670	790	856	0:SP2_SP-NON_SP2	Ge	Cl	N[6]	3:1:1:	3:	3:3:3:	N[6]-3:Cl-1:Cl-1:	Ge-3:	C[6]-3:C[6]-3:Ge-3:	Ge(N[6]C[6]2)(Cl)2	Cl(GeN[6]Cl)	N[6](C[6]C[6]H)2(GeCl2)	Ge(N[6]C[6]2)(Cl)2	Cl(GeN[6]Cl)	N[6](C[6]C[6]H)2(GeCl2){1|C<3>,2|H<1>}	92.7610	0.386	2	92.7610	0.149	2	92.7610	0.149	2	92.7610	0.149	2	92.7610	0.149	2	92.7610	0.149	2
670	790	907	0:SP2_SP-NON_SP3	Ge	Cl	Ge[4]	4:1:1:	3:	3:3:3:3:	Ge[4]-4:Cl-1:Cl-1:	Ge-3:	N[4]-3:N[4]-3:Ge-3:N-3:	Ge(Ge[4]N[4]2N)(Cl)2	Cl(GeGe[4]Cl)	Ge[4](N[4]C[4]C)2(GeCl2)(NSi2)	Ge(Ge[4]N[4]2N)(Cl)2	Cl(GeGe[4]Cl)	Ge[4](N[4]C[4]C)2(GeCl2)(NSi2){1|C<3>}	90.2585	1.093	2	90.2585	1.195	2	90.2585	1.195	2	90.2585	1.195	2	90.2585	1.195	2	90.2585	1.195	2
670	790	956	0:SP2_SP-NON_SP2	Ge	Cl	N	3:1:1:	3:	4:3:4:	N-3:Cl-1:Cl-1:	Ge-3:	Si[4]-4:Ge-3:Si-4:	Ge(NSi[4]Si)(Cl)2	Cl(GeClN)	N(Si[4]N[4]2Cl)(GeCl2)(SiC3)	Ge(NSi[4]Si)(Cl)2	Cl(GeClN)	N(Si[4]N[4]2Cl)(GeCl2)(SiC3)	96.7364	2.604	2	96.7364	6.780	2	96.7364	6.780	2	96.7364	6.780	2	96.7364	6.780	2	96.7364	6.780	2
670	790	996	0:SP2_SP-NON_SP3	Ge	Cl	Si[4]	4:1:1:	3:	3:3:3:3:	Si[4]-4:Cl-1:Cl-1:	Ge-3:	N[4]-3:N[4]-3:N-3:Ge-3:	Ge(Si[4]N[4]2N)(Cl)2	Cl(GeSi[4]Cl)	Si[4](N[4]C[4]C)2(NC[6a]P)(GeCl2)	Ge(Si[4]N[4]2N)(Cl)2	Cl(GeSi[4]Cl)	Si[4](N[4]C[4]C)2(NC[6a]P)(GeCl2){1|C<3>}	91.9299	0.343	2	91.9299	0.118	2	91.9299	0.118	2	91.9299	0.118	2	96.2829	44.337	4	96.2829	44.337	4
670	790	996	0:SP2_SP-NON_SP3	Ge	Cl	Si[4]	4:4:1:	3:	3:3:3:3:	Si[4]-4:Si[4]-4:Cl-1:	Ge-3:	C[6a]-3:Ge-3:N[4]-3:N[4]-3:	Ge(Si[4]C[6a]N[4]2)2(Cl)	Cl(GeSi[4]2)	Si[4](C[6a]C[6,6a]C[6a])(GeSi[4]Cl)(N[4]C[4]C)2	Ge(Si[4]C[6a]N[4]2)2(Cl)	Cl(GeSi[4]2)	Si[4](C[6a]C[6,6a]C[6a])(GeSi[4]Cl)(N[4]C[4]C)2{1|H<1>,1|O<2>,3|C<3>}	100.6359	7.556	2	100.6359	57.097	2	100.6359	57.097	2	100.6359	57.097	2	96.2829	44.337	4	96.2829	44.337	4
670	818	880	0:SP2_SP2_SP3	Ge	C[5]	Si	3:4:4:	3:3:3:	3:4:4:4:	C[5]-3:Si-4:Si-4:	N[5]-3:N[5]-3:Ge-3:	Ge-3:Si-4:Si-4:Si-4:	Ge(C[5]N[5]2)(SiSi3)2	C[5](N[5]C[5]C)2(GeSi2)	Si(GeC[5]Si)(SiC3)3	Ge(C[5]N[5]2)(SiSi3)2	C[5](N[5]C[5]C)2(GeSi2){2|C<4>}	Si(GeC[5]Si)(SiC3)3	103.5195	1.658	2	103.5195	2.750	2	103.5195	2.750	2	103.5195	2.750	2	103.5195	2.750	2	103.5195	2.750	2
670	818	924	0:SP2_SP-NON_SP2	Ge	C[5]	Br	3:1:1:	3:3:3:	3:	C[5]-3:Br-1:Br-1:	N[5]-3:N[5]-3:Ge-3:	Ge-3:	Ge(C[5]N[5]2)(Br)2	C[5](N[5]C[5]C)2(GeBr2)	Br(GeC[5]Br)	Ge(C[5]N[5]2)(Br)2	C[5](N[5]C[5]C)2(GeBr2){2|C<4>}	Br(GeC[5]Br)	94.2515	2.330	2	94.2515	5.430	2	94.2515	5.430	2	94.2515	5.430	2	94.2515	5.430	2	94.2515	5.430	2
670	818	944	0:SP2_SP-NON_SP2	Ge	C[5]	I	3:1:1:	3:3:3:	3:	C[5]-3:I-1:I-1:	N[5]-3:N[5]-3:Ge-3:	Ge-3:	Ge(C[5]N[5]2)(I)2	C[5](N[5]C[5]C)2(GeII)	I(GeC[5]I)	Ge(C[5]N[5]2)(I)2	C[5](N[5]C[5]C)2(GeII){2|C<4>}	I(GeC[5]I)	96.6394	3.267	6	96.6394	10.675	6	96.6394	10.675	6	96.6394	10.675	6	96.6394	10.675	6	96.6394	10.675	6
670	880	880	0:SP2_SP3_SP3	Ge	Si	Si	2:4:4:	3:4:4:4:	3:4:4:4:	As-2:Si-4:Si-4:	Ge-3:C-4:C-4:C-4:	Ge-3:C-4:C-4:C-4:	Ge(AsC[6a])(SiC3)2	Si(GeAsSi)(CC3)2(CH3)	Si(GeAsSi)(CC3)2(CH3)	Ge(AsC[6a])(SiC3)2	Si(GeAsSi)(CC3)2(CH3)	Si(GeAsSi)(CC3)2(CH3)	127.8980	0.000	1	127.8980	0.000	1	127.8980	0.000	1	127.7455	0.047	2	110.8381	145.042	16	110.8381	145.042	16
670	880	880	0:SP2_SP3_SP3	Ge	Si	Si	2:4:4:	3:4:4:4:	3:4:4:4:	P-2:Si-4:Si-4:	Ge-3:C-4:C-4:C-4:	Ge-3:C-4:C-4:C-4:	Ge(PC[6a])(SiC3)2	Si(GeSiP)(CC3)2(CH3)	Si(GeSiP)(CC3)2(CH3)	Ge(PC[6a])(SiC3)2	Si(GeSiP)(CC3)2(CH3)	Si(GeSiP)(CC3)2(CH3)	127.5930	0.000	1	127.5930	0.000	1	127.5930	0.000	1	127.7455	0.047	2	110.8381	145.042	16	110.8381	145.042	16
670	880	880	0:SP2_SP3_SP3	Ge	Si	Si	3:4:4:	3:4:4:4:	3:4:4:4:	C[5]-3:Si-4:Si-4:	Ge-3:Si-4:Si-4:Si-4:	Ge-3:Si-4:Si-4:Si-4:	Ge(C[5]N[5]2)(SiSi3)2	Si(GeC[5]Si)(SiC3)3	Si(GeC[5]Si)(SiC3)3	Ge(C[5]N[5]2)(SiSi3)2	Si(GeC[5]Si)(SiC3)3	Si(GeC[5]Si)(SiC3)3	117.3880	0.000	1	117.3880	0.000	1	117.3880	0.000	1	99.1418	151.168	4	110.8381	145.042	16	110.8381	145.042	16
670	880	880	0:SP2_SP3_SP3	Ge	Si	Si	3:4:4:	3:4:4:4:	3:4:4:4:	Ge-3:Si-4:Si-4:	Ge-3:C-4:C-4:C-4:	Ge-3:C-4:C-4:C-4:	Ge(GeSi2)(SiC3)2	Si(GeGeSi)(CH3)3	Si(GeGeSi)(CH3)3	Ge(GeSi2)(SiC3)2	Si(GeGeSi)(CH3)3	Si(GeGeSi)(CH3)3	93.0597	2.191	3	93.0597	4.802	3	93.0597	4.802	3	99.1418	151.168	4	110.8381	145.042	16	110.8381	145.042	16
670	880	880	0:SP2_SP3_SP3	Ge	Si	Si	4:4:4:	3:4:4:4:	3:4:4:4:	Si-4:Si-4:Si-4:	Ge-3:C-4:C-4:C-4:	Ge-3:C-4:C-4:C-4:	Ge(SiC3)3	Si(GeSi2)(CC3)2(CH3)	Si(GeSi2)(CC3)2(CH3)	Ge(SiC3)3	Si(GeSi2)(CC3)2(CH3)	Si(GeSi2)(CC3)2(CH3)	116.7461	3.075	7	116.7461	9.456	7	114.3744	53.107	8	114.3744	53.107	8	110.8381	145.042	16	110.8381	145.042	16
670	880	880	0:SP2_SP3_SP3	Ge	Si	Si	4:4:4:	3:4:4:4:	3:4:4:4:	Si-4:Si-4:Si-4:	Ge-3:C-4:C-4:C-4:	Ge-3:C-4:C-4:C-4:	Ge(SiSiCC)(SiC3)2	Si(GeSi2)(CH3)3	Si(GeSi2)(CH3)3	Ge(SiSiCC)(SiC3)2	Si(GeSi2)(CH3)3	Si(GeSi2)(CH3)3	97.7720	0.000	1	97.7720	0.000	1	114.3744	53.107	8	114.3744	53.107	8	110.8381	145.042	16	110.8381	145.042	16
670	880	880	0:SP2_SP3_SP3	Ge	Si	Si	4:4:4:	4:3:4:4:	3:4:4:4:	Si-4:Si-4:Si-4:	Si-4:Ge-3:C-4:C-4:	Ge-3:C-4:C-4:C-4:	Ge(SiSiCC)(SiC3)2	Si(SiGeCC)(GeSi2)(CH3)2	Si(GeSi2)(CH3)3	Ge(SiSiCC)(SiC3)2	Si(SiGeCC)(GeSi2)(CH3)2	Si(GeSi2)(CH3)3	103.1780	3.742	2	103.1780	14.003	2	103.1780	14.003	2	103.1780	14.003	2	110.8381	145.042	16	110.8381	145.042	16
670	880	930	0:SP2_SP2_SP3	Ge	Si	C	3:4:4:	4:4:4:3:	3:3:3:	C-3:Si-4:P-4:	Si-4:Si-4:Si-4:Ge-3:	C[6a]-3:Ge-3:C-3:	Ge(CC[6a]C)(SiSi3)(PC3)	Si(SiC3)3(GeCP)	C(C[6a]C[6a]2)(GeSiP)(CSiH)	Ge(CC[6a]C)(SiSi3)(PC3)	Si(SiC3)3(GeCP)	C(C[6a]C[6a]2)(GeSiP)(CSiH)	114.3670	0.000	1	114.3670	0.000	1	114.3670	0.000	1	114.3670	0.000	1	114.3670	0.000	1	114.3670	0.000	1
670	880	940	0:SP2_SP-NON_SP3	Ge	Si	P	2:4:4:	3:4:4:4:	3:3:	P-2:Si-4:Si-4:	Ge-3:C-4:C-4:C-4:	C[6a]-3:Ge-3:	Ge(PC[6a])(SiC3)2	Si(GeSiP)(CC3)2(CH3)	P(C[6a]C[6a]2)(GeSi2)	Ge(PC[6a])(SiC3)2	Si(GeSiP)(CC3)2(CH3)	P(C[6a]C[6a]2)(GeSi2)	116.1925	15.997	2	116.1925	255.900	2	116.1925	255.900	2	116.1925	255.900	2	116.1925	255.900	2	116.1925	255.900	2
670	880	990	0:SP2_SP2_SP3	Ge	Si	As	2:4:4:	3:4:4:4:	3:3:	As-2:Si-4:Si-4:	Ge-3:C-4:C-4:C-4:	C[6a]-3:Ge-3:	Ge(AsC[6a])(SiC3)2	Si(GeAsSi)(CC3)2(CH3)	As(C[6a]C[6a]2)(GeSi2)	Ge(AsC[6a])(SiC3)2	Si(GeAsSi)(CC3)2(CH3)	As(C[6a]C[6a]2)(GeSi2)	116.0505	15.844	2	116.0505	251.037	2	116.0505	251.037	2	116.0505	251.037	2	116.0505	251.037	2	116.0505	251.037	2
670	880	992	0:SP2_SP3_SP3	Ge	Si	P	3:4:4:	4:4:4:3:	3:4:4:4:	C-3:Si-4:P-4:	Si-4:Si-4:Si-4:Ge-3:	Ge-3:C-4:C-4:C-4:	Ge(CC[6a]C)(SiSi3)(PC3)	Si(SiC3)3(GeCP)	P(GeSiC)(CH3)3	Ge(CC[6a]C)(SiSi3)(PC3)	Si(SiC3)3(GeCP)	P(GeSiC)(CH3)3	103.5340	0.000	1	103.5340	0.000	1	103.5340	0.000	1	103.5340	0.000	1	103.5340	0.000	1	103.5340	0.000	1
670	892	893	0:SP2_SP2_SP3	Ge	N	O	2:2:4:	3:1:1:1:	3:3:	O-2:O-2:N-4:	Ge-3:H-1:H-1:H-1:	C[6a]-3:Ge-3:	Ge(OC[6a])2(NH3)	N(GeOO)(H)3	O(C[6a]C[6a]2)(GeNO)	Ge(OC[6a])2(NH3)	N(GeOO)(H)3	O(C[6a]C[6a]2)(GeNO)	88.9106	10.337	2	88.9106	106.858	2	88.9106	106.858	2	88.9106	106.858	2	88.9106	106.858	2	88.9106	106.858	2
670	893	893	0:SP2_SP2_SP2	Ge	O	O	2:2:1:	3:4:	3:4:	O-2:O-2:Se-1:	Ge-3:C-4:	Ge-3:C-4:	Ge(OC)2(Se)	O(GeSeO)(CC3)	O(GeSeO)(CC3)	Ge(OC)2(Se)	O(GeSeO)(CC3)	O(GeSeO)(CC3)	116.7960	0.000	1	116.7960	0.000	1	116.7960	0.000	1	116.7960	0.000	1	101.9877	98.871	4	101.9877	98.871	4
670	893	893	0:SP2_SP2_SP2	Ge	O	O	2:2:2:	4:3:	4:3:	N-2:O-2:O-2:	P-4:Ge-3:	P-4:Ge-3:	Ge(NN)(OP)2	O(PCoOO)(GeNO)	O(PCoOO)(GeNO)	Ge(NN)(OP)2	O(PCoOO)(GeNO)	O(PCoOO)(GeNO)	95.3724	0.000	1	95.3724	0.000	1	95.3724	0.000	1	95.3724	0.000	1	101.9877	98.871	4	101.9877	98.871	4
670	893	893	0:SP2_SP2_SP2	Ge	O	O	2:2:3:	3:3:	3:3:	O-2:O-2:N-3:	C[6a]-3:Ge-3:	C[6a]-3:Ge-3:	Ge(OC[6a])2(NHH)	O(C[6a]C[6a]2)(GeNO)	O(C[6a]C[6a]2)(GeNO)	Ge(OC[6a])2(NHH)	O(C[6a]C[6a]2)(GeNO)	O(C[6a]C[6a]2)(GeNO)	97.8967	0.000	1	97.8967	0.000	1	97.8967	0.000	1	97.8967	0.000	1	101.9877	98.871	4	101.9877	98.871	4
670	893	893	0:SP2_SP2_SP2	Ge	O	O	2:2:4:	3:3:	3:3:	O-2:O-2:N-4:	C[6a]-3:Ge-3:	C[6a]-3:Ge-3:	Ge(OC[6a])2(NH3)	O(C[6a]C[6a]2)(GeNO)	O(C[6a]C[6a]2)(GeNO)	Ge(OC[6a])2(NH3)	O(C[6a]C[6a]2)(GeNO)	O(C[6a]C[6a]2)(GeNO)	97.8855	0.000	1	97.8855	0.000	1	97.8855	0.000	1	97.8855	0.000	1	101.9877	98.871	4	101.9877	98.871	4
670	893	941	0:SP2_SP2_SP2	Ge	O	N	2:2:2:	4:3:	3:2:	N-2:O-2:O-2:	P-4:Ge-3:	Ge-3:N-2:	Ge(NN)(OP)2	O(PCoOO)(GeNO)	N(GeOO)(NN)	Ge(NN)(OP)2	O(PCoOO)(GeNO)	N(GeOO)(NN)	87.3998	0.205	2	87.3998	0.042	2	87.3998	0.042	2	87.3998	0.042	2	87.3998	0.042	2	87.3998	0.042	2
670	893	956	0:SP2_SP2_SP3	Ge	O	N	2:2:3:	3:3:	3:1:1:	O-2:O-2:N-3:	C[6a]-3:Ge-3:	Ge-3:H-1:H-1:	Ge(OC[6a])2(NHH)	O(C[6a]C[6a]2)(GeNO)	N(GeOO)(H)2	Ge(OC[6a])2(NHH)	O(C[6a]C[6a]2)(GeNO)	N(GeOO)(H)2	88.8526	10.330	2	88.8526	106.713	2	88.8526	106.713	2	88.8526	106.713	2	88.8526	106.713	2	88.8526	106.713	2
670	909	909	0:SP2_SP2_SP2	Ge	S	S	2:2:1:	3:4:	3:4:	S-2:S-2:S-1:	Ge-3:C-4:	Ge-3:C-4:	Ge(SC)2(S)	S(GeSS)(CC3)	S(GeSS)(CC3)	Ge(SC)2(S)	S(GeSS)(CC3)	S(GeSS)(CC3)	118.5470	0.000	1	118.5470	0.000	1	118.5470	0.000	1	118.4240	0.030	2	118.4240	0.030	2	118.4240	0.030	2
670	909	909	0:SP2_SP2_SP2	Ge	S	S	2:2:1:	3:4:	3:4:	S-2:S-2:Se-1:	Ge-3:C-4:	Ge-3:C-4:	Ge(SC)2(Se)	S(GeSeS)(CC3)	S(GeSeS)(CC3)	Ge(SC)2(Se)	S(GeSeS)(CC3)	S(GeSeS)(CC3)	118.3010	0.000	1	118.3010	0.000	1	118.3010	0.000	1	118.4240	0.030	2	118.4240	0.030	2	118.4240	0.030	2
670	909	977	0:SP2_SP-NON_SP2	Ge	S	S	2:2:1:	3:4:	3:	S-2:S-2:S-1:	Ge-3:C-4:	Ge-3:	Ge(SC)2(S)	S(GeSS)(CC3)	S(GeSS)	Ge(SC)2(S)	S(GeSS)(CC3)	S(GeSS)	120.6525	0.425	2	120.6525	0.181	2	120.6525	0.181	2	120.6525	0.181	2	120.6525	0.181	2	120.6525	0.181	2
670	924	924	0:SP2_SP-NON_SP-NON	Ge	Br	Br	1:1:1:	3:	3:	Br-1:Br-1:Br-1:	Ge-3:	Ge-3:	Ge(Br)3	Br(GeBr2)	Br(GeBr2)	Ge(Br)3	Br(GeBr2)	Br(GeBr2)	96.3660	2.825	3	96.3660	7.982	3	96.3660	7.982	3	96.3660	7.982	3	96.3714	4.770	5	96.3714	4.770	5
670	924	924	0:SP2_SP-NON_SP-NON	Ge	Br	Br	3:1:1:	3:	3:	C[5]-3:Br-1:Br-1:	Ge-3:	Ge-3:	Ge(C[5]N[5]2)(Br)2	Br(GeC[5]Br)	Br(GeC[5]Br)	Ge(C[5]N[5]2)(Br)2	Br(GeC[5]Br)	Br(GeC[5]Br)	97.6280	0.000	1	97.6280	0.000	1	97.6280	0.000	1	96.3795	3.117	2	96.3714	4.770	5	96.3714	4.770	5
670	924	924	0:SP2_SP-NON_SP-NON	Ge	Br	Br	3:1:1:	3:	3:	C[6a]-3:Br-1:Br-1:	Ge-3:	Ge-3:	Ge(C[6a]C[6a]2)(Br)2	Br(GeC[6a]Br)	Br(GeC[6a]Br)	Ge(C[6a]C[6a]2)(Br)2	Br(GeC[6a]Br)	Br(GeC[6a]Br)	95.1311	0.000	1	95.1311	0.000	1	95.1311	0.000	1	96.3795	3.117	2	96.3714	4.770	5	96.3714	4.770	5
670	930	930	0:SP2_SP2_SP2	Ge	C	C	3:3:4:	3:3:3:	3:3:3:	C-3:C-3:P-4:	C[6a]-3:C-3:Ge-3:	C[6a]-3:C-3:Ge-3:	Ge(CC[6a]C)2(PC3)	C(C[6a]C[6a]2)(CSiH)(GeCP)	C(C[6a]C[6a]2)(CSiH)(GeCP)	Ge(CC[6a]C)2(PC3)	C(C[6a]C[6a]2)(CSiH)(GeCP)	C(C[6a]C[6a]2)(CSiH)(GeCP)	105.3220	0.000	1	105.3220	0.000	1	105.3220	0.000	1	105.3220	0.000	1	105.3220	0.000	1	105.3220	0.000	1
670	930	992	0:SP2_SP2_SP3	Ge	C	P	3:3:4:	3:3:3:	3:4:4:4:	C-3:C-3:P-4:	C[6a]-3:C-3:Ge-3:	Ge-3:C-4:C-4:C-4:	Ge(CC[6a]C)2(PC3)	C(C[6a]C[6a]2)(CSiH)(GeCP)	P(GeCC)(CH3)3	Ge(CC[6a]C)2(PC3)	C(C[6a]C[6a]2)(CSiH)(GeCP)	P(GeCC)(CH3)3	93.5079	2.343	2	93.5079	5.490	2	93.5079	5.490	2	93.5079	5.490	2	93.4116	2.773	3	93.4116	2.773	3
670	930	992	0:SP2_SP2_SP3	Ge	C	P	3:4:4:	3:3:3:	3:4:4:4:	C-3:Si-4:P-4:	C[6a]-3:Ge-3:C-3:	Ge-3:C-4:C-4:C-4:	Ge(CC[6a]C)(SiSi3)(PC3)	C(C[6a]C[6a]2)(GeSiP)(CSiH)	P(GeSiC)(CH3)3	Ge(CC[6a]C)(SiSi3)(PC3)	C(C[6a]C[6a]2)(GeSiP)(CSiH)	P(GeSiC)(CH3)3	93.2189	0.000	1	93.2189	0.000	1	93.2189	0.000	1	93.2189	0.000	1	93.4116	2.773	3	93.4116	2.773	3
670	941	941	0:SP2_SP2_SP2	Ge	N	N	2:2:2:	3:2:	3:2:	N-2:N-2:N-2:	Ge-3:N-2:	Ge-3:N-2:	Ge(NN)3	N(GeNN)(NN)	N(GeNN)(NN)	Ge(NN)3	N(GeNN)(NN)	N(GeNN)(NN)	92.9524	1.760	3	92.9524	3.099	3	92.9524	3.099	3	92.9524	3.099	3	92.9524	3.099	3	92.9524	3.099	3
670	944	944	0:SP2_SP-NON_SP-NON	Ge	I	I	1:1:1:	3:	3:	I-1:I-1:I-1:	Ge-3:	Ge-3:	Ge(I)3	I(GeII)	I(GeII)	Ge(I)3	I(GeII)	I(GeII)	96.2831	1.058	10	96.2831	1.120	10	96.2831	1.120	10	96.2831	1.120	10	96.5411	1.945	13	96.5411	1.945	13
670	944	944	0:SP2_SP-NON_SP-NON	Ge	I	I	3:1:1:	3:	3:	C[5]-3:I-1:I-1:	Ge-3:	Ge-3:	Ge(C[5]N[5]2)(I)2	I(GeC[5]I)	I(GeC[5]I)	Ge(C[5]N[5]2)(I)2	I(GeC[5]I)	I(GeC[5]I)	97.4009	2.277	3	97.4009	5.185	3	97.4009	5.185	3	97.4009	5.185	3	96.5411	1.945	13	96.5411	1.945	13
670	951	956	0:SP2_SP-NON_SP2	Ge	H	N	3:4:1:	3:	3:3:4:	N-3:Ge-4:H-1:	Ge-3:	C[6a]-3:Ge-3:Si-4:	Ge(NC[6a]Si)(GeHHN)(H)	H(GeGeN)	N(C[6a]C[6a]2)(GeGeH)(SiC3)	Ge(NC[6a]Si)(GeHHN)(H)	H(GeGeN)	N(C[6a]C[6a]2)(GeGeH)(SiC3)	106.3720	0.000	1	106.3720	0.000	1	106.3720	0.000	1	106.3720	0.000	1	106.3720	0.000	1	106.3720	0.000	1
670	996	996	0:SP2_SP3_SP3	Ge	Si[4]	Si[4]	4:4:1:	3:3:3:3:	3:3:3:3:	Si[4]-4:Si[4]-4:Cl-1:	C[6a]-3:Ge-3:N[4]-3:N[4]-3:	C[6a]-3:Ge-3:N[4]-3:N[4]-3:	Ge(Si[4]C[6a]N[4]2)2(Cl)	Si[4](C[6a]C[6,6a]C[6a])(GeSi[4]Cl)(N[4]C[4]C)2	Si[4](C[6a]C[6,6a]C[6a])(GeSi[4]Cl)(N[4]C[4]C)2	Ge(Si[4]C[6a]N[4]2)2(Cl)	Si[4](C[6a]C[6,6a]C[6a])(GeSi[4]Cl)(N[4]C[4]C)2{1|H<1>,1|O<2>,3|C<3>}	Si[4](C[6a]C[6,6a]C[6a])(GeSi[4]Cl)(N[4]C[4]C)2{1|H<1>,1|O<2>,3|C<3>}	101.4620	0.000	1	101.4620	0.000	1	101.4620	0.000	1	101.4620	0.000	1	113.4785	288.793	2	113.4785	288.793	2
670	996	996	0:SP2_SP3_SP3	Ge	Si[4]	Si[4]	4:4:3:	3:3:3:3:	3:3:3:3:	Si[4]-4:Si[4]-4:B[6,6]-3:	C[6a]-3:Ge-3:N[4]-3:N[4]-3:	C[6a]-3:Ge-3:N[4]-3:N[4]-3:	Ge(Si[4]C[6a]N[4]2)2(B[6,6]C[6,6]2)	Si[4](C[6a]C[6,6a]C[6a])(GeB[6,6]Si[4])(N[4]C[4]C)2	Si[4](C[6a]C[6,6a]C[6a])(GeB[6,6]Si[4])(N[4]C[4]C)2	Ge(Si[4]C[6a]N[4]2)2(B[6,6]C[6,6]2)	Si[4](C[6a]C[6,6a]C[6a])(GeB[6,6]Si[4])(N[4]C[4]C)2{1|H<1>,1|O<2>,3|C<3>}	Si[4](C[6a]C[6,6a]C[6a])(GeB[6,6]Si[4])(N[4]C[4]C)2{1|O<2>,2|H<1>,3|C<3>}	125.4950	0.000	1	125.4950	0.000	1	125.4950	0.000	1	125.4950	0.000	1	113.4785	288.793	2	113.4785	288.793	2
678	727	727	5:SP-NON_SP2_SP2	Br[5]	C[5,6a]	C[5,6a]	3:3:	3:2:3:	3:2:3:	C[5,6a]-3:C[5,6a]-3:	C[5,6a]-3:Br[5]-2:C[6a]-3:	C[5,6a]-3:Br[5]-2:C[6a]-3:	Br[5](C[5,6a]C[5,6a]C[6a])2	C[5,6a](C[5,6a]C[5,6a]C[6a])(Br[5]C[5,6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Br[5]C[5,6a])(C[6a]C[6a]H)	Br[5](C[5,6a]C[5,6a]C[6a])2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(Br[5]C[5,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(Br[5]C[5,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	86.6102	0.000	1	86.6102	0.000	1	86.6102	0.000	1	86.6102	0.000	1	86.6102	0.000	1	86.6102	0.000	1
679	3	537	0:SP3_SP2_SP2	B[5a]	B[5a]	O[5a]	2:2:3:3:	4:2:2:	3:4:	O[5a]-2:O[5a]-2:B[5a]-3:C[5]-3:	B[5a]-4:O[5a]-2:O[5a]-2:	C[5a,6a]-3:B[5a]-4:	B[5a](O[5a]C[5a,6a])2(B[5a]O[5a]2)(C[5]N[5]2)	B[5a](B[5a]O[5a]2C[5])(O[5a]C[5a,6a])2	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]B[5a]O[5a]C[5])	B[5a](O[5a]C[5a,6a])2(B[5a]O[5a]2)(C[5]N[5]2){2|C<4>,6|C<3>}	B[5a](B[5a]O[5a]2C[5])(O[5a]C[5a,6a])2{2|N<3>,4|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]B[5a]O[5a]C[5]){1|H<1>,2|C<3>,2|N<3>,2|O<2>}	109.6980	5.479	4	109.6980	30.018	4	109.6980	30.018	4	109.6980	30.018	4	109.6980	30.018	4	109.6980	30.018	4
679	3	818	0:SP3_SP2_SP2	B[5a]	B[5a]	C[5]	2:2:3:3:	4:2:2:	4:3:3:	O[5a]-2:O[5a]-2:B[5a]-3:C[5]-3:	B[5a]-4:O[5a]-2:O[5a]-2:	B[5a]-4:N[5]-3:N[5]-3:	B[5a](O[5a]C[5a,6a])2(B[5a]O[5a]2)(C[5]N[5]2)	B[5a](B[5a]O[5a]2C[5])(O[5a]C[5a,6a])2	C[5](B[5a]B[5a]O[5a]2)(N[5]C[6a]C[5])2	B[5a](O[5a]C[5a,6a])2(B[5a]O[5a]2)(C[5]N[5]2){2|C<4>,6|C<3>}	B[5a](B[5a]O[5a]2C[5])(O[5a]C[5a,6a])2{2|N<3>,4|C<3>}	C[5](B[5a]B[5a]O[5a]2)(N[5]C[6a]C[5])2{2|O<2>,4|H<1>,6|C<3>}	112.3630	0.253	2	112.3630	0.064	2	112.3630	0.064	2	112.3630	0.064	2	112.3630	0.064	2	112.3630	0.064	2
679	181	181	5:SP3_SP2_SP2	B[5a]	S[5a]	S[5a]	4:2:2:3:	3:4:	3:4:	B[5a]-4:S[5a]-2:S[5a]-2:N-3:	C[5,5a]-3:B[5a]-4:	C[5,5a]-3:B[5a]-4:	B[5a](B[5a]S[5a]2N)(S[5a]C[5,5a])2(NCC)	S[5a](C[5,5a]C[5,5a]S[5])(B[5a]B[5a]S[5a]N)	S[5a](C[5,5a]C[5,5a]S[5])(B[5a]B[5a]S[5a]N)	B[5a](B[5a]S[5a]2N)(S[5a]C[5,5a])2(NCC){2|C<3>,2|S<2>}	S[5a](C[5,5a]C[5,5a]S[5])(B[5a]B[5a]S[5a]N){1|C<3>,1|N<4>,3|S<2>}	S[5a](C[5,5a]C[5,5a]S[5])(B[5a]B[5a]S[5a]N){1|C<3>,1|N<4>,3|S<2>}	105.5590	0.000	1	105.5590	0.000	1	105.5590	0.000	1	105.5590	0.000	1	105.4285	0.034	2	105.4285	0.034	2
679	181	181	5:SP3_SP2_SP2	B[5a]	S[5a]	S[5a]	4:2:2:4:	3:4:	3:4:	B[5a]-4:S[5a]-2:S[5a]-2:N-4:	C[5,5a]-3:B[5a]-4:	C[5,5a]-3:B[5a]-4:	B[5a](B[5a]S[5a]2N)(S[5a]C[5,5a])2(NCCH)	S[5a](C[5,5a]C[5,5a]S[5])(B[5a]B[5a]S[5a]N)	S[5a](C[5,5a]C[5,5a]S[5])(B[5a]B[5a]S[5a]N)	B[5a](B[5a]S[5a]2N)(S[5a]C[5,5a])2(NCCH){2|C<3>,2|S<2>}	S[5a](C[5,5a]C[5,5a]S[5])(B[5a]B[5a]S[5a]N){1|C<3>,1|N<3>,3|S<2>}	S[5a](C[5,5a]C[5,5a]S[5])(B[5a]B[5a]S[5a]N){1|C<3>,1|N<3>,3|S<2>}	105.2980	0.000	1	105.2980	0.000	1	105.2980	0.000	1	105.2980	0.000	1	105.4285	0.034	2	105.4285	0.034	2
679	181	679	0:SP3_SP2_SP3	B[5a]	S[5a]	B[5a]	4:2:2:3:	3:4:	4:2:2:4:	B[5a]-4:S[5a]-2:S[5a]-2:N-3:	C[5,5a]-3:B[5a]-4:	B[5a]-4:S[5a]-2:S[5a]-2:N-4:	B[5a](B[5a]S[5a]2N)(S[5a]C[5,5a])2(NCC)	S[5a](C[5,5a]C[5,5a]S[5])(B[5a]B[5a]S[5a]N)	B[5a](B[5a]S[5a]2N)(S[5a]C[5,5a])2(NCCH)	B[5a](B[5a]S[5a]2N)(S[5a]C[5,5a])2(NCC){2|C<3>,2|S<2>}	S[5a](C[5,5a]C[5,5a]S[5])(B[5a]B[5a]S[5a]N){1|C<3>,1|N<4>,3|S<2>}	B[5a](B[5a]S[5a]2N)(S[5a]C[5,5a])2(NCCH){2|C<3>,2|S<2>}	112.0140	1.899	2	112.0140	3.607	2	112.0140	3.607	2	112.0140	3.607	2	111.8298	2.739	4	111.8298	2.739	4
679	181	679	0:SP3_SP2_SP3	B[5a]	S[5a]	B[5a]	4:2:2:4:	3:4:	4:2:2:3:	B[5a]-4:S[5a]-2:S[5a]-2:N-4:	C[5,5a]-3:B[5a]-4:	B[5a]-4:S[5a]-2:S[5a]-2:N-3:	B[5a](B[5a]S[5a]2N)(S[5a]C[5,5a])2(NCCH)	S[5a](C[5,5a]C[5,5a]S[5])(B[5a]B[5a]S[5a]N)	B[5a](B[5a]S[5a]2N)(S[5a]C[5,5a])2(NCC)	B[5a](B[5a]S[5a]2N)(S[5a]C[5,5a])2(NCCH){2|C<3>,2|S<2>}	S[5a](C[5,5a]C[5,5a]S[5])(B[5a]B[5a]S[5a]N){1|C<3>,1|N<3>,3|S<2>}	B[5a](B[5a]S[5a]2N)(S[5a]C[5,5a])2(NCC){2|C<3>,2|S<2>}	111.6455	2.115	2	111.6455	4.473	2	111.6455	4.473	2	111.6455	4.473	2	111.8298	2.739	4	111.8298	2.739	4
679	181	892	0:SP3_SP2_SP3	B[5a]	S[5a]	N	4:2:2:4:	3:4:	4:4:4:1:	B[5a]-4:S[5a]-2:S[5a]-2:N-4:	C[5,5a]-3:B[5a]-4:	B[5a]-4:C-4:C-4:H-1:	B[5a](B[5a]S[5a]2N)(S[5a]C[5,5a])2(NCCH)	S[5a](C[5,5a]C[5,5a]S[5])(B[5a]B[5a]S[5a]N)	N(B[5a]B[5a]S[5a]2)(CH3)2(H)	B[5a](B[5a]S[5a]2N)(S[5a]C[5,5a])2(NCCH){2|C<3>,2|S<2>}	S[5a](C[5,5a]C[5,5a]S[5])(B[5a]B[5a]S[5a]N){1|C<3>,1|N<3>,3|S<2>}	N(B[5a]B[5a]S[5a]2)(CH3)2(H)	107.1180	0.390	2	107.1180	0.152	2	107.1180	0.152	2	107.1180	0.152	2	107.1180	0.152	2	107.1180	0.152	2
679	181	956	0:SP3_SP2_SP3	B[5a]	S[5a]	N	4:2:2:3:	3:4:	4:4:4:	B[5a]-4:S[5a]-2:S[5a]-2:N-3:	C[5,5a]-3:B[5a]-4:	B[5a]-4:C-4:C-4:	B[5a](B[5a]S[5a]2N)(S[5a]C[5,5a])2(NCC)	S[5a](C[5,5a]C[5,5a]S[5])(B[5a]B[5a]S[5a]N)	N(B[5a]B[5a]S[5a]2)(CH3)2	B[5a](B[5a]S[5a]2N)(S[5a]C[5,5a])2(NCC){2|C<3>,2|S<2>}	S[5a](C[5,5a]C[5,5a]S[5])(B[5a]B[5a]S[5a]N){1|C<3>,1|N<4>,3|S<2>}	N(B[5a]B[5a]S[5a]2)(CH3)2	107.2485	0.145	2	107.2485	0.021	2	107.2485	0.021	2	107.2485	0.021	2	107.2485	0.021	2	107.2485	0.021	2
679	466	466	0:SP3_SP3_SP3	B[5a]	C[6]	C[6]	3:3:4:4:	4:4:4:1:	4:4:4:1:	N[5,5a]-3:N[5a]-3:C[6]-4:C[6]-4:	B[5a]-4:C[6]-4:C[6]-4:H-1:	B[5a]-4:C[6]-4:C[6]-4:H-1:	B[5a](N[5,5a]N[5,5a]C[5])(N[5a]B[5a]N)(C[6]C[6]2H)2	C[6](B[5a]N[5,5a]N[5a]C[6])(C[6]C[6]HH)2(H)	C[6](B[5a]N[5,5a]N[5a]C[6])(C[6]C[6]HH)2(H)	B[5a](N[5,5a]N[5,5a]C[5])(N[5a]B[5a]N)(C[6]C[6]2H)2{1|C<3>,1|N<2>,6|C<4>,9|H<1>}	C[6](B[5a]N[5,5a]N[5a]C[6])(C[6]C[6]HH)2(H){1|B<4>,1|C<3>,1|N<2>,1|N<3>,3|C<4>,5|H<1>}	C[6](B[5a]N[5,5a]N[5a]C[6])(C[6]C[6]HH)2(H){1|B<4>,1|C<3>,1|N<2>,1|N<3>,3|C<4>,5|H<1>}	114.8180	0.000	1	114.8180	0.000	1	116.2420	4.056	2	115.8893	2.401	3	117.7248	7.853	5	117.7248	7.853	5
679	466	466	0:SP3_SP3_SP3	B[5a]	C[6]	C[6]	3:3:4:4:	4:4:4:1:	4:4:4:1:	N[5,5a]-3:N[5a]-3:C[6]-4:C[6]-4:	B[5a]-4:C[6]-4:C[6]-4:H-1:	B[5a]-4:C[6]-4:C[6]-4:H-1:	B[5a](N[5,5a]N[5,5a]N[5])(N[5a]B[5a]N)(C[6]C[6]2H)2	C[6](B[5a]N[5,5a]N[5a]C[6])(C[6]C[6]HH)2(H)	C[6](B[5a]N[5,5a]N[5a]C[6])(C[6]C[6]HH)2(H)	B[5a](N[5,5a]N[5,5a]N[5])(N[5a]B[5a]N)(C[6]C[6]2H)2{2|C<3>,6|C<4>,8|H<1>}	C[6](B[5a]N[5,5a]N[5a]C[6])(C[6]C[6]HH)2(H){1|B<4>,1|N<3>,2|N<2>,3|C<4>,5|H<1>}	C[6](B[5a]N[5,5a]N[5a]C[6])(C[6]C[6]HH)2(H){1|B<4>,1|N<3>,2|N<2>,3|C<4>,5|H<1>}	117.6660	0.000	1	117.6660	0.000	1	116.2420	4.056	2	115.8893	2.401	3	117.7248	7.853	5	117.7248	7.853	5
679	466	466	0:SP3_SP3_SP3	B[5a]	C[6]	C[6]	3:3:4:4:	4:4:4:1:	4:4:4:1:	N[5a]-3:C[5a]-3:C[6]-4:C[6]-4:	B[5a]-4:C[6]-4:C[6]-4:H-1:	B[5a]-4:C[6]-4:C[6]-4:H-1:	B[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]N)(C[6]C[6]2H)2	C[6](B[5a]C[5a]N[5a]C[6])(C[6]C[6]HH)2(H)	C[6](B[5a]C[5a]N[5a]C[6])(C[6]C[6]HH)2(H)	B[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]N)(C[6]C[6]2H)2{1|N<3>,2|C<3>,5|C<4>,8|H<1>}	C[6](B[5a]C[5a]N[5a]C[6])(C[6]C[6]HH)2(H){1|N<2>,1|N<3>,2|C<3>,3|C<4>,5|H<1>}	C[6](B[5a]C[5a]N[5a]C[6])(C[6]C[6]HH)2(H){1|N<2>,1|N<3>,2|C<3>,3|C<4>,5|H<1>}	115.1840	0.000	1	115.1840	0.000	1	115.1840	0.000	1	115.8893	2.401	3	117.7248	7.853	5	117.7248	7.853	5
679	466	466	0:SP3_SP3_SP3	B[5a]	C[6]	C[6]	3:4:4:2:	4:4:4:1:	4:4:4:1:	N[5,5a]-3:C[6]-4:C[6]-4:O[5a]-2:	B[5a]-4:C[6]-4:C[6]-4:H-1:	B[5a]-4:C[6]-4:C[6]-4:H-1:	B[5a](N[5,5a]C[5,5a]N[5])(C[6]C[6]2H)2(O[5a]C[5a])	C[6](B[5a]N[5,5a]O[5a]C[6])(C[6]C[6]HH)2(H)	C[6](B[5a]N[5,5a]O[5a]C[6])(C[6]C[6]HH)2(H)	B[5a](N[5,5a]C[5,5a]N[5])(C[6]C[6]2H)2(O[5a]C[5a]){1|C<3>,1|N<3>,1|O<2>,4|C<4>,8|H<1>}	C[6](B[5a]N[5,5a]O[5a]C[6])(C[6]C[6]HH)2(H){1|N<2>,2|C<3>,3|C<4>,5|H<1>}	C[6](B[5a]N[5,5a]O[5a]C[6])(C[6]C[6]HH)2(H){1|N<2>,2|C<3>,3|C<4>,5|H<1>}	120.4780	1.158	2	120.4780	1.342	2	120.4780	1.342	2	120.4780	1.342	2	117.7248	7.853	5	117.7248	7.853	5
679	466	466	6:SP3_SP3_SP3	B[5a,6,6]	C[6,6]	C[6,6]	3:3:4:4:	4:4:4:1:	4:4:4:1:	N[5a,6a]-3:N[5a,6a]-3:C[6,6]-4:C[6,6]-4:	B[5a,6,6]-4:C[6]-4:C[6]-4:H-1:	B[5a,6,6]-4:C[6]-4:C[6]-4:H-1:	B[5a,6,6](N[5a,6a]C[5a,6a]C[6a])2(C[6,6]C[6]2H)2	C[6,6](B[5a,6,6]N[5a,6a]2C[6,6])(C[6]C[6]HH)2(H)	C[6,6](B[5a,6,6]N[5a,6a]2C[6,6])(C[6]C[6]HH)2(H)	B[5a,6,6](N[5a,6a]C[5a,6a]C[6a])2(C[6,6]C[6]2H)2{10|H<1>,2|C<4>,4|C<3>}	C[6,6](B[5a,6,6]N[5a,6a]2C[6,6])(C[6]C[6]HH)2(H){2|C<4>,4|C<3>,5|H<1>}	C[6,6](B[5a,6,6]N[5a,6a]2C[6,6])(C[6]C[6]HH)2(H){2|C<4>,4|C<3>,5|H<1>}	107.4283	0.354	7	107.4283	0.125	7	107.4283	0.125	7	107.4283	0.125	7	107.1475	0.738	8	107.1475	0.738	8
679	466	466	6:SP3_SP3_SP3	B[5a,6,6]	C[6,6]	C[6,6]	3:4:4:3:	4:4:4:1:	4:4:4:1:	N[5a]-3:C[6,6]-4:C[6,6]-4:C[5a]-3:	B[5a,6,6]-4:C[6]-4:C[6]-4:H-1:	B[5a,6,6]-4:C[6]-4:C[6]-4:H-1:	B[5a,6,6](N[5a]C[5a]C[6a])(C[6,6]C[6]2H)2(C[5a]N[5a]N)	C[6,6](B[5a,6,6]C[6,6]C[5a]N[5a])(C[6]C[6]HH)2(H)	C[6,6](B[5a,6,6]C[6,6]C[5a]N[5a])(C[6]C[6]HH)2(H)	B[5a,6,6](N[5a]C[5a]C[6a])(C[6,6]C[6]2H)2(C[5a]N[5a]N){1|N<3>,2|C<3>,3|C<4>,8|H<1>}	C[6,6](B[5a,6,6]C[6,6]C[5a]N[5a])(C[6]C[6]HH)2(H){1|N<2>,1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](B[5a,6,6]C[6,6]C[5a]N[5a])(C[6]C[6]HH)2(H){1|N<2>,1|N<3>,2|C<3>,2|C<4>,5|H<1>}	105.1820	0.000	1	105.1820	0.000	1	105.1820	0.000	1	105.1820	0.000	1	107.1475	0.738	8	107.1475	0.738	8
679	466	537	0:SP3_SP2_SP3	B[5a]	C[6]	O[5a]	3:4:4:2:	4:4:4:1:	4:3:	N[5,5a]-3:C[6]-4:C[6]-4:O[5a]-2:	B[5a]-4:C[6]-4:C[6]-4:H-1:	B[5a]-4:C[5a]-3:	B[5a](N[5,5a]C[5,5a]N[5])(C[6]C[6]2H)2(O[5a]C[5a])	C[6](B[5a]N[5,5a]O[5a]C[6])(C[6]C[6]HH)2(H)	O[5a](B[5a]N[5,5a]C[6]2)(C[5a]C[5,5a]O)	B[5a](N[5,5a]C[5,5a]N[5])(C[6]C[6]2H)2(O[5a]C[5a]){1|C<3>,1|N<3>,1|O<2>,4|C<4>,8|H<1>}	C[6](B[5a]N[5,5a]O[5a]C[6])(C[6]C[6]HH)2(H){1|N<2>,2|C<3>,3|C<4>,5|H<1>}	O[5a](B[5a]N[5,5a]C[6]2)(C[5a]C[5,5a]O){1|C<3>,1|N<2>,2|H<1>,4|C<4>}	108.4755	1.351	4	108.4755	1.826	4	108.4755	1.826	4	108.4755	1.826	4	108.4755	1.826	4	108.4755	1.826	4
679	466	727	0:SP3_SP2_SP3	B[5a,6,6]	C[6,6]	C[5a]	3:4:4:3:	4:4:4:1:	4:3:2:	N[5a]-3:C[6,6]-4:C[6,6]-4:C[5a]-3:	B[5a,6,6]-4:C[6]-4:C[6]-4:H-1:	B[5a,6,6]-4:N[5a]-3:N-2:	B[5a,6,6](N[5a]C[5a]C[6a])(C[6,6]C[6]2H)2(C[5a]N[5a]N)	C[6,6](B[5a,6,6]C[6,6]C[5a]N[5a])(C[6]C[6]HH)2(H)	C[5a](B[5a,6,6]C[6,6]2N[5a])(N[5a]C[5a]C)(NC[6a])	B[5a,6,6](N[5a]C[5a]C[6a])(C[6,6]C[6]2H)2(C[5a]N[5a]N){1|N<3>,2|C<3>,3|C<4>,8|H<1>}	C[6,6](B[5a,6,6]C[6,6]C[5a]N[5a])(C[6]C[6]HH)2(H){1|N<2>,1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[5a](B[5a,6,6]C[6,6]2N[5a])(N[5a]C[5a]C)(NC[6a]){1|C<3>,1|N<3>,2|H<1>,4|C<4>}	115.8305	13.276	2	115.8305	176.250	2	115.8305	176.250	2	115.8305	176.250	2	115.8305	176.250	2	114.8188	49.789	5
679	466	727	0:SP3_SP2_SP3	B[5a]	C[6]	C[5a]	3:3:4:3:	4:4:4:1:	4:3:2:	C[5a]-3:N[5a]-3:C[6]-4:C[6]-3:	B[5a]-4:C[6]-4:C[6]-4:H-1:	B[5a]-4:N[5a]-3:N-2:	B[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(C[6]C[6]2H)(C[6]C[6]2)	C[6](B[5a]C[5a]N[5a]C[6])(C[6]C[6]HH)2(H)	C[5a](B[5a]N[5a]C[6]2)(N[5a]C[5a]C)(NC[6a])	B[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(C[6]C[6]2H)(C[6]C[6]2){1|N<3>,5|C<4>,8|H<1>}	C[6](B[5a]C[5a]N[5a]C[6])(C[6]C[6]HH)2(H){1|C<3>,1|N<2>,1|N<3>,4|C<4>,4|H<1>}	C[5a](B[5a]N[5a]C[6]2)(N[5a]C[5a]C)(NC[6a]){1|H<1>,1|N<3>,5|C<4>}	116.9190	0.000	1	116.9190	0.000	1	116.9190	0.000	1	116.9190	0.000	1	114.1443	9.746	3	114.8188	49.789	5
679	466	727	0:SP3_SP2_SP3	B[5a]	C[6]	C[5a]	3:3:4:4:	4:4:4:1:	4:3:2:	N[5a]-3:C[5a]-3:C[6]-4:C[6]-4:	B[5a]-4:C[6]-4:C[6]-4:H-1:	B[5a]-4:N[5a]-3:N-2:	B[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]N)(C[6]C[6]2H)2	C[6](B[5a]C[5a]N[5a]C[6])(C[6]C[6]HH)2(H)	C[5a](B[5a]N[5a]C[6]2)(N[5a]C[5a]C)(NC[6a])	B[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]N)(C[6]C[6]2H)2{1|N<3>,2|C<3>,5|C<4>,8|H<1>}	C[6](B[5a]C[5a]N[5a]C[6])(C[6]C[6]HH)2(H){1|N<2>,1|N<3>,2|C<3>,3|C<4>,5|H<1>}	C[5a](B[5a]N[5a]C[6]2)(N[5a]C[5a]C)(NC[6a]){1|C<3>,1|N<3>,2|H<1>,4|C<4>}	112.7570	2.819	2	112.7570	7.944	2	112.7570	7.944	2	112.7570	7.944	2	114.1443	9.746	3	114.8188	49.789	5
679	466	762	0:SP3_SP2_SP3	B[5a]	C[6]	C[6]	3:3:4:3:	4:4:4:1:	4:4:4:	C[5a]-3:N[5a]-3:C[6]-4:C[6]-3:	B[5a]-4:C[6]-4:C[6]-4:H-1:	B[5a]-4:C[6]-4:C[6]-4:	B[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(C[6]C[6]2H)(C[6]C[6]2)	C[6](B[5a]C[5a]N[5a]C[6])(C[6]C[6]HH)2(H)	C[6](B[5a]C[5a]N[5a]C[6])(C[6]C[6]HH)2	B[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(C[6]C[6]2H)(C[6]C[6]2){1|N<3>,5|C<4>,8|H<1>}	C[6](B[5a]C[5a]N[5a]C[6])(C[6]C[6]HH)2(H){1|C<3>,1|N<2>,1|N<3>,4|C<4>,4|H<1>}	C[6](B[5a]C[5a]N[5a]C[6])(C[6]C[6]HH)2{1|C<3>,1|N<2>,1|N<3>,4|C<4>,5|H<1>}	115.7120	0.000	1	115.7120	0.000	1	115.7120	0.000	1	115.7120	0.000	1	115.7120	0.000	1	115.7120	0.000	1
679	466	813	0:SP3_SP2_SP3	B[5a,6,6]	C[6,6]	N[5a,6a]	3:3:4:4:	4:4:4:1:	4:3:3:	N[5a,6a]-3:N[5a,6a]-3:C[6,6]-4:C[6,6]-4:	B[5a,6,6]-4:C[6]-4:C[6]-4:H-1:	B[5a,6,6]-4:C[5a,6a]-3:C[6a]-3:	B[5a,6,6](N[5a,6a]C[5a,6a]C[6a])2(C[6,6]C[6]2H)2	C[6,6](B[5a,6,6]N[5a,6a]2C[6,6])(C[6]C[6]HH)2(H)	N[5a,6a](B[5a,6,6]N[5a,6a]C[6,6]2)(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	B[5a,6,6](N[5a,6a]C[5a,6a]C[6a])2(C[6,6]C[6]2H)2{10|H<1>,2|C<4>,4|C<3>}	C[6,6](B[5a,6,6]N[5a,6a]2C[6,6])(C[6]C[6]HH)2(H){2|C<4>,4|C<3>,5|H<1>}	N[5a,6a](B[5a,6,6]N[5a,6a]C[6,6]2)(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|C<2>,3|C<3>,3|H<1>,4|C<4>}	113.4947	0.710	4	113.6005	1.938	28	113.6005	1.938	28	113.6005	1.938	28	113.6005	1.938	28	112.6296	5.914	45
679	466	813	0:SP3_SP2_SP3	B[5a,6,6]	C[6,6]	N[5a,6a]	3:3:4:4:	4:4:4:1:	4:3:3:	N[5a,6a]-3:N[5a,6a]-3:C[6,6]-4:C[6,6]-4:	B[5a,6,6]-4:C[6]-4:C[6]-4:H-1:	B[5a,6,6]-4:C[5a,6a]-3:C[6a]-3:	B[5a,6,6](N[5a,6a]C[5a,6a]C[6a])2(C[6,6]C[6]2H)2	C[6,6](B[5a,6,6]N[5a,6a]2C[6,6])(C[6]C[6]HH)2(H)	N[5a,6a](B[5a,6,6]N[5a,6a]C[6,6]2)(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	B[5a,6,6](N[5a,6a]C[5a,6a]C[6a])2(C[6,6]C[6]2H)2{10|H<1>,2|C<4>,4|C<3>}	C[6,6](B[5a,6,6]N[5a,6a]2C[6,6])(C[6]C[6]HH)2(H){2|C<4>,4|C<3>,5|H<1>}	N[5a,6a](B[5a,6,6]N[5a,6a]C[6,6]2)(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){3|C<3>,4|C<4>,4|H<1>}	113.6475	1.625	20	113.6005	1.938	28	113.6005	1.938	28	113.6005	1.938	28	113.6005	1.938	28	112.6296	5.914	45
679	466	813	0:SP3_SP2_SP3	B[5a,6,6]	C[6,6]	N[5a,6a]	3:3:4:4:	4:4:4:1:	4:3:3:	N[5a,6a]-3:N[5a,6a]-3:C[6,6]-4:C[6,6]-4:	B[5a,6,6]-4:C[6]-4:C[6]-4:H-1:	B[5a,6,6]-4:C[5a,6a]-3:C[6a]-3:	B[5a,6,6](N[5a,6a]C[5a,6a]C[6a])2(C[6,6]C[6]2H)2	C[6,6](B[5a,6,6]N[5a,6a]2C[6,6])(C[6]C[6]HH)2(H)	N[5a,6a](B[5a,6,6]N[5a,6a]C[6,6]2)(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	B[5a,6,6](N[5a,6a]C[5a,6a]C[6a])2(C[6,6]C[6]2H)2{10|H<1>,2|C<4>,4|C<3>}	C[6,6](B[5a,6,6]N[5a,6a]2C[6,6])(C[6]C[6]HH)2(H){2|C<4>,4|C<3>,5|H<1>}	N[5a,6a](B[5a,6,6]N[5a,6a]C[6,6]2)(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>,4|C<4>}	113.4715	0.413	4	113.6005	1.938	28	113.6005	1.938	28	113.6005	1.938	28	113.6005	1.938	28	112.6296	5.914	45
