.215	382	109.2623	1.477	382	109.2819	1.219	5464	109.2766	1.188	5838	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:4:	4:	N-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NC3)(H)3	N(CC[6a]HH)2(CCCH)(CH3)	H(CHHN)	C(NC3)(H)3	N(CC[6a]HH)2(CCCH)(CH3)	H(CHHN)	109.5393	0.023	3	109.5393	0.001	3	109.2819	1.219	5464	109.2766	1.188	5838	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:4:	4:	N-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NC3)(H)3	N(CC[6a]HH)2(CH3)2	H(CHHN)	C(NC3)(H)3	N(CC[6a]HH)2(CH3)2	H(CHHN)	109.4704	0.036	58	109.4704	0.001	58	109.2819	1.219	5464	109.2766	1.188	5838	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:4:	4:	N-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NC3)(H)3	N(CC[6a]HH)3(CH3)	H(CHHN)	C(NC3)(H)3	N(CC[6a]HH)3(CH3)	H(CHHN)	104.3327	0.014	3	104.3327	0.000	3	109.2819	1.219	5464	109.2766	1.188	5838	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:4:	4:	N-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NC3)(H)3	N(CClHH)(CCHH)(CH3)2	H(CHHN)	C(NC3)(H)3	N(CClHH)(CCHH)(CH3)2	H(CHHN)	109.4950	0.025	3	109.4950	0.001	3	109.2819	1.219	5464	109.2766	1.188	5838	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:4:	4:	N-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NC3)(H)3	N(CClHH)(CH3)3	H(CHHN)	C(NC3)(H)3	N(CClHH)(CH3)3	H(CHHN)	109.4750	0.424	50	109.4750	0.180	50	109.2819	1.219	5464	109.2766	1.188	5838	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:4:	4:	N-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NC3)(H)3	N(CH3)4	H(CHHN)	C(NC3)(H)3	N(CH3)4	H(CHHN)	109.3609	1.064	3042	109.3609	1.132	3042	109.2819	1.219	5464	109.2766	1.188	5838	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:4:	4:	N-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NC3)(H)3	N(CHHI)(CH3)3	H(CHHN)	C(NC3)(H)3	N(CHHI)(CH3)3	H(CHHN)	109.4794	2.002	27	109.4794	4.009	27	109.2819	1.219	5464	109.2766	1.188	5838	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:4:	4:	N-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NC3)(H)3	N(CSnHH)(CH3)3	H(CHHN)	C(NC3)(H)3	N(CSnHH)(CH3)3	H(CHHN)	109.4510	0.026	5	109.4510	0.001	5	109.2819	1.219	5464	109.2766	1.188	5838	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:4:	4:	N-4:H-1:H-1:H-1:	C-4:In-4:C-4:C-4:	C-4:	C(NInCC)(H)3	N(CN[5a]HH)(InC3)(CH3)2	H(CHHN)	C(NInCC)(H)3	N(CN[5a]HH)(InC3)(CH3)2	H(CHHN)	108.1942	1.775	6	108.1942	3.151	6	108.1942	3.151	6	109.2766	1.188	5838	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:4:	4:	N-4:H-1:H-1:H-1:	C[3x6]-4:C-4:C-4:C-4:	C-4:	C(NC[3x6]CC)(H)3	N(C[3x6]C[6,6]3)(CH3)3	H(CHHN)	C(NC[3x6]CC)(H)3	N(C[3x6]C[6,6]3)(CH3)3	H(CHHN)	109.4673	0.055	29	109.4673	0.003	29	109.4673	0.003	29	109.2766	1.188	5838	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:4:	4:	N-4:H-1:H-1:H-1:	C[4]-4:C-4:C-4:C-4:	C-4:	C(NC[4]CC)(H)3	N(C[4]C[4]2H)(CCHH)2(CH3)	H(CHHN)	C(NC[4]CC)(H)3	N(C[4]C[4]2H)(CCHH)2(CH3)	H(CHHN)	109.4593	0.047	6	109.4593	0.002	6	109.4593	0.002	6	109.2766	1.188	5838	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:4:	4:	N-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C-4:	C(NC[6]CC)(H)3	N(C[6]C[6]2H)(CCHH)(CH3)2	H(CHHN)	C(NC[6]CC)(H)3	N(C[6]C[6]2H)(CCHH)(CH3)2	H(CHHN)	109.4615	0.048	15	109.4615	0.002	15	109.1114	1.489	42	109.2766	1.188	5838	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:4:	4:	N-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C-4:	C(NC[6]CC)(H)3	N(C[6]C[6]2H)(CH3)3	H(CHHN)	C(NC[6]CC)(H)3	N(C[6]C[6]2H)(CH3)3	H(CHHN)	108.9169	1.495	27	108.9169	2.236	27	109.1114	1.489	42	109.2766	1.188	5838	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:4:	4:	N-4:H-1:H-1:H-1:	Ga-4:C-4:C-4:C-4:	C-4:	C(NGaCC)(H)3	N(GaCl2O)(CCHH)(CH3)2	H(CHHN)	C(NGaCC)(H)3	N(GaCl2O)(CCHH)(CH3)2	H(CHHN)	109.4732	0.061	6	109.4732	0.004	6	108.8437	1.510	17	109.2766	1.188	5838	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:4:	4:	N-4:H-1:H-1:H-1:	Ga-4:C-4:C-4:C-4:	C-4:	C(NGaCC)(H)3	N(GaClOO)(CCHH)(CH3)2	H(CHHN)	C(NGaCC)(H)3	N(GaClOO)(CCHH)(CH3)2	H(CHHN)	109.4726	0.041	5	109.4726	0.002	5	108.8437	1.510	17	109.2766	1.188	5838	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:4:	4:	N-4:H-1:H-1:H-1:	Ga-4:C-4:C-4:C-4:	C-4:	C(NGaCC)(H)3	N(GaH3)(CH3)3	H(CHHN)	C(NGaCC)(H)3	N(GaH3)(CH3)3	H(CHHN)	107.6902	1.536	6	107.6902	2.360	6	108.8437	1.510	17	109.2766	1.188	5838	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:4:	4:	N-4:H-1:H-1:H-1:	Ga[4]-4:C-4:C-4:C-4:	C-4:	C(NGa[4]CC)(H)3	N(Ga[4]P[4]2H)(CH3)3	H(CHHN)	C(NGa[4]CC)(H)3	N(Ga[4]P[4]2H)(CH3)3	H(CHHN)	109.4867	0.063	9	109.4867	0.004	9	109.4867	0.004	9	109.2766	1.188	5838	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:4:	4:	N-4:H-1:H-1:H-1:	In-4:C-4:C-4:C-4:	C-4:	C(NInCC)(H)3	N(InBr2In)(CCHH)(CH3)2	H(CHHN)	C(NInCC)(H)3	N(InBr2In)(CCHH)(CH3)2	H(CHHN)	109.4683	0.065	9	109.4683	0.004	9	109.4683	0.004	9	109.2766	1.188	5838	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:4:	4:	N-4:H-1:H-1:H-1:	In[5]-4:C-4:C-4:C-4:	C-4:	C(NIn[5]CC)(H)3	N(In[5]N[5]O[5]I)(CCHH)(CH3)2	H(CHHN)	C(NIn[5]CC)(H)3	N(In[5]N[5]O[5]I)(CCHH)(CH3)2	H(CHHN)	109.4443	0.047	3	109.4443	0.002	3	109.4443	0.002	3	109.2766	1.188	5838	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:4:	4:	N-4:H-1:H-1:H-1:	Si-4:Si-4:C-4:C-4:	C-4:	C(NSi2C)(H)3	N(SiC3)2(CH3)2	H(CHHN)	C(NSi2C)(H)3	N(SiC3)2(CH3)2	H(CHHN)	109.4790	0.067	6	109.4790	0.004	6	109.4790	0.004	6	109.2766	1.188	5838	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:4:	4:	N-4:H-1:H-1:I-1:	C-4:C-4:C-4:C-4:	C-4:	C(NC3)(H)2(I)	N(CCHH)(CHHI)(CH3)2	H(CHIN)	C(NC3)(H)2(I)	N(CCHH)(CHHI)(CH3)2	H(CHIN)	108.0555	0.182	6	108.0555	0.033	6	108.2782	0.645	12	109.2766	1.188	5838	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	4:4:4:4:	4:	N-4:H-1:H-1:I-1:	C-4:C-4:C-4:C-4:	C-4:	C(NC3)(H)2(I)	N(CHHI)(CH3)3	H(CHIN)	C(NC3)(H)2(I)	N(CHHI)(CH3)3	H(CHIN)	108.5010	1.126	6	108.5010	1.267	6	108.2782	0.645	12	109.2766	1.188	5838	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	5:4:4:1:	4:	N-4:H-1:H-1:H-1:	B-5:C-4:C-4:H-1:	C-4:	C(NBCH)(H)3	N(BZrH3)(CH3)2(H)	H(CHHN)	C(NBCH)(H)3	N(BZrH3)(CH3)2(H)	H(CHHN)	109.4698	0.061	6	109.4698	0.004	6	109.4698	0.004	6	108.7216	3.309	9	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	5:4:4:1:	4:	N-4:H-1:H-1:H-1:	C[3x3,3x5,12x6]-5:C-4:C-4:H-1:	C-4:	C(NC[3x3,3x5,12x6]CH)(H)3	N(C[3x3,3x5,12x6]B[4x3,3x5,12x6]2B[5x3,3x5,11x6]2)(CC3)(CH3)(H)	H(CHHN)	C(NC[3x3,3x5,12x6]CH)(H)3	N(C[3x3,3x5,12x6]B[4x3,3x5,12x6]2B[5x3,3x5,11x6]2)(CC3)(CH3)(H)	H(CHHN)	107.2250	2.862	3	107.2250	8.189	3	107.2250	8.189	3	108.7216	3.309	9	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	5:4:4:4:	4:	N-4:H-1:H-1:H-1:	B-5:C-4:C-4:C-4:	C-4:	C(NBCC)(H)3	N(BAlH3)(CH3)3	H(CHHN)	C(NBCC)(H)3	N(BAlH3)(CH3)3	H(CHHN)	109.4850	0.028	6	109.4850	0.001	6	109.4842	0.001	12	109.4829	0.002	40	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	5:4:4:4:	4:	N-4:H-1:H-1:H-1:	B-5:C-4:C-4:C-4:	C-4:	C(NBCC)(H)3	N(BZrH3)(CH3)3	H(CHHN)	C(NBCC)(H)3	N(BZrH3)(CH3)3	H(CHHN)	109.4835	0.039	6	109.4835	0.002	6	109.4842	0.001	12	109.4829	0.002	40	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	5:4:4:4:	4:	N-4:H-1:H-1:H-1:	B[3x3,3x5,12x6]-5:C-4:C-4:C-4:	C-4:	C(NB[3x3,3x5,12x6]CC)(H)3	N(B[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(CH3)3	H(CHHN)	C(NB[3x3,3x5,12x6]CC)(H)3	N(B[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(CH3)3	H(CHHN)	109.4861	0.035	22	109.4861	0.001	22	109.4861	0.001	22	109.4829	0.002	40	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	5:4:4:4:	4:	N-4:H-1:H-1:H-1:	In[5]-5:C-4:C-4:C-4:	C-4:	C(NIn[5]CC)(H)3	N(In[5]N[5]O[5]Cl2)(CCHH)(CH3)2	H(CHHN)	C(NIn[5]CC)(H)3	N(In[5]N[5]O[5]Cl2)(CCHH)(CH3)2	H(CHHN)	109.4683	0.065	6	109.4683	0.004	6	109.4683	0.004	6	109.4829	0.002	40	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	5:5:4:4:	4:	N-4:H-1:H-1:H-1:	B-5:B-5:C-4:C-4:	C-4:	C(NBBC)(H)3	N(BCaH3)2(CH3)2	H(CHHN)	C(NBBC)(H)3	N(BCaH3)2(CH3)2	H(CHHN)	109.4661	0.046	16	109.4661	0.002	16	109.2275	0.684	45	109.2275	0.684	45	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	5:5:4:4:	4:	N-4:H-1:H-1:H-1:	B-5:B-5:C-4:C-4:	C-4:	C(NBBC)(H)3	N(BH3U)2(CH3)2	H(CHHN)	C(NBBC)(H)3	N(BH3U)2(CH3)2	H(CHHN)	109.4810	0.043	12	109.4810	0.002	12	109.2275	0.684	45	109.2275	0.684	45	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	5:5:4:4:	4:	N-4:H-1:H-1:H-1:	B-5:B-5:C-4:C-4:	C-4:	C(NBBC)(H)3	N(BMnH3)2(CH3)2	H(CHHN)	C(NBBC)(H)3	N(BMnH3)2(CH3)2	H(CHHN)	107.6248	1.566	6	107.6248	2.452	6	109.2275	0.684	45	109.2275	0.684	45	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	5:5:4:4:	4:	N-4:H-1:H-1:H-1:	B-5:B-5:C-4:C-4:	C-4:	C(NBBC)(H)3	N(BSmH3)2(CH3)2	H(CHHN)	C(NBBC)(H)3	N(BSmH3)2(CH3)2	H(CHHN)	109.4779	0.046	11	109.4779	0.002	11	109.2275	0.684	45	109.2275	0.684	45	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	6:4:4:4:	4:	N-4:H-1:H-1:H-1:	B[3x3,3x5,12x6]-6:C-4:C-4:C-4:	C-4:	C(NB[3x3,3x5,12x6]CC)(H)3	N(B[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]Mo)(CH3)3	H(CHHN)	C(NB[3x3,3x5,12x6]CC)(H)3	N(B[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]Mo)(CH3)3	H(CHHN)	109.4657	0.033	8	109.4657	0.001	8	109.4657	0.001	8	109.4478	0.002	15	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:1:1:1:	6:4:4:4:	4:	N-4:H-1:H-1:H-1:	B[5x3,5x5,20x6]-6:C-4:C-4:C-4:	C-4:	C(NB[5x3,5x5,20x6]CC)(H)3	N(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(CH3)3	H(CHHN)	C(NB[5x3,5x5,20x6]CC)(H)3	N(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(CH3)3	H(CHHN)	109.4273	0.054	7	109.4273	0.003	7	109.4273	0.003	7	109.4478	0.002	15	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:2:1:1:	4:1:1:1:	4:	N-4:C-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NH3)(CN)(H)2	N(CCHH)(H)3	H(CCHN)	C(NH3)(CN)(H)2	N(CCHH)(H)3	H(CCHN)	109.3616	0.203	7	109.3616	0.041	7	109.3616	0.041	7	109.3616	0.041	7	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:2:1:1:	4:4:1:1:	4:	N-4:C-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NCHH)(CC)(H)2	N(CCCH)(CCHH)(H)2	H(CCHN)	C(NCHH)(CC)(H)2	N(CCCH)(CCHH)(H)2	H(CCHN)	109.6620	0.023	3	109.6620	0.001	3	109.6620	0.001	3	109.6620	0.001	3	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:2:1:1:	4:4:2:2:	4:	N-4:C-2:H-1:H-1:	C-4:C-4:C-2:C-2:	C-4:	C(NC3)(CC)(H)2	N(CCHH)2(CC)2	H(CCHN)	C(NC3)(CC)(H)2	N(CCHH)2(CC)2	H(CCHN)	108.4090	0.095	2	108.4090	0.009	2	108.4090	0.009	2	108.4090	0.009	2	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:2:1:1:	4:4:4:1:	4:	N-4:C-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(NCCH)(CC)(H)2	N(CCHH)3(H)	H(CCHN)	C(NCCH)(CC)(H)2	N(CCHH)3(H)	H(CCHN)	109.4890	0.000	1	109.4890	0.000	1	108.8176	2.217	10	108.8176	2.217	10	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:2:1:1:	4:4:4:1:	4:	N-4:C-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(NCCH)(CC)(H)2	N(CC[6a]HH)(CCHH)2(H)	H(CCHN)	C(NCCH)(CC)(H)2	N(CC[6a]HH)(CCHH)2(H)	H(CCHN)	108.2215	2.392	4	108.2215	5.720	4	108.8176	2.217	10	108.8176	2.217	10	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:2:1:1:	4:4:4:1:	4:	N-4:C-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(NCCH)(CN)(H)2	N(CCHH)(CH3)2(H)	H(CCHN)	C(NCCH)(CN)(H)2	N(CCHH)(CH3)2(H)	H(CCHN)	108.9763	0.200	3	108.9763	0.040	3	108.8176	2.217	10	108.8176	2.217	10	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:2:1:1:	4:4:4:1:	4:	N-4:C-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(NCCH)(CN)(H)2	N(CCHH)3(H)	H(CCHN)	C(NCCH)(CN)(H)2	N(CCHH)3(H)	H(CCHN)	109.4360	0.041	2	109.4360	0.002	2	108.8176	2.217	10	108.8176	2.217	10	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:2:1:1:	4:4:4:4:	4:	N-4:C-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NC3)(CC)(H)2	N(CCHH)2(CH3)2	H(CCHN)	C(NC3)(CC)(H)2	N(CCHH)2(CH3)2	H(CCHN)	109.3845	0.035	2	109.3845	0.001	2	108.7840	0.481	4	108.7840	0.481	4	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:2:1:1:	4:4:4:4:	4:	N-4:C-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NC3)(CC)(H)2	N(CCHH)4	H(CCHN)	C(NC3)(CC)(H)2	N(CCHH)4	H(CCHN)	108.1835	0.026	2	108.1835	0.001	2	108.7840	0.481	4	108.7840	0.481	4	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:2:1:1:	6:4:4:4:	4:	N-4:C-2:H-1:H-1:	B[5x3,5x5,20x6]-6:C-4:C-4:C-4:	C-4:	C(NB[5x3,5x5,20x6]CC)(CC)(H)2	N(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(CCHH)3	H(CCHN)	C(NB[5x3,5x5,20x6]CC)(CC)(H)2	N(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(CCHH)3	H(CCHN)	108.6145	0.164	6	108.6145	0.027	6	108.6145	0.027	6	108.6145	0.027	6	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:2:2:1:	4:1:1:1:	4:	N-4:C-2:C-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NH3)(CN)2(H)	N(CCCH)(H)3	H(CCCN)	C(NH3)(CN)2(H)	N(CCCH)(H)3	H(CCCN)	107.1420	0.000	1	107.1420	0.000	1	107.1420	0.000	1	107.1420	0.000	1	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:2:2:1:	4:4:4:4:	4:	N-4:C-2:S-2:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NC3)(CC)(SC)(H)	N(CCHS)(CH3)3	H(CCNS)	C(NC3)(CC)(SC)(H)	N(CCHS)(CH3)3	H(CCNS)	106.2640	0.000	1	106.2640	0.000	1	106.2640	0.000	1	106.2640	0.000	1	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:3:1:1:	3:4:1:1:	4:	N-4:C-3:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(NCHH)(CHN)(H)2	N(CC[6a]H)(CCHH)(H)2	H(CCHN)	C(NCHH)(CHN)(H)2	N(CC[6a]H)(CCHH)(H)2	H(CCHN)	106.3315	0.463	2	106.3315	0.215	2	106.3315	0.215	2	106.3315	0.215	2	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:3:1:1:	3:4:4:1:	4:	N-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(NC[6a]CH)(COO)(H)2	N(C[6a]C[6a]2)(CCHH)2(H)	H(CCHN)	C(NC[6a]CH)(COO)(H)2	N(C[6a]C[6a]2)(CCHH)2(H)	H(CCHN)	108.2660	1.614	4	108.2660	2.606	4	108.2660	2.606	4	108.2660	2.606	4	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:3:1:1:	4:1:1:1:	4:	N-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NH3)(CCC)(H)2	N(CCHH)(H)3	H(CCHN)	C(NH3)(CCC)(H)2	N(CCHH)(H)3	H(CCHN)	109.1570	0.000	1	109.1570	0.000	1	109.1862	1.817	383	109.1862	1.817	383	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:3:1:1:	4:1:1:1:	4:	N-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NH3)(CCH)(H)2	N(CCHH)(H)3	H(CCHN)	C(NH3)(CCH)(H)2	N(CCHH)(H)3	H(CCHN)	108.5322	1.139	10	108.5322	1.298	10	109.1862	1.817	383	109.1862	1.817	383	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:3:1:1:	4:1:1:1:	4:	N-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NH3)(CCN)(H)2	N(CCHH)(H)3	H(CCHN)	C(NH3)(CCN)(H)2	N(CCHH)(H)3	H(CCHN)	106.1525	0.016	2	106.1525	0.000	2	109.1862	1.817	383	109.1862	1.817	383	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:3:1:1:	4:1:1:1:	4:	N-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NH3)(CHH)(H)2	N(CCHH)(H)3	H(CCHN)	C(NH3)(CHH)(H)2	N(CCHH)(H)3	H(CCHN)	108.6617	0.070	4	108.6617	0.005	4	109.1862	1.817	383	109.1862	1.817	383	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:3:1:1:	4:1:1:1:	4:	N-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NH3)(CHN)(H)2	N(CCHH)(H)3	H(CCHN)	C(NH3)(CHN)(H)2	N(CCHH)(H)3	H(CCHN)	103.0119	5.500	4	103.0119	30.250	4	109.1862	1.817	383	109.1862	1.817	383	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:3:1:1:	4:1:1:1:	4:	N-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NH3)(CNO)(H)2	N(CCHH)(H)3	H(CCHN)	C(NH3)(CNO)(H)2	N(CCHH)(H)3	H(CCHN)	109.4793	1.147	145	109.4793	1.315	145	109.1862	1.817	383	109.1862	1.817	383	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:3:1:1:	4:1:1:1:	4:	N-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NH3)(COO)(H)2	N(CCHH)(H)3	H(CCHN)	C(NH3)(COO)(H)2	N(CCHH)(H)3	H(CCHN)	109.1721	0.994	217	109.1721	0.988	217	109.1862	1.817	383	109.1862	1.817	383	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:3:1:1:	4:4:1:1:	4:	N-4:C-3:H-1:H-1:	B[5]-4:C-4:H-1:H-1:	C-4:	C(NB[5]HH)(CCH)(H)2	N(B[5]O[5]2H)(CCHH)(H)2	H(CCHN)	C(NB[5]HH)(CCH)(H)2	N(B[5]O[5]2H)(CCHH)(H)2	H(CCHN)	109.2150	0.004	2	109.2150	0.000	2	109.2150	0.000	2	109.2442	1.318	141	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:3:1:1:	4:4:1:1:	4:	N-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NCHH)(CCC)(H)2	N(CCHH)2(H)2	H(CCHN)	C(NCHH)(CCC)(H)2	N(CCHH)2(H)2	H(CCHN)	109.6305	0.203	2	109.6305	0.041	2	109.1592	1.538	116	109.2442	1.318	141	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:3:1:1:	4:4:1:1:	4:	N-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NCHH)(CCH)(H)2	N(CCCH)(CCHH)(H)2	H(CCHN)	C(NCHH)(CCH)(H)2	N(CCCH)(CCHH)(H)2	H(CCHN)	109.3275	0.019	2	109.3275	0.000	2	109.1592	1.538	116	109.2442	1.318	141	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:3:1:1:	4:4:1:1:	4:	N-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NCHH)(CCH)(H)2	N(CCHH)2(H)2	H(CCHN)	C(NCHH)(CCH)(H)2	N(CCHH)2(H)2	H(CCHN)	108.6570	0.161	2	108.6570	0.026	2	109.1592	1.538	116	109.2442	1.318	141	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:3:1:1:	4:4:1:1:	4:	N-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NCHH)(CCH)(H)2	N(CC[5a]CH)(CCHH)(H)2	H(CCHN)	C(NCHH)(CCH)(H)2	N(CC[5a]CH)(CCHH)(H)2	H(CCHN)	109.3005	0.033	4	109.3005	0.001	4	109.1592	1.538	116	109.2442	1.318	141	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:3:1:1:	4:4:1:1:	4:	N-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NCHH)(CCO)(H)2	N(CCHH)2(H)2	H(CCHN)	C(NCHH)(CCO)(H)2	N(CCHH)2(H)2	H(CCHN)	109.2717	0.053	3	109.2717	0.003	3	109.1592	1.538	116	109.2442	1.318	141	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:3:1:1:	4:4:1:1:	4:	N-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NCHH)(CNO)(H)2	N(CCHH)2(H)2	H(CCHN)	C(NCHH)(CNO)(H)2	N(CCHH)2(H)2	H(CCHN)	110.1520	0.000	1	110.1520	0.000	1	109.1592	1.538	116	109.2442	1.318	141	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:3:1:1:	4:4:1:1:	4:	N-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NCHH)(COO)(H)2	N(CCHH)(CC3)(H)2	H(CCHN)	C(NCHH)(COO)(H)2	N(CCHH)(CC3)(H)2	H(CCHN)	109.4088	3.069	12	109.4088	9.417	12	109.1592	1.538	116	109.2442	1.318	141	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:3:1:1:	4:4:1:1:	4:	N-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NCHH)(COO)(H)2	N(CCHH)(CD3)(H)2	H(CCHN)	C(NCHH)(COO)(H)2	N(CCHH)(CD3)(H)2	H(CCHN)	106.5420	0.751	2	106.5420	0.564	2	109.1592	1.538	116	109.2442	1.318	141	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:3:1:1:	4:4:1:1:	4:	N-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NCHH)(COO)(H)2	N(CCHH)(CH3)(H)2	H(CCHN)	C(NCHH)(COO)(H)2	N(CCHH)(CH3)(H)2	H(CCHN)	109.0607	0.857	63	109.0607	0.735	63	109.1592	1.538	116	109.2442	1.318	141	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:3:1:1:	4:4:1:1:	4:	N-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NCHH)(COO)(H)2	N(CCHH)(CHHP)(H)2	H(CCHN)	C(NCHH)(COO)(H)2	N(CCHH)(CHHP)(H)2	H(CCHN)	108.8580	2.201	2	108.8580	4.842	2	109.1592	1.538	116	109.2442	1.318	141	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:3:1:1:	4:4:1:1:	4:	N-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NCHH)(COO)(H)2	N(CCHH)2(H)2	H(CCHN)	C(NCHH)(COO)(H)2	N(CCHH)2(H)2	H(CCHN)	109.4739	0.371	20	109.4739	0.137	20	109.1592	1.538	116	109.2442	1.318	141	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:3:1:1:	4:4:1:1:	4:	N-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NCHH)(COO)(H)2	N(CC[6a]HH)(CCHH)(H)2	H(CCHN)	C(NCHH)(COO)(H)2	N(CC[6a]HH)(CCHH)(H)2	H(CCHN)	109.3543	0.314	3	109.3543	0.099	3	109.1592	1.538	116	109.2442	1.318	141	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:3:1:1:	4:4:1:1:	4:	N-4:C-3:H-1:H-1:	C[3x6]-4:C-4:H-1:H-1:	C-4:	C(NC[3x6]HH)(CCH)(H)2	N(C[3x6]C[6,6]3)(CCHH)(H)2	H(CCHN)	C(NC[3x6]HH)(CCH)(H)2	N(C[3x6]C[6,6]3)(CCHH)(H)2	H(CCHN)	109.0645	0.279	4	109.0645	0.078	4	109.0645	0.078	4	109.2442	1.318	141	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:3:1:1:	4:4:1:1:	4:	N-4:C-3:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(NC[6]HH)(COO)(H)2	N(C[6]C[6]2H)(CCHH)(H)2	H(CCHN)	C(NC[6]HH)(COO)(H)2	N(C[6]C[6]2H)(CCHH)(H)2	H(CCHN)	109.5802	0.170	5	109.5802	0.029	5	109.5802	0.029	5	109.2442	1.318	141	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:3:1:1:	4:4:1:1:	4:	N-4:P-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NCHH)(PCC)(H)2	N(CCCH)(CHHP)(H)2	H(CHNP)	C(NCHH)(PCC)(H)2	N(CCCH)(CHHP)(H)2	H(CHNP)	109.8834	0.082	14	109.8834	0.007	14	109.8834	0.007	14	109.2442	1.318	141	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:3:1:1:	4:4:3:3:	4:	N-4:C-3:H-1:H-1:	C-4:C-4:C-3:C-3:	C-4:	C(NC3)(CCH)(H)2	N(CCHH)2(CCH)2	H(CCHN)	C(NC3)(CCH)(H)2	N(CCHH)2(CCH)2	H(CCHN)	106.4617	0.827	3	106.4617	0.685	3	106.4617	0.685	3	106.4617	0.685	3	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:3:1:1:	4:4:4:1:	4:	N-4:C-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(NCCH)(CCC)(H)2	N(CCHH)2(CC3)(H)	H(CCHN)	C(NCCH)(CCC)(H)2	N(CCHH)2(CC3)(H)	H(CCHN)	109.5725	0.057	2	109.5725	0.003	2	108.8095	1.943	167	108.7659	2.240	203	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:3:1:1:	4:4:4:1:	4:	N-4:C-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(NCCH)(CCH)(H)2	N(CCHH)2(CH3)(H)	H(CCHN)	C(NCCH)(CCH)(H)2	N(CCHH)2(CH3)(H)	H(CCHN)	108.9668	0.079	4	108.9668	0.006	4	108.8095	1.943	167	108.7659	2.240	203	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:3:1:1:	4:4:4:1:	4:	N-4:C-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(NCCH)(CCH)(H)2	N(CCHH)3(H)	H(CCHN)	C(NCCH)(CCH)(H)2	N(CCHH)3(H)	H(CCHN)	109.0250	0.195	9	109.0250	0.038	9	108.8095	1.943	167	108.7659	2.240	203	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:3:1:1:	4:4:4:1:	4:	N-4:C-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(NCCH)(CCH)(H)2	N(CC[6a]HH)(CCCH)(CCHH)(H)	H(CCHN)	C(NCCH)(CCH)(H)2	N(CC[6a]HH)(CCCH)(CCHH)(H)	H(CCHN)	108.9815	0.012	2	108.9815	0.000	2	108.8095	1.943	167	108.7659	2.240	203	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:3:1:1:	4:4:4:1:	4:	N-4:C-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(NCCH)(CCH)(H)2	N(CC[6a]HH)(CCHH)2(H)	H(CCHN)	C(NCCH)(CCH)(H)2	N(CC[6a]HH)(CCHH)2(H)	H(CCHN)	109.1560	0.055	2	109.1560	0.003	2	108.8095	1.943	167	108.7659	2.240	203	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:3:1:1:	4:4:4:1:	4:	N-4:C-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(NCCH)(CHH)(H)2	N(CC[6a]2H)(CCHH)2(H)	H(CCHN)	C(NCCH)(CHH)(H)2	N(CC[6a]2H)(CCHH)2(H)	H(CCHN)	102.0090	1.297	2	102.0090	1.682	2	108.8095	1.943	167	108.7659	2.240	203	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:3:1:1:	4:4:4:1:	4:	N-4:C-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(NCCH)(CHO)(H)2	N(CC[6a]HH)(CCHH)2(H)	H(CCHN)	C(NCCH)(CHO)(H)2	N(CC[6a]HH)(CCHH)2(H)	H(CCHN)	109.3107	0.050	4	109.3107	0.002	4	108.8095	1.943	167	108.7659	2.240	203	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:3:1:1:	4:4:4:1:	4:	N-4:C-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(NCCH)(CNO)(H)2	N(CCHH)3(H)	H(CCHN)	C(NCCH)(CNO)(H)2	N(CCHH)3(H)	H(CCHN)	109.1940	1.082	10	109.1940	1.172	10	108.8095	1.943	167	108.7659	2.240	203	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:3:1:1:	4:4:4:1:	4:	N-4:C-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(NCCH)(COO)(H)2	N(CCCH)(CCHH)2(H)	H(CCHN)	C(NCCH)(COO)(H)2	N(CCCH)(CCHH)2(H)	H(CCHN)	108.9403	0.575	3	108.9403	0.331	3	108.8095	1.943	167	108.7659	2.240	203	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:3:1:1:	4:4:4:1:	4:	N-4:C-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(NCCH)(COO)(H)2	N(CCHH)(CH3)2(H)	H(CCHN)	C(NCCH)(COO)(H)2	N(CCHH)(CH3)2(H)	H(CCHN)	108.1426	1.216	32	108.1426	1.478	32	108.8095	1.943	167	108.7659	2.240	203	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:3:1:1:	4:4:4:1:	4:	N-4:C-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(NCCH)(COO)(H)2	N(CCHH)(CHHP)(CH3)(H)	H(CCHN)	C(NCCH)(COO)(H)2	N(CCHH)(CHHP)(CH3)(H)	H(CCHN)	109.3715	0.029	2	109.3715	0.001	2	108.8095	1.943	167	108.7659	2.240	203	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:3:1:1:	4:4:4:1:	4:	N-4:C-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(NCCH)(COO)(H)2	N(CCHH)(CHHP)2(H)	H(CCHN)	C(NCCH)(COO)(H)2	N(CCHH)(CHHP)2(H)	H(CCHN)	109.0635	2.456	2	109.0635	6.031	2	108.8095	1.943	167	108.7659	2.240	203	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:3:1:1:	4:4:4:1:	4:	N-4:C-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(NCCH)(COO)(H)2	N(CCHH)2(CC3)(H)	H(CCHN)	C(NCCH)(COO)(H)2	N(CCHH)2(CC3)(H)	H(CCHN)	109.7245	0.029	2	109.7245	0.001	2	108.8095	1.943	167	108.7659	2.240	203	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:3:1:1:	4:4:4:1:	4:	N-4:C-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(NCCH)(COO)(H)2	N(CCHH)2(CHHP)(H)	H(CCHN)	C(NCCH)(COO)(H)2	N(CCHH)2(CHHP)(H)	H(CCHN)	109.5995	0.176	8	109.5995	0.031	8	108.8095	1.943	167	108.7659	2.240	203	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:3:1:1:	4:4:4:1:	4:	N-4:C-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(NCCH)(COO)(H)2	N(CCHH)3(H)	H(CCHN)	C(NCCH)(COO)(H)2	N(CCHH)3(H)	H(CCHN)	108.8911	1.369	71	108.8911	1.873	71	108.8095	1.943	167	108.7659	2.240	203	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:3:1:1:	4:4:4:1:	4:	N-4:C-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(NCCH)(COO)(H)2	N(CC[6]HH)(CCHH)2(H)	H(CCHN)	C(NCCH)(COO)(H)2	N(CC[6]HH)(CCHH)2(H)	H(CCHN)	109.9395	0.016	2	109.9395	0.000	2	108.8095	1.943	167	108.7659	2.240	203	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:3:1:1:	4:4:4:1:	4:	N-4:C-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(NCCH)(COO)(H)2	N(CC[6a]HH)(CCHH)(CHHP)(H)	H(CCHN)	C(NCCH)(COO)(H)2	N(CC[6a]HH)(CCHH)(CHHP)(H)	H(CCHN)	109.7100	0.016	2	109.7100	0.000	2	108.8095	1.943	167	108.7659	2.240	203	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:3:1:1:	4:4:4:1:	4:	N-4:C-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(NCCH)(COO)(H)2	N(CC[6a]HH)(CCHH)2(H)	H(CCHN)	C(NCCH)(COO)(H)2	N(CC[6a]HH)(CCHH)2(H)	H(CCHN)	109.3362	0.426	6	109.3362	0.181	6	108.8095	1.943	167	108.7659	2.240	203	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:3:1:1:	4:4:4:1:	4:	N-4:C-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(NCCH)(COO)(H)2	N(CC[6a]HH)2(CCHH)(H)	H(CCHN)	C(NCCH)(COO)(H)2	N(CC[6a]HH)2(CCHH)(H)	H(CCHN)	109.1950	0.028	2	109.1950	0.001	2	108.8095	1.943	167	108.7659	2.240	203	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:3:1:1:	4:4:4:1:	4:	N-4:C-3:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(NC[6]CH)(COO)(H)2	N(C[6]C[6]2C)(CCHH)2(H)	H(CCHN)	C(NC[6]CH)(COO)(H)2	N(C[6]C[6]2C)(CCHH)2(H)	H(CCHN)	109.3710	0.232	3	109.3710	0.054	3	109.4806	0.045	7	108.7659	2.240	203	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:3:1:1:	4:4:4:1:	4:	N-4:C-3:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(NC[6]CH)(COO)(H)2	N(C[6]C[6]2H)(CCHH)2(H)	H(CCHN)	C(NC[6]CH)(COO)(H)2	N(C[6]C[6]2H)(CCHH)2(H)	H(CCHN)	109.5627	0.181	4	109.5627	0.033	4	109.4806	0.045	7	108.7659	2.240	203	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:3:1:1:	4:4:4:1:	4:	N-4:N-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(NCCH)(NCC)(H)2	N(CHHN)(CH3)2(H)	H(CHNN)	C(NCCH)(NCC)(H)2	N(CHHN)(CH3)2(H)	H(CHNN)	109.4975	0.028	2	109.4975	0.001	2	109.1878	0.058	6	108.7659	2.240	203	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:3:1:1:	4:4:4:1:	4:	N-4:N-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(NCCH)(NCH)(H)2	N(CCHH)2(CHHN)(H)	H(CHNN)	C(NCCH)(NCH)(H)2	N(CCHH)2(CHHN)(H)	H(CHNN)	109.0330	0.021	4	109.0330	0.000	4	109.1878	0.058	6	108.7659	2.240	203	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:3:1:1:	4:4:4:1:	4:	N-4:P-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(NCCH)(PCC)(H)2	N(CCHH)(CHHP)2(H)	H(CHNP)	C(NCCH)(PCC)(H)2	N(CCHH)(CHHP)2(H)	H(CHNP)	109.0627	2.877	4	109.0627	8.275	4	108.1215	5.218	23	108.7659	2.240	203	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:3:1:1:	4:4:4:1:	4:	N-4:P-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(NCCH)(PCC)(H)2	N(CCHH)2(CHHP)(H)	H(CHNP)	C(NCCH)(PCC)(H)2	N(CCHH)2(CHHP)(H)	H(CHNP)	107.9233	2.182	19	107.9233	4.760	19	108.1215	5.218	23	108.7659	2.240	203	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:3:1:1:	4:4:4:2:	4:	N-4:C-3:H-1:H-1:	C-4:C-4:C-4:N-2:	C-4:	C(NCCN)(CCH)(H)2	N(CCHH)(CH3)2(NS)	H(CCHN)	C(NCCN)(CCH)(H)2	N(CCHH)(CH3)2(NS)	H(CCHN)	109.0955	0.015	2	109.0955	0.000	2	109.0313	0.004	6	108.8984	0.032	10	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:3:1:1:	4:4:4:2:	4:	N-4:C-3:H-1:H-1:	C-4:C-4:C-4:N-2:	C-4:	C(NCCN)(CCH)(H)2	N(CCHH)2(CH3)(NS)	H(CCHN)	C(NCCN)(CCH)(H)2	N(CCHH)2(CH3)(NS)	H(CCHN)	108.9993	0.057	4	108.9993	0.003	4	109.0313	0.004	6	108.8984	0.032	10	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:3:1:1:	4:4:4:2:	4:	N-4:C-3:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(NCCO)(COO)(H)2	N(CCHH)(CH3)2(OH)	H(CCHN)	C(NCCO)(COO)(H)2	N(CCHH)(CH3)2(OH)	H(CCHN)	108.6990	0.026	4	108.6990	0.001	4	108.6990	0.001	4	108.8984	0.032	10	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:3:1:1:	4:4:4:3:	4:	N-4:C-3:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(NC3)(CCH)(H)2	N(CCHH)2(CH3)(CCH)	H(CCHN)	C(NC3)(CCH)(H)2	N(CCHH)2(CH3)(CCH)	H(CCHN)	99.8933	3.925	2	99.8933	15.408	2	104.5354	51.450	4	104.5354	51.450	4	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:3:1:1:	4:4:4:3:	4:	N-4:C-3:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(NC3)(CCH)(H)2	N(CCHH)3(CCH)	H(CCHN)	C(NC3)(CCH)(H)2	N(CCHH)3(CCH)	H(CCHN)	109.1775	7.263	2	109.1775	52.747	2	104.5354	51.450	4	104.5354	51.450	4	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:3:1:1:	4:4:4:4:	4:	N-4:C-3:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NC3)(CCH)(H)2	N(CCHH)(CH3)3	H(CCHN)	C(NC3)(CCH)(H)2	N(CCHH)(CH3)3	H(CCHN)	111.2067	1.317	6	111.2067	1.734	6	107.5283	2.483	143	107.5375	2.478	144	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:3:1:1:	4:4:4:4:	4:	N-4:C-3:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NC3)(CCH)(H)2	N(CCHH)2(CH3)2	H(CCHN)	C(NC3)(CCH)(H)2	N(CCHH)2(CH3)2	H(CCHN)	108.7350	0.021	2	108.7350	0.000	2	107.5283	2.483	143	107.5375	2.478	144	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:3:1:1:	4:4:4:4:	4:	N-4:C-3:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NC3)(CCH)(H)2	N(CCHH)4	H(CCHN)	C(NC3)(CCH)(H)2	N(CCHH)4	H(CCHN)	108.3217	0.185	4	108.3217	0.034	4	107.5283	2.483	143	107.5375	2.478	144	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:3:1:1:	4:4:4:4:	4:	N-4:C-3:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NC3)(CHH)(H)2	N(CCHH)4	H(CCHN)	C(NC3)(CHH)(H)2	N(CCHH)4	H(CCHN)	107.5888	2.106	20	107.5888	4.436	20	107.5283	2.483	143	107.5375	2.478	144	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:3:1:1:	4:4:4:4:	4:	N-4:C-3:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NC3)(CNO)(H)2	N(CCHH)(CH3)3	H(CCHN)	C(NC3)(CNO)(H)2	N(CCHH)(CH3)3	H(CCHN)	107.6647	1.333	15	107.6647	1.776	15	107.5283	2.483	143	107.5375	2.478	144	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:3:1:1:	4:4:4:4:	4:	N-4:C-3:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NC3)(COO)(H)2	N(CCHH)(CH3)3	H(CCHN)	C(NC3)(COO)(H)2	N(CCHH)(CH3)3	H(CCHN)	107.1914	1.276	84	107.1914	1.627	84	107.5283	2.483	143	107.5375	2.478	144	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:3:1:1:	4:4:4:4:	4:	N-4:C-3:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NC3)(COO)(H)2	N(CCHH)2(CH3)2	H(CCHN)	C(NC3)(COO)(H)2	N(CCHH)2(CH3)2	H(CCHN)	107.3103	0.480	12	107.3103	0.231	12	107.5283	2.483	143	107.5375	2.478	144	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:3:1:1:	4:4:4:4:	4:	N-4:N-3:H-1:H-1:	C-4:B-4:C-4:C-4:	C-4:	C(NBCC)(NCC)(H)2	N(CHHN)(BH3)(CH3)2	H(CHNN)	C(NBCC)(NCC)(H)2	N(CHHN)(BH3)(CH3)2	H(CHNN)	108.8570	0.000	1	108.8570	0.000	1	108.8570	0.000	1	107.5375	2.478	144	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:3:1:1:	5:4:1:1:	4:	N-4:C[6a]-3:H-1:H-1:	B[3,3,5,3x6]-5:C-4:H-1:H-1:	C-4:	C(NB[3,3,5,3x6]HH)(C[6a]C[6a]2)(H)2	N(B[3,3,5,3x6]B[4x3,5,5,4x6]2B[5x3,5,5,6]H)(CC[6a]HH)(H)2	H(CC[6a]HN)	C(NB[3,3,5,3x6]HH)(C[6a]C[6a]2)(H)2	N(B[3,3,5,3x6]B[4x3,5,5,4x6]2B[5x3,5,5,6]H)(CC[6a]HH)(H)2	H(CC[6a]HN)	109.3360	0.023	2	109.3360	0.001	2	109.3360	0.001	2	109.3360	0.001	2	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:3:1:1:	6:4:4:1:	4:	N-4:C[6a]-3:H-1:H-1:	B[3x3,3x5,12x6]-6:C-4:C-4:H-1:	C-4:	C(NB[3x3,3x5,12x6]CH)(C[6a]C[6a]2)(H)2	N(B[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2Co)(CC[6a]HH)2(H)	H(CC[6a]HN)	C(NB[3x3,3x5,12x6]CH)(C[6a]C[6a]2)(H)2	N(B[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2Co)(CC[6a]HH)2(H)	H(CC[6a]HN)	108.2541	0.208	7	108.2541	0.043	7	108.2541	0.043	7	108.2541	0.043	7	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:3:3:1:	4:1:1:1:	4:	N-4:C-3:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NH3)(CNO)2(H)	N(CCCH)(H)3	H(CCCN)	C(NH3)(CNO)2(H)	N(CCCH)(H)3	H(CCCN)	111.2430	0.000	1	111.2430	0.000	1	111.2430	0.000	1	111.2430	0.000	1	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:3:4:1:	4:1:1:1:	4:	C-4:C-3:N-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]HH)(CN[5]O)(NH3)(H)	N(CCCH)(H)3	H(CCCN)	C(CC[6a]HH)(CN[5]O)(NH3)(H)	N(CCCH)(H)3	H(CCCN)	110.2890	0.000	1	110.2890	0.000	1	110.2890	0.000	1	106.7800	10.155	3	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:C[6a]-3:N-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,6a]N[5]H)(C[6a]C[6a]2)(NH3)(H)	N(CC[6a]C[5]H)(H)3	H(CC[6a]C[5]N)	C(C[5]C[5,6a]N[5]H)(C[6a]C[6a]2)(NH3)(H)	N(CC[6a]C[5]H)(H)3	H(CC[6a]C[5]N)	105.0255	1.357	2	105.0255	1.841	2	105.0255	1.841	2	106.7800	10.155	3	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:3:4:1:	4:4:4:1:	4:	C[6]-4:C[6a]-3:N-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6]C[6]N[6]O)(C[6a]C[6a]2)(NCCH)(H)	N(CC[6a]C[6]H)(CCHH)2(H)	H(CC[6a]C[6]N)	C(C[6]C[6]N[6]O)(C[6a]C[6a]2)(NCCH)(H)	N(CC[6a]C[6]H)(CCHH)2(H)	H(CC[6a]C[6]N)	106.1140	0.000	1	106.1140	0.000	1	106.1140	0.000	1	106.1140	0.000	1	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(NCHH)(H)2	N(CC[6a]H)(CCHH)(H)2	H(CCHN)	C(CCHH)(NCHH)(H)2	N(CC[6a]H)(CCHH)(H)2	H(CCHN)	108.9405	0.057	2	108.9405	0.003	2	108.9405	0.003	2	109.1642	0.169	22	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]CH)(NC[6a]HH)(H)2	N(C[6a]C[6a]2)(CCHH)(H)2	H(CCHN)	C(CC[6a]CH)(NC[6a]HH)(H)2	N(C[6a]C[6a]2)(CCHH)(H)2	H(CCHN)	108.6790	0.030	2	108.6790	0.001	2	108.6790	0.001	2	109.1642	0.169	22	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	3:4:1:1:	4:	N-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(NC[6a]HH)(CCHH)(H)2	N(C[6a]C[6a]2)(CCHH)(H)2	H(CCHN)	C(NC[6a]HH)(CCHH)(H)2	N(C[6a]C[6a]2)(CCHH)(H)2	H(CCHN)	109.3528	0.078	4	109.3528	0.006	4	109.2430	0.169	18	109.1642	0.169	22	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	3:4:1:1:	4:	N-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(NC[6a]HH)(CH3)(H)2	N(C[6a]C[6a]2)(CCHH)(H)2	H(CCHN)	C(NC[6a]HH)(CH3)(H)2	N(C[6a]C[6a]2)(CCHH)(H)2	H(CCHN)	109.1870	0.391	4	109.1870	0.153	4	109.2430	0.169	18	109.1642	0.169	22	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	3:4:1:1:	4:	N-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(NC[6a]HH)(CHHN)(H)2	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	H(CCHN)	C(NC[6a]HH)(CHHN)(H)2	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	H(CCHN)	108.6993	0.253	4	108.6993	0.064	4	109.2430	0.169	18	109.1642	0.169	22	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	3:4:1:1:	4:	N-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(NC[6a]HH)(CHHN)(H)2	N(C[6a]C[6a]2)(CCHH)(H)2	H(CCHN)	C(NC[6a]HH)(CHHN)(H)2	N(C[6a]C[6a]2)(CCHH)(H)2	H(CCHN)	109.5697	0.250	6	109.5697	0.063	6	109.2430	0.169	18	109.1642	0.169	22	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	3:4:4:1:	4:	N-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(NC[6a]CH)(CCHH)(H)2	N(C[6a]C[6a,6a]C[6a])(CCHH)2(H)	H(CCHN)	C(NC[6a]CH)(CCHH)(H)2	N(C[6a]C[6a,6a]C[6a])(CCHH)2(H)	H(CCHN)	108.0350	0.116	3	108.0350	0.013	3	109.3316	1.468	47	109.3316	1.468	47	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	3:4:4:1:	4:	N-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(NC[6a]CH)(CH3)(H)2	N(C[6a]C[6a]2)(CCHH)2(H)	H(CCHN)	C(NC[6a]CH)(CH3)(H)2	N(C[6a]C[6a]2)(CCHH)2(H)	H(CCHN)	109.4200	1.202	44	109.4200	1.445	44	109.3316	1.468	47	109.3316	1.468	47	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	3:4:4:4:	4:	C-4:N-4:H-1:H-1:	C-3:C-4:C-4:C-4:	C-4:	C(CH3)(NC3)(H)2	N(CC[6a]C)(CCHH)3	H(CCHN)	C(CH3)(NC3)(H)2	N(CC[6a]C)(CCHH)3	H(CCHN)	108.4578	0.239	5	108.4578	0.057	5	108.4578	0.057	5	108.8473	0.180	20	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	3:4:4:4:	4:	N-4:C-4:H-1:H-1:	B[5a]-3:C-4:C-4:C-4:	C-4:	C(NB[5a]CC)(CH3)(H)2	N(B[5a]O[5a]2)(CCHH)3	H(CCHN)	C(NB[5a]CC)(CH3)(H)2	N(B[5a]O[5a]2)(CCHH)3	H(CCHN)	108.9095	0.356	12	108.9095	0.127	12	108.9095	0.127	12	108.8473	0.180	20	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	3:4:4:4:	4:	N-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(NC[6a]CC)(CCHH)(H)2	N(C[6a]C[6a]2)(CCHH)(CH3)2	H(CCHN)	C(NC[6a]CC)(CCHH)(H)2	N(C[6a]C[6a]2)(CCHH)(CH3)2	H(CCHN)	108.6620	0.000	1	108.6620	0.000	1	108.6620	0.000	1	108.8473	0.180	20	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	3:4:4:4:	4:	N-4:C-4:H-1:H-1:	Ga-3:C-4:C-4:C-4:	C-4:	C(NGaCC)(CHHN)(H)2	N(GaClCr)(CCHH)(CH3)2	H(CCHN)	C(NGaCC)(CHHN)(H)2	N(GaClCr)(CCHH)(CH3)2	H(CCHN)	109.5405	0.019	2	109.5405	0.000	2	109.5405	0.000	2	108.8473	0.180	20	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:1:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-1:C-1:H-1:	C-4:	C(CHHN)(NCCH)(H)2	N(CCHH)(C)2(H)	H(CCHN)	C(CHHN)(NCCH)(H)2	N(CCHH)(C)2(H)	H(CCHN)	108.1310	0.006	2	108.1310	0.000	2	108.1310	0.000	2	108.9864	1.715	3998	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:1:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:D-1:D-1:D-1:	C-4:	C(CCHH)(ND3)(H)2	N(CCHH)(D)3	H(CCHN)	C(CCHH)(ND3)(H)2	N(CCHH)(D)3	H(CCHN)	109.4370	0.348	4	109.4370	0.121	4	109.4370	0.121	4	108.9864	1.715	3998	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:1:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CBrHH)(NH3)(H)2	N(CCHH)(H)3	H(CCHN)	C(CBrHH)(NH3)(H)2	N(CCHH)(H)3	H(CCHN)	109.2775	0.449	6	109.2775	0.202	6	108.9964	1.728	3842	108.9864	1.715	3998	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:1:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC3)(NH3)(H)2	N(CCHH)(H)3	H(CCHN)	C(CC3)(NH3)(H)2	N(CCHH)(H)3	H(CCHN)	108.1570	0.800	16	108.1570	0.639	16	108.9964	1.728	3842	108.9864	1.715	3998	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:1:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCCH)(NH3)(H)2	N(CCHH)(H)3	H(CCHN)	C(CCCH)(NH3)(H)2	N(CCHH)(H)3	H(CCHN)	108.7342	0.761	70	108.7342	0.579	70	108.9964	1.728	3842	108.9864	1.715	3998	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:1:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCCN)(NH3)(H)2	N(CCHH)(H)3	H(CCHN)	C(CCCN)(NH3)(H)2	N(CCHH)(H)3	H(CCHN)	109.0505	0.015	2	109.0505	0.000	2	108.9964	1.728	3842	108.9864	1.715	3998	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:1:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCFF)(NH3)(H)2	N(CCHH)(H)3	H(CCHN)	C(CCFF)(NH3)(H)2	N(CCHH)(H)3	H(CCHN)	109.3640	0.013	2	109.3640	0.000	2	108.9964	1.728	3842	108.9864	1.715	3998	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:1:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCHH)(NH3)(H)2	N(CCHH)(H)3	H(CCHN)	C(CCHH)(NH3)(H)2	N(CCHH)(H)3	H(CCHN)	108.9724	1.493	1481	108.9724	2.228	1481	108.9964	1.728	3842	108.9864	1.715	3998	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:1:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCHN)(NH3)(H)2	N(CCHH)(H)3	H(CCHN)	C(CCHN)(NH3)(H)2	N(CCHH)(H)3	H(CCHN)	109.1341	0.679	59	109.1341	0.461	59	108.9964	1.728	3842	108.9864	1.715	3998	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:1:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCHO)(NH3)(H)2	N(CCHH)(H)3	H(CCHN)	C(CCHO)(NH3)(H)2	N(CCHH)(H)3	H(CCHN)	109.0417	1.269	24	109.0417	1.610	24	108.9964	1.728	3842	108.9864	1.715	3998	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:1:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[5]HH)(NH3)(H)2	N(CCHH)(H)3	H(CCHN)	C(CC[5]HH)(NH3)(H)2	N(CCHH)(H)3	H(CCHN)	109.1218	0.952	30	109.1218	0.907	30	108.9964	1.728	3842	108.9864	1.715	3998	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:1:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[5a]HH)(NH3)(H)2	N(CCHH)(H)3	H(CCHN)	C(CC[5a]HH)(NH3)(H)2	N(CCHH)(H)3	H(CCHN)	108.3287	1.209	31	108.3287	1.463	31	108.9964	1.728	3842	108.9864	1.715	3998	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:1:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6]HH)(NH3)(H)2	N(CCHH)(H)3	H(CCHN)	C(CC[6]HH)(NH3)(H)2	N(CCHH)(H)3	H(CCHN)	109.4312	0.238	16	109.4312	0.056	16	108.9964	1.728	3842	108.9864	1.715	3998	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:1:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]CH)(NH3)(H)2	N(CCHH)(H)3	H(CCHN)	C(CC[6a]CH)(NH3)(H)2	N(CCHH)(H)3	H(CCHN)	109.1162	0.222	38	109.1162	0.049	38	108.9964	1.728	3842	108.9864	1.715	3998	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:1:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]HH)(NH3)(H)2	N(CCHH)(H)3	H(CCHN)	C(CC[6a]HH)(NH3)(H)2	N(CCHH)(H)3	H(CCHN)	109.2094	0.779	237	109.2094	0.607	237	108.9964	1.728	3842	108.9864	1.715	3998	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:1:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]HO)(NH3)(H)2	N(CCHH)(H)3	H(CCHN)	C(CC[6a]HO)(NH3)(H)2	N(CCHH)(H)3	H(CCHN)	109.3636	0.124	14	109.3636	0.015	14	108.9964	1.728	3842	108.9864	1.715	3998	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:1:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CClHH)(NH3)(H)2	N(CCHH)(H)3	H(CCHN)	C(CClHH)(NH3)(H)2	N(CCHH)(H)3	H(CCHN)	109.5990	0.035	2	109.5990	0.001	2	108.9964	1.728	3842	108.9864	1.715	3998	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:1:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CF3)(NH3)(H)2	N(CCHH)(H)3	H(CCHN)	C(CF3)(NH3)(H)2	N(CCHH)(H)3	H(CCHN)	109.0255	0.063	2	109.0255	0.004	2	108.9964	1.728	3842	108.9864	1.715	3998	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:1:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CFFH)(NH3)(H)2	N(CCHH)(H)3	H(CCHN)	C(CFFH)(NH3)(H)2	N(CCHH)(H)3	H(CCHN)	109.1778	0.295	4	109.1778	0.087	4	108.9964	1.728	3842	108.9864	1.715	3998	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:1:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CFHH)(NH3)(H)2	N(CCHH)(H)3	H(CCHN)	C(CFHH)(NH3)(H)2	N(CCHH)(H)3	H(CCHN)	108.7234	0.993	19	108.7234	0.986	19	108.9964	1.728	3842	108.9864	1.715	3998	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:1:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(NH3)(H)2	N(CCHH)(H)3	H(CCHN)	C(CH3)(NH3)(H)2	N(CCHH)(H)3	H(CCHN)	108.7201	1.457	197	108.7201	2.122	197	108.9964	1.728	3842	108.9864	1.715	3998	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:1:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CHHI)(NH3)(H)2	N(CCHH)(H)3	H(CCHN)	C(CHHI)(NH3)(H)2	N(CCHH)(H)3	H(CCHN)	109.4350	0.147	3	109.4350	0.021	3	108.9964	1.728	3842	108.9864	1.715	3998	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:1:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CHHN)(NH3)(H)2	N(CCHH)(H)3	H(CCHN)	C(CHHN)(NH3)(H)2	N(CCHH)(H)3	H(CCHN)	109.0159	1.259	1287	109.0159	1.586	1287	108.9964	1.728	3842	108.9864	1.715	3998	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:1:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CHHO)(NH3)(H)2	N(CCHH)(H)3	H(CCHN)	C(CHHO)(NH3)(H)2	N(CCHH)(H)3	H(CCHN)	109.2625	0.547	134	109.2625	0.300	134	108.9964	1.728	3842	108.9864	1.715	3998	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:1:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CHHP)(NH3)(H)2	N(CCHH)(H)3	H(CCHN)	C(CHHP)(NH3)(H)2	N(CCHH)(H)3	H(CCHN)	108.9137	0.186	4	108.9137	0.034	4	108.9964	1.728	3842	108.9864	1.715	3998	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:1:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CHHS)(NH3)(H)2	N(CCHH)(H)3	H(CCHN)	C(CHHS)(NH3)(H)2	N(CCHH)(H)3	H(CCHN)	108.9261	1.216	84	108.9261	1.480	84	108.9964	1.728	3842	108.9864	1.715	3998	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:1:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CN[5,5]HH)(NH3)(H)2	N(CCHH)(H)3	H(CCHN)	C(CN[5,5]HH)(NH3)(H)2	N(CCHH)(H)3	H(CCHN)	109.4300	0.062	2	109.4300	0.004	2	108.9964	1.728	