679	466	813	0:SP3_SP2_SP3	B[5a,6,6]	C[6,6]	N[5a]	3:4:4:3:	4:4:4:1:	4:3:3:	N[5a]-3:C[6,6]-4:C[6,6]-4:C[5a]-3:	B[5a,6,6]-4:C[6]-4:C[6]-4:H-1:	B[5a,6,6]-4:C[5a]-3:C[6a]-3:	B[5a,6,6](N[5a]C[5a]C[6a])(C[6,6]C[6]2H)2(C[5a]N[5a]N)	C[6,6](B[5a,6,6]C[6,6]C[5a]N[5a])(C[6]C[6]HH)2(H)	N[5a](B[5a,6,6]C[6,6]2C[5a])(C[5a]N[5a]N)(C[6a]C[6a]2)	B[5a,6,6](N[5a]C[5a]C[6a])(C[6,6]C[6]2H)2(C[5a]N[5a]N){1|N<3>,2|C<3>,3|C<4>,8|H<1>}	C[6,6](B[5a,6,6]C[6,6]C[5a]N[5a])(C[6]C[6]HH)2(H){1|N<2>,1|N<3>,2|C<3>,2|C<4>,5|H<1>}	N[5a](B[5a,6,6]C[6,6]2C[5a])(C[5a]N[5a]N)(C[6a]C[6a]2){1|N<2>,2|C<3>,4|H<1>,5|C<4>}	111.7980	7.648	2	111.7980	58.493	2	111.7980	58.493	2	111.7980	58.493	2	111.7980	58.493	2	112.6296	5.914	45
679	466	813	0:SP3_SP2_SP3	B[5a]	C[6]	N[5,5a]	3:3:4:4:	4:4:4:1:	3:4:2:	N[5,5a]-3:N[5a]-3:C[6]-4:C[6]-4:	B[5a]-4:C[6]-4:C[6]-4:H-1:	N[5,5a]-3:B[5a]-4:N[5]-2:	B[5a](N[5,5a]N[5,5a]N[5])(N[5a]B[5a]N)(C[6]C[6]2H)2	C[6](B[5a]N[5,5a]N[5a]C[6])(C[6]C[6]HH)2(H)	N[5,5a](N[5,5a]B[5a]C[5])(B[5a]N[5a]C[6]2)(N[5]C[5])	B[5a](N[5,5a]N[5,5a]N[5])(N[5a]B[5a]N)(C[6]C[6]2H)2{2|C<3>,6|C<4>,8|H<1>}	C[6](B[5a]N[5,5a]N[5a]C[6])(C[6]C[6]HH)2(H){1|B<4>,1|N<3>,2|N<2>,3|C<4>,5|H<1>}	N[5,5a](N[5,5a]B[5a]C[5])(B[5a]N[5a]C[6]2)(N[5]C[5]){1|N<2>,1|P<4>,3|H<1>,6|C<4>}	110.4815	0.805	2	110.4815	0.649	2	110.4815	0.649	2	110.4815	0.649	2	111.1425	5.078	8	112.6296	5.914	45
679	466	813	0:SP3_SP2_SP3	B[5a]	C[6]	N[5,5a]	3:3:4:4:	4:4:4:1:	3:4:3:	N[5,5a]-3:N[5a]-3:C[6]-4:C[6]-4:	B[5a]-4:C[6]-4:C[6]-4:H-1:	N[5,5a]-3:B[5a]-4:C[5]-3:	B[5a](N[5,5a]N[5,5a]C[5])(N[5a]B[5a]N)(C[6]C[6]2H)2	C[6](B[5a]N[5,5a]N[5a]C[6])(C[6]C[6]HH)2(H)	N[5,5a](N[5,5a]B[5a]N[5])(B[5a]N[5a]C[6]2)(C[5]C[5]H)	B[5a](N[5,5a]N[5,5a]C[5])(N[5a]B[5a]N)(C[6]C[6]2H)2{1|C<3>,1|N<2>,6|C<4>,9|H<1>}	C[6](B[5a]N[5,5a]N[5a]C[6])(C[6]C[6]HH)2(H){1|B<4>,1|C<3>,1|N<2>,1|N<3>,3|C<4>,5|H<1>}	N[5,5a](N[5,5a]B[5a]N[5])(B[5a]N[5a]C[6]2)(C[5]C[5]H){1|N<2>,1|P<4>,2|H<1>,6|C<4>}	111.9365	5.379	2	111.9365	28.933	2	111.9365	28.933	2	111.9365	28.933	2	111.1425	5.078	8	112.6296	5.914	45
679	466	813	0:SP3_SP2_SP3	B[5a]	C[6]	N[5,5a]	3:4:4:2:	4:4:4:1:	3:4:2:	N[5,5a]-3:C[6]-4:C[6]-4:O[5a]-2:	B[5a]-4:C[6]-4:C[6]-4:H-1:	C[5,5a]-3:B[5a]-4:N[5]-2:	B[5a](N[5,5a]C[5,5a]N[5])(C[6]C[6]2H)2(O[5a]C[5a])	C[6](B[5a]N[5,5a]O[5a]C[6])(C[6]C[6]HH)2(H)	N[5,5a](C[5,5a]C[5,5a]C[5a])(B[5a]O[5a]C[6]2)(N[5]N[5,5a])	B[5a](N[5,5a]C[5,5a]N[5])(C[6]C[6]2H)2(O[5a]C[5a]){1|C<3>,1|N<3>,1|O<2>,4|C<4>,8|H<1>}	C[6](B[5a]N[5,5a]O[5a]C[6])(C[6]C[6]HH)2(H){1|N<2>,2|C<3>,3|C<4>,5|H<1>}	N[5,5a](C[5,5a]C[5,5a]C[5a])(B[5a]O[5a]C[6]2)(N[5]N[5,5a]){1|B<4>,1|C<3>,1|O<2>,2|H<1>,4|C<4>}	111.0760	1.127	4	111.0760	1.270	4	111.0760	1.270	4	111.0760	1.270	4	111.1425	5.078	8	112.6296	5.914	45
679	466	813	0:SP3_SP2_SP3	B[5a]	C[6]	N[5a]	3:3:4:3:	4:4:4:1:	4:3:4:	C[5a]-3:N[5a]-3:C[6]-4:C[6]-3:	B[5a]-4:C[6]-4:C[6]-4:H-1:	B[5a]-4:C[5a]-3:C-4:	B[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(C[6]C[6]2H)(C[6]C[6]2)	C[6](B[5a]C[5a]N[5a]C[6])(C[6]C[6]HH)2(H)	N[5a](B[5a]C[5a]C[6]2)(C[5a]N[5a]N)(CCCH)	B[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(C[6]C[6]2H)(C[6]C[6]2){1|N<3>,5|C<4>,8|H<1>}	C[6](B[5a]C[5a]N[5a]C[6])(C[6]C[6]HH)2(H){1|C<3>,1|N<2>,1|N<3>,4|C<4>,4|H<1>}	N[5a](B[5a]C[5a]C[6]2)(C[5a]N[5a]N)(CCCH){1|H<1>,1|N<2>,5|C<4>}	107.8440	0.000	1	107.8440	0.000	1	107.8440	0.000	1	107.8440	0.000	1	110.6829	6.978	7	112.6296	5.914	45
679	466	813	0:SP3_SP2_SP3	B[5a]	C[6]	N[5a]	3:3:4:4:	4:4:4:1:	4:3:3:	N[5a]-3:C[5a]-3:C[6]-4:C[6]-4:	B[5a]-4:C[6]-4:C[6]-4:H-1:	B[5a]-4:C[5a]-3:C[6a]-3:	B[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]N)(C[6]C[6]2H)2	C[6](B[5a]C[5a]N[5a]C[6])(C[6]C[6]HH)2(H)	N[5a](B[5a]C[5a]C[6]2)(C[5a]N[5a]N)(C[6a]C[6a]2)	B[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]N)(C[6]C[6]2H)2{1|N<3>,2|C<3>,5|C<4>,8|H<1>}	C[6](B[5a]C[5a]N[5a]C[6])(C[6]C[6]HH)2(H){1|N<2>,1|N<3>,2|C<3>,3|C<4>,5|H<1>}	N[5a](B[5a]C[5a]C[6]2)(C[5a]N[5a]N)(C[6a]C[6a]2){1|N<2>,2|C<3>,4|H<1>,5|C<4>}	109.8135	3.746	2	109.8135	14.029	2	109.8135	14.029	2	109.8135	14.029	2	110.6829	6.978	7	112.6296	5.914	45
679	466	813	0:SP3_SP2_SP3	B[5a]	C[6]	N[5a]	3:3:4:4:	4:4:4:1:	4:4:2:	N[5,5a]-3:N[5a]-3:C[6]-4:C[6]-4:	B[5a]-4:C[6]-4:C[6]-4:H-1:	B[5a]-4:B[5a]-4:N-2:	B[5a](N[5,5a]N[5,5a]C[5])(N[5a]B[5a]N)(C[6]C[6]2H)2	C[6](B[5a]N[5,5a]N[5a]C[6])(C[6]C[6]HH)2(H)	N[5a](B[5a]N[5,5a]C[6]2)2(NN)	B[5a](N[5,5a]N[5,5a]C[5])(N[5a]B[5a]N)(C[6]C[6]2H)2{1|C<3>,1|N<2>,6|C<4>,9|H<1>}	C[6](B[5a]N[5,5a]N[5a]C[6])(C[6]C[6]HH)2(H){1|B<4>,1|C<3>,1|N<2>,1|N<3>,3|C<4>,5|H<1>}	N[5a](B[5a]N[5,5a]C[6]2)2(NN){1|C<3>,1|N<2>,4|H<1>,8|C<4>}	111.6705	2.186	2	111.6705	4.777	2	111.8272	4.343	4	111.8272	4.343	4	110.6829	6.978	7	112.6296	5.914	45
679	466	813	0:SP3_SP2_SP3	B[5a]	C[6]	N[5a]	3:3:4:4:	4:4:4:1:	4:4:2:	N[5,5a]-3:N[5a]-3:C[6]-4:C[6]-4:	B[5a]-4:C[6]-4:C[6]-4:H-1:	B[5a]-4:B[5a]-4:N-2:	B[5a](N[5,5a]N[5,5a]N[5])(N[5a]B[5a]N)(C[6]C[6]2H)2	C[6](B[5a]N[5,5a]N[5a]C[6])(C[6]C[6]HH)2(H)	N[5a](B[5a]N[5,5a]C[6]2)2(NN)	B[5a](N[5,5a]N[5,5a]N[5])(N[5a]B[5a]N)(C[6]C[6]2H)2{2|C<3>,6|C<4>,8|H<1>}	C[6](B[5a]N[5,5a]N[5a]C[6])(C[6]C[6]HH)2(H){1|B<4>,1|N<3>,2|N<2>,3|C<4>,5|H<1>}	N[5a](B[5a]N[5,5a]C[6]2)2(NN){1|C<3>,1|N<2>,4|H<1>,8|C<4>}	111.9840	2.855	2	111.9840	8.153	2	111.8272	4.343	4	111.8272	4.343	4	110.6829	6.978	7	112.6296	5.914	45
679	474	933	0:SP3_SP2_SP3	B[5,6a]	C[5]	O[6a]	4:2:2:2:	3:4:4:1:	4:3:	C[5]-4:O[5]-2:O[6a]-2:O[6a]-2:	C[5,6a]-3:B[5,6a]-4:N[6]-4:H-1:	B[5,6a]-4:B[6a]-3:	B[5,6a](C[5]C[5,6a]N[6]H)(O[5]C[5,6a])(O[6a]B[6a])2	C[5](C[5,6a]C[5,6a]C[6a])(B[5,6a]O[6a]2O[5])(N[6]C[6]2H)(H)	O[6a](B[5,6a]O[6a]C[5]O[5])(B[6a]O[6a]O)	B[5,6a](C[5]C[5,6a]N[6]H)(O[5]C[5,6a])(O[6a]B[6a])2{1|H<1>,2|C<3>,2|C<4>,3|O<2>}	C[5](C[5,6a]C[5,6a]C[6a])(B[5,6a]O[6a]2O[5])(N[6]C[6]2H)(H){2|B<3>,2|C<3>,2|C<4>,5|H<1>}	O[6a](B[5,6a]O[6a]C[5]O[5])(B[6a]O[6a]O){1|B<3>,1|H<1>,1|N<4>,2|C<3>}	111.9270	2.737	2	111.9270	7.488	2	111.9270	7.488	2	111.9270	7.488	2	111.9270	7.488	2	111.9270	7.488	2
679	474	976	5:SP3_SP2_SP3	B[5,6a]	C[5]	O[5]	4:2:2:2:	3:4:4:1:	3:4:	C[5]-4:O[5]-2:O[6a]-2:O[6a]-2:	C[5,6a]-3:B[5,6a]-4:N[6]-4:H-1:	C[5,6a]-3:B[5,6a]-4:	B[5,6a](C[5]C[5,6a]N[6]H)(O[5]C[5,6a])(O[6a]B[6a])2	C[5](C[5,6a]C[5,6a]C[6a])(B[5,6a]O[6a]2O[5])(N[6]C[6]2H)(H)	O[5](C[5,6a]C[5,6a]C[6a])(B[5,6a]O[6a]2C[5])	B[5,6a](C[5]C[5,6a]N[6]H)(O[5]C[5,6a])(O[6a]B[6a])2{1|H<1>,2|C<3>,2|C<4>,3|O<2>}	C[5](C[5,6a]C[5,6a]C[6a])(B[5,6a]O[6a]2O[5])(N[6]C[6]2H)(H){2|B<3>,2|C<3>,2|C<4>,5|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(B[5,6a]O[6a]2C[5]){1|N<4>,2|B<3>,2|C<3>,2|H<1>}	103.4740	0.000	1	103.4740	0.000	1	103.4740	0.000	1	103.4740	0.000	1	103.4740	0.000	1	103.4740	0.000	1
679	490	490	0:SP3_SP3_SP3	B[5a]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5a,6a]-3:N[5,5a]-3:C-4:C-4:	B[5a]-4:H-1:H-1:H-1:	B[5a]-4:H-1:H-1:H-1:	B[5a](C[5a,6a]C[5a,6a]C[6a])(N[5,5a]N[5,5a]C[5])(CH3)2	C(B[5a]C[5a,6a]N[5,5a]C)(H)3	C(B[5a]C[5a,6a]N[5,5a]C)(H)3	B[5a](C[5a,6a]C[5a,6a]C[6a])(N[5,5a]N[5,5a]C[5])(CH3)2{1|H<1>,5|C<3>}	C(B[5a]C[5a,6a]N[5,5a]C)(H)3	C(B[5a]C[5a,6a]N[5,5a]C)(H)3	115.4117	1.382	4	115.4117	1.910	4	115.4117	1.910	4	115.4117	1.910	4	115.0140	1.933	9	115.0140	1.933	9
679	490	490	0:SP3_SP3_SP3	B[5a]	C	C	3:3:4:4:	4:4:1:1:	4:4:1:1:	N[5a,5a]-3:C[5a,5a]-3:C-4:C-4:	B[5a]-4:C-4:H-1:H-1:	B[5a]-4:C-4:H-1:H-1:	B[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a,5a]N[5a,5a]N[5a])(CCHH)2	C(B[5a]C[5a,5a]N[5a,5a]C)(CH3)(H)2	C(B[5a]C[5a,5a]N[5a,5a]C)(CH3)(H)2	B[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a,5a]N[5a,5a]N[5a])(CCHH)2{1|C<4>,5|C<3>}	C(B[5a]C[5a,5a]N[5a,5a]C)(CH3)(H)2	C(B[5a]C[5a,5a]N[5a,5a]C)(CH3)(H)2	113.2030	0.000	1	113.2030	0.000	1	113.2030	0.000	1	114.6958	2.148	5	115.0140	1.933	9	115.0140	1.933	9
679	490	490	0:SP3_SP3_SP3	B[5a]	C	C	3:3:4:4:	4:4:1:1:	4:4:1:1:	N[5a,6a]-3:C[5,5a]-3:C-4:C-4:	B[5a]-4:C-4:H-1:H-1:	B[5a]-4:C-4:H-1:H-1:	B[5a](N[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]N[5])(CCHH)2	C(B[5a]N[5a,6a]C[5,5a]C)(CH3)(H)2	C(B[5a]N[5a,6a]C[5,5a]C)(CH3)(H)2	B[5a](N[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]N[5])(CCHH)2{1|C<4>,1|N<3>,1|O<1>,3|C<3>}	C(B[5a]N[5a,6a]C[5,5a]C)(CH3)(H)2	C(B[5a]N[5a,6a]C[5,5a]C)(CH3)(H)2	115.3295	1.296	2	115.3295	1.680	2	115.3295	1.680	2	114.6958	2.148	5	115.0140	1.933	9	115.0140	1.933	9
679	490	490	0:SP3_SP3_SP3	B[5a]	C	C	3:3:4:4:	4:4:1:1:	4:4:1:1:	N[5a,6a]-3:N[5a]-3:C-4:C-4:	B[5a]-4:C-4:H-1:H-1:	B[5a]-4:C-4:H-1:H-1:	B[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(CCHH)2	C(B[5a]N[5a,6a]N[5a]C)(CH3)(H)2	C(B[5a]N[5a,6a]N[5a]C)(CH3)(H)2	B[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(CCHH)2{1|H<1>,3|C<3>}	C(B[5a]N[5a,6a]N[5a]C)(CH3)(H)2	C(B[5a]N[5a,6a]N[5a]C)(CH3)(H)2	114.8085	1.964	2	114.8085	3.856	2	114.8085	3.856	2	114.6958	2.148	5	115.0140	1.933	9	115.0140	1.933	9
679	490	537	0:SP3_SP2_SP3	B[5a]	C	O[5a]	2:2:3:4:	4:1:1:1:	3:4:	O[5a]-2:O[5a]-2:N[6]-3:C-4:	B[5a]-4:H-1:H-1:H-1:	C[5a,6a]-3:B[5a]-4:	B[5a](O[5a]C[5a,6a])2(N[6]C[6]2)(CH3)	C(B[5a]O[5a]2N[6])(H)3	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]N[6]C)	B[5a](O[5a]C[5a,6a])2(N[6]C[6]2)(CH3){2|H<1>,4|C<3>}	C(B[5a]O[5a]2N[6])(H)3	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]N[6]C){1|H<1>,4|C<3>}	115.7005	0.709	4	115.7005	0.503	4	115.7005	0.503	4	115.7005	0.503	4	115.7016	6.716	10	115.7016	6.716	10
679	490	537	0:SP3_SP2_SP3	B[5a]	C	O[5a]	2:2:4:3:	4:3:4:1:	3:4:	O[5a]-2:O[5a]-2:C-4:N[6]-3:	B[5a]-4:C[6a]-3:Si-4:H-1:	C[5a,6a]-3:B[5a]-4:	B[5a](O[5a]C[5a,6a])2(CC[6a]SiH)(N[6]C[6]2)	C(B[5a]O[5a]2N[6])(C[6a]C[6a]2)(SiC3)(H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]N[6]C)	B[5a](O[5a]C[5a,6a])2(CC[6a]SiH)(N[6]C[6]2){2|H<1>,4|C<3>}	C(B[5a]O[5a]2N[6])(C[6a]C[6a]2)(SiC3)(H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]N[6]C){1|H<1>,4|C<3>}	115.7023	3.433	6	115.7023	11.786	6	115.7023	11.786	6	115.7023	11.786	6	115.7016	6.716	10	115.7016	6.716	10
679	490	727	0:SP3_SP2_SP3	B[5a]	C	C[5,5a]	3:3:4:4:	4:4:1:1:	3:4:3:	N[5a,6a]-3:C[5,5a]-3:C-4:C-4:	B[5a]-4:C-4:H-1:H-1:	N[5,5a]-3:B[5a]-4:N[5]-3:	B[5a](N[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]N[5])(CCHH)2	C(B[5a]N[5a,6a]C[5,5a]C)(CH3)(H)2	C[5,5a](N[5,5a]C[5a,6a]C[5])(B[5a]N[5a,6a]CC)(N[5]C[5]C)	B[5a](N[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]N[5])(CCHH)2{1|C<4>,1|N<3>,1|O<1>,3|C<3>}	C(B[5a]N[5a,6a]C[5,5a]C)(CH3)(H)2	C[5,5a](N[5,5a]C[5a,6a]C[5])(B[5a]N[5a,6a]CC)(N[5]C[5]C){2|C<3>,2|H<1>}	112.4382	0.992	4	112.4382	0.983	4	112.4382	0.983	4	112.4382	0.983	4	112.4382	0.983	4	112.1287	4.132	14
679	490	727	0:SP3_SP2_SP3	B[5a]	C	C[5a,5a]	3:3:4:4:	4:4:1:1:	3:4:3:	N[5a,5a]-3:C[5a,5a]-3:C-4:C-4:	B[5a]-4:C-4:H-1:H-1:	N[5a,5a]-3:B[5a]-4:N[5a]-3:	B[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a,5a]N[5a,5a]N[5a])(CCHH)2	C(B[5a]C[5a,5a]N[5a,5a]C)(CH3)(H)2	C[5a,5a](N[5a,5a]C[5a,5a]C[5a])(B[5a]N[5a,5a]CC)(N[5a]C[5a]C)	B[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a,5a]N[5a,5a]N[5a])(CCHH)2{1|C<4>,5|C<3>}	C(B[5a]C[5a,5a]N[5a,5a]C)(CH3)(H)2	C[5a,5a](N[5a,5a]C[5a,5a]C[5a])(B[5a]N[5a,5a]CC)(N[5a]C[5a]C){2|C<3>,2|H<1>}	113.0775	1.729	2	113.0775	2.989	2	113.0775	2.989	2	113.0775	2.989	2	113.0775	2.989	2	112.1287	4.132	14
679	490	727	0:SP3_SP2_SP3	B[5a]	C	C[5a,6a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[5a,6a]-3:N[5,5a]-3:C-4:C-4:	B[5a]-4:H-1:H-1:H-1:	C[5a,6a]-3:B[5a]-4:C[6a]-3:	B[5a](C[5a,6a]C[5a,6a]C[6a])(N[5,5a]N[5,5a]C[5])(CH3)2	C(B[5a]C[5a,6a]N[5,5a]C)(H)3	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(B[5a]N[5,5a]CC)(C[6a]C[6a]H)	B[5a](C[5a,6a]C[5a,6a]C[6a])(N[5,5a]N[5,5a]C[5])(CH3)2{1|H<1>,5|C<3>}	C(B[5a]C[5a,6a]N[5,5a]C)(H)3	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(B[5a]N[5,5a]CC)(C[6a]C[6a]H){1|H<1>,4|C<3>}	111.7368	2.517	8	111.7368	6.337	8	111.7368	6.337	8	111.7368	6.337	8	111.7368	6.337	8	112.1287	4.132	14
679	490	813	0:SP3_SP2_SP3	B[5a]	C	N[5,5a]	3:3:4:4:	4:1:1:1:	3:4:3:	C[5a,6a]-3:N[5,5a]-3:C-4:C-4:	B[5a]-4:H-1:H-1:H-1:	N[5,5a]-3:B[5a]-4:C[5]-3:	B[5a](C[5a,6a]C[5a,6a]C[6a])(N[5,5a]N[5,5a]C[5])(CH3)2	C(B[5a]C[5a,6a]N[5,5a]C)(H)3	N[5,5a](N[5,5a]C[5a,6a]C[5])(B[5a]C[5a,6a]CC)(C[5]C[6a]C[5])	B[5a](C[5a,6a]C[5a,6a]C[6a])(N[5,5a]N[5,5a]C[5])(CH3)2{1|H<1>,5|C<3>}	C(B[5a]C[5a,6a]N[5,5a]C)(H)3	N[5,5a](N[5,5a]C[5a,6a]C[5])(B[5a]C[5a,6a]CC)(C[5]C[6a]C[5]){1|H<1>,5|C<3>}	110.5296	1.549	8	110.5296	2.401	8	110.5296	2.401	8	110.5296	2.401	8	110.5296	2.401	8	111.1153	2.790	25
679	490	813	0:SP3_SP2_SP3	B[5a]	C	N[5a,5a]	3:3:4:4:	4:1:1:1:	3:3:4:	N[5a,5a]-3:N[5a,6]-3:C[5]-4:C-4:	B[5a]-4:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,5a]-3:B[5a]-4:	B[5a](N[5a,5a]C[5a,5a]C[5a,6a])(N[5a,6]C[5a,6]C[6])(C[5]C[5]2Fe)(CH3)	C(B[5a]N[5a,5a]N[5a,6]C[5])(H)3	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,6]C[5a])(B[5a]N[5a,6]C[5]C)	B[5a](N[5a,5a]C[5a,5a]C[5a,6a])(N[5a,6]C[5a,6]C[6])(C[5]C[5]2Fe)(CH3){2|C<4>,3|H<1>,5|C<3>}	C(B[5a]N[5a,5a]N[5a,6]C[5])(H)3	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,6]C[5a])(B[5a]N[5a,6]C[5]C){1|Fe<10>,2|C<4>,2|H<1>,4|C<3>}	116.4410	0.000	1	116.4410	0.000	1	116.4410	0.000	1	116.4410	0.000	1	113.1593	9.366	3	111.1153	2.790	25
679	490	813	0:SP3_SP2_SP3	B[5a]	C	N[5a,5a]	3:3:4:4:	4:4:1:1:	3:3:4:	N[5a,5a]-3:C[5a,5a]-3:C-4:C-4:	B[5a]-4:C-4:H-1:H-1:	C[5a,5a]-3:C[5a,6a]-3:B[5a]-4:	B[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a,5a]N[5a,5a]N[5a])(CCHH)2	C(B[5a]C[5a,5a]N[5a,5a]C)(CH3)(H)2	N[5a,5a](C[5a,5a]N[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(B[5a]C[5a,5a]CC)	B[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a,5a]N[5a,5a]N[5a])(CCHH)2{1|C<4>,5|C<3>}	C(B[5a]C[5a,5a]N[5a,5a]C)(CH3)(H)2	N[5a,5a](C[5a,5a]N[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(B[5a]C[5a,5a]CC){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	111.5185	1.606	2	111.5185	2.579	2	111.5185	2.579	2	111.5185	2.579	2	113.1593	9.366	3	111.1153	2.790	25
679	490	813	0:SP3_SP2_SP3	B[5a]	C	N[5a,6]	3:3:4:4:	4:1:1:1:	3:4:3:	N[5a,5a]-3:N[5a,6]-3:C[5]-4:C-4:	B[5a]-4:H-1:H-1:H-1:	C[5a,6]-3:B[5a]-4:C[6]-3:	B[5a](N[5a,5a]C[5a,5a]C[5a,6a])(N[5a,6]C[5a,6]C[6])(C[5]C[5]2Fe)(CH3)	C(B[5a]N[5a,5a]N[5a,6]C[5])(H)3	N[5a,6](C[5a,6]C[5a,5a]C[6])(B[5a]N[5a,5a]C[5]C)(C[6]C[6]H)	B[5a](N[5a,5a]C[5a,5a]C[5a,6a])(N[5a,6]C[5a,6]C[6])(C[5]C[5]2Fe)(CH3){2|C<4>,3|H<1>,5|C<3>}	C(B[5a]N[5a,5a]N[5a,6]C[5])(H)3	N[5a,6](C[5a,6]C[5a,5a]C[6])(B[5a]N[5a,5a]C[5]C)(C[6]C[6]H){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	110.0360	0.000	1	110.0360	0.000	1	110.0360	0.000	1	110.0360	0.000	1	110.0360	0.000	1	111.1153	2.790	25
679	490	813	0:SP3_SP2_SP3	B[5a]	C	N[5a,6a]	3:3:4:4:	4:2:1:1:	3:4:3:	N[5a,6a]-3:N[5a,6a]-3:C[5]-4:C-4:	B[5a]-4:C-2:H-1:H-1:	C[5a,6a]-3:B[5a]-4:C[6a]-3:	B[5a](N[5a,6a]C[5a,6a]C[6a])2(C[5]C[5]2Fe)(CCHH)	C(B[5a]N[5a,6a]2C[5])(CN)(H)2	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]C[5]C)(C[6a]C[6a]H)	B[5a](N[5a,6a]C[5a,6a]C[6a])2(C[5]C[5]2Fe)(CCHH){2|C<4>,4|C<3>,4|H<1>}	C(B[5a]N[5a,6a]2C[5])(CN)(H)2	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]C[5]C)(C[6a]C[6a]H){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	109.7970	1.690	2	109.7970	2.856	2	109.7970	2.856	2	109.7970	2.856	2	110.6837	1.258	9	111.1153	2.790	25
679	490	813	0:SP3_SP2_SP3	B[5a]	C	N[5a,6a]	3:3:4:4:	4:4:1:1:	3:4:3:	N[5a,6a]-3:C[5,5a]-3:C-4:C-4:	B[5a]-4:C-4:H-1:H-1:	C[5a,6a]-3:B[5a]-4:C[6a]-3:	B[5a](N[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]N[5])(CCHH)2	C(B[5a]N[5a,6a]C[5,5a]C)(CH3)(H)2	N[5a,6a](C[5a,6a]N[5,5a]C[6a])(B[5a]C[5,5a]CC)(C[6a]N[6a]O)	B[5a](N[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]N[5])(CCHH)2{1|C<4>,1|N<3>,1|O<1>,3|C<3>}	C(B[5a]N[5a,6a]C[5,5a]C)(CH3)(H)2	N[5a,6a](C[5a,6a]N[5,5a]C[6a])(B[5a]C[5,5a]CC)(C[6a]N[6a]O){1|N<3>,2|C<3>,2|H<1>}	111.2317	0.437	3	111.2317	0.191	3	111.2317	0.191	3	110.9370	0.865	7	110.6837	1.258	9	111.1153	2.790	25
679	490	813	0:SP3_SP2_SP3	B[5a]	C	N[5a,6a]	3:3:4:4:	4:4:1:1:	3:4:3:	N[5a,6a]-3:N[5a]-3:C-4:C-4:	B[5a]-4:C-4:H-1:H-1:	C[5a,6a]-3:B[5a]-4:C[6a]-3:	B[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(CCHH)2	C(B[5a]N[5a,6a]N[5a]C)(CH3)(H)2	N[5a,6a](C[5a,6a]C[5a]C[6a])(B[5a]N[5a]CC)(C[6a]C[6a]H)	B[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(CCHH)2{1|H<1>,3|C<3>}	C(B[5a]N[5a,6a]N[5a]C)(CH3)(H)2	N[5a,6a](C[5a,6a]C[5a]C[6a])(B[5a]N[5a]CC)(C[6a]C[6a]H){2|C<3>,3|H<1>}	110.7160	1.204	4	110.7160	1.450	4	110.7160	1.450	4	110.9370	0.865	7	110.6837	1.258	9	111.1153	2.790	25
679	490	813	0:SP3_SP2_SP3	B[5a]	C	N[5a]	3:3:4:4:	4:4:1:1:	3:4:1:	N[5a,6a]-3:N[5a]-3:C-4:C-4:	B[5a]-4:C-4:H-1:H-1:	C[5a]-3:B[5a]-4:H-1:	B[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(CCHH)2	C(B[5a]N[5a,6a]N[5a]C)(CH3)(H)2	N[5a](C[5a]C[5a,6a]C[6a])(B[5a]N[5a,6a]CC)(H)	B[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(CCHH)2{1|H<1>,3|C<3>}	C(B[5a]N[5a,6a]N[5a]C)(CH3)(H)2	N[5a](C[5a]C[5a,6a]C[6a])(B[5a]N[5a,6a]CC)(H){1|N<2>,3|C<3>}	111.9947	0.218	4	111.9947	0.048	4	111.9947	0.048	4	111.9947	0.048	4	111.9947	0.048	4	111.1153	2.790	25
679	490	856	0:SP3_SP2_SP3	B[5a]	C	N[6]	2:2:3:4:	4:1:1:1:	4:3:3:	O[5a]-2:O[5a]-2:N[6]-3:C-4:	B[5a]-4:H-1:H-1:H-1:	B[5a]-4:C[6]-3:C[6]-3:	B[5a](O[5a]C[5a,6a])2(N[6]C[6]2)(CH3)	C(B[5a]O[5a]2N[6])(H)3	N[6](B[5a]O[5a]2C)(C[6]C[6]H)2	B[5a](O[5a]C[5a,6a])2(N[6]C[6]2)(CH3){2|H<1>,4|C<3>}	C(B[5a]O[5a]2N[6])(H)3	N[6](B[5a]O[5a]2C)(C[6]C[6]H)2{2|H<1>,3|C<3>}	107.2910	0.676	2	107.2910	0.457	2	107.2910	0.457	2	107.2910	0.457	2	107.6278	0.341	5	107.6278	0.341	5
679	490	856	0:SP3_SP2_SP3	B[5a]	C	N[6]	2:2:4:3:	4:3:4:1:	4:3:3:	O[5a]-2:O[5a]-2:C-4:N[6]-3:	B[5a]-4:C[6a]-3:Si-4:H-1:	B[5a]-4:C[6]-3:C[6]-3:	B[5a](O[5a]C[5a,6a])2(CC[6a]SiH)(N[6]C[6]2)	C(B[5a]O[5a]2N[6])(C[6a]C[6a]2)(SiC3)(H)	N[6](B[5a]O[5a]2C)(C[6]C[6]H)2	B[5a](O[5a]C[5a,6a])2(CC[6a]SiH)(N[6]C[6]2){2|H<1>,4|C<3>}	C(B[5a]O[5a]2N[6])(C[6a]C[6a]2)(SiC3)(H)	N[6](B[5a]O[5a]2C)(C[6]C[6]H)2{2|H<1>,3|C<3>}	107.8523	0.515	3	107.8523	0.265	3	107.8523	0.265	3	107.8523	0.265	3	107.6278	0.341	5	107.6278	0.341	5
679	537	537	0:SP3_SP2_SP2	B[5a,5a]	O[5a]	O[5a]	2:2:2:2:	3:4:	3:4:	O[5a]-2:O[5a]-2:O[5a]-2:O[5a]-2:	C[5a,6a]-3:B[5a,5a]-4:	C[5a,6a]-3:B[5a,5a]-4:	B[5a,5a](O[5a]C[5a,6a])4	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,5a]O[5a]3)	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,5a]O[5a]3)	B[5a,5a](O[5a]C[5a,6a])4{4|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,5a]O[5a]3){1|C<4>,4|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,5a]O[5a]3){1|C<4>,4|C<3>}	112.6435	0.565	2	111.8480	2.724	104	111.8399	2.630	108	111.8399	2.630	108	111.8640	2.669	109	111.8640	2.669	109
679	537	537	0:SP3_SP2_SP2	B[5a,5a]	O[5a]	O[5a]	2:2:2:2:	3:4:	3:4:	O[5a]-2:O[5a]-2:O[5a]-2:O[5a]-2:	C[5a,6a]-3:B[5a,5a]-4:	C[5a,6a]-3:B[5a,5a]-4:	B[5a,5a](O[5a]C[5a,6a])4	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,5a]O[5a]3)	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,5a]O[5a]3)	B[5a,5a](O[5a]C[5a,6a])4{4|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,5a]O[5a]3){1|C<4>,4|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,5a]O[5a]3){1|H<1>,4|C<3>}	111.0630	1.365	4	111.8480	2.724	104	111.8399	2.630	108	111.8399	2.630	108	111.8640	2.669	109	111.8640	2.669	109
679	537	537	0:SP3_SP2_SP2	B[5a,5a]	O[5a]	O[5a]	2:2:2:2:	3:4:	3:4:	O[5a]-2:O[5a]-2:O[5a]-2:O[5a]-2:	C[5a,6a]-3:B[5a,5a]-4:	C[5a,6a]-3:B[5a,5a]-4:	B[5a,5a](O[5a]C[5a,6a])4	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,5a]O[5a]3)	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,5a]O[5a]3)	B[5a,5a](O[5a]C[5a,6a])4{4|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,5a]O[5a]3){1|Cl<1>,4|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,5a]O[5a]3){1|Cl<1>,4|C<3>}	111.6980	1.200	4	111.8480	2.724	104	111.8399	2.630	108	111.8399	2.630	108	111.8640	2.669	109	111.8640	2.669	109
679	537	537	0:SP3_SP2_SP2	B[5a,5a]	O[5a]	O[5a]	2:2:2:2:	3:4:	3:4:	O[5a]-2:O[5a]-2:O[5a]-2:O[5a]-2:	C[5a,6a]-3:B[5a,5a]-4:	C[5a,6a]-3:B[5a,5a]-4:	B[5a,5a](O[5a]C[5a,6a])4	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,5a]O[5a]3)	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,5a]O[5a]3)	B[5a,5a](O[5a]C[5a,6a])4{4|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,5a]O[5a]3){1|H<1>,4|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,5a]O[5a]3){1|H<1>,4|C<3>}	112.0522	1.580	67	111.8480	2.724	104	111.8399	2.630	108	111.8399	2.630	108	111.8640	2.669	109	111.8640	2.669	109
679	537	537	0:SP3_SP2_SP2	B[5a,5a]	O[5a]	O[5a]	2:2:2:2:	3:4:	3:4:	O[5a]-2:O[5a]-2:O[5a]-2:O[5a]-2:	C[5a,6a]-3:B[5a,5a]-4:	C[5a,6a]-3:B[5a,5a]-4:	B[5a,5a](O[5a]C[5a,6a])4	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,5a]O[5a]3)	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,5a]O[5a]3)	B[5a,5a](O[5a]C[5a,6a])4{4|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,5a]O[5a]3){1|H<1>,4|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,5a]O[5a]3){5|C<3>}	110.3321	1.259	18	111.8480	2.724	104	111.8399	2.630	108	111.8399	2.630	108	111.8640	2.669	109	111.8640	2.669	109
679	537	537	0:SP3_SP2_SP2	B[5a,5a]	O[5a]	O[5a]	2:2:2:2:	3:4:	3:4:	O[5a]-2:O[5a]-2:O[5a]-2:O[5a]-2:	C[5a,6a]-3:B[5a,5a]-4:	C[5a,6a]-3:B[5a,5a]-4:	B[5a,5a](O[5a]C[5a,6a])4	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,5a]O[5a]3)	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,5a]O[5a]3)	B[5a,5a](O[5a]C[5a,6a])4{4|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,5a]O[5a]3){5|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,5a]O[5a]3){5|C<3>}	113.5984	0.633	9	111.8480	2.724	104	111.8399	2.630	108	111.8399	2.630	108	111.8640	2.669	109	111.8640	2.669	109
679	537	537	0:SP3_SP2_SP2	B[5a,5a]	O[5a]	O[5a]	2:2:2:2:	3:4:	3:4:	O[5a]-2:O[5a]-2:O[5a]-2:O[5a]-2:	C[5a,6a]-3:B[5a,5a]-4:	C[5a,6a]-3:B[5a,5a]-4:	B[5a,5a](O[5a]C[5a,6a])4	O[5a](C[5a,6a]C[5a,6a]N[6a])(B[5a,5a]O[5a]3)	O[5a](C[5a,6a]C[5a,6a]N[6a])(B[5a,5a]O[5a]3)	B[5a,5a](O[5a]C[5a,6a])4{4|N<2>}	O[5a](C[5a,6a]C[5a,6a]N[6a])(B[5a,5a]O[5a]3){1|N<2>,3|C<3>}	O[5a](C[5a,6a]C[5a,6a]N[6a])(B[5a,5a]O[5a]3){1|N<2>,3|C<3>}	111.6305	0.460	4	111.6305	0.211	4	111.8399	2.630	108	111.8399	2.630	108	111.8640	2.669	109	111.8640	2.669	109
679	537	537	0:SP3_SP2_SP2	B[5a,5a]	O[5a]	O[5a]	3:2:3:2:	4:3:	4:2:	N[5a,5a]-3:O[5a]-2:C[6a]-3:O[5a]-2:	B[5a,5a]-4:C[5a,6a]-3:	B[5a,5a]-4:N[5a]-2:	B[5a,5a](N[5a,5a]C[5a,6a]C[5a])(O[5a]C[5a,6a])(C[6a]C[6a]2)(O[5a]N[5a])	O[5a](B[5a,5a]N[5a,5a]C[6a]O[5a])(C[5a,6a]C[5a,6a]C[6a])	O[5a](B[5a,5a]N[5a,5a]C[6a]O[5a])(N[5a]C[5a])	B[5a,5a](N[5a,5a]C[5a,6a]C[5a])(O[5a]C[5a,6a])(C[6a]C[6a]2)(O[5a]N[5a]){2|H<1>,5|C<3>}	O[5a](B[5a,5a]N[5a,5a]C[6a]O[5a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	O[5a](B[5a,5a]N[5a,5a]C[6a]O[5a])(N[5a]C[5a]){5|C<3>}	114.4640	0.000	1	114.4640	0.000	1	114.4640	0.000	1	114.4640	0.000	1	111.8640	2.669	109	111.8640	2.669	109
679	537	537	5:SP3_SP2_SP2	B[5,5a]	O[5a]	O[5a]	2:2:2:2:	3:4:	3:4:	O[5a]-2:O[5a]-2:O[5]-2:O[5]-2:	C[5a,6a]-3:B[5,5a]-4:	C[5a,6a]-3:B[5,5a]-4:	B[5,5a](O[5a]C[5a,6a])2(O[5]C[5,6])(O[5]P[5])	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5,5a]O[5a]O[5]2)	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5,5a]O[5a]O[5]2)	B[5,5a](O[5a]C[5a,6a])2(O[5]C[5,6])(O[5]P[5]){2|C<4>,4|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5,5a]O[5a]O[5]2){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5,5a]O[5a]O[5]2){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	105.5940	0.000	1	105.5940	0.000	1	106.7202	0.901	4	107.0304	1.157	5	106.4151	1.183	18	105.6066	3.017	155
679	537	537	5:SP3_SP2_SP2	B[5,5a]	O[5a]	O[5a]	2:2:2:2:	3:4:	3:4:	O[5a]-2:O[5a]-2:O[5]-2:O[5]-2:	C[5a,6a]-3:B[5,5a]-4:	C[5a,6a]-3:B[5,5a]-4:	B[5,5a](O[5a]C[5a,6a])2(O[5]C[5,6])2	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5,5a]O[5a]O[5]2)	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5,5a]O[5a]O[5]2)	B[5,5a](O[5a]C[5a,6a])2(O[5]C[5,6])2{1|Rh<8>,2|C<3>,2|C<4>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5,5a]O[5a]O[5]2){1|H<1>,2|C<3>,2|C<4>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5,5a]O[5a]O[5]2){1|H<1>,2|C<3>,2|C<4>}	106.4590	0.000	1	106.4590	0.000	1	106.7202	0.901	4	107.0304	1.157	5	106.4151	1.183	18	105.6066	3.017	155
679	537	537	5:SP3_SP2_SP2	B[5,5a]	O[5a]	O[5a]	2:2:2:2:	3:4:	3:4:	O[5a]-2:O[5a]-2:O[5]-2:O[5]-2:	C[5a,6a]-3:B[5,5a]-4:	C[5a,6a]-3:B[5,5a]-4:	B[5,5a](O[5a]C[5a,6a])2(O[5]C[5])(O[5]P[5])	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5,5a]O[5a]O[5]2)	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5,5a]O[5a]O[5]2)	B[5,5a](O[5a]C[5a,6a])2(O[5]C[5])(O[5]P[5]){1|N<2>,2|C<3>,2|C<4>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5,5a]O[5a]O[5]2){1|H<1>,1|P<4>,3|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5,5a]O[5a]O[5]2){1|H<1>,1|P<4>,3|C<3>}	107.4140	0.636	2	107.4140	0.405	2	106.7202	0.901	4	107.0304	1.157	5	106.4151	1.183	18	105.6066	3.017	155
679	537	537	5:SP3_SP2_SP2	B[5,5a]	O[5a]	O[5a]	2:2:2:2:	3:4:	3:4:	O[5a]-2:O[5a]-2:O[5]-2:S[5]-2:	C[5a,6a]-3:B[5,5a]-4:	C[5a,6a]-3:B[5,5a]-4:	B[5,5a](O[5a]C[5a,6a])2(O[5]P[5])(S[5]C[5])	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5,5a]O[5a]O[5]S[5])	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5,5a]O[5a]O[5]S[5])	B[5,5a](O[5a]C[5a,6a])2(O[5]P[5])(S[5]C[5]){1|S<1>,2|C<3>,2|C<4>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5,5a]O[5a]O[5]S[5]){1|H<1>,1|P<4>,3|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5,5a]O[5a]O[5]S[5]){1|H<1>,1|P<4>,3|C<3>}	108.2710	0.000	1	108.2710	0.000	1	108.2710	0.000	1	107.0304	1.157	5	106.4151	1.183	18	105.6066	3.017	155
679	537	537	5:SP3_SP2_SP2	B[5,5a]	O[5a]	O[5a]	2:2:3:2:	3:4:	3:4:	O[5a]-2:O[5a]-2:N[5]-3:O[5]-2:	C[5a,6a]-3:B[5,5a]-4:	C[5a,6a]-3:B[5,5a]-4:	B[5,5a](O[5a]C[5a,6a])2(N[5]N[5]C)(O[5]P[5])	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5,5a]O[5a]N[5]O[5])	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5,5a]O[5a]N[5]O[5])	B[5,5a](O[5a]C[5a,6a])2(N[5]N[5]C)(O[5]P[5]){2|C<3>,2|C<4>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5,5a]O[5a]N[5]O[5]){1|H<1>,1|N<2>,1|P<4>,3|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5,5a]O[5a]N[5]O[5]){1|H<1>,1|N<2>,1|P<4>,3|C<3>}	107.9035	0.036	2	107.9035	0.001	2	107.9035	0.001	2	107.9035	0.001	2	106.4151	1.183	18	105.6066	3.017	155
679	537	537	5:SP3_SP2_SP2	B[5,5a]	O[5a]	O[5a]	3:2:2:2:	3:4:	3:4:	O[5]-3:O[5a]-2:O[5a]-2:O[5]-2:	C[5a,6a]-3:B[5,5a]-4:	C[5a,6a]-3:B[5,5a]-4:	B[5,5a](O[5]C[5,6a]Ag)(O[5a]C[5a,6a])2(O[5]C[5,6a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5,5a]O[5a]O[5]2)	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5,5a]O[5a]O[5]2)	B[5,5a](O[5]C[5,6a]Ag)(O[5a]C[5a,6a])2(O[5]C[5,6a]){4|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5,5a]O[5a]O[5]2){1|Ag<4>,1|C<4>,4|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5,5a]O[5a]O[5]2){1|Ag<4>,1|H<1>,4|C<3>}	105.4000	0.000	1	105.4000	0.000	1	105.4373	0.956	3	105.4373	0.956	3	106.4151	1.183	18	105.6066	3.017	155
679	537	537	5:SP3_SP2_SP2	B[5,5a]	O[5a]	O[5a]	3:2:2:2:	3:4:	3:4:	O[5]-3:O[5a]-2:O[5a]-2:O[5]-2:	C[5a,6a]-3:B[5,5a]-4:	C[5a,6a]-3:B[5,5a]-4:	B[5,5a](O[5]C[5,6a]Li)(O[5a]C[5a,6a])2(O[5]C[5,6a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5,5a]O[5a]O[5]2)	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5,5a]O[5a]O[5]2)	B[5,5a](O[5]C[5,6a]Li)(O[5a]C[5a,6a])2(O[5]C[5,6a]){4|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5,5a]O[5a]O[5]2){1|Li<4>,1|H<1>,4|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5,5a]O[5a]O[5]2){1|Li<4>,1|H<1>,4|C<3>}	104.4790	0.000	1	104.4790	0.000	1	105.4373	0.956	3	105.4373	0.956	3	106.4151	1.183	18	105.6066	3.017	155
679	537	537	5:SP3_SP2_SP2	B[5,5a]	O[5a]	O[5a]	3:2:2:2:	3:4:	3:4:	O[5]-3:O[5a]-2:O[5a]-2:O[5]-2:	C[5a,6a]-3:B[5,5a]-4:	C[5a,6a]-3:B[5,5a]-4:	B[5,5a](O[5]C[5,6a]Ni)(O[5a]C[5a,6a])2(O[5]C[5,6a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5,5a]O[5a]O[5]2)	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5,5a]O[5a]O[5]2)	B[5,5a](O[5]C[5,6a]Ni)(O[5a]C[5a,6a])2(O[5]C[5,6a]){4|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5,5a]O[5a]O[5]2){1|Ni<4>,1|H<1>,4|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5,5a]O[5a]O[5]2){1|Ni<4>,1|H<1>,4|C<3>}	106.4330	0.000	1	106.4330	0.000	1	105.4373	0.956	3	105.4373	0.956	3	106.4151	1.183	18	105.6066	3.017	155
679	537	537	5:SP3_SP2_SP2	B[5,5a]	O[5a]	O[5a]	3:2:2:2:	4:3:	4:3:	N[5,6]-3:O[5a]-2:O[5a]-2:O[5]-2:	B[5,5a]-4:C[5a,6a]-3:	B[5,5a]-4:C[5a,6a]-3:	B[5,5a](N[5,6]N[5,6]C[6])(O[5a]C[5a,6a])2(O[5]P[5])	O[5a](B[5,5a]N[5,6]O[5a]O[5])(C[5a,6a]C[5a,6a]C[6a])	O[5a](B[5,5a]N[5,6]O[5a]O[5])(C[5a,6a]C[5a,6a]C[6a])	B[5,5a](N[5,6]N[5,6]C[6])(O[5a]C[5a,6a])2(O[5]P[5]){1|B<4>,1|H<1>,1|P<4>,2|C<4>,3|C<3>}	O[5a](B[5,5a]N[5,6]O[5a]O[5])(C[5a,6a]C[5a,6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,1|P<4>,2|C<3>}	O[5a](B[5,5a]N[5,6]O[5a]O[5])(C[5a,6a]C[5a,6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,1|P<4>,2|C<3>}	105.8250	0.000	1	105.8250	0.000	1	105.8250	0.000	1	105.8250	0.000	1	106.4151	1.183	18	105.6066	3.017	155
679	537	537	5:SP3_SP2_SP2	B[5,5a]	O[5a]	O[5a]	3:3:2:2:	3:4:	3:4:	N[5]-3:N[5]-3:O[5a]-2:O[5a]-2:	C[5a,6a]-3:B[5,5a]-4:	C[5a,6a]-3:B[5,5a]-4:	B[5,5a](N[5]C[6a]C[5])2(O[5a]C[5a,6a])2	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5,5a]O[5a]N[5]2)	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5,5a]O[5a]N[5]2)	B[5,5a](N[5]C[6a]C[5])2(O[5a]C[5a,6a])2{1|H<1>,2|C<4>,6|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5,5a]O[5a]N[5]2){1|C<4>,1|H<1>,5|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5,5a]O[5a]N[5]2){1|C<4>,1|H<1>,5|C<3>}	105.1895	0.411	2	105.1895	0.169	2	105.1895	0.169	2	105.1895	0.169	2	106.4151	1.183	18	105.6066	3.017	155
679	537	537	5:SP3_SP2_SP2	B[5,5a]	O[5a]	O[5a]	3:3:2:2:	4:3:	4:3:	C[5,6a]-3:N[5]-3:O[5a]-2:O[5a]-2:	B[5,5a]-4:C[5a,6a]-3:	B[5,5a]-4:C[5a,6a]-3:	B[5,5a](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5])(O[5a]C[5a,6a])2	O[5a](B[5,5a]C[5,6a]O[5a]N[5])(C[5a,6a]C[5a,6a]C[6a])	O[5a](B[5,5a]C[5,6a]O[5a]N[5])(C[5a,6a]C[5a,6a]C[6a])	B[5,5a](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5])(O[5a]C[5a,6a])2{1|H<1>,6|C<3>}	O[5a](B[5,5a]C[5,6a]O[5a]N[5])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	O[5a](B[5,5a]C[5,6a]O[5a]N[5])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	106.8790	0.088	2	106.8790	0.008	2	106.8790	0.008	2	106.8790	0.008	2	106.4151	1.183	18	105.6066	3.017	155
679	537	537	5:SP3_SP2_SP2	B[5,5a]	O[5a]	O[5a]	3:4:2:2:	4:3:	4:3:	C[5,6a]-3:N[4,5]-4:O[5a]-2:O[5a]-2:	B[5,5a]-4:C[5a,6a]-3:	B[5,5a]-4:C[5a,6a]-3:	B[5,5a](C[5,6a]C[5,6a]C[6a])(N[4,5]C[4]2C[5])(O[5a]C[5a,6a])2	O[5a](B[5,5a]C[5,6a]N[4,5]O[5a])(C[5a,6a]C[5a,6a]C[6a])	O[5a](B[5,5a]C[5,6a]N[4,5]O[5a])(C[5a,6a]C[5a,6a]C[6a])	B[5,5a](C[5,6a]C[5,6a]C[6a])(N[4,5]C[4]2C[5])(O[5a]C[5a,6a])2{1|C<4>,4|C<3>,7|H<1>}	O[5a](B[5,5a]C[5,6a]N[4,5]O[5a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,3|C<4>,4|C<3>}	O[5a](B[5,5a]C[5,6a]N[4,5]O[5a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,3|C<4>,4|C<3>}	105.9780	0.117	2	105.9780	0.014	2	105.9780	0.014	2	105.9780	0.014	2	106.4151	1.183	18	105.6066	3.017	155
679	537	537	5:SP3_SP2_SP2	B[5,5a]	O[5a]	O[5a]	4:3:2:2:	4:3:	4:3:	N[5,6]-4:C[5]-3:O[5a]-2:O[5a]-2:	B[5,5a]-4:C[5a,6a]-3:	B[5,5a]-4:C[5a,6a]-3:	B[5,5a](N[5,6]C[5,5]C[6]2)(C[5]C[5,5]N[6])(O[5a]C[5a,6a])2	O[5a](B[5,5a]N[5,6]O[5a]C[5])(C[5a,6a]C[5a,6a]C[6a])	O[5a](B[5,5a]N[5,6]O[5a]C[5])(C[5a,6a]C[5a,6a]C[6a])	B[5,5a](N[5,6]C[5,5]C[6]2)(C[5]C[5,5]N[6])(O[5a]C[5a,6a])2{1|N<4>,3|C<3>,4|C<4>,4|H<1>}	O[5a](B[5,5a]N[5,6]O[5a]C[5])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	O[5a](B[5,5a]N[5,6]O[5a]C[5])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	106.2830	0.000	1	106.2830	0.000	1	106.2830	0.000	1	106.2830	0.000	1	106.4151	1.183	18	105.6066	3.017	155
679	537	537	5:SP3_SP2_SP2	B[5a,5a]	O[5a]	O[5a]	2:2:2:2:	3:4:	3:4:	O[5a]-2:O[5a]-2:O[5a]-2:O[5a]-2:	C[5a,6a]-3:B[5a,5a]-4:	C[5a,6a]-3:B[5a,5a]-4:	B[5a,5a](O[5a]C[5a,6a])4	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,5a]O[5a]3)	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,5a]O[5a]3)	B[5a,5a](O[5a]C[5a,6a])4{4|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,5a]O[5a]3){1|C<4>,4|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,5a]O[5a]3){1|H<1>,4|C<3>}	104.6275	1.132	4	104.8011	0.259	52	105.5278	5.063	62	105.5278	5.063	62	105.5278	5.063	62	105.6066	3.017	155
679	537	537	5:SP3_SP2_SP2	B[5a,5a]	O[5a]	O[5a]	2:2:2:2:	3:4:	3:4:	O[5a]-2:O[5a]-2:O[5a]-2:O[5a]-2:	C[5a,6a]-3:B[5a,5a]-4:	C[5a,6a]-3:B[5a,5a]-4:	B[5a,5a](O[5a]C[5a,6a])4	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,5a]O[5a]3)	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,5a]O[5a]3)	B[5a,5a](O[5a]C[5a,6a])4{4|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,5a]O[5a]3){1|Cl<1>,4|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,5a]O[5a]3){1|Cl<1>,4|C<3>}	105.0925	0.086	2	104.8011	0.259	52	105.5278	5.063	62	105.5278	5.063	62	105.5278	5.063	62	105.6066	3.017	155
679	537	537	5:SP3_SP2_SP2	B[5a,5a]	O[5a]	O[5a]	2:2:2:2:	3:4:	3:4:	O[5a]-2:O[5a]-2:O[5a]-2:O[5a]-2:	C[5a,6a]-3:B[5a,5a]-4:	C[5a,6a]-3:B[5a,5a]-4:	B[5a,5a](O[5a]C[5a,6a])4	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,5a]O[5a]3)	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,5a]O[5a]3)	B[5a,5a](O[5a]C[5a,6a])4{4|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,5a]O[5a]3){1|H<1>,4|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,5a]O[5a]3){1|H<1>,4|C<3>}	104.8845	0.521	28	104.8011	0.259	52	105.5278	5.063	62	105.5278	5.063	62	105.5278	5.063	62	105.6066	3.017	155
679	537	537	5:SP3_SP2_SP2	B[5a,5a]	O[5a]	O[5a]	2:2:2:2:	3:4:	3:4:	O[5a]-2:O[5a]-2:O[5a]-2:O[5a]-2:	C[5a,6a]-3:B[5a,5a]-4:	C[5a,6a]-3:B[5a,5a]-4:	B[5a,5a](O[5a]C[5a,6a])4	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,5a]O[5a]3)	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,5a]O[5a]3)	B[5a,5a](O[5a]C[5a,6a])4{4|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,5a]O[5a]3){1|H<1>,4|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,5a]O[5a]3){5|C<3>}	104.6776	0.275	18	104.8011	0.259	52	105.5278	5.063	62	105.5278	5.063	62	105.5278	5.063	62	105.6066	3.017	155
679	537	537	5:SP3_SP2_SP2	B[5a,5a]	O[5a]	O[5a]	2:2:2:2:	3:4:	3:4:	O[5a]-2:O[5a]-2:O[5a]-2:O[5a]-2:	C[5a,6a]-3:B[5a,5a]-4:	C[5a,6a]-3:B[5a,5a]-4:	B[5a,5a](O[5a]C[5a,6a])4	O[5a](C[5a,6a]C[5a,6a]N[6a])(B[5a,5a]O[5a]3)	O[5a](C[5a,6a]C[5a,6a]N[6a])(B[5a,5a]O[5a]3)	B[5a,5a](O[5a]C[5a,6a])4{4|N<2>}	O[5a](C[5a,6a]C[5a,6a]N[6a])(B[5a,5a]O[5a]3){1|N<2>,3|C<3>}	O[5a](C[5a,6a]C[5a,6a]N[6a])(B[5a,5a]O[5a]3){1|N<2>,3|C<3>}	109.3065	3.732	10	109.3065	13.928	10	105.5278	5.063	62	105.5278	5.063	62	105.5278	5.063	62	105.6066	3.017	155
679	537	537	5:SP3_SP2_SP2	B[5a,6]	O[5a]	O[5a]	2:2:2:2:	3:4:	3:4:	O[5a]-2:O[5a]-2:O[6]-2:O[6]-2:	C[5a,6a]-3:B[5a,6]-4:	C[5a,6a]-3:B[5a,6]-4:	B[5a,6](O[5a]C[5a,6a])2(O[6]C[6])2	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]O[5a]O[6]2)	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]O[5a]O[6]2)	B[5a,6](O[5a]C[5a,6a])2(O[6]C[6])2{5|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]O[5a]O[6]2){1|H<1>,4|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]O[5a]O[6]2){1|H<1>,4|C<3>}	106.7018	0.600	6	106.2413	0.491	12	106.3288	0.550	13	106.3288	0.550	13	105.8623	0.835	36	105.6066	3.017	155
679	537	537	5:SP3_SP2_SP2	B[5a,6]	O[5a]	O[5a]	2:2:2:2:	3:4:	3:4:	O[5a]-2:O[5a]-2:O[6]-2:O[6]-2:	C[5a,6a]-3:B[5a,6]-4:	C[5a,6a]-3:B[5a,6]-4:	B[5a,6](O[5a]C[5a,6a])2(O[6]C[6])2	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]O[5a]O[6]2)	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]O[5a]O[6]2)	B[5a,6](O[5a]C[5a,6a])2(O[6]C[6])2{5|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]O[5a]O[6]2){1|H<1>,4|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]O[5a]O[6]2){5|C<3>}	105.7808	0.460	6	106.2413	0.491	12	106.3288	0.550	13	106.3288	0.550	13	105.8623	0.835	36	105.6066	3.017	155
679	537	537	5:SP3_SP2_SP2	B[5a,6]	O[5a]	O[5a]	2:2:2:2:	3:4:	3:4:	O[5a]-2:O[5a]-2:O[6]-2:O[6]-2:	C[5a,6a]-3:B[5a,6]-4:	C[5a,6a]-3:B[5a,6]-4:	B[5a,6](O[5a]C[5a,6a])2(O[6]N[6])(O[6]P[6])	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]O[5a]O[6]2)	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]O[5a]O[6]2)	B[5a,6](O[5a]C[5a,6a])2(O[6]N[6])(O[6]P[6]){2|C<4>,3|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]O[5a]O[6]2){1|H<1>,1|N<2>,1|P<4>,2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]O[5a]O[6]2){1|H<1>,1|N<2>,1|P<4>,2|C<3>}	107.3790	0.000	1	107.3790	0.000	1	106.3288	0.550	13	106.3288	0.550	13	105.8623	0.835	36	105.6066	3.017	155
679	537	537	5:SP3_SP2_SP2	B[5a,6]	O[5a]	O[5a]	2:2:4:2:	3:4:	3:4:	O[5a]-2:O[5a]-2:P[6]-4:O[6]-2:	C[5a,6a]-3:B[5a,6]-4:	C[5a,6a]-3:B[5a,6]-4:	B[5a,6](O[5a]C[5a,6a])2(P[6]O[6]CC)(O[6]P[6])	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]O[5a]O[6]P[6])	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]O[5a]O[6]P[6])	B[5a,6](O[5a]C[5a,6a])2(P[6]O[6]CC)(O[6]P[6]){1|B<4>,2|C<3>,2|C<4>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]O[5a]O[6]P[6]){1|H<1>,1|O<2>,1|P<4>,2|C<3>,2|C<4>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]O[5a]O[6]P[6]){1|H<1>,1|O<2>,1|P<4>,2|C<3>,2|C<4>}	106.2540	0.000	1	106.2540	0.000	1	106.2540	0.000	1	106.2540	0.000	1	105.8623	0.835	36	105.6066	3.017	155
679	537	537	5:SP3_SP2_SP2	B[5a,6]	O[5a]	O[5a]	3:2:2:2:	3:4:	3:4:	N[6]-3:O[5a]-2:O[5a]-2:O[6]-2:	C[5a,6a]-3:B[5a,6]-4:	C[5a,6a]-3:B[5a,6]-4:	B[5a,6](N[6]C[6a]C[6])(O[5a]C[5a,6a])2(O[6]C[6,6a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]O[5a]N[6]O[6])	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]O[5a]N[6]O[6])	B[5a,6](N[6]C[6a]C[6])(O[5a]C[5a,6a])2(O[6]C[6,6a]){1|H<1>,6|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]O[5a]N[6]O[6]){1|H<1>,5|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]O[5a]N[6]O[6]){1|H<1>,5|C<3>}	106.2310	0.000	1	106.2310	0.000	1	106.2310	0.000	1	106.2310	0.000	1	105.8623	0.835	36	105.6066	3.017	155
679	537	537	5:SP3_SP2_SP2	B[5a,6]	O[5a]	O[5a]	3:2:2:2:	4:3:	4:3:	C[6,6a]-3:O[5a]-2:O[5a]-2:O[6]-2:	B[5a,6]-4:C[5a,6a]-3:	B[5a,6]-4:C[5a,6a]-3:	B[5a,6](C[6,6a]C[6,6a]C[6a])(O[5a]C[5a,6a])2(O[6]C[6])	O[5a](B[5a,6]C[6,6a]O[5a]O[6])(C[5a,6a]C[5a,6a]C[6a])	O[5a](B[5a,6]C[6,6a]O[5a]O[6])(C[5a,6a]C[5a,6a]C[6a])	B[5a,6](C[6,6a]C[6,6a]C[6a])(O[5a]C[5a,6a])2(O[6]C[6]){1|P<4>,3|H<1>,4|C<3>}	O[5a](B[5a,6]C[6,6a]O[5a]O[6])(C[5a,6a]C[5a,6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	O[5a](B[5a,6]C[6,6a]O[5a]O[6])(C[5a,6a]C[5a,6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	104.2240	0.000	1	104.2240	0.000	1	105.3987	1.047	3	105.8483	0.657	7	105.8623	0.835	36	105.6066	3.017	155
679	537	537	5:SP3_SP2_SP2	B[5a,6]	O[5a]	O[5a]	3:2:2:2:	4:3:	4:3:	C[6,6a]-3:O[5a]-2:O[5a]-2:O[6]-2:	B[5a,6]-4:C[5a,6a]-3:	B[5a,6]-4:C[5a,6a]-3:	B[5a,6](C[6,6a]C[6,6a]C[6a])(O[5a]C[5a,6a])2(O[6]N[6])	O[5a](B[5a,6]C[6,6a]O[5a]O[6])(C[5a,6a]C[5a,6a]C[6a])	O[5a](B[5a,6]C[6,6a]O[5a]O[6])(C[5a,6a]C[5a,6a]C[6a])	B[5a,6](C[6,6a]C[6,6a]C[6a])(O[5a]C[5a,6a])2(O[6]N[6]){1|C<4>,1|H<1>,5|C<3>}	O[5a](B[5a,6]C[6,6a]O[5a]O[6])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,1|N<3>,4|C<3>}	O[5a](B[5a,6]C[6,6a]O[5a]O[6])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,1|N<3>,4|C<3>}	105.9860	0.153	2	105.9860	0.023	2	105.3987	1.047	3	105.8483	0.657	7	105.8623	0.835	36	105.6066	3.017	155
679	537	537	5:SP3_SP2_SP2	B[5a,6]	O[5a]	O[5a]	3:2:2:2:	4:3:	4:3:	N[5,6]-3:O[5a]-2:O[5a]-2:O[6]-2:	B[5a,6]-4:C[5a,6a]-3:	B[5a,6]-4:C[5a,6a]-3:	B[5a,6](N[5,6]N[5,6]P[5])(O[5a]C[5a,6a])2(O[6]P[6])	O[5a](B[5a,6]N[5,6]O[5a]O[6])(C[5a,6a]C[5a,6a]C[6a])	O[5a](B[5a,6]N[5,6]O[5a]O[6])(C[5a,6a]C[5a,6a]C[6a])	B[5a,6](N[5,6]N[5,6]P[5])(O[5a]C[5a,6a])2(O[6]P[6]){1|B<4>,1|O<2>,2|C<3>,5|C<4>}	O[5a](B[5a,6]N[5,6]O[5a]O[6])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,1|N<3>,2|C<3>,2|P<4>}	O[5a](B[5a,6]N[5,6]O[5a]O[6])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,1|N<3>,2|C<3>,2|P<4>}	105.8720	0.000	1	105.8720	0.000	1	105.8720	0.000	1	105.8483	0.657	7	105.8623	0.835	36	105.6066	3.017	155
679	537	537	5:SP3_SP2_SP2	B[5a,6]	O[5a]	O[5a]	3:2:2:2:	4:3:	4:3:	N[6,6]-3:O[5a]-2:O[5a]-2:O[6]-2:	B[5a,6]-4:C[5a,6a]-3:	B[5a,6]-4:C[5a,6a]-3:	B[5a,6](N[6,6]C[6,6]C[6])(O[5a]C[5a,6a])2(O[6]C[6])	O[5a](B[5a,6]N[6,6]O[5a]O[6])(C[5a,6a]C[5a,6a]C[6a])	O[5a](B[5a,6]N[6,6]O[5a]O[6])(C[5a,6a]C[5a,6a]C[6a])	B[5a,6](N[6,6]C[6,6]C[6])(O[5a]C[5a,6a])2(O[6]C[6]){1|H<1>,6|C<3>}	O[5a](B[5a,6]N[6,6]O[5a]O[6])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,5|C<3>}	O[5a](B[5a,6]N[6,6]O[5a]O[6])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,5|C<3>}	106.2900	0.573	3	106.2900	0.328	3	106.2900	0.328	3	105.8483	0.657	7	105.8623	0.835	36	105.6066	3.017	155
679	537	537	5:SP3_SP2_SP2	B[5a,6]	O[5a]	O[5a]	3:2:2:3:	4:3:	4:3:	C[6,6a]-3:O[5a]-2:O[5a]-2:N[6]-3:	B[5a,6]-4:C[5a,6a]-3:	B[5a,6]-4:C[5a,6a]-3:	B[5a,6](C[6,6a]C[6,6a]C[6a])(O[5a]C[5a,6a])2(N[6]C[6]H)	O[5a](B[5a,6]C[6,6a]O[5a]N[6])(C[5a,6a]C[5a,6a]C[6a])	O[5a](B[5a,6]C[6,6a]O[5a]N[6])(C[5a,6a]C[5a,6a]C[6a])	B[5a,6](C[6,6a]C[6,6a]C[6a])(O[5a]C[5a,6a])2(N[6]C[6]H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	O[5a](B[5a,6]C[6,6a]O[5a]N[6])(C[5a,6a]C[5a,6a]C[6a]){2|H<1>,5|C<3>}	O[5a](B[5a,6]C[6,6a]O[5a]N[6])(C[5a,6a]C[5a,6a]C[6a]){2|H<1>,5|C<3>}	102.7550	0.000	1	102.7550	0.000	1	102.7550	0.000	1	102.7550	0.000	1	105.8623	0.835	36	105.6066	3.017	155
679	537	537	5:SP3_SP2_SP2	B[5a,6]	O[5a]	O[5a]	3:3:2:2:	3:4:	3:4:	N[5,6]-3:N[5,6]-3:O[5a]-2:O[5a]-2:	C[5a,6a]-3:B[5a,6]-4:	C[5a,6a]-3:B[5a,6]-4:	B[5a,6](N[5,6]C[5,6]C[5])2(O[5a]C[5a,6a])2	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]N[5,6]2O[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]N[5,6]2O[5a])	B[5a,6](N[5,6]C[5,6]C[5])2(O[5a]C[5a,6a])2{2|O<2>,3|C<3>,6|C<4>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]N[5,6]2O[5a]){1|H<1>,2|C<4>,4|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]N[5,6]2O[5a]){1|H<1>,2|C<4>,4|C<3>}	104.5590	0.000	1	104.5590	0.000	1	104.5590	0.000	1	105.5838	0.407	13	105.8623	0.835	36	105.6066	3.017	155
679	537	537	5:SP3_SP2_SP2	B[5a,6]	O[5a]	O[5a]	3:3:2:2:	3:4:	3:4:	N[5a,6]-3:N[5a,6]-3:O[5a]-2:O[5a]-2:	C[5a,6a]-3:B[5a,6]-4:	C[5a,6a]-3:B[5a,6]-4:	B[5a,6](N[5a,6]C[5a,6]C[5a])2(O[5a]C[5a,6a])2	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]N[5a,6]2O[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]N[5a,6]2O[5a])	B[5a,6](N[5a,6]C[5a,6]C[5a])2(O[5a]C[5a,6a])2{2|C<4>,7|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]N[5a,6]2O[5a]){1|H<1>,6|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]N[5a,6]2O[5a]){1|H<1>,6|C<3>}	105.0667	0.480	4	105.6692	0.341	12	105.6692	0.341	12	105.5838	0.407	13	105.8623	0.835	36	105.6066	3.017	155
679	537	537	5:SP3_SP2_SP2	B[5a,6]	O[5a]	O[5a]	3:3:2:2:	3:4:	3:4:	N[5a,6]-3:N[5a,6]-3:O[5a]-2:O[5a]-2:	C[5a,6a]-3:B[5a,6]-4:	C[5a,6a]-3:B[5a,6]-4:	B[5a,6](N[5a,6]C[5a,6]C[5a])2(O[5a]C[5a,6a])2	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]N[5a,6]2O[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]N[5a,6]2O[5a])	B[5a,6](N[5a,6]C[5a,6]C[5a])2(O[5a]C[5a,6a])2{2|H<1>,7|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]N[5a,6]2O[5a]){1|H<1>,6|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]N[5a,6]2O[5a]){1|H<1>,6|C<3>}	105.6520	0.617	2	105.6692	0.341	12	105.6692	0.341	12	105.5838	0.407	13	105.8623	0.835	36	105.6066	3.017	155
679	537	537	5:SP3_SP2_SP2	B[5a,6]	O[5a]	O[5a]	3:3:2:2:	3:4:	3:4:	N[5a,6]-3:N[5a,6]-3:O[5a]-2:O[5a]-2:	C[5a,6a]-3:B[5a,6]-4:	C[5a,6a]-3:B[5a,6]-4:	B[5a,6](N[5a,6]C[5a,6]C[5a])2(O[5a]C[5a,6a])2	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]N[5a,6]2O[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]N[5a,6]2O[5a])	B[5a,6](N[5a,6]C[5a,6]C[5a])2(O[5a]C[5a,6a])2{9|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]N[5a,6]2O[5a]){1|H<1>,6|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]N[5a,6]2O[5a]){7|C<3>}	106.0767	0.213	6	105.6692	0.341	12	105.6692	0.341	12	105.5838	0.407	13	105.8623	0.835	36	105.6066	3.017	155
679	537	537	5:SP3_SP2_SP2	B[5a]	O[5a]	O[5a]	2:2:1:1:	3:4:	3:4:	O[5a]-2:O[5a]-2:F-1:F-1:	C[5a,6]-3:B[5a]-4:	C[5a,6]-3:B[5a]-4:	B[5a](O[5a]C[5a,6])2(F)2	O[5a](C[5a,6]C[5a,6]C[6])(B[5a]O[5a]FF)	O[5a](C[5a,6]C[5a,6]C[6,6a])(B[5a]O[5a]FF)	B[5a](O[5a]C[5a,6])2(F)2{2|C<3>}	O[5a](C[5a,6]C[5a,6]C[6])(B[5a]O[5a]FF){1|O<2>,2|C<3>}	O[5a](C[5a,6]C[5a,6]C[6,6a])(B[5a]O[5a]FF){3|C<3>}	103.2660	0.000	1	103.2660	0.000	1	103.2660	0.000	1	103.2660	0.000	1	105.1227	2.180	39	105.6066	3.017	155
679	537	537	5:SP3_SP2_SP2	B[5a]	O[5a]	O[5a]	2:2:2:2:	3:4:	3:4:	O[5a]-2:O[5a]-2:O-2:O-2:	C[5a,6a]-3:B[5a]-4:	C[5a,6a]-3:B[5a]-4:	B[5a](O[5a]C[5a,6a])2(OP)2	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]OO)	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]OO)	B[5a](O[5a]C[5a,6a])2(OP)2{2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]OO){1|H<1>,2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]OO){1|H<1>,2|C<3>}	107.0000	0.000	1	107.0000	0.000	1	107.0000	0.000	1	107.0000	0.000	1	105.1227	2.180	39	105.6066	3.017	155
679	537	537	5:SP3_SP2_SP2	B[5a]	O[5a]	O[5a]	2:2:3:2:	3:4:	3:4:	O[5a]-2:O[5a]-2:C[6]-3:O-2:	C[5a,6a]-3:B[5a]-4:	C[5a,6a]-3:B[5a]-4:	B[5a](O[5a]C[5a,6a])2(C[6]B[6]N[6])(OC[6a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]C[6]O)	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]C[6]O)	B[5a](O[5a]C[5a,6a])2(C[6]B[6]N[6])(OC[6a]){1|C<4>,1|N<3>,1|O<2>,3|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]C[6]O){1|B<3>,1|H<1>,1|N<3>,2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]C[6]O){1|B<3>,1|H<1>,1|N<3>,2|C<3>}	106.2460	0.000	1	106.2460	0.000	1	106.2460	0.000	1	103.5939	1.510	7	105.1227	2.180	39	105.6066	3.017	155
679	537	537	5:SP3_SP2_SP2	B[5a]	O[5a]	O[5a]	2:2:3:2:	3:4:	3:4:	O[5a]-2:O[5a]-2:C[6a]-3:O-2:	C[5a,6a]-3:B[5a]-4:	C[5a,6a]-3:B[5a]-4:	B[5a](O[5a]C[5a,6a])2(C[6a]C[6a]2)(OC)	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]O[5a]O)	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]O[5a]O)	B[5a](O[5a]C[5a,6a])2(C[6a]C[6a]2)(OC){1|C<4>,1|H<1>,4|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]O[5a]O){1|H<1>,4|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]O[5a]O){1|H<1>,4|C<3>}	103.2974	0.235	5	103.2974	0.055	5	103.1518	0.171	6	103.5939	1.510	7	105.1227	2.180	39	105.6066	3.017	155
679	537	537	5:SP3_SP2_SP2	B[5a]	O[5a]	O[5a]	2:2:3:2:	3:4:	3:4:	O[5a]-2:O[5a]-2:C[6a]-3:O-2:	C[5a,6a]-3:B[5a]-4:	C[5a,6a]-3:B[5a]-4:	B[5a](O[5a]C[5a,6a])2(C[6a]C[6a]2)(OH)	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]O[5a]O)	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]O[5a]O)	B[5a](O[5a]C[5a,6a])2(C[6a]C[6a]2)(OH){2|H<1>,4|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]O[5a]O){1|H<1>,4|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]O[5a]O){1|H<1>,4|C<3>}	102.4240	0.000	1	102.4240	0.000	1	103.1518	0.171	6	103.5939	1.510	7	105.1227	2.180	39	105.6066	3.017	155
679	537	537	5:SP3_SP2_SP2	B[5a]	O[5a]	O[5a]	2:2:3:3:	3:4:	3:4:	O[5a]-2:O[5a]-2:B[5a]-3:C[5]-3:	C[5a,6a]-3:B[5a]-4:	C[5a,6a]-3:B[5a]-4:	B[5a](O[5a]C[5a,6a])2(B[5a]O[5a]2)(C[5]N[5]2)	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]B[5a]O[5a]C[5])	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]B[5a]O[5a]C[5])	B[5a](O[5a]C[5a,6a])2(B[5a]O[5a]2)(C[5]N[5]2){2|C<4>,6|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]B[5a]O[5a]C[5]){1|H<1>,2|C<3>,2|N<3>,2|O<2>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]B[5a]O[5a]C[5]){1|H<1>,2|C<3>,2|N<3>,2|O<2>}	104.8320	0.283	2	104.8320	0.080	2	104.8320	0.080	2	104.9767	0.853	17	105.1227	2.180	39	105.6066	3.017	155
679	537	537	5:SP3_SP2_SP2	B[5a]	O[5a]	O[5a]	2:2:3:3:	3:4:	3:4:	O[5a]-2:O[5a]-2:C[6a]-3:C[6a]-3:	C[5a,6a]-3:B[5a]-4:	C[5a,6a]-3:B[5a]-4:	B[5a](O[5a]C[5a,6a])2(C[6a]C[6a]2)2	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(B[5a]C[6a]2O[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(B[5a]C[6a]2O[5a])	B[5a](O[5a]C[5a,6a])2(C[6a]C[6a]2)2{4|F<1>,6|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(B[5a]C[6a]2O[5a]){7|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(B[5a]C[6a]2O[5a]){7|C<3>}	104.1453	0.720	7	104.1453	0.519	7	104.1453	0.519	7	104.9767	0.853	17	105.1227	2.180	39	105.6066	3.017	155
679	537	537	5:SP3_SP2_SP2	B[5a]	O[5a]	O[5a]	2:2:3:3:	3:4:	3:4:	O[5a]-2:O[5a]-2:C[6a]-3:N[5]-3:	C[5a,6a]-3:B[5a]-4:	C[5a,6a]-3:B[5a]-4:	B[5a](O[5a]C[5a,6a])2(C[6a]C[6a]2)(N[5]C[5]2)	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]O[5a]N[5])	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]O[5a]N[5])	B[5a](O[5a]C[5a,6a])2(C[6a]C[6a]2)(N[5]C[5]2){1|N<3>,4|H<1>,5|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]O[5a]N[5]){1|H<1>,6|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]O[5a]N[5]){1|H<1>,6|C<3>}	105.6678	0.439	5	105.6678	0.193	5	105.6678	0.193	5	104.9767	0.853	17	105.1227	2.180	39	105.6066	3.017	155
679	537	537	5:SP3_SP2_SP2	B[5a]	O[5a]	O[5a]	2:2:3:3:	3:4:	3:4:	O[5a]-2:O[5a]-2:C[6a]-3:N[6]-3:	C[5a,6a]-3:B[5a]-4:	C[5a,6a]-3:B[5a]-4:	B[5a](O[5a]C[5a,6a])2(C[6a]C[6a]2)(N[6]C[6]2)	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]O[5a]N[6])	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]O[5a]N[6])	B[5a](O[5a]C[5a,6a])2(C[6a]C[6a]2)(N[6]C[6]2){4|H<1>,6|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]O[5a]N[6]){1|H<1>,6|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]O[5a]N[6]){1|H<1>,6|C<3>}	105.8613	0.190	3	105.8613	0.036	3	105.8613	0.036	3	104.9767	0.853	17	105.1227	2.180	39	105.6066	3.017	155
679	537	537	5:SP3_SP2_SP2	B[5a]	O[5a]	O[5a]	2:2:3:4:	3:4:	3:4:	O[5a]-2:O[5a]-2:N[6]-3:C-4:	C[5a,6a]-3:B[5a]-4:	C[5a,6a]-3:B[5a]-4:	B[5a](O[5a]C[5a,6a])2(N[6]C[6]2)(CH3)	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]N[6]C)	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]N[6]C)	B[5a](O[5a]C[5a,6a])2(N[6]C[6]2)(CH3){2|H<1>,4|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]N[6]C){1|H<1>,4|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]N[6]C){1|H<1>,4|C<3>}	105.7135	0.240	2	105.7135	0.057	2	105.7135	0.057	2	105.7135	0.057	2	105.1227	2.180	39	105.6066	3.017	155
679	537	537	5:SP3_SP2_SP2	B[5a]	O[5a]	O[5a]	2:2:4:1:	3:4:	3:4:	O[5a]-2:O[5a]-2:N-4:Cl-1:	C[5a,6a]-3:B[5a]-4:	C[5a,6a]-3:B[5a]-4:	B[5a](O[5a]C[5a,6a])2(NC3)(Cl)	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]ClN)	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]ClN)	B[5a](O[5a]C[5a,6a])2(NC3)(Cl){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]ClN){1|H<1>,2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]ClN){1|H<1>,2|C<3>}	107.3190	0.000	1	107.3190	0.000	1	107.3190	0.000	1	107.0418	1.039	6	105.1227	2.180	39	105.6066	3.017	155
679	537	537	5:SP3_SP2_SP2	B[5a]	O[5a]	O[5a]	2:2:4:1:	3:4:	3:4:	O[5a]-2:O[5a]-2:P-4:Cl-1:	C[5a,6a]-3:B[5a]-4:	C[5a,6a]-3:B[5a]-4:	B[5a](O[5a]C[5a,6a])2(PC3)(Cl)	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]ClP)	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]ClP)	B[5a](O[5a]C[5a,6a])2(PC3)(Cl){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]ClP){1|H<1>,2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]ClP){1|H<1>,2|C<3>}	107.4725	0.355	4	107.4725	0.126	4	106.9864	1.276	5	107.0418	1.039	6	105.1227	2.180	39	105.6066	3.017	155
679	537	537	5:SP3_SP2_SP2	B[5a]	O[5a]	O[5a]	2:2:4:1:	3:4:	3:4:	O[5a]-2:O[5a]-2:P-4:Cl-1:	C[5a,6a]-3:B[5a]-4:	C[5a,6a]-3:B[5a]-4:	B[5a](O[5a]C[5a,6a])2(PC[6]3)(Cl)	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]ClP)	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]ClP)	B[5a](O[5a]C[5a,6a])2(PC[6]3)(Cl){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]ClP){1|H<1>,2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]ClP){1|H<1>,2|C<3>}	105.0420	0.000	1	105.0420	0.000	1	106.9864	1.276	5	107.0418	1.039	6	105.1227	2.180	39	105.6066	3.017	155
679	537	537	5:SP3_SP2_SP2	B[5a]	O[5a]	O[5a]	2:2:4:3:	3:4:	3:4:	O[5a]-2:O[5a]-2:C-4:N[6]-3:	C[5a,6a]-3:B[5a]-4:	C[5a,6a]-3:B[5a]-4:	B[5a](O[5a]C[5a,6a])2(CC[6a]SiH)(N[6]C[6]2)	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]N[6]C)	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]N[6]C)	B[5a](O[5a]C[5a,6a])2(CC[6a]SiH)(N[6]C[6]2){2|H<1>,4|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]N[6]C){1|H<1>,4|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]N[6]C){1|H<1>,4|C<3>}	106.2570	0.222	3	106.2570	0.049	3	106.2570	0.049	3	106.2570	0.049	3	105.1227	2.180	39	105.6066	3.017	155
679	537	537	5:SP3_SP2_SP2	B[5a]	O[5a]	O[5a]	3:2:2:3:	4:3:	4:3:	N[6]-3:O[5a]-2:O[5a]-2:C[6a]-3:	B[5a]-4:C[5a,6]-3:	B[5a]-4:C[5a,6]-3:	B[5a](N[6]C[5a,6]C[6])(O[5a]C[5a,6])2(C[6a]C[6a]2)	O[5a](B[5a]C[6a]O[5a]N[6])(C[5a,6]C[5a,6]C[6])	O[5a](B[5a]C[6a]O[5a]N[6])(C[5a,6]C[5a,6]N[6])	B[5a](N[6]C[5a,6]C[6])(O[5a]C[5a,6])2(C[6a]C[6a]2){1|N<3>,1|O<2>,3|H<1>,5|C<3>}	O[5a](B[5a]C[6a]O[5a]N[6])(C[5a,6]C[5a,6]C[6]){1|H<1>,1|N<3>,5|C<3>}	O[5a](B[5a]C[6a]O[5a]N[6])(C[5a,6]C[5a,6]N[6]){1|B<4>,6|C<3>}	103.8980	0.000	1	103.8980	0.000	1	103.8980	0.000	1	103.8980	0.000	1	105.1227	2.180	39	105.6066	3.017	155
679	537	537	5:SP3_SP2_SP2	B[5a]	O[5a]	O[5a]	4:3:2:2:	3:4:	3:4:	B[5a]-4:N[6]-3:O[5a]-2:O[5a]-2:	C[5a,6a]-3:B[5a]-4:	C[5a,6a]-3:B[5a]-4:	B[5a](B[5a]O[5a]2N[6])(N[6]C[5,6]C[6])(O[5a]C[5a,6a])2	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]B[5a]O[5a]N[6])	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]B[5a]O[5a]N[6])	B[5a](B[5a]O[5a]2N[6])(N[6]C[5,6]C[6])(O[5a]C[5a,6a])2{1|N<3>,2|H<1>,3|C<4>,5|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]B[5a]O[5a]N[6]){1|C<4>,1|H<1>,1|N<3>,2|O<2>,3|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]B[5a]O[5a]N[6]){1|C<4>,1|H<1>,1|N<3>,2|O<2>,3|C<3>}	103.4130	0.000	1	103.4130	0.000	1	103.4130	0.000	1	103.4130	0.000	1	105.1227	2.180	39	105.6066	3.017	155
679	537	542	0:SP3_SP2_SP2	B[5,5a]	O[5a]	N[5]	2:2:3:2:	3:4:	4:2:3:	O[5a]-2:O[5a]-2:N[5]-3:O[5]-2:	C[5a,6a]-3:B[5,5a]-4:	B[5,5a]-4:N[5]-2:C-3:	B[5,5a](O[5a]C[5a,6a])2(N[5]N[5]C)(O[5]P[5])	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5,5a]O[5a]N[5]O[5])	N[5](B[5,5a]O[5a]2O[5])(N[5]P[5])(CC[6a]2)	B[5,5a](O[5a]C[5a,6a])2(N[5]N[5]C)(O[5]P[5]){2|C<3>,2|C<4>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5,5a]O[5a]N[5]O[5]){1|H<1>,1|N<2>,1|P<4>,3|C<3>}	N[5](B[5,5a]O[5a]2O[5])(N[5]P[5])(CC[6a]2){2|C<3>,2|C<4>}	111.9857	2.071	4	111.9857	4.287	4	111.9857	4.287	4	111.9857	4.287	4	112.0321	9.836	16	110.2948	12.911	34
679	537	542	0:SP3_SP2_SP2	B[5,5a]	O[5a]	N[5]	3:3:2:2:	3:4:	4:3:3:	N[5]-3:N[5]-3:O[5a]-2:O[5a]-2:	C[5a,6a]-3:B[5,5a]-4:	B[5,5a]-4:C[6a]-3:C[5]-3:	B[5,5a](N[5]C[6a]C[5])2(O[5a]C[5a,6a])2	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5,5a]O[5a]N[5]2)	N[5](B[5,5a]O[5a]2N[5])(C[6a]C[6a]2)(C[5]C[5]C)	B[5,5a](N[5]C[6a]C[5])2(O[5a]C[5a,6a])2{1|H<1>,2|C<4>,6|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5,5a]O[5a]N[5]2){1|C<4>,1|H<1>,5|C<3>}	N[5](B[5,5a]O[5a]2N[5])(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,3|H<1>,5|C<3>}	110.3697	0.994	4	110.3697	0.988	4	110.3697	0.988	4	110.3697	0.988	4	112.0321	9.836	16	110.2948	12.911	34
679	537	542	0:SP3_SP2_SP2	B[5,5a]	O[5a]	N[5]	3:3:2:2:	3:4:	4:3:4:	N[5]-3:N[5]-3:O[5a]-2:O[5a]-2:	C[5a,6a]-3:B[5,5a]-4:	B[5,5a]-4:C[6a]-3:C[5]-4:	B[5,5a](N[5]C[6a]C[5])2(O[5a]C[5a,6a])2	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5,5a]O[5a]N[5]2)	N[5](B[5,5a]O[5a]2N[5])(C[6a]C[6a]2)(C[5]C[5]CH)	B[5,5a](N[5]C[6a]C[5])2(O[5a]C[5a,6a])2{1|H<1>,2|C<4>,6|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5,5a]O[5a]N[5]2){1|C<4>,1|H<1>,5|C<3>}	N[5](B[5,5a]O[5a]2N[5])(C[6a]C[6a]2)(C[5]C[5]CH){1|C<4>,2|H<1>,5|C<3>}	116.5378	1.149	4	116.5378	1.321	4	116.5378	1.321	4	116.5378	1.321	4	112.0321	9.836	16	110.2948	12.911	34