3842	108.9864	1.715	3998	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:1:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CN[5]HH)(NH3)(H)2	N(CCHH)(H)3	H(CCHN)	C(CN[5]HH)(NH3)(H)2	N(CCHH)(H)3	H(CCHN)	109.4210	0.317	5	109.4210	0.100	5	108.9964	1.728	3842	108.9864	1.715	3998	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:1:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CN[5a]HH)(NH3)(H)2	N(CCHH)(H)3	H(CCHN)	C(CN[5a]HH)(NH3)(H)2	N(CCHH)(H)3	H(CCHN)	107.9915	1.218	4	107.9915	1.485	4	108.9964	1.728	3842	108.9864	1.715	3998	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:1:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CN[6]HH)(NH3)(H)2	N(CCHH)(H)3	H(CCHN)	C(CN[6]HH)(NH3)(H)2	N(CCHH)(H)3	H(CCHN)	109.1147	2.042	69	109.1147	4.169	69	108.9964	1.728	3842	108.9864	1.715	3998	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:1:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:O-1:O-1:O-1:	C-4:	C(CC[6a]C[5]H)(NO3)(H)2	N(CCHH)(O)3	H(CCHN)	C(CC[6a]C[5]H)(NO3)(H)2	N(CCHH)(O)3	H(CCHN)	109.8090	0.000	1	109.8090	0.000	1	109.8090	0.000	1	108.9864	1.715	3998	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:1:1:1:	4:	C[3x6]-4:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[3x6]C[6,6]3)(NH3)(H)2	N(CC[3x6]HH)(H)3	H(CC[3x6]HN)	C(C[3x6]C[6,6]3)(NH3)(H)2	N(CC[3x6]HH)(H)3	H(CC[3x6]HN)	108.8058	0.033	4	108.8058	0.001	4	108.8058	0.001	4	108.9864	1.715	3998	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:1:1:1:	4:	C[5]-4:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]2Fe)(NH3)(H)2	N(CC[5]HH)(H)3	H(CC[5]HN)	C(C[5]C[5]2Fe)(NH3)(H)2	N(CC[5]HH)(H)3	H(CC[5]HN)	109.3357	0.220	6	109.3357	0.049	6	108.8565	0.766	10	108.9864	1.715	3998	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:1:1:1:	4:	C[5]-4:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]N[5]H)(NH3)(H)2	N(CC[5]HH)(H)3	H(CC[5]HN)	C(C[5]C[5]N[5]H)(NH3)(H)2	N(CC[5]HH)(H)3	H(CC[5]HN)	109.0175	0.015	2	109.0175	0.000	2	108.8565	0.766	10	108.9864	1.715	3998	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:1:1:1:	4:	C[5]-4:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[6a]C[5]N[5])(NH3)(H)2	N(CC[5]HH)(H)3	H(CC[5]HN)	C(C[5]C[6a]C[5]N[5])(NH3)(H)2	N(CC[5]HH)(H)3	H(CC[5]HN)	107.2580	0.330	2	107.2580	0.109	2	108.8565	0.766	10	108.9864	1.715	3998	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:1:1:1:	4:	C[6]-4:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6,6]C[6]C)(NH3)(H)2	N(CC[6]HH)(H)3	H(CC[6]HN)	C(C[6]C[6,6]C[6]C)(NH3)(H)2	N(CC[6]HH)(H)3	H(CC[6]HN)	108.5943	0.051	4	108.5943	0.003	4	108.9349	0.987	93	108.9864	1.715	3998	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:1:1:1:	4:	C[6]-4:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]2C)(NH3)(H)2	N(CC[6]HH)(H)3	H(CC[6]HN)	C(C[6]C[6]2C)(NH3)(H)2	N(CC[6]HH)(H)3	H(CC[6]HN)	108.2829	0.716	40	108.2829	0.513	40	108.9349	0.987	93	108.9864	1.715	3998	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:1:1:1:	4:	C[6]-4:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]2H)(NH3)(H)2	N(CC[6]HH)(H)3	H(CC[6]HN)	C(C[6]C[6]2H)(NH3)(H)2	N(CC[6]HH)(H)3	H(CC[6]HN)	109.5240	0.946	43	109.5240	0.895	43	108.9349	0.987	93	108.9864	1.715	3998	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:1:1:1:	4:	C[6]-4:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]2Ru)(NH3)(H)2	N(CC[6]HH)(H)3	H(CC[6]HN)	C(C[6]C[6]2Ru)(NH3)(H)2	N(CC[6]HH)(H)3	H(CC[6]HN)	109.1760	0.103	2	109.1760	0.011	2	108.9349	0.987	93	108.9864	1.715	3998	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:1:1:1:	4:	C[6]-4:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]N[6]H)(NH3)(H)2	N(CC[6]HH)(H)3	H(CC[6]HN)	C(C[6]C[6]N[6]H)(NH3)(H)2	N(CC[6]HH)(H)3	H(CC[6]HN)	109.3423	0.106	4	109.3423	0.011	4	108.9349	0.987	93	108.9864	1.715	3998	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:1:1:1:	4:	N-4:P-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NH3)(PO3)(H)2	N(CHHP)(H)3	H(CHNP)	C(NH3)(PO3)(H)2	N(CHHP)(H)3	H(CHNP)	107.7777	1.787	4	107.7777	3.192	4	107.7777	3.192	4	108.9864	1.715	3998	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:1:1:1:	4:	P-4:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PCCO)(NH3)(H)2	N(CHHP)(H)3	H(CHNP)	C(PCCO)(NH3)(H)2	N(CHHP)(H)3	H(CHNP)	108.8724	0.837	14	108.8724	0.701	14	108.2638	2.198	38	108.9864	1.715	3998	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:1:1:1:	4:	P-4:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PCOO)(NH3)(H)2	N(CHHP)(H)3	H(CHNP)	C(PCOO)(NH3)(H)2	N(CHHP)(H)3	H(CHNP)	107.9087	1.668	24	107.9087	2.782	24	108.2638	2.198	38	108.9864	1.715	3998	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:2:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(CHHN)(NCHH)(H)2	N(CCHH)(CC)(H)2	H(CCHN)	C(CHHN)(NCHH)(H)2	N(CCHH)(CC)(H)2	H(CCHN)	109.9865	0.090	2	109.9865	0.008	2	109.9865	0.008	2	109.3401	0.275	13	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:2:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CCHH)(NHHO)(H)2	N(CCHH)(OC)(H)2	H(CCHN)	C(CCHH)(NHHO)(H)2	N(CCHH)(OC)(H)2	H(CCHN)	109.4637	0.443	7	109.4637	0.196	7	109.2225	0.230	11	109.3401	0.275	13	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:2:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHN)(NHHO)(H)2	N(CCHH)(OC)(H)2	H(CCHN)	C(CHHN)(NHHO)(H)2	N(CCHH)(OC)(H)2	H(CCHN)	108.8005	0.035	4	108.8005	0.001	4	109.2225	0.230	11	109.3401	0.275	13	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:3:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CHHN)(NCHH)(H)2	N(CCHH)(CCH)(H)2	H(CCHN)	C(CHHN)(NCHH)(H)2	N(CCHH)(CCH)(H)2	H(CCHN)	105.1875	3.829	6	105.1875	14.659	6	105.1875	14.659	6	106.2262	14.170	8	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:N-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5]2H)(NCHH)(H)2	N(CC[5]HH)(CC[5a]O)(H)2	H(CC[5]HN)	C(C[5]C[5]2H)(NCHH)(H)2	N(CC[5]HH)(CC[5a]O)(H)2	H(CC[5]HN)	109.3425	0.028	2	109.3425	0.001	2	109.3425	0.001	2	106.2262	14.170	8	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:B-4:H-1:H-1:	C-4:	C(CCHH)(NBHH)(H)2	N(CCHH)(BH3)(H)2	H(CCHN)	C(CCHH)(NBHH)(H)2	N(CCHH)(BH3)(H)2	H(CCHN)	108.8500	0.064	2	108.8500	0.004	2	108.8580	0.002	4	108.9633	1.356	2801	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:B-4:H-1:H-1:	C-4:	C(CN[5]HH)(NBHH)(H)2	N(CCHH)(BH3)(H)2	H(CCHN)	C(CN[5]HH)(NBHH)(H)2	N(CCHH)(BH3)(H)2	H(CCHN)	108.8660	0.016	2	108.8660	0.000	2	108.8580	0.002	4	108.9633	1.356	2801	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CBrHH)(NCHH)(H)2	N(CCHH)(CH3)(H)2	H(CCHN)	C(CBrHH)(NCHH)(H)2	N(CCHH)(CH3)(H)2	H(CCHN)	108.8865	0.878	2	108.8865	0.770	2	108.9217	1.460	2242	108.9633	1.356	2801	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CBrHH)(NCHH)(H)2	N(CCHH)2(H)2	H(CCHN)	C(CBrHH)(NCHH)(H)2	N(CCHH)2(H)2	H(CCHN)	109.4935	0.454	16	109.4935	0.207	16	108.9217	1.460	2242	108.9633	1.356	2801	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCCH)(NCHH)(H)2	N(CCHH)2(H)2	H(CCHN)	C(CCCH)(NCHH)(H)2	N(CCHH)2(H)2	H(CCHN)	108.8100	0.187	22	108.8100	0.035	22	108.9217	1.460	2242	108.9633	1.356	2801	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCCN)(NCHH)(H)2	N(CCHH)2(H)2	H(CCHN)	C(CCCN)(NCHH)(H)2	N(CCHH)2(H)2	H(CCHN)	108.1712	1.128	16	108.1712	1.272	16	108.9217	1.460	2242	108.9633	1.356	2801	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCFH)(NCHH)(H)2	N(CCHH)2(H)2	H(CCHN)	C(CCFH)(NCHH)(H)2	N(CCHH)2(H)2	H(CCHN)	108.7260	0.088	3	108.7260	0.008	3	108.9217	1.460	2242	108.9633	1.356	2801	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCHH)(H)2	N(CCCH)(CCHH)(H)2	H(CCHN)	C(CCHH)(NCHH)(H)2	N(CCCH)(CCHH)(H)2	H(CCHN)	109.1272	1.128	16	109.1272	1.273	16	108.9217	1.460	2242	108.9633	1.356	2801	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCHH)(H)2	N(CCHH)(CC3)(H)2	H(CCHN)	C(CCHH)(NCHH)(H)2	N(CCHH)(CC3)(H)2	H(CCHN)	109.1580	0.000	1	109.1580	0.000	1	108.9217	1.460	2242	108.9633	1.356	2801	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCHH)(H)2	N(CCHH)(CH3)(H)2	H(CCHN)	C(CCHH)(NCHH)(H)2	N(CCHH)(CH3)(H)2	H(CCHN)	109.2906	0.310	47	109.2906	0.096	47	108.9217	1.460	2242	108.9633	1.356	2801	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCHH)(H)2	N(CCHH)(CHPP)(H)2	H(CCHN)	C(CCHH)(NCHH)(H)2	N(CCHH)(CHPP)(H)2	H(CCHN)	108.9563	0.806	6	108.9563	0.650	6	108.9217	1.460	2242	108.9633	1.356	2801	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCHH)(H)2	N(CCHH)2(H)2	H(CCHN)	C(CCHH)(NCHH)(H)2	N(CCHH)2(H)2	H(CCHN)	108.8443	1.145	391	108.8443	1.310	391	108.9217	1.460	2242	108.9633	1.356	2801	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCHH)(H)2	N(CC[5]HH)(CCHH)(H)2	H(CCHN)	C(CCHH)(NCHH)(H)2	N(CC[5]HH)(CCHH)(H)2	H(CCHN)	108.6685	0.647	2	108.6685	0.419	2	108.9217	1.460	2242	108.9633	1.356	2801	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCHH)(H)2	N(CC[6]HH)(CCHH)(H)2	H(CCHN)	C(CCHH)(NCHH)(H)2	N(CC[6]HH)(CCHH)(H)2	H(CCHN)	108.4267	0.626	6	108.4267	0.392	6	108.9217	1.460	2242	108.9633	1.356	2801	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCHH)(H)2	N(CC[6a]2H)(CCHH)(H)2	H(CCHN)	C(CCHH)(NCHH)(H)2	N(CC[6a]2H)(CCHH)(H)2	H(CCHN)	108.5985	0.015	2	108.5985	0.000	2	108.9217	1.460	2242	108.9633	1.356	2801	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCHH)(H)2	N(CC[6a]HH)(CCHH)(H)2	H(CCHN)	C(CCHH)(NCHH)(H)2	N(CC[6a]HH)(CCHH)(H)2	H(CCHN)	109.1264	0.867	89	109.1264	0.752	89	108.9217	1.460	2242	108.9633	1.356	2801	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCHH)(H)2	N(CC[6a]PtH)(CCHH)(H)2	H(CCHN)	C(CCHH)(NCHH)(H)2	N(CC[6a]PtH)(CCHH)(H)2	H(CCHN)	108.5270	0.008	2	108.5270	0.000	2	108.9217	1.460	2242	108.9633	1.356	2801	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHN)(NCHH)(H)2	N(CCCH)(CCHH)(H)2	H(CCHN)	C(CCHN)(NCHH)(H)2	N(CCCH)(CCHH)(H)2	H(CCHN)	108.3369	1.250	12	108.3369	1.562	12	108.9217	1.460	2242	108.9633	1.356	2801	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHN)(NCHH)(H)2	N(CCHH)(CC3)(H)2	H(CCHN)	C(CCHN)(NCHH)(H)2	N(CCHH)(CC3)(H)2	H(CCHN)	109.1426	0.029	5	109.1426	0.001	5	108.9217	1.460	2242	108.9633	1.356	2801	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHN)(NCHH)(H)2	N(CCHH)2(H)2	H(CCHN)	C(CCHN)(NCHH)(H)2	N(CCHH)2(H)2	H(CCHN)	108.4540	0.034	2	108.4540	0.001	2	108.9217	1.460	2242	108.9633	1.356	2801	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHO)(NCHH)(H)2	N(CCCH)(CCHH)(H)2	H(CCHN)	C(CCHO)(NCHH)(H)2	N(CCCH)(CCHH)(H)2	H(CCHN)	109.1667	0.494	13	109.1667	0.244	13	108.9217	1.460	2242	108.9633	1.356	2801	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHO)(NCHH)(H)2	N(CCHH)(CC3)(H)2	H(CCHN)	C(CCHO)(NCHH)(H)2	N(CCHH)(CC3)(H)2	H(CCHN)	109.4860	0.158	4	109.4860	0.025	4	108.9217	1.460	2242	108.9633	1.356	2801	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHO)(NCHH)(H)2	N(CCHH)(CH3)(H)2	H(CCHN)	C(CCHO)(NCHH)(H)2	N(CCHH)(CH3)(H)2	H(CCHN)	109.7780	0.020	2	109.7780	0.000	2	108.9217	1.460	2242	108.9633	1.356	2801	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHO)(NCHH)(H)2	N(CCHH)2(H)2	H(CCHN)	C(CCHO)(NCHH)(H)2	N(CCHH)2(H)2	H(CCHN)	108.7035	0.018	4	108.7035	0.000	4	108.9217	1.460	2242	108.9633	1.356	2801	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[4]HH)(NCHH)(H)2	N(CC[6a]HH)(CCHH)(H)2	H(CCHN)	C(CC[4]HH)(NCHH)(H)2	N(CC[6a]HH)(CCHH)(H)2	H(CCHN)	109.2550	0.025	2	109.2550	0.001	2	108.9217	1.460	2242	108.9633	1.356	2801	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(NCHH)(H)2	N(CCHH)2(H)2	H(CCHN)	C(CC[5]HH)(NCHH)(H)2	N(CCHH)2(H)2	H(CCHN)	109.6430	0.010	2	109.6430	0.000	2	108.9217	1.460	2242	108.9633	1.356	2801	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(NCHH)(H)2	N(CC[6a]CH)(CCHH)(H)2	H(CCHN)	C(CC[5]HH)(NCHH)(H)2	N(CC[6a]CH)(CCHH)(H)2	H(CCHN)	108.9640	0.011	2	108.9640	0.000	2	108.9217	1.460	2242	108.9633	1.356	2801	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(NCHH)(H)2	N(CCHH)(CH3)(H)2	H(CCHN)	C(CC[5a]HH)(NCHH)(H)2	N(CCHH)(CH3)(H)2	H(CCHN)	109.6005	0.012	2	109.6005	0.000	2	108.9217	1.460	2242	108.9633	1.356	2801	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(NCHH)(H)2	N(CCHH)2(H)2	H(CCHN)	C(CC[6]HH)(NCHH)(H)2	N(CCHH)2(H)2	H(CCHN)	109.4927	0.226	12	109.4927	0.051	12	108.9217	1.460	2242	108.9633	1.356	2801	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(NCHH)(H)2	N(CC[6a]HH)(CCHH)(H)2	H(CCHN)	C(CC[6]HH)(NCHH)(H)2	N(CC[6a]HH)(CCHH)(H)2	H(CCHN)	106.2505	0.060	2	106.2505	0.004	2	108.9217	1.460	2242	108.9633	1.356	2801	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6]HO)(NCHH)(H)2	N(CCHH)(CH3)(H)2	H(CCHN)	C(CC[6]HO)(NCHH)(H)2	N(CCHH)(CH3)(H)2	H(CCHN)	109.5385	0.028	2	109.5385	0.001	2	108.9217	1.460	2242	108.9633	1.356	2801	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6]HO)(NCHH)(H)2	N(CCHH)2(H)2	H(CCHN)	C(CC[6]HO)(NCHH)(H)2	N(CCHH)2(H)2	H(CCHN)	108.9188	0.105	4	108.9188	0.011	4	108.9217	1.460	2242	108.9633	1.356	2801	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6]HO)(NCHH)(H)2	N(CC[6a]HH)(CCHH)(H)2	H(CCHN)	C(CC[6]HO)(NCHH)(H)2	N(CC[6a]HH)(CCHH)(H)2	H(CCHN)	109.6183	0.508	6	109.6183	0.258	6	108.9217	1.460	2242	108.9633	1.356	2801	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]CO)(NCHH)(H)2	N(CC[6a]HH)(CCHH)(H)2	H(CCHN)	C(CC[6a]CO)(NCHH)(H)2	N(CC[6a]HH)(CCHH)(H)2	H(CCHN)	109.3360	0.004	2	109.3360	0.000	2	108.9217	1.460	2242	108.9633	1.356	2801	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(NCHH)(H)2	N(CCHH)(CC3)(H)2	H(CCHN)	C(CC[6a]HH)(NCHH)(H)2	N(CCHH)(CC3)(H)2	H(CCHN)	108.9230	0.049	2	108.9230	0.002	2	108.9217	1.460	2242	108.9633	1.356	2801	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(NCHH)(H)2	N(CCHH)(CH3)(H)2	H(CCHN)	C(CC[6a]HH)(NCHH)(H)2	N(CCHH)(CH3)(H)2	H(CCHN)	107.8110	1.159	4	107.8110	1.343	4	108.9217	1.460	2242	108.9633	1.356	2801	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(NCHH)(H)2	N(CCHH)2(H)2	H(CCHN)	C(CC[6a]HH)(NCHH)(H)2	N(CCHH)2(H)2	H(CCHN)	109.1405	0.039	2	109.1405	0.002	2	108.9217	1.460	2242	108.9633	1.356	2801	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(NCHH)(H)2	N(CC[6]HH)(CCHH)(H)2	H(CCHN)	C(CC[6a]HH)(NCHH)(H)2	N(CC[6]HH)(CCHH)(H)2	H(CCHN)	109.2100	0.358	6	109.2100	0.128	6	108.9217	1.460	2242	108.9633	1.356	2801	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(NCHH)(H)2	N(CC[6a]HH)(CCHH)(H)2	H(CCHN)	C(CC[6a]HH)(NCHH)(H)2	N(CC[6a]HH)(CCHH)(H)2	H(CCHN)	107.6963	2.097	4	107.6963	4.398	4	108.9217	1.460	2242	108.9633	1.356	2801	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HN)(NCHH)(H)2	N(CC[6a]CH)(CCHH)(H)2	H(CCHN)	C(CC[6a]HN)(NCHH)(H)2	N(CC[6a]CH)(CCHH)(H)2	H(CCHN)	108.8875	0.044	4	108.8875	0.002	4	108.9217	1.460	2242	108.9633	1.356	2801	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HO)(NCHH)(H)2	N(CCCH)(CCHH)(H)2	H(CCHN)	C(CC[6a]HO)(NCHH)(H)2	N(CCCH)(CCHH)(H)2	H(CCHN)	108.9705	0.455	13	108.9705	0.207	13	108.9217	1.460	2242	108.9633	1.356	2801	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HO)(NCHH)(H)2	N(CCHH)(CC3)(H)2	H(CCHN)	C(CC[6a]HO)(NCHH)(H)2	N(CCHH)(CC3)(H)2	H(CCHN)	108.9729	0.900	19	108.9729	0.810	19	108.9217	1.460	2242	108.9633	1.356	2801	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HO)(NCHH)(H)2	N(CCHH)(CH3)(H)2	H(CCHN)	C(CC[6a]HO)(NCHH)(H)2	N(CCHH)(CH3)(H)2	H(CCHN)	108.7692	1.493	19	108.7692	2.230	19	108.9217	1.460	2242	108.9633	1.356	2801	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CClHH)(NCHH)(H)2	N(CC[6a]HH)(CCHH)(H)2	H(CCHN)	C(CClHH)(NCHH)(H)2	N(CC[6a]HH)(CCHH)(H)2	H(CCHN)	109.6085	0.009	2	109.6085	0.000	2	108.9217	1.460	2242	108.9633	1.356	2801	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NCHH)(H)2	N(CCCH)(CCHH)(H)2	H(CCHN)	C(CHHN)(NCHH)(H)2	N(CCCH)(CCHH)(H)2	H(CCHN)	109.3955	0.332	66	109.3955	0.110	66	108.9217	1.460	2242	108.9633	1.356	2801	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NCHH)(H)2	N(CCHH)(CC3)(H)2	H(CCHN)	C(CHHN)(NCHH)(H)2	N(CCHH)(CC3)(H)2	H(CCHN)	108.9314	2.442	39	108.9314	5.962	39	108.9217	1.460	2242	108.9633	1.356	2801	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NCHH)(H)2	N(CCHH)(CH3)(H)2	H(CCHN)	C(CHHN)(NCHH)(H)2	N(CCHH)(CH3)(H)2	H(CCHN)	108.8709	1.245	84	108.8709	1.550	84	108.9217	1.460	2242	108.9633	1.356	2801	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NCHH)(H)2	N(CCHH)2(H)2	H(CCHN)	C(CHHN)(NCHH)(H)2	N(CCHH)2(H)2	H(CCHN)	108.6123	1.486	736	108.6123	2.207	736	108.9217	1.460	2242	108.9633	1.356	2801	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NCHH)(H)2	N(CC[5a]HH)(CCHH)(H)2	H(CCHN)	C(CHHN)(NCHH)(H)2	N(CC[5a]HH)(CCHH)(H)2	H(CCHN)	109.6171	0.367	12	109.6171	0.135	12	108.9217	1.460	2242	108.9633	1.356	2801	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NCHH)(H)2	N(CC[6]HH)(CCHH)(H)2	H(CCHN)	C(CHHN)(NCHH)(H)2	N(CC[6]HH)(CCHH)(H)2	H(CCHN)	109.7591	0.172	25	109.7591	0.030	25	108.9217	1.460	2242	108.9633	1.356	2801	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NCHH)(H)2	N(CC[6a]HH)(CCHH)(H)2	H(CCHN)	C(CHHN)(NCHH)(H)2	N(CC[6a]HH)(CCHH)(H)2	H(CCHN)	109.2526	0.841	349	109.2526	0.707	349	108.9217	1.460	2242	108.9633	1.356	2801	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CHHO)(NCHH)(H)2	N(CCCH)(CCHH)(H)2	H(CCHN)	C(CHHO)(NCHH)(H)2	N(CCCH)(CCHH)(H)2	H(CCHN)	109.4624	0.363	13	109.4624	0.132	13	108.9217	1.460	2242	108.9633	1.356	2801	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CHHO)(NCHH)(H)2	N(CCHH)(CC3)(H)2	H(CCHN)	C(CHHO)(NCHH)(H)2	N(CCHH)(CC3)(H)2	H(CCHN)	109.5801	0.090	8	109.5801	0.008	8	108.9217	1.460	2242	108.9633	1.356	2801	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CHHO)(NCHH)(H)2	N(CCHH)(CCHP)(H)2	H(CCHN)	C(CHHO)(NCHH)(H)2	N(CCHH)(CCHP)(H)2	H(CCHN)	109.5495	0.008	2	109.5495	0.000	2	108.9217	1.460	2242	108.9633	1.356	2801	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CHHO)(NCHH)(H)2	N(CCHH)2(H)2	H(CCHN)	C(CHHO)(NCHH)(H)2	N(CCHH)2(H)2	H(CCHN)	109.2033	0.731	83	109.2033	0.535	83	108.9217	1.460	2242	108.9633	1.356	2801	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CHHO)(NCHH)(H)2	N(CC[6a]HH)(CCHH)(H)2	H(CCHN)	C(CHHO)(NCHH)(H)2	N(CC[6a]HH)(CCHH)(H)2	H(CCHN)	109.4781	0.454	11	109.4781	0.206	11	108.9217	1.460	2242	108.9633	1.356	2801	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CHHO)(NCHH)(H)2	N(CC[6a]HP)(CCHH)(H)2	H(CCHN)	C(CHHO)(NCHH)(H)2	N(CC[6a]HP)(CCHH)(H)2	H(CCHN)	109.0192	1.422	4	109.0192	2.023	4	108.9217	1.460	2242	108.9633	1.356	2801	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CHHS)(NCHH)(H)2	N(CCHH)(CH3)(H)2	H(CCHN)	C(CHHS)(NCHH)(H)2	N(CCHH)(CH3)(H)2	H(CCHN)	109.2105	0.145	2	109.2105	0.021	2	108.9217	1.460	2242	108.9633	1.356	2801	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CHHS)(NCHH)(H)2	N(CCHH)2(H)2	H(CCHN)	C(CHHS)(NCHH)(H)2	N(CCHH)2(H)2	H(CCHN)	109.3833	0.180	16	109.3833	0.032	16	108.9217	1.460	2242	108.9633	1.356	2801	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CHHS)(NCHH)(H)2	N(CC[6a]HH)(CCHH)(H)2	H(CCHN)	C(CHHS)(NCHH)(H)2	N(CC[6a]HH)(CCHH)(H)2	H(CCHN)	109.3980	0.256	6	109.3980	0.066	6	108.9217	1.460	2242	108.9633	1.356	2801	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(NCHH)(H)2	N(CCHH)(CC3)(H)2	H(CCHN)	C(CN[5]HH)(NCHH)(H)2	N(CCHH)(CC3)(H)2	H(CCHN)	109.0750	0.004	2	109.0750	0.000	2	108.9217	1.460	2242	108.9633	1.356	2801	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(NCHH)(H)2	N(CC[6a]HH)(CCHH)(H)2	H(CCHN)	C(CN[5]HH)(NCHH)(H)2	N(CC[6a]HH)(CCHH)(H)2	H(CCHN)	109.4090	0.163	4	109.4090	0.027	4	108.9217	1.460	2242	108.9633	1.356	2801	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(NCHH)(H)2	N(CCHH)2(H)2	H(CCHN)	C(CN[5a]HH)(NCHH)(H)2	N(CCHH)2(H)2	H(CCHN)	106.6435	0.327	2	106.6435	0.107	2	108.9217	1.460	2242	108.9633	1.356	2801	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(NCHH)(H)2	N(CC[5a]HH)(CCHH)(H)2	H(CCHN)	C(CN[6]HH)(NCHH)(H)2	N(CC[5a]HH)(CCHH)(H)2	H(CCHN)	109.6935	0.103	2	109.6935	0.011	2	108.9217	1.460	2242	108.9633	1.356	2801	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CSiHH)(NCHH)(H)2	N(CCHH)2(H)2	H(CCHN)	C(CSiHH)(NCHH)(H)2	N(CCHH)2(H)2	H(CCHN)	109.1065	0.012	2	109.1065	0.000	2	108.9217	1.460	2242	108.9633	1.356	2801	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHO)(NHHN)(H)2	N(CCHH)(NH3)(H)2	H(CCHN)	C(CHHO)(NHHN)(H)2	N(CCHH)(NH3)(H)2	H(CCHN)	107.9895	1.705	2	107.9895	2.906	2	107.9895	2.906	2	108.9633	1.356	2801	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	Ga-4:C-4:H-1:H-1:	C-4:	C(CN[6,6]HH)(NGaHH)(H)2	N(GaCl3)(CCHH)(H)2	H(CCHN)	C(CN[6,6]HH)(NGaHH)(H)2	N(GaCl3)(CCHH)(H)2	H(CCHN)	109.7295	0.023	2	109.7295	0.001	2	109.7295	0.001	2	108.9633	1.356	2801	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(NCHH)(H)2	N(CC[6a]HH)(CC[5]HH)(H)2	H(CC[5]HN)	C(C[5]C[5,6]C[5]H)(NCHH)(H)2	N(CC[6a]HH)(CC[5]HH)(H)2	H(CC[5]HN)	108.4270	0.203	4	108.4270	0.041	4	109.0761	0.205	97	108.9633	1.356	2801	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2Fe)(NCHH)(H)2	N(CC[5]HH)(CCCH)(H)2	H(CC[5]HN)	C(C[5]C[5]2Fe)(NCHH)(H)2	N(CC[5]HH)(CCCH)(H)2	H(CC[5]HN)	109.4040	0.000	1	109.4040	0.000	1	109.0761	0.205	97	108.9633	1.356	2801	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2Fe)(NCHH)(H)2	N(CC[5]HH)(CCHH)(H)2	H(CC[5]HN)	C(C[5]C[5]2Fe)(NCHH)(H)2	N(CC[5]HH)(CCHH)(H)2	H(CC[5]HN)	109.7495	0.008	2	109.7495	0.000	2	109.0761	0.205	97	108.9633	1.356	2801	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2Fe)(NCHH)(H)2	N(CC[5]HH)(CH3)(H)2	H(CC[5]HN)	C(C[5]C[5]2Fe)(NCHH)(H)2	N(CC[5]HH)(CH3)(H)2	H(CC[5]HN)	108.6826	0.190	25	108.6826	0.036	25	109.0761	0.205	97	108.9633	1.356	2801	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2Fe)(NCHH)(H)2	N(CC[6a]HH)(CC[5]HH)(H)2	H(CC[5]HN)	C(C[5]C[5]2Fe)(NCHH)(H)2	N(CC[6a]HH)(CC[5]HH)(H)2	H(CC[5]HN)	109.2416	0.402	65	109.2416	0.162	65	109.0761	0.205	97	108.9633	1.356	2801	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6,6]C[3x6]C[6,6]H)(NCHH)(H)2	N(CC[6,6]HH)(CC[6a]CH)(H)2	H(CC[6,6]HN)	C(C[6,6]C[3x6]C[6,6]H)(NCHH)(H)2	N(CC[6,6]HH)(CC[6a]CH)(H)2	H(CC[6,6]HN)	109.1925	0.052	2	109.1925	0.003	2	109.1925	0.003	2	108.9633	1.356	2801	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2C)(NCHH)(H)2	N(CC[5a]HH)(CC[6]HH)(H)2	H(CC[6]HN)	C(C[6]C[6]2C)(NCHH)(H)2	N(CC[5a]HH)(CC[6]HH)(H)2	H(CC[6]HN)	108.5145	0.039	2	108.5145	0.002	2	108.9001	0.624	8	108.9633	1.356	2801	