679	537	542	0:SP3_SP2_SP2	B[5,5a]	O[5a]	N[5]	3:3:2:2:	4:3:	4:3:2:	C[5,6a]-3:N[5]-3:O[5a]-2:O[5a]-2:	B[5,5a]-4:C[5a,6a]-3:	B[5,5a]-4:C[6a]-3:N[5]-2:	B[5,5a](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5])(O[5a]C[5a,6a])2	O[5a](B[5,5a]C[5,6a]O[5a]N[5])(C[5a,6a]C[5a,6a]C[6a])	N[5](B[5,5a]C[5,6a]O[5a]2)(C[6a]C[6a]2)(N[5]C[5,6a])	B[5,5a](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5])(O[5a]C[5a,6a])2{1|H<1>,6|C<3>}	O[5a](B[5,5a]C[5,6a]O[5a]N[5])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	N[5](B[5,5a]C[5,6a]O[5a]2)(C[6a]C[6a]2)(N[5]C[5,6a]){2|H<1>,6|C<3>}	109.2350	1.182	4	109.2350	1.397	4	109.2350	1.397	4	109.2350	1.397	4	112.0321	9.836	16	110.2948	12.911	34
679	537	542	0:SP3_SP2_SP2	B[5a,6]	O[5a]	N[5,6]	3:2:2:2:	4:3:	4:3:4:	N[5,6]-3:O[5a]-2:O[5a]-2:O[6]-2:	B[5a,6]-4:C[5a,6a]-3:	B[5a,6]-4:N[5,6]-3:P[5]-4:	B[5a,6](N[5,6]N[5,6]P[5])(O[5a]C[5a,6a])2(O[6]P[6])	O[5a](B[5a,6]N[5,6]O[5a]O[6])(C[5a,6a]C[5a,6a]C[6a])	N[5,6](B[5a,6]O[5a]2O[6])(N[5,6]B[5,5a]C[6])(P[5]O[5]CC)	B[5a,6](N[5,6]N[5,6]P[5])(O[5a]C[5a,6a])2(O[6]P[6]){1|B<4>,1|O<2>,2|C<3>,5|C<4>}	O[5a](B[5a,6]N[5,6]O[5a]O[6])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,1|N<3>,2|C<3>,2|P<4>}	N[5,6](B[5a,6]O[5a]2O[6])(N[5,6]B[5,5a]C[6])(P[5]O[5]CC){1|H<1>,1|P<4>,2|O<2>,3|C<3>}	114.4380	3.196	2	114.4380	10.215	2	114.4380	10.215	2	114.4380	10.215	2	112.5833	4.149	6	110.2948	12.911	34
679	537	542	0:SP3_SP2_SP2	B[5a,6]	O[5a]	N[5,6]	3:3:2:2:	3:4:	4:3:4:	N[5,6]-3:N[5,6]-3:O[5a]-2:O[5a]-2:	C[5a,6a]-3:B[5a,6]-4:	B[5a,6]-4:C[5,6]-3:C[5]-4:	B[5a,6](N[5,6]C[5,6]C[5])2(O[5a]C[5a,6a])2	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]N[5,6]2O[5a])	N[5,6](B[5a,6]N[5,6]O[5a]2)(C[5,6]C[6]O[5])(C[5]C[5]CC)	B[5a,6](N[5,6]C[5,6]C[5])2(O[5a]C[5a,6a])2{2|O<2>,3|C<3>,6|C<4>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]N[5,6]2O[5a]){1|H<1>,2|C<4>,4|C<3>}	N[5,6](B[5a,6]N[5,6]O[5a]2)(C[5,6]C[6]O[5])(C[5]C[5]CC){1|C<4>,3|C<3>,3|H<1>}	111.6560	0.265	4	111.6560	0.070	4	111.6560	0.070	4	111.6560	0.070	4	112.5833	4.149	6	110.2948	12.911	34
679	537	542	0:SP3_SP2_SP2	B[5a]	O[5a]	N[5]	2:2:3:3:	3:4:	4:3:3:	O[5a]-2:O[5a]-2:C[6a]-3:N[5]-3:	C[5a,6a]-3:B[5a]-4:	B[5a]-4:C[5]-3:C[5]-3:	B[5a](O[5a]C[5a,6a])2(C[6a]C[6a]2)(N[5]C[5]2)	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]O[5a]N[5])	N[5](B[5a]C[6a]O[5a]2)(C[5]C[5]H)(C[5]N[5]H)	B[5a](O[5a]C[5a,6a])2(C[6a]C[6a]2)(N[5]C[5]2){1|N<3>,4|H<1>,5|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]O[5a]N[5]){1|H<1>,6|C<3>}	N[5](B[5a]C[6a]O[5a]2)(C[5]C[5]H)(C[5]N[5]H){1|C<4>,1|H<1>,4|C<3>}	106.8342	1.768	12	106.8342	3.124	12	106.8342	3.124	12	106.8342	3.124	12	106.8342	3.124	12	110.2948	12.911	34
679	537	542	0:SP3_SP2_SP3	B[5,5a]	O[5a]	N[5,6]	3:2:2:2:	4:3:	4:3:4:	N[5,6]-3:O[5a]-2:O[5a]-2:O[5]-2:	B[5,5a]-4:C[5a,6a]-3:	B[5,5a]-4:N[5,6]-3:C[6]-4:	B[5,5a](N[5,6]N[5,6]C[6])(O[5a]C[5a,6a])2(O[5]P[5])	O[5a](B[5,5a]N[5,6]O[5a]O[5])(C[5a,6a]C[5a,6a]C[6a])	N[5,6](B[5,5a]O[5a]2O[5])(N[5,6]B[5a,6]P[5])(C[6]P[6]CH)	B[5,5a](N[5,6]N[5,6]C[6])(O[5a]C[5a,6a])2(O[5]P[5]){1|B<4>,1|H<1>,1|P<4>,2|C<4>,3|C<3>}	O[5a](B[5,5a]N[5,6]O[5a]O[5])(C[5a,6a]C[5a,6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,1|P<4>,2|C<3>}	N[5,6](B[5,5a]O[5a]2O[5])(N[5,6]B[5a,6]P[5])(C[6]P[6]CH){2|C<3>,3|O<2>,4|C<4>}	113.4895	2.606	2	113.4895	6.790	2	113.4895	6.790	2	113.4895	6.790	2	113.4895	6.790	2	113.4895	6.790	2
679	537	622	0:SP3_SP2_SP2	B[5a,6]	O[5a]	O[6]	2:2:2:2:	3:4:	4:2:	O[5a]-2:O[5a]-2:O[6]-2:O[6]-2:	C[5a,6a]-3:B[5a,6]-4:	B[5a,6]-4:N[6]-2:	B[5a,6](O[5a]C[5a,6a])2(O[6]N[6])(O[6]P[6])	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]O[5a]O[6]2)	O[6](B[5a,6]O[5a]2O[6])(N[6]C[6])	B[5a,6](O[5a]C[5a,6a])2(O[6]N[6])(O[6]P[6]){2|C<4>,3|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]O[5a]O[6]2){1|H<1>,1|N<2>,1|P<4>,2|C<3>}	O[6](B[5a,6]O[5a]2O[6])(N[6]C[6]){1|P<4>,3|C<3>}	110.6585	5.017	2	110.6585	25.170	2	110.6585	25.170	2	110.6585	25.170	2	110.3541	2.335	60	110.3541	2.335	60
679	537	622	0:SP3_SP2_SP2	B[5a,6]	O[5a]	O[6]	2:2:2:2:	3:4:	4:3:	O[5a]-2:O[5a]-2:O[6]-2:O[6]-2:	C[5a,6a]-3:B[5a,6]-4:	B[5a,6]-4:C[6]-3:	B[5a,6](O[5a]C[5a,6a])2(O[6]C[6])2	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]O[5a]O[6]2)	O[6](B[5a,6]O[5a]2O[6])(C[6]C[5a]C[6])	B[5a,6](O[5a]C[5a,6a])2(O[6]C[6])2{5|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]O[5a]O[6]2){1|H<1>,4|C<3>}	O[6](B[5a,6]O[5a]2O[6])(C[6]C[5a]C[6]){1|H<1>,1|N<3>,4|C<3>}	109.8676	1.116	31	109.8630	1.025	42	109.8739	0.999	46	109.8739	0.999	46	110.3541	2.335	60	110.3541	2.335	60
679	537	622	0:SP3_SP2_SP2	B[5a,6]	O[5a]	O[6]	2:2:2:2:	3:4:	4:3:	O[5a]-2:O[5a]-2:O[6]-2:O[6]-2:	C[5a,6a]-3:B[5a,6]-4:	B[5a,6]-4:C[6]-3:	B[5a,6](O[5a]C[5a,6a])2(O[6]C[6])2	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]O[5a]O[6]2)	O[6](B[5a,6]O[5a]2O[6])(C[6]C[5a]C[6])	B[5a,6](O[5a]C[5a,6a])2(O[6]C[6])2{5|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]O[5a]O[6]2){5|C<3>}	O[6](B[5a,6]O[5a]2O[6])(C[6]C[5a]C[6]){1|H<1>,1|N<3>,4|C<3>}	109.8503	0.682	11	109.8630	1.025	42	109.8739	0.999	46	109.8739	0.999	46	110.3541	2.335	60	110.3541	2.335	60
679	537	622	0:SP3_SP2_SP2	B[5a,6]	O[5a]	O[6]	2:2:2:2:	3:4:	4:3:	O[5a]-2:O[5a]-2:O[6]-2:O[6]-2:	C[5a,6a]-3:B[5a,6]-4:	B[5a,6]-4:C[6]-3:	B[5a,6](O[5a]C[5a,6a])2(O[6]C[6])2	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]O[5a]O[6]2)	O[6](B[5a,6]O[5a]2O[6])(C[6]C[6a]C[6])	B[5a,6](O[5a]C[5a,6a])2(O[6]C[6])2{5|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]O[5a]O[6]2){1|H<1>,4|C<3>}	O[6](B[5a,6]O[5a]2O[6])(C[6]C[6a]C[6]){1|H<1>,5|C<3>}	109.9880	0.978	4	109.9880	0.956	4	109.8739	0.999	46	109.8739	0.999	46	110.3541	2.335	60	110.3541	2.335	60
679	537	622	0:SP3_SP2_SP2	B[5a,6]	O[5a]	O[6]	3:2:2:1:	3:4:	4:3:	N[5a,6]-3:O[5a]-2:O[6]-2:F-1:	C[5a,6a]-3:B[5a,6]-4:	B[5a,6]-4:C[6,6a]-3:	B[5a,6](N[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(O[6]C[6,6a])(F)	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]N[5a,6]O[6]F)	O[6](B[5a,6]N[5a,6]O[5a]F)(C[6,6a]C[6,6a]C[6a])	B[5a,6](N[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(O[6]C[6,6a])(F){1|H<1>,4|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]N[5a,6]O[6]F){1|H<1>,4|C<3>}	O[6](B[5a,6]N[5a,6]O[5a]F)(C[6,6a]C[6,6a]C[6a]){1|H<1>,5|C<3>}	114.4045	0.418	2	114.4045	0.175	2	114.4045	0.175	2	114.4045	0.175	2	110.3541	2.335	60	110.3541	2.335	60
679	537	622	0:SP3_SP2_SP2	B[5a,6]	O[5a]	O[6]	3:2:2:2:	3:4:	3:4:	N[6]-3:O[5a]-2:O[5a]-2:O[6]-2:	C[5a,6a]-3:B[5a,6]-4:	C[6,6a]-3:B[5a,6]-4:	B[5a,6](N[6]C[6a]C[6])(O[5a]C[5a,6a])2(O[6]C[6,6a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]O[5a]N[6]O[6])	O[6](C[6,6a]C[6,6a]C[6a])(B[5a,6]O[5a]2N[6])	B[5a,6](N[6]C[6a]C[6])(O[5a]C[5a,6a])2(O[6]C[6,6a]){1|H<1>,6|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]O[5a]N[6]O[6]){1|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(B[5a,6]O[5a]2N[6]){1|H<1>,6|C<3>}	112.3665	0.276	2	112.3665	0.076	2	112.3665	0.076	2	112.3665	0.076	2	110.3541	2.335	60	110.3541	2.335	60
679	537	622	0:SP3_SP2_SP2	B[5a,6]	O[5a]	O[6]	3:2:2:2:	4:3:	4:3:	N[6,6]-3:O[5a]-2:O[5a]-2:O[6]-2:	B[5a,6]-4:C[5a,6a]-3:	B[5a,6]-4:C[6]-3:	B[5a,6](N[6,6]C[6,6]C[6])(O[5a]C[5a,6a])2(O[6]C[6])	O[5a](B[5a,6]N[6,6]O[5a]O[6])(C[5a,6a]C[5a,6a]C[6a])	O[6](B[5a,6]N[6,6]O[5a]2)(C[6]C[6a]C[6])	B[5a,6](N[6,6]C[6,6]C[6])(O[5a]C[5a,6a])2(O[6]C[6]){1|H<1>,6|C<3>}	O[5a](B[5a,6]N[6,6]O[5a]O[6])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,5|C<3>}	O[6](B[5a,6]N[6,6]O[5a]2)(C[6]C[6a]C[6]){7|C<3>}	111.1852	0.625	6	111.1852	0.391	6	111.1852	0.391	6	111.1852	0.391	6	110.3541	2.335	60	110.3541	2.335	60
679	537	622	0:SP3_SP2_SP2	B[5a,6]	O[5a]	O[6]	3:2:3:2:	4:3:	4:3:	N[5a,6]-3:O[5a]-2:C[6a]-3:O[6]-2:	B[5a,6]-4:C[5a,6a]-3:	B[5a,6]-4:C[6,6a]-3:	B[5a,6](N[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)(O[6]C[6,6a])	O[5a](B[5a,6]N[5a,6]C[6a]O[6])(C[5a,6a]C[5a,6a]C[6a])	O[6](B[5a,6]N[5a,6]C[6a]O[5a])(C[6,6a]C[6,6a]C[6a])	B[5a,6](N[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)(O[6]C[6,6a]){3|H<1>,6|C<3>}	O[5a](B[5a,6]N[5a,6]C[6a]O[6])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,6|C<3>}	O[6](B[5a,6]N[5a,6]C[6a]O[5a])(C[6,6a]C[6,6a]C[6a]){1|H<1>,7|C<3>}	112.4130	0.000	1	112.5395	0.032	2	112.5395	0.032	2	112.5395	0.032	2	110.3541	2.335	60	110.3541	2.335	60
679	537	622	0:SP3_SP2_SP2	B[5a,6]	O[5a]	O[6]	3:2:3:2:	4:3:	4:3:	N[5a,6]-3:O[5a]-2:C[6a]-3:O[6]-2:	B[5a,6]-4:C[5a,6a]-3:	B[5a,6]-4:C[6,6a]-3:	B[5a,6](N[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)(O[6]C[6,6a])	O[5a](B[5a,6]N[5a,6]C[6a]O[6])(C[5a,6a]C[5a,6a]C[6a])	O[6](B[5a,6]N[5a,6]C[6a]O[5a])(C[6,6a]C[6,6a]C[6a])	B[5a,6](N[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)(O[6]C[6,6a]){3|H<1>,6|C<3>}	O[5a](B[5a,6]N[5a,6]C[6a]O[6])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,6|C<3>}	O[6](B[5a,6]N[5a,6]C[6a]O[5a])(C[6,6a]C[6,6a]C[6a]){1|O<2>,7|C<3>}	112.6660	0.000	1	112.5395	0.032	2	112.5395	0.032	2	112.5395	0.032	2	110.3541	2.335	60	110.3541	2.335	60
679	537	622	0:SP3_SP2_SP3	B[5a,6]	O[5a]	O[6]	2:2:2:2:	3:4:	4:4:	O[5a]-2:O[5a]-2:O[6]-2:O[6]-2:	C[5a,6a]-3:B[5a,6]-4:	B[5a,6]-4:P[6]-4:	B[5a,6](O[5a]C[5a,6a])2(O[6]N[6])(O[6]P[6])	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]O[5a]O[6]2)	O[6](B[5a,6]O[5a]2O[6])(P[6]C[6]CC)	B[5a,6](O[5a]C[5a,6a])2(O[6]N[6])(O[6]P[6]){2|C<4>,3|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]O[5a]O[6]2){1|H<1>,1|N<2>,1|P<4>,2|C<3>}	O[6](B[5a,6]O[5a]2O[6])(P[6]C[6]CC){1|N<2>,3|C<3>}	110.0530	0.655	2	110.0530	0.429	2	110.0530	0.429	2	110.0530	0.429	2	107.9738	5.303	12	107.9738	5.303	12
679	537	622	0:SP3_SP2_SP3	B[5a,6]	O[5a]	O[6]	2:2:4:2:	3:4:	4:4:	O[5a]-2:O[5a]-2:P[6]-4:O[6]-2:	C[5a,6a]-3:B[5a,6]-4:	B[5a,6]-4:P[6]-4:	B[5a,6](O[5a]C[5a,6a])2(P[6]O[6]CC)(O[6]P[6])	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]O[5a]O[6]P[6])	O[6](B[5a,6]O[5a]2P[6])(P[6]B[5a,6]CC)	B[5a,6](O[5a]C[5a,6a])2(P[6]O[6]CC)(O[6]P[6]){1|B<4>,2|C<3>,2|C<4>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]O[5a]O[6]P[6]){1|H<1>,1|O<2>,1|P<4>,2|C<3>,2|C<4>}	O[6](B[5a,6]O[5a]2P[6])(P[6]B[5a,6]CC){2|C<3>,2|C<4>,3|O<2>}	110.1055	1.329	2	110.1055	1.765	2	110.1055	1.765	2	110.1055	1.765	2	107.9738	5.303	12	107.9738	5.303	12
679	537	622	0:SP3_SP2_SP3	B[5a,6]	O[5a]	O[6]	3:2:2:2:	4:3:	4:3:	C[6,6a]-3:O[5a]-2:O[5a]-2:O[6]-2:	B[5a,6]-4:C[5a,6a]-3:	B[5a,6]-4:N[6]-3:	B[5a,6](C[6,6a]C[6,6a]C[6a])(O[5a]C[5a,6a])2(O[6]N[6])	O[5a](B[5a,6]C[6,6a]O[5a]O[6])(C[5a,6a]C[5a,6a]C[6a])	O[6](B[5a,6]C[6,6a]O[5a]2)(N[6]C[6]C)	B[5a,6](C[6,6a]C[6,6a]C[6a])(O[5a]C[5a,6a])2(O[6]N[6]){1|C<4>,1|H<1>,5|C<3>}	O[5a](B[5a,6]C[6,6a]O[5a]O[6])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,1|N<3>,4|C<3>}	O[6](B[5a,6]C[6,6a]O[5a]2)(N[6]C[6]C){1|H<1>,4|C<3>}	106.1937	2.329	4	106.1937	5.426	4	106.1937	5.426	4	106.1937	5.426	4	107.9738	5.303	12	107.9738	5.303	12
679	537	622	0:SP3_SP2_SP3	B[5a,6]	O[5a]	O[6]	3:2:2:2:	4:3:	4:4:	C[6,6a]-3:O[5a]-2:O[5a]-2:O[6]-2:	B[5a,6]-4:C[5a,6a]-3:	B[5a,6]-4:C[6]-4:	B[5a,6](C[6,6a]C[6,6a]C[6a])(O[5a]C[5a,6a])2(O[6]C[6])	O[5a](B[5a,6]C[6,6a]O[5a]O[6])(C[5a,6a]C[5a,6a]C[6a])	O[6](B[5a,6]C[6,6a]O[5a]2)(C[6]P[6]HH)	B[5a,6](C[6,6a]C[6,6a]C[6a])(O[5a]C[5a,6a])2(O[6]C[6]){1|P<4>,3|H<1>,4|C<3>}	O[5a](B[5a,6]C[6,6a]O[5a]O[6])(C[5a,6a]C[5a,6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	O[6](B[5a,6]C[6,6a]O[5a]2)(C[6]P[6]HH){6|C<3>}	108.5955	2.278	2	108.5955	5.187	2	108.5955	5.187	2	107.6485	3.010	4	107.9738	5.303	12	107.9738	5.303	12
679	537	622	0:SP3_SP2_SP3	B[5a,6]	O[5a]	O[6]	3:2:2:2:	4:3:	4:4:	N[5,6]-3:O[5a]-2:O[5a]-2:O[6]-2:	B[5a,6]-4:C[5a,6a]-3:	B[5a,6]-4:P[6]-4:	B[5a,6](N[5,6]N[5,6]P[5])(O[5a]C[5a,6a])2(O[6]P[6])	O[5a](B[5a,6]N[5,6]O[5a]O[6])(C[5a,6a]C[5a,6a]C[6a])	O[6](B[5a,6]N[5,6]O[5a]2)(P[6]C[6]CC)	B[5a,6](N[5,6]N[5,6]P[5])(O[5a]C[5a,6a])2(O[6]P[6]){1|B<4>,1|O<2>,2|C<3>,5|C<4>}	O[5a](B[5a,6]N[5,6]O[5a]O[6])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,1|N<3>,2|C<3>,2|P<4>}	O[6](B[5a,6]N[5,6]O[5a]2)(P[6]C[6]CC){1|H<1>,1|N<3>,1|P<4>,3|C<3>}	106.7015	0.504	2	106.7015	0.254	2	106.7015	0.254	2	107.6485	3.010	4	107.9738	5.303	12	107.9738	5.303	12
679	537	643	0:SP3_SP2_SP2	B[5a,5a]	O[5a]	C[6a]	3:2:3:2:	4:2:	4:3:3:	N[5a,5a]-3:O[5a]-2:C[6a]-3:O[5a]-2:	B[5a,5a]-4:N[5a]-2:	B[5a,5a]-4:C[6a]-3:C[6a]-3:	B[5a,5a](N[5a,5a]C[5a,6a]C[5a])(O[5a]C[5a,6a])(C[6a]C[6a]2)(O[5a]N[5a])	O[5a](B[5a,5a]N[5a,5a]C[6a]O[5a])(N[5a]C[5a])	C[6a](B[5a,5a]N[5a,5a]O[5a]2)(C[6a]C[6a]H)2	B[5a,5a](N[5a,5a]C[5a,6a]C[5a])(O[5a]C[5a,6a])(C[6a]C[6a]2)(O[5a]N[5a]){2|H<1>,5|C<3>}	O[5a](B[5a,5a]N[5a,5a]C[6a]O[5a])(N[5a]C[5a]){5|C<3>}	C[6a](B[5a,5a]N[5a,5a]O[5a]2)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	108.3990	0.000	1	108.3990	0.000	1	108.3990	0.000	1	108.3990	0.000	1	109.2180	1.342	2	111.0243	6.432	154
679	537	643	0:SP3_SP2_SP2	B[5a,5a]	O[5a]	C[6a]	3:2:3:2:	4:3:	4:3:3:	N[5a,5a]-3:O[5a]-2:C[6a]-3:O[5a]-2:	B[5a,5a]-4:C[5a,6a]-3:	B[5a,5a]-4:C[6a]-3:C[6a]-3:	B[5a,5a](N[5a,5a]C[5a,6a]C[5a])(O[5a]C[5a,6a])(C[6a]C[6a]2)(O[5a]N[5a])	O[5a](B[5a,5a]N[5a,5a]C[6a]O[5a])(C[5a,6a]C[5a,6a]C[6a])	C[6a](B[5a,5a]N[5a,5a]O[5a]2)(C[6a]C[6a]H)2	B[5a,5a](N[5a,5a]C[5a,6a]C[5a])(O[5a]C[5a,6a])(C[6a]C[6a]2)(O[5a]N[5a]){2|H<1>,5|C<3>}	O[5a](B[5a,5a]N[5a,5a]C[6a]O[5a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	C[6a](B[5a,5a]N[5a,5a]O[5a]2)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	110.0370	0.000	1	110.0370	0.000	1	110.0370	0.000	1	110.0370	0.000	1	109.2180	1.342	2	111.0243	6.432	154
679	537	643	0:SP3_SP2_SP2	B[5a,6]	O[5a]	C[6,6a]	3:2:2:2:	4:3:	4:3:3:	C[6,6a]-3:O[5a]-2:O[5a]-2:O[6]-2:	B[5a,6]-4:C[5a,6a]-3:	B[5a,6]-4:C[6,6a]-3:C[6a]-3:	B[5a,6](C[6,6a]C[6,6a]C[6a])(O[5a]C[5a,6a])2(O[6]C[6])	O[5a](B[5a,6]C[6,6a]O[5a]O[6])(C[5a,6a]C[5a,6a]C[6a])	C[6,6a](B[5a,6]O[5a]2O[6])(C[6,6a]C[6a]P[6])(C[6a]C[6a]H)	B[5a,6](C[6,6a]C[6,6a]C[6a])(O[5a]C[5a,6a])2(O[6]C[6]){1|P<4>,3|H<1>,4|C<3>}	O[5a](B[5a,6]C[6,6a]O[5a]O[6])(C[5a,6a]C[5a,6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](B[5a,6]O[5a]2O[6])(C[6,6a]C[6a]P[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	110.9990	1.252	2	110.9990	1.566	2	113.9010	15.573	6	113.9010	15.573	6	112.3892	7.683	20	111.0243	6.432	154
679	537	643	0:SP3_SP2_SP2	B[5a,6]	O[5a]	C[6,6a]	3:2:2:2:	4:3:	4:3:3:	C[6,6a]-3:O[5a]-2:O[5a]-2:O[6]-2:	B[5a,6]-4:C[5a,6a]-3:	B[5a,6]-4:C[6,6a]-3:C[6a]-3:	B[5a,6](C[6,6a]C[6,6a]C[6a])(O[5a]C[5a,6a])2(O[6]N[6])	O[5a](B[5a,6]C[6,6a]O[5a]O[6])(C[5a,6a]C[5a,6a]C[6a])	C[6,6a](B[5a,6]O[5a]2O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	B[5a,6](C[6,6a]C[6,6a]C[6a])(O[5a]C[5a,6a])2(O[6]N[6]){1|C<4>,1|H<1>,5|C<3>}	O[5a](B[5a,6]C[6,6a]O[5a]O[6])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,1|N<3>,4|C<3>}	C[6,6a](B[5a,6]O[5a]2O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	115.3520	4.124	4	115.3520	17.010	4	113.9010	15.573	6	113.9010	15.573	6	112.3892	7.683	20	111.0243	6.432	154
679	537	643	0:SP3_SP2_SP2	B[5a,6]	O[5a]	C[6,6a]	3:2:2:3:	4:3:	4:3:3:	C[6,6a]-3:O[5a]-2:O[5a]-2:N[6]-3:	B[5a,6]-4:C[5a,6a]-3:	B[5a,6]-4:C[6,6a]-3:C[6a]-3:	B[5a,6](C[6,6a]C[6,6a]C[6a])(O[5a]C[5a,6a])2(N[6]C[6]H)	O[5a](B[5a,6]C[6,6a]O[5a]N[6])(C[5a,6a]C[5a,6a]C[6a])	C[6,6a](B[5a,6]O[5a]2N[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	B[5a,6](C[6,6a]C[6,6a]C[6a])(O[5a]C[5a,6a])2(N[6]C[6]H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	O[5a](B[5a,6]C[6,6a]O[5a]N[6])(C[5a,6a]C[5a,6a]C[6a]){2|H<1>,5|C<3>}	C[6,6a](B[5a,6]O[5a]2N[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){4|C<3>,4|H<1>}	113.7000	1.360	2	113.7000	1.851	2	113.7000	1.851	2	113.7000	1.851	2	112.3892	7.683	20	111.0243	6.432	154
679	537	643	0:SP3_SP2_SP2	B[5a,6]	O[5a]	C[6,6a]	3:3:3:2:	3:4:	4:3:3:	N[5a,6]-3:C[6,6a]-3:C[6,6a]-3:O[5a]-2:	C[5a,6a]-3:B[5a,6]-4:	B[5a,6]-4:C[6,6a]-3:C[6a]-3:	B[5a,6](N[5a,6]C[5a,6,6a]C[6])(C[6,6a]C[6,6a]C[6a])2(O[5a]C[5a,6a])	O[5a](C[5a,6a]C[5a,6,6a]C[6a])(B[5a,6]C[6,6a]2N[5a,6])	C[6,6a](B[5a,6]C[6,6a]N[5a,6]O[5a])(C[6,6a]B[5a,6]C[6a])(C[6a]C[6a]Cl)	B[5a,6](N[5a,6]C[5a,6,6a]C[6])(C[6,6a]C[6,6a]C[6a])2(O[5a]C[5a,6a]){1|Cl<1>,1|B<4>,2|H<1>,7|C<3>}	O[5a](C[5a,6a]C[5a,6,6a]C[6a])(B[5a,6]C[6,6a]2N[5a,6]){1|H<1>,7|C<3>}	C[6,6a](B[5a,6]C[6,6a]N[5a,6]O[5a])(C[6,6a]B[5a,6]C[6a])(C[6a]C[6a]Cl){1|N<3>,1|O<2>,2|H<1>,6|C<3>}	114.3300	1.838	2	114.3300	3.380	2	111.4148	3.430	12	111.4148	3.430	12	112.3892	7.683	20	111.0243	6.432	154
679	537	643	0:SP3_SP2_SP2	B[5a,6]	O[5a]	C[6,6a]	3:3:3:2:	3:4:	4:3:3:	N[5a,6]-3:C[6,6a]-3:C[6,6a]-3:O[5a]-2:	C[5a,6a]-3:B[5a,6]-4:	B[5a,6]-4:C[6,6a]-3:C[6a]-3:	B[5a,6](N[5a,6]C[5a,6,6a]C[6])(C[6,6a]C[6,6a]C[6a])2(O[5a]C[5a,6a])	O[5a](C[5a,6a]C[5a,6,6a]C[6a])(B[5a,6]C[6,6a]2N[5a,6])	C[6,6a](B[5a,6]C[6,6a]N[5a,6]O[5a])(C[6,6a]B[5a,6]C[6a])(C[6a]C[6a]H)	B[5a,6](N[5a,6]C[5a,6,6a]C[6])(C[6,6a]C[6,6a]C[6a])2(O[5a]C[5a,6a]){1|B<4>,3|H<1>,7|C<3>}	O[5a](C[5a,6a]C[5a,6,6a]C[6a])(B[5a,6]C[6,6a]2N[5a,6]){1|H<1>,7|C<3>}	C[6,6a](B[5a,6]C[6,6a]N[5a,6]O[5a])(C[6,6a]B[5a,6]C[6a])(C[6a]C[6a]H){1|F<1>,1|H<1>,1|N<3>,1|O<2>,6|C<3>}	111.2142	1.487	4	110.8318	1.550	10	111.4148	3.430	12	111.4148	3.430	12	112.3892	7.683	20	111.0243	6.432	154
679	537	643	0:SP3_SP2_SP2	B[5a,6]	O[5a]	C[6,6a]	3:3:3:2:	3:4:	4:3:3:	N[5a,6]-3:C[6,6a]-3:C[6,6a]-3:O[5a]-2:	C[5a,6a]-3:B[5a,6]-4:	B[5a,6]-4:C[6,6a]-3:C[6a]-3:	B[5a,6](N[5a,6]C[5a,6,6a]C[6])(C[6,6a]C[6,6a]C[6a])2(O[5a]C[5a,6a])	O[5a](C[5a,6a]C[5a,6,6a]C[6a])(B[5a,6]C[6,6a]2N[5a,6])	C[6,6a](B[5a,6]C[6,6a]N[5a,6]O[5a])(C[6,6a]B[5a,6]C[6a])(C[6a]C[6a]H)	B[5a,6](N[5a,6]C[5a,6,6a]C[6])(C[6,6a]C[6,6a]C[6a])2(O[5a]C[5a,6a]){1|B<4>,3|H<1>,7|C<3>}	O[5a](C[5a,6a]C[5a,6,6a]C[6a])(B[5a,6]C[6,6a]2N[5a,6]){1|H<1>,7|C<3>}	C[6,6a](B[5a,6]C[6,6a]N[5a,6]O[5a])(C[6,6a]B[5a,6]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|H<1>,6|C<3>}	111.0533	1.099	4	110.8318	1.550	10	111.4148	3.430	12	111.4148	3.430	12	112.3892	7.683	20	111.0243	6.432	154
679	537	643	0:SP3_SP2_SP2	B[5a,6]	O[5a]	C[6,6a]	3:3:3:2:	3:4:	4:3:3:	N[5a,6]-3:C[6,6a]-3:C[6,6a]-3:O[5a]-2:	C[5a,6a]-3:B[5a,6]-4:	B[5a,6]-4:C[6,6a]-3:C[6a]-3:	B[5a,6](N[5a,6]C[5a,6,6a]C[6])(C[6,6a]C[6,6a]C[6a])2(O[5a]C[5a,6a])	O[5a](C[5a,6a]C[5a,6,6a]C[6a])(B[5a,6]C[6,6a]2N[5a,6])	C[6,6a](B[5a,6]C[6,6a]N[5a,6]O[5a])(C[6,6a]B[5a,6]C[6a])(C[6a]C[6a]H)	B[5a,6](N[5a,6]C[5a,6,6a]C[6])(C[6,6a]C[6,6a]C[6a])2(O[5a]C[5a,6a]){1|Cl<1>,1|B<4>,2|H<1>,7|C<3>}	O[5a](C[5a,6a]C[5a,6,6a]C[6a])(B[5a,6]C[6,6a]2N[5a,6]){1|H<1>,7|C<3>}	C[6,6a](B[5a,6]C[6,6a]N[5a,6]O[5a])(C[6,6a]B[5a,6]C[6a])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|N<3>,1|O<2>,6|C<3>}	109.6240	0.034	2	110.8318	1.550	10	111.4148	3.430	12	111.4148	3.430	12	112.3892	7.683	20	111.0243	6.432	154
679	537	643	0:SP3_SP2_SP2	B[5a,6]	O[5a]	C[6a]	3:2:3:2:	4:3:	4:3:3:	N[5a,6]-3:O[5a]-2:C[6a]-3:O[6]-2:	B[5a,6]-4:C[5a,6a]-3:	B[5a,6]-4:C[6a]-3:C[6a]-3:	B[5a,6](N[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)(O[6]C[6,6a])	O[5a](B[5a,6]N[5a,6]C[6a]O[6])(C[5a,6a]C[5a,6a]C[6a])	C[6a](B[5a,6]N[5a,6]O[5a]O[6])(C[6a]C[6a]H)2	B[5a,6](N[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)(O[6]C[6,6a]){3|H<1>,6|C<3>}	O[5a](B[5a,6]N[5a,6]C[6a]O[6])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,6|C<3>}	C[6a](B[5a,6]N[5a,6]O[5a]O[6])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	112.1805	0.835	2	112.1805	0.697	2	112.1805	0.697	2	112.1805	0.697	2	112.1805	0.697	2	111.0243	6.432	154
679	537	643	0:SP3_SP2_SP2	B[5a]	O[5a]	C[6a]	2:2:3:2:	3:4:	4:3:3:	O[5a]-2:O[5a]-2:C[6a]-3:O-2:	C[5a,6a]-3:B[5a]-4:	B[5a]-4:C[6a]-3:C[6a]-3:	B[5a](O[5a]C[5a,6a])2(C[6a]C[6a]2)(OC)	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]O[5a]O)	C[6a](B[5a]O[5a]2O)(C[6a]C[6a]C)(C[6a]C[6a]H)	B[5a](O[5a]C[5a,6a])2(C[6a]C[6a]2)(OC){1|C<4>,1|H<1>,4|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]O[5a]O){1|H<1>,4|C<3>}	C[6a](B[5a]O[5a]2O)(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	112.1791	1.094	10	112.1791	1.197	10	112.0731	1.047	12	112.0731	1.047	12	110.8243	6.080	130	111.0243	6.432	154
679	537	643	0:SP3_SP2_SP2	B[5a]	O[5a]	C[6a]	2:2:3:2:	3:4:	4:3:3:	O[5a]-2:O[5a]-2:C[6a]-3:O-2:	C[5a,6a]-3:B[5a]-4:	B[5a]-4:C[6a]-3:C[6a]-3:	B[5a](O[5a]C[5a,6a])2(C[6a]C[6a]2)(OH)	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]O[5a]O)	C[6a](B[5a]O[5a]2O)(C[6a]C[6a]H)2	B[5a](O[5a]C[5a,6a])2(C[6a]C[6a]2)(OH){2|H<1>,4|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]O[5a]O){1|H<1>,4|C<3>}	C[6a](B[5a]O[5a]2O)(C[6a]C[6a]H)2{1|H<1>,1|N<4>,3|C<3>}	111.5430	0.276	2	111.5430	0.076	2	112.0731	1.047	12	112.0731	1.047	12	110.8243	6.080	130	111.0243	6.432	154
679	537	643	0:SP3_SP2_SP2	B[5a]	O[5a]	C[6a]	2:2:3:3:	3:4:	4:3:3:	O[5a]-2:O[5a]-2:C[6a]-3:C[6a]-3:	C[5a,6a]-3:B[5a]-4:	B[5a]-4:C[6a]-3:C[6a]-3:	B[5a](O[5a]C[5a,6a])2(C[6a]C[6a]2)2	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(B[5a]C[6a]2O[5a])	C[6a](B[5a]C[6a]O[5a]2)(C[6a]C[6a]F)2	B[5a](O[5a]C[5a,6a])2(C[6a]C[6a]2)2{4|F<1>,6|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(B[5a]C[6a]2O[5a]){7|C<3>}	C[6a](B[5a]C[6a]O[5a]2)(C[6a]C[6a]F)2{2|F<1>,5|C<3>}	109.9366	1.831	28	109.9366	3.352	28	109.9366	3.352	28	111.6402	7.694	46	110.8243	6.080	130	111.0243	6.432	154
679	537	643	0:SP3_SP2_SP2	B[5a]	O[5a]	C[6a]	2:2:3:3:	3:4:	4:3:3:	O[5a]-2:O[5a]-2:C[6a]-3:N[5]-3:	C[5a,6a]-3:B[5a]-4:	B[5a]-4:C[6a]-3:C[6a]-3:	B[5a](O[5a]C[5a,6a])2(C[6a]C[6a]2)(N[5]C[5]2)	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]O[5a]N[5])	C[6a](B[5a]O[5a]2N[5])(C[6a]C[6a]H)2	B[5a](O[5a]C[5a,6a])2(C[6a]C[6a]2)(N[5]C[5]2){1|N<3>,4|H<1>,5|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]O[5a]N[5]){1|H<1>,6|C<3>}	C[6a](B[5a]O[5a]2N[5])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	113.7438	1.551	12	113.7438	2.406	12	113.7438	2.406	12	111.6402	7.694	46	110.8243	6.080	130	111.0243	6.432	154
679	537	643	0:SP3_SP2_SP2	B[5a]	O[5a]	C[6a]	2:2:3:3:	3:4:	4:3:3:	O[5a]-2:O[5a]-2:C[6a]-3:N[6]-3:	C[5a,6a]-3:B[5a]-4:	B[5a]-4:C[6a]-3:C[6a]-3:	B[5a](O[5a]C[5a,6a])2(C[6a]C[6a]2)(N[6]C[6]2)	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]O[5a]N[6])	C[6a](B[5a]O[5a]2N[6])(C[6a]C[6a]H)2	B[5a](O[5a]C[5a,6a])2(C[6a]C[6a]2)(N[6]C[6]2){4|H<1>,6|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]O[5a]N[6]){1|H<1>,6|C<3>}	C[6a](B[5a]O[5a]2N[6])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	115.3832	1.473	6	115.3832	2.170	6	115.3832	2.170	6	111.6402	7.694	46	110.8243	6.080	130	111.0243	6.432	154
679	537	643	0:SP3_SP2_SP2	B[5a]	O[5a]	C[6a]	3:2:2:3:	4:3:	4:3:3:	N[6]-3:O[5a]-2:O[5a]-2:C[6a]-3:	B[5a]-4:C[5a,6]-3:	B[5a]-4:C[6a]-3:C[6a]-3:	B[5a](N[6]C[5a,6]C[6])(O[5a]C[5a,6])2(C[6a]C[6a]2)	O[5a](B[5a]C[6a]O[5a]N[6])(C[5a,6]C[5a,6]C[6])	C[6a](B[5a]O[5a]2N[6])(C[6a]C[6a]H)2	B[5a](N[6]C[5a,6]C[6])(O[5a]C[5a,6])2(C[6a]C[6a]2){1|N<3>,1|O<2>,3|H<1>,5|C<3>}	O[5a](B[5a]C[6a]O[5a]N[6])(C[5a,6]C[5a,6]C[6]){1|H<1>,1|N<3>,5|C<3>}	C[6a](B[5a]O[5a]2N[6])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	112.0320	0.000	1	112.0320	0.000	1	112.1730	0.040	2	112.1730	0.040	2	110.8243	6.080	130	111.0243	6.432	154
679	537	643	0:SP3_SP2_SP2	B[5a]	O[5a]	C[6a]	3:2:2:3:	4:3:	4:3:3:	N[6]-3:O[5a]-2:O[5a]-2:C[6a]-3:	B[5a]-4:C[5a,6]-3:	B[5a]-4:C[6a]-3:C[6a]-3:	B[5a](N[6]C[5a,6]C[6])(O[5a]C[5a,6])2(C[6a]C[6a]2)	O[5a](B[5a]C[6a]O[5a]N[6])(C[5a,6]C[5a,6]N[6])	C[6a](B[5a]O[5a]2N[6])(C[6a]C[6a]H)2	B[5a](N[6]C[5a,6]C[6])(O[5a]C[5a,6])2(C[6a]C[6a]2){1|N<3>,1|O<2>,3|H<1>,5|C<3>}	O[5a](B[5a]C[6a]O[5a]N[6])(C[5a,6]C[5a,6]N[6]){1|B<4>,6|C<3>}	C[6a](B[5a]O[5a]2N[6])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	112.3140	0.000	1	112.3140	0.000	1	112.1730	0.040	2	112.1730	0.040	2	110.8243	6.080	130	111.0243	6.432	154
679	537	643	0:SP3_SP2_SP2	B[5a]	O[5a]	C[6a]	3:2:3:2:	3:4:	4:3:3:	N[5a,6]-3:O[5a]-2:C[6a]-3:O-2:	C[5a,6a]-3:B[5a]-4:	B[5a]-4:C[6a]-3:C[6a]-3:	B[5a](N[5a,6]C[5a,6,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)(OB[5a])	O[5a](C[5a,6a]C[5a,6,6a]C[6a])(B[5a]N[5a,6]C[6a]O)	C[6a](B[5a]N[5a,6]O[5a]O)(C[6a]C[6a]F)2	B[5a](N[5a,6]C[5a,6,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)(OB[5a]){1|H<1>,2|F<1>,5|C<3>}	O[5a](C[5a,6a]C[5a,6,6a]C[6a])(B[5a]N[5a,6]C[6a]O){1|H<1>,5|C<3>}	C[6a](B[5a]N[5a,6]O[5a]O)(C[6a]C[6a]F)2{2|F<1>,4|C<3>}	112.3395	0.216	2	112.3395	0.047	2	112.3395	0.047	2	112.3395	0.047	2	110.8243	6.080	130	111.0243	6.432	154
679	537	643	0:SP3_SP2_SP2	B[5a]	O[5a]	C[6a]	3:2:3:3:	3:4:	4:3:3:	N[5a,6]-3:O[5a]-2:C[6a]-3:C[6a]-3:	C[5a,6a]-3:B[5a]-4:	B[5a]-4:C[6a]-3:C[6a]-3:	B[5a](N[5a,6]C[5a,6,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)2	O[5a](C[5a,6a]C[5a,6,6a]C[6a])(B[5a]N[5a,6]C[6a]2)	C[6a](B[5a]N[5a,6]C[6a]O[5a])(C[6a]C[6a]2)(C[6a]C[6a]F)	B[5a](N[5a,6]C[5a,6,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)2{1|F<1>,2|H<1>,9|C<3>}	O[5a](C[5a,6a]C[5a,6,6a]C[6a])(B[5a]N[5a,6]C[6a]2){1|H<1>,7|C<3>}	C[6a](B[5a]N[5a,6]C[6a]O[5a])(C[6a]C[6a]2)(C[6a]C[6a]F){2|F<1>,8|C<3>}	110.1990	0.359	2	110.1990	0.129	2	109.9013	3.770	58	109.8508	4.108	60	110.8243	6.080	130	111.0243	6.432	154
679	537	643	0:SP3_SP2_SP2	B[5a]	O[5a]	C[6a]	3:2:3:3:	3:4:	4:3:3:	N[5a,6]-3:O[5a]-2:C[6a]-3:C[6a]-3:	C[5a,6a]-3:B[5a]-4:	B[5a]-4:C[6a]-3:C[6a]-3:	B[5a](N[5a,6]C[5a,6,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)2	O[5a](C[5a,6a]C[5a,6,6a]C[6a])(B[5a]N[5a,6]C[6a]2)	C[6a](B[5a]N[5a,6]C[6a]O[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	B[5a](N[5a,6]C[5a,6,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)2{1|F<1>,1|N<2>,3|H<1>,7|C<3>}	O[5a](C[5a,6a]C[5a,6,6a]C[6a])(B[5a]N[5a,6]C[6a]2){1|H<1>,7|C<3>}	C[6a](B[5a]N[5a,6]C[6a]O[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,8|C<3>}	112.2580	2.347	4	111.5646	7.604	8	109.9013	3.770	58	109.8508	4.108	60	110.8243	6.080	130	111.0243	6.432	154
679	537	643	0:SP3_SP2_SP2	B[5a]	O[5a]	C[6a]	3:2:3:3:	3:4:	4:3:3:	N[5a,6]-3:O[5a]-2:C[6a]-3:C[6a]-3:	C[5a,6a]-3:B[5a]-4:	B[5a]-4:C[6a]-3:C[6a]-3:	B[5a](N[5a,6]C[5a,6,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)2	O[5a](C[5a,6a]C[5a,6,6a]C[6a])(B[5a]N[5a,6]C[6a]2)	C[6a](B[5a]N[5a,6]C[6a]O[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	B[5a](N[5a,6]C[5a,6,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)2{1|F<1>,2|H<1>,9|C<3>}	O[5a](C[5a,6a]C[5a,6,6a]C[6a])(B[5a]N[5a,6]C[6a]2){1|H<1>,7|C<3>}	C[6a](B[5a]N[5a,6]C[6a]O[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,8|C<3>}	113.6415	1.290	2	111.5646	7.604	8	109.9013	3.770	58	109.8508	4.108	60	110.8243	6.080	130	111.0243	6.432	154
679	537	643	0:SP3_SP2_SP2	B[5a]	O[5a]	C[6a]	3:2:3:3:	3:4:	4:3:3:	N[5a,6]-3:O[5a]-2:C[6a]-3:C[6a]-3:	C[5a,6a]-3:B[5a]-4:	B[5a]-4:C[6a]-3:C[6a]-3:	B[5a](N[5a,6]C[5a,6,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)2	O[5a](C[5a,6a]C[5a,6,6a]C[6a])(B[5a]N[5a,6]C[6a]2)	C[6a](B[5a]N[5a,6]C[6a]O[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	B[5a](N[5a,6]C[5a,6,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)2{3|H<1>,9|C<3>}	O[5a](C[5a,6a]C[5a,6,6a]C[6a])(B[5a]N[5a,6]C[6a]2){1|H<1>,7|C<3>}	C[6a](B[5a]N[5a,6]C[6a]O[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,8|C<3>}	108.1010	0.700	2	111.5646	7.604	8	109.9013	3.770	58	109.8508	4.108	60	110.8243	6.080	130	111.0243	6.432	154
679	537	643	0:SP3_SP2_SP2	B[5a]	O[5a]	C[6a]	3:2:3:3:	3:4:	4:3:3:	N[5a,6]-3:O[5a]-2:C[6a]-3:C[6a]-3:	C[5a,6a]-3:B[5a]-4:	B[5a]-4:C[6a]-3:C[6a]-3:	B[5a](N[5a,6]C[5a,6,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)2	O[5a](C[5a,6a]C[5a,6,6a]C[6a])(B[5a]N[5a,6]C[6a]2)	C[6a](B[5a]N[5a,6]C[6a]O[5a])(C[6a]C[6a]F)2	B[5a](N[5a,6]C[5a,6,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)2{1|H<1>,4|F<1>,7|C<3>}	O[5a](C[5a,6a]C[5a,6,6a]C[6a])(B[5a]N[5a,6]C[6a]2){1|H<1>,7|C<3>}	C[6a](B[5a]N[5a,6]C[6a]O[5a])(C[6a]C[6a]F)2{2|F<1>,6|C<3>}	110.0710	2.574	2	110.0710	6.625	2	109.9013	3.770	58	109.8508	4.108	60	110.8243	6.080	130	111.0243	6.432	154