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2H)(NCHH)(H)2	N(CC[6a]HH)(CC[6]HH)(H)2	H(CC[6]HN)	C(C[6]C[6]2H)(NCHH)(H)2	N(CC[6a]HH)(CC[6]HH)(H)2	H(CC[6]HN)	107.9535	0.412	2	107.9535	0.170	2	108.9001	0.624	8	108.9633	1.356	2801	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]O[6]O)(NCHH)(H)2	N(CC[6]HH)(CC3)(H)2	H(CC[6]HN)	C(C[6]C[6]O[6]O)(NCHH)(H)2	N(CC[6]HH)(CC3)(H)2	H(CC[6]HN)	109.5662	0.334	4	109.5662	0.112	4	108.9001	0.624	8	108.9633	1.356	2801	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]O[6]O)(NC[5]HH)(H)2	N(C[5]C[5]2C)(CC[6]HH)(H)2	H(CC[6]HN)	C(C[6]C[6]O[6]O)(NC[5]HH)(H)2	N(C[5]C[5]2C)(CC[6]HH)(H)2	H(CC[6]HN)	109.6890	0.000	1	109.6890	0.000	1	109.6890	0.000	1	108.9633	1.356	2801	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	B-4:C-4:H-1:H-1:	C-4:	C(NBHH)(CH3)(H)2	N(BHHN)(CCHH)(H)2	H(CCHN)	C(NBHH)(CH3)(H)2	N(BHHN)(CCHH)(H)2	H(CCHN)	108.6330	0.027	2	108.6330	0.001	2	108.6330	0.001	2	108.9633	1.356	2801	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NCHH)(CC3)(H)2	N(CCCH)(CCHH)(H)2	H(CCHN)	C(NCHH)(CC3)(H)2	N(CCCH)(CCHH)(H)2	H(CCHN)	109.0280	0.011	2	109.0280	0.000	2	109.2157	1.054	336	108.9633	1.356	2801	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NCHH)(CC3)(H)2	N(CCHH)2(H)2	H(CCHN)	C(NCHH)(CC3)(H)2	N(CCHH)2(H)2	H(CCHN)	107.5701	1.123	7	107.5701	1.261	7	109.2157	1.054	336	108.9633	1.356	2801	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NCHH)(CC3)(H)2	N(CC[6a]HH)(CCHH)(H)2	H(CCHN)	C(NCHH)(CC3)(H)2	N(CC[6a]HH)(CCHH)(H)2	H(CCHN)	107.2770	0.564	2	107.2770	0.318	2	109.2157	1.054	336	108.9633	1.356	2801	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NCHH)(CH3)(H)2	N(CCCH)(CCHH)(H)2	H(CCHN)	C(NCHH)(CH3)(H)2	N(CCCH)(CCHH)(H)2	H(CCHN)	109.5122	0.059	4	109.5122	0.003	4	109.2157	1.054	336	108.9633	1.356	2801	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NCHH)(CH3)(H)2	N(CCHH)(CC3)(H)2	H(CCHN)	C(NCHH)(CH3)(H)2	N(CCHH)(CC3)(H)2	H(CCHN)	109.5070	0.010	2	109.5070	0.000	2	109.2157	1.054	336	108.9633	1.356	2801	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NCHH)(CH3)(H)2	N(CCHH)2(H)2	H(CCHN)	C(NCHH)(CH3)(H)2	N(CCHH)2(H)2	H(CCHN)	109.2629	1.005	309	109.2629	1.011	309	109.2157	1.054	336	108.9633	1.356	2801	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NCHH)(CH3)(H)2	N(CC[5]HH)(CCHH)(H)2	H(CCHN)	C(NCHH)(CH3)(H)2	N(CC[5]HH)(CCHH)(H)2	H(CCHN)	108.5750	1.129	4	108.5750	1.276	4	109.2157	1.054	336	108.9633	1.356	2801	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NCHH)(CH3)(H)2	N(CC[6a]2H)(CCHH)(H)2	H(CCHN)	C(NCHH)(CH3)(H)2	N(CC[6a]2H)(CCHH)(H)2	H(CCHN)	109.5835	0.027	4	109.5835	0.001	4	109.2157	1.054	336	108.9633	1.356	2801	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NCHH)(CH3)(H)2	N(CC[6a]HH)(CCHH)(H)2	H(CCHN)	C(NCHH)(CH3)(H)2	N(CC[6a]HH)(CCHH)(H)2	H(CCHN)	109.4690	0.013	2	109.4690	0.000	2	109.2157	1.054	336	108.9633	1.356	2801	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(NC[5]HH)(CHHN)(H)2	N(C[5]C[5]2H)(CCHH)(H)2	H(CCHN)	C(NC[5]HH)(CHHN)(H)2	N(C[5]C[5]2H)(CCHH)(H)2	H(CCHN)	109.8646	0.090	7	109.8646	0.008	7	109.8646	0.008	7	108.9633	1.356	2801	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(NC[6]HH)(CCHH)(H)2	N(C[6]C[6,6a]2C[6a])(CCHH)(H)2	H(CCHN)	C(NC[6]HH)(CCHH)(H)2	N(C[6]C[6,6a]2C[6a])(CCHH)(H)2	H(CCHN)	109.3780	0.008	2	109.3780	0.000	2	109.2157	0.193	42	108.9633	1.356	2801	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(NC[6]HH)(CCHH)(H)2	N(C[6]C[6]2H)(CCHH)(H)2	H(CCHN)	C(NC[6]HH)(CCHH)(H)2	N(C[6]C[6]2H)(CCHH)(H)2	H(CCHN)	109.2418	0.357	33	109.2418	0.127	33	109.2157	0.193	42	108.9633	1.356	2801	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(NC[6]HH)(CH3)(H)2	N(C[6]C[5a,6]C[6]H)(CCHH)(H)2	H(CCHN)	C(NC[6]HH)(CH3)(H)2	N(C[6]C[5a,6]C[6]H)(CCHH)(H)2	H(CCHN)	109.2660	0.033	2	109.2660	0.001	2	109.2157	0.193	42	108.9633	1.356	2801	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(NC[6]HH)(CHHN)(H)2	N(C[6]C[6]2H)(CCHH)(H)2	H(CCHN)	C(NC[6]HH)(CHHN)(H)2	N(C[6]C[6]2H)(CCHH)(H)2	H(CCHN)	108.3775	1.497	2	108.3775	2.241	2	109.2157	0.193	42	108.9633	1.356	2801	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(NC[6]HH)(CHHO)(H)2	N(C[6]C[6]2H)(CCHH)(H)2	H(CCHN)	C(NC[6]HH)(CHHO)(H)2	N(C[6]C[6]2H)(CCHH)(H)2	H(CCHN)	109.3447	0.189	3	109.3447	0.036	3	109.2157	0.193	42	108.9633	1.356	2801	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	In-4:C-4:H-1:H-1:	C-4:	C(NInHH)(CHHN)(H)2	N(InTe2N)(CCHH)(H)2	H(CCHN)	C(NInHH)(CHHN)(H)2	N(InTe2N)(CCHH)(H)2	H(CCHN)	108.7050	1.198	6	108.7050	1.434	6	108.7050	1.434	6	108.9633	1.356	2801	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:1:1:	4:	N-4:P-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NCHH)(PHOO)(H)2	N(CC[6a]HH)(CHHP)(H)2	H(CHNP)	C(NCHH)(PHOO)(H)2	N(CC[6a]HH)(CHHP)(H)2	H(CHNP)	109.1653	0.041	3	109.1653	0.002	3	108.5880	1.919	44	108.9633	1.356	2801	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:1:1:	4:	N-4:P-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NCHH)(PO3)(H)2	N(CCHH)(CHHP)(H)2	H(CHNP)	C(NCHH)(PO3)(H)2	N(CCHH)(CHHP)(H)2	H(CHNP)	108.1800	0.185	2	108.1800	0.034	2	108.5880	1.919	44	108.9633	1.356	2801	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:1:1:	4:	N-4:P-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NCHH)(PO3)(H)2	N(CHHP)2(H)2	H(CHNP)	C(NCHH)(PO3)(H)2	N(CHHP)2(H)2	H(CHNP)	108.5646	1.461	39	108.5646	2.134	39	108.5880	1.919	44	108.9633	1.356	2801	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:1:1:	4:	P-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]NiC)(NCHH)(H)2	N(CHHP)2(H)2	H(CHNP)	C(PC[6a]NiC)(NCHH)(H)2	N(CHHP)2(H)2	H(CHNP)	109.1257	0.276	4	109.1257	0.076	4	109.1257	0.076	4	108.9633	1.356	2801	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:1:1:	4:	P[6]-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(P[6]C[6]2Pd)(NCHH)(H)2	N(CC[6a]HH)(CP[6]HH)(H)2	H(CP[6]HN)	C(P[6]C[6]2Pd)(NCHH)(H)2	N(CC[6a]HH)(CP[6]HH)(H)2	H(CP[6]HN)	108.4355	0.040	2	108.4355	0.002	2	108.4355	0.002	2	108.9633	1.356	2801	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:2:1:	4:	C-4:N-4:H-1:H-1:	B-4:C-4:O-2:H-1:	C-4:	C(CBrHH)(NBHO)(H)2	N(BCHH)(CCHH)(OC)(H)	H(CCHN)	C(CBrHH)(NBHO)(H)2	N(BCHH)(CCHH)(OC)(H)	H(CCHN)	108.3435	0.036	2	108.3435	0.001	2	108.4286	0.010	5	108.7870	0.140	16	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:2:1:	4:	C-4:N-4:H-1:H-1:	B-4:C-4:O-2:H-1:	C-4:	C(CClHH)(NBHO)(H)2	N(BCHH)(CCHH)(OC)(H)	H(CCHN)	C(CClHH)(NBHO)(H)2	N(BCHH)(CCHH)(OC)(H)	H(CCHN)	108.4853	0.082	3	108.4853	0.007	3	108.4286	0.010	5	108.7870	0.140	16	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:2:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CHHN)(NCHO)(H)2	N(CCHH)(CH3)(OGa)(H)	H(CCHN)	C(CHHN)(NCHO)(H)2	N(CCHH)(CH3)(OGa)(H)	H(CCHN)	108.3365	0.022	2	108.3365	0.000	2	108.3365	0.000	2	108.7870	0.140	16	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:N-4:H-1:H-1:	C-4:B-4:O-2:H-1:	C-4:	C(C[6]C[5,6]O[6]H)(NBHO)(H)2	N(CC[6]HH)(BCHH)(OC)(H)	H(CC[6]HN)	C(C[6]C[5,6]O[6]H)(NBHO)(H)2	N(CC[6]HH)(BCHH)(OC)(H)	H(CC[6]HN)	109.1110	0.010	2	109.1110	0.000	2	109.1110	0.000	2	108.7870	0.140	16	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:2:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(NCHO)(CH3)(H)2	N(CCHH)2(OH)(H)	H(CCHN)	C(NCHO)(CH3)(H)2	N(CCHH)2(OH)(H)	H(CCHN)	109.0791	0.184	7	109.0791	0.034	7	109.0791	0.034	7	108.7870	0.140	16	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:2:2:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-2:C-2:	C-4:	C(CCHH)(NC3)(H)2	N(CCHH)2(CC)2	H(CCHN)	C(CCHH)(NC3)(H)2	N(CCHH)2(CC)2	H(CCHN)	108.4200	0.147	8	108.4200	0.022	8	108.4200	0.022	8	108.4200	0.022	8	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:2:4:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:Ge-2:C-4:	C-4:	C(NGeCC)(CHHN)(H)2	N(CCHH)2(GeCl)(CH3)	H(CCHN)	C(NGeCC)(CHHN)(H)2	N(CCHH)2(GeCl)(CH3)	H(CCHN)	109.3910	0.058	4	109.3910	0.003	4	109.3910	0.003	4	109.3910	0.003	4	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:3:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(NCCH)(CH3)(H)2	N(CCHH)2(CHH)(H)	H(CCHN)	C(NCCH)(CH3)(H)2	N(CCHH)2(CHH)(H)	H(CCHN)	107.3628	1.367	4	107.3628	1.868	4	108.4484	1.507	10	108.4484	1.507	10	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:3:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(NCCH)(CH3)(H)2	N(CCHH)2(CNO)(H)	H(CCHN)	C(NCCH)(CH3)(H)2	N(CCHH)2(CNO)(H)	H(CCHN)	109.1722	0.139	6	109.1722	0.019	6	108.4484	1.507	10	108.4484	1.507	10	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:3:3:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-3:C-3:	C-4:	C(CCHH)(NC3)(H)2	N(CCHH)2(CCH)2	H(CCHN)	C(CCHH)(NC3)(H)2	N(CCHH)2(CCH)2	H(CCHN)	107.7082	4.801	4	107.7082	23.052	4	108.1157	8.266	10	108.1157	8.266	10	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:3:3:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-3:C-3:	C-4:	C(CH3)(NC3)(H)2	N(CCHH)2(CCH)2	H(CCHN)	C(CH3)(NC3)(H)2	N(CCHH)2(CCH)2	H(CCHN)	108.4525	1.165	4	108.4525	1.357	4	108.1157	8.266	10	108.1157	8.266	10	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:3:3:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-3:C-3:	C-4:	C(CH3)(NC3)(H)2	N(CCHH)2(CHH)2	H(CCHN)	C(CH3)(NC3)(H)2	N(CCHH)2(CHH)2	H(CCHN)	108.2570	0.079	2	108.2570	0.006	2	108.1157	8.266	10	108.1157	8.266	10	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	B-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(BC[6a]2C)(NCCH)(H)2	N(CBHH)(CH3)2(H)	H(CBHN)	C(BC[6a]2C)(NCCH)(H)2	N(CBHH)(CH3)2(H)	H(CBHN)	108.5860	0.000	1	108.5860	0.000	1	108.5860	0.000	1	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	C-4:N-4:H-1:H-1:	C-4:B-4:C-4:H-1:	C-4:	C(CN[5]HH)(NBCH)(H)2	N(CCHH)(BH3)(CC3)(H)	H(CCHN)	C(CN[5]HH)(NBCH)(H)2	N(CCHH)(BH3)(CC3)(H)	H(CCHN)	109.1855	0.032	2	109.1855	0.001	2	109.1855	0.001	2	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:D-1:	C-4:	C(CCHH)(NCCD)(H)2	N(CCHH)3(D)	H(CCHN)	C(CCHH)(NCCD)(H)2	N(CCHH)3(D)	H(CCHN)	108.8225	0.146	6	108.8225	0.021	6	108.8225	0.021	6	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(NCCH)(H)2	N(CCHH)(CH3)2(H)	H(CCHN)	C(CCCH)(NCCH)(H)2	N(CCHH)(CH3)2(H)	H(CCHN)	108.5912	0.128	34	108.5912	0.016	34	108.7865	1.023	1815	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCO)(NCCH)(H)2	N(CCHH)3(H)	H(CCHN)	C(CCCO)(NCCH)(H)2	N(CCHH)3(H)	H(CCHN)	109.0980	0.024	2	109.0980	0.001	2	108.7865	1.023	1815	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCS)(NCCH)(H)2	N(CCHH)2(CH3)(H)	H(CCHN)	C(CCCS)(NCCH)(H)2	N(CCHH)2(CH3)(H)	H(CCHN)	107.0228	1.681	4	107.0228	2.827	4	108.7865	1.023	1815	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCHH)(NCCH)(H)2	N(CCCH)2(CCHH)(H)	H(CCHN)	C(CCHH)(NCCH)(H)2	N(CCCH)2(CCHH)(H)	H(CCHN)	108.6258	0.438	6	108.6258	0.191	6	108.7865	1.023	1815	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCHH)(NCCH)(H)2	N(CCHH)(CH3)2(H)	H(CCHN)	C(CCHH)(NCCH)(H)2	N(CCHH)(CH3)2(H)	H(CCHN)	108.5594	1.065	119	108.5594	1.134	119	108.7865	1.023	1815	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCHH)(NCCH)(H)2	N(CCHH)(CHHP)2(H)	H(CCHN)	C(CCHH)(NCCH)(H)2	N(CCHH)(CHHP)2(H)	H(CCHN)	108.6832	0.110	6	108.6832	0.012	6	108.7865	1.023	1815	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCHH)(NCCH)(H)2	N(CCHH)2(CH3)(H)	H(CCHN)	C(CCHH)(NCCH)(H)2	N(CCHH)2(CH3)(H)	H(CCHN)	108.7158	0.526	42	108.7158	0.277	42	108.7865	1.023	1815	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCHH)(NCCH)(H)2	N(CCHH)2(CHHN)(H)	H(CCHN)	C(CCHH)(NCCH)(H)2	N(CCHH)2(CHHN)(H)	H(CCHN)	108.6411	0.289	8	108.6411	0.084	8	108.7865	1.023	1815	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCHH)(NCCH)(H)2	N(CCHH)2(CHHP)(H)	H(CCHN)	C(CCHH)(NCCH)(H)2	N(CCHH)2(CHHP)(H)	H(CCHN)	108.9536	0.240	9	108.9536	0.057	9	108.7865	1.023	1815	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCHH)(NCCH)(H)2	N(CCHH)3(H)	H(CCHN)	C(CCHH)(NCCH)(H)2	N(CCHH)3(H)	H(CCHN)	108.6467	0.921	163	108.6467	0.848	163	108.7865	1.023	1815	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCHH)(NCCH)(H)2	N(CC[4]HH)(CCHH)(CH3)(H)	H(CCHN)	C(CCHH)(NCCH)(H)2	N(CC[4]HH)(CCHH)(CH3)(H)	H(CCHN)	109.1082	0.110	6	109.1082	0.012	6	108.7865	1.023	1815	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCHH)(NCCH)(H)2	N(CC[6a]CH)(CCCH)(CCHH)(H)	H(CCHN)	C(CCHH)(NCCH)(H)2	N(CC[6a]CH)(CCCH)(CCHH)(H)	H(CCHN)	107.7505	1.406	2	107.7505	1.978	2	108.7865	1.023	1815	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCHH)(NCCH)(H)2	N(CC[6a]HH)(CCHH)2(H)	H(CCHN)	C(CCHH)(NCCH)(H)2	N(CC[6a]HH)(CCHH)2(H)	H(CCHN)	108.8942	0.346	6	108.8942	0.119	6	108.7865	1.023	1815	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCHH)(NCCH)(H)2	N(CC[6a]HH)(CC[6]HH)(CCHH)(H)	H(CCHN)	C(CCHH)(NCCH)(H)2	N(CC[6a]HH)(CC[6]HH)(CCHH)(H)	H(CCHN)	108.3490	0.041	2	108.3490	0.002	2	108.7865	1.023	1815	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCHH)(NCCH)(H)2	N(CC[6a]HH)2(CCHH)(H)	H(CCHN)	C(CCHH)(NCCH)(H)2	N(CC[6a]HH)2(CCHH)(H)	H(CCHN)	108.9927	0.438	16	108.9927	0.192	16	108.7865	1.023	1815	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCHN)(NCCH)(H)2	N(CCHH)(CH3)2(H)	H(CCHN)	C(CCHN)(NCCH)(H)2	N(CCHH)(CH3)2(H)	H(CCHN)	108.8512	0.544	6	108.8512	0.296	6	108.7865	1.023	1815	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCHN)(NCCH)(H)2	N(CCHH)2(CH3)(H)	H(CCHN)	C(CCHN)(NCCH)(H)2	N(CCHH)2(CH3)(H)	H(CCHN)	108.8743	0.704	4	108.8743	0.495	4	108.7865	1.023	1815	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCHO)(NCCH)(H)2	N(CCHH)(CH3)2(H)	H(CCHN)	C(CCHO)(NCCH)(H)2	N(CCHH)(CH3)2(H)	H(CCHN)	108.9748	0.168	4	108.9748	0.028	4	108.7865	1.023	1815	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCHO)(NCCH)(H)2	N(CCHH)2(CC3)(H)	H(CCHN)	C(CCHO)(NCCH)(H)2	N(CCHH)2(CC3)(H)	H(CCHN)	109.2320	0.000	1	109.2320	0.000	1	108.7865	1.023	1815	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCHO)(NCCH)(H)2	N(CC[6a]2H)(CCHH)2(H)	H(CCHN)	C(CCHO)(NCCH)(H)2	N(CC[6a]2H)(CCHH)2(H)	H(CCHN)	108.2135	1.542	2	108.2135	2.378	2	108.7865	1.023	1815	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CC[5]CO)(NCCH)(H)2	N(CCHH)(CH3)2(H)	H(CCHN)	C(CC[5]CO)(NCCH)(H)2	N(CCHH)(CH3)2(H)	H(CCHN)	107.2350	0.849	4	107.2350	0.721	4	108.7865	1.023	1815	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CC[5a]HH)(NCCH)(H)2	N(CCHH)(CH3)2(H)	H(CCHN)	C(CC[5a]HH)(NCCH)(H)2	N(CCHH)(CH3)2(H)	H(CCHN)	108.9484	0.189	17	108.9484	0.036	17	108.7865	1.023	1815	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CC[5a]HH)(NCCH)(H)2	N(CCHH)2(CH3)(H)	H(CCHN)	C(CC[5a]HH)(NCCH)(H)2	N(CCHH)2(CH3)(H)	H(CCHN)	108.8660	0.210	4	108.8660	0.044	4	108.7865	1.023	1815	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CC[5a]HH)(NCCH)(H)2	N(CCHH)3(H)	H(CCHN)	C(CC[5a]HH)(NCCH)(H)2	N(CCHH)3(H)	H(CCHN)	108.7588	0.154	6	108.7588	0.024	6	108.7865	1.023	1815	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CC[6]HH)(NCCH)(H)2	N(CC[6]HH)(CCHH)(CH3)(H)	H(CCHN)	C(CC[6]HH)(NCCH)(H)2	N(CC[6]HH)(CCHH)(CH3)(H)	H(CCHN)	109.3910	0.475	3	109.3910	0.225	3	108.7865	1.023	1815	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CC[6a]CC)(NCCH)(H)2	N(CCHH)2(CH3)(H)	H(CCHN)	C(CC[6a]CC)(NCCH)(H)2	N(CCHH)2(CH3)(H)	H(CCHN)	107.3865	0.438	4	107.3865	0.191	4	108.7865	1.023	1815	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(NCCH)(H)2	N(CC[6a]HH)2(CCHH)(H)	H(CCHN)	C(CC[6a]CH)(NCCH)(H)2	N(CC[6a]HH)2(CCHH)(H)	H(CCHN)	107.4365	0.071	2	107.4365	0.005	2	108.7865	1.023	1815	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CC[6a]C[6]H)(NCCH)(H)2	N(CCHH)(CH3)2(H)	H(CCHN)	C(CC[6a]C[6]H)(NCCH)(H)2	N(CCHH)(CH3)2(H)	H(CCHN)	108.4489	0.551	11	108.4489	0.304	11	108.7865	1.023	1815	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CC[6a]HH)(NCCH)(H)2	N(CCHH)(CH3)2(H)	H(CCHN)	C(CC[6a]HH)(NCCH)(H)2	N(CCHH)(CH3)2(H)	H(CCHN)	109.0955	0.115	2	109.0955	0.013	2	108.7865	1.023	1815	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CC[6a]HH)(NCCH)(H)2	N(CCHH)3(H)	H(CCHN)	C(CC[6a]HH)(NCCH)(H)2	N(CCHH)3(H)	H(CCHN)	108.7095	0.018	2	108.7095	0.000	2	108.7865	1.023	1815	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CC[6a]HH)(NCCH)(H)2	N(CC[6]HH)(CCHH)(CH3)(H)	H(CCHN)	C(CC[6a]HH)(NCCH)(H)2	N(CC[6]HH)(CCHH)(CH3)(H)	H(CCHN)	105.1190	0.518	2	105.1190	0.268	2	108.7865	1.023	1815	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CClHH)(NCCH)(H)2	N(CCCH)2(CCHH)(H)	H(CCHN)	C(CClHH)(NCCH)(H)2	N(CCCH)2(CCHH)(H)	H(CCHN)	109.3345	0.016	2	109.3345	0.000	2	108.7865	1.023	1815	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCuCH)(NCCH)(H)2	N(CC[6a]HH)(CCHH)2(H)	H(CCHN)	C(CCuCH)(NCCH)(H)2	N(CC[6a]HH)(CCHH)2(H)	H(CCHN)	108.9265	0.062	2	108.9265	0.004	2	108.7865	1.023	1815	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CFHH)(NCCH)(H)2	N(CCHH)(CH3)2(H)	H(CCHN)	C(CFHH)(NCCH)(H)2	N(CCHH)(CH3)2(H)	H(CCHN)	108.9455	0.316	4	108.9455	0.100	4	108.7865	1.023	1815	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CHHN)(NCCH)(H)2	N(CCCH)(CCHH)(CH3)(H)	H(CCHN)	C(CHHN)(NCCH)(H)2	N(CCCH)(CCHH)(CH3)(H)	H(CCHN)	109.5720	0.049	2	109.5720	0.002	2	108.7865	1.023	1815	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CHHN)(NCCH)(H)2	N(CCCH)(CCHH)2(H)	H(CCHN)	C(CHHN)(NCCH)(H)2	N(CCCH)(CCHH)2(H)	H(CCHN)	109.5088	0.153	4	109.5088	0.024	4	108.7865	1.023	1815	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CHHN)(NCCH)(H)2	N(CCCH)2(CCHH)(H)	H(CCHN)	C(CHHN)(NCCH)(H)2	N(CCCH)2(CCHH)(H)	H(CCHN)	108.5227	0.793	14	108.5227	0.628	14	108.7865	1.023	1815	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CHHN)(NCCH)(H)2	N(CCHH)(CH3)2(H)	H(CCHN)	C(CHHN)(NCCH)(H)2	N(CCHH)(CH3)2(H)	H(CCHN)	108.8324	0.991	189	108.8324	0.981	189	108.7865	1.023	1815	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CHHN)(NCCH)(H)2	N(CCHH)(CHHP)(CH3)(H)	H(CCHN)	C(CHHN)(NCCH)(H)2	N(CCHH)(CHHP)(CH3)(H)	H(CCHN)	109.6600	0.020	2	109.6600	0.000	2	108.7865	1.023	1815	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CHHN)(NCCH)(H)2	N(CCHH)(CHHP)2(H)	H(CCHN)	C(CHHN)(NCCH)(H)2	N(CCHH)(CHHP)2(H)	H(CCHN)	109.0460	0.000	1	109.0460	0.000	1	108.7865	1.023	1815	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CHHN)(NCCH)(H)2	N(CCHH)2(CC3)(H)	H(CCHN)	C(CHHN)(NCCH)(H)2	N(CCHH)2(CC3)(H)	H(CCHN)	109.5475	0.039	2	109.5475	0.002	2	108.7865	1.023	1815	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CHHN)(NCCH)(H)2	N(CCHH)2(CH3)(H)	H(CCHN)	C(CHHN)(NCCH)(H)2	N(CCHH)2(CH3)(H)	H(CCHN)	108.1828	1.936	83	108.1828	3.746	83	108.7865	1.023	1815	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CHHN)(NCCH)(H)2	N(CCHH)2(CHHP)(H)	H(CCHN)	C(CHHN)(NCCH)(H)2	N(CCHH)2(CHHP)(H)	H(CCHN)	107.0855	2.254	52	107.0855	5.082	52	108.7865	1.023	1815	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CHHN)(NCCH)(H)2	N(CCHH)3(H)	H(CCHN)	C(CHHN)(NCCH)(H)2	N(CCHH)3(H)	H(CCHN)	108.8602	0.677	379	108.8602	0.458	379	108.7865	1.023	1815	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CHHN)(NCCH)(H)2	N(CC[6]HH)(CCHH)(CH3)(H)	H(CCHN)	C(CHHN)(NCCH)(H)2	N(CC[6]HH)(CCHH)(CH3)(H)	H(CCHN)	109.0987	0.063	3	109.0987	0.004	3	108.7865	1.023	1815	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CHHN)(NCCH)(H)2	N(CC[6]HH)(CCHH)2(H)	H(CCHN)	C(CHHN)(NCCH)(H)2	N(CC[6]HH)(CCHH)2(H)	H(CCHN)	109.1624	0.204	9	109.1624	0.041	9	108.7865	1.023	1815	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CHHN)(NCCH)(H)2	N(CC[6a]HH)(CCHH)(CH3)(H)	H(CCHN)	C(CHHN)(NCCH)(H)2	N(CC[6a]HH)(CCHH)(CH3)(H)	H(CCHN)	108.0394	1.775	8	108.0394	3.149	8	108.7865	1.023	1815	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CHHN)(NCCH)(H)2	N(CC[6a]HH)(CCHH)2(H)	H(CCHN)	C(CHHN)(NCCH)(H)2	N(CC[6a]HH)(CCHH)2(H)	H(CCHN)	108.9243	1.225	22	108.9243	1.502	22	108.7865	1.023	1815	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CHHN)(NCCH)(H)2	N(CC[6a]HH)2(CCHH)(H)	H(CCHN)	C(CHHN)(NCCH)(H)2	N(CC[6a]HH)2(CCHH)(H)	H(CCHN)	108.8400	1.207	24	108.8400	1.457	24	108.7865	1.023	1815	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CHHO)(NCCH)(H)2	N(CCCH)2(CCHH)(H)	H(CCHN)	C(CHHO)(NCCH)(H)2	N(CCCH)2(CCHH)(H)	H(CCHN)	108.9280	0.030	2	108.9280	0.001	2	108.7865	1.023	1815	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CHHO)(NCCH)(H)2	N(CCHH)(CH3)2(H)	H(CCHN)	C(CHHO)(NCCH)(H)2	N(CCHH)(CH3)2(H)	H(CCHN)	109.0192	0.353	55	109.0192	0.124	55	108.7865	1.023	1815	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CHHO)(NCCH)(H)2	N(CCHH)(CHHP)2(H)	H(CCHN)	C(CHHO)(NCCH)(H)2	N(CCHH)(CHHP)2(H)	H(CCHN)	108.5220	0.157	4	108.5220	0.025	4	108.7865	1.023	1815	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CHHO)(NCCH)(H)2	N(CCHH)2(CC3)(H)	H(CCHN)	C(CHHO)(NCCH)(H)2	N(CCHH)2(CC3)(H)	H(CCHN)	109.2715	0.351	4	109.2715	0.123	4	108.7865	1.023	1815	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CHHO)(NCCH)(H)2	N(CCHH)2(CHHP)(H)	H(CCHN)	C(CHHO)(NCCH)(H)2	N(CCHH)2(CHHP)(H)	H(CCHN)	108.8575	0.128	8	108.8575	0.016	8	108.7865	1.023	1815	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CHHO)(NCCH)(H)2	N(CCHH)3(H)	H(CCHN)	C(CHHO)(NCCH)(H)2	N(CCHH)3(H)	H(CCHN)	109.1730	0.640	350	109.1730	0.410	350	108.7865	1.023	1815	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CHHO)(NCCH)(H)2	N(CC[6]HH)(CCHH)2(H)	H(CCHN)	C(CHHO)(NCCH)(H)2	N(CC[6]HH)(CCHH)2(H)	H(CCHN)	108.7326	0.102	7	108.7326	0.010	7	108.7865	1.023	1815	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CHHO)(NCCH)(H)2	N(CC[6a]HH)(CCHH)2(H)	H(CCHN)	C(CHHO)(NCCH)(H)2	N(CC[6a]HH)(CCHH)2(H)	H(CCHN)	109.0941	0.792	39	109.0941	0.627	39	108.7865	1.023	1815	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CHHS)(NCCH)(H)2	N(CCCH)2(CCHH)(H)	H(CCHN)	C(CHHS)(NCCH)(H)2	N(CCCH)2(CCHH)(H)	H(CCHN)	109.4377	0.127	4	109.4377	0.016	4	108.7865	1.023	1815	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CHHS)(NCCH)(H)2	N(CCHH)2(CHHP)(H)	H(CCHN)	C(CHHS)(NCCH)(H)2	N(CCHH)2(CHHP)(H)	H(CCHN)	109.1945	0.018	2	109.1945	0.000	2	108.7865	1.023	1815	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CHHS)(NCCH)(H)2	N(CCHH)3(H)	H(CCHN)	C(CHHS)(NCCH)(H)2	N(CCHH)3(H)	H(CCHN)	109.2121	0.372	19	109.2121	0.138	19	108.7865	1.023	1815	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CHHS)(NCCH)(H)2	N(CC[6a]HH)(CCHH)2(H)	H(CCHN)	C(CHHS)(NCCH)(H)2	N(CC[6a]HH)(CCHH)2(H)	H(CCHN)	109.0088	0.120	8	109.0088	0.015	8	108.7865	1.023	1815	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CN[5]HH)(NCCH)(H)2	N(CCHH)3(H)	H(CCHN)	C(CN[5]HH)(NCCH)(H)2	N(CCHH)3(H)	H(CCHN)	108.5505	0.032	2	108.5505	0.001	2	108.7865	1.023	1815	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CN[5a]HH)(NCCH)(H)2	N(CCHH)(CH3)2(H)	H(CCHN)	C(CN[5a]HH)(NCCH)(H)2	N(CCHH)(CH3)2(H)	H(CCHN)	108.6935	0.029	2	108.6935	0.001	2	108.7865	1.023	1815	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CN[5a]HH)(NCCH)(H)2	N(CCHH)3(H)	H(CCHN)	C(CN[5a]HH)(NCCH)(H)2	N(CCHH)3(H)	H(CCHN)	109.2270	0.017	2	109.2270	0.000	2	108.7865	1.023	1815	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CN[6]HH)(NCCH)(H)2	N(CCHH)(CH3)2(H)	H(CCHN)	C(CN[6]HH)(NCCH)(H)2	N(CCHH)(CH3)2(H)	H(CCHN)	109.6090	0.008	2	109.6090	0.000	2	108.7865	1.023	1815	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CN[6]HH)(NCCH)(H)2	N(CCHH)3(H)	H(CCHN)	C(CN[6]HH)(NCCH)(H)2	N(CCHH)3(H)	H(CCHN)	109.2310	0.007	2	109.2310	0.000	2	108.7865	1.023	1815	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CN[6a]HH)(NCCH)(H)2	N(CCHH)(CH3)2(H)	H(CCHN)	C(CN[6a]HH)(NCCH)(H)2	N(CCHH)(CH3)2(H)	H(CCHN)	108.4815	0.005	2	108.4815	0.000	2	108.7865	1.023	1815	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:O-1:	C-4:	C(CHHN)(NCCO)(H)2	N(CCHH)(CH3)2(O)	H(CCHN)	C(CHHN)(NCCO)(H)2	N(CCHH)(CH3)2(O)	H(CCHN)	109.0170	0.021	2	109.0170	0.000	2	108.5760	0.163	5	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:O-1:	C-4:	C(CHHO)(NCCO)(H)2	N(CCHH)3(O)	H(CCHN)	C(CHHO)(NCCO)(H)2	N(CCHH)3(O)	H(CCHN)	108.2820	0.027	3	108.2820	0.001	3	108.5760	0.163	5	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	C[3]-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[3]C[3,5]2H)(NCCH)(H)2	N(CC[6a]CH)(CC[6a]HH)(CC[3]HH)(H)	H(CC[3]HN)	C(C[3]C[3,5]2H)(NCCH)(H)2	N(CC[6a]CH)(CC[6a]HH)(CC[3]HH)(H)	H(CC[3]HN)	108.7620	0.051	2	108.7620	0.003	2	108.7620	0.003	2	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	C[4]-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[4]C[4,6a]C[4]H)(NCCH)(H)2	N(CC[4]HH)(CCHH)(CH3)(H)	H(CC[4]HN)	C(C[4]C[4,6a]C[4]H)(NCCH)(H)2	N(CC[4]HH)(CCHH)(CH3)(H)	H(CC[4]HN)	108.4331	0.227	8	108.4331	0.051	8	108.4331	0.051	8	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[5]C[5]2Fe)(NCCH)(H)2	N(CC[5]HH)(CCCH)2(H)	H(CC[5]HN)	C(C[5]C[5]2Fe)(NCCH)(H)2	N(CC[5]HH)(CCCH)2(H)	H(CC[5]HN)	109.3400	0.000	1	109.3400	0.000	1	108.6322	1.239	25	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[5]C[5]2Fe)(NCCH)(H)2	N(CC[5]HH)(CCHH)2(H)	H(CC[5]HN)	C(C[5]C[5]2Fe)(NCCH)(H)2	N(CC[5]HH)(CCHH)2(H)	H(CC[5]HN)	109.3605	0.025	2	109.3605	0.001	2	108.6322	1.239	25	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[5]C[5]2Fe)(NCCH)(H)2	N(CC[5]HH)(CH3)2(H)	H(CC[5]HN)	C(C[5]C[5]2Fe)(NCCH)(H)2	N(CC[5]HH)(CH3)2(H)	H(CC[5]HN)	108.4518	1.266	18	108.4518	1.604	18	108.6322	1.239	25	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(NCCH)(H)2	N(CC[5]HH)(CH3)2(H)	H(CC[5]HN)	C(C[5]C[5]2H)(NCCH)(H)2	N(CC[5]HH)(CH3)2(H)	H(CC[5]HN)	108.9027	0.080	4	108.9027	0.006	4	108.6322	1.239	25	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6]C[5,6]C[6]H)(NCCH)(H)2	N(CC[6]HH)(CCHH)(CH3)(H)	H(CC[6]HN)	C(C[6]C[5,6]C[6]H)(NCCH)(H)2	N(CC[6]HH)(CCHH)(CH3)(H)	H(CC[6]HN)	105.5685	1.817	2	105.5685	3.300	2	107.9226	1.944	21	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6]C[6,6]C[6]C)(NCCH)(H)2	N(CC[6]HH)(CH3)2(H)	H(CC[6]HN)	C(C[6]C[6,6]C[6]C)(NCCH)(H)2	N(CC[6]HH)(CH3)2(H)	H(CC[6]HN)	108.8440	0.038	2	108.8440	0.001	2	107.9226	1.944	21	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6]C[6]2H)(NCCH)(H)2	N(CC[6]HH)(CCHH)(CH3)(H)	H(CC[6]HN)	C(C[6]C[6]2H)(NCCH)(H)2	N(CC[6]HH)(CCHH)(CH3)(H)	H(CC[6]HN)	108.0633	0.271	3	108.0633	0.074	3	107.9226	1.944	21	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6]C[6]2H)(NCCH)(H)2	N(CC[6]HH)(CH3)2(H)	H(CC[6]HN)	C(C[6]C[6]2H)(NCCH)(H)2	N(CC[6]HH)(CH3)2(H)	H(CC[6]HN)	107.8237	1.472	10	107.8237	2.166	10	107.9226	1.944	21	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6]C[6]N[6]H)(NCCH)(H)2	N(CC[6]HH)(CCHH)(CH3)(H)	H(CC[6]HN)	C(C[6]C[6]N[6]H)(NCCH)(H)2	N(CC[6]HH)(CCHH)(CH3)(H)	H(CC[6]HN)	108.9035	0.022	2	108.9035	0.000	2	107.9226	1.944	21	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6]C[6]N[6]H)(NCCH)(H)2	N(CC[6]HH)(CH3)2(H)	H(CC[6]HN)	C(C[6]C[6]N[6]H)(NCCH)(H)2	N(CC[6]HH)(CH3)2(H)	H(CC[6]HN)	108.6575	0.011	2	108.6575	0.000	2	107.9226	1.944	21	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	Ga-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(GaClCC)(NCCH)(H)2	N(CGaHH)(CCCH)2(H)	H(CGaHN)	C(GaClCC)(NCCH)(H)2	N(CGaHH)(CCCH)2(H)	H(CGaHN)	108.1145	0.059	2	108.1145	0.003	2	108.1145	0.003	2	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:D-1:	C-4:	C(NCCD)(CH3)(H)2	N(CCHH)2(CH3)(D)	H(CCHN)	C(NCCD)(CH3)(H)2	N(CCHH)2(CH3)(D)	H(CCHN)	108.7340	0.078	4	108.7340	0.006	4	108.7340	0.006	4	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:Ge-1:	C-4:	C(NGeCC)(CHHN)(H)2	N(CCHH)2(CH3)(Ge)	H(CCHN)	C(NGeCC)(CHHN)(H)2	N(CCHH)2(CH3)(Ge)	H(CCHN)	109.6485	0.046	4	109.6485	0.002	4	109.6485	0.002	4	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(NCCH)(CC3)(H)2	N(CCHH)(CH3)2(H)	H(CCHN)	C(NCCH)(CC3)(H)2	N(CCHH)(CH3)2(H)	H(CCHN)	108.8870	0.101	3	108.8870	0.010	3	108.6573	1.031	1732	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(NCCH)(CC3)(H)2	N(CC[6a]HH)(CCHH)2(H)	H(CCHN)	C(NCCH)(CC3)(H)2	N(CC[6a]HH)(CCHH)2(H)	H(CCHN)	108.6590	0.030	2	108.6590	0.001	2	108.6573	1.031	1732	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(NCCH)(CC3)(H)2	N(CC[6a]HH)2(CCHH)(H)	H(CCHN)	C(NCCH)(CC3)(H)2	N(CC[6a]HH)2(CCHH)(H)	H(CCHN)	108.1800	0.008	2	108.1800	0.000	2	108.6573	1.031	1732	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(NCCH)(CF3)(H)2	N(CCHH)3(H)	H(CCHN)	C(NCCH)(CF3)(H)2	N(CCHH)3(H)	H(CCHN)	108.7308	0.138	4	108.7308	0.019	4	108.6573	1.031	1732	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(NCCH)(CH3)(H)2	N(CCCH)(CCHH)2(H)	H(CCHN)	C(NCCH)(CH3)(H)2	N(CCCH)(CCHH)2(H)	H(CCHN)	108.9762	0.094	4	108.9762	0.009	4	108.6573	1.031	1732	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(NCCH)(CH3)(H)2	N(CCCH)2(CCHH)(H)	H(CCHN)	C(NCCH)(CH3)(H)2	N(CCCH)2(CCHH)(H)	H(CCHN)	108.7557	0.515	14	108.7557	0.265	14	108.6573	1.031	1732	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(NCCH)(CH3)(H)2	N(CCHH)(CH3)2(H)	H(CCHN)	C(NCCH)(CH3)(H)2	N(CCHH)(CH3)2(H)	H(CCHN)	107.2202	2.024	4	107.2202	4.098	4	108.6573	1.031	1732	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(NCCH)(CH3)(H)2	N(CCHH)2(CH3)(H)	H(CCHN)	C(NCCH)(CH3)(H)2	N(CCHH)2(CH3)(H)	H(CCHN)	108.8538	0.076	4	108.8538	0.006	4	108.6573	1.031	1732	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(NCCH)(CH3)(H)2	N(CCHH)2(CHHP)(H)	H(CCHN)	C(NCCH)(CH3)(H)2	N(CCHH)2(CHHP)(H)	H(CCHN)	109.0024	0.362	16	109.0024	0.131	16	108.6573	1.031	1732	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(NCCH)(CH3)(H)2	N(CCHH)3(H)	H(CCHN)	C(NCCH)(CH3)(H)2	N(CCHH)3(H)	H(CCHN)	108.6565	1.015	1639	108.6565	1.031	1639	108.6573	1.031	1732	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(NCCH)(CH3)(H)2	N(CC[5]HH)(CCHH)2(H)	H(CCHN)	C(NCCH)(CH3)(H)2	N(CC[5]HH)(CCHH)2(H)	H(CCHN)	108.8127	0.007	3	108.8127	0.000	3	108.6573	1.031	1732	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(NCCH)(CH3)(H)2	N(CC[6]HH)(CCHH)(CH3)(H)	H(CCHN)	C(NCCH)(CH3)(H)2	N(CC[6]HH)(CCHH)(CH3)(H)	H(CCHN)	108.7105	0.039	2	108.7105	0.002	2	108.6573	1.031	1732	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(NCCH)(CH3)(H)2	N(CC[6a]2H)(CCHH)2(H)	H(CCHN)	C(NCCH)(CH3)(H)2	N(CC[6a]2H)(CCHH)2(H)	H(CCHN)	109.0830	3.856	4	109.0830	14.866	4	108.6573	1.031	1732	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(NCCH)(CH3)(H)2	N(CC[6a]C[6]H)(CCHH)2(H)	H(CCHN)	C(NCCH)(CH3)(H)2	N(CC[6a]C[6]H)(CCHH)2(H)	H(CCHN)	108.3735	0.351	4	108.3735	0.123	4	108.6573	1.031	1732	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(NCCH)(CH3)(H)2	N(CC[6a]HH)(CCHH)2(H)	H(CCHN)	C(NCCH)(CH3)(H)2	N(CC[6a]HH)(CCHH)2(H)	H(CCHN)	108.5439	0.864	27	108.5439	0.747	27	108.6573	1.031	1732	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	N-4:C-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(NC[6]CH)(CCHH)(H)2	N(C[6]C[6]2H)(CC[6a]HH)(CCHH)(H)	H(CCHN)	C(NC[6]CH)(CCHH)(H)2	N(C[6]C[6]2H)(CC[6a]HH)(CCHH)(H)	H(CCHN)	108.5865	0.019	2	108.5865	0.000	2	109.1601	0.119	10	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	N-4:C-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(NC[6]CH)(CH3)(H)2	N(C[6]B[5x3,5x5,21x6]C[6]H)(CCHH)2(H)	H(CCHN)	C(NC[6]CH)(CH3)(H)2	N(C[6]B[5x3,5x5,21x6]C[6]H)(CCHH)2(H)	H(CCHN)	109.4373	0.066	4	109.4373	0.004	4	109.1601	0.119	10	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	N-4:C-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(NC[6]CH)(CHHN)(H)2	N(C[6]C[6]2H)(CCHH)2(H)	H(CCHN)	C(NC[6]CH)(CHHN)(H)2	N(C[6]C[6]2H)(CCHH)2(H)	H(CCHN)	109.3205	0.019	2	109.3205	0.000	2	109.1601	0.119	10	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	N-4:C-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(NC[6]CH)(CHHO)(H)2	N(C[6]C[6]2H)(CCHH)2(H)	H(CCHN)	C(NC[6]CH)(CHHO)(H)2	N(C[6]C[6]2H)(CCHH)2(H)	H(CCHN)	109.0190	0.006	2	109.0190	0.000	2	109.1601	0.119	10	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	N-4:C-4:H-1:H-1:	In-4:C-4:C-4:H-1:	C-4:	C(NInCH)(CH3)(H)2	N(InCl2N)(CCHH)2(H)	H(CCHN)	C(NInCH)(CH3)(H)2	N(InCl2N)(CCHH)2(H)	H(CCHN)	108.8902	0.131	8	108.8902	0.017	8	108.8902	0.017	8	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	N-4:P-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(NCCH)(PCOO)(H)2	N(CC[6a]HH)2(CHHP)(H)	H(CHNP)	C(NCCH)(PCOO)(H)2	N(CC[6a]HH)2(CHHP)(H)	H(CHNP)	110.1260	0.014	2	110.1260	0.000	2	108.4620	0.873	67	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	N-4:P-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(NCCH)(PHOO)(H)2	N(CCCH)2(CHHP)(H)	H(CHNP)	C(NCCH)(PHOO)(H)2	N(CCCH)2(CHHP)(H)	H(CHNP)	108.2395	0.033	2	108.2395	0.001	2	108.4620	0.873	67	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	N-4:P-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(NCCH)(PHOO)(H)2	N(CCHH)(CHHP)(CH3)(H)	H(CHNP)	C(NCCH)(PHOO)(H)2	N(CCHH)(CHHP)(CH3)(H)	H(CHNP)	108.0760	0.000	1	108.0760	0.000	1	108.4620	0.873	67	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	N-4:P-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(NCCH)(PHOO)(H)2	N(CCHH)2(CHHP)(H)	H(CHNP)	C(NCCH)(PHOO)(H)2	N(CCHH)2(CHHP)(H)	H(CHNP)	109.5165	0.008	2	109.5165	0.000	2	108.4620	0.873	67	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	N-4:P-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(NCCH)(PHOO)(H)2	N(CC[6a]HH)(CCHH)(CHHP)(H)	H(CHNP)	C(NCCH)(PHOO)(H)2	N(CC[6a]HH)(CCHH)(CHHP)(H)	H(CHNP)	107.6105	0.015	2	107.6105	0.000	2	108.4620	0.873	67	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	N-4:P-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(NCCH)(PHOO)(H)2	N(CC[6a]HH)(CHHP)2(H)	H(CHNP)	C(NCCH)(PHOO)(H)2	N(CC[6a]HH)(CHHP)2(H)	H(CHNP)	108.3530	0.460	4	108.3530	0.211	4	108.4620	0.873	67	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	N-4:P-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(NCCH)(PHOO)(H)2	N(CC[6a]HH)2(CHHP)(H)	H(CHNP)	C(NCCH)(PHOO)(H)2	N(CC[6a]HH)2(CHHP)(H)	H(CHNP)	107.6240	0.004	2	107.6240	0.000	2	108.4620	0.873	67	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	N-4:P-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(NCCH)(PHOO)(H)2	N(CHHP)(CH3)2(H)	H(CHNP)	C(NCCH)(PHOO)(H)2	N(CHHP)(CH3)2(H)	H(CHNP)	108.0260	0.025	2	108.0260	0.001	2	108.4620	0.873	67	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	N-4:P-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(NCCH)(PHOO)(H)2	N(CHHP)2(CC3)(H)	H(CHNP)	C(NCCH)(PHOO)(H)2	N(CHHP)2(CC3)(H)	H(CHNP)	108.2043	0.253	4	108.2043	0.064	4	108.4620	0.873	67	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	N-4:P-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(NCCH)(PO3)(H)2	N(CCCH)(CHHP)2(H)	H(CHNP)	C(NCCH)(PO3)(H)2	N(CCCH)(CHHP)2(H)	H(CHNP)	108.1778	0.116	4	108.1778	0.014	4	108.4620	0.873	67	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	N-4:P-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(NCCH)(PO3)(H)2	N(CCHH)(CHHP)(CH3)(H)	H(CHNP)	C(NCCH)(PO3)(H)2	N(CCHH)(CHHP)(CH3)(H)	H(CHNP)	108.2630	0.007	2	108.2630	0.000	2	108.4620	0.873	67	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	N-4:P-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(NCCH)(PO3)(H)2	N(CCHH)(CHHP)2(H)	H(CHNP)	C(NCCH)(PO3)(H)2	N(CCHH)(CHHP)2(H)	H(CHNP)	108.6371	0.298	8	108.6371	0.089	8	108.4620	0.873	67	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	N-4:P-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(NCCH)(PO3)(H)2	N(CCHH)2(CHHP)(H)	H(CHNP)	C(NCCH)(PO3)(H)2	N(CCHH)2(CHHP)(H)	H(CHNP)	109.1835	0.860	12	109.1835	0.739	12	108.4620	0.873	67	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	N-4:P-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(NCCH)(PO3)(H)2	N(CHHP)2(CH3)(H)	H(CHNP)	C(NCCH)(PO3)(H)2	N(CHHP)2(CH3)(H)	H(CHNP)	107.3522	2.392	4	107.3522	5.721	4	108.4620	0.873	67	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	N-4:P-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(NCCH)(PO3)(H)2	N(CHHP)3(H)	H(CHNP)	C(NCCH)(PO3)(H)2	N(CHHP)3(H)	H(CHNP)	108.2761	0.678	16	108.2761	0.460	16	108.4620	0.873	67	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	N-4:P-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:	C(NC[6]2H)(PHOO)(H)2	N(C[6]C[6]2H)2(CHHP)(H)	H(CHNP)	C(NC[6]2H)(PHOO)(H)2	N(C[6]C[6]2H)2(CHHP)(H)	H(CHNP)	108.2690	0.000	1	108.2690	0.000	1	108.2690	0.000	1	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	P-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(PC[6a]2Fe)(NCCH)(H)2	N(CCHH)(CHHP)2(H)	H(CHNP)	C(PC[6a]2Fe)(NCCH)(H)2	N(CCHH)(CHHP)2(H)	H(CHNP)	108.0887	0.808	7	108.0887	0.654	7	108.4843	0.254	35	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	P-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(PC[6a]Fe2)(NCCH)(H)2	N(CCHH)(CHHP)2(H)	H(CHNP)	C(PC[6a]Fe2)(NCCH)(H)2	N(CCHH)(CHHP)2(H)	H(CHNP)	108.9310	0.082	7	108.9310	0.007	7	108.4843	0.254	35	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	P-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(PC[6a]NiC)(NCCH)(H)2	N(CCHH)2(CHHP)(H)	H(CHNP)	C(PC[6a]NiC)(NCCH)(H)2	N(CCHH)2(CHHP)(H)	H(CHNP)	108.3982	0.203	5	108.3982	0.041	5	108.4843	0.254	35	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	P-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(PC[6a]OO)(NCCH)(H)2	N(CCHH)2(CHHP)(H)	H(CHNP)	C(PC[6a]OO)(NCCH)(H)2	N(CCHH)2(CHHP)(H)	H(CHNP)	108.8478	0.117	6	108.8478	0.014	6	108.4843	0.254	35	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	P-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(PC[6a]OO)(NCCH)(H)2	N(CC[6a]HH)2(CHHP)(H)	H(CHNP)	C(PC[6a]OO)(NCCH)(H)2	N(CC[6a]HH)2(CHHP)(H)	H(CHNP)	108.2535	0.005	2	108.2535	0.000	2	108.4843	0.254	35	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:1:	4:	P-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(PFeCC)(NCCH)(H)2	N(CHHP)2(CH3)(H)	H(CHNP)	C(PFeCC)(NCCH)(H)2	N(CHHP)2(CH3)(H)	H(CHNP)	108.2784	0.307	8	108.2784	0.094	8	108.4843	0.254	35	108.7131	1.019	3748	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:2:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:C-2:	C-4:	C(CCHH)(NC3)(H)2	N(CCHH)3(CC)	H(CCHN)	C(CCHH)(NC3)(H)2	N(CCHH)3(CC)	H(CCHN)	108.4072	0.095	5	108.4072	0.009	5	108.4287	0.010	10	107.5312	3.707	22	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:2:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:C-2:	C-4:	C(CH3)(NC3)(H)2	N(CCHH)3(CC)	H(CCHN)	C(CH3)(NC3)(H)2	N(CCHH)3(CC)	H(CCHN)	108.4502	0.116	5	108.4502	0.013	5	108.4287	0.010	10	107.5312	3.707	22	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:2:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:N-2:	C-4:	C(CClHH)(NCCN)(H)2	N(CCHH)(CH3)2(NH)	H(CCHN)	C(CClHH)(NCCN)(H)2	N(CCHH)(CH3)2(NH)	H(CCHN)	108.3140	0.030	2	108.3140	0.001	2	108.3140	0.001	2	107.5312	3.707	22	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:2:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:N-2:	C-4:	C(NCCN)(CH3)(H)2	N(CCHH)(CH3)2(NTi)	H(CCHN)	C(NCCN)(CH3)(H)2	N(CCHH)(CH3)2(NTi)	H(CCHN)	109.1035	1.177	4	109.1035	1.386	4	109.1035	1.386	4	107.5312	3.707	22	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:2:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(NCCO)(CH3)(H)2	N(CCHH)3(OH)	H(CCHN)	C(NCCO)(CH3)(H)2	N(CCHH)3(OH)	H(CCHN)	104.7262	1.202	6	104.7262	1.444	6	104.7262	1.444	6	107.5312	3.707	22	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:3:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CCHH)(NC3)(H)2	N(CCHH)2(CH3)(CCH)	H(CCHN)	C(CCHH)(NC3)(H)2	N(CCHH)2(CH3)(CCH)	H(CCHN)	103.4502	5.453	2	103.4502	29.734	2	107.9129	15.213	84	107.9694	14.237	90	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:3:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CCHH)(NC3)(H)2	N(CCHH)3(CCH)	H(CCHN)	C(CCHH)(NC3)(H)2	N(CCHH)3(CCH)	H(CCHN)	105.7575	6.425	22	105.7575	41.275	22	107.9129	15.213	84	107.9694	14.237	90	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:3:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CCHH)(NC3)(H)2	N(CClHH)(CCHH)(CH3)(CHH)	H(CCHN)	C(CCHH)(NC3)(H)2	N(CClHH)(CCHH)(CH3)(CHH)	H(CCHN)	102.7725	2.699	2	102.7725	7.285	2	107.9129	15.213	84	107.9694	14.237	90	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:3:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CH3)(NC3)(H)2	N(CCHH)3(CCH)	H(CCHN)	C(CH3)(NC3)(H)2	N(CCHH)3(CCH)	H(CCHN)	109.0161	1.012	18	109.0161	1.023	18	107.9129	15.213	84	107.9694	14.237	90	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:3:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CH3)(NC3)(H)2	N(CCHH)3(CCN)	H(CCHN)	C(CH3)(NC3)(H)2	N(CCHH)3(CCN)	H(CCHN)	108.6548	0.071	5	108.6548	0.005	5	107.9129	15.213	84	107.9694	14.237	90	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:3:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CH3)(NC3)(H)2	N(CCHH)3(CHH)	H(CCHN)	C(CH3)(NC3)(H)2	N(CCHH)3(CHH)	H(CCHN)	109.1432	1.424	35	109.1432	2.029	35	107.9129	15.213	84	107.9694	14.237	90	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:3:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:B-3:	C-4:	C(NBCC)(CH3)(H)2	N(CCHH)3(BCO)	H(CCHN)	C(NBCC)(CH3)(H)2	N(CCHH)3(BCO)	H(CCHN)	108.7605	0.278	6	108.7605	0.078	6	108.7605	0.078	6	107.9694	14.237	90	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:4:	4:	B[5]-4:N-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(B[5]C[4]O[5]2)(NC3)(H)2	N(CB[5]HH)(CCHH)(CH3)2	H(CB[5]HN)	C(B[5]C[4]O[5]2)(NC3)(H)2	N(CB[5]HH)(CCHH)(CH3)2	H(CB[5]HN)	107.3075	0.018	2	107.3075	0.000	2	107.3075	0.000	2	108.2222	0.885	14871	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:4:	4:	C-4:N-4:H-1:H-1:	B-4:C-4:C-4:C-4:	C-4:	C(CCHH)(NBCC)(H)2	N(BHHN)(CCHH)3	H(CCHN)	C(CCHH)(NBCC)(H)2	N(BHHN)(CCHH)3	H(CCHN)	106.2448	1.365	6	106.2448	1.864	6	106.7980	1.547	10	108.2222	0.885	14871	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:4:	4:	C-4:N-4:H-1:H-1:	B-4:C-4:C-4:C-4:	C-4:	C(CHHN)(NBCC)(H)2	N(BCHH)(CCHH)(CH3)2	H(CCHN)	C(CHHN)(NBCC)(H)2	N(BCHH)(CCHH)(CH3)2	H(CCHN)	107.6277	0.070	4	107.6277	0.005	4	106.7980	1.547	10	108.2222	0.885	14871	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:4:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:B-4:	C-4:	C(CCHH)(NBCC)(H)2	N(CCHH)3(BH3)	H(CCHN)	C(CCHH)(NBCC)(H)2	N(CCHH)3(BH3)	H(CCHN)	108.3275	0.005	2	108.3275	0.000	2	108.4573	0.011	6	108.2222	0.885	14871	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:4:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:B-4:	C-4:	C(CHHS)(NBCC)(H)2	N(CCHH)3(BH3)	H(CCHN)	C(CHHS)(NBCC)(H)2	N(CCHH)3(BH3)	H(CCHN)	108.5222	0.039	4	108.5222	0.002	4	108.4573	0.011	6	108.2222	0.885	14871	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:4:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CBHH)(NC3)(H)2	N(CC[6a]HH)(CCHH)(CH3)2	H(CCHN)	C(CBHH)(NC3)(H)2	N(CC[6a]HH)(CCHH)(CH3)2	H(CCHN)	108.3150	0.173	3	108.3150	0.030	3	108.2239	0.872	14718	108.2222	0.885	14871	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:4:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CBrHH)(NC3)(H)2	N(CCCH)(CCHH)(CH3)2	H(CCHN)	C(CBrHH)(NC3)(H)2	N(CCCH)(CCHH)(CH3)2	H(CCHN)	107.0435	0.008	2	107.0435	0.000	2	108.2239	0.872	14718	108.2222	0.885	14871	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:4:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CBrHH)(NC3)(H)2	N(CCHH)(CH3)3	H(CCHN)	C(CBrHH)(NC3)(H)2	N(CCHH)(CH3)3	H(CCHN)	108.7552	0.156	6	108.7552	0.024	6	108.2239	0.872	14718	108.2222	0.885	14871	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:4:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CCHH)(NC3)(H)2	N(CCHH)(CH3)3	H(CCHN)	C(CCHH)(NC3)(H)2	N(CCHH)(CH3)3	H(CCHN)	107.3435	1.871	80	107.3435	3.499	80	108.2239	0.872	14718	108.2222	0.885	14871	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:4:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CCHH)(NC3)(H)2	N(CCHH)(CHHI)(CH3)2	H(CCHN)	C(CCHH)(NC3)(H)2	N(CCHH)(CHHI)(CH3)2	H(CCHN)	108.6150	0.065	6	108.6150	0.004	6	108.2239	0.872	14718	108.2222	0.885	14871	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:4:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CCHH)(NC3)(H)2	N(CCHH)2(CH3)2	H(CCHN)	C(CCHH)(NC3)(H)2	N(CCHH)2(CH3)2	H(CCHN)	108.3102	0.478	42	108.3102	0.228	42	108.2239	0.872	14718	108.2222	0.885	14871	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:4:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CCHH)(NC3)(H)2	N(CCHH)3(CH3)	H(CCHN)	C(CCHH)(NC3)(H)2	N(CCHH)3(CH3)	H(CCHN)	108.3076	0.172	86	108.3076	0.030	86	108.2239	0.872	14718	108.2222	0.885	14871	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:4:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CCHH)(NC3)(H)2	N(CCHH)4	H(CCHN)	C(CCHH)(NC3)(H)2	N(CCHH)4	H(CCHN)	108.1381	0.902	7786	108.1381	0.814	7786	108.2239	0.872	14718	108.2222	0.885	14871	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:4:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CCHH)(NC3)(H)2	