679	537	643	0:SP3_SP2_SP2	B[5a]	O[5a]	C[6a]	3:2:3:3:	3:4:	4:3:3:	N[5a,6]-3:O[5a]-2:C[6a]-3:C[6a]-3:	C[5a,6a]-3:B[5a]-4:	B[5a]-4:C[6a]-3:C[6a]-3:	B[5a](N[5a,6]C[5a,6,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)2	O[5a](C[5a,6a]C[5a,6,6a]C[6a])(B[5a]N[5a,6]C[6a]2)	C[6a](B[5a]N[5a,6]C[6a]O[5a])(C[6a]C[6a]H)(C[6a]N[6a]F)	B[5a](N[5a,6]C[5a,6,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)2{1|F<1>,1|N<2>,3|H<1>,7|C<3>}	O[5a](C[5a,6a]C[5a,6,6a]C[6a])(B[5a]N[5a,6]C[6a]2){1|H<1>,7|C<3>}	C[6a](B[5a]N[5a,6]C[6a]O[5a])(C[6a]C[6a]H)(C[6a]N[6a]F){1|H<1>,6|C<3>}	107.8935	0.586	4	108.1849	1.858	15	109.9013	3.770	58	109.8508	4.108	60	110.8243	6.080	130	111.0243	6.432	154
679	537	643	0:SP3_SP2_SP2	B[5a]	O[5a]	C[6a]	3:2:3:3:	3:4:	4:3:3:	N[5a,6]-3:O[5a]-2:C[6a]-3:C[6a]-3:	C[5a,6a]-3:B[5a]-4:	B[5a]-4:C[6a]-3:C[6a]-3:	B[5a](N[5a,6]C[5a,6,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)2	O[5a](C[5a,6a]C[5a,6,6a]C[6a])(B[5a]N[5a,6]C[6a]2)	C[6a](B[5a]N[5a,6]C[6a]O[5a])(C[6a]C[6a]H)(C[6a]N[6a]F)	B[5a](N[5a,6]C[5a,6,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)2{1|F<1>,1|N<2>,4|H<1>,6|C<3>}	O[5a](C[5a,6a]C[5a,6,6a]C[6a])(B[5a]N[5a,6]C[6a]2){1|H<1>,7|C<3>}	C[6a](B[5a]N[5a,6]C[6a]O[5a])(C[6a]C[6a]H)(C[6a]N[6a]F){1|H<1>,6|C<3>}	107.8562	1.360	9	108.1849	1.858	15	109.9013	3.770	58	109.8508	4.108	60	110.8243	6.080	130	111.0243	6.432	154
679	537	643	0:SP3_SP2_SP2	B[5a]	O[5a]	C[6a]	3:2:3:3:	3:4:	4:3:3:	N[5a,6]-3:O[5a]-2:C[6a]-3:C[6a]-3:	C[5a,6a]-3:B[5a]-4:	B[5a]-4:C[6a]-3:C[6a]-3:	B[5a](N[5a,6]C[5a,6,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)2	O[5a](C[5a,6a]C[5a,6,6a]C[6a])(B[5a]N[5a,6]C[6a]2)	C[6a](B[5a]N[5a,6]C[6a]O[5a])(C[6a]C[6a]H)(C[6a]N[6a]F)	B[5a](N[5a,6]C[5a,6,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)2{2|F<1>,2|N<2>,3|H<1>,5|C<3>}	O[5a](C[5a,6a]C[5a,6,6a]C[6a])(B[5a]N[5a,6]C[6a]2){1|H<1>,7|C<3>}	C[6a](B[5a]N[5a,6]C[6a]O[5a])(C[6a]C[6a]H)(C[6a]N[6a]F){1|H<1>,6|C<3>}	110.2465	0.613	2	108.1849	1.858	15	109.9013	3.770	58	109.8508	4.108	60	110.8243	6.080	130	111.0243	6.432	154
679	537	643	0:SP3_SP2_SP2	B[5a]	O[5a]	C[6a]	3:2:3:3:	3:4:	4:3:3:	N[5a,6]-3:O[5a]-2:C[6a]-3:C[6a]-3:	C[5a,6a]-3:B[5a]-4:	B[5a]-4:C[6a]-3:C[6a]-3:	B[5a](N[5a,6]C[5a,6,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)2	O[5a](C[5a,6a]C[5a,6,6a]C[6a])(B[5a]N[5a,6]C[6a]2)	C[6a](B[5a]N[5a,6]C[6a]O[5a])(C[6a]C[6a]H)2	B[5a](N[5a,6]C[5a,6,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)2{1|C<4>,4|H<1>,7|C<3>}	O[5a](C[5a,6a]C[5a,6,6a]C[6a])(B[5a]N[5a,6]C[6a]2){1|H<1>,7|C<3>}	C[6a](B[5a]N[5a,6]C[6a]O[5a])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	108.0650	2.724	2	110.2724	1.936	31	109.9013	3.770	58	109.8508	4.108	60	110.8243	6.080	130	111.0243	6.432	154
679	537	643	0:SP3_SP2_SP2	B[5a]	O[5a]	C[6a]	3:2:3:3:	3:4:	4:3:3:	N[5a,6]-3:O[5a]-2:C[6a]-3:C[6a]-3:	C[5a,6a]-3:B[5a]-4:	B[5a]-4:C[6a]-3:C[6a]-3:	B[5a](N[5a,6]C[5a,6,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)2	O[5a](C[5a,6a]C[5a,6,6a]C[6a])(B[5a]N[5a,6]C[6a]2)	C[6a](B[5a]N[5a,6]C[6a]O[5a])(C[6a]C[6a]H)2	B[5a](N[5a,6]C[5a,6,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)2{1|F<1>,1|N<2>,4|H<1>,6|C<3>}	O[5a](C[5a,6a]C[5a,6,6a]C[6a])(B[5a]N[5a,6]C[6a]2){1|H<1>,7|C<3>}	C[6a](B[5a]N[5a,6]C[6a]O[5a])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	109.5903	0.817	9	110.2724	1.936	31	109.9013	3.770	58	109.8508	4.108	60	110.8243	6.080	130	111.0243	6.432	154
679	537	643	0:SP3_SP2_SP2	B[5a]	O[5a]	C[6a]	3:2:3:3:	3:4:	4:3:3:	N[5a,6]-3:O[5a]-2:C[6a]-3:C[6a]-3:	C[5a,6a]-3:B[5a]-4:	B[5a]-4:C[6a]-3:C[6a]-3:	B[5a](N[5a,6]C[5a,6,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)2	O[5a](C[5a,6a]C[5a,6,6a]C[6a])(B[5a]N[5a,6]C[6a]2)	C[6a](B[5a]N[5a,6]C[6a]O[5a])(C[6a]C[6a]H)2	B[5a](N[5a,6]C[5a,6,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)2{5|H<1>,7|C<3>}	O[5a](C[5a,6a]C[5a,6,6a]C[6a])(B[5a]N[5a,6]C[6a]2){1|Br<1>,7|C<3>}	C[6a](B[5a]N[5a,6]C[6a]O[5a])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	110.1205	2.166	2	110.2724	1.936	31	109.9013	3.770	58	109.8508	4.108	60	110.8243	6.080	130	111.0243	6.432	154
679	537	643	0:SP3_SP2_SP2	B[5a]	O[5a]	C[6a]	3:2:3:3:	3:4:	4:3:3:	N[5a,6]-3:O[5a]-2:C[6a]-3:C[6a]-3:	C[5a,6a]-3:B[5a]-4:	B[5a]-4:C[6a]-3:C[6a]-3:	B[5a](N[5a,6]C[5a,6,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)2	O[5a](C[5a,6a]C[5a,6,6a]C[6a])(B[5a]N[5a,6]C[6a]2)	C[6a](B[5a]N[5a,6]C[6a]O[5a])(C[6a]C[6a]H)2	B[5a](N[5a,6]C[5a,6,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)2{5|H<1>,7|C<3>}	O[5a](C[5a,6a]C[5a,6,6a]C[6a])(B[5a]N[5a,6]C[6a]2){1|H<1>,7|C<3>}	C[6a](B[5a]N[5a,6]C[6a]O[5a])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	110.7951	1.188	14	110.2724	1.936	31	109.9013	3.770	58	109.8508	4.108	60	110.8243	6.080	130	111.0243	6.432	154
679	537	643	0:SP3_SP2_SP2	B[5a]	O[5a]	C[6a]	3:2:3:3:	3:4:	4:3:3:	N[5a,6]-3:O[5a]-2:C[6a]-3:C[6a]-3:	C[5a,6a]-3:B[5a]-4:	B[5a]-4:C[6a]-3:C[6a]-3:	B[5a](N[5a,6]C[5a,6,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)2	O[5a](C[5a,6a]C[5a,6,6a]C[6a])(B[5a]N[5a,6]C[6a]2)	C[6a](B[5a]N[5a,6]C[6a]O[5a])(C[6a]C[6a]H)2	B[5a](N[5a,6]C[5a,6,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)2{5|H<1>,7|C<3>}	O[5a](C[5a,6a]C[5a,6,6a]C[6a])(B[5a]N[5a,6]C[6a]2){1|I<1>,7|C<3>}	C[6a](B[5a]N[5a,6]C[6a]O[5a])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	111.1575	0.672	4	110.2724	1.936	31	109.9013	3.770	58	109.8508	4.108	60	110.8243	6.080	130	111.0243	6.432	154
679	537	643	0:SP3_SP2_SP2	B[5a]	O[5a]	C[6a]	3:2:3:3:	3:4:	4:3:3:	N[5a]-3:O[5a]-2:C[6a]-3:C[6a]-3:	C[5a,6a]-3:B[5a]-4:	B[5a]-4:C[6a]-3:C[6a]-3:	B[5a](N[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)2	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(B[5a]C[6a]2N[5a])	C[6a](B[5a]C[6a]N[5a]O[5a])(C[6a]C[6a]F)2	B[5a](N[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)2{4|F<1>,8|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(B[5a]C[6a]2N[5a]){8|C<3>}	C[6a](B[5a]C[6a]N[5a]O[5a])(C[6a]C[6a]F)2{2|F<1>,6|C<3>}	108.3850	4.800	2	108.3850	23.038	2	108.3850	23.038	2	109.8508	4.108	60	110.8243	6.080	130	111.0243	6.432	154
679	537	643	0:SP3_SP2_SP2	B[5a]	O[5a]	C[6a]	3:3:3:2:	4:3:	4:3:3:	N[5,5a]-3:C[6a]-3:C[6a]-3:O[5a]-2:	B[5a]-4:C[5a]-3:	B[5a]-4:C[6a]-3:C[6a]-3:	B[5a](N[5,5a]N[5,5a]C[5])(C[6a]C[6a]2)2(O[5a]C[5a])	O[5a](B[5a]N[5,5a]C[6a]2)(C[5a]N[5,5a]O)	C[6a](B[5a]N[5,5a]C[6a]O[5a])(C[6a]C[6a]F)2	B[5a](N[5,5a]N[5,5a]C[5])(C[6a]C[6a]2)2(O[5a]C[5a]){1|C<4>,1|O<1>,4|F<1>,6|C<3>}	O[5a](B[5a]N[5,5a]C[6a]2)(C[5a]N[5,5a]O){6|C<3>}	C[6a](B[5a]N[5,5a]C[6a]O[5a])(C[6a]C[6a]F)2{1|N<3>,2|F<1>,5|C<3>}	107.9980	2.430	2	107.9980	5.903	2	107.9980	5.903	2	107.9980	5.903	2	110.8243	6.080	130	111.0243	6.432	154
679	537	643	0:SP3_SP2_SP2	B[5a]	O[5a]	C[6a]	4:2:3:3:	3:4:	4:3:3:	N[5a]-4:O[5a]-2:C[6a]-3:C[6a]-3:	C[5a,6a]-3:B[5a]-4:	B[5a]-4:C[6a]-3:C[6a]-3:	B[5a](N[5a]C[5a,6a]C[6a]H)(O[5a]C[5a,6a])(C[6a]C[6a]2)2	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(B[5a]C[6a]2N[5a])	C[6a](B[5a]C[6a]N[5a]O[5a])(C[6a]C[6a]F)2	B[5a](N[5a]C[5a,6a]C[6a]H)(O[5a]C[5a,6a])(C[6a]C[6a]2)2{4|F<1>,8|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(B[5a]C[6a]2N[5a]){1|H<1>,8|C<3>}	C[6a](B[5a]C[6a]N[5a]O[5a])(C[6a]C[6a]F)2{1|H<1>,2|F<1>,6|C<3>}	110.7315	5.522	2	110.7315	30.490	2	110.7315	30.490	2	110.7315	30.490	2	110.8243	6.080	130	111.0243	6.432	154
679	537	643	0:SP3_SP2_SP2	B[5a]	O[5a]	C[6a]	4:3:3:2:	4:3:	4:3:3:	N[5a]-4:C[6a]-3:C[6a]-3:O[5a]-2:	B[5a]-4:C[5a]-3:	B[5a]-4:C[6a]-3:C[6a]-3:	B[5a](N[5a]N[5a]HH)(C[6a]C[6a]2)2(O[5a]C[5a])	O[5a](B[5a]C[6a]2N[5a])(C[5a]C[6a]N[5a])	C[6a](B[5a]C[6a]N[5a]O[5a])(C[6a]C[6a]F)2	B[5a](N[5a]N[5a]HH)(C[6a]C[6a]2)2(O[5a]C[5a]){4|F<1>,5|C<3>}	O[5a](B[5a]C[6a]2N[5a])(C[5a]C[6a]N[5a]){2|H<1>,6|C<3>}	C[6a](B[5a]C[6a]N[5a]O[5a])(C[6a]C[6a]F)2{1|N<2>,2|F<1>,2|H<1>,4|C<3>}	112.3268	1.659	4	112.3268	2.751	4	112.3268	2.751	4	112.3268	2.751	4	110.8243	6.080	130	111.0243	6.432	154
679	537	679	5:SP3_SP2_SP3	B[5a]	O[5a]	B[5a]	4:3:2:2:	3:4:	4:3:2:2:	B[5a]-4:N[6]-3:O[5a]-2:O[5a]-2:	C[5a,6a]-3:B[5a]-4:	B[5a]-4:N[6]-3:O[5a]-2:O[5a]-2:	B[5a](B[5a]O[5a]2N[6])(N[6]C[5,6]C[6])(O[5a]C[5a,6a])2	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]B[5a]O[5a]N[6])	B[5a](B[5a]O[5a]2N[6])(N[6]C[5,6]C[6])(O[5a]C[5a,6a])2	B[5a](B[5a]O[5a]2N[6])(N[6]C[5,6]C[6])(O[5a]C[5a,6a])2{1|N<3>,2|H<1>,3|C<4>,5|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]B[5a]O[5a]N[6]){1|C<4>,1|H<1>,1|N<3>,2|O<2>,3|C<3>}	B[5a](B[5a]O[5a]2N[6])(N[6]C[5,6]C[6])(O[5a]C[5a,6a])2{1|N<3>,2|H<1>,3|C<4>,5|C<3>}	115.4190	0.151	2	115.4190	0.023	2	115.4190	0.023	2	115.4190	0.023	2	115.4190	0.023	2	115.4190	0.023	2
679	537	727	0:SP3_SP2_SP2	B[5,5a]	O[5a]	C[5,6a]	3:3:2:2:	4:3:	4:3:3:	C[5,6a]-3:N[5]-3:O[5a]-2:O[5a]-2:	B[5,5a]-4:C[5a,6a]-3:	B[5,5a]-4:C[5,6a]-3:C[6a]-3:	B[5,5a](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5])(O[5a]C[5a,6a])2	O[5a](B[5,5a]C[5,6a]O[5a]N[5])(C[5a,6a]C[5a,6a]C[6a])	C[5,6a](B[5,5a]O[5a]2N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	B[5,5a](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5])(O[5a]C[5a,6a])2{1|H<1>,6|C<3>}	O[5a](B[5,5a]C[5,6a]O[5a]N[5])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	C[5,6a](B[5,5a]O[5a]2N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|H<1>,4|C<3>}	118.2242	0.401	4	118.2242	0.161	4	118.2242	0.161	4	117.4116	3.423	5	116.4907	5.020	15	115.0904	8.949	21
679	537	727	0:SP3_SP2_SP2	B[5,5a]	O[5a]	C[5,6a]	3:3:2:2:	4:3:	4:3:3:	N[5a,6]-3:C[5,6a]-3:O[5a]-2:O[5]-2:	B[5,5a]-4:C[5a,6a]-3:	B[5,5a]-4:C[5,6a]-3:C[6a]-3:	B[5,5a](N[5a,6]C[5a,6,6a]C[6])(C[5,6a]C[5,6a]C[6a])(O[5a]C[5a,6a])(O[5]B[5])	O[5a](B[5,5a]C[5,6a]N[5a,6]O[5])(C[5a,6a]C[5a,6,6a]C[6a])	C[5,6a](B[5,5a]N[5a,6]O[5a]O[5])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	B[5,5a](N[5a,6]C[5a,6,6a]C[6])(C[5,6a]C[5,6a]C[6a])(O[5a]C[5a,6a])(O[5]B[5]){1|O<2>,2|H<1>,5|C<3>}	O[5a](B[5,5a]C[5,6a]N[5a,6]O[5])(C[5a,6a]C[5a,6,6a]C[6a]){1|B<3>,1|H<1>,5|C<3>}	C[5,6a](B[5,5a]N[5a,6]O[5a]O[5])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	114.1610	0.000	1	114.1610	0.000	1	114.1610	0.000	1	117.4116	3.423	5	116.4907	5.020	15	115.0904	8.949	21
679	537	727	0:SP3_SP2_SP2	B[5,5a]	O[5a]	C[5,6a]	3:3:3:2:	3:4:	4:3:3:	N[5a,6]-3:C[5,6a]-3:C[5,6a]-3:O[5a]-2:	C[5a,6a]-3:B[5,5a]-4:	B[5,5a]-4:C[5,6a]-3:C[6a]-3:	B[5,5a](N[5a,6]C[5a,6,6a]C[6])(C[5,6a]C[5,6a]C[6a])2(O[5a]C[5a,6a])	O[5a](C[5a,6a]C[5a,6,6a]C[6a])(B[5,5a]C[5,6a]2N[5a,6])	C[5,6a](B[5,5a]C[5,6a]N[5a,6]O[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]F)	B[5,5a](N[5a,6]C[5a,6,6a]C[6])(C[5,6a]C[5,6a]C[6a])2(O[5a]C[5a,6a]){1|H<1>,2|F<1>,7|C<3>}	O[5a](C[5a,6a]C[5a,6,6a]C[6a])(B[5,5a]C[5,6a]2N[5a,6]){1|H<1>,7|C<3>}	C[5,6a](B[5,5a]C[5,6a]N[5a,6]O[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]F){2|F<1>,6|C<3>}	114.2915	3.181	2	114.2915	10.121	2	115.0382	3.403	6	115.0382	3.403	6	116.4907	5.020	15	115.0904	8.949	21
679	537	727	0:SP3_SP2_SP2	B[5,5a]	O[5a]	C[5,6a]	3:3:3:2:	3:4:	4:3:3:	N[5a,6]-3:C[5,6a]-3:C[5,6a]-3:O[5a]-2:	C[5a,6a]-3:B[5,5a]-4:	B[5,5a]-4:C[5,6a]-3:C[6a]-3:	B[5,5a](N[5a,6]C[5a,6,6a]C[6])(C[5,6a]C[5,6a]C[6a])2(O[5a]C[5a,6a])	O[5a](C[5a,6a]C[5a,6,6a]C[6a])(B[5,5a]C[5,6a]2N[5a,6])	C[5,6a](B[5,5a]C[5,6a]N[5a,6]O[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	B[5,5a](N[5a,6]C[5a,6,6a]C[6])(C[5,6a]C[5,6a]C[6a])2(O[5a]C[5a,6a]){3|H<1>,7|C<3>}	O[5a](C[5a,6a]C[5a,6,6a]C[6a])(B[5,5a]C[5,6a]2N[5a,6]){1|H<1>,7|C<3>}	C[5,6a](B[5,5a]C[5,6a]N[5a,6]O[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	115.4115	1.319	4	115.4115	1.741	4	115.0382	3.403	6	115.0382	3.403	6	116.4907	5.020	15	115.0904	8.949	21
679	537	727	0:SP3_SP2_SP2	B[5,5a]	O[5a]	C[5,6a]	3:4:2:2:	4:3:	4:3:3:	C[5,6a]-3:N[4,5]-4:O[5a]-2:O[5a]-2:	B[5,5a]-4:C[5a,6a]-3:	B[5,5a]-4:C[5,6a]-3:C[6a]-3:	B[5,5a](C[5,6a]C[5,6a]C[6a])(N[4,5]C[4]2C[5])(O[5a]C[5a,6a])2	O[5a](B[5,5a]C[5,6a]N[4,5]O[5a])(C[5a,6a]C[5a,6a]C[6a])	C[5,6a](B[5,5a]N[4,5]O[5a]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	B[5,5a](C[5,6a]C[5,6a]C[6a])(N[4,5]C[4]2C[5])(O[5a]C[5a,6a])2{1|C<4>,4|C<3>,7|H<1>}	O[5a](B[5,5a]C[5,6a]N[4,5]O[5a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,3|C<4>,4|C<3>}	C[5,6a](B[5,5a]N[4,5]O[5a]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	117.5182	2.480	4	117.5182	6.150	4	117.5182	6.150	4	117.5182	6.150	4	116.4907	5.020	15	115.0904	8.949	21
679	537	727	0:SP3_SP2_SP2	B[5a,6]	O[5a]	C[5a,6]	3:3:3:2:	3:4:	4:3:2:	N[5a,6]-3:C[5a,6]-3:C[5a,6]-3:O[5a]-2:	C[5a,6a]-3:B[5a,6]-4:	B[5a,6]-4:C[5a,6]-3:S[5a]-2:	B[5a,6](N[5a,6]C[5a,6,6a]C[6])(C[5a,6]C[5a,6]C[5a])(C[5a,6]C[5a,6]S[5a])(O[5a]C[5a,6a])	O[5a](C[5a,6a]C[5a,6,6a]C[6a])(B[5a,6]C[5a,6]2N[5a,6])	C[5a,6](B[5a,6]C[5a,6]N[5a,6]O[5a])(C[5a,6]B[5a,6]C[5a])(S[5a]C[5a])	B[5a,6](N[5a,6]C[5a,6,6a]C[6])(C[5a,6]C[5a,6]C[5a])(C[5a,6]C[5a,6]S[5a])(O[5a]C[5a,6a]){1|B<4>,1|S<2>,2|H<1>,6|C<3>}	O[5a](C[5a,6a]C[5a,6,6a]C[6a])(B[5a,6]C[5a,6]2N[5a,6]){1|H<1>,1|S<2>,6|C<3>}	C[5a,6](B[5a,6]C[5a,6]N[5a,6]O[5a])(C[5a,6]B[5a,6]C[5a])(S[5a]C[5a]){1|N<3>,1|O<2>,2|H<1>,5|C<3>}	113.0800	0.000	1	113.0800	0.000	1	113.0800	0.000	1	113.0800	0.000	1	112.7300	0.245	2	115.0904	8.949	21
679	537	727	0:SP3_SP2_SP2	B[5a,6]	O[5a]	C[5a,6]	3:3:3:2:	3:4:	4:3:3:	N[5a,6]-3:C[5a,6]-3:C[5a,6]-3:O[5a]-2:	C[5a,6a]-3:B[5a,6]-4:	B[5a,6]-4:C[5a,6]-3:C[5a]-3:	B[5a,6](N[5a,6]C[5a,6,6a]C[6])(C[5a,6]C[5a,6]C[5a])(C[5a,6]C[5a,6]S[5a])(O[5a]C[5a,6a])	O[5a](C[5a,6a]C[5a,6,6a]C[6a])(B[5a,6]C[5a,6]2N[5a,6])	C[5a,6](B[5a,6]C[5a,6]N[5a,6]O[5a])(C[5a,6]B[5a,6]S[5a])(C[5a]C[5a]H)	B[5a,6](N[5a,6]C[5a,6,6a]C[6])(C[5a,6]C[5a,6]C[5a])(C[5a,6]C[5a,6]S[5a])(O[5a]C[5a,6a]){1|B<4>,1|S<2>,2|H<1>,6|C<3>}	O[5a](C[5a,6a]C[5a,6,6a]C[6a])(B[5a,6]C[5a,6]2N[5a,6]){1|H<1>,1|S<2>,6|C<3>}	C[5a,6](B[5a,6]C[5a,6]N[5a,6]O[5a])(C[5a,6]B[5a,6]S[5a])(C[5a]C[5a]H){1|H<1>,1|N<3>,1|O<2>,1|S<2>,4|C<3>}	112.3800	0.000	1	112.3800	0.000	1	112.3800	0.000	1	112.3800	0.000	1	112.7300	0.245	2	115.0904	8.949	21
679	537	727	0:SP3_SP2_SP2	B[5a]	O[5a]	C[5a]	3:3:3:2:	3:4:	4:3:2:	N[5a,6]-3:C[5a]-3:C[5a]-3:O[5a]-2:	C[5a,6a]-3:B[5a]-4:	B[5a]-4:C[5a]-3:S[5a]-2:	B[5a](N[5a,6]C[5a,6,6a]C[6])(C[5a]C[5a]S[5a])2(O[5a]C[5a,6a])	O[5a](C[5a,6a]C[5a,6,6a]C[6a])(B[5a]N[5a,6]C[5a]2)	C[5a](B[5a]N[5a,6]C[5a]O[5a])(C[5a]C[5a,6a]H)(S[5a]C[5a,6a])	B[5a](N[5a,6]C[5a,6,6a]C[6])(C[5a]C[5a]S[5a])2(O[5a]C[5a,6a]){3|H<1>,7|C<3>}	O[5a](C[5a,6a]C[5a,6,6a]C[6a])(B[5a]N[5a,6]C[5a]2){1|H<1>,2|S<2>,5|C<3>}	C[5a](B[5a]N[5a,6]C[5a]O[5a])(C[5a]C[5a,6a]H)(S[5a]C[5a,6a]){1|S<2>,6|C<3>}	111.0198	0.735	4	111.0198	0.541	4	111.0198	0.541	4	111.0198	0.541	4	111.0198	0.541	4	115.0904	8.949	21
679	537	762	0:SP3_SP2_SP2	B[5a]	O[5a]	C[6]	2:2:3:2:	3:4:	3:4:3:	O[5a]-2:O[5a]-2:C[6]-3:O-2:	C[5a,6a]-3:B[5a]-4:	N[6]-3:B[5a]-4:B[6]-3:	B[5a](O[5a]C[5a,6a])2(C[6]B[6]N[6])(OC[6a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]C[6]O)	C[6](N[6]C[6a]C[6])(B[5a]O[5a]2O)(B[6]N[6]O)	B[5a](O[5a]C[5a,6a])2(C[6]B[6]N[6])(OC[6a]){1|C<4>,1|N<3>,1|O<2>,3|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]C[6]O){1|B<3>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6a]C[6])(B[5a]O[5a]2O)(B[6]N[6]O){1|C<4>,2|H<1>,5|C<3>}	111.9455	7.386	2	111.9455	54.549	2	111.9455	54.549	2	111.9455	54.549	2	111.9455	54.549	2	111.9455	54.549	2
679	537	790	0:SP3_SP-NON_SP2	B[5a]	O[5a]	Cl	2:2:4:1:	3:4:	4:	O[5a]-2:O[5a]-2:N-4:Cl-1:	C[5a,6a]-3:B[5a]-4:	B[5a]-4:	B[5a](O[5a]C[5a,6a])2(NC3)(Cl)	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]ClN)	Cl(B[5a]O[5a]2N)	B[5a](O[5a]C[5a,6a])2(NC3)(Cl){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]ClN){1|H<1>,2|C<3>}	Cl(B[5a]O[5a]2N)	111.2970	0.185	2	111.2970	0.034	2	111.2970	0.034	2	110.5511	1.301	12	110.5511	1.301	12	110.5511	1.301	12
679	537	790	0:SP3_SP-NON_SP2	B[5a]	O[5a]	Cl	2:2:4:1:	3:4:	4:	O[5a]-2:O[5a]-2:P-4:Cl-1:	C[5a,6a]-3:B[5a]-4:	B[5a]-4:	B[5a](O[5a]C[5a,6a])2(PC3)(Cl)	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]ClP)	Cl(B[5a]O[5a]2P)	B[5a](O[5a]C[5a,6a])2(PC3)(Cl){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]ClP){1|H<1>,2|C<3>}	Cl(B[5a]O[5a]2P)	110.2823	0.978	8	110.2823	0.957	8	110.4019	1.438	10	110.5511	1.301	12	110.5511	1.301	12	110.5511	1.301	12
679	537	790	0:SP3_SP-NON_SP2	B[5a]	O[5a]	Cl	2:2:4:1:	3:4:	4:	O[5a]-2:O[5a]-2:P-4:Cl-1:	C[5a,6a]-3:B[5a]-4:	B[5a]-4:	B[5a](O[5a]C[5a,6a])2(PC[6]3)(Cl)	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]ClP)	Cl(B[5a]O[5a]2P)	B[5a](O[5a]C[5a,6a])2(PC[6]3)(Cl){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]ClP){1|H<1>,2|C<3>}	Cl(B[5a]O[5a]2P)	110.8805	2.381	2	110.8805	5.668	2	110.4019	1.438	10	110.5511	1.301	12	110.5511	1.301	12	110.5511	1.301	12
679	537	813	0:SP3_SP2_SP2	B[5a,6]	O[5a]	N[5a,6]	3:3:2:2:	3:4:	4:3:3:	N[5a,6]-3:N[5a,6]-3:O[5a]-2:O[5a]-2:	C[5a,6a]-3:B[5a,6]-4:	B[5a,6]-4:C[5a,6]-3:C[5a]-3:	B[5a,6](N[5a,6]C[5a,6]C[5a])2(O[5a]C[5a,6a])2	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]N[5a,6]2O[5a])	N[5a,6](B[5a,6]N[5a,6]O[5a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	B[5a,6](N[5a,6]C[5a,6]C[5a])2(O[5a]C[5a,6a])2{2|C<4>,7|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]N[5a,6]2O[5a]){1|H<1>,6|C<3>}	N[5a,6](B[5a,6]N[5a,6]O[5a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|C<4>,2|H<1>,4|C<3>}	111.2867	1.850	12	111.3238	2.617	16	111.3249	2.731	48	111.3249	2.731	48	111.3249	2.731	48	111.3249	2.731	48
679	537	813	0:SP3_SP2_SP2	B[5a,6]	O[5a]	N[5a,6]	3:3:2:2:	3:4:	4:3:3:	N[5a,6]-3:N[5a,6]-3:O[5a]-2:O[5a]-2:	C[5a,6a]-3:B[5a,6]-4:	B[5a,6]-4:C[5a,6]-3:C[5a]-3:	B[5a,6](N[5a,6]C[5a,6]C[5a])2(O[5a]C[5a,6a])2	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]N[5a,6]2O[5a])	N[5a,6](B[5a,6]N[5a,6]O[5a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	B[5a,6](N[5a,6]C[5a,6]C[5a])2(O[5a]C[5a,6a])2{2|C<4>,7|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]N[5a,6]2O[5a]){1|H<1>,6|C<3>}	N[5a,6](B[5a,6]N[5a,6]O[5a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){3|C<4>,4|C<3>}	111.4348	0.713	4	111.3238	2.617	16	111.3249	2.731	48	111.3249	2.731	48	111.3249	2.731	48	111.3249	2.731	48
679	537	813	0:SP3_SP2_SP2	B[5a,6]	O[5a]	N[5a,6]	3:3:2:2:	3:4:	4:3:3:	N[5a,6]-3:N[5a,6]-3:O[5a]-2:O[5a]-2:	C[5a,6a]-3:B[5a,6]-4:	B[5a,6]-4:C[5a,6]-3:C[5a]-3:	B[5a,6](N[5a,6]C[5a,6]C[5a])2(O[5a]C[5a,6a])2	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]N[5a,6]2O[5a])	N[5a,6](B[5a,6]N[5a,6]O[5a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])	B[5a,6](N[5a,6]C[5a,6]C[5a])2(O[5a]C[5a,6a])2{9|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]N[5a,6]2O[5a]){1|H<1>,6|C<3>}	N[5a,6](B[5a,6]N[5a,6]O[5a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a]){2|H<1>,7|C<3>}	112.9190	0.938	12	111.2373	3.592	24	111.3249	2.731	48	111.3249	2.731	48	111.3249	2.731	48	111.3249	2.731	48
679	537	813	0:SP3_SP2_SP2	B[5a,6]	O[5a]	N[5a,6]	3:3:2:2:	3:4:	4:3:3:	N[5a,6]-3:N[5a,6]-3:O[5a]-2:O[5a]-2:	C[5a,6a]-3:B[5a,6]-4:	B[5a,6]-4:C[5a,6]-3:C[5a]-3:	B[5a,6](N[5a,6]C[5a,6]C[5a])2(O[5a]C[5a,6a])2	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]N[5a,6]2O[5a])	N[5a,6](B[5a,6]N[5a,6]O[5a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])	B[5a,6](N[5a,6]C[5a,6]C[5a])2(O[5a]C[5a,6a])2{9|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]N[5a,6]2O[5a]){7|C<3>}	N[5a,6](B[5a,6]N[5a,6]O[5a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a]){2|H<1>,7|C<3>}	109.5555	0.679	12	111.2373	3.592	24	111.3249	2.731	48	111.3249	2.731	48	111.3249	2.731	48	111.3249	2.731	48
679	537	813	0:SP3_SP2_SP2	B[5a,6]	O[5a]	N[5a,6]	3:3:2:2:	3:4:	4:3:3:	N[5a,6]-3:N[5a,6]-3:O[5a]-2:O[5a]-2:	C[5a,6a]-3:B[5a,6]-4:	B[5a,6]-4:C[5a,6]-3:C[5a]-3:	B[5a,6](N[5a,6]C[5a,6]C[5a])2(O[5a]C[5a,6a])2	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]N[5a,6]2O[5a])	N[5a,6](B[5a,6]N[5a,6]O[5a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]H)	B[5a,6](N[5a,6]C[5a,6]C[5a])2(O[5a]C[5a,6a])2{2|H<1>,7|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]N[5a,6]2O[5a]){1|H<1>,6|C<3>}	N[5a,6](B[5a,6]N[5a,6]O[5a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]H){2|H<1>,5|C<3>}	111.5900	0.905	8	111.5900	0.819	8	111.3249	2.731	48	111.3249	2.731	48	111.3249	2.731	48	111.3249	2.731	48
679	537	813	5:SP3_SP2_SP2	B[5,5a]	O[5a]	N[5a,6]	3:3:2:2:	4:3:	3:4:3:	N[5a,6]-3:C[5,6a]-3:O[5a]-2:O[5]-2:	B[5,5a]-4:C[5a,6a]-3:	C[5a,6,6a]-3:B[5,5a]-4:C[6]-3:	B[5,5a](N[5a,6]C[5a,6,6a]C[6])(C[5,6a]C[5,6a]C[6a])(O[5a]C[5a,6a])(O[5]B[5])	O[5a](B[5,5a]C[5,6a]N[5a,6]O[5])(C[5a,6a]C[5a,6,6a]C[6a])	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5,5a]C[5,6a]O[5a]O[5])(C[6]C[6]H)	B[5,5a](N[5a,6]C[5a,6,6a]C[6])(C[5,6a]C[5,6a]C[6a])(O[5a]C[5a,6a])(O[5]B[5]){1|O<2>,2|H<1>,5|C<3>}	O[5a](B[5,5a]C[5,6a]N[5a,6]O[5])(C[5a,6a]C[5a,6,6a]C[6a]){1|B<3>,1|H<1>,5|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5,5a]C[5,6a]O[5a]O[5])(C[6]C[6]H){1|B<3>,1|H<1>,5|C<3>}	99.6805	0.000	1	99.6805	0.000	1	99.6805	0.000	1	99.6805	0.000	1	99.7084	0.094	4	99.4167	2.921	74
679	537	813	5:SP3_SP2_SP2	B[5,5a]	O[5a]	N[5a,6]	3:3:3:2:	3:4:	3:4:3:	N[5a,6]-3:C[5,6a]-3:C[5,6a]-3:O[5a]-2:	C[5a,6a]-3:B[5,5a]-4:	C[5a,6,6a]-3:B[5,5a]-4:C[6]-3:	B[5,5a](N[5a,6]C[5a,6,6a]C[6])(C[5,6a]C[5,6a]C[6a])2(O[5a]C[5a,6a])	O[5a](C[5a,6a]C[5a,6,6a]C[6a])(B[5,5a]C[5,6a]2N[5a,6])	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5,5a]C[5,6a]2O[5a])(C[6]C[6]H)	B[5,5a](N[5a,6]C[5a,6,6a]C[6])(C[5,6a]C[5,6a]C[6a])2(O[5a]C[5a,6a]){1|H<1>,2|F<1>,7|C<3>}	O[5a](C[5a,6a]C[5a,6,6a]C[6a])(B[5,5a]C[5,6a]2N[5a,6]){1|H<1>,7|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5,5a]C[5,6a]2O[5a])(C[6]C[6]H){1|H<1>,7|C<3>}	100.0960	0.000	1	99.7177	0.140	3	99.7177	0.140	3	99.7177	0.140	3	99.7084	0.094	4	99.4167	2.921	74
679	537	813	5:SP3_SP2_SP2	B[5,5a]	O[5a]	N[5a,6]	3:3:3:2:	3:4:	3:4:3:	N[5a,6]-3:C[5,6a]-3:C[5,6a]-3:O[5a]-2:	C[5a,6a]-3:B[5,5a]-4:	C[5a,6,6a]-3:B[5,5a]-4:C[6]-3:	B[5,5a](N[5a,6]C[5a,6,6a]C[6])(C[5,6a]C[5,6a]C[6a])2(O[5a]C[5a,6a])	O[5a](C[5a,6a]C[5a,6,6a]C[6a])(B[5,5a]C[5,6a]2N[5a,6])	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5,5a]C[5,6a]2O[5a])(C[6]C[6]H)	B[5,5a](N[5a,6]C[5a,6,6a]C[6])(C[5,6a]C[5,6a]C[6a])2(O[5a]C[5a,6a]){3|H<1>,7|C<3>}	O[5a](C[5a,6a]C[5a,6,6a]C[6a])(B[5,5a]C[5,6a]2N[5a,6]){1|H<1>,7|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5,5a]C[5,6a]2O[5a])(C[6]C[6]H){1|H<1>,7|C<3>}	99.5286	0.256	2	99.7177	0.140	3	99.7177	0.140	3	99.7177	0.140	3	99.7084	0.094	4	99.4167	2.921	74
679	537	813	5:SP3_SP2_SP2	B[5a,6]	O[5a]	N[5a,6]	3:2:2:1:	3:4:	3:4:3:	N[5a,6]-3:O[5a]-2:O[6]-2:F-1:	C[5a,6a]-3:B[5a,6]-4:	C[5a,6a]-3:B[5a,6]-4:C[6]-3:	B[5a,6](N[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(O[6]C[6,6a])(F)	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]N[5a,6]O[6]F)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]O[5a]O[6]F)(C[6]C[6,6a]H)	B[5a,6](N[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(O[6]C[6,6a])(F){1|H<1>,4|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]N[5a,6]O[6]F){1|H<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]O[5a]O[6]F)(C[6]C[6,6a]H){1|H<1>,4|C<3>}	102.2610	0.253	2	102.2610	0.064	2	102.2610	0.064	2	102.2610	0.064	2	100.2150	4.038	15	99.4167	2.921	74
679	537	813	5:SP3_SP2_SP2	B[5a,6]	O[5a]	N[5a,6]	3:2:3:1:	3:4:	3:4:2:	N[5a,6]-3:O[5a]-2:N[6]-3:F-1:	C[5a,6a]-3:B[5a,6]-4:	C[5a,6a]-3:B[5a,6]-4:N[6]-2:	B[5a,6](N[5a,6]C[5a,6a]N[6])(O[5a]C[5a,6a])(N[6]C[5a,6]S)(F)	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]N[5a,6]N[6]F)	N[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(B[5a,6]O[5a]N[6]F)(N[6]C[5a,6])	B[5a,6](N[5a,6]C[5a,6a]N[6])(O[5a]C[5a,6a])(N[6]C[5a,6]S)(F){1|N<3>,3|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]N[5a,6]N[6]F){1|H<1>,1|N<2>,1|S<4>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(B[5a,6]O[5a]N[6]F)(N[6]C[5a,6]){1|S<4>,5|C<3>}	100.8470	0.000	1	100.8470	0.000	1	100.8470	0.000	1	100.8470	0.000	1	100.2150	4.038	15	99.4167	2.921	74
679	537	813	5:SP3_SP2_SP2	B[5a,6]	O[5a]	N[5a,6]	3:2:3:2:	4:3:	4:3:3:	N[5a,6]-3:O[5a]-2:C[6a]-3:O[6]-2:	B[5a,6]-4:C[5a,6a]-3:	B[5a,6]-4:C[5a,6a]-3:C[6]-3:	B[5a,6](N[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)(O[6]C[6,6a])	O[5a](B[5a,6]N[5a,6]C[6a]O[6])(C[5a,6a]C[5a,6a]C[6a])	N[5a,6](B[5a,6]C[6a]O[5a]O[6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]H)	B[5a,6](N[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)(O[6]C[6,6a]){3|H<1>,6|C<3>}	O[5a](B[5a,6]N[5a,6]C[6a]O[6])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,6|C<3>}	N[5a,6](B[5a,6]C[6a]O[5a]O[6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]H){1|H<1>,6|C<3>}	99.2446	0.783	2	99.2446	0.613	2	99.2446	0.613	2	99.2446	0.613	2	100.2150	4.038	15	99.4167	2.921	74
679	537	813	5:SP3_SP2_SP2	B[5a,6]	O[5a]	N[5a,6]	3:3:2:1:	3:4:	3:4:3:	N[5a,6]-3:N[6]-3:O[5a]-2:F-1:	C[5a,6a]-3:B[5a,6]-4:	C[5a,6a]-3:B[5a,6]-4:C[6]-3:	B[5a,6](N[5a,6]C[5a,6a]C[6])(N[6]C[6a]C[6])(O[5a]C[5a,6a])(F)	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]N[5a,6]N[6]F)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]O[5a]N[6]F)(C[6]C[6]C)	B[5a,6](N[5a,6]C[5a,6a]C[6])(N[6]C[6a]C[6])(O[5a]C[5a,6a])(F){2|C<4>,5|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]N[5a,6]N[6]F){1|H<1>,5|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]O[5a]N[6]F)(C[6]C[6]C){2|H<1>,4|C<3>}	103.5880	0.000	1	103.5880	0.000	1	103.5880	0.000	1	103.5880	0.000	1	100.2150	4.038	15	99.4167	2.921	74
679	537	813	5:SP3_SP2_SP2	B[5a,6]	O[5a]	N[5a,6]	3:3:2:2:	3:4:	3:4:3:	N[5a,6]-3:N[6]-3:O[5a]-2:O-2:	C[5a,6a]-3:B[5a,6]-4:	C[5a,6a]-3:B[5a,6]-4:C[6]-3:	B[5a,6](N[5a,6]C[5a,6a]C[6])(N[6]C[6a]C[6])(O[5a]C[5a,6a])(OB[5a,6])	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]N[5a,6]N[6]O)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]O[5a]N[6]O)(C[6]C[6]C)	B[5a,6](N[5a,6]C[5a,6a]C[6])(N[6]C[6a]C[6])(O[5a]C[5a,6a])(OB[5a,6]){2|C<4>,5|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]N[5a,6]N[6]O){1|H<1>,5|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]O[5a]N[6]O)(C[6]C[6]C){2|H<1>,4|C<3>}	102.8745	0.344	2	102.8745	0.119	2	102.8745	0.119	2	102.8745	0.119	2	100.2150	4.038	15	99.4167	2.921	74
679	537	813	5:SP3_SP2_SP2	B[5a,6]	O[5a]	N[5a,6]	3:3:3:2:	3:4:	3:4:3:	N[5a,6]-3:C[5a,6]-3:C[5a,6]-3:O[5a]-2:	C[5a,6a]-3:B[5a,6]-4:	C[5a,6,6a]-3:B[5a,6]-4:C[6]-3:	B[5a,6](N[5a,6]C[5a,6,6a]C[6])(C[5a,6]C[5a,6]C[5a])(C[5a,6]C[5a,6]S[5a])(O[5a]C[5a,6a])	O[5a](C[5a,6a]C[5a,6,6a]C[6a])(B[5a,6]C[5a,6]2N[5a,6])	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a,6]C[5a,6]2O[5a])(C[6]C[6]H)	B[5a,6](N[5a,6]C[5a,6,6a]C[6])(C[5a,6]C[5a,6]C[5a])(C[5a,6]C[5a,6]S[5a])(O[5a]C[5a,6a]){1|B<4>,1|S<2>,2|H<1>,6|C<3>}	O[5a](C[5a,6a]C[5a,6,6a]C[6a])(B[5a,6]C[5a,6]2N[5a,6]){1|H<1>,1|S<2>,6|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a,6]C[5a,6]2O[5a])(C[6]C[6]H){1|H<1>,1|S<2>,6|C<3>}	98.2932	0.000	1	98.2932	0.000	1	98.2932	0.000	1	98.5756	0.123	7	100.2150	4.038	15	99.4167	2.921	74
679	537	813	5:SP3_SP2_SP2	B[5a,6]	O[5a]	N[5a,6]	3:3:3:2:	3:4:	3:4:3:	N[5a,6]-3:C[6,6a]-3:C[6,6a]-3:O[5a]-2:	C[5a,6a]-3:B[5a,6]-4:	C[5a,6,6a]-3:B[5a,6]-4:C[6]-3:	B[5a,6](N[5a,6]C[5a,6,6a]C[6])(C[6,6a]C[6,6a]C[6a])2(O[5a]C[5a,6a])	O[5a](C[5a,6a]C[5a,6,6a]C[6a])(B[5a,6]C[6,6a]2N[5a,6])	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a,6]C[6,6a]2O[5a])(C[6]C[6]H)	B[5a,6](N[5a,6]C[5a,6,6a]C[6])(C[6,6a]C[6,6a]C[6a])2(O[5a]C[5a,6a]){1|B<4>,3|H<1>,7|C<3>}	O[5a](C[5a,6a]C[5a,6,6a]C[6a])(B[5a,6]C[6,6a]2N[5a,6]){1|H<1>,7|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a,6]C[6,6a]2O[5a])(C[6]C[6]H){1|H<1>,7|C<3>}	98.4167	0.206	4	98.6227	0.129	6	98.6227	0.129	6	98.5756	0.123	7	100.2150	4.038	15	99.4167	2.921	74
679	537	813	5:SP3_SP2_SP2	B[5a,6]	O[5a]	N[5a,6]	3:3:3:2:	3:4:	3:4:3:	N[5a,6]-3:C[6,6a]-3:C[6,6a]-3:O[5a]-2:	C[5a,6a]-3:B[5a,6]-4:	C[5a,6,6a]-3:B[5a,6]-4:C[6]-3:	B[5a,6](N[5a,6]C[5a,6,6a]C[6])(C[6,6a]C[6,6a]C[6a])2(O[5a]C[5a,6a])	O[5a](C[5a,6a]C[5a,6,6a]C[6a])(B[5a,6]C[6,6a]2N[5a,6])	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a,6]C[6,6a]2O[5a])(C[6]C[6]H)	B[5a,6](N[5a,6]C[5a,6,6a]C[6])(C[6,6a]C[6,6a]C[6a])2(O[5a]C[5a,6a]){1|Cl<1>,1|B<4>,2|H<1>,7|C<3>}	O[5a](C[5a,6a]C[5a,6,6a]C[6a])(B[5a,6]C[6,6a]2N[5a,6]){1|H<1>,7|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a,6]C[6,6a]2O[5a])(C[6]C[6]H){1|H<1>,7|C<3>}	99.0346	0.098	2	98.6227	0.129	6	98.6227	0.129	6	98.5756	0.123	7	100.2150	4.038	15	99.4167	2.921	74