N(CC[5]HH)(CCHH)(CH3)2	H(CCHN)	C(CCHH)(NC3)(H)2	N(CC[5]HH)(CCHH)(CH3)2	H(CCHN)	108.3472	0.064	5	108.3472	0.004	5	108.2239	0.872	14718	108.2222	0.885	14871	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:4:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CCHH)(NC3)(H)2	N(CC[6]HH)(CCHH)(CH3)2	H(CCHN)	C(CCHH)(NC3)(H)2	N(CC[6]HH)(CCHH)(CH3)2	H(CCHN)	108.3218	0.068	8	108.3218	0.005	8	108.2239	0.872	14718	108.2222	0.885	14871	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:4:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CCHH)(NC3)(H)2	N(CC[6a]HH)(CCHH)(CH3)2	H(CCHN)	C(CCHH)(NC3)(H)2	N(CC[6a]HH)(CCHH)(CH3)2	H(CCHN)	108.2703	0.415	27	108.2703	0.172	27	108.2239	0.872	14718	108.2222	0.885	14871	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:4:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CCHH)(NC3)(H)2	N(CC[6a]HH)(CCHH)3	H(CCHN)	C(CCHH)(NC3)(H)2	N(CC[6a]HH)(CCHH)3	H(CCHN)	108.2507	0.282	38	108.2507	0.080	38	108.2239	0.872	14718	108.2222	0.885	14871	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:4:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CCHN)(NC3)(H)2	N(CC[6a]HH)(CCHH)(CH3)2	H(CCHN)	C(CCHN)(NC3)(H)2	N(CC[6a]HH)(CCHH)(CH3)2	H(CCHN)	108.3595	0.067	2	108.3595	0.005	2	108.2239	0.872	14718	108.2222	0.885	14871	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:4:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CCHO)(NC3)(H)2	N(CCHH)(CH3)3	H(CCHN)	C(CCHO)(NC3)(H)2	N(CCHH)(CH3)3	H(CCHN)	107.6598	1.439	24	107.6598	2.071	24	108.2239	0.872	14718	108.2222	0.885	14871	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:4:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CCHO)(NC3)(H)2	N(CCHH)2(CH3)2	H(CCHN)	C(CCHO)(NC3)(H)2	N(CCHH)2(CH3)2	H(CCHN)	108.7480	0.000	1	108.7480	0.000	1	108.2239	0.872	14718	108.2222	0.885	14871	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:4:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC[4]CH)(NC3)(H)2	N(CB[5]HH)(CCHH)(CH3)2	H(CCHN)	C(CC[4]CH)(NC3)(H)2	N(CB[5]HH)(CCHH)(CH3)2	H(CCHN)	108.5760	0.006	2	108.5760	0.000	2	108.2239	0.872	14718	108.2222	0.885	14871	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:4:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC[5]HH)(NC3)(H)2	N(CCHH)(CH3)3	H(CCHN)	C(CC[5]HH)(NC3)(H)2	N(CCHH)(CH3)3	H(CCHN)	108.5475	0.166	8	108.5475	0.028	8	108.2239	0.872	14718	108.2222	0.885	14871	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:4:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC[5a]HH)(NC3)(H)2	N(CCHH)(CH3)3	H(CCHN)	C(CC[5a]HH)(NC3)(H)2	N(CCHH)(CH3)3	H(CCHN)	108.5421	0.207	9	108.5421	0.043	9	108.2239	0.872	14718	108.2222	0.885	14871	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:4:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC[5a]HH)(NC3)(H)2	N(CCHH)2(CH3)2	H(CCHN)	C(CC[5a]HH)(NC3)(H)2	N(CCHH)2(CH3)2	H(CCHN)	108.8910	0.013	2	108.8910	0.000	2	108.2239	0.872	14718	108.2222	0.885	14871	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:4:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC[5x3,5x5,20x6]HH)(NC3)(H)2	N(CCHH)(CH3)3	H(CCHN)	C(CC[5x3,5x5,20x6]HH)(NC3)(H)2	N(CCHH)(CH3)3	H(CCHN)	108.2820	0.045	2	108.2820	0.002	2	108.2239	0.872	14718	108.2222	0.885	14871	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:4:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC[6]HH)(NC3)(H)2	N(CC[6a]HH)(CCHH)(CH3)2	H(CCHN)	C(CC[6]HH)(NC3)(H)2	N(CC[6a]HH)(CCHH)(CH3)2	H(CCHN)	107.9515	0.021	2	107.9515	0.000	2	108.2239	0.872	14718	108.2222	0.885	14871	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:4:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC[6a]HH)(NC3)(H)2	N(CCHH)(CH3)3	H(CCHN)	C(CC[6a]HH)(NC3)(H)2	N(CCHH)(CH3)3	H(CCHN)	108.5553	0.176	6	108.5553	0.031	6	108.2239	0.872	14718	108.2222	0.885	14871	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:4:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CClHH)(NC3)(H)2	N(CCCH)(CCHH)(CH3)2	H(CCHN)	C(CClHH)(NC3)(H)2	N(CCCH)(CCHH)(CH3)2	H(CCHN)	108.8530	0.038	2	108.8530	0.001	2	108.2239	0.872	14718	108.2222	0.885	14871	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:4:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CClHH)(NC3)(H)2	N(CCHH)(CH3)3	H(CCHN)	C(CClHH)(NC3)(H)2	N(CCHH)(CH3)3	H(CCHN)	108.6181	0.397	13	108.6181	0.158	13	108.2239	0.872	14718	108.2222	0.885	14871	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:4:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CFHH)(NC3)(H)2	N(CCCH)(CCHH)(CH3)2	H(CCHN)	C(CFHH)(NC3)(H)2	N(CCCH)(CCHH)(CH3)2	H(CCHN)	108.3125	0.012	2	108.3125	0.000	2	108.2239	0.872	14718	108.2222	0.885	14871	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:4:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CH3)(NC3)(H)2	N(CBrHH)(CCHH)3	H(CCHN)	C(CH3)(NC3)(H)2	N(CBrHH)(CCHH)3	H(CCHN)	108.1252	0.280	12	108.1252	0.078	12	108.2239	0.872	14718	108.2222	0.885	14871	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:4:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CH3)(NC3)(H)2	N(CCHH)(CH3)3	H(CCHN)	C(CH3)(NC3)(H)2	N(CCHH)(CH3)3	H(CCHN)	108.6621	0.572	8	108.6621	0.328	8	108.2239	0.872	14718	108.2222	0.885	14871	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:4:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CH3)(NC3)(H)2	N(CCHH)2(CH3)2	H(CCHN)	C(CH3)(NC3)(H)2	N(CCHH)2(CH3)2	H(CCHN)	107.8272	0.845	4	107.8272	0.715	4	108.2239	0.872	14718	108.2222	0.885	14871	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:4:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CH3)(NC3)(H)2	N(CCHH)3(CH3)	H(CCHN)	C(CH3)(NC3)(H)2	N(CCHH)3(CH3)	H(CCHN)	108.4494	0.379	45	108.4494	0.143	45	108.2239	0.872	14718	108.2222	0.885	14871	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:4:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CH3)(NC3)(H)2	N(CCHH)4	H(CCHN)	C(CH3)(NC3)(H)2	N(CCHH)4	H(CCHN)	108.3446	0.935	6076	108.3446	0.874	6076	108.2239	0.872	14718	108.2222	0.885	14871	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:4:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CH3)(NC3)(H)2	N(CC[5]HH)(CCHH)(CH3)2	H(CCHN)	C(CH3)(NC3)(H)2	N(CC[5]HH)(CCHH)(CH3)2	H(CCHN)	108.6075	0.006	2	108.6075	0.000	2	108.2239	0.872	14718	108.2222	0.885	14871	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:4:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CH3)(NC3)(H)2	N(CC[5a]HH)(CCHH)2(CH3)	H(CCHN)	C(CH3)(NC3)(H)2	N(CC[5a]HH)(CCHH)2(CH3)	H(CCHN)	104.4725	0.691	4	104.4725	0.477	4	108.2239	0.872	14718	108.2222	0.885	14871	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:4:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CH3)(NC3)(H)2	N(CC[6]HH)(CCHH)3	H(CCHN)	C(CH3)(NC3)(H)2	N(CC[6]HH)(CCHH)3	H(CCHN)	108.5345	0.212	21	108.5345	0.045	21	108.2239	0.872	14718	108.2222	0.885	14871	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:4:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CH3)(NC3)(H)2	N(CC[6a]HH)(CCHH)(CH3)2	H(CCHN)	C(CH3)(NC3)(H)2	N(CC[6a]HH)(CCHH)(CH3)2	H(CCHN)	108.4093	0.061	6	108.4093	0.004	6	108.2239	0.872	14718	108.2222	0.885	14871	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:4:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CH3)(NC3)(H)2	N(CC[6a]HH)(CCHH)2(CH3)	H(CCHN)	C(CH3)(NC3)(H)2	N(CC[6a]HH)(CCHH)2(CH3)	H(CCHN)	108.5724	0.190	8	108.5724	0.036	8	108.2239	0.872	14718	108.2222	0.885	14871	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:4:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CH3)(NC3)(H)2	N(CC[6a]HH)(CCHH)3	H(CCHN)	C(CH3)(NC3)(H)2	N(CC[6a]HH)(CCHH)3	H(CCHN)	108.3061	0.732	148	108.3061	0.536	148	108.2239	0.872	14718	108.2222	0.885	14871	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:4:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CH3)(NC3)(H)2	N(CC[6a]HH)2(CCHH)2	H(CCHN)	C(CH3)(NC3)(H)2	N(CC[6a]HH)2(CCHH)2	H(CCHN)	108.2625	0.108	12	108.2625	0.012	12	108.2239	0.872	14718	108.2222	0.885	14871	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:4:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CH3)(NC3)(H)2	N(CClHH)(CCHH)3	H(CCHN)	C(CH3)(NC3)(H)2	N(CClHH)(CCHH)3	H(CCHN)	108.4444	0.287	37	108.4444	0.083	37	108.2239	0.872	14718	108.2222	0.885	14871	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:4:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CHHN)(NC3)(H)2	N(CCHH)(CH3)3	H(CCHN)	C(CHHN)(NC3)(H)2	N(CCHH)(CH3)3	H(CCHN)	107.9562	1.254	20	107.9562	1.573	20	108.2239	0.872	14718	108.2222	0.885	14871	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:4:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CHHN)(NC3)(H)2	N(CCHH)2(CH3)2	H(CCHN)	C(CHHN)(NC3)(H)2	N(CCHH)2(CH3)2	H(CCHN)	108.5713	0.409	22	108.5713	0.167	22	108.2239	0.872	14718	108.2222	0.885	14871	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:4:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CHHN)(NC3)(H)2	N(CCHH)3(CH3)	H(CCHN)	C(CHHN)(NC3)(H)2	N(CCHH)3(CH3)	H(CCHN)	107.1788	0.099	5	107.1788	0.010	5	108.2239	0.872	14718	108.2222	0.885	14871	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:4:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CHHN)(NC3)(H)2	N(CCHH)4	H(CCHN)	C(CHHN)(NC3)(H)2	N(CCHH)4	H(CCHN)	108.6295	0.239	6	108.6295	0.057	6	108.2239	0.872	14718	108.2222	0.885	14871	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:4:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CHHN)(NC3)(H)2	N(CC[6a]HH)(CCHH)(CH3)2	H(CCHN)	C(CHHN)(NC3)(H)2	N(CC[6a]HH)(CCHH)(CH3)2	H(CCHN)	107.3508	2.465	4	107.3508	6.076	4	108.2239	0.872	14718	108.2222	0.885	14871	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:4:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CHHN)(NC3)(H)2	N(CC[6a]HH)(CCHH)3	H(CCHN)	C(CHHN)(NC3)(H)2	N(CC[6a]HH)(CCHH)3	H(CCHN)	108.3162	0.056	5	108.3162	0.003	5	108.2239	0.872	14718	108.2222	0.885	14871	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:4:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CHHN)(NC3)(H)2	N(CC[6a]HH)(CC[6]HH)(CCHH)(CH3)	H(CCHN)	C(CHHN)(NC3)(H)2	N(CC[6a]HH)(CC[6]HH)(CCHH)(CH3)	H(CCHN)	108.1430	0.042	2	108.1430	0.002	2	108.2239	0.872	14718	108.2222	0.885	14871	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:4:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CHHN)(NC3)(H)2	N(CClHH)(CCHH)(CH3)2	H(CCHN)	C(CHHN)(NC3)(H)2	N(CClHH)(CCHH)(CH3)2	H(CCHN)	109.0435	0.037	2	109.0435	0.001	2	108.2239	0.872	14718	108.2222	0.885	14871	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:4:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CHHO)(NC3)(H)2	N(CCHH)(CH3)3	H(CCHN)	C(CHHO)(NC3)(H)2	N(CCHH)(CH3)3	H(CCHN)	107.8405	1.772	80	107.8405	3.140	80	108.2239	0.872	14718	108.2222	0.885	14871	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:4:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CHHO)(NC3)(H)2	N(CCHH)2(CH3)2	H(CCHN)	C(CHHO)(NC3)(H)2	N(CCHH)2(CH3)2	H(CCHN)	106.3748	4.315	6	106.3748	18.615	6	108.2239	0.872	14718	108.2222	0.885	14871	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:4:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CHHO)(NC3)(H)2	N(CCHH)3(CH3)	H(CCHN)	C(CHHO)(NC3)(H)2	N(CCHH)3(CH3)	H(CCHN)	108.2805	0.206	10	108.2805	0.042	10	108.2239	0.872	14718	108.2222	0.885	14871	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:4:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CHHO)(NC3)(H)2	N(CCHH)4	H(CCHN)	C(CHHO)(NC3)(H)2	N(CCHH)4	H(CCHN)	108.1102	0.041	4	108.1102	0.002	4	108.2239	0.872	14718	108.2222	0.885	14871	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:4:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CHHO)(NC3)(H)2	N(CC[6]HH)(CCHH)(CH3)2	H(CCHN)	C(CHHO)(NC3)(H)2	N(CC[6]HH)(CCHH)(CH3)2	H(CCHN)	108.3545	0.585	4	108.3545	0.342	4	108.2239	0.872	14718	108.2222	0.885	14871	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:4:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CN[6a]HH)(NC3)(H)2	N(CCHH)2(CH3)2	H(CCHN)	C(CN[6a]HH)(NC3)(H)2	N(CCHH)2(CH3)2	H(CCHN)	108.6020	0.000	1	108.6020	0.000	1	108.2239	0.872	14718	108.2222	0.885	14871	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:4:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:S-4:	C-4:	C(CCHH)(NCCS)(H)2	N(CCHH)3(SO3)	H(CCHN)	C(CCHH)(NCCS)(H)2	N(CCHH)3(SO3)	H(CCHN)	108.3010	0.018	2	108.3010	0.000	2	108.3010	0.000	2	108.2222	0.885	14871	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:N-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6]C)(NC3)(H)2	N(CC[5,6]HH)(CH3)3	H(CC[5,6]HN)	C(C[5,6]C[5,5,6]C[5,6]C)(NC3)(H)2	N(CC[5,6]HH)(CH3)3	H(CC[5,6]HN)	104.3950	0.615	2	104.3950	0.378	2	104.3950	0.378	2	108.2222	0.885	14871	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:N-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(C[5]C[5]2Fe)(NC3)(H)2	N(CC[5]HH)(CCHH)(CH3)2	H(CC[5]HN)	C(C[5]C[5]2Fe)(NC3)(H)2	N(CC[5]HH)(CCHH)(CH3)2	H(CC[5]HN)	108.7131	0.249	8	108.7131	0.062	8	107.9878	3.614	39	108.2222	0.885	14871	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:N-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(C[5]C[5]2Fe)(NC3)(H)2	N(CC[5]HH)(CH3)3	H(CC[5]HN)	C(C[5]C[5]2Fe)(NC3)(H)2	N(CC[5]HH)(CH3)3	H(CC[5]HN)	107.8996	1.656	27	107.8996	2.741	27	107.9878	3.614	39	108.2222	0.885	14871	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:N-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(C[5]C[5]O[5]H)(NC3)(H)2	N(CC[5]HH)(CH3)3	H(CC[5]HN)	C(C[5]C[5]O[5]H)(NC3)(H)2	N(CC[5]HH)(CH3)3	H(CC[5]HN)	107.1325	4.407	4	107.1325	19.420	4	107.9878	3.614	39	108.2222	0.885	14871	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:N-4:H-1:H-1:	C-4:B-4:C-4:C-4:	C-4:	C(C[6]C[6]2Cr)(NBCC)(H)2	N(CC[6]HH)(BH3)(CH3)2	H(CC[6]HN)	C(C[6]C[6]2Cr)(NBCC)(H)2	N(CC[6]HH)(BH3)(CH3)2	H(CC[6]HN)	107.8090	3.596	2	107.8090	12.934	2	107.8090	12.934	2	108.2222	0.885	14871	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:N-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(C[6]C[6]2Cr)(NC3)(H)2	N(CC[6]HH)(CCHH)(CH3)2	H(CC[6]HN)	C(C[6]C[6]2Cr)(NC3)(H)2	N(CC[6]HH)(CCHH)(CH3)2	H(CC[6]HN)	108.7475	0.033	4	108.7475	0.001	4	108.7475	0.001	4	108.2222	0.885	14871	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:4:	4:	N-4:C-4:H-1:H-1:	B-4:C-4:C-4:C-4:	C-4:	C(NBCC)(CH3)(H)2	N(BC[5]HH)(CCHH)(CH3)2	H(CCHN)	C(NBCC)(CH3)(H)2	N(BC[5]HH)(CCHH)(CH3)2	H(CCHN)	108.2420	0.007	2	108.2420	0.000	2	108.2929	0.025	24	108.2222	0.885	14871	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:4:	4:	N-4:C-4:H-1:H-1:	B-4:C-4:C-4:C-4:	C-4:	C(NBCC)(CH3)(H)2	N(BClHH)(CCHH)3	H(CCHN)	C(NBCC)(CH3)(H)2	N(BClHH)(CCHH)3	H(CCHN)	108.4035	0.037	4	108.4035	0.001	4	108.2929	0.025	24	108.2222	0.885	14871	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:4:	4:	N-4:C-4:H-1:H-1:	B-4:C-4:C-4:C-4:	C-4:	C(NBCC)(CH3)(H)2	N(BHHN)(CCHH)3	H(CCHN)	C(NBCC)(CH3)(H)2	N(BHHN)(CCHH)3	H(CCHN)	108.2893	0.155	13	108.2893	0.024	13	108.2929	0.025	24	108.2222	0.885	14871	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:4:	4:	N-4:C-4:H-1:H-1:	B-4:C-4:C-4:C-4:	C-4:	C(NBCC)(CH3)(H)2	N(BHHO)(CCHH)3	H(CCHN)	C(NBCC)(CH3)(H)2	N(BHHO)(CCHH)3	H(CCHN)	108.2340	0.230	5	108.2340	0.053	5	108.2929	0.025	24	108.2222	0.885	14871	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:4:	4:	N-4:C-4:H-1:H-1:	B[5a]-4:C-4:C-4:C-4:	C-4:	C(NB[5a]CC)(CH3)(H)2	N(B[5a]O[5a]2Cl)(CCHH)3	H(CCHN)	C(NB[5a]CC)(CH3)(H)2	N(B[5a]O[5a]2Cl)(CCHH)3	H(CCHN)	105.6720	1.798	6	105.6720	3.233	6	105.6720	3.233	6	108.2222	0.885	14871	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:4:	4:	N-4:C-4:H-1:H-1:	C[4]-4:C-4:C-4:C-4:	C-4:	C(NC[4]CC)(CH3)(H)2	N(C[4]C[4]2H)(CCHH)2(CH3)	H(CCHN)	C(NC[4]CC)(CH3)(H)2	N(C[4]C[4]2H)(CCHH)2(CH3)	H(CCHN)	108.4883	0.125	7	108.4883	0.016	7	108.4415	0.014	12	108.2222	0.885	14871	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:4:	4:	N-4:C-4:H-1:H-1:	C[4]-4:C-4:C-4:C-4:	C-4:	C(NC[4]CC)(CH3)(H)2	N(C[4]C[4]N[4]H)(CCHH)3	H(CCHN)	C(NC[4]CC)(CH3)(H)2	N(C[4]C[4]N[4]H)(CCHH)3	H(CCHN)	108.3760	0.083	5	108.3760	0.007	5	108.4415	0.014	12	108.2222	0.885	14871	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:4:	4:	N-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(NC[5]CC)(CH3)(H)2	N(C[5]C[5,6a]C[5]H)(CCHH)3	H(CCHN)	C(NC[5]CC)(CH3)(H)2	N(C[5]C[5,6a]C[5]H)(CCHH)3	H(CCHN)	108.2226	0.244	12	108.2226	0.060	12	108.2226	0.060	12	108.2222	0.885	14871	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:4:	4:	N-4:C-4:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C-4:	C(NC[6]CC)(CCHH)(H)2	N(C[6]C[6]2H)(CCHH)(CH3)2	H(CCHN)	C(NC[6]CC)(CCHH)(H)2	N(C[6]C[6]2H)(CCHH)(CH3)2	H(CCHN)	108.4697	0.249	3	108.4697	0.062	3	108.2806	0.045	13	108.2222	0.885	14871	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:4:	4:	N-4:C-4:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C-4:	C(NC[6]CC)(CH3)(H)2	N(C[6]C[6]2H)(CCHH)3	H(CCHN)	C(NC[6]CC)(CH3)(H)2	N(C[6]C[6]2H)(CCHH)3	H(CCHN)	108.2239	0.174	10	108.2239	0.030	10	108.2806	0.045	13	108.2222	0.885	14871	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:4:	4:	N-4:C-4:H-1:H-1:	Ga-4:C-4:C-4:C-4:	C-4:	C(NGaCC)(CHHN)(H)2	N(GaCl2O)(CCHH)(CH3)2	H(CCHN)	C(NGaCC)(CHHN)(H)2	N(GaCl2O)(CCHH)(CH3)2	H(CCHN)	109.8457	0.043	3	109.8457	0.002	3	109.8482	0.001	5	108.2222	0.885	14871	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:4:	4:	N-4:C-4:H-1:H-1:	Ga-4:C-4:C-4:C-4:	C-4:	C(NGaCC)(CHHN)(H)2	N(GaClOO)(CCHH)(CH3)2	H(CCHN)	C(NGaCC)(CHHN)(H)2	N(GaClOO)(CCHH)(CH3)2	H(CCHN)	109.8520	0.041	2	109.8520	0.002	2	109.8482	0.001	5	108.2222	0.885	14871	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:4:	4:	N-4:C-4:H-1:H-1:	In-4:C-4:C-4:C-4:	C-4:	C(NInCC)(CHHN)(H)2	N(InBr2In)(CCHH)(CH3)2	H(CCHN)	C(NInCC)(CHHN)(H)2	N(InBr2In)(CCHH)(CH3)2	H(CCHN)	108.8085	0.412	4	108.8085	0.169	4	108.8085	0.169	4	108.2222	0.885	14871	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:4:	4:	N-4:C-4:H-1:H-1:	In[5]-4:C-4:C-4:C-4:	C-4:	C(NIn[5]CC)(CHHN)(H)2	N(In[5]N[5]O[5]I)(CCHH)(CH3)2	H(CCHN)	C(NIn[5]CC)(CHHN)(H)2	N(In[5]N[5]O[5]I)(CCHH)(CH3)2	H(CCHN)	109.4645	0.070	2	109.4645	0.005	2	109.4645	0.005	2	108.2222	0.885	14871	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:4:	4:	N-4:C-4:H-1:H-1:	Si-4:Si-4:C-4:C-4:	C-4:	C(NSi2C)(CH3)(H)2	N(SiCCW)2(CCHH)2	H(CCHN)	C(NSi2C)(CH3)(H)2	N(SiCCW)2(CCHH)2	H(CCHN)	108.4163	0.184	4	108.4163	0.034	4	108.3416	5.148	8	108.2222	0.885	14871	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	4:4:4:4:	4:	N-4:C-4:H-1:H-1:	Si-4:Si-4:C-4:C-4:	C-4:	C(NSi2C)(CH3)(H)2	N(SiMoCC)2(CCHH)2	H(CCHN)	C(NSi2C)(CH3)(H)2	N(SiMoCC)2(CCHH)2	H(CCHN)	108.2670	3.459	4	108.2670	11.963	4	108.3416	5.148	8	108.2222	0.885	14871	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	5:4:3:1:	4:	N-4:P-4:H-1:H-1:	C-5:C-4:C-3:H-1:	C-4:	C(NCCH)(PO3)(H)2	N(CH3P)(CHHP)(CHP)(H)	H(CHNP)	C(NCCH)(PO3)(H)2	N(CH3P)(CHHP)(CHP)(H)	H(CHNP)	109.2520	0.010	2	109.2520	0.000	2	109.2520	0.000	2	109.2520	0.000	2	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	5:4:4:1:	4:	N-4:C-4:H-1:H-1:	B[3,3,5,3x6]-5:C-4:C-4:H-1:	C-4:	C(NB[3,3,5,3x6]CH)(CH3)(H)2	N(B[3,3,5,3x6]B[4x3,5,5,4x6]2B[5x3,5,5,6]H)(CCHH)2(H)	H(CCHN)	C(NB[3,3,5,3x6]CH)(CH3)(H)2	N(B[3,3,5,3x6]B[4x3,5,5,4x6]2B[5x3,5,5,6]H)(CCHH)2(H)	H(CCHN)	108.7575	0.097	2	108.7575	0.009	2	108.7575	0.009	2	108.7643	0.031	6	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	5:4:4:1:	4:	N-4:C-4:H-1:H-1:	B[3,3,6,6]-5:C-4:C-4:H-1:	C-4:	C(NB[3,3,6,6]CH)(CH3)(H)2	N(B[3,3,6,6]B[4x3,5,5,12x6]B[4x3,4,5,7x6]B[3,4,4x6]H)(CCHH)2(H)	H(CCHN)	C(NB[3,3,6,6]CH)(CH3)(H)2	N(B[3,3,6,6]B[4x3,5,5,12x6]B[4x3,4,5,7x6]B[3,4,4x6]H)(CCHH)2(H)	H(CCHN)	108.7678	0.219	4	108.7678	0.048	4	108.7678	0.048	4	108.7643	0.031	6	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	5:4:4:4:	4:	N-4:C-4:H-1:H-1:	In[5]-5:C-4:C-4:C-4:	C-4:	C(NIn[5]CC)(CHHN)(H)2	N(In[5]N[5]O[5]Cl2)(CCHH)(CH3)2	H(CCHN)	C(NIn[5]CC)(CHHN)(H)2	N(In[5]N[5]O[5]Cl2)(CCHH)(CH3)2	H(CCHN)	109.2970	0.000	1	109.2970	0.000	1	109.2970	0.000	1	109.2970	0.000	1	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	6:4:4:1:	4:	N-4:C-4:H-1:H-1:	In[4]-6:C-4:C-4:H-1:	C-4:	C(NIn[4]CH)(CH3)(H)2	N(In[4]Cl[4]2Cl3)(CCHH)2(H)	H(CCHN)	C(NIn[4]CH)(CH3)(H)2	N(In[4]Cl[4]2Cl3)(CCHH)2(H)	H(CCHN)	109.0733	0.024	4	109.0733	0.001	4	109.0733	0.001	4	109.0733	0.001	4	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:1:1:	6:4:4:4:	4:	N-4:C-4:H-1:H-1:	B[5x3,5x5,20x6]-6:C-4:C-4:C-4:	C-4:	C(NB[5x3,5x5,20x6]CC)(CH3)(H)2	N(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(CCHH)3	H(CCHN)	C(NB[5x3,5x5,20x6]CC)(CH3)(H)2	N(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(CCHH)3	H(CCHN)	108.1952	0.231	6	108.1952	0.053	6	108.1952	0.053	6	108.1952	0.053	6	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:2:1:	3:4:4:1:	4:	C[6]-4:N-4:C-2:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(C[6]C[6]2H)(NC[6a]CH)(CC)(H)	N(C[6a]C[6a]2)(CC[6]CH)(CH3)(H)	H(CC[6]CN)	C(C[6]C[6]2H)(NC[6a]CH)(CC)(H)	N(C[6a]C[6a]2)(CC[6]CH)(CH3)(H)	H(CC[6]CN)	107.6130	0.000	1	107.6130	0.000	1	107.6130	0.000	1	107.7445	0.035	2	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:2:1:	3:4:4:1:	4:	N-4:C-4:C-2:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(NC[6a]CH)(CCHH)(CC)(H)	N(C[6a]C[6a]2)(CCCH)(CH3)(H)	H(CCCN)	C(NC[6a]CH)(CCHH)(CC)(H)	N(C[6a]C[6a]2)(CCCH)(CH3)(H)	H(CCCN)	107.8760	0.000	1	107.8760	0.000	1	107.8760	0.000	1	107.7445	0.035	2	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:2:1:	4:4:4:4:	4:	C-4:N-4:C-2:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CH3)(NC3)(CC)(H)	N(CCCH)(CH3)3	H(CCCN)	C(CH3)(NC3)(CC)(H)	N(CCCH)(CH3)3	H(CCCN)	107.3780	0.369	2	107.3780	0.136	2	107.3780	0.136	2	107.3780	0.136	2	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:3:1:	3:4:1:1:	4:	N-4:C-4:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(NC[6a]HH)(CH3)(CCN)(H)	N(C[6a]C[6a]2)(CCCH)(H)2	H(CCCN)	C(NC[6a]HH)(CH3)(CCN)(H)	N(C[6a]C[6a]2)(CCCH)(H)2	H(CCCN)	109.3790	0.192	2	109.3790	0.037	2	109.3790	0.037	2	109.3790	0.037	2	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:3:1:	4:1:1:1:	4:	C-4:N-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CBrHH)(NH3)(COO)(H)	N(CCCH)(H)3	H(CCCN)	C(CBrHH)(NH3)(COO)(H)	N(CCCH)(H)3	H(CCCN)	107.7800	0.000	1	107.7800	0.000	1	108.3737	1.459	813	108.3752	1.453	817	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:3:1:	4:1:1:1:	4:	C-4:N-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCCH)(NH3)(CNO)(H)	N(CCCH)(H)3	H(CCCN)	C(CCCH)(NH3)(CNO)(H)	N(CCCH)(H)3	H(CCCN)	109.0225	0.640	11	109.0225	0.410	11	108.3737	1.459	813	108.3752	1.453	817	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:3:1:	4:1:1:1:	4:	C-4:N-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCCH)(NH3)(COO)(H)	N(CCCH)(H)3	H(CCCN)	C(CCCH)(NH3)(COO)(H)	N(CCCH)(H)3	H(CCCN)	108.3279	0.733	60	108.3279	0.538	60	108.3737	1.459	813	108.3752	1.453	817	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:3:1:	4:1:1:1:	4:	C-4:N-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCCO)(NH3)(COO)(H)	N(CCCH)(H)3	H(CCCN)	C(CCCO)(NH3)(COO)(H)	N(CCCH)(H)3	H(CCCN)	107.5060	0.000	1	107.5060	0.000	1	108.3737	1.459	813	108.3752	1.453	817	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:3:1:	4:1:1:1:	4:	C-4:N-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCHH)(NH3)(CNO)(H)	N(CCCH)(H)3	H(CCCN)	C(CCHH)(NH3)(CNO)(H)	N(CCCH)(H)3	H(CCCN)	109.1273	1.164	35	109.1273	1.355	35	108.3737	1.459	813	108.3752	1.453	817	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:3:1:	4:1:1:1:	4:	C-4:N-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCHH)(NH3)(COO)(H)	N(CCCH)(H)3	H(CCCN)	C(CCHH)(NH3)(COO)(H)	N(CCCH)(H)3	H(CCCN)	108.3870	1.255	240	108.3870	1.576	240	108.3737	1.459	813	108.3752	1.453	817	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:3:1:	4:1:1:1:	4:	C-4:N-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCHO)(NH3)(CNO)(H)	N(CCCH)(H)3	H(CCCN)	C(CCHO)(NH3)(CNO)(H)	N(CCCH)(H)3	H(CCCN)	109.2390	0.000	1	109.2390	0.000	1	108.3737	1.459	813	108.3752	1.453	817	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:3:1:	4:1:1:1:	4:	C-4:N-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCHO)(NH3)(COO)(H)	N(CCCH)(H)3	H(CCCN)	C(CCHO)(NH3)(COO)(H)	N(CCCH)(H)3	H(CCCN)	108.6392	0.866	31	108.6392	0.750	31	108.3737	1.459	813	108.3752	1.453	817	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:3:1:	4:1:1:1:	4:	C-4:N-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[5]HH)(NH3)(COO)(H)	N(CCCH)(H)3	H(CCCN)	C(CC[5]HH)(NH3)(COO)(H)	N(CCCH)(H)3	H(CCCN)	108.0188	1.506	38	108.0188	2.269	38	108.3737	1.459	813	108.3752	1.453	817	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:3:1:	4:1:1:1:	4:	C-4:N-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[5a]HH)(NH3)(CNO)(H)	N(CCCH)(H)3	H(CCCN)	C(CC[5a]HH)(NH3)(CNO)(H)	N(CCCH)(H)3	H(CCCN)	105.7590	5.569	4	105.7590	31.016	4	108.3737	1.459	813	108.3752	1.453	817	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:3:1:	4:1:1:1:	4:	C-4:N-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[5a]HH)(NH3)(COO)(H)	N(CCCH)(H)3	H(CCCN)	C(CC[5a]HH)(NH3)(COO)(H)	N(CCCH)(H)3	H(CCCN)	108.4045	0.955	36	108.4045	0.913	36	108.3737	1.459	813	108.3752	1.453	817	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:3:1:	4:1:1:1:	4:	C-4:N-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6]HH)(NH3)(COO)(H)	N(CCCH)(H)3	H(CCCN)	C(CC[6]HH)(NH3)(COO)(H)	N(CCCH)(H)3	H(CCCN)	108.0960	0.000	1	108.0960	0.000	1	108.3737	1.459	813	108.3752	1.453	817	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:3:1:	4:1:1:1:	4:	C-4:N-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]2H)(NH3)(CNO)(H)	N(CCCH)(H)3	H(CCCN)	C(CC[6a]2H)(NH3)(CNO)(H)	N(CCCH)(H)3	H(CCCN)	109.6600	0.000	1	109.6600	0.000	1	108.3737	1.459	813	108.3752	1.453	817	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:3:1:	4:1:1:1:	4:	C-4:N-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]HH)(NH3)(CNO)(H)	N(CCCH)(H)3	H(CCCN)	C(CC[6a]HH)(NH3)(CNO)(H)	N(CCCH)(H)3	H(CCCN)	109.0448	1.356	16	109.0448	1.838	16	108.3737	1.459	813	108.3752	1.453	817	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:3:1:	4:1:1:1:	4:	C-4:N-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]HH)(NH3)(COO)(H)	N(CCCH)(H)3	H(CCCN)	C(CC[6a]HH)(NH3)(COO)(H)	N(CCCH)(H)3	H(CCCN)	108.5470	0.913	101	108.5470	0.833	101	108.3737	1.459	813	108.3752	1.453	817	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:3:1:	4:1:1:1:	4:	C-4:N-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]HO)(NH3)(CNO)(H)	N(CCCH)(H)3	H(CCCN)	C(CC[6a]HO)(NH3)(CNO)(H)	N(CCCH)(H)3	H(CCCN)	109.2720	0.000	1	109.2720	0.000	1	108.3737	1.459	813	108.3752	1.453	817	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:3:1:	4:1:1:1:	4:	C-4:N-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]HO)(NH3)(COO)(H)	N(CCCH)(H)3	H(CCCN)	C(CC[6a]HO)(NH3)(COO)(H)	N(CCCH)(H)3	H(CCCN)	107.3315	3.719	2	107.3315	13.829	2	108.3737	1.459	813	108.3752	1.453	817	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:3:1:	4:1:1:1:	4:	C-4:N-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(NH3)(CNO)(H)	N(CCCH)(H)3	H(CCCN)	C(CH3)(NH3)(CNO)(H)	N(CCCH)(H)3	H(CCCN)	108.5288	1.617	28	108.5288	2.613	28	108.3737	1.459	813	108.3752	1.453	817	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:3:1:	4:1:1:1:	4:	C-4:N-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(NH3)(COO)(H)	N(CCCH)(H)3	H(CCCN)	C(CH3)(NH3)(COO)(H)	N(CCCH)(H)3	H(CCCN)	108.2466	1.044	83	108.2466	1.090	83	108.3737	1.459	813	108.3752	1.453	817	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:3:1:	4:1:1:1:	4:	C-4:N-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CHHO)(NH3)(CNO)(H)	N(CCCH)(H)3	H(CCCN)	C(CHHO)(NH3)(CNO)(H)	N(CCCH)(H)3	H(CCCN)	108.7613	1.231	7	108.7613	1.515	7	108.3737	1.459	813	108.3752	1.453	817	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:3:1:	4:1:1:1:	4:	C-4:N-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CHHO)(NH3)(COO)(H)	N(CCCH)(H)3	H(CCCN)	C(CHHO)(NH3)(COO)(H)	N(CCCH)(H)3	H(CCCN)	108.1289	0.895	62	108.1289	0.802	62	108.3737	1.459	813	108.3752	1.453	817	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:3:1:	4:1:1:1:	4:	C-4:N-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CHHP)(NH3)(COO)(H)	N(CCCH)(H)3	H(CCCN)	C(CHHP)(NH3)(COO)(H)	N(CCCH)(H)3	H(CCCN)	105.5900	0.000	1	105.5900	0.000	1	108.3737	1.459	813	108.3752	1.453	817	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:3:1:	4:1:1:1:	4:	C-4:N-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CHHS)(NH3)(COO)(H)	N(CCCH)(H)3	H(CCCN)	C(CHHS)(NH3)(COO)(H)	N(CCCH)(H)3	H(CCCN)	107.8856	0.993	51	107.8856	0.986	51	108.3737	1.459	813	108.3752	1.453	817	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:3:1:	4:1:1:1:	4:	C-4:N-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CSeHH)(NH3)(COO)(H)	N(CCCH)(H)3	H(CCCN)	C(CSeHH)(NH3)(COO)(H)	N(CCCH)(H)3	H(CCCN)	107.9060	0.000	1	107.9060	0.000	1	108.3737	1.459	813	108.3752	1.453	817	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:3:1:	4:1:1:1:	4:	C[3]-4:N-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[3]C[3]2H)(NH3)(COO)(H)	N(CC[3]CH)(H)3	H(CC[3]CN)	C(C[3]C[3]2H)(NH3)(COO)(H)	N(CC[3]CH)(H)3	H(CC[3]CN)	108.2000	0.000	1	108.2000	0.000	1	108.2000	0.000	1	108.3752	1.453	817	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:3:1:	4:1:1:1:	4:	C[5]-4:N-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]2Mn)(NH3)(COO)(H)	N(CC[5]CH)(H)3	H(CC[5]CN)	C(C[5]C[5]2Mn)(NH3)(COO)(H)	N(CC[5]CH)(H)3	H(CC[5]CN)	108.8430	0.000	1	108.8430	0.000	1	108.8165	0.001	2	108.3752	1.453	817	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:3:1:	4:1:1:1:	4:	C[5]-4:N-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]2Re)(NH3)(COO)(H)	N(CC[5]CH)(H)3	H(CC[5]CN)	C(C[5]C[5]2Re)(NH3)(COO)(H)	N(CC[5]CH)(H)3	H(CC[5]CN)	108.7900	0.000	1	108.7900	0.000	1	108.8165	0.001	2	108.3752	1.453	817	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:3:1:	4:1:1:1:	4:	C[6]-4:N-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]O[6]H)(NH3)(COO)(H)	N(CC[6]CH)(H)3	H(CC[6]CN)	C(C[6]C[6]O[6]H)(NH3)(COO)(H)	N(CC[6]CH)(H)3	H(CC[6]CN)	108.8900	0.000	1	108.8900	0.000	1	108.8900	0.000	1	108.3752	1.453	817	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:3:1:	4:4:1:1:	4:	C-4:N-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCCH)(NCHH)(CNO)(H)	N(CCCH)(CH3)(H)2	H(CCCN)	C(CCCH)(NCHH)(CNO)(H)	N(CCCH)(CH3)(H)2	H(CCCN)	109.4570	0.000	1	109.4570	0.000	1	108.5542	1.087	32	108.5152	1.644	54	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:3:1:	4:4:1:1:	4:	C-4:N-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCCH)(NCHH)(COO)(H)	N(CCCH)(CCHH)(H)2	H(CCCN)	C(CCCH)(NCHH)(COO)(H)	N(CCCH)(CCHH)(H)2	H(CCCN)	107.8800	0.000	1	107.8800	0.000	1	108.5542	1.087	32	108.5152	1.644	54	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:3:1:	4:4:1:1:	4:	C-4:N-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCCH)(NCHH)(COO)(H)	N(CCCH)2(H)2	H(CCCN)	C(CCCH)(NCHH)(COO)(H)	N(CCCH)2(H)2	H(CCCN)	108.2340	0.086	2	108.2340	0.007	2	108.5542	1.087	32	108.5152	1.644	54	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:3:1:	4:4:1:1:	4:	C-4:N-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCCH)(NCHH)(COO)(H)	N(CC[6a]HH)(CCCH)(H)2	H(CCCN)	C(CCCH)(NCHH)(COO)(H)	N(CC[6a]HH)(CCCH)(H)2	H(CCCN)	107.8597	0.418	4	107.8597	0.174	4	108.5542	1.087	32	108.5152	1.644	54	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:3:1:	4:4:1:1:	4:	C-4:N-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCCS)(NCHH)(COO)(H)	N(CC[6a]HH)(CCCH)(H)2	H(CCCN)	C(CCCS)(NCHH)(COO)(H)	N(CC[6a]HH)(CCCH)(H)2	H(CCCN)	107.6215	0.298	2	107.6215	0.089	2	108.5542	1.087	32	108.5152	1.644	54	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:3:1:	4:4:1:1:	4:	C-4:N-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCHH)(CNO)(H)	N(CCCH)(CCHH)(H)2	H(CCCN)	C(CCHH)(NCHH)(CNO)(H)	N(CCCH)(CCHH)(H)2	H(CCCN)	109.5365	0.730	4	109.5365	0.533	4	108.5542	1.087	32	108.5152	1.644	54	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:3:1:	4:4:1:1:	4:	C-4:N-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCHH)(CNO)(H)	N(CCCH)(CH3)(H)2	H(CCCN)	C(CCHH)(NCHH)(CNO)(H)	N(CCCH)(CH3)(H)2	H(CCCN)	109.5480	0.000	1	109.5480	0.000	1	108.5542	1.087	32	108.5152	1.644	54	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:3:1:	4:4:1:1:	4:	C-4:N-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCHH)(COO)(H)	N(CCCH)(CH3)(H)2	H(CCCN)	C(CCHH)(NCHH)(COO)(H)	N(CCCH)(CH3)(H)2	H(CCCN)	106.3530	0.000	1	106.3530	0.000	1	108.5542	1.087	32	108.5152	1.644	54	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:3:1:	4:4:1:1:	4:	C-4:N-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCHH)(COO)(H)	N(CCCH)2(H)2	H(CCCN)	C(CCHH)(NCHH)(COO)(H)	N(CCCH)2(H)2	H(CCCN)	109.0123	1.016	6	109.0123	1.033	6	108.5542	1.087	32	108.5152	1.644	54	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:3:1:	4:4:1:1:	4:	C-4:N-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCHH)(COO)(H)	N(CC[6a]HH)(CCCH)(H)2	H(CCCN)	C(CCHH)(NCHH)(COO)(H)	N(CC[6a]HH)(CCCH)(H)2	H(CCCN)	107.9490	1.489	3	107.9490	2.216	3	108.5542	1.087	32	108.5152	1.644	54	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:3:1:	4:4:1:1:	4:	C-4:N-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHO)(NCHH)(CCH)(H)	N(CCCH)2(H)2	H(CCCN)	C(CCHO)(NCHH)(CCH)(H)	N(CCCH)2(H)2	H(CCCN)	107.4610	0.000	1	107.4610	0.000	1	108.5542	1.087	32	108.5152	1.644	54	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:3:1:	4:4:1:1:	4:	C-4:N-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(NCHH)(COO)(H)	N(CC[6a]CH)(CCCH)(H)2	H(CCCN)	C(CC[5a]HH)(NCHH)(COO)(H)	N(CC[6a]CH)(CCCH)(H)2	H(CCCN)	108.5460	0.000	1	108.5460	0.000	1	108.5542	1.087	32	108.5152	1.644	54	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:3:1:	4:4:1:1:	4:	C-4:N-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(NCHH)(COO)(H)	N(CCCH)(CCHH)(H)2	H(CCCN)	C(CC[6a]HH)(NCHH)(COO)(H)	N(CCCH)(CCHH)(H)2	H(CCCN)	108.5585	0.763	2	108.5585	0.582	2	108.5542	1.087	32	108.5152	1.644	54	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:3:1:	4:4:1:1:	4:	C-4:N-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(NCHH)(COO)(H)	N(CCCH)2(H)2	H(CCCN)	C(CC[6a]HH)(NCHH)(COO)(H)	N(CCCH)2(H)2	H(CCCN)	109.7575	0.097	2	109.7575	0.009	2	108.5542	1.087	32	108.5152	1.644	54	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:3:1:	4:4:1:1:	4:	C-4:N-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CHHO)(NCHH)(COO)(H)	N(CC[6a]HH)(CCCH)(H)2	H(CCCN)	C(CHHO)(NCHH)(COO)(H)	N(CC[6a]HH)(CCCH)(H)2	H(CCCN)	108.6390	0.000	1	108.6390	0.000	1	108.5542	1.087	32	108.5152	1.644	54	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:3:1:	4:4:1:1:	4:	C[3]-4:N-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[3]C[3]2H)(NCHH)(CCH)(H)	N(CC[6a]HH)(CC[3]CH)(H)2	H(CC[3]CN)	C(C[3]C[3]2H)(NCHH)(CCH)(H)	N(CC[6a]HH)(CC[3]CH)(H)2	H(CC[3]CN)	107.4900	0.684	2	107.4900	0.469	2	107.4900	0.469	2	108.5152	1.644	54	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:3:1:	4:4:1:1:	4:	N-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NCHH)(CH3)(CCH)(H)	N(CCCH)(CH3)(H)2	H(CCCN)	C(NCHH)(CH3)(CCH)(H)	N(CCCH)(CH3)(H)2	H(CCCN)	108.3367	0.069	4	108.3367	0.005	4	108.5808	2.807	19	108.5152	1.644	54	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:3:1:	4:4:1:1:	4:	N-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NCHH)(CH3)(CCH)(H)	N(CCCH)2(H)2	H(CCCN)	C(NCHH)(CH3)(CCH)(H)	N(CCCH)2(H)2	H(CCCN)	102.1030	0.000	1	102.1030	0.000	1	108.5808	2.807	19	108.5152	1.644	54	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:3:1:	4:4:1:1:	4:	N-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NCHH)(CH3)(COO)(H)	N(CCCH)(CHHP)(H)2	H(CCCN)	C(NCHH)(CH3)(COO)(H)	N(CCCH)(CHHP)(H)2	H(CCCN)	109.3209	0.612	8	109.3209	0.375	8	108.5808	2.807	19	108.5152	1.644	54	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:3:1:	4:4:1:1:	4:	N-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NCHH)(CH3)(COO)(H)	N(CC[5a]HH)(CCCH)(H)2	H(CCCN)	C(NCHH)(CH3)(COO)(H)	N(CC[5a]HH)(CCCH)(H)2	H(CCCN)	108.3230	0.215	2	108.3230	0.046	2	108.5808	2.807	19	108.5152	1.644	54	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:3:1:	4:4:1:1:	4:	N-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NCHH)(CH3)(COO)(H)	N(CC[6a]HH)(CCCH)(H)2	H(CCCN)	C(NCHH)(CH3)(COO)(H)	N(CC[6a]HH)(CCCH)(H)2	H(CCCN)	109.0932	0.152	4	109.0932	0.023	4	108.5808	2.807	19	108.5152	1.644	54	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:3:1:	4:4:1:1:	4:	N-4:C-4:C-3:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(NC[5]HH)(CCCH)(COO)(H)	N(C[5]C[5]2H)(CCCH)(H)2	H(CCCN)	C(NC[5]HH)(CCCH)(COO)(H)	N(C[5]C[5]2H)(CCCH)(H)2	H(CCCN)	108.0720	0.000	1	108.0720	0.000	1	108.0720	0.000	1	108.5152	1.644	54	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:3:1:	4:4:4:1:	4:	C-4:N-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCHH)(NCCH)(CCH)(H)	N(CC[6a]HH)2(CCCH)(H)	H(CCCN)	C(CCHH)(NCCH)(CCH)(H)	N(CC[6a]HH)2(CCCH)(H)	H(CCCN)	106.1570	1.075	3	106.1570	1.155	3	106.5427	1.365	4	106.5427	1.365	4	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:3:1:	4:4:4:1:	4:	C-4:N-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CC[6a]HH)(NCCH)(CClO)(H)	N(CCCH)(CH3)2(H)	H(CCCN)	C(CC[6a]HH)(NCCH)(CClO)(H)	N(CCCH)(CH3)2(H)	H(CCCN)	107.7000	0.000	1	107.7000	0.000	1	106.5427	1.365	4	106.5427	1.365	4	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:4:1:	3:4:1:1:	4:	C-4:N-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]CH)(NC[6a]HH)(CH3)(H)	N(C[6a]C[6a]2)(CCCH)(H)2	H(CCCN)	C(CC[6a]CH)(NC[6a]HH)(CH3)(H)	N(C[6a]C[6a]2)(CCCH)(H)2	H(CCCN)	105.9630	0.000	1	105.9630	0.000	1	105.9630	0.000	1	107.1713	1.131	3	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:4:1:	3:4:1:1:	4:	C[5]-4:N-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[5]C[5,6a]C[5]H)(NC[6a]HH)(CH3)(H)	N(C[6a]C[6a]2)(CC[5]CH)(H)2	H(CC[5]CN)	C(C[5]C[5,6a]C[5]H)(NC[6a]HH)(CH3)(H)	N(C[6a]C[6a]2)(CC[5]CH)(H)2	H(CC[5]CN)	107.9660	0.000	1	107.9660	0.000	1	107.9660	0.000	1	107.1713	1.131	3	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:4:1:	3:4:1:1:	4:	N-4:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(NC[6a]HH)(CCCH)(CH3)(H)	N(C[6a]C[6a]2)(CCCH)(H)2	H(CCCN)	C(NC[6a]HH)(CCCH)(CH3)(H)	N(C[6a]C[6a]2)(CCCH)(H)2	H(CCCN)	107.5850	0.000	1	107.5850	0.000	1	107.5850	0.000	1	107.1713	1.131	3	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:4:1:	3:4:4:1:	4:	N-4:C-4:C-4:H-1:	C[6a]-3:B-4:C-4:H-1:	C-4:	C(NC[6a]BH)(CH3)2(H)	N(C[6a]C[6a]2)(BC[6a]3)(CCCH)(H)	H(CCCN)	C(NC[6a]BH)(CH3)2(H)	N(C[6a]C[6a]2)(BC[6a]3)(CCCH)(H)	H(CCCN)	107.8790	0.008	2	107.8790	0.000	2	107.8790	0.000	2	107.2938	0.406	6	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:4:1:	3:4:4:1:	4:	N-4:C-4:C-4:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(NC[6a]CH)(CCHH)(CH3)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(CCCH)(H)	H(CCCN)	C(NC[6a]CH)(CCHH)(CH3)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(CCCH)(H)	H(CCCN)	106.5010	0.000	2	106.5010	0.000	2	107.0012	0.334	4	107.2938	0.406	6	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:4:1:	3:4:4:1:	4:	N-4:C-4:C-4:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(NC[6a]CH)(CH3)2(H)	N(C[6a]C[6a]2)(CCCH)(CH3)(H)	H(CCCN)	C(NC[6a]CH)(CH3)2(H)	N(C[6a]C[6a]2)(CCCH)(CH3)(H)	H(CCCN)	107.5015	0.019	2	107.5015	0.000	2	107.0012	0.334	4	107.2938	0.406	6	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:N-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCCH)(CCHH)(NH3)(H)	N(CCCH)(H)3	H(CCCN)	C(CCCH)(CCHH)(NH3)(H)	N(CCCH)(H)3	H(CCCN)	107.0915	0.114	2	107.0915	0.013	2	107.5806	9.428	153	107.5280	8.953	163	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:N-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCCH)(CH3)(NH3)(H)	N(CCCH)(H)3	H(CCCN)	C(CCCH)(CH3)(NH3)(H)	N(CCCH)(H)3	H(CCCN)	107.4275	0.062	2	107.4275	0.004	2	107.5806	9.428	153	107.5280	8.953	163	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:N-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCCH)(CHHO)(NH3)(H)	N(CCCH)(H)3	H(CCCN)	C(CCCH)(CHHO)(NH3)(H)	N(CCCH)(H)3	H(CCCN)	106.5570	0.000	1	106.5570	0.000	1	107.5806	9.428	153	107.5280	8.953	163	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:N-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCHH)(CF3)(NH3)(H)	N(CCCH)(H)3	H(CCCN)	C(CCHH)(CF3)(NH3)(H)	N(CCCH)(H)3	H(CCCN)	107.9450	0.000	1	107.9450	0.000	1	107.5806	9.428	153	107.5280	8.953	163	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:N-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCHH)(CFHP)(NH3)(H)	N(CCCH)(H)3	H(CCCN)	C(CCHH)(CFHP)(NH3)(H)	N(CCCH)(H)3	H(CCCN)	107.8750	0.000	1	107.8750	0.000	1	107.5806	9.428	153	107.5280	8.953	163	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:N-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCHH)(CH3)(NH3)(H)	N(CCCH)(H)3	H(CCCN)	C(CCHH)(CH3)(NH3)(H)	N(CCCH)(H)3	H(CCCN)	107.5780	2.231	10	107.5780	4.975	10	107.5806	9.428	153	107.5280	8.953	163	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:N-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCHH)(CHHO)(NH3)(H)	N(CCCH)(H)3	H(CCCN)	C(CCHH)(CHHO)(NH3)(H)	N(CCCH)(H)3	H(CCCN)	108.0810	0.547	2	108.0810	0.300	2	107.5806	9.428	153	107.5280	8.953	163	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:N-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCHH)(CHOO)(NH3)(H)	N(CCCH)(H)3	H(CCCN)	C(CCHH)(CHOO)(NH3)(H)	N(CCCH)(H)3	H(CCCN)	108.3090	1.668	4	108.3090	2.783	4	107.5806	9.428	153	107.5280	8.953	163	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:N-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCHH)2(NH3)(H)	N(CCCH)(H)3	H(CCCN)	C(CCHH)2(NH3)(H)	N(CCCH)(H)3	H(CCCN)	106.4744	4.062	50	106.4744	16.496	50	107.5806	9.428	153	107.5280	8.953	163	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:N-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCHN)(CHHN)(NH3)(H)	N(CCCH)(H)3	H(CCCN)	C(CCHN)(CHHN)(NH3)(H)	N(CCCH)(H)3	H(CCCN)	108.2740	1.515	2	108.2740	2.294	2	107.5806	9.428	153	107.5280	8.953	163	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:N-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCHN)2(NH3)(H)	N(CCCH)(H)3	H(CCCN)	C(CCHN)2(NH3)(H)	N(CCCH)(H)3	H(CCCN)	106.9580	0.000	1	106.9580	0.000	1	107.5806	9.428	153	107.5280	8.953	163	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:N-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[5]HH)(CHHO)(NH3)(H)	N(CCCH)(H)3	H(CCCN)	C(CC[5]HH)(CHHO)(NH3)(H)	N(CCCH)(H)3	H(CCCN)	107.3362	1.628	6	107.3362	2.649	6	107.5806	9.428	153	107.5280	8.953	163	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:N-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[5a]HH)(CHHO)(NH3)(H)	N(CCCH)(H)3	H(CCCN)	C(CC[5a]HH)(CHHO)(NH3)(H)	N(CCCH)(H)3	H(CCCN)	102.5340	0.000	1	102.5340	0.000	1	107.5806	9.428	153	107.5280	8.953	163	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:N-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]CH)(CH3)(NH3)(H)	N(CCCH)(H)3	H(CCCN)	C(CC[6a]CH)(CH3)(NH3)(H)	N(CCCH)(H)3	H(CCCN)	109.6150	0.000	1	109.6150	0.000	1	107.5806	9.428	153	107.5280	8.953	163	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:N-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHH)(NH3)(H)	N(CCCH)(H)3	H(CCCN)	C(CC[6a]HH)(CCHH)(NH3)(H)	N(CCCH)(H)3	H(CCCN)	107.8632	0.450	4	107.8632	0.203	4	107.5806	9.428	153	107.5280	8.953	163	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:N-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]HH)(CH3)(NH3)(H)	N(CCCH)(H)3	H(CCCN)	C(CC[6a]HH)(CH3)(NH3)(H)	N(CCCH)(H)3	H(CCCN)	108.8686	1.879	14	108.8686	3.531	14	107.5806	9.428	153	107.5280	8.953	163	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:N-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]HO)(CH3)(NH3)(H)	N(CCCH)(H)3	H(CCCN)	C(CC[6a]HO)(CH3)(NH3)(H)	N(CCCH)(H)3	H(CCCN)	108.0530	0.000	1	108.0530	0.000	1	107.5806	9.428	153	107.5280	8.953	163	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:N-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)2(NH3)(H)	N(CCCH)(H)3	H(CCCN)	C(CH3)2(NH3)(H)	N(CCCH)(H)3	H(CCCN)	108.5566	3.142	16	108.5566	9.874	16	107.5806	9.428	153	107.5280	8.953	163	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:N-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CHHN)(CH3)(NH3)(H)	N(CCCH)(H)3	H(CCCN)	C(CHHN)(CH3)(NH3)(H)	N(CCCH)(H)3	H(CCCN)	108.2342	2.742	29	108.2342	7.518	29	107.5806	9.428	153	107.5280	8.953	163	