679	537	813	5:SP3_SP2_SP2	B[5a]	O[5a]	N[5,5a]	3:3:3:2:	4:3:	4:3:3:	N[5,5a]-3:C[6a]-3:C[6a]-3:O[5a]-2:	B[5a]-4:C[5a]-3:	B[5a]-4:N[5,5a]-3:C[5]-3:	B[5a](N[5,5a]N[5,5a]C[5])(C[6a]C[6a]2)2(O[5a]C[5a])	O[5a](B[5a]N[5,5a]C[6a]2)(C[5a]N[5,5a]O)	N[5,5a](B[5a]C[6a]2O[5a])(N[5,5a]C[5a]C[5])(C[5]C[5]C)	B[5a](N[5,5a]N[5,5a]C[5])(C[6a]C[6a]2)2(O[5a]C[5a]){1|C<4>,1|O<1>,4|F<1>,6|C<3>}	O[5a](B[5a]N[5,5a]C[6a]2)(C[5a]N[5,5a]O){6|C<3>}	N[5,5a](B[5a]C[6a]2O[5a])(N[5,5a]C[5a]C[5])(C[5]C[5]C){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	98.0460	0.000	1	98.0460	0.000	1	98.0460	0.000	1	98.0460	0.000	1	95.2748	5.797	3	99.4167	2.921	74
679	537	813	5:SP3_SP2_SP2	B[5a]	O[5a]	N[5,5a]	3:4:4:2:	4:3:	3:4:2:	N[5,5a]-3:C[6]-4:C[6]-4:O[5a]-2:	B[5a]-4:C[5a]-3:	C[5,5a]-3:B[5a]-4:N[5]-2:	B[5a](N[5,5a]C[5,5a]N[5])(C[6]C[6]2H)2(O[5a]C[5a])	O[5a](B[5a]N[5,5a]C[6]2)(C[5a]C[5,5a]O)	N[5,5a](C[5,5a]C[5,5a]C[5a])(B[5a]O[5a]C[6]2)(N[5]N[5,5a])	B[5a](N[5,5a]C[5,5a]N[5])(C[6]C[6]2H)2(O[5a]C[5a]){1|C<3>,1|N<3>,1|O<2>,4|C<4>,8|H<1>}	O[5a](B[5a]N[5,5a]C[6]2)(C[5a]C[5,5a]O){1|C<3>,1|N<2>,2|H<1>,4|C<4>}	N[5,5a](C[5,5a]C[5,5a]C[5a])(B[5a]O[5a]C[6]2)(N[5]N[5,5a]){1|B<4>,1|C<3>,1|O<2>,2|H<1>,4|C<4>}	93.8892	0.274	2	93.8892	0.075	2	93.8892	0.075	2	93.8892	0.075	2	95.2748	5.797	3	99.4167	2.921	74
679	537	813	5:SP3_SP2_SP2	B[5a]	O[5a]	N[5a,6]	3:2:3:2:	3:4:	3:4:3:	N[5a,6]-3:O[5a]-2:C[6a]-3:O-2:	C[5a,6a]-3:B[5a]-4:	C[5a,6,6a]-3:B[5a]-4:C[6]-3:	B[5a](N[5a,6]C[5a,6,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)(OB[5a])	O[5a](C[5a,6a]C[5a,6,6a]C[6a])(B[5a]N[5a,6]C[6a]O)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[6a]O[5a]O)(C[6]C[6]H)	B[5a](N[5a,6]C[5a,6,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)(OB[5a]){1|H<1>,2|F<1>,5|C<3>}	O[5a](C[5a,6a]C[5a,6,6a]C[6a])(B[5a]N[5a,6]C[6a]O){1|H<1>,5|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[6a]O[5a]O)(C[6]C[6]H){1|H<1>,5|C<3>}	98.3496	0.341	2	98.3496	0.116	2	98.3496	0.116	2	98.3496	0.116	2	99.6373	1.887	33	99.4167	2.921	74
679	537	813	5:SP3_SP2_SP2	B[5a]	O[5a]	N[5a,6]	3:2:3:3:	3:4:	3:4:3:	N[5a,6]-3:O[5a]-2:C[6a]-3:C[6a]-3:	C[5a,6a]-3:B[5a]-4:	C[5a,6,6a]-3:B[5a]-4:C[6]-3:	B[5a](N[5a,6]C[5a,6,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)2	O[5a](C[5a,6a]C[5a,6,6a]C[6a])(B[5a]N[5a,6]C[6a]2)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[6a]2O[5a])(C[6]C[6]C)	B[5a](N[5a,6]C[5a,6,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)2{1|C<4>,4|H<1>,7|C<3>}	O[5a](C[5a,6a]C[5a,6,6a]C[6a])(B[5a]N[5a,6]C[6a]2){1|H<1>,7|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[6a]2O[5a])(C[6]C[6]C){1|H<1>,7|C<3>}	99.2573	0.000	1	99.2573	0.000	1	99.7491	2.008	29	99.7491	2.008	29	99.6373	1.887	33	99.4167	2.921	74
679	537	813	5:SP3_SP2_SP2	B[5a]	O[5a]	N[5a,6]	3:2:3:3:	3:4:	3:4:3:	N[5a,6]-3:O[5a]-2:C[6a]-3:C[6a]-3:	C[5a,6a]-3:B[5a]-4:	C[5a,6,6a]-3:B[5a]-4:C[6]-3:	B[5a](N[5a,6]C[5a,6,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)2	O[5a](C[5a,6a]C[5a,6,6a]C[6a])(B[5a]N[5a,6]C[6a]2)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[6a]2O[5a])(C[6]C[6]H)	B[5a](N[5a,6]C[5a,6,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)2{1|F<1>,1|N<2>,3|H<1>,7|C<3>}	O[5a](C[5a,6a]C[5a,6,6a]C[6a])(B[5a]N[5a,6]C[6a]2){1|H<1>,7|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[6a]2O[5a])(C[6]C[6]H){1|H<1>,7|C<3>}	99.2767	0.272	4	99.7667	2.073	28	99.7491	2.008	29	99.7491	2.008	29	99.6373	1.887	33	99.4167	2.921	74
679	537	813	5:SP3_SP2_SP2	B[5a]	O[5a]	N[5a,6]	3:2:3:3:	3:4:	3:4:3:	N[5a,6]-3:O[5a]-2:C[6a]-3:C[6a]-3:	C[5a,6a]-3:B[5a]-4:	C[5a,6,6a]-3:B[5a]-4:C[6]-3:	B[5a](N[5a,6]C[5a,6,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)2	O[5a](C[5a,6a]C[5a,6,6a]C[6a])(B[5a]N[5a,6]C[6a]2)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[6a]2O[5a])(C[6]C[6]H)	B[5a](N[5a,6]C[5a,6,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)2{1|F<1>,1|N<2>,4|H<1>,6|C<3>}	O[5a](C[5a,6a]C[5a,6,6a]C[6a])(B[5a]N[5a,6]C[6a]2){1|H<1>,7|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[6a]2O[5a])(C[6]C[6]H){1|H<1>,7|C<3>}	100.9774	1.823	9	99.7667	2.073	28	99.7491	2.008	29	99.7491	2.008	29	99.6373	1.887	33	99.4167	2.921	74
679	537	813	5:SP3_SP2_SP2	B[5a]	O[5a]	N[5a,6]	3:2:3:3:	3:4:	3:4:3:	N[5a,6]-3:O[5a]-2:C[6a]-3:C[6a]-3:	C[5a,6a]-3:B[5a]-4:	C[5a,6,6a]-3:B[5a]-4:C[6]-3:	B[5a](N[5a,6]C[5a,6,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)2	O[5a](C[5a,6a]C[5a,6,6a]C[6a])(B[5a]N[5a,6]C[6a]2)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[6a]2O[5a])(C[6]C[6]H)	B[5a](N[5a,6]C[5a,6,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)2{1|F<1>,2|H<1>,9|C<3>}	O[5a](C[5a,6a]C[5a,6,6a]C[6a])(B[5a]N[5a,6]C[6a]2){1|H<1>,7|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[6a]2O[5a])(C[6]C[6]H){1|H<1>,7|C<3>}	98.3851	0.112	2	99.7667	2.073	28	99.7491	2.008	29	99.7491	2.008	29	99.6373	1.887	33	99.4167	2.921	74
679	537	813	5:SP3_SP2_SP2	B[5a]	O[5a]	N[5a,6]	3:2:3:3:	3:4:	3:4:3:	N[5a,6]-3:O[5a]-2:C[6a]-3:C[6a]-3:	C[5a,6a]-3:B[5a]-4:	C[5a,6,6a]-3:B[5a]-4:C[6]-3:	B[5a](N[5a,6]C[5a,6,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)2	O[5a](C[5a,6a]C[5a,6,6a]C[6a])(B[5a]N[5a,6]C[6a]2)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[6a]2O[5a])(C[6]C[6]H)	B[5a](N[5a,6]C[5a,6,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)2{1|H<1>,4|F<1>,7|C<3>}	O[5a](C[5a,6a]C[5a,6,6a]C[6a])(B[5a]N[5a,6]C[6a]2){1|H<1>,7|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[6a]2O[5a])(C[6]C[6]H){1|H<1>,7|C<3>}	99.4362	0.000	1	99.7667	2.073	28	99.7491	2.008	29	99.7491	2.008	29	99.6373	1.887	33	99.4167	2.921	74
679	537	813	5:SP3_SP2_SP2	B[5a]	O[5a]	N[5a,6]	3:2:3:3:	3:4:	3:4:3:	N[5a,6]-3:O[5a]-2:C[6a]-3:C[6a]-3:	C[5a,6a]-3:B[5a]-4:	C[5a,6,6a]-3:B[5a]-4:C[6]-3:	B[5a](N[5a,6]C[5a,6,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)2	O[5a](C[5a,6a]C[5a,6,6a]C[6a])(B[5a]N[5a,6]C[6a]2)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[6a]2O[5a])(C[6]C[6]H)	B[5a](N[5a,6]C[5a,6,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)2{2|F<1>,2|N<2>,3|H<1>,5|C<3>}	O[5a](C[5a,6a]C[5a,6,6a]C[6a])(B[5a]N[5a,6]C[6a]2){1|H<1>,7|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[6a]2O[5a])(C[6]C[6]H){1|H<1>,7|C<3>}	99.4277	0.000	1	99.7667	2.073	28	99.7491	2.008	29	99.7491	2.008	29	99.6373	1.887	33	99.4167	2.921	74
679	537	813	5:SP3_SP2_SP2	B[5a]	O[5a]	N[5a,6]	3:2:3:3:	3:4:	3:4:3:	N[5a,6]-3:O[5a]-2:C[6a]-3:C[6a]-3:	C[5a,6a]-3:B[5a]-4:	C[5a,6,6a]-3:B[5a]-4:C[6]-3:	B[5a](N[5a,6]C[5a,6,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)2	O[5a](C[5a,6a]C[5a,6,6a]C[6a])(B[5a]N[5a,6]C[6a]2)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[6a]2O[5a])(C[6]C[6]H)	B[5a](N[5a,6]C[5a,6,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)2{3|H<1>,9|C<3>}	O[5a](C[5a,6a]C[5a,6,6a]C[6a])(B[5a]N[5a,6]C[6a]2){1|H<1>,7|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[6a]2O[5a])(C[6]C[6]H){1|H<1>,7|C<3>}	98.5911	0.000	1	99.7667	2.073	28	99.7491	2.008	29	99.7491	2.008	29	99.6373	1.887	33	99.4167	2.921	74
679	537	813	5:SP3_SP2_SP2	B[5a]	O[5a]	N[5a,6]	3:2:3:3:	3:4:	3:4:3:	N[5a,6]-3:O[5a]-2:C[6a]-3:C[6a]-3:	C[5a,6a]-3:B[5a]-4:	C[5a,6,6a]-3:B[5a]-4:C[6]-3:	B[5a](N[5a,6]C[5a,6,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)2	O[5a](C[5a,6a]C[5a,6,6a]C[6a])(B[5a]N[5a,6]C[6a]2)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[6a]2O[5a])(C[6]C[6]H)	B[5a](N[5a,6]C[5a,6,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)2{5|H<1>,7|C<3>}	O[5a](C[5a,6a]C[5a,6,6a]C[6a])(B[5a]N[5a,6]C[6a]2){1|Br<1>,7|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[6a]2O[5a])(C[6]C[6]H){1|H<1>,7|C<3>}	98.3525	0.000	1	99.7667	2.073	28	99.7491	2.008	29	99.7491	2.008	29	99.6373	1.887	33	99.4167	2.921	74
679	537	813	5:SP3_SP2_SP2	B[5a]	O[5a]	N[5a,6]	3:2:3:3:	3:4:	3:4:3:	N[5a,6]-3:O[5a]-2:C[6a]-3:C[6a]-3:	C[5a,6a]-3:B[5a]-4:	C[5a,6,6a]-3:B[5a]-4:C[6]-3:	B[5a](N[5a,6]C[5a,6,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)2	O[5a](C[5a,6a]C[5a,6,6a]C[6a])(B[5a]N[5a,6]C[6a]2)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[6a]2O[5a])(C[6]C[6]H)	B[5a](N[5a,6]C[5a,6,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)2{5|H<1>,7|C<3>}	O[5a](C[5a,6a]C[5a,6,6a]C[6a])(B[5a]N[5a,6]C[6a]2){1|H<1>,7|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[6a]2O[5a])(C[6]C[6]H){1|H<1>,7|C<3>}	99.7835	0.700	7	99.7667	2.073	28	99.7491	2.008	29	99.7491	2.008	29	99.6373	1.887	33	99.4167	2.921	74
679	537	813	5:SP3_SP2_SP2	B[5a]	O[5a]	N[5a,6]	3:2:3:3:	3:4:	3:4:3:	N[5a,6]-3:O[5a]-2:C[6a]-3:C[6a]-3:	C[5a,6a]-3:B[5a]-4:	C[5a,6,6a]-3:B[5a]-4:C[6]-3:	B[5a](N[5a,6]C[5a,6,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)2	O[5a](C[5a,6a]C[5a,6,6a]C[6a])(B[5a]N[5a,6]C[6a]2)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[6a]2O[5a])(C[6]C[6]H)	B[5a](N[5a,6]C[5a,6,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)2{5|H<1>,7|C<3>}	O[5a](C[5a,6a]C[5a,6,6a]C[6a])(B[5a]N[5a,6]C[6a]2){1|I<1>,7|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[6a]2O[5a])(C[6]C[6]H){1|H<1>,7|C<3>}	98.2508	0.135	2	99.7667	2.073	28	99.7491	2.008	29	99.7491	2.008	29	99.6373	1.887	33	99.4167	2.921	74
679	537	813	5:SP3_SP2_SP2	B[5a]	O[5a]	N[5a,6]	3:3:3:2:	3:4:	3:4:3:	N[5a,6]-3:C[5a]-3:C[5a]-3:O[5a]-2:	C[5a,6a]-3:B[5a]-4:	C[5a,6,6a]-3:B[5a]-4:C[6]-3:	B[5a](N[5a,6]C[5a,6,6a]C[6])(C[5a]C[5a]S[5a])2(O[5a]C[5a,6a])	O[5a](C[5a,6a]C[5a,6,6a]C[6a])(B[5a]N[5a,6]C[5a]2)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[5a]2O[5a])(C[6]C[6]H)	B[5a](N[5a,6]C[5a,6,6a]C[6])(C[5a]C[5a]S[5a])2(O[5a]C[5a,6a]){3|H<1>,7|C<3>}	O[5a](C[5a,6a]C[5a,6,6a]C[6a])(B[5a]N[5a,6]C[5a]2){1|H<1>,2|S<2>,5|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[5a]2O[5a])(C[6]C[6]H){1|H<1>,2|S<2>,5|C<3>}	99.3033	0.406	2	99.3033	0.165	2	99.3033	0.165	2	99.3033	0.165	2	99.6373	1.887	33	99.4167	2.921	74
679	537	813	5:SP3_SP2_SP2	B[5a]	O[5a]	N[5a]	3:2:1:1:	3:4:	4:2:3:	N[5a]-3:O[5a]-2:F-1:F-1:	C[5a]-3:B[5a]-4:	B[5a]-4:N[5a]-2:C-3:	B[5a](N[5a]N[5a]C)(O[5a]C[5a])(F)2	O[5a](C[5a]C[6a]N[5a])(B[5a]N[5a]FF)	N[5a](B[5a]O[5a]FF)(N[5a]C[5a])(CCH)	B[5a](N[5a]N[5a]C)(O[5a]C[5a])(F)2{1|C<3>}	O[5a](C[5a]C[6a]N[5a])(B[5a]N[5a]FF){3|C<3>}	N[5a](B[5a]O[5a]FF)(N[5a]C[5a])(CCH){1|C<3>}	98.1787	0.429	2	98.1787	0.184	2	98.0718	0.137	9	98.0718	0.137	9	98.9960	1.003	19	99.4167	2.921	74
679	537	813	5:SP3_SP2_SP2	B[5a]	O[5a]	N[5a]	3:2:1:1:	3:4:	4:2:3:	N[5a]-3:O[5a]-2:F-1:F-1:	C[5a]-3:B[5a]-4:	B[5a]-4:N[5a]-2:C-3:	B[5a](N[5a]N[5a]C)(O[5a]C[5a])(F)2	O[5a](C[5a]C[6a]N[5a])(B[5a]N[5a]FF)	N[5a](B[5a]O[5a]FF)(N[5a]C[5a])(CC[5a]H)	B[5a](N[5a]N[5a]C)(O[5a]C[5a])(F)2{1|C<3>}	O[5a](C[5a]C[6a]N[5a])(B[5a]N[5a]FF){3|C<3>}	N[5a](B[5a]O[5a]FF)(N[5a]C[5a])(CC[5a]H){1|C<3>}	98.1635	0.451	3	98.1635	0.204	3	98.0718	0.137	9	98.0718	0.137	9	98.9960	1.003	19	99.4167	2.921	74
679	537	813	5:SP3_SP2_SP2	B[5a]	O[5a]	N[5a]	3:2:1:1:	3:4:	4:2:3:	N[5a]-3:O[5a]-2:F-1:F-1:	C[5a]-3:B[5a]-4:	B[5a]-4:N[5a]-2:C-3:	B[5a](N[5a]N[5a]C)(O[5a]C[5a])(F)2	O[5a](C[5a]C[6a]N[5a])(B[5a]N[5a]FF)	N[5a](B[5a]O[5a]FF)(N[5a]C[5a])(CC[6a]H)	B[5a](N[5a]N[5a]C)(O[5a]C[5a])(F)2{1|C<3>}	O[5a](C[5a]C[6a]N[5a])(B[5a]N[5a]FF){3|C<3>}	N[5a](B[5a]O[5a]FF)(N[5a]C[5a])(CC[6a]H){1|C<3>}	97.9496	0.364	4	97.9496	0.132	4	98.0718	0.137	9	98.0718	0.137	9	98.9960	1.003	19	99.4167	2.921	74
679	537	813	5:SP3_SP2_SP2	B[5a]	O[5a]	N[5a]	3:2:1:1:	4:3:	3:4:3:	N[5a]-3:O[5a]-2:F-1:F-1:	B[5a]-4:C[5a]-3:	C[6a]-3:B[5a]-4:C[5a]-3:	B[5a](N[5a]C[5a]C[6a])(O[5a]C[5a])(F)2	O[5a](B[5a]N[5a]FF)(C[5a]C[5a]C)	N[5a](C[6a]C[6a,6a]C[6a])(B[5a]O[5a]FF)(C[5a]C[5a]C)	B[5a](N[5a]C[5a]C[6a])(O[5a]C[5a])(F)2{4|C<3>}	O[5a](B[5a]N[5a]FF)(C[5a]C[5a]C){2|C<3>}	N[5a](C[6a]C[6a,6a]C[6a])(B[5a]O[5a]FF)(C[5a]C[5a]C){1|H<1>,1|N<2>,3|C<3>}	99.0184	0.000	1	99.0184	0.000	1	99.0184	0.000	1	99.0184	0.000	1	98.9960	1.003	19	99.4167	2.921	74
679	537	813	5:SP3_SP2_SP2	B[5a]	O[5a]	N[5a]	3:2:1:1:	4:3:	4:3:4:	N[5a]-3:O[5a]-2:F-1:F-1:	B[5a]-4:C[5a]-3:	B[5a]-4:C[5a]-3:C-4:	B[5a](N[5a]C[5a]C)(O[5a]C[5a])(F)2	O[5a](B[5a]N[5a]FF)(C[5a]C[5a]C)	N[5a](B[5a]O[5a]FF)(C[5a]C[5a]C)(CCCH)	B[5a](N[5a]C[5a]C)(O[5a]C[5a])(F)2{2|C<3>}	O[5a](B[5a]N[5a]FF)(C[5a]C[5a]C){1|C<3>,1|C<4>}	N[5a](B[5a]O[5a]FF)(C[5a]C[5a]C)(CCCH){1|C<3>}	100.0109	0.223	3	100.0109	0.050	3	100.0388	0.082	8	100.0388	0.082	8	98.9960	1.003	19	99.4167	2.921	74
679	537	813	5:SP3_SP2_SP2	B[5a]	O[5a]	N[5a]	3:2:1:1:	4:3:	4:3:4:	N[5a]-3:O[5a]-2:F-1:F-1:	B[5a]-4:C[5a]-3:	B[5a]-4:C[5a]-3:C-4:	B[5a](N[5a]C[5a]C)(O[5a]C[5a])(F)2	O[5a](B[5a]N[5a]FF)(C[5a]C[5a]C)	N[5a](B[5a]O[5a]FF)(C[5a]C[5a]C)(CCHH)	B[5a](N[5a]C[5a]C)(O[5a]C[5a])(F)2{2|C<3>}	O[5a](B[5a]N[5a]FF)(C[5a]C[5a]C){1|C<3>,1|C<4>}	N[5a](B[5a]O[5a]FF)(C[5a]C[5a]C)(CCHH){1|C<3>}	99.9170	0.042	2	99.9170	0.002	2	100.0388	0.082	8	100.0388	0.082	8	98.9960	1.003	19	99.4167	2.921	74
679	537	813	5:SP3_SP2_SP2	B[5a]	O[5a]	N[5a]	3:2:1:1:	4:3:	4:3:4:	N[5a]-3:O[5a]-2:F-1:F-1:	B[5a]-4:C[5a]-3:	B[5a]-4:C[5a]-3:C-4:	B[5a](N[5a]C[5a]C)(O[5a]C[5a])(F)2	O[5a](B[5a]N[5a]FF)(C[5a]C[5a]C)	N[5a](B[5a]O[5a]FF)(C[5a]C[5a]C)(CC[6a]HH)	B[5a](N[5a]C[5a]C)(O[5a]C[5a])(F)2{2|C<3>}	O[5a](B[5a]N[5a]FF)(C[5a]C[5a]C){1|C<3>,1|C<4>}	N[5a](B[5a]O[5a]FF)(C[5a]C[5a]C)(CC[6a]HH){1|C<3>}	99.6877	0.000	1	99.6877	0.000	1	100.0388	0.082	8	100.0388	0.082	8	98.9960	1.003	19	99.4167	2.921	74
679	537	813	5:SP3_SP2_SP2	B[5a]	O[5a]	N[5a]	3:2:1:1:	4:3:	4:3:4:	N[5a]-3:O[5a]-2:F-1:F-1:	B[5a]-4:C[5a]-3:	B[5a]-4:C[5a]-3:C-4:	B[5a](N[5a]C[5a]C)(O[5a]C[5a])(F)2	O[5a](B[5a]N[5a]FF)(C[5a]C[5a]C)	N[5a](B[5a]O[5a]FF)(C[5a]C[5a]H)(CCHH)	B[5a](N[5a]C[5a]C)(O[5a]C[5a])(F)2{1|C<3>,1|H<1>}	O[5a](B[5a]N[5a]FF)(C[5a]C[5a]C){1|C<4>,1|H<1>}	N[5a](B[5a]O[5a]FF)(C[5a]C[5a]H)(CCHH){1|C<3>}	100.3780	0.298	2	100.3780	0.089	2	100.0388	0.082	8	100.0388	0.082	8	98.9960	1.003	19	99.4167	2.921	74
679	537	813	5:SP3_SP2_SP2	B[5a]	O[5a]	N[5a]	3:2:3:3:	3:4:	3:4:3:	N[5a]-3:O[5a]-2:C[6a]-3:C[6a]-3:	C[5a,6a]-3:B[5a]-4:	C[5a,6a]-3:B[5a]-4:C[6a]-3:	B[5a](N[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)2	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(B[5a]C[6a]2N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(B[5a]C[6a]2O[5a])(C[6a]C[6a]2)	B[5a](N[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)2{4|F<1>,8|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(B[5a]C[6a]2N[5a]){8|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(B[5a]C[6a]2O[5a])(C[6a]C[6a]2){2|C<4>,9|C<3>}	98.9483	0.000	1	98.9483	0.000	1	98.9483	0.000	1	98.9483	0.000	1	98.9960	1.003	19	99.4167	2.921	74
679	537	813	5:SP3_SP2_SP3	B[5a,5a]	O[5a]	N[5a,5a]	3:2:3:2:	4:2:	3:4:3:	N[5a,5a]-3:O[5a]-2:C[6a]-3:O[5a]-2:	B[5a,5a]-4:N[5a]-2:	C[5a,6a]-3:B[5a,5a]-4:C[5a]-3:	B[5a,5a](N[5a,5a]C[5a,6a]C[5a])(O[5a]C[5a,6a])(C[6a]C[6a]2)(O[5a]N[5a])	O[5a](B[5a,5a]N[5a,5a]C[6a]O[5a])(N[5a]C[5a])	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,5a]C[6a]O[5a]2)(C[5a]C[6a]N[5a])	B[5a,5a](N[5a,5a]C[5a,6a]C[5a])(O[5a]C[5a,6a])(C[6a]C[6a]2)(O[5a]N[5a]){2|H<1>,5|C<3>}	O[5a](B[5a,5a]N[5a,5a]C[6a]O[5a])(N[5a]C[5a]){5|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,5a]C[6a]O[5a]2)(C[5a]C[6a]N[5a]){1|H<1>,6|C<3>}	101.4640	0.000	1	101.4640	0.000	1	101.4640	0.000	1	101.4640	0.000	1	102.2255	1.160	2	102.2255	1.160	2
679	537	813	5:SP3_SP2_SP3	B[5a,5a]	O[5a]	N[5a,5a]	3:2:3:2:	4:3:	3:4:3:	N[5a,5a]-3:O[5a]-2:C[6a]-3:O[5a]-2:	B[5a,5a]-4:C[5a,6a]-3:	C[5a,6a]-3:B[5a,5a]-4:C[5a]-3:	B[5a,5a](N[5a,5a]C[5a,6a]C[5a])(O[5a]C[5a,6a])(C[6a]C[6a]2)(O[5a]N[5a])	O[5a](B[5a,5a]N[5a,5a]C[6a]O[5a])(C[5a,6a]C[5a,6a]C[6a])	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,5a]C[6a]O[5a]2)(C[5a]C[6a]N[5a])	B[5a,5a](N[5a,5a]C[5a,6a]C[5a])(O[5a]C[5a,6a])(C[6a]C[6a]2)(O[5a]N[5a]){2|H<1>,5|C<3>}	O[5a](B[5a,5a]N[5a,5a]C[6a]O[5a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,5a]C[6a]O[5a]2)(C[5a]C[6a]N[5a]){1|H<1>,6|C<3>}	102.9870	0.000	1	102.9870	0.000	1	102.9870	0.000	1	102.9870	0.000	1	102.2255	1.160	2	102.2255	1.160	2
679	537	818	0:SP3_SP2_SP2	B[5,5a]	O[5a]	C[5]	4:3:2:2:	4:3:	4:3:3:	N[5,6]-4:C[5]-3:O[5a]-2:O[5a]-2:	B[5,5a]-4:C[5a,6a]-3:	B[5,5a]-4:C[5,5]-3:N[6]-3:	B[5,5a](N[5,6]C[5,5]C[6]2)(C[5]C[5,5]N[6])(O[5a]C[5a,6a])2	O[5a](B[5,5a]N[5,6]O[5a]C[5])(C[5a,6a]C[5a,6a]C[6a])	C[5](B[5,5a]N[5,6]O[5a]2)(C[5,5]C[5,5]N[5,6])(N[6]C[6]2)	B[5,5a](N[5,6]C[5,5]C[6]2)(C[5]C[5,5]N[6])(O[5a]C[5a,6a])2{1|N<4>,3|C<3>,4|C<4>,4|H<1>}	O[5a](B[5,5a]N[5,6]O[5a]C[5])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[5](B[5,5a]N[5,6]O[5a]2)(C[5,5]C[5,5]N[5,6])(N[6]C[6]2){1|B<4>,3|C<3>,4|H<1>,6|C<4>}	114.9540	0.000	1	114.9540	0.000	1	114.9540	0.000	1	114.9540	0.000	1	114.9540	0.000	1	110.8940	6.188	5
679	537	818	0:SP3_SP2_SP2	B[5a]	O[5a]	C[5]	2:2:3:3:	3:4:	4:3:3:	O[5a]-2:O[5a]-2:B[5a]-3:C[5]-3:	C[5a,6a]-3:B[5a]-4:	B[5a]-4:N[5]-3:N[5]-3:	B[5a](O[5a]C[5a,6a])2(B[5a]O[5a]2)(C[5]N[5]2)	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]B[5a]O[5a]C[5])	C[5](B[5a]B[5a]O[5a]2)(N[5]C[6a]C[5])2	B[5a](O[5a]C[5a,6a])2(B[5a]O[5a]2)(C[5]N[5]2){2|C<4>,6|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]B[5a]O[5a]C[5]){1|H<1>,2|C<3>,2|N<3>,2|O<2>}	C[5](B[5a]B[5a]O[5a]2)(N[5]C[6a]C[5])2{2|O<2>,4|H<1>,6|C<3>}	109.8790	1.176	4	109.8790	1.383	4	109.8790	1.383	4	109.8790	1.383	4	109.8790	1.383	4	110.8940	6.188	5
679	537	830	0:SP3_SP-NON_SP2	B[5a,6]	O[5a]	F	3:2:2:1:	3:4:	4:	N[5a,6]-3:O[5a]-2:O[6]-2:F-1:	C[5a,6a]-3:B[5a,6]-4:	B[5a,6]-4:	B[5a,6](N[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(O[6]C[6,6a])(F)	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]N[5a,6]O[6]F)	F(B[5a,6]N[5a,6]O[5a]O[6])	B[5a,6](N[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(O[6]C[6,6a])(F){1|H<1>,4|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]N[5a,6]O[6]F){1|H<1>,4|C<3>}	F(B[5a,6]N[5a,6]O[5a]O[6])	110.9195	0.199	2	110.9195	0.039	2	110.9195	0.039	2	110.9195	0.039	2	111.1925	1.359	4	111.6959	0.894	44
679	537	830	0:SP3_SP-NON_SP2	B[5a,6]	O[5a]	F	3:2:3:1:	3:4:	4:	N[5a,6]-3:O[5a]-2:N[6]-3:F-1:	C[5a,6a]-3:B[5a,6]-4:	B[5a,6]-4:	B[5a,6](N[5a,6]C[5a,6a]N[6])(O[5a]C[5a,6a])(N[6]C[5a,6]S)(F)	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]N[5a,6]N[6]F)	F(B[5a,6]N[5a,6]O[5a]N[6])	B[5a,6](N[5a,6]C[5a,6a]N[6])(O[5a]C[5a,6a])(N[6]C[5a,6]S)(F){1|N<3>,3|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]N[5a,6]N[6]F){1|H<1>,1|N<2>,1|S<4>,3|C<3>}	F(B[5a,6]N[5a,6]O[5a]N[6])	112.8330	0.000	1	112.8330	0.000	1	112.8330	0.000	1	112.8330	0.000	1	111.1925	1.359	4	111.6959	0.894	44
679	537	830	0:SP3_SP-NON_SP2	B[5a,6]	O[5a]	F	3:3:2:1:	3:4:	4:	N[5a,6]-3:N[6]-3:O[5a]-2:F-1:	C[5a,6a]-3:B[5a,6]-4:	B[5a,6]-4:	B[5a,6](N[5a,6]C[5a,6a]C[6])(N[6]C[6a]C[6])(O[5a]C[5a,6a])(F)	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]N[5a,6]N[6]F)	F(B[5a,6]N[5a,6]O[5a]N[6])	B[5a,6](N[5a,6]C[5a,6a]C[6])(N[6]C[6a]C[6])(O[5a]C[5a,6a])(F){2|C<4>,5|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]N[5a,6]N[6]F){1|H<1>,5|C<3>}	F(B[5a,6]N[5a,6]O[5a]N[6])	110.0980	0.000	1	110.0980	0.000	1	110.0980	0.000	1	110.0980	0.000	1	111.1925	1.359	4	111.6959	0.894	44
679	537	830	0:SP3_SP-NON_SP2	B[5a]	O[5a]	F	2:2:1:1:	3:4:	4:	O[5a]-2:O[5a]-2:F-1:F-1:	C[5a,6]-3:B[5a]-4:	B[5a]-4:	B[5a](O[5a]C[5a,6])2(F)2	O[5a](C[5a,6]C[5a,6]C[6,6a])(B[5a]O[5a]FF)	F(B[5a]O[5a]2F)	B[5a](O[5a]C[5a,6])2(F)2{2|C<3>}	O[5a](C[5a,6]C[5a,6]C[6,6a])(B[5a]O[5a]FF){3|C<3>}	F(B[5a]O[5a]2F)	109.6720	1.249	2	109.6720	1.559	2	110.2875	1.025	4	110.2875	1.025	4	111.7462	0.852	40	111.6959	0.894	44
679	537	830	0:SP3_SP-NON_SP2	B[5a]	O[5a]	F	2:2:1:1:	3:4:	4:	O[5a]-2:O[5a]-2:F-1:F-1:	C[5a,6]-3:B[5a]-4:	B[5a]-4:	B[5a](O[5a]C[5a,6])2(F)2	O[5a](C[5a,6]C[5a,6]C[6])(B[5a]O[5a]FF)	F(B[5a]O[5a]2F)	B[5a](O[5a]C[5a,6])2(F)2{2|C<3>}	O[5a](C[5a,6]C[5a,6]C[6])(B[5a]O[5a]FF){1|O<2>,2|C<3>}	F(B[5a]O[5a]2F)	110.9030	0.034	2	110.9030	0.001	2	110.2875	1.025	4	110.2875	1.025	4	111.7462	0.852	40	111.6959	0.894	44
679	537	830	0:SP3_SP-NON_SP2	B[5a]	O[5a]	F	3:2:1:1:	3:4:	4:	N[5a]-3:O[5a]-2:F-1:F-1:	C[5a]-3:B[5a]-4:	B[5a]-4:	B[5a](N[5a]N[5a]C)(O[5a]C[5a])(F)2	O[5a](C[5a]C[6a]N[5a])(B[5a]N[5a]FF)	F(B[5a]N[5a]O[5a]F)	B[5a](N[5a]N[5a]C)(O[5a]C[5a])(F)2{1|C<3>}	O[5a](C[5a]C[6a]N[5a])(B[5a]N[5a]FF){3|C<3>}	F(B[5a]N[5a]O[5a]F)	112.2135	0.508	18	112.2135	0.258	18	112.2135	0.258	18	112.2135	0.258	18	111.7462	0.852	40	111.6959	0.894	44
679	537	830	0:SP3_SP-NON_SP2	B[5a]	O[5a]	F	3:2:1:1:	4:3:	4:	N[5a]-3:O[5a]-2:F-1:F-1:	B[5a]-4:C[5a]-3:	B[5a]-4:	B[5a](N[5a]C[5a]C)(O[5a]C[5a])(F)2	O[5a](B[5a]N[5a]FF)(C[5a]C[5a]C)	F(B[5a]N[5a]O[5a]F)	B[5a](N[5a]C[5a]C)(O[5a]C[5a])(F)2{1|C<3>,1|H<1>}	O[5a](B[5a]N[5a]FF)(C[5a]C[5a]C){1|C<4>,1|H<1>}	F(B[5a]N[5a]O[5a]F)	112.7080	0.140	4	111.6906	0.723	16	111.6031	0.763	18	111.6031	0.763	18	111.7462	0.852	40	111.6959	0.894	44
679	537	830	0:SP3_SP-NON_SP2	B[5a]	O[5a]	F	3:2:1:1:	4:3:	4:	N[5a]-3:O[5a]-2:F-1:F-1:	B[5a]-4:C[5a]-3:	B[5a]-4:	B[5a](N[5a]C[5a]C)(O[5a]C[5a])(F)2	O[5a](B[5a]N[5a]FF)(C[5a]C[5a]C)	F(B[5a]N[5a]O[5a]F)	B[5a](N[5a]C[5a]C)(O[5a]C[5a])(F)2{2|C<3>}	O[5a](B[5a]N[5a]FF)(C[5a]C[5a]C){1|C<3>,1|C<4>}	F(B[5a]N[5a]O[5a]F)	111.3514	0.692	12	111.6906	0.723	16	111.6031	0.763	18	111.6031	0.763	18	111.7462	0.852	40	111.6959	0.894	44
679	537	830	0:SP3_SP-NON_SP2	B[5a]	O[5a]	F	3:2:1:1:	4:3:	4:	N[5a]-3:O[5a]-2:F-1:F-1:	B[5a]-4:C[5a]-3:	B[5a]-4:	B[5a](N[5a]C[5a]C[6a])(O[5a]C[5a])(F)2	O[5a](B[5a]N[5a]FF)(C[5a]C[5a]C)	F(B[5a]N[5a]O[5a]F)	B[5a](N[5a]C[5a]C[6a])(O[5a]C[5a])(F)2{4|C<3>}	O[5a](B[5a]N[5a]FF)(C[5a]C[5a]C){2|C<3>}	F(B[5a]N[5a]O[5a]F)	110.9030	1.008	2	110.9030	1.017	2	111.6031	0.763	18	111.6031	0.763	18	111.7462	0.852	40	111.6959	0.894	44
679	537	849	0:SP3_SP2_SP3	B[5a,6]	O[5a]	P[6]	2:2:4:2:	3:4:	4:2:4:4:	O[5a]-2:O[5a]-2:P[6]-4:O[6]-2:	C[5a,6a]-3:B[5a,6]-4:	B[5a,6]-4:O[6]-2:C-4:C-4:	B[5a,6](O[5a]C[5a,6a])2(P[6]O[6]CC)(O[6]P[6])	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]O[5a]O[6]P[6])	P[6](B[5a,6]O[5a]2O[6])(O[6]B[5a,6])(CC3)2	B[5a,6](O[5a]C[5a,6a])2(P[6]O[6]CC)(O[6]P[6]){1|B<4>,2|C<3>,2|C<4>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]O[5a]O[6]P[6]){1|H<1>,1|O<2>,1|P<4>,2|C<3>,2|C<4>}	P[6](B[5a,6]O[5a]2O[6])(O[6]B[5a,6])(CC3)2{1|P<4>,2|C<3>,2|O<2>}	111.8975	1.329	2	111.8975	1.765	2	111.8975	1.765	2	111.8975	1.765	2	111.8975	1.765	2	111.8975	1.765	2
679	537	856	0:SP3_SP2_SP2	B[5a,6]	O[5a]	N[6,6]	3:2:2:2:	4:3:	4:3:3:	N[6,6]-3:O[5a]-2:O[5a]-2:O[6]-2:	B[5a,6]-4:C[5a,6a]-3:	B[5a,6]-4:C[6,6]-3:C[6]-3:	B[5a,6](N[6,6]C[6,6]C[6])(O[5a]C[5a,6a])2(O[6]C[6])	O[5a](B[5a,6]N[6,6]O[5a]O[6])(C[5a,6a]C[5a,6a]C[6a])	N[6,6](B[5a,6]O[5a]2O[6])(C[6,6]C[6]2)(C[6]C[6]H)	B[5a,6](N[6,6]C[6,6]C[6])(O[5a]C[5a,6a])2(O[6]C[6]){1|H<1>,6|C<3>}	O[5a](B[5a,6]N[6,6]O[5a]O[6])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,5|C<3>}	N[6,6](B[5a,6]O[5a]2O[6])(C[6,6]C[6]2)(C[6]C[6]H){2|H<1>,5|C<3>}	109.6718	0.770	6	109.6718	0.593	6	109.6718	0.593	6	109.6718	0.593	6	109.6718	0.593	6	107.9021	10.358	34
679	537	856	0:SP3_SP2_SP2	B[5a,6]	O[5a]	N[6]	3:2:2:2:	3:4:	4:3:3:	N[6]-3:O[5a]-2:O[5a]-2:O[6]-2:	C[5a,6a]-3:B[5a,6]-4:	B[5a,6]-4:C[6]-3:C[6a]-3:	B[5a,6](N[6]C[6a]C[6])(O[5a]C[5a,6a])2(O[6]C[6,6a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]O[5a]N[6]O[6])	N[6](B[5a,6]O[5a]2O[6])(C[6]C[6,6a]H)(C[6a]C[6a]2)	B[5a,6](N[6]C[6a]C[6])(O[5a]C[5a,6a])2(O[6]C[6,6a]){1|H<1>,6|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]O[5a]N[6]O[6]){1|H<1>,5|C<3>}	N[6](B[5a,6]O[5a]2O[6])(C[6]C[6,6a]H)(C[6a]C[6a]2){2|C<4>,6|C<3>}	108.3260	0.870	2	108.3260	0.756	2	108.3260	0.756	2	108.3260	0.756	2	111.7396	10.848	8	107.9021	10.358	34
679	537	856	0:SP3_SP2_SP2	B[5a,6]	O[5a]	N[6]	3:2:2:3:	4:3:	4:3:1:	C[6,6a]-3:O[5a]-2:O[5a]-2:N[6]-3:	B[5a,6]-4:C[5a,6a]-3:	B[5a,6]-4:C[6]-3:H-1:	B[5a,6](C[6,6a]C[6,6a]C[6a])(O[5a]C[5a,6a])2(N[6]C[6]H)	O[5a](B[5a,6]C[6,6a]O[5a]N[6])(C[5a,6a]C[5a,6a]C[6a])	N[6](B[5a,6]C[6,6a]O[5a]2)(C[6]N[6]C)(H)	B[5a,6](C[6,6a]C[6,6a]C[6a])(O[5a]C[5a,6a])2(N[6]C[6]H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	O[5a](B[5a,6]C[6,6a]O[5a]N[6])(C[5a,6a]C[5a,6a]C[6a]){2|H<1>,5|C<3>}	N[6](B[5a,6]C[6,6a]O[5a]2)(C[6]N[6]C)(H){1|H<1>,4|C<3>}	109.4600	0.048	2	109.4600	0.002	2	109.4600	0.002	2	109.4600	0.002	2	111.7396	10.848	8	107.9021	10.358	34
679	537	856	0:SP3_SP2_SP2	B[5a,6]	O[5a]	N[6]	3:2:3:1:	3:4:	4:3:4:	N[5a,6]-3:O[5a]-2:N[6]-3:F-1:	C[5a,6a]-3:B[5a,6]-4:	B[5a,6]-4:C[5a,6]-3:S-4:	B[5a,6](N[5a,6]C[5a,6a]N[6])(O[5a]C[5a,6a])(N[6]C[5a,6]S)(F)	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]N[5a,6]N[6]F)	N[6](B[5a,6]N[5a,6]O[5a]F)(C[5a,6]C[5a,6]N[5a])(SC[6a]OO)	B[5a,6](N[5a,6]C[5a,6a]N[6])(O[5a]C[5a,6a])(N[6]C[5a,6]S)(F){1|N<3>,3|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]N[5a,6]N[6]F){1|H<1>,1|N<2>,1|S<4>,3|C<3>}	N[6](B[5a,6]N[5a,6]O[5a]F)(C[5a,6]C[5a,6]N[5a])(SC[6a]OO){1|C<4>,1|N<2>,4|C<3>}	117.1280	0.000	1	117.1280	0.000	1	117.1280	0.000	1	117.1280	0.000	1	111.7396	10.848	8	107.9021	10.358	34
679	537	856	0:SP3_SP2_SP2	B[5a,6]	O[5a]	N[6]	3:3:2:1:	3:4:	4:3:3:	N[5a,6]-3:N[6]-3:O[5a]-2:F-1:	C[5a,6a]-3:B[5a,6]-4:	B[5a,6]-4:C[6a]-3:C[6]-3:	B[5a,6](N[5a,6]C[5a,6a]C[6])(N[6]C[6a]C[6])(O[5a]C[5a,6a])(F)	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]N[5a,6]N[6]F)	N[6](B[5a,6]N[5a,6]O[5a]F)(C[6a]C[6a]2)(C[6]C[6]C)	B[5a,6](N[5a,6]C[5a,6a]C[6])(N[6]C[6a]C[6])(O[5a]C[5a,6a])(F){2|C<4>,5|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]N[5a,6]N[6]F){1|H<1>,5|C<3>}	N[6](B[5a,6]N[5a,6]O[5a]F)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,5|C<3>}	113.3230	0.000	1	113.3230	0.000	1	113.3230	0.000	1	113.3230	0.000	1	111.7396	10.848	8	107.9021	10.358	34
679	537	856	0:SP3_SP2_SP2	B[5a,6]	O[5a]	N[6]	3:3:2:2:	3:4:	4:3:3:	N[5a,6]-3:N[6]-3:O[5a]-2:O-2:	C[5a,6a]-3:B[5a,6]-4:	B[5a,6]-4:C[6a]-3:C[6]-3:	B[5a,6](N[5a,6]C[5a,6a]C[6])(N[6]C[6a]C[6])(O[5a]C[5a,6a])(OB[5a,6])	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]N[5a,6]N[6]O)	N[6](B[5a,6]N[5a,6]O[5a]O)(C[6a]C[6a]2)(C[6]C[6]C)	B[5a,6](N[5a,6]C[5a,6a]C[6])(N[6]C[6a]C[6])(O[5a]C[5a,6a])(OB[5a,6]){2|C<4>,5|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]N[5a,6]N[6]O){1|H<1>,5|C<3>}	N[6](B[5a,6]N[5a,6]O[5a]O)(C[6a]C[6a]2)(C[6]C[6]C){1|O<2>,2|H<1>,5|C<3>}	113.9470	0.436	2	113.9470	0.190	2	113.9470	0.190	2	113.9470	0.190	2	111.7396	10.848	8	107.9021	10.358	34
679	537	856	0:SP3_SP2_SP2	B[5a]	O[5a]	N[6]	2:2:3:3:	3:4:	4:3:3:	O[5a]-2:O[5a]-2:C[6a]-3:N[6]-3:	C[5a,6a]-3:B[5a]-4:	B[5a]-4:C[6]-3:C[6]-3:	B[5a](O[5a]C[5a,6a])2(C[6a]C[6a]2)(N[6]C[6]2)	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]O[5a]N[6])	N[6](B[5a]C[6a]O[5a]2)(C[6]C[6]H)2	B[5a](O[5a]C[5a,6a])2(C[6a]C[6a]2)(N[6]C[6]2){4|H<1>,6|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]O[5a]N[6]){1|H<1>,6|C<3>}	N[6](B[5a]C[6a]O[5a]2)(C[6]C[6]H)2{2|H<1>,5|C<3>}	105.6512	0.635	6	105.6512	0.403	6	105.6512	0.403	6	105.6512	0.403	6	105.8362	2.154	20	107.9021	10.358	34
679	537	856	0:SP3_SP2_SP2	B[5a]	O[5a]	N[6]	2:2:3:4:	3:4:	4:3:3:	O[5a]-2:O[5a]-2:N[6]-3:C-4:	C[5a,6a]-3:B[5a]-4:	B[5a]-4:C[6]-3:C[6]-3:	B[5a](O[5a]C[5a,6a])2(N[6]C[6]2)(CH3)	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]N[6]C)	N[6](B[5a]O[5a]2C)(C[6]C[6]H)2	B[5a](O[5a]C[5a,6a])2(N[6]C[6]2)(CH3){2|H<1>,4|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]N[6]C){1|H<1>,4|C<3>}	N[6](B[5a]O[5a]2C)(C[6]C[6]H)2{2|H<1>,3|C<3>}	105.7905	0.577	4	105.7905	0.333	4	105.7905	0.333	4	105.7905	0.333	4	105.8362	2.154	20	107.9021	10.358	34
679	537	856	0:SP3_SP2_SP2	B[5a]	O[5a]	N[6]	2:2:4:3:	3:4:	4:3:3:	O[5a]-2:O[5a]-2:C-4:N[6]-3:	C[5a,6a]-3:B[5a]-4:	B[5a]-4:C[6]-3:C[6]-3:	B[5a](O[5a]C[5a,6a])2(CC[6a]SiH)(N[6]C[6]2)	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]N[6]C)	N[6](B[5a]O[5a]2C)(C[6]C[6]H)2	B[5a](O[5a]C[5a,6a])2(CC[6a]SiH)(N[6]C[6]2){2|H<1>,4|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]N[6]C){1|H<1>,4|C<3>}	N[6](B[5a]O[5a]2C)(C[6]C[6]H)2{2|H<1>,3|C<3>}	105.1467	0.532	6	105.1467	0.283	6	105.1467	0.283	6	105.1467	0.283	6	105.8362	2.154	20	107.9021	10.358	34