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:N-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CHHO)(CH3)(NH3)(H)	N(CCCH)(H)3	H(CCCN)	C(CHHO)(CH3)(NH3)(H)	N(CCCH)(H)3	H(CCCN)	108.4785	0.610	2	108.4785	0.372	2	107.5806	9.428	153	107.5280	8.953	163	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:N-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CHHP)(CC3)(NH3)(H)	N(CCCH)(H)3	H(CCCN)	C(CHHP)(CC3)(NH3)(H)	N(CCCH)(H)3	H(CCCN)	107.9360	0.000	1	107.9360	0.000	1	107.5806	9.428	153	107.5280	8.953	163	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:N-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CN[6]HH)(CCCH)(NH3)(H)	N(CCCH)(H)3	H(CCCN)	C(CN[6]HH)(CCCH)(NH3)(H)	N(CCCH)(H)3	H(CCCN)	107.5700	0.000	1	107.5700	0.000	1	107.5806	9.428	153	107.5280	8.953	163	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:N-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CNiOO)(CCHH)(NH3)(H)	N(CCCH)(H)3	H(CCCN)	C(CNiOO)(CCHH)(NH3)(H)	N(CCCH)(H)3	H(CCCN)	108.0170	0.000	1	108.0170	0.000	1	107.5806	9.428	153	107.5280	8.953	163	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:4:1:	4:1:1:1:	4:	C-4:N-4:P-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCHH)(NH3)(PO3)(H)	N(CCHP)(H)3	H(CCNP)	C(CCHH)(NH3)(PO3)(H)	N(CCHP)(H)3	H(CCNP)	107.1760	0.361	2	107.1760	0.130	2	107.2487	0.081	3	107.5280	8.953	163	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:4:1:	4:1:1:1:	4:	C-4:N-4:P-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(NH3)(PO3)(H)	N(CCHP)(H)3	H(CCNP)	C(CH3)(NH3)(PO3)(H)	N(CCHP)(H)3	H(CCNP)	107.3940	0.000	1	107.3940	0.000	1	107.2487	0.081	3	107.5280	8.953	163	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:4:1:	4:1:1:1:	4:	C[3x6]-4:C-4:N-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[3x6]C[6,6]3)(CCHO)(NH3)(H)	N(CC[3x6]CH)(H)3	H(CC[3x6]CN)	C(C[3x6]C[6,6]3)(CCHO)(NH3)(H)	N(CC[3x6]CH)(H)3	H(CC[3x6]CN)	105.5170	0.000	1	105.5170	0.000	1	105.5170	0.000	1	107.5280	8.953	163	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C-4:N-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]2H)(CC[6]HN)(NH3)(H)	N(CC[6]CH)(H)3	H(CC[6]CN)	C(C[6]C[6]2H)(CC[6]HN)(NH3)(H)	N(CC[6]CH)(H)3	H(CC[6]CN)	106.3060	0.000	1	106.3060	0.000	1	106.6617	1.611	6	107.5280	8.953	163	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C-4:N-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]2H)(CH3)(NH3)(H)	N(CC[6]CH)(H)3	H(CC[6]CN)	C(C[6]C[6]2H)(CH3)(NH3)(H)	N(CC[6]CH)(H)3	H(CC[6]CN)	107.2885	0.758	4	107.2885	0.575	4	106.6617	1.611	6	107.5280	8.953	163	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C-4:N-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]O[6]H)(CH3)(NH3)(H)	N(CC[6]CH)(H)3	H(CC[6]CN)	C(C[6]C[6]O[6]H)(CH3)(NH3)(H)	N(CC[6]CH)(H)3	H(CC[6]CN)	104.5100	0.000	1	104.5100	0.000	1	106.6617	1.611	6	107.5280	8.953	163	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:4:1:	4:3:1:1:	4:	C-4:C-4:N-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCCH)(CHHN)(NCHH)(H)	N(CCCH)(CNO)(H)2	H(CCCN)	C(CCCH)(CHHN)(NCHH)(H)	N(CCCH)(CNO)(H)2	H(CCCN)	108.7290	0.000	1	108.7290	0.000	1	108.7290	0.000	1	107.1944	1.341	5	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:N-4:C-4:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(C[5]C[5,6a]C[5]F)(NHHS)(CF3)(H)	N(CC[5]CH)(SCO)(H)2	H(CC[5]CN)	C(C[5]C[5,6a]C[5]F)(NHHS)(CF3)(H)	N(CC[5]CH)(SCO)(H)2	H(CC[5]CN)	106.2700	0.533	2	106.2700	0.284	2	106.2700	0.284	2	107.1944	1.341	5	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:4:1:	4:3:1:1:	4:	N-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(NCHH)(CH3)2(H)	N(CCCH)(CCC)(H)2	H(CCCN)	C(NCHH)(CH3)2(H)	N(CCCH)(CCC)(H)2	H(CCCN)	107.3515	0.982	2	107.3515	0.965	2	107.3515	0.965	2	107.1944	1.341	5	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:N-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHO)(NCHH)(H)	N(CCCH)(CCHH)(H)2	H(CCCN)	C(CCHH)(CHHO)(NCHH)(H)	N(CCCH)(CCHH)(H)2	H(CCCN)	107.5050	1.989	7	107.5050	3.955	7	107.3433	3.275	13	107.9278	2.351	289	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:N-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(NCHH)(H)	N(CCCH)(CHPP)(H)2	H(CCCN)	C(CCHH)2(NCHH)(H)	N(CCCH)(CHPP)(H)2	H(CCCN)	108.2920	0.728	2	108.2920	0.530	2	107.3433	3.275	13	107.9278	2.351	289	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:N-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]CH)(CCHH)(NCHH)(H)	N(CC[6a]HH)(CCCH)(H)2	H(CCCN)	C(CC[6a]CH)(CCHH)(NCHH)(H)	N(CC[6a]HH)(CCCH)(H)2	H(CCCN)	107.8620	0.000	1	107.8620	0.000	1	107.3433	3.275	13	107.9278	2.351	289	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:N-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHH)(NCHH)(H)	N(CCCH)(CCHH)(H)2	H(CCCN)	C(CC[6a]HH)(CCHH)(NCHH)(H)	N(CCCH)(CCHH)(H)2	H(CCCN)	105.3410	2.135	2	105.3410	4.560	2	107.3433	3.275	13	107.9278	2.351	289	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:N-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CHHO)(NCHH)(H)	N(CC[5]HH)(CCCH)(H)2	H(CCCN)	C(CC[6a]HH)(CHHO)(NCHH)(H)	N(CC[5]HH)(CCCH)(H)2	H(CCCN)	107.8000	0.000	1	107.8000	0.000	1	107.3433	3.275	13	107.9278	2.351	289	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:4:1:	4:4:1:1:	4:	C-4:N-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCHH)(CH3)(H)	N(CCCH)(CCHH)(H)2	H(CCCN)	C(CCHH)(NCHH)(CH3)(H)	N(CCCH)(CCHH)(H)2	H(CCCN)	108.4947	0.298	15	108.4947	0.089	15	107.6634	3.961	79	107.9278	2.351	289	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:4:1:	4:4:1:1:	4:	C-4:N-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCHH)(CH3)(H)	N(CCCH)2(H)2	H(CCCN)	C(CCHH)(NCHH)(CH3)(H)	N(CCCH)2(H)2	H(CCCN)	108.7185	0.610	2	108.7185	0.372	2	107.6634	3.961	79	107.9278	2.351	289	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:4:1:	4:4:1:1:	4:	C-4:N-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6]HO)(NCHH)(CH3)(H)	N(CCCH)(CH3)(H)2	H(CCCN)	C(CC[6]HO)(NCHH)(CH3)(H)	N(CCCH)(CH3)(H)2	H(CCCN)	105.9440	3.543	2	105.9440	12.550	2	107.6634	3.961	79	107.9278	2.351	289	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:4:1:	4:4:1:1:	4:	C-4:N-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(NCHH)(CH3)(H)	N(CCCH)(CCHH)(H)2	H(CCCN)	C(CC[6a]HH)(NCHH)(CH3)(H)	N(CCCH)(CCHH)(H)2	H(CCCN)	108.0084	0.879	5	108.0084	0.773	5	107.6634	3.961	79	107.9278	2.351	289	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:4:1:	4:4:1:1:	4:	C-4:N-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(NCHH)(CH3)(H)	N(CCCH)(CH3)(H)2	H(CCCN)	C(CC[6a]HH)(NCHH)(CH3)(H)	N(CCCH)(CH3)(H)2	H(CCCN)	107.1233	2.639	3	107.1233	6.966	3	107.6634	3.961	79	107.9278	2.351	289	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:4:1:	4:4:1:1:	4:	C-4:N-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HO)(NCHH)(CH3)(H)	N(CCCH)(CH3)(H)2	H(CCCN)	C(CC[6a]HO)(NCHH)(CH3)(H)	N(CCCH)(CH3)(H)2	H(CCCN)	107.0479	2.467	38	107.0479	6.085	38	107.6634	3.961	79	107.9278	2.351	289	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:4:1:	4:4:1:1:	4:	C-4:N-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HO)(NCHH)(CH3)(H)	N(CCCH)2(H)2	H(CCCN)	C(CC[6a]HO)(NCHH)(CH3)(H)	N(CCCH)2(H)2	H(CCCN)	109.2320	0.000	1	109.2320	0.000	1	107.6634	3.961	79	107.9278	2.351	289	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:4:1:	4:4:1:1:	4:	C-4:N-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NCHH)(CH3)(H)	N(CCCH)(CCHH)(H)2	H(CCCN)	C(CHHN)(NCHH)(CH3)(H)	N(CCCH)(CCHH)(H)2	H(CCCN)	108.3763	0.994	6	108.3763	0.987	6	107.6634	3.961	79	107.9278	2.351	289	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:4:1:	4:4:1:1:	4:	C-4:N-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CHHO)(NCHH)(CH3)(H)	N(CCCH)(CCHH)(H)2	H(CCCN)	C(CHHO)(NCHH)(CH3)(H)	N(CCCH)(CCHH)(H)2	H(CCCN)	108.4517	0.563	6	108.4517	0.317	6	107.6634	3.961	79	107.9278	2.351	289	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:4:1:	4:4:1:1:	4:	C-4:N-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CHHO)(NCHH)(CH3)(H)	N(CCCH)2(H)2	H(CCCN)	C(CHHO)(NCHH)(CH3)(H)	N(CCCH)2(H)2	H(CCCN)	109.2300	0.000	1	109.2300	0.000	1	107.6634	3.961	79	107.9278	2.351	289	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:4:1:	4:4:1:1:	4:	C-4:N-4:P-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCHH)(PO3)(H)	N(CCHH)(CCHP)(H)2	H(CCNP)	C(CCHH)(NCHH)(PO3)(H)	N(CCHH)(CCHP)(H)2	H(CCNP)	106.8320	0.000	1	106.8320	0.000	1	106.8320	0.000	1	107.9278	2.351	289	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C-4:N-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHH)(NCHH)(H)	N(CC[6a]HH)(CC[5]CH)(H)2	H(CC[5]CN)	C(C[5]C[5]O[5]H)(CCHH)(NCHH)(H)	N(CC[6a]HH)(CC[5]CH)(H)2	H(CC[5]CN)	108.6237	1.180	3	108.6237	1.392	3	108.6237	1.392	3	107.9278	2.351	289	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:N-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2Fe)(NCHH)(CH3)(H)	N(CC[5]CH)2(H)2	H(CC[5]CN)	C(C[5]C[5]2Fe)(NCHH)(CH3)(H)	N(CC[5]CH)2(H)2	H(CC[5]CN)	107.9215	0.680	2	107.9215	0.462	2	107.9215	0.462	2	107.9278	2.351	289	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:4:1:	4:4:1:1:	4:	N-4:C-4:C-4:H-1:	B-4:C-4:H-1:H-1:	C-4:	C(NBHH)(CH3)2(H)	N(BHHN)(CCCH)(H)2	H(CCCN)	C(NBHH)(CH3)2(H)	N(BHHN)(CCCH)(H)2	H(CCCN)	108.3660	0.000	1	108.3660	0.000	1	108.3660	0.000	1	107.9278	2.351	289	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:4:1:	4:4:1:1:	4:	N-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NCHH)(CH3)2(H)	N(CCCH)(CCHH)(H)2	H(CCCN)	C(NCHH)(CH3)2(H)	N(CCCH)(CCHH)(H)2	H(CCCN)	108.3193	0.539	27	108.3193	0.291	27	108.1133	1.552	179	107.9278	2.351	289	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:4:1:	4:4:1:1:	4:	N-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NCHH)(CH3)2(H)	N(CCCH)2(H)2	H(CCCN)	C(NCHH)(CH3)2(H)	N(CCCH)2(H)2	H(CCCN)	108.0544	1.379	139	108.0544	1.901	139	108.1133	1.552	179	107.9278	2.351	289	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:4:1:	4:4:1:1:	4:	N-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NCHH)(CH3)2(H)	N(CC[5a]HH)(CCCH)(H)2	H(CCCN)	C(NCHH)(CH3)2(H)	N(CC[5a]HH)(CCCH)(H)2	H(CCCN)	106.5090	0.000	1	106.5090	0.000	1	108.1133	1.552	179	107.9278	2.351	289	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:4:1:	4:4:1:1:	4:	N-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NCHH)(CH3)2(H)	N(CC[6a]HH)(CCCH)(H)2	H(CCCN)	C(NCHH)(CH3)2(H)	N(CC[6a]HH)(CCCH)(H)2	H(CCCN)	108.4657	0.259	12	108.4657	0.067	12	108.1133	1.552	179	107.9278	2.351	289	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:4:1:	4:4:1:1:	4:	N-4:C-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(NC[6]HH)(CCHH)(CH3)(H)	N(C[6]C[6]2H)(CCCH)(H)2	H(CCCN)	C(NC[6]HH)(CCHH)(CH3)(H)	N(C[6]C[6]2H)(CCCH)(H)2	H(CCCN)	109.0270	0.000	1	109.0270	0.000	1	108.3300	0.311	6	107.9278	2.351	289	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:4:1:	4:4:1:1:	4:	N-4:C-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(NC[6]HH)(CCHH)2(H)	N(C[6]C[6]2H)(CCCH)(H)2	H(CCCN)	C(NC[6]HH)(CCHH)2(H)	N(C[6]C[6]2H)(CCCH)(H)2	H(CCCN)	107.6530	0.008	2	107.6530	0.000	2	108.3300	0.311	6	107.9278	2.351	289	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:4:1:	4:4:1:1:	4:	N-4:C-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(NC[6]HH)(CH3)2(H)	N(C[6]C[6]2H)(CCCH)(H)2	H(CCCN)	C(NC[6]HH)(CH3)2(H)	N(C[6]C[6]2H)(CCCH)(H)2	H(CCCN)	108.5765	0.076	2	108.5765	0.006	2	108.3300	0.311	6	107.9278	2.351	289	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:4:1:	4:4:1:1:	4:	N-4:C-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(NC[6]HH)(CHHO)2(H)	N(C[6]C[6]2H)(CCCH)(H)2	H(CCCN)	C(NC[6]HH)(CHHO)2(H)	N(C[6]C[6]2H)(CCCH)(H)2	H(CCCN)	108.4940	0.000	1	108.4940	0.000	1	108.3300	0.311	6	107.9278	2.351	289	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:4:1:	4:4:1:1:	4:	N-4:P-4:P-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NCHH)(PO3)2(H)	N(CCCH)(CHPP)(H)2	H(CNPP)	C(NCHH)(PO3)2(H)	N(CCCH)(CHPP)(H)2	H(CNPP)	106.6245	0.019	2	106.6245	0.000	2	106.2196	3.318	5	107.9278	2.351	289	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:4:1:	4:4:1:1:	4:	N-4:P-4:P-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NCHH)(PO3)2(H)	N(CCHH)(CHPP)(H)2	H(CNPP)	C(NCHH)(PO3)2(H)	N(CCHH)(CHPP)(H)2	H(CNPP)	105.9497	2.522	3	105.9497	6.362	3	106.2196	3.318	5	107.9278	2.351	289	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:4:1:	4:4:4:1:	4:	C-4:C-4:N-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCHH)(CCHN)(NCCH)(H)	N(CC[6a]HH)(CCCH)2(H)	H(CCCN)	C(CCHH)(CCHN)(NCCH)(H)	N(CC[6a]HH)(CCCH)2(H)	H(CCCN)	107.8150	0.000	1	107.8150	0.000	1	106.2139	1.708	11	107.1508	2.014	134	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:4:1:	4:4:4:1:	4:	C-4:C-4:N-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCHH)2(NCCH)(H)	N(CC[6a]CH)(CCCH)(CCHH)(H)	H(CCCN)	C(CCHH)2(NCCH)(H)	N(CC[6a]CH)(CCCH)(CCHH)(H)	H(CCCN)	104.8150	0.000	1	104.8150	0.000	1	106.2139	1.708	11	107.1508	2.014	134	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:4:1:	4:4:4:1:	4:	C-4:C-4:N-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CC[6a]HO)(CHHO)(NCCH)(H)	N(CCCH)(CH3)2(H)	H(CCCN)	C(CC[6a]HO)(CHHO)(NCCH)(H)	N(CCCH)(CH3)2(H)	H(CCCN)	106.9210	0.542	6	106.9210	0.294	6	106.2139	1.708	11	107.1508	2.014	134	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:4:1:	4:4:4:1:	4:	C-4:C-4:N-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CHHO)2(NCCH)(H)	N(CCCH)3(H)	H(CCCN)	C(CHHO)2(NCCH)(H)	N(CCCH)3(H)	H(CCCN)	104.7323	0.867	3	104.7323	0.752	3	106.2139	1.708	11	107.1508	2.014	134	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:4:1:	4:4:4:1:	4:	C-4:N-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCHH)(NCCH)(CH3)(H)	N(CCCH)(CCHH)2(H)	H(CCCN)	C(CCHH)(NCCH)(CH3)(H)	N(CCCH)(CCHH)2(H)	H(CCCN)	107.3875	1.316	2	107.3875	1.732	2	107.3357	0.463	55	107.1508	2.014	134	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:4:1:	4:4:4:1:	4:	C-4:N-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CC[6a]HO)(NCCH)(CH3)(H)	N(CCCH)(CH3)2(H)	H(CCCN)	C(CC[6a]HO)(NCCH)(CH3)(H)	N(CCCH)(CH3)2(H)	H(CCCN)	107.2347	0.720	40	107.2347	0.518	40	107.3357	0.463	55	107.1508	2.014	134	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:4:1:	4:4:4:1:	4:	C-4:N-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CHHN)(NCCH)(CH3)(H)	N(CCCH)(CCHH)(CH3)(H)	H(CCCN)	C(CHHN)(NCCH)(CH3)(H)	N(CCCH)(CCHH)(CH3)(H)	H(CCCN)	108.1150	0.000	1	108.1150	0.000	1	107.3357	0.463	55	107.1508	2.014	134	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:4:1:	4:4:4:1:	4:	C-4:N-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CN[5]HH)(NCCH)(CH3)(H)	N(CC[6a]HH)(CCCH)(CCHH)(H)	H(CCCN)	C(CN[5]HH)(NCCH)(CH3)(H)	N(CC[6a]HH)(CCCH)(CCHH)(H)	H(CCCN)	108.1550	0.000	1	108.1550	0.000	1	107.3357	0.463	55	107.1508	2.014	134	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:4:1:	4:4:4:1:	4:	C-4:N-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CN[6]HH)(NCCH)(CH3)(H)	N(CCCH)(CCHH)2(H)	H(CCCN)	C(CN[6]HH)(NCCH)(CH3)(H)	N(CCCH)(CCHH)2(H)	H(CCCN)	107.5900	0.000	1	107.5900	0.000	1	107.3357	0.463	55	107.1508	2.014	134	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:4:1:	4:4:4:1:	4:	C-4:N-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CN[6]HH)(NCCH)(CH3)(H)	N(CCCH)(CH3)2(H)	H(CCCN)	C(CN[6]HH)(NCCH)(CH3)(H)	N(CCCH)(CH3)2(H)	H(CCCN)	107.5443	0.314	10	107.5443	0.099	10	107.3357	0.463	55	107.1508	2.014	134	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:4:1:	4:4:4:1:	4:	C-4:N-4:P-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CC[6a]HH)(NCCH)(PHOO)(H)	N(CC[6a]HH)2(CCHP)(H)	H(CCNP)	C(CC[6a]HH)(NCCH)(PHOO)(H)	N(CC[6a]HH)2(CCHP)(H)	H(CCNP)	107.0100	0.000	1	107.0100	0.000	1	107.0100	0.000	1	107.1508	2.014	134	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C-4:N-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[5]C[5]2Fe)(CCHH)(NCCH)(H)	N(CC[5]CH)(CH3)2(H)	H(CC[5]CN)	C(C[5]C[5]2Fe)(CCHH)(NCCH)(H)	N(CC[5]CH)(CH3)2(H)	H(CC[5]CN)	106.6500	1.408	3	106.6500	1.983	3	106.6500	1.983	3	107.1508	2.014	134	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:N-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[5]C[5]2Fe)(NCCH)(CH3)(H)	N(CC[5]CH)(CH3)2(H)	H(CC[5]CN)	C(C[5]C[5]2Fe)(NCCH)(CH3)(H)	N(CC[5]CH)(CH3)2(H)	H(CC[5]CN)	107.3660	0.311	2	107.3660	0.097	2	107.3660	0.097	2	107.1508	2.014	134	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:4:1:	4:4:4:1:	4:	N-4:C-4:C-4:H-1:	B-4:C-4:C-4:H-1:	C-4:	C(NBCH)(CH3)2(H)	N(BCHH)(CCCH)2(H)	H(CCCN)	C(NBCH)(CH3)2(H)	N(BCHH)(CCCH)2(H)	H(CCCN)	107.4025	0.654	2	107.4025	0.428	2	107.3405	0.168	10	107.1508	2.014	134	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:4:1:	4:4:4:1:	4:	N-4:C-4:C-4:H-1:	B-4:C-4:C-4:H-1:	C-4:	C(NBCH)(CH3)2(H)	N(BHHN)(CCCH)2(H)	H(CCCN)	C(NBCH)(CH3)2(H)	N(BHHN)(CCCH)2(H)	H(CCCN)	107.2835	0.322	2	107.2835	0.104	2	107.3405	0.168	10	107.1508	2.014	134	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:4:1:	4:4:4:1:	4:	N-4:C-4:C-4:H-1:	B-4:C-4:C-4:H-1:	C-4:	C(NBCH)(CH3)2(H)	N(BHHS)(CCCH)2(H)	H(CCCN)	C(NBCH)(CH3)2(H)	N(BHHS)(CCCH)2(H)	H(CCCN)	107.3388	0.440	6	107.3388	0.193	6	107.3405	0.168	10	107.1508	2.014	134	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:4:1:	4:4:4:1:	4:	N-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(NCCH)(CH3)2(H)	N(CCCH)(CHHP)2(H)	H(CCCN)	C(NCCH)(CH3)2(H)	N(CCCH)(CHHP)2(H)	H(CCCN)	106.9560	0.000	1	106.9560	0.000	1	107.1073	4.189	50	107.1508	2.014	134	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:4:1:	4:4:4:1:	4:	N-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(NCCH)(CH3)2(H)	N(CCCH)2(CCHH)(H)	H(CCCN)	C(NCCH)(CH3)2(H)	N(CCCH)2(CCHH)(H)	H(CCCN)	107.0756	2.194	42	107.0756	4.816	42	107.1073	4.189	50	107.1508	2.014	134	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:4:1:	4:4:4:1:	4:	N-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(NCCH)(CH3)2(H)	N(CCCH)2(CHHP)(H)	H(CCCN)	C(NCCH)(CH3)2(H)	N(CCCH)2(CHHP)(H)	H(CCCN)	108.1435	0.627	2	108.1435	0.393	2	107.1073	4.189	50	107.1508	2.014	134	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:4:1:	4:4:4:1:	4:	N-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(NCCH)(CH3)2(H)	N(CC[5]HH)(CCCH)2(H)	H(CCCN)	C(NCCH)(CH3)2(H)	N(CC[5]HH)(CCCH)2(H)	H(CCCN)	107.6475	0.011	2	107.6475	0.000	2	107.1073	4.189	50	107.1508	2.014	134	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:4:1:	4:4:4:1:	4:	N-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(NCCH)(CH3)2(H)	N(CC[6a]HH)(CCCH)2(H)	H(CCCN)	C(NCCH)(CH3)2(H)	N(CC[6a]HH)(CCCH)2(H)	H(CCCN)	105.0570	0.000	1	105.0570	0.000	1	107.1073	4.189	50	107.1508	2.014	134	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:4:1:	4:4:4:1:	4:	N-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(NCCH)(CH3)2(H)	N(CGaHH)(CCCH)2(H)	H(CCCN)	C(NCCH)(CH3)2(H)	N(CGaHH)(CCCH)2(H)	H(CCCN)	107.2965	0.585	2	107.2965	0.342	2	107.1073	4.189	50	107.1508	2.014	134	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:4:1:	4:4:4:1:	4:	N-4:C-4:C-4:H-1:	C[4]-4:C-4:C-4:H-1:	C-4:	C(NC[4]CH)(CH3)2(H)	N(C[4]C[4,6]C[4]H)(CCCH)2(H)	H(CCCN)	C(NC[4]CH)(CH3)2(H)	N(C[4]C[4,6]C[4]H)(CCCH)2(H)	H(CCCN)	107.9625	0.863	2	107.9625	0.745	2	107.9625	0.745	2	107.1508	2.014	134	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:4:1:	4:4:4:4:	4:	C-4:C-4:N-4:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(CH3)(NC3)(H)	N(CCCH)(CH3)3	H(CCCN)	C(CC3)(CH3)(NC3)(H)	N(CCCH)(CH3)3	H(CCCN)	103.2245	3.676	2	103.2245	13.515	2	105.2668	6.018	9	105.4466	5.673	10	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:4:1:	4:4:4:4:	4:	C-4:C-4:N-4:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC[6a]HH)(CHHO)(NC3)(H)	N(CCCH)(CH3)3	H(CCCN)	C(CC[6a]HH)(CHHO)(NC3)(H)	N(CCCH)(CH3)3	H(CCCN)	107.1325	0.347	2	107.1325	0.121	2	105.2668	6.018	9	105.4466	5.673	10	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:4:1:	4:4:4:4:	4:	C-4:C-4:N-4:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC[6a]HO)(CH3)(NC3)(H)	N(CC[6]HH)(CCCH)(CH3)2	H(CCCN)	C(CC[6a]HO)(CH3)(NC3)(H)	N(CC[6]HH)(CCCH)(CH3)2	H(CCCN)	106.8970	0.000	1	106.8970	0.000	1	105.2668	6.018	9	105.4466	5.673	10	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:4:1:	4:4:4:4:	4:	C-4:C-4:N-4:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC[6a]HO)(CH3)(NC3)(H)	N(CC[6a]HH)2(CCCH)(CH3)	H(CCCN)	C(CC[6a]HO)(CH3)(NC3)(H)	N(CC[6a]HH)2(CCCH)(CH3)	H(CCCN)	106.7380	0.000	1	106.7380	0.000	1	105.2668	6.018	9	105.4466	5.673	10	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:4:1:	4:4:4:4:	4:	C-4:C-4:N-4:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CH3)2(NC3)(H)	N(CCCH)(CCHH)(CH3)2	H(CCCN)	C(CH3)2(NC3)(H)	N(CCCH)(CCHH)(CH3)2	H(CCCN)	104.3507	2.436	3	104.3507	5.934	3	105.2668	6.018	9	105.4466	5.673	10	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	4:4:4:1:	4:4:4:4:	4:	C[5]-4:C-4:N-4:H-1:	C-4:B-4:C-4:C-4:	C-4:	C(C[5]C[5]2Fe)(CCHH)(NBCC)(H)	N(CC[5]CH)(BH3)(CH3)2	H(CC[5]CN)	C(C[5]C[5]2Fe)(CCHH)(NBCC)(H)	N(CC[5]CH)(BH3)(CH3)2	H(CC[5]CN)	107.0650	0.000	1	107.0650	0.000	1	107.0650	0.000	1	105.4466	5.673	10	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	5:4:1:1:	4:4:4:1:	4:	Si[5]-5:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(Si[5]O[5]2CF)(NCCH)(H)2	N(CSi[5]HH)(CH3)2(H)	H(CSi[5]HN)	C(Si[5]O[5]2CF)(NCCH)(H)2	N(CSi[5]HH)(CH3)2(H)	H(CSi[5]HN)	105.9575	1.446	4	105.9575	2.090	4	105.9575	2.090	4	105.9575	2.090	4	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	6:4:1:1:	4:4:1:1:	4:	C[5x3,5x5,20x6]-6:N-4:H-1:H-1:	C-4:C[6]-4:H-1:H-1:	C-4:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NC[6]HH)(H)2	N(CC[5x3,5x5,20x6]HH)(C[6]C[6,6]C[6]H)(H)2	H(CC[5x3,5x5,20x6]HN)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NC[6]HH)(H)2	N(CC[5x3,5x5,20x6]HH)(C[6]C[6,6]C[6]H)(H)2	H(CC[5x3,5x5,20x6]HN)	108.9640	0.014	2	108.9640	0.000	2	108.9640	0.000	2	108.9640	0.000	2	108.7278	1.496	43984	108.7278	1.496	43984
490	892	951	0:SP3_SP-NON_SP3	C	N	H	6:4:1:1:	4:4:4:4:	4:	C[5x3,5x5,20x6]-6:N-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NC3)(H)2	N(CC[5x3,5x5,20x6]HH)(CH3)3	H(CC[5x3,5x5,20x6]HN)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NC3)(H)2	N(CC[5x3,5x5,20x6]HH)(CH3)3	H(CC[5x3,5x5,20x6]HN)	107.2790	0.040	4	107.2790	0.002	4	107.2790	0.002	4	107.2790	0.002	4	108.7278	1.496	43984	108.7278	1.496	43984