679	537	856	0:SP3_SP2_SP2	B[5a]	O[5a]	N[6]	3:2:2:3:	4:3:	3:4:3:	N[6]-3:O[5a]-2:O[5a]-2:C[6a]-3:	B[5a]-4:C[5a,6]-3:	C[5a,6]-3:B[5a]-4:C[6]-3:	B[5a](N[6]C[5a,6]C[6])(O[5a]C[5a,6])2(C[6a]C[6a]2)	O[5a](B[5a]C[6a]O[5a]N[6])(C[5a,6]C[5a,6]C[6])	N[6](C[5a,6]C[5a,6]O[5a])(B[5a]C[6a]O[5a]2)(C[6]C[6]H)	B[5a](N[6]C[5a,6]C[6])(O[5a]C[5a,6])2(C[6a]C[6a]2){1|N<3>,1|O<2>,3|H<1>,5|C<3>}	O[5a](B[5a]C[6a]O[5a]N[6])(C[5a,6]C[5a,6]C[6]){1|H<1>,1|N<3>,5|C<3>}	N[6](C[5a,6]C[5a,6]O[5a])(B[5a]C[6a]O[5a]2)(C[6]C[6]H){1|B<4>,1|H<1>,1|O<2>,5|C<3>}	110.0440	0.000	1	110.0440	0.000	1	107.5520	12.420	2	107.5520	12.420	2	105.8362	2.154	20	107.9021	10.358	34
679	537	856	0:SP3_SP2_SP2	B[5a]	O[5a]	N[6]	3:2:2:3:	4:3:	3:4:3:	N[6]-3:O[5a]-2:O[5a]-2:C[6a]-3:	B[5a]-4:C[5a,6]-3:	C[5a,6]-3:B[5a]-4:C[6]-3:	B[5a](N[6]C[5a,6]C[6])(O[5a]C[5a,6])2(C[6a]C[6a]2)	O[5a](B[5a]C[6a]O[5a]N[6])(C[5a,6]C[5a,6]N[6])	N[6](C[5a,6]C[5a,6]O[5a])(B[5a]C[6a]O[5a]2)(C[6]C[6]H)	B[5a](N[6]C[5a,6]C[6])(O[5a]C[5a,6])2(C[6a]C[6a]2){1|N<3>,1|O<2>,3|H<1>,5|C<3>}	O[5a](B[5a]C[6a]O[5a]N[6])(C[5a,6]C[5a,6]N[6]){1|B<4>,6|C<3>}	N[6](C[5a,6]C[5a,6]O[5a])(B[5a]C[6a]O[5a]2)(C[6]C[6]H){1|B<4>,1|H<1>,1|O<2>,5|C<3>}	105.0600	0.000	1	105.0600	0.000	1	107.5520	12.420	2	107.5520	12.420	2	105.8362	2.154	20	107.9021	10.358	34
679	537	856	0:SP3_SP2_SP2	B[5a]	O[5a]	N[6]	4:3:2:2:	3:4:	4:3:4:	B[5a]-4:N[6]-3:O[5a]-2:O[5a]-2:	C[5a,6a]-3:B[5a]-4:	B[5a]-4:C[5,6]-3:C[6]-4:	B[5a](B[5a]O[5a]2N[6])(N[6]C[5,6]C[6])(O[5a]C[5a,6a])2	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]B[5a]O[5a]N[6])	N[6](B[5a]B[5a]O[5a]2)(C[5,6]N[5,6]C[5])(C[6]C[6]HH)	B[5a](B[5a]O[5a]2N[6])(N[6]C[5,6]C[6])(O[5a]C[5a,6a])2{1|N<3>,2|H<1>,3|C<4>,5|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]B[5a]O[5a]N[6]){1|C<4>,1|H<1>,1|N<3>,2|O<2>,3|C<3>}	N[6](B[5a]B[5a]O[5a]2)(C[5,6]N[5,6]C[5])(C[6]C[6]HH){1|N<3>,2|C<3>,2|O<2>,3|C<4>,4|H<1>}	106.8355	3.624	2	106.8355	13.133	2	106.8355	13.133	2	106.8355	13.133	2	105.8362	2.154	20	107.9021	10.358	34
679	537	891	0:SP3_SP2_SP2	B[5,5a]	O[5a]	S[5]	2:2:2:2:	3:4:	4:3:	O[5a]-2:O[5a]-2:O[5]-2:S[5]-2:	C[5a,6a]-3:B[5,5a]-4:	B[5,5a]-4:C[5]-3:	B[5,5a](O[5a]C[5a,6a])2(O[5]P[5])(S[5]C[5])	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5,5a]O[5a]O[5]S[5])	S[5](B[5,5a]O[5a]2O[5])(C[5]P[5]S)	B[5,5a](O[5a]C[5a,6a])2(O[5]P[5])(S[5]C[5]){1|S<1>,2|C<3>,2|C<4>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5,5a]O[5a]O[5]S[5]){1|H<1>,1|P<4>,3|C<3>}	S[5](B[5,5a]O[5a]2O[5])(C[5]P[5]S){2|C<3>,2|C<4>}	110.3960	2.591	2	110.3960	6.712	2	110.3960	6.712	2	110.3960	6.712	2	110.3960	6.712	2	110.3960	6.712	2
679	537	892	0:SP3_SP2_SP3	B[5a]	O[5a]	N	2:2:4:1:	3:4:	4:4:4:4:	O[5a]-2:O[5a]-2:N-4:Cl-1:	C[5a,6a]-3:B[5a]-4:	B[5a]-4:C-4:C-4:C-4:	B[5a](O[5a]C[5a,6a])2(NC3)(Cl)	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]ClN)	N(B[5a]O[5a]2Cl)(CCHH)3	B[5a](O[5a]C[5a,6a])2(NC3)(Cl){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]ClN){1|H<1>,2|C<3>}	N(B[5a]O[5a]2Cl)(CCHH)3	110.0435	0.439	2	110.0435	0.193	2	110.0435	0.193	2	110.0435	0.193	2	110.0435	0.193	2	110.0435	0.193	2
679	537	893	0:SP3_SP2_SP2	B[5a]	O[5a]	O	2:2:3:2:	3:4:	4:3:	O[5a]-2:O[5a]-2:C[6]-3:O-2:	C[5a,6a]-3:B[5a]-4:	B[5a]-4:C[6a]-3:	B[5a](O[5a]C[5a,6a])2(C[6]B[6]N[6])(OC[6a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]C[6]O)	O(B[5a]O[5a]2C[6])(C[6a]C[6a]2)	B[5a](O[5a]C[5a,6a])2(C[6]B[6]N[6])(OC[6a]){1|C<4>,1|N<3>,1|O<2>,3|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]C[6]O){1|B<3>,1|H<1>,1|N<3>,2|C<3>}	O(B[5a]O[5a]2C[6])(C[6a]C[6a]2)	111.0725	4.273	2	111.0725	18.259	2	111.0725	18.259	2	111.0725	18.259	2	111.0725	18.259	2	111.0725	18.259	2
679	537	893	0:SP3_SP2_SP3	B[5a,6]	O[5a]	O	3:3:2:2:	3:4:	4:4:	N[5a,6]-3:N[6]-3:O[5a]-2:O-2:	C[5a,6a]-3:B[5a,6]-4:	B[5a,6]-4:B[5a,6]-4:	B[5a,6](N[5a,6]C[5a,6a]C[6])(N[6]C[6a]C[6])(O[5a]C[5a,6a])(OB[5a,6])	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]N[5a,6]N[6]O)	O(B[5a,6]N[5a,6]O[5a]N[6])2	B[5a,6](N[5a,6]C[5a,6a]C[6])(N[6]C[6a]C[6])(O[5a]C[5a,6a])(OB[5a,6]){2|C<4>,5|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]N[5a,6]N[6]O){1|H<1>,5|C<3>}	O(B[5a,6]N[5a,6]O[5a]N[6])2	113.2840	0.532	2	113.2840	0.283	2	113.2840	0.283	2	113.2840	0.283	2	113.2840	0.283	2	110.8169	3.402	20
679	537	893	0:SP3_SP2_SP3	B[5a]	O[5a]	O	2:2:2:2:	3:4:	4:4:	O[5a]-2:O[5a]-2:O-2:O-2:	C[5a,6a]-3:B[5a]-4:	B[5a]-4:P-4:	B[5a](O[5a]C[5a,6a])2(OP)2	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]OO)	O(B[5a]O[5a]2O)(PCCO)	B[5a](O[5a]C[5a,6a])2(OP)2{2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]OO){1|H<1>,2|C<3>}	O(B[5a]O[5a]2O)(PCCO)	110.1653	1.431	4	110.1653	2.048	4	110.1653	2.048	4	110.1653	2.048	4	110.5428	2.990	18	110.8169	3.402	20
679	537	893	0:SP3_SP2_SP3	B[5a]	O[5a]	O	2:2:3:2:	3:4:	4:1:	O[5a]-2:O[5a]-2:C[6a]-3:O-2:	C[5a,6a]-3:B[5a]-4:	B[5a]-4:H-1:	B[5a](O[5a]C[5a,6a])2(C[6a]C[6a]2)(OH)	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]O[5a]O)	O(B[5a]C[6a]O[5a]2)(H)	B[5a](O[5a]C[5a,6a])2(C[6a]C[6a]2)(OH){2|H<1>,4|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]O[5a]O){1|H<1>,4|C<3>}	O(B[5a]C[6a]O[5a]2)(H)	108.3240	2.694	2	108.3240	7.258	2	108.3240	7.258	2	108.3240	7.258	2	110.5428	2.990	18	110.8169	3.402	20
679	537	893	0:SP3_SP2_SP3	B[5a]	O[5a]	O	2:2:3:2:	3:4:	4:4:	O[5a]-2:O[5a]-2:C[6a]-3:O-2:	C[5a,6a]-3:B[5a]-4:	B[5a]-4:C-4:	B[5a](O[5a]C[5a,6a])2(C[6a]C[6a]2)(OC)	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]O[5a]O)	O(B[5a]C[6a]O[5a]2)(CH3)	B[5a](O[5a]C[5a,6a])2(C[6a]C[6a]2)(OC){1|C<4>,1|H<1>,4|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]O[5a]O){1|H<1>,4|C<3>}	O(B[5a]C[6a]O[5a]2)(CH3)	110.4930	0.827	10	110.4930	0.684	10	110.4930	0.684	10	110.4930	0.684	10	110.5428	2.990	18	110.8169	3.402	20
679	537	893	0:SP3_SP2_SP3	B[5a]	O[5a]	O	3:2:3:2:	3:4:	4:4:	N[5a,6]-3:O[5a]-2:C[6a]-3:O-2:	C[5a,6a]-3:B[5a]-4:	B[5a]-4:B[5a]-4:	B[5a](N[5a,6]C[5a,6,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)(OB[5a])	O[5a](C[5a,6a]C[5a,6,6a]C[6a])(B[5a]N[5a,6]C[6a]O)	O(B[5a]N[5a,6]C[6a]O[5a])2	B[5a](N[5a,6]C[5a,6,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)(OB[5a]){1|H<1>,2|F<1>,5|C<3>}	O[5a](C[5a,6a]C[5a,6,6a]C[6a])(B[5a]N[5a,6]C[6a]O){1|H<1>,5|C<3>}	O(B[5a]N[5a,6]C[6a]O[5a])2	113.7655	0.221	2	113.7655	0.049	2	113.7655	0.049	2	113.7655	0.049	2	110.5428	2.990	18	110.8169	3.402	20
679	537	976	0:SP3_SP2_SP2	B[5,5a]	O[5a]	O[5]	2:2:2:2:	3:4:	4:3:	O[5a]-2:O[5a]-2:O[5]-2:O[5]-2:	C[5a,6a]-3:B[5,5a]-4:	B[5,5a]-4:C[5]-3:	B[5,5a](O[5a]C[5a,6a])2(O[5]C[5])(O[5]P[5])	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5,5a]O[5a]O[5]2)	O[5](B[5,5a]O[5a]2O[5])(C[5]P[5]N)	B[5,5a](O[5a]C[5a,6a])2(O[5]C[5])(O[5]P[5]){1|N<2>,2|C<3>,2|C<4>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5,5a]O[5a]O[5]2){1|H<1>,1|P<4>,3|C<3>}	O[5](B[5,5a]O[5a]2O[5])(C[5]P[5]N){2|C<3>,2|C<4>}	110.5733	0.757	4	110.5733	0.572	4	110.5733	0.572	4	110.5733	0.572	4	111.5159	1.897	11	111.5159	1.897	11
679	537	976	0:SP3_SP2_SP2	B[5,5a]	O[5a]	O[5]	3:2:2:2:	3:4:	3:4:	O[5]-3:O[5a]-2:O[5a]-2:O[5]-2:	C[5a,6a]-3:B[5,5a]-4:	C[5,6a]-3:B[5,5a]-4:	B[5,5a](O[5]C[5,6a]Ag)(O[5a]C[5a,6a])2(O[5]C[5,6a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5,5a]O[5a]O[5]2)	O[5](C[5,6a]C[5,6a]C[6a])(B[5,5a]O[5a]2O[5])	B[5,5a](O[5]C[5,6a]Ag)(O[5a]C[5a,6a])2(O[5]C[5,6a]){4|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5,5a]O[5a]O[5]2){1|Ag<4>,1|C<4>,4|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(B[5,5a]O[5a]2O[5]){1|Ag<4>,1|C<4>,4|C<3>}	110.1140	0.000	1	110.7195	0.733	2	112.1158	2.302	6	112.1158	2.302	6	111.5159	1.897	11	111.5159	1.897	11
679	537	976	0:SP3_SP2_SP2	B[5,5a]	O[5a]	O[5]	3:2:2:2:	3:4:	3:4:	O[5]-3:O[5a]-2:O[5a]-2:O[5]-2:	C[5a,6a]-3:B[5,5a]-4:	C[5,6a]-3:B[5,5a]-4:	B[5,5a](O[5]C[5,6a]Ag)(O[5a]C[5a,6a])2(O[5]C[5,6a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5,5a]O[5a]O[5]2)	O[5](C[5,6a]C[5,6a]C[6a])(B[5,5a]O[5a]2O[5])	B[5,5a](O[5]C[5,6a]Ag)(O[5a]C[5a,6a])2(O[5]C[5,6a]){4|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5,5a]O[5a]O[5]2){1|Ag<4>,1|H<1>,4|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(B[5,5a]O[5a]2O[5]){1|Ag<4>,1|C<4>,4|C<3>}	111.3250	0.000	1	110.7195	0.733	2	112.1158	2.302	6	112.1158	2.302	6	111.5159	1.897	11	111.5159	1.897	11
679	537	976	0:SP3_SP2_SP2	B[5,5a]	O[5a]	O[5]	3:2:2:2:	3:4:	3:4:	O[5]-3:O[5a]-2:O[5a]-2:O[5]-2:	C[5a,6a]-3:B[5,5a]-4:	C[5,6a]-3:B[5,5a]-4:	B[5,5a](O[5]C[5,6a]Li)(O[5a]C[5a,6a])2(O[5]C[5,6a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5,5a]O[5a]O[5]2)	O[5](C[5,6a]C[5,6a]C[6a])(B[5,5a]O[5a]2O[5])	B[5,5a](O[5]C[5,6a]Li)(O[5a]C[5a,6a])2(O[5]C[5,6a]){4|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5,5a]O[5a]O[5]2){1|Li<4>,1|H<1>,4|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(B[5,5a]O[5a]2O[5]){1|Li<4>,1|H<1>,4|C<3>}	111.7185	0.359	2	111.7185	0.129	2	112.1158	2.302	6	112.1158	2.302	6	111.5159	1.897	11	111.5159	1.897	11
679	537	976	0:SP3_SP2_SP2	B[5,5a]	O[5a]	O[5]	3:2:2:2:	3:4:	3:4:	O[5]-3:O[5a]-2:O[5a]-2:O[5]-2:	C[5a,6a]-3:B[5,5a]-4:	C[5,6a]-3:B[5,5a]-4:	B[5,5a](O[5]C[5,6a]Ni)(O[5a]C[5a,6a])2(O[5]C[5,6a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5,5a]O[5a]O[5]2)	O[5](C[5,6a]C[5,6a]C[6a])(B[5,5a]O[5a]2O[5])	B[5,5a](O[5]C[5,6a]Ni)(O[5a]C[5a,6a])2(O[5]C[5,6a]){4|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5,5a]O[5a]O[5]2){1|Ni<4>,1|H<1>,4|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(B[5,5a]O[5a]2O[5]){1|Ni<4>,1|H<1>,4|C<3>}	113.9095	0.008	2	113.9095	0.000	2	112.1158	2.302	6	112.1158	2.302	6	111.5159	1.897	11	111.5159	1.897	11
679	537	976	0:SP3_SP2_SP2	B[5,5a]	O[5a]	O[5]	3:3:2:2:	4:3:	4:3:	N[5a,6]-3:C[5,6a]-3:O[5a]-2:O[5]-2:	B[5,5a]-4:C[5a,6a]-3:	B[5,5a]-4:B[5]-3:	B[5,5a](N[5a,6]C[5a,6,6a]C[6])(C[5,6a]C[5,6a]C[6a])(O[5a]C[5a,6a])(O[5]B[5])	O[5a](B[5,5a]C[5,6a]N[5a,6]O[5])(C[5a,6a]C[5a,6,6a]C[6a])	O[5](B[5,5a]C[5,6a]N[5a,6]O[5a])(B[5]C[5,6a]O)	B[5,5a](N[5a,6]C[5a,6,6a]C[6])(C[5,6a]C[5,6a]C[6a])(O[5a]C[5a,6a])(O[5]B[5]){1|O<2>,2|H<1>,5|C<3>}	O[5a](B[5,5a]C[5,6a]N[5a,6]O[5])(C[5a,6a]C[5a,6,6a]C[6a]){1|B<3>,1|H<1>,5|C<3>}	O[5](B[5,5a]C[5,6a]N[5a,6]O[5a])(B[5]C[5,6a]O){5|C<3>}	111.6870	0.000	1	111.6870	0.000	1	111.6870	0.000	1	111.6870	0.000	1	111.5159	1.897	11	111.5159	1.897	11
679	537	976	0:SP3_SP2_SP3	B[5,5a]	O[5a]	O[5]	2:2:2:2:	3:4:	4:4:	O[5a]-2:O[5a]-2:O[5]-2:O[5]-2:	C[5a,6a]-3:B[5,5a]-4:	B[5,5a]-4:P[5]-4:	B[5,5a](O[5a]C[5a,6a])2(O[5]C[5,6])(O[5]P[5])	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5,5a]O[5a]O[5]2)	O[5](B[5,5a]O[5a]2O[5])(P[5]C[5,6]CC)	B[5,5a](O[5a]C[5a,6a])2(O[5]C[5,6])(O[5]P[5]){2|C<4>,4|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5,5a]O[5a]O[5]2){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	O[5](B[5,5a]O[5a]2O[5])(P[5]C[5,6]CC){4|C<3>}	109.8020	0.619	2	109.8020	0.384	2	110.9303	0.979	6	111.6831	2.066	14	111.4768	2.026	20	111.4768	2.026	20
679	537	976	0:SP3_SP2_SP3	B[5,5a]	O[5a]	O[5]	2:2:2:2:	3:4:	4:4:	O[5a]-2:O[5a]-2:O[5]-2:O[5]-2:	C[5a,6a]-3:B[5,5a]-4:	B[5,5a]-4:P[5]-4:	B[5,5a](O[5a]C[5a,6a])2(O[5]C[5])(O[5]P[5])	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5,5a]O[5a]O[5]2)	O[5](B[5,5a]O[5a]2O[5])(P[5]C[5]CC)	B[5,5a](O[5a]C[5a,6a])2(O[5]C[5])(O[5]P[5]){1|N<2>,2|C<3>,2|C<4>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5,5a]O[5a]O[5]2){1|H<1>,1|P<4>,3|C<3>}	O[5](B[5,5a]O[5a]2O[5])(P[5]C[5]CC){1|N<2>,2|C<3>}	111.4945	0.480	4	111.4945	0.231	4	110.9303	0.979	6	111.6831	2.066	14	111.4768	2.026	20	111.4768	2.026	20
679	537	976	0:SP3_SP2_SP3	B[5,5a]	O[5a]	O[5]	2:2:2:2:	3:4:	4:4:	O[5a]-2:O[5a]-2:O[5]-2:O[5]-2:	C[5a,6a]-3:B[5,5a]-4:	C[5,6]-4:B[5,5a]-4:	B[5,5a](O[5a]C[5a,6a])2(O[5]C[5,6])(O[5]P[5])	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5,5a]O[5a]O[5]2)	O[5](C[5,6]C[6,6a]C[6]P[5])(B[5,5a]O[5a]2O[5])	B[5,5a](O[5a]C[5a,6a])2(O[5]C[5,6])(O[5]P[5]){2|C<4>,4|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5,5a]O[5a]O[5]2){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	O[5](C[5,6]C[6,6a]C[6]P[5])(B[5,5a]O[5a]2O[5]){1|O<1>,2|C<4>,5|C<3>}	113.2000	2.230	2	113.2000	4.974	2	112.2532	2.962	6	111.6831	2.066	14	111.4768	2.026	20	111.4768	2.026	20
679	537	976	0:SP3_SP2_SP3	B[5,5a]	O[5a]	O[5]	2:2:2:2:	3:4:	4:4:	O[5a]-2:O[5a]-2:O[5]-2:O[5]-2:	C[5a,6a]-3:B[5,5a]-4:	C[5,6]-4:B[5,5a]-4:	B[5,5a](O[5a]C[5a,6a])2(O[5]C[5,6])2	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5,5a]O[5a]O[5]2)	O[5](C[5,6]C[5,6]C[6]Rh)(B[5,5a]O[5a]2O[5])	B[5,5a](O[5a]C[5a,6a])2(O[5]C[5,6])2{1|Rh<8>,2|C<3>,2|C<4>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5,5a]O[5a]O[5]2){1|H<1>,2|C<3>,2|C<4>}	O[5](C[5,6]C[5,6]C[6]Rh)(B[5,5a]O[5a]2O[5]){1|H<1>,2|C<3>,2|C<4>}	111.7798	1.543	4	111.7798	2.382	4	112.2532	2.962	6	111.6831	2.066	14	111.4768	2.026	20	111.4768	2.026	20
679	537	976	0:SP3_SP2_SP3	B[5,5a]	O[5a]	O[5]	2:2:2:2:	3:4:	4:4:	O[5a]-2:O[5a]-2:O[5]-2:S[5]-2:	C[5a,6a]-3:B[5,5a]-4:	B[5,5a]-4:P[5]-4:	B[5,5a](O[5a]C[5a,6a])2(O[5]P[5])(S[5]C[5])	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5,5a]O[5a]O[5]S[5])	O[5](B[5,5a]O[5a]2S[5])(P[5]C[5]CC)	B[5,5a](O[5a]C[5a,6a])2(O[5]P[5])(S[5]C[5]){1|S<1>,2|C<3>,2|C<4>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5,5a]O[5a]O[5]S[5]){1|H<1>,1|P<4>,3|C<3>}	O[5](B[5,5a]O[5a]2S[5])(P[5]C[5]CC){1|S<1>,2|C<3>}	112.2315	1.095	2	112.2315	1.200	2	112.2315	1.200	2	111.6831	2.066	14	111.4768	2.026	20	111.4768	2.026	20
679	537	976	0:SP3_SP2_SP3	B[5,5a]	O[5a]	O[5]	2:2:3:2:	3:4:	4:4:	O[5a]-2:O[5a]-2:N[5]-3:O[5]-2:	C[5a,6a]-3:B[5,5a]-4:	B[5,5a]-4:P[5]-4:	B[5,5a](O[5a]C[5a,6a])2(N[5]N[5]C)(O[5]P[5])	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5,5a]O[5a]N[5]O[5])	O[5](B[5,5a]O[5a]2N[5])(P[5]N[5]CC)	B[5,5a](O[5a]C[5a,6a])2(N[5]N[5]C)(O[5]P[5]){2|C<3>,2|C<4>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5,5a]O[5a]N[5]O[5]){1|H<1>,1|N<2>,1|P<4>,3|C<3>}	O[5](B[5,5a]O[5a]2N[5])(P[5]N[5]CC){3|C<3>}	111.8340	0.627	4	111.8340	0.394	4	111.8340	0.394	4	111.8340	0.394	4	111.4768	2.026	20	111.4768	2.026	20
679	537	976	0:SP3_SP2_SP3	B[5,5a]	O[5a]	O[5]	3:2:2:2:	4:3:	4:4:	N[5,6]-3:O[5a]-2:O[5a]-2:O[5]-2:	B[5,5a]-4:C[5a,6a]-3:	B[5,5a]-4:P[5]-4:	B[5,5a](N[5,6]N[5,6]C[6])(O[5a]C[5a,6a])2(O[5]P[5])	O[5a](B[5,5a]N[5,6]O[5a]O[5])(C[5a,6a]C[5a,6a]C[6a])	O[5](B[5,5a]N[5,6]O[5a]2)(P[5]N[5,6]CC)	B[5,5a](N[5,6]N[5,6]C[6])(O[5a]C[5a,6a])2(O[5]P[5]){1|B<4>,1|H<1>,1|P<4>,2|C<4>,3|C<3>}	O[5a](B[5,5a]N[5,6]O[5a]O[5])(C[5a,6a]C[5a,6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,1|P<4>,2|C<3>}	O[5](B[5,5a]N[5,6]O[5a]2)(P[5]N[5,6]CC){1|B<4>,1|C<4>,2|C<3>}	109.3180	0.187	2	109.3180	0.035	2	109.3180	0.035	2	109.3180	0.035	2	111.4768	2.026	20	111.4768	2.026	20
679	537	980	0:SP3_SP2_SP3	B[5,5a]	O[5a]	N[4,5]	3:4:2:2:	4:3:	4:4:4:4:	C[5,6a]-3:N[4,5]-4:O[5a]-2:O[5a]-2:	B[5,5a]-4:C[5a,6a]-3:	B[5,5a]-4:C[5]-4:C[4]-4:C[4]-4:	B[5,5a](C[5,6a]C[5,6a]C[6a])(N[4,5]C[4]2C[5])(O[5a]C[5a,6a])2	O[5a](B[5,5a]C[5,6a]N[4,5]O[5a])(C[5a,6a]C[5a,6a]C[6a])	N[4,5](B[5,5a]C[5,6a]O[5a]2)(C[5]C[5,6a]HH)(C[4]C[4]HH)2	B[5,5a](C[5,6a]C[5,6a]C[6a])(N[4,5]C[4]2C[5])(O[5a]C[5a,6a])2{1|C<4>,4|C<3>,7|H<1>}	O[5a](B[5,5a]C[5,6a]N[4,5]O[5a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,3|C<4>,4|C<3>}	N[4,5](B[5,5a]C[5,6a]O[5a]2)(C[5]C[5,6a]HH)(C[4]C[4]HH)2{2|C<4>,4|C<3>}	108.7425	2.001	4	108.7425	4.003	4	108.7425	4.003	4	108.7425	4.003	4	108.7425	4.003	4	108.7425	4.003	4
679	537	992	0:SP3_SP2_SP3	B[5a]	O[5a]	P	2:2:4:1:	3:4:	4:4:4:4:	O[5a]-2:O[5a]-2:P-4:Cl-1:	C[5a,6a]-3:B[5a]-4:	B[5a]-4:C-4:C-4:C-4:	B[5a](O[5a]C[5a,6a])2(PC3)(Cl)	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]ClP)	P(B[5a]O[5a]2Cl)(CC3)3	B[5a](O[5a]C[5a,6a])2(PC3)(Cl){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]ClP){1|H<1>,2|C<3>}	P(B[5a]O[5a]2Cl)(CC3)3	110.9590	0.628	2	110.9590	0.394	2	111.1430	1.875	8	111.3596	2.213	10	111.3596	2.213	10	111.3596	2.213	10
679	537	992	0:SP3_SP2_SP3	B[5a]	O[5a]	P	2:2:4:1:	3:4:	4:4:4:4:	O[5a]-2:O[5a]-2:P-4:Cl-1:	C[5a,6a]-3:B[5a]-4:	B[5a]-4:C-4:C-4:C-4:	B[5a](O[5a]C[5a,6a])2(PC3)(Cl)	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]ClP)	P(B[5a]O[5a]2Cl)(CCHH)3	B[5a](O[5a]C[5a,6a])2(PC3)(Cl){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]ClP){1|H<1>,2|C<3>}	P(B[5a]O[5a]2Cl)(CCHH)3	110.6810	1.400	2	110.6810	1.960	2	111.1430	1.875	8	111.3596	2.213	10	111.3596	2.213	10	111.3596	2.213	10
679	537	992	0:SP3_SP2_SP3	B[5a]	O[5a]	P	2:2:4:1:	3:4:	4:4:4:4:	O[5a]-2:O[5a]-2:P-4:Cl-1:	C[5a,6a]-3:B[5a]-4:	B[5a]-4:C-4:C-4:C-4:	B[5a](O[5a]C[5a,6a])2(PC3)(Cl)	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]ClP)	P(B[5a]O[5a]2Cl)(CH3)3	B[5a](O[5a]C[5a,6a])2(PC3)(Cl){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]ClP){1|H<1>,2|C<3>}	P(B[5a]O[5a]2Cl)(CH3)3	111.4660	1.813	4	111.4660	3.286	4	111.1430	1.875	8	111.3596	2.213	10	111.3596	2.213	10	111.3596	2.213	10
679	537	992	0:SP3_SP2_SP3	B[5a]	O[5a]	P	2:2:4:1:	3:4:	4:4:4:4:	O[5a]-2:O[5a]-2:P-4:Cl-1:	C[5a,6a]-3:B[5a]-4:	B[5a]-4:C[6]-4:C[6]-4:C[6]-4:	B[5a](O[5a]C[5a,6a])2(PC[6]3)(Cl)	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]ClP)	P(B[5a]O[5a]2Cl)(C[6]C[6]2H)3	B[5a](O[5a]C[5a,6a])2(PC[6]3)(Cl){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]ClP){1|H<1>,2|C<3>}	P(B[5a]O[5a]2Cl)(C[6]C[6]2H)3	112.2260	2.217	2	112.2260	4.917	2	112.2260	4.917	2	111.3596	2.213	10	111.3596	2.213	10	111.3596	2.213	10
679	537	998	5:SP3_SP2_SP3	B[5a]	O[5a]	N[5a]	4:2:3:3:	3:4:	3:4:3:1:	N[5a]-4:O[5a]-2:C[6a]-3:C[6a]-3:	C[5a,6a]-3:B[5a]-4:	C[5a,6a]-3:B[5a]-4:C[6a]-3:H-1:	B[5a](N[5a]C[5a,6a]C[6a]H)(O[5a]C[5a,6a])(C[6a]C[6a]2)2	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(B[5a]C[6a]2N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(B[5a]C[6a]2O[5a])(C[6a]C[6a]2)(H)	B[5a](N[5a]C[5a,6a]C[6a]H)(O[5a]C[5a,6a])(C[6a]C[6a]2)2{4|F<1>,8|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(B[5a]C[6a]2N[5a]){1|H<1>,8|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(B[5a]C[6a]2O[5a])(C[6a]C[6a]2)(H){2|C<4>,9|C<3>}	100.8900	0.000	1	100.8900	0.000	1	100.8900	0.000	1	100.8900	0.000	1	99.1579	2.266	3	99.1579	2.266	3
679	537	998	5:SP3_SP2_SP3	B[5a]	O[5a]	N[5a]	4:3:3:2:	4:3:	4:2:1:1:	N[5a]-4:C[6a]-3:C[6a]-3:O[5a]-2:	B[5a]-4:C[5a]-3:	B[5a]-4:N[5a]-2:H-1:H-1:	B[5a](N[5a]N[5a]HH)(C[6a]C[6a]2)2(O[5a]C[5a])	O[5a](B[5a]C[6a]2N[5a])(C[5a]C[6a]N[5a])	N[5a](B[5a]C[6a]2O[5a])(N[5a]C[5a])(H)2	B[5a](N[5a]N[5a]HH)(C[6a]C[6a]2)2(O[5a]C[5a]){4|F<1>,5|C<3>}	O[5a](B[5a]C[6a]2N[5a])(C[5a]C[6a]N[5a]){2|H<1>,6|C<3>}	N[5a](B[5a]C[6a]2O[5a])(N[5a]C[5a])(H)2{5|C<3>}	98.2918	0.177	2	98.2918	0.032	2	98.2918	0.032	2	98.2918	0.032	2	99.1579	2.266	3	99.1579	2.266	3
679	537	999	0:SP3_SP2_SP3	B[5,5a]	O[5a]	N[5,6]	4:3:2:2:	4:3:	4:3:4:4:	N[5,6]-4:C[5]-3:O[5a]-2:O[5a]-2:	B[5,5a]-4:C[5a,6a]-3:	B[5,5a]-4:C[5,5]-3:C[6]-4:C[6]-4:	B[5,5a](N[5,6]C[5,5]C[6]2)(C[5]C[5,5]N[6])(O[5a]C[5a,6a])2	O[5a](B[5,5a]N[5,6]O[5a]C[5])(C[5a,6a]C[5a,6a]C[6a])	N[5,6](B[5,5a]O[5a]2C[5])(C[5,5]C[5,5]C[5])(C[6]C[6]HH)2	B[5,5a](N[5,6]C[5,5]C[6]2)(C[5]C[5,5]N[6])(O[5a]C[5a,6a])2{1|N<4>,3|C<3>,4|C<4>,4|H<1>}	O[5a](B[5,5a]N[5,6]O[5a]C[5])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	N[5,6](B[5,5a]O[5a]2C[5])(C[5,5]C[5,5]C[5])(C[6]C[6]HH)2{1|B<4>,1|C<4>,1|N<4>,2|C<3>,2|N<3>,4|H<1>}	110.2390	0.000	1	110.2390	0.000	1	110.2390	0.000	1	110.2390	0.000	1	110.2390	0.000	1	110.2390	0.000	1
679	542	542	0:SP3_SP2_SP2	B[5a]	N[5]	N[5]	3:3:3:3:	4:3:3:	4:3:3:	N[5a,5a]-3:C[5a]-3:N[5]-3:N[5]-3:	B[5a]-4:C[5]-3:C[5]-3:	B[5a]-4:C[5]-3:C[5]-3:	B[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]N)(N[5]C[5]2)2	N[5](B[5a]N[5a,5a]C[5a]N[5])(C[5]C[5]H)(C[5]N[5]S)	N[5](B[5a]N[5a,5a]C[5a]N[5])(C[5]C[5]H)(C[5]N[5]S)	B[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]N)(N[5]C[5]2)2{2|S<1>,3|C<3>,3|H<1>,3|N<3>}	N[5](B[5a]N[5a,5a]C[5a]N[5])(C[5]C[5]H)(C[5]N[5]S){1|C<4>,1|H<1>,1|N<2>,1|S<2>,4|C<3>}	N[5](B[5a]N[5a,5a]C[5a]N[5])(C[5]C[5]H)(C[5]N[5]S){1|C<4>,1|H<1>,1|N<2>,1|S<2>,4|C<3>}	110.0730	0.000	1	109.8725	0.080	2	109.8725	0.080	2	109.8725	0.080	2	109.8725	0.080	2	109.8725	0.080	2
679	542	542	0:SP3_SP2_SP2	B[5a]	N[5]	N[5]	3:3:3:3:	4:3:3:	4:3:3:	N[5a,5a]-3:C[5a]-3:N[5]-3:N[5]-3:	B[5a]-4:C[5]-3:C[5]-3:	B[5a]-4:C[5]-3:C[5]-3:	B[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]N)(N[5]C[5]2)2	N[5](B[5a]N[5a,5a]C[5a]N[5])(C[5]C[5]H)(C[5]N[5]S)	N[5](B[5a]N[5a,5a]C[5a]N[5])(C[5]C[5]H)(C[5]N[5]S)	B[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]N)(N[5]C[5]2)2{2|S<2>,3|C<3>,3|H<1>,3|N<3>}	N[5](B[5a]N[5a,5a]C[5a]N[5])(C[5]C[5]H)(C[5]N[5]S){1|C<4>,1|H<1>,1|N<3>,1|S<2>,4|C<3>}	N[5](B[5a]N[5a,5a]C[5a]N[5])(C[5]C[5]H)(C[5]N[5]S){1|C<4>,1|H<1>,1|N<3>,1|S<2>,4|C<3>}	109.6720	0.000	1	109.8725	0.080	2	109.8725	0.080	2	109.8725	0.080	2	109.8725	0.080	2	109.8725	0.080	2
679	542	542	5:SP3_SP2_SP2	B[5,5a]	N[5]	N[5]	3:3:2:2:	4:3:4:	4:3:3:	N[5]-3:N[5]-3:O[5a]-2:O[5a]-2:	B[5,5a]-4:C[6a]-3:C[5]-4:	B[5,5a]-4:C[6a]-3:C[5]-3:	B[5,5a](N[5]C[6a]C[5])2(O[5a]C[5a,6a])2	N[5](B[5,5a]O[5a]2N[5])(C[6a]C[6a]2)(C[5]C[5]CH)	N[5](B[5,5a]O[5a]2N[5])(C[6a]C[6a]2)(C[5]C[5]C)	B[5,5a](N[5]C[6a]C[5])2(O[5a]C[5a,6a])2{1|H<1>,2|C<4>,6|C<3>}	N[5](B[5,5a]O[5a]2N[5])(C[6a]C[6a]2)(C[5]C[5]CH){1|C<4>,2|H<1>,5|C<3>}	N[5](B[5,5a]O[5a]2N[5])(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,3|H<1>,5|C<3>}	97.6597	0.200	2	97.6597	0.040	2	97.6597	0.040	2	97.6597	0.040	2	97.6597	0.040	2	97.6597	0.040	2
679	542	542	6:SP3_SP2_SP2	B[5a,6]	N[5,6]	N[5,6]	3:3:2:2:	4:3:4:	4:3:4:	N[5,6]-3:N[5,6]-3:O[5a]-2:O[5a]-2:	B[5a,6]-4:C[5,6]-3:C[5]-4:	B[5a,6]-4:C[5,6]-3:C[5]-4:	B[5a,6](N[5,6]C[5,6]C[5])2(O[5a]C[5a,6a])2	N[5,6](B[5a,6]N[5,6]O[5a]2)(C[5,6]C[6]O[5])(C[5]C[5]CC)	N[5,6](B[5a,6]N[5,6]O[5a]2)(C[5,6]C[6]O[5])(C[5]C[5]CC)	B[5a,6](N[5,6]C[5,6]C[5])2(O[5a]C[5a,6a])2{2|O<2>,3|C<3>,6|C<4>}	N[5,6](B[5a,6]N[5,6]O[5a]2)(C[5,6]C[6]O[5])(C[5]C[5]CC){1|C<4>,3|C<3>,3|H<1>}	N[5,6](B[5a,6]N[5,6]O[5a]2)(C[5,6]C[6]O[5])(C[5]C[5]CC){1|C<4>,3|C<3>,3|H<1>}	105.8040	0.000	1	105.8040	0.000	1	105.8040	0.000	1	105.8040	0.000	1	105.8040	0.000	1	105.8040	0.000	1
679	542	622	6:SP3_SP2_SP3	B[5a,6]	N[5,6]	O[6]	3:2:2:2:	4:3:4:	4:4:	N[5,6]-3:O[5a]-2:O[5a]-2:O[6]-2:	B[5a,6]-4:N[5,6]-3:P[5]-4:	B[5a,6]-4:P[6]-4:	B[5a,6](N[5,6]N[5,6]P[5])(O[5a]C[5a,6a])2(O[6]P[6])	N[5,6](B[5a,6]O[5a]2O[6])(N[5,6]B[5,5a]C[6])(P[5]O[5]CC)	O[6](B[5a,6]N[5,6]O[5a]2)(P[6]C[6]CC)	B[5a,6](N[5,6]N[5,6]P[5])(O[5a]C[5a,6a])2(O[6]P[6]){1|B<4>,1|O<2>,2|C<3>,5|C<4>}	N[5,6](B[5a,6]O[5a]2O[6])(N[5,6]B[5,5a]C[6])(P[5]O[5]CC){1|H<1>,1|P<4>,2|O<2>,3|C<3>}	O[6](B[5a,6]N[5,6]O[5a]2)(P[6]C[6]CC){1|H<1>,1|N<3>,1|P<4>,3|C<3>}	108.1210	0.000	1	108.1210	0.000	1	108.1210	0.000	1	108.1210	0.000	1	108.1210	0.000	1	108.1210	0.000	1
679	542	643	0:SP3_SP2_SP2	B[5,6a]	N[5,6]	C[6a,6a]	3:3:3:2:	4:3:3:	4:3:3:	C[6a,6a]-3:N[5,6]-3:N[5,6a]-3:O-2:	B[5,6a]-4:C[5,6]-3:C[6]-3:	B[5,6a]-4:C[6a,6a]-3:C[6a]-3:	B[5,6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6]C[5,6]C[6])(N[5,6a]N[6a]C[5])(OH)	N[5,6](B[5,6a]C[6a,6a]N[5,6a]O)(C[5,6]C[5]C[6])(C[6]C[6]H)	C[6a,6a](B[5,6a]N[5,6a]N[5,6]O)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	B[5,6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6]C[5,6]C[6])(N[5,6a]N[6a]C[5])(OH){1|O<1>,2|H<1>,5|C<3>}	N[5,6](B[5,6a]C[6a,6a]N[5,6a]O)(C[5,6]C[5]C[6])(C[6]C[6]H){1|N<2>,1|O<1>,2|H<1>,3|C<3>}	C[6a,6a](B[5,6a]N[5,6a]N[5,6]O)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	115.7140	0.000	1	115.7140	0.000	1	115.7140	0.000	1	115.7140	0.000	1	111.4184	6.681	5	109.9702	3.553	21
679	542	643	0:SP3_SP2_SP2	B[5,6a]	N[5,6]	C[6a,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6a,6a]-3:C[6a,6a]-3:C[5,6a]-3:N[5,6]-3:	B[5,6a]-4:C[5,6]-3:C[6]-3:	B[5,6a]-4:C[6a,6a]-3:C[6a]-3:	B[5,6a](C[6a,6a]C[6a,6a]C[6a])2(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])	N[5,6](B[5,6a]C[6a,6a]2C[5,6a])(C[5,6]C[5,6a]C[6])(C[6]C[6]H)	C[6a,6a](B[5,6a]C[6a,6a]C[5,6a]N[5,6])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	B[5,6a](C[6a,6a]C[6a,6a]C[6a])2(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6]){1|N<3>,4|H<1>,8|C<3>}	N[5,6](B[5,6a]C[6a,6a]2C[5,6a])(C[5,6]C[5,6a]C[6])(C[6]C[6]H){2|H<1>,7|C<3>}	C[6a,6a](B[5,6a]C[6a,6a]C[5,6a]N[5,6])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,7|C<3>}	110.2095	0.197	2	110.2095	0.039	2	110.3445	1.219	4	110.3445	1.219	4	111.4184	6.681	5	109.9702	3.553	21
679	542	643	0:SP3_SP2_SP2	B[5,6a]	N[5,6]	C[6a,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6a,6a]-3:C[6a,6a]-3:C[5,6a]-3:N[5,6]-3:	B[5,6a]-4:C[5,6]-3:C[6]-3:	B[5,6a]-4:C[6a,6a]-3:C[6a]-3:	B[5,6a](C[6a,6a]C[6a,6a]C[6a])2(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])	N[5,6](B[5,6a]C[6a,6a]2C[5,6a])(C[5,6]C[5,6a]C[6])(C[6]C[6]H)	C[6a,6a](B[5,6a]C[6a,6a]C[5,6a]N[5,6])(C[6a,6a]C[6a]S[6a])(C[6a]C[6a]H)	B[5,6a](C[6a,6a]C[6a,6a]C[6a])2(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6]){1|S<2>,4|H<1>,8|C<3>}	N[5,6](B[5,6a]C[6a,6a]2C[5,6a])(C[5,6]C[5,6a]C[6])(C[6]C[6]H){2|H<1>,7|C<3>}	C[6a,6a](B[5,6a]C[6a,6a]C[5,6a]N[5,6])(C[6a,6a]C[6a]S[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	110.4795	1.883	2	110.4795	3.546	2	110.3445	1.219	4	110.3445	1.219	4	111.4184	6.681	5	109.9702	3.553	21
679	542	643	0:SP3_SP2_SP2	B[5a]	N[5]	C[6a]	2:2:3:3:	4:3:3:	4:3:3:	O[5a]-2:O[5a]-2:C[6a]-3:N[5]-3:	B[5a]-4:C[5]-3:C[5]-3:	B[5a]-4:C[6a]-3:C[6a]-3:	B[5a](O[5a]C[5a,6a])2(C[6a]C[6a]2)(N[5]C[5]2)	N[5](B[5a]C[6a]O[5a]2)(C[5]C[5]H)(C[5]N[5]H)	C[6a](B[5a]O[5a]2N[5])(C[6a]C[6a]H)2	B[5a](O[5a]C[5a,6a])2(C[6a]C[6a]2)(N[5]C[5]2){1|N<3>,4|H<1>,5|C<3>}	N[5](B[5a]C[6a]O[5a]2)(C[5]C[5]H)(C[5]N[5]H){1|C<4>,1|H<1>,4|C<3>}	C[6a](B[5a]O[5a]2N[5])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	109.6177	0.923	6	109.6177	0.851	6	109.6177	0.851	6	109.6177	0.851	6	109.5177	2.038	16	109.9702	3.553	21
679	542	643	0:SP3_SP2_SP2	B[5a]	N[5]	C[6a]	3:4:3:3:	4:3:3:	4:3:3:	N[5,5a]-3:N[5a]-4:N[5]-3:C[6a]-3:	B[5a]-4:N[5]-3:C[5]-3:	B[5a]-4:C[6a]-3:C[6a]-3:	B[5a](N[5,5a]N[5,5a]C[5])(N[5a]B[5a]CH)(N[5]C[5]N[5])(C[6a]C[6a]2)	N[5](B[5a]N[5,5a]C[6a]N[5a])(N[5]C[5]Co)(C[5]C[5]H)	C[6a](B[5a]N[5,5a]N[5a]N[5])(C[6a]C[6a]H)2	B[5a](N[5,5a]N[5,5a]C[5])(N[5a]B[5a]CH)(N[5]C[5]N[5])(C[6a]C[6a]2){1|Co<4>,1|N<3>,4|H<1>,7|C<3>}	N[5](B[5a]N[5,5a]C[6a]N[5a])(N[5]C[5]Co)(C[5]C[5]H){1|B<4>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](B[5a]N[5,5a]N[5a]N[5])(C[6a]C[6a]H)2{1|B<4>,1|C<4>,2|N<3>,3|C<3>,3|H<1>}	112.5210	0.245	2	112.5210	0.060	2	109.4577	2.913	10	109.4577	2.913	10	109.5177	2.038	16	109.9702	3.553	21
679	542	643	0:SP3_SP2_SP2	B[5a]	N[5]	C[6a]	3:4:3:3:	4:3:3:	4:3:3:	N[5,5a]-3:N[5a]-4:N[5]-3:C[6a]-3:	B[5a]-4:N[5]-3:C[5]-3:	B[5a]-4:C[6a]-3:C[6a]-3:	B[5a](N[5,5a]N[5,5a]C[5])(N[5a]B[5a]LiC)(N[5]C[5]N[5])(C[6a]C[6a]2)	N[5](B[5a]N[5,5a]C[6a]N[5a])(N[5]C[5]Li)(C[5]C[5]H)	C[6a](B[5a]N[5,5a]N[5a]N[5])(C[6a]C[6a]H)2	B[5a](N[5,5a]N[5,5a]C[5])(N[5a]B[5a]LiC)(N[5]C[5]N[5])(C[6a]C[6a]2){1|N<3>,4|H<1>,7|C<3>}	N[5](B[5a]N[5,5a]C[6a]N[5a])(N[5]C[5]Li)(C[5]C[5]H){1|B<4>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](B[5a]N[5,5a]N[5a]N[5])(C[6a]C[6a]H)2{1|Li<4>,1|B<4>,1|C<4>,2|H<1>,2|N<3>,3|C<3>}	108.5180	0.260	4	108.5180	0.068	4	109.4577	2.913	10	109.4577	2.913	10	109.5177	2.038	16	109.9702	3.553	21
679	542	643	0:SP3_SP2_SP2	B[5a]	N[5]	C[6a]	3:4:3:3:	4:3:3:	4:3:3:	N[5,5a]-3:N[5a]-4:N[5]-3:C[6a]-3:	B[5a]-4:N[5]-3:C[5]-3:	B[5a]-4:C[6a]-3:C[6a]-3:	B[5a](N[5,5a]N[5,5a]C[5])(N[5a]B[5a]MgC)(N[5]C[5]N[5])(C[6a]C[6a]2)	N[5](B[5a]N[5,5a]C[6a]N[5a])(N[5]C[5]Mg)(C[5]C[5]H)	C[6a](B[5a]N[5,5a]N[5a]N[5])(C[6a]C[6a]H)2	B[5a](N[5,5a]N[5,5a]C[5])(N[5a]B[5a]MgC)(N[5]C[5]N[5])(C[6a]C[6a]2){1|N<3>,4|H<1>,7|C<3>}	N[5](B[5a]N[5,5a]C[6a]N[5a])(N[5]C[5]Mg)(C[5]C[5]H){1|B<4>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](B[5a]N[5,5a]N[5a]N[5])(C[6a]C[6a]H)2{1|Mg<5>,1|B<4>,1|C<4>,2|H<1>,2|N<3>,3|C<3>}	109.0540	0.863	2	108.8658	0.750	4	109.4577	2.913	10	109.4577	2.913	10	109.5177	2.038	16	109.9702	3.553	21
679	542	643	0:SP3_SP2_SP2	B[5a]	N[5]	C[6a]	3:4:3:3:	4:3:3:	4:3:3:	N[5,5a]-3:N[5a]-4:N[5]-3:C[6a]-3:	B[5a]-4:N[5]-3:C[5]-3:	B[5a]-4:C[6a]-3:C[6a]-3:	B[5a](N[5,5a]N[5,5a]C[5])(N[5a]B[5a]MgC)(N[5]C[5]N[5])(C[6a]C[6a]2)	N[5](B[5a]N[5,5a]C[6a]N[5a])(N[5]C[5]Mg)(C[5]C[5]H)	C[6a](B[5a]N[5,5a]N[5a]N[5])(C[6a]C[6a]H)2	B[5a](N[5,5a]N[5,5a]C[5])(N[5a]B[5a]MgC)(N[5]C[5]N[5])(C[6a]C[6a]2){1|N<3>,4|H<1>,7|C<3>}	N[5](B[5a]N[5,5a]C[6a]N[5a])(N[5]C[5]Mg)(C[5]C[5]H){1|B<4>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](B[5a]N[5,5a]N[5a]N[5])(C[6a]C[6a]H)2{1|Mg<6>,1|B<4>,1|C<4>,2|H<1>,2|N<3>,3|C<3>}	108.6775	1.167	2	108.8658	0.750	4	109.4577	2.913	10	109.4577	2.913	10	109.5177	2.038	16	109.9702	3.553	21
679	542	727	0:SP3_SP2_SP2	B[5a]	N[5]	C[5a]	3:3:3:3:	4:3:3:	4:2:2:	N[5a,5a]-3:C[5a]-3:N[5]-3:N[5]-3:	B[5a]-4:C[5]-3:C[5]-3:	B[5a]-4:S[5a]-2:N-2:	B[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]N)(N[5]C[5]2)2	N[5](B[5a]N[5a,5a]C[5a]N[5])(C[5]C[5]H)(C[5]N[5]S)	C[5a](B[5a]N[5a,5a]N[5]2)(S[5a]C[5a,5a])(NC[6a])	B[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]N)(N[5]C[5]2)2{2|S<1>,3|C<3>,3|H<1>,3|N<3>}	N[5](B[5a]N[5a,5a]C[5a]N[5])(C[5]C[5]H)(C[5]N[5]S){1|C<4>,1|H<1>,1|N<2>,1|S<2>,4|C<3>}	C[5a](B[5a]N[5a,5a]N[5]2)(S[5a]C[5a,5a])(NC[6a]){1|N<3>,5|C<3>}	109.7340	2.295	2	109.7340	5.268	2	109.7340	5.268	2	109.7340	5.268	2	111.3810	43.809	4	111.3810	43.809	4
679	542	727	0:SP3_SP2_SP2	B[5a]	N[5]	C[5a]	3:3:3:3:	4:3:3:	4:2:3:	N[5a,5a]-3:C[5a]-3:N[5]-3:N[5]-3:	B[5a]-4:C[5]-3:C[5]-3:	B[5a]-4:S[5a]-2:N-3:	B[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]N)(N[5]C[5]2)2	N[5](B[5a]N[5a,5a]C[5a]N[5])(C[5]C[5]H)(C[5]N[5]S)	C[5a](B[5a]N[5a,5a]N[5]2)(S[5a]C[5a,5a])(NC[6a]Ru)	B[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]N)(N[5]C[5]2)2{2|S<2>,3|C<3>,3|H<1>,3|N<3>}	N[5](B[5a]N[5a,5a]C[5a]N[5])(C[5]C[5]H)(C[5]N[5]S){1|C<4>,1|H<1>,1|N<3>,1|S<2>,4|C<3>}	C[5a](B[5a]N[5a,5a]N[5]2)(S[5a]C[5a,5a])(NC[6a]Ru){1|N<3>,5|C<3>}	113.0280	10.738	2	113.0280	115.307	2	113.0280	115.307	2	113.0280	115.307	2	111.3810	43.809	4	111.3810	43.809	4
679	542	727	5:SP3_SP2_SP2	B[5,5a]	N[5]	C[5,6a]	3:3:2:2:	4:3:2:	4:3:3:	C[5,6a]-3:N[5]-3:O[5a]-2:O[5a]-2:	B[5,5a]-4:C[6a]-3:N[5]-2:	B[5,5a]-4:C[5,6a]-3:C[6a]-3:	B[5,5a](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5])(O[5a]C[5a,6a])2	N[5](B[5,5a]C[5,6a]O[5a]2)(C[6a]C[6a]2)(N[5]C[5,6a])	C[5,6a](B[5,5a]O[5a]2N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	B[5,5a](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5])(O[5a]C[5a,6a])2{1|H<1>,6|C<3>}	N[5](B[5,5a]C[5,6a]O[5a]2)(C[6a]C[6a]2)(N[5]C[5,6a]){2|H<1>,6|C<3>}	C[5,6a](B[5,5a]O[5a]2N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|H<1>,4|C<3>}	93.8629	0.327	2	93.8629	0.107	2	93.8629	0.107	2	93.8629	0.107	2	93.8629	0.107	2	95.2782	2.922	4
679	542	727	5:SP3_SP2_SP2	B[5,6a]	N[5,6]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6a,6a]-3:C[6a,6a]-3:C[5,6a]-3:N[5,6]-3:	B[5,6a]-4:C[5,6]-3:C[6]-3:	B[5,6a]-4:C[5,6a]-3:C[6a]-3:	B[5,6a](C[6a,6a]C[6a,6a]C[6a])2(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])	N[5,6](B[5,6a]C[6a,6a]2C[5,6a])(C[5,6]C[5,6a]C[6])(C[6]C[6]H)	C[5,6a](B[5,6a]C[6a,6a]2N[5,6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	B[5,6a](C[6a,6a]C[6a,6a]C[6a])2(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6]){1|N<3>,4|H<1>,8|C<3>}	N[5,6](B[5,6a]C[6a,6a]2C[5,6a])(C[5,6]C[5,6a]C[6])(C[6]C[6]H){2|H<1>,7|C<3>}	C[5,6a](B[5,6a]C[6a,6a]2N[5,6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	96.1247	0.000	1	96.6935	0.647	2	96.6935	0.647	2	96.6935	0.647	2	96.6935	0.647	2	95.2782	2.922	4
679	542	727	5:SP3_SP2_SP2	B[5,6a]	N[5,6]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6a,6a]-3:C[6a,6a]-3:C[5,6a]-3:N[5,6]-3:	B[5,6a]-4:C[5,6]-3:C[6]-3:	B[5,6a]-4:C[5,6a]-3:C[6a]-3:	B[5,6a](C[6a,6a]C[6a,6a]C[6a])2(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])	N[5,6](B[5,6a]C[6a,6a]2C[5,6a])(C[5,6]C[5,6a]C[6])(C[6]C[6]H)	C[5,6a](B[5,6a]C[6a,6a]2N[5,6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	B[5,6a](C[6a,6a]C[6a,6a]C[6a])2(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6]){1|S<2>,4|H<1>,8|C<3>}	N[5,6](B[5,6a]C[6a,6a]2C[5,6a])(C[5,6]C[5,6a]C[6])(C[6]C[6]H){2|H<1>,7|C<3>}	C[5,6a](B[5,6a]C[6a,6a]2N[5,6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	97.2622	0.000	1	96.6935	0.647	2	96.6935	0.647	2	96.6935	0.647	2	96.6935	0.647	2	95.2782	2.922	4
679	542	813	0:SP3_SP2_SP2	B[5a]	N[5]	N[5,5a]	3:4:3:3:	4:3:3:	4:3:3:	N[5,5a]-3:N[5a]-4:N[5]-3:C[6a]-3:	B[5a]-4:N[5]-3:C[5]-3:	B[5a]-4:N[5,5a]-3:C[5]-3:	B[5a](N[5,5a]N[5,5a]C[5])(N[5a]B[5a]CH)(N[5]C[5]N[5])(C[6a]C[6a]2)	N[5](B[5a]N[5,5a]C[6a]N[5a])(N[5]C[5]Co)(C[5]C[5]H)	N[5,5a](B[5a]C[6a]N[5a]N[5])(N[5,5a]B[5a]C[5])(C[5]C[5]H)	B[5a](N[5,5a]N[5,5a]C[5])(N[5a]B[5a]CH)(N[5]C[5]N[5])(C[6a]C[6a]2){1|Co<4>,1|N<3>,4|H<1>,7|C<3>}	N[5](B[5a]N[5,5a]C[6a]N[5a])(N[5]C[5]Co)(C[5]C[5]H){1|B<4>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	N[5,5a](B[5a]C[6a]N[5a]N[5])(N[5,5a]B[5a]C[5])(C[5]C[5]H){1|C<4>,2|N<3>,3|H<1>,4|C<3>}	107.2245	1.092	2	107.2245	1.194	2	107.3156	1.759	10	107.3156	1.759	10	107.3156	1.759	10	108.4161	5.348	14
679	542	813	0:SP3_SP2_SP2	B[5a]	N[5]	N[5,5a]	3:4:3:3:	4:3:3:	4:3:3:	N[5,5a]-3:N[5a]-4:N[5]-3:C[6a]-3:	B[5a]-4:N[5]-3:C[5]-3:	B[5a]-4:N[5,5a]-3:C[5]-3:	B[5a](N[5,5a]N[5,5a]C[5])(N[5a]B[5a]LiC)(N[5]C[5]N[5])(C[6a]C[6a]2)	N[5](B[5a]N[5,5a]C[6a]N[5a])(N[5]C[5]Li)(C[5]C[5]H)	N[5,5a](B[5a]C[6a]N[5a]N[5])(N[5,5a]B[5a]C[5])(C[5]C[5]H)	B[5a](N[5,5a]N[5,5a]C[5])(N[5a]B[5a]LiC)(N[5]C[5]N[5])(C[6a]C[6a]2){1|N<3>,4|H<1>,7|C<3>}	N[5](B[5a]N[5,5a]C[6a]N[5a])(N[5]C[5]Li)(C[5]C[5]H){1|B<4>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[5,5a](B[5a]C[6a]N[5a]N[5])(N[5,5a]B[5a]C[5])(C[5]C[5]H){1|Li<4>,1|C<4>,2|H<1>,2|N<3>,4|C<3>}	106.3375	0.578	4	106.3375	0.334	4	107.3156	1.759	10	107.3156	1.759	10	107.3156	1.759	10	108.4161	5.348	14
679	542	813	0:SP3_SP2_SP2	B[5a]	N[5]	N[5,5a]	3:4:3:3:	4:3:3:	4:3:3:	N[5,5a]-3:N[5a]-4:N[5]-3:C[6a]-3:	B[5a]-4:N[5]-3:C[5]-3:	B[5a]-4:N[5,5a]-3:C[5]-3:	B[5a](N[5,5a]N[5,5a]C[5])(N[5a]B[5a]MgC)(N[5]C[5]N[5])(C[6a]C[6a]2)	N[5](B[5a]N[5,5a]C[6a]N[5a])(N[5]C[5]Mg)(C[5]C[5]H)	N[5,5a](B[5a]C[6a]N[5a]N[5])(N[5,5a]B[5a]C[5])(C[5]C[5]H)	B[5a](N[5,5a]N[5,5a]C[5])(N[5a]B[5a]MgC)(N[5]C[5]N[5])(C[6a]C[6a]2){1|N<3>,4|H<1>,7|C<3>}	N[5](B[5a]N[5,5a]C[6a]N[5a])(N[5]C[5]Mg)(C[5]C[5]H){1|B<4>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[5,5a](B[5a]C[6a]N[5a]N[5])(N[5,5a]B[5a]C[5])(C[5]C[5]H){1|Mg<5>,1|C<4>,2|H<1>,2|N<3>,4|C<3>}	107.1605	0.214	2	108.3392	1.868	4	107.3156	1.759	10	107.3156	1.759	10	107.3156	1.759	10	108.4161	5.348	14
679	542	813	0:SP3_SP2_SP2	B[5a]	N[5]	N[5,5a]	3:4:3:3:	4:3:3:	4:3:3:	N[5,5a]-3:N[5a]-4:N[5]-3:C[6a]-3:	B[5a]-4:N[5]-3:C[5]-3:	B[5a]-4:N[5,5a]-3:C[5]-3:	B[5a](N[5,5a]N[5,5a]C[5])(N[5a]B[5a]MgC)(N[5]C[5]N[5])(C[6a]C[6a]2)	N[5](B[5a]N[5,5a]C[6a]N[5a])(N[5]C[5]Mg)(C[5]C[5]H)	N[5,5a](B[5a]C[6a]N[5a]N[5])(N[5,5a]B[5a]C[5])(C[5]C[5]H)	B[5a](N[5,5a]N[5,5a]C[5])(N[5a]B[5a]MgC)(N[5]C[5]N[5])(C[6a]C[6a]2){1|N<3>,4|H<1>,7|C<3>}	N[5](B[5a]N[5,5a]C[6a]N[5a])(N[5]C[5]Mg)(C[5]C[5]H){1|B<4>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[5,5a](B[5a]C[6a]N[5a]N[5])(N[5,5a]B[5a]C[5])(C[5]C[5]H){1|Mg<6>,1|C<4>,2|H<1>,2|N<3>,4|C<3>}	109.5180	0.021	2	108.3392	1.868	4	107.3156	1.759	10	107.3156	1.759	10	107.3156	1.759	10	108.4161	5.348	14
679	542	813	0:SP3_SP2_SP2	B[5a]	N[5]	N[5a,5a]	3:3:3:3:	4:3:3:	3:4:3:	N[5a,5a]-3:C[5a]-3:N[5]-3:N[5]-3:	B[5a]-4:C[5]-3:C[5]-3:	C[5a,5a]-3:B[5a]-4:C[5a]-3:	B[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]N)(N[5]C[5]2)2	N[5](B[5a]N[5a,5a]C[5a]N[5])(C[5]C[5]H)(C[5]N[5]S)	N[5a,5a](C[5a,5a]N[5a]S[5a])(B[5a]C[5a]N[5]2)(C[5a]C[5a]H)	B[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]N)(N[5]C[5]2)2{2|S<1>,3|C<3>,3|H<1>,3|N<3>}	N[5](B[5a]N[5a,5a]C[5a]N[5])(C[5]C[5]H)(C[5]N[5]S){1|C<4>,1|H<1>,1|N<2>,1|S<2>,4|C<3>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(B[5a]C[5a]N[5]2)(C[5a]C[5a]H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	112.8420	0.263	2	111.1672	3.766	4	111.1672	3.766	4	111.1672	3.766	4	111.1672	3.766	4	108.4161	5.348	14
679	542	813	0:SP3_SP2_SP2	B[5a]	N[5]	N[5a,5a]	3:3:3:3:	4:3:3:	3:4:3:	N[5a,5a]-3:C[5a]-3:N[5]-3:N[5]-3:	B[5a]-4:C[5]-3:C[5]-3:	C[5a,5a]-3:B[5a]-4:C[5a]-3:	B[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]N)(N[5]C[5]2)2	N[5](B[5a]N[5a,5a]C[5a]N[5])(C[5]C[5]H)(C[5]N[5]S)	N[5a,5a](C[5a,5a]N[5a]S[5a])(B[5a]C[5a]N[5]2)(C[5a]C[5a]H)	B[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]N)(N[5]C[5]2)2{2|S<2>,3|C<3>,3|H<1>,3|N<3>}	N[5](B[5a]N[5a,5a]C[5a]N[5])(C[5]C[5]H)(C[5]N[5]S){1|C<4>,1|H<1>,1|N<3>,1|S<2>,4|C<3>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(B[5a]C[5a]N[5]2)(C[5a]C[5a]H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	109.4925	0.103	2	111.1672	3.766	4	111.1672	3.766	4	111.1672	3.766	4	111.1672	3.766	4	108.4161	5.348	14
679	542	813	5:SP3_SP2_SP2	B[5,6a]	N[5,6]	N[5,6a]	3:3:3:2:	4:3:3:	4:3:2:	C[6a,6a]-3:N[5,6]-3:N[5,6a]-3:O-2:	B[5,6a]-4:C[5,6]-3:C[6]-3:	B[5,6a]-4:C[5]-3:N[6a]-2:	B[5,6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6]C[5,6]C[6])(N[5,6a]N[6a]C[5])(OH)	N[5,6](B[5,6a]C[6a,6a]N[5,6a]O)(C[5,6]C[5]C[6])(C[6]C[6]H)	N[5,6a](B[5,6a]C[6a,6a]N[5,6]O)(C[5]C[5,6]O)(N[6a]C[6a])	B[5,6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6]C[5,6]C[6])(N[5,6a]N[6a]C[5])(OH){1|O<1>,2|H<1>,5|C<3>}	N[5,6](B[5,6a]C[6a,6a]N[5,6a]O)(C[5,6]C[5]C[6])(C[6]C[6]H){1|N<2>,1|O<1>,2|H<1>,3|C<3>}	N[5,6a](B[5,6a]C[6a,6a]N[5,6]O)(C[5]C[5,6]O)(N[6a]C[6a]){1|H<1>,4|C<3>}	95.5030	0.000	1	95.5030	0.000	1	95.5030	0.000	1	95.5030	0.000	1	95.5030	0.000	1	95.5030	0.000	1
679	542	893	0:SP3_SP2_SP3	B[5,6a]	N[5,6]	O	3:3:3:2:	4:3:3:	4:1:	C[6a,6a]-3:N[5,6]-3:N[5,6a]-3:O-2:	B[5,6a]-4:C[5,6]-3:C[6]-3:	B[5,6a]-4:H-1:	B[5,6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6]C[5,6]C[6])(N[5,6a]N[6a]C[5])(OH)	N[5,6](B[5,6a]C[6a,6a]N[5,6a]O)(C[5,6]C[5]C[6])(C[6]C[6]H)	O(B[5,6a]C[6a,6a]N[5,6a]N[5,6])(H)	B[5,6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6]C[5,6]C[6])(N[5,6a]N[6a]C[5])(OH){1|O<1>,2|H<1>,5|C<3>}	N[5,6](B[5,6a]C[6a,6a]N[5,6a]O)(C[5,6]C[5]C[6])(C[6]C[6]H){1|N<2>,1|O<1>,2|H<1>,3|C<3>}	O(B[5,6a]C[6a,6a]N[5,6a]N[5,6])(H)	108.9400	0.000	1	108.9400	0.000	1	108.9400	0.000	1	108.9400	0.000	1	108.9400	0.000	1	108.9400	0.000	1
679	542	976	5:SP3_SP2_SP3	B[5,5a]	N[5]	O[5]	2:2:3:2:	4:2:3:	4:4:	O[5a]-2:O[5a]-2:N[5]-3:O[5]-2:	B[5,5a]-4:N[5]-2:C-3:	B[5,5a]-4:P[5]-4:	B[5,5a](O[5a]C[5a,6a])2(N[5]N[5]C)(O[5]P[5])	N[5](B[5,5a]O[5a]2O[5])(N[5]P[5])(CC[6a]2)	O[5](B[5,5a]O[5a]2N[5])(P[5]N[5]CC)	B[5,5a](O[5a]C[5a,6a])2(N[5]N[5]C)(O[5]P[5]){2|C<3>,2|C<4>}	N[5](B[5,5a]O[5a]2O[5])(N[5]P[5])(CC[6a]2){2|C<3>,2|C<4>}	O[5](B[5,5a]O[5a]2N[5])(P[5]N[5]CC){3|C<3>}	101.2810	0.123	2	101.2810	0.015	2	101.2810	0.015	2	101.2810	0.015	2	101.2810	0.015	2	101.2810	0.015	2
679	542	976	5:SP3_SP3_SP3	B[5,5a]	N[5,6]	O[5]	3:2:2:2:	4:3:4:	4:4:	N[5,6]-3:O[5a]-2:O[5a]-2:O[5]-2:	B[5,5a]-4:N[5,6]-3:C[6]-4:	B[5,5a]-4:P[5]-4:	B[5,5a](N[5,6]N[5,6]C[6])(O[5a]C[5a,6a])2(O[5]P[5])	N[5,6](B[5,5a]O[5a]2O[5])(N[5,6]B[5a,6]P[5])(C[6]P[6]CH)	O[5](B[5,5a]N[5,6]O[5a]2)(P[5]N[5,6]CC)	B[5,5a](N[5,6]N[5,6]C[6])(O[5a]C[5a,6a])2(O[5]P[5]){1|B<4>,1|H<1>,1|P<4>,2|C<4>,3|C<3>}	N[5,6](B[5,5a]O[5a]2O[5])(N[5,6]B[5a,6]P[5])(C[6]P[6]CH){2|C<3>,3|O<2>,4|C<4>}	O[5](B[5,5a]N[5,6]O[5a]2)(P[5]N[5,6]CC){1|B<4>,1|C<4>,2|C<3>}	105.3440	0.000	1	105.3440	0.000	1	105.3440	0.000	1	105.3440	0.000	1	105.3440	0.000	1	105.3440	0.000	1
679	542	998	0:SP3_SP2_SP3	B[5a]	N[5]	N[5a]	3:4:3:3:	4:3:3:	4:4:4:1:	N[5,5a]-3:N[5a]-4:N[5]-3:C[6a]-3:	B[5a]-4:N[5]-3:C[5]-3:	B[5a]-4:B[5a]-4:C-4:H-1:	B[5a](N[5,5a]N[5,5a]C[5])(N[5a]B[5a]CH)(N[5]C[5]N[5])(C[6a]C[6a]2)	N[5](B[5a]N[5,5a]C[6a]N[5a])(N[5]C[5]Co)(C[5]C[5]H)	N[5a](B[5a]N[5,5a]C[6a]N[5])2(CH3)(H)	B[5a](N[5,5a]N[5,5a]C[5])(N[5a]B[5a]CH)(N[5]C[5]N[5])(C[6a]C[6a]2){1|Co<4>,1|N<3>,4|H<1>,7|C<3>}	N[5](B[5a]N[5,5a]C[6a]N[5a])(N[5]C[5]Co)(C[5]C[5]H){1|B<4>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	N[5a](B[5a]N[5,5a]C[6a]N[5])2(CH3)(H){2|N<3>,8|C<3>}	111.3520	0.578	2	111.3520	0.335	2	111.3520	0.335	2	111.3520	0.335	2	111.3520	0.335	2	111.3520	0.335	2
679	622	622	6:SP3_SP2_SP2	B[5a,6]	O[6]	O[6]	2:2:2:2:	4:3:	4:3:	O[5a]-2:O[5a]-2:O[6]-2:O[6]-2:	B[5a,6]-4:C[6]-3:	B[5a,6]-4:C[6]-3:	B[5a,6](O[5a]C[5a,6a])2(O[6]C[6])2	O[6](B[5a,6]O[5a]2O[6])(C[6]C[5a]C[6])	O[6](B[5a,6]O[5a]2O[6])(C[6]C[5a]C[6])	B[5a,6](O[5a]C[5a,6a])2(O[6]C[6])2{5|C<3>}	O[6](B[5a,6]O[5a]2O[6])(C[6]C[5a]C[6]){1|H<1>,1|N<3>,4|C<3>}	O[6](B[5a,6]O[5a]2O[6])(C[6]C[5a]C[6]){1|H<1>,1|N<3>,4|C<3>}	111.1596	0.815	11	111.1596	0.664	11	111.0250	0.821	12	111.0250	0.821	12	111.0250	0.821	12	111.0250	0.821	12
679	622	622	6:SP3_SP2_SP2	B[5a,6]	O[6]	O[6]	2:2:2:2:	4:3:	4:3:	O[5a]-2:O[5a]-2:O[6]-2:O[6]-2:	B[5a,6]-4:C[6]-3:	B[5a,6]-4:C[6]-3:	B[5a,6](O[5a]C[5a,6a])2(O[6]C[6])2	O[6](B[5a,6]O[5a]2O[6])(C[6]C[6a]C[6])	O[6](B[5a,6]O[5a]2O[6])(C[6]C[6a]C[6])	B[5a,6](O[5a]C[5a,6a])2(O[6]C[6])2{5|C<3>}	O[6](B[5a,6]O[5a]2O[6])(C[6]C[6a]C[6]){1|H<1>,5|C<3>}	O[6](B[5a,6]O[5a]2O[6])(C[6]C[6a]C[6]){1|H<1>,5|C<3>}	109.5440	0.000	1	109.5440	0.000	1	111.0250	0.821	12	111.0250	0.821	12	111.0250	0.821	12	111.0250	0.821	12
679	622	622	6:SP3_SP2_SP3	B[5a,6]	O[6]	O[6]	2:2:2:2:	4:4:	4:2:	O[5a]-2:O[5a]-2:O[6]-2:O[6]-2:	B[5a,6]-4:P[6]-4:	B[5a,6]-4:N[6]-2:	B[5a,6](O[5a]C[5a,6a])2(O[6]N[6])(O[6]P[6])	O[6](B[5a,6]O[5a]2O[6])(P[6]C[6]CC)	O[6](B[5a,6]O[5a]2O[6])(N[6]C[6])	B[5a,6](O[5a]C[5a,6a])2(O[6]N[6])(O[6]P[6]){2|C<4>,3|C<3>}	O[6](B[5a,6]O[5a]2O[6])(P[6]C[6]CC){1|N<2>,3|C<3>}	O[6](B[5a,6]O[5a]2O[6])(N[6]C[6]){1|P<4>,3|C<3>}	108.0110	0.000	1	108.0110	0.000	1	108.0110	0.000	1	108.0110	0.000	1	108.0110	0.000	1	108.0110	0.000	1
679	622	643	0:SP3_SP2_SP2	B[5a,6]	O[6]	C[6a]	3:2:3:2:	4:3:	4:3:3:	N[5a,6]-3:O[5a]-2:C[6a]-3:O[6]-2:	B[5a,6]-4:C[6,6a]-3:	B[5a,6]-4:C[6a]-3:C[6a]-3:	B[5a,6](N[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)(O[6]C[6,6a])	O[6](B[5a,6]N[5a,6]C[6a]O[5a])(C[6,6a]C[6,6a]C[6a])	C[6a](B[5a,6]N[5a,6]O[5a]O[6])(C[6a]C[6a]H)2	B[5a,6](N[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)(O[6]C[6,6a]){3|H<1>,6|C<3>}	O[6](B[5a,6]N[5a,6]C[6a]O[5a])(C[6,6a]C[6,6a]C[6a]){1|H<1>,7|C<3>}	C[6a](B[5a,6]N[5a,6]O[5a]O[6])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	112.4030	0.000	1	112.4680	0.008	2	112.4680	0.008	2	112.4680	0.008	2	112.4680	0.008	2	112.4680	0.008	2
679	622	643	0:SP3_SP2_SP2	B[5a,6]	O[6]	C[6a]	3:2:3:2:	4:3:	4:3:3:	N[5a,6]-3:O[5a]-2:C[6a]-3:O[6]-2:	B[5a,6]-4:C[6,6a]-3:	B[5a,6]-4:C[6a]-3:C[6a]-3:	B[5a,6](N[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)(O[6]C[6,6a])	O[6](B[5a,6]N[5a,6]C[6a]O[5a])(C[6,6a]C[6,6a]C[6a])	C[6a](B[5a,6]N[5a,6]O[5a]O[6])(C[6a]C[6a]H)2	B[5a,6](N[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)(O[6]C[6,6a]){3|H<1>,6|C<3>}	O[6](B[5a,6]N[5a,6]C[6a]O[5a])(C[6,6a]C[6,6a]C[6a]){1|O<2>,7|C<3>}	C[6a](B[5a,6]N[5a,6]O[5a]O[6])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	112.5330	0.000	1	112.4680	0.008	2	112.4680	0.008	2	112.4680	0.008	2	112.4680	0.008	2	112.4680	0.008	2
679	622	643	6:SP3_SP2_SP3	B[5a,6]	O[6]	C[6,6a]	3:2:2:2:	4:3:	4:3:3:	C[6,6a]-3:O[5a]-2:O[5a]-2:O[6]-2:	B[5a,6]-4:N[6]-3:	B[5a,6]-4:C[6,6a]-3:C[6a]-3:	B[5a,6](C[6,6a]C[6,6a]C[6a])(O[5a]C[5a,6a])2(O[6]N[6])	O[6](B[5a,6]C[6,6a]O[5a]2)(N[6]C[6]C)	C[6,6a](B[5a,6]O[5a]2O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	B[5a,6](C[6,6a]C[6,6a]C[6a])(O[5a]C[5a,6a])2(O[6]N[6]){1|C<4>,1|H<1>,5|C<3>}	O[6](B[5a,6]C[6,6a]O[5a]2)(N[6]C[6]C){1|H<1>,4|C<3>}	C[6,6a](B[5a,6]O[5a]2O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	107.1270	0.105	2	107.1270	0.011	2	107.1270	0.011	2	107.1270	0.011	2	109.0697	11.327	3	109.0697	11.327	3
679	622	643	6:SP3_SP2_SP3	B[5a,6]	O[6]	C[6,6a]	3:2:2:2:	4:4:	4:3:3:	C[6,6a]-3:O[5a]-2:O[5a]-2:O[6]-2:	B[5a,6]-4:C[6]-4:	B[5a,6]-4:C[6,6a]-3:C[6a]-3:	B[5a,6](C[6,6a]C[6,6a]C[6a])(O[5a]C[5a,6a])2(O[6]C[6])	O[6](B[5a,6]C[6,6a]O[5a]2)(C[6]P[6]HH)	C[6,6a](B[5a,6]O[5a]2O[6])(C[6,6a]C[6a]P[6])(C[6a]C[6a]H)	B[5a,6](C[6,6a]C[6,6a]C[6a])(O[5a]C[5a,6a])2(O[6]C[6]){1|P<4>,3|H<1>,4|C<3>}	O[6](B[5a,6]C[6,6a]O[5a]2)(C[6]P[6]HH){6|C<3>}	C[6,6a](B[5a,6]O[5a]2O[6])(C[6,6a]C[6a]P[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	112.9550	0.000	1	112.9550	0.000	1	112.9550	0.000	1	112.9550	0.000	1	109.0697	11.327	3	109.0697	11.327	3
679	622	813	6:SP3_SP2_SP2	B[5a,6]	O[6]	N[5a,6]	3:2:2:1:	4:3:	3:4:3:	N[5a,6]-3:O[5a]-2:O[6]-2:F-1:	B[5a,6]-4:C[6,6a]-3:	C[5a,6a]-3:B[5a,6]-4:C[6]-3:	B[5a,6](N[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(O[6]C[6,6a])(F)	O[6](B[5a,6]N[5a,6]O[5a]F)(C[6,6a]C[6,6a]C[6a])	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]O[5a]O[6]F)(C[6]C[6,6a]H)	B[5a,6](N[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(O[6]C[6,6a])(F){1|H<1>,4|C<3>}	O[6](B[5a,6]N[5a,6]O[5a]F)(C[6,6a]C[6,6a]C[6a]){1|H<1>,5|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]O[5a]O[6]F)(C[6]C[6,6a]H){1|H<1>,4|C<3>}	109.5220	0.078	2	109.5220	0.006	2	109.5220	0.006	2	109.5220	0.006	2	108.2320	2.293	4	108.2320	2.293	4
679	622	813	6:SP3_SP2_SP2	B[5a,6]	O[6]	N[5a,6]	3:2:3:2:	4:3:	4:3:3:	N[5a,6]-3:O[5a]-2:C[6a]-3:O[6]-2:	B[5a,6]-4:C[6,6a]-3:	B[5a,6]-4:C[5a,6a]-3:C[6]-3:	B[5a,6](N[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)(O[6]C[6,6a])	O[6](B[5a,6]N[5a,6]C[6a]O[5a])(C[6,6a]C[6,6a]C[6a])	N[5a,6](B[5a,6]C[6a]O[5a]O[6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]H)	B[5a,6](N[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)(O[6]C[6,6a]){3|H<1>,6|C<3>}	O[6](B[5a,6]N[5a,6]C[6a]O[5a])(C[6,6a]C[6,6a]C[6a]){1|H<1>,7|C<3>}	N[5a,6](B[5a,6]C[6a]O[5a]O[6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]H){1|H<1>,6|C<3>}	107.2710	0.000	1	106.9420	0.216	2	106.9420	0.216	2	106.9420	0.216	2	108.2320	2.293	4	108.2320	2.293	4
679	622	813	6:SP3_SP2_SP2	B[5a,6]	O[6]	N[5a,6]	3:2:3:2:	4:3:	4:3:3:	N[5a,6]-3:O[5a]-2:C[6a]-3:O[6]-2:	B[5a,6]-4:C[6,6a]-3:	B[5a,6]-4:C[5a,6a]-3:C[6]-3:	B[5a,6](N[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)(O[6]C[6,6a])	O[6](B[5a,6]N[5a,6]C[6a]O[5a])(C[6,6a]C[6,6a]C[6a])	N[5a,6](B[5a,6]C[6a]O[5a]O[6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]H)	B[5a,6](N[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)(O[6]C[6,6a]){3|H<1>,6|C<3>}	O[6](B[5a,6]N[5a,6]C[6a]O[5a])(C[6,6a]C[6,6a]C[6a]){1|O<2>,7|C<3>}	N[5a,6](B[5a,6]C[6a]O[5a]O[6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]H){1|H<1>,6|C<3>}	106.6130	0.000	1	106.9420	0.216	2	106.9420	0.216	2	106.9420	0.216	2	108.2320	2.293	4	108.2320	2.293	4
679	622	830	0:SP3_SP-NON_SP2	B[5a,6]	O[6]	F	3:2:2:1:	4:3:	4:	N[5a,6]-3:O[5a]-2:O[6]-2:F-1:	B[5a,6]-4:C[6,6a]-3:	B[5a,6]-4:	B[5a,6](N[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(O[6]C[6,6a])(F)	O[6](B[5a,6]N[5a,6]O[5a]F)(C[6,6a]C[6,6a]C[6a])	F(B[5a,6]N[5a,6]O[5a]O[6])	B[5a,6](N[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(O[6]C[6,6a])(F){1|H<1>,4|C<3>}	O[6](B[5a,6]N[5a,6]O[5a]F)(C[6,6a]C[6,6a]C[6a]){1|H<1>,5|C<3>}	F(B[5a,6]N[5a,6]O[5a]O[6])	110.2115	0.438	2	110.2115	0.192	2	110.2115	0.192	2	110.2115	0.192	2	110.2115	0.192	2	110.2115	0.192	2
679	622	849	6:SP3_SP3_SP3	B[5a,6]	O[6]	P[6]	2:2:4:2:	4:4:	4:2:4:4:	O[5a]-2:O[5a]-2:P[6]-4:O[6]-2:	B[5a,6]-4:P[6]-4:	B[5a,6]-4:O[6]-2:C-4:C-4:	B[5a,6](O[5a]C[5a,6a])2(P[6]O[6]CC)(O[6]P[6])	O[6](B[5a,6]O[5a]2P[6])(P[6]B[5a,6]CC)	P[6](B[5a,6]O[5a]2O[6])(O[6]B[5a,6])(CC3)2	B[5a,6](O[5a]C[5a,6a])2(P[6]O[6]CC)(O[6]P[6]){1|B<4>,2|C<3>,2|C<4>}	O[6](B[5a,6]O[5a]2P[6])(P[6]B[5a,6]CC){2|C<3>,2|C<4>,3|O<2>}	P[6](B[5a,6]O[5a]2O[6])(O[6]B[5a,6])(CC3)2{1|P<4>,2|C<3>,2|O<2>}	106.5890	0.000	1	106.5890	0.000	1	106.5890	0.000	1	106.5890	0.000	1	106.5890	0.000	1	106.5890	0.000	1
679	622	856	6:SP3_SP2_SP2	B[5a,6]	O[6]	N[6,6]	3:2:2:2:	4:3:	4:3:3:	N[6,6]-3:O[5a]-2:O[5a]-2:O[6]-2:	B[5a,6]-4:C[6]-3:	B[5a,6]-4:C[6,6]-3:C[6]-3:	B[5a,6](N[6,6]C[6,6]C[6])(O[5a]C[5a,6a])2(O[6]C[6])	O[6](B[5a,6]N[6,6]O[5a]2)(C[6]C[6a]C[6])	N[6,6](B[5a,6]O[5a]2O[6])(C[6,6]C[6]2)(C[6]C[6]H)	B[5a,6](N[6,6]C[6,6]C[6])(O[5a]C[5a,6a])2(O[6]C[6]){1|H<1>,6|C<3>}	O[6](B[5a,6]N[6,6]O[5a]2)(C[6]C[6a]C[6]){7|C<3>}	N[6,6](B[5a,6]O[5a]2O[6])(C[6,6]C[6]2)(C[6]C[6]H){2|H<1>,5|C<3>}	108.8080	0.265	3	108.8080	0.070	3	108.8080	0.070	3	108.8080	0.070	3	108.8080	0.070	3	108.8715	0.063	4
679	622	856	6:SP3_SP2_SP2	B[5a,6]	O[6]	N[6]	3:2:2:2:	3:4:	4:3:3:	N[6]-3:O[5a]-2:O[5a]-2:O[6]-2:	C[6,6a]-3:B[5a,6]-4:	B[5a,6]-4:C[6]-3:C[6a]-3:	B[5a,6](N[6]C[6a]C[6])(O[5a]C[5a,6a])2(O[6]C[6,6a])	O[6](C[6,6a]C[6,6a]C[6a])(B[5a,6]O[5a]2N[6])	N[6](B[5a,6]O[5a]2O[6])(C[6]C[6,6a]H)(C[6a]C[6a]2)	B[5a,6](N[6]C[6a]C[6])(O[5a]C[5a,6a])2(O[6]C[6,6a]){1|H<1>,6|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(B[5a,6]O[5a]2N[6]){1|H<1>,6|C<3>}	N[6](B[5a,6]O[5a]2O[6])(C[6]C[6,6a]H)(C[6a]C[6a]2){2|C<4>,6|C<3>}	109.0620	0.000	1	109.0620	0.000	1	109.0620	0.000	1	109.0620	0.000	1	109.0620	0.000	1	108.8715	0.063	4
679	643	643	0:SP3_SP2_SP2	B[5a]	C[6a]	C[6a]	2:2:3:3:	4:3:3:	4:3:3:	O[5a]-2:O[5a]-2:C[6a]-3:C[6a]-3:	B[5a]-4:C[6a]-3:C[6a]-3:	B[5a]-4:C[6a]-3:C[6a]-3:	B[5a](O[5a]C[5a,6a])2(C[6a]C[6a]2)2	C[6a](B[5a]C[6a]O[5a]2)(C[6a]C[6a]F)2	C[6a](B[5a]C[6a]O[5a]2)(C[6a]C[6a]F)2	B[5a](O[5a]C[5a,6a])2(C[6a]C[6a]2)2{4|F<1>,6|C<3>}	C[6a](B[5a]C[6a]O[5a]2)(C[6a]C[6a]F)2{2|F<1>,5|C<3>}	C[6a](B[5a]C[6a]O[5a]2)(C[6a]C[6a]F)2{2|F<1>,5|C<3>}	112.5810	3.831	7	112.5810	14.673	7	112.5810	14.673	7	112.5810	14.673	7	115.2786	6.833	72	115.2786	6.833	72
679	643	643	0:SP3_SP2_SP2	B[5a]	C[6a]	C[6a]	3:2:3:3:	4:3:3:	4:3:3:	N[5a,6]-3:O[5a]-2:C[6a]-3:C[6a]-3:	B[5a]-4:C[6a]-3:C[6a]-3:	B[5a]-4:C[6a]-3:C[6a]-3:	B[5a](N[5a,6]C[5a,6,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)2	C[6a](B[5a]N[5a,6]C[6a]O[5a])(C[6a]C[6a]2)(C[6a]C[6a]F)	C[6a](B[5a]N[5a,6]C[6a]O[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	B[5a](N[5a,6]C[5a,6,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)2{1|F<1>,2|H<1>,9|C<3>}	C[6a](B[5a]N[5a,6]C[6a]O[5a])(C[6a]C[6a]2)(C[6a]C[6a]F){2|F<1>,8|C<3>}	C[6a](B[5a]N[5a,6]C[6a]O[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,8|C<3>}	113.7690	0.485	2	113.7690	0.235	2	114.5741	5.578	29	114.6105	5.425	30	115.2786	6.833	72	115.2786	6.833	72
679	643	643	0:SP3_SP2_SP2	B[5a]	C[6a]	C[6a]	3:2:3:3:	4:3:3:	4:3:3:	N[5a,6]-3:O[5a]-2:C[6a]-3:C[6a]-3:	B[5a]-4:C[6a]-3:C[6a]-3:	B[5a]-4:C[6a]-3:C[6a]-3:	B[5a](N[5a,6]C[5a,6,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)2	C[6a](B[5a]N[5a,6]C[6a]O[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](B[5a]N[5a,6]C[6a]O[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	B[5a](N[5a,6]C[5a,6,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)2{3|H<1>,9|C<3>}	C[6a](B[5a]N[5a,6]C[6a]O[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,8|C<3>}	C[6a](B[5a]N[5a,6]C[6a]O[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,8|C<3>}	111.1760	0.000	1	111.1760	0.000	1	114.5741	5.578	29	114.6105	5.425	30	115.2786	6.833	72	115.2786	6.833	72
679	643	643	0:SP3_SP2_SP2	B[5a]	C[6a]	C[6a]	3:2:3:3:	4:3:3:	4:3:3:	N[5a,6]-3:O[5a]-2:C[6a]-3:C[6a]-3:	B[5a]-4:C[6a]-3:C[6a]-3:	B[5a]-4:C[6a]-3:C[6a]-3:	B[5a](N[5a,6]C[5a,6,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)2	C[6a](B[5a]N[5a,6]C[6a]O[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](B[5a]N[5a,6]C[6a]O[5a])(C[6a]C[6a]H)(C[6a]N[6a]F)	B[5a](N[5a,6]C[5a,6,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)2{1|F<1>,1|N<2>,3|H<1>,7|C<3>}	C[6a](B[5a]N[5a,6]C[6a]O[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,8|C<3>}	C[6a](B[5a]N[5a,6]C[6a]O[5a])(C[6a]C[6a]H)(C[6a]N[6a]F){1|H<1>,6|C<3>}	116.3420	1.601	4	116.3420	2.563	4	114.5741	5.578	29	114.6105	5.425	30	115.2786	6.833	72	115.2786	6.833	72
679	643	643	0:SP3_SP2_SP2	B[5a]	C[6a]	C[6a]	3:2:3:3:	4:3:3:	4:3:3:	N[5a,6]-3:O[5a]-2:C[6a]-3:C[6a]-3:	B[5a]-4:C[6a]-3:C[6a]-3:	B[5a]-4:C[6a]-3:C[6a]-3:	B[5a](N[5a,6]C[5a,6,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)2	C[6a](B[5a]N[5a,6]C[6a]O[5a])(C[6a]C[6a]F)2	C[6a](B[5a]N[5a,6]C[6a]O[5a])(C[6a]C[6a]F)2	B[5a](N[5a,6]C[5a,6,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)2{1|H<1>,4|F<1>,7|C<3>}	C[6a](B[5a]N[5a,6]C[6a]O[5a])(C[6a]C[6a]F)2{2|F<1>,6|C<3>}	C[6a](B[5a]N[5a,6]C[6a]O[5a])(C[6a]C[6a]F)2{2|F<1>,6|C<3>}	116.8870	0.000	1	116.8870	0.000	1	114.5741	5.578	29	114.6105	5.425	30	115.2786	6.833	72	115.2786	6.833	72
679	643	643	0:SP3_SP2_SP2	B[5a]	C[6a]	C[6a]	3:2:3:3:	4:3:3:	4:3:3:	N[5a,6]-3:O[5a]-2:C[6a]-3:C[6a]-3:	B[5a]-4:C[6a]-3:C[6a]-3:	B[5a]-4:C[6a]-3:C[6a]-3:	B[5a](N[5a,6]C[5a,6,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)2	C[6a](B[5a]N[5a,6]C[6a]O[5a])(C[6a]C[6a]H)(C[6a]N[6a]F)	C[6a](B[5a]N[5a,6]C[6a]O[5a])(C[6a]C[6a]H)(C[6a]N[6a]F)	B[5a](N[5a,6]C[5a,6,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)2{2|F<1>,2|N<2>,3|H<1>,5|C<3>}	C[6a](B[5a]N[5a,6]C[6a]O[5a])(C[6a]C[6a]H)(C[6a]N[6a]F){1|H<1>,6|C<3>}	C[6a](B[5a]N[5a,6]C[6a]O[5a])(C[6a]C[6a]H)(C[6a]N[6a]F){1|H<1>,6|C<3>}	114.1830	0.000	1	114.1830	0.000	1	114.5741	5.578	29	114.6105	5.425	30	115.2786	6.833	72	115.2786	6.833	72
679	643	643	0:SP3_SP2_SP2	B[5a]	C[6a]	C[6a]	3:2:3:3:	4:3:3:	4:3:3:	N[5a,6]-3:O[5a]-2:C[6a]-3:C[6a]-3:	B[5a]-4:C[6a]-3:C[6a]-3:	B[5a]-4:C[6a]-3:C[6a]-3:	B[5a](N[5a,6]C[5a,6,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)2	C[6a](B[5a]N[5a,6]C[6a]O[5a])(C[6a]C[6a]H)(C[6a]N[6a]F)	C[6a](B[5a]N[5a,6]C[6a]O[5a])(C[6a]C[6a]H)2	B[5a](N[5a,6]C[5a,6,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)2{1|F<1>,1|N<2>,4|H<1>,6|C<3>}	C[6a](B[5a]N[5a,6]C[6a]O[5a])(C[6a]C[6a]H)(C[6a]N[6a]F){1|H<1>,6|C<3>}	C[6a](B[5a]N[5a,6]C[6a]O[5a])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	112.3691	1.741	9	112.3691	3.029	9	114.5741	5.578	29	114.6105	5.425	30	115.2786	6.833	72	115.2786	6.833	72
679	643	643	0:SP3_SP2_SP2	B[5a]	C[6a]	C[6a]	3:2:3:3:	4:3:3:	4:3:3:	N[5a,6]-3:O[5a]-2:C[6a]-3:C[6a]-3:	B[5a]-4:C[6a]-3:C[6a]-3:	B[5a]-4:C[6a]-3:C[6a]-3:	B[5a](N[5a,6]C[5a,6,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)2	C[6a](B[5a]N[5a,6]C[6a]O[5a])(C[6a]C[6a]H)2	C[6a](B[5a]N[5a,6]C[6a]O[5a])(C[6a]C[6a]H)2	B[5a](N[5a,6]C[5a,6,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)2{1|C<4>,4|H<1>,7|C<3>}	C[6a](B[5a]N[5a,6]C[6a]O[5a])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	C[6a](B[5a]N[5a,6]C[6a]O[5a])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	116.7030	0.000	1	116.0160	2.655	11	114.5741	5.578	29	114.6105	5.425	30	115.2786	6.833	72	115.2786	6.833	72
679	643	643	0:SP3_SP2_SP2	B[5a]	C[6a]	C[6a]	3:2:3:3:	4:3:3:	4:3:3:	N[5a,6]-3:O[5a]-2:C[6a]-3:C[6a]-3:	B[5a]-4:C[6a]-3:C[6a]-3:	B[5a]-4:C[6a]-3:C[6a]-3:	B[5a](N[5a,6]C[5a,6,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)2	C[6a](B[5a]N[5a,6]C[6a]O[5a])(C[6a]C[6a]H)2	C[6a](B[5a]N[5a,6]C[6a]O[5a])(C[6a]C[6a]H)2	B[5a](N[5a,6]C[5a,6,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)2{5|H<1>,7|C<3>}	C[6a](B[5a]N[5a,6]C[6a]O[5a])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	C[6a](B[5a]N[5a,6]C[6a]O[5a])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	115.9473	1.701	10	116.0160	2.655	11	114.5741	5.578	29	114.6105	5.425	30	115.2786	6.833	72	115.2786	6.833	72
679	643	643	0:SP3_SP2_SP2	B[5a]	C[6a]	C[6a]	3:2:3:3:	4:3:3:	4:3:3:	N[5a]-3:O[5a]-2:C[6a]-3:C[6a]-3:	B[5a]-4:C[6a]-3:C[6a]-3:	B[5a]-4:C[6a]-3:C[6a]-3:	B[5a](N[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)2	C[6a](B[5a]C[6a]N[5a]O[5a])(C[6a]C[6a]F)2	C[6a](B[5a]C[6a]N[5a]O[5a])(C[6a]C[6a]F)2	B[5a](N[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)2{4|F<1>,8|C<3>}	C[6a](B[5a]C[6a]N[5a]O[5a])(C[6a]C[6a]F)2{2|F<1>,6|C<3>}	C[6a](B[5a]C[6a]N[5a]O[5a])(C[6a]C[6a]F)2{2|F<1>,6|C<3>}	115.6660	0.000	1	115.6660	0.000	1	115.6660	0.000	1	114.6105	5.425	30	115.2786	6.833	72	115.2786	6.833	72
679	643	643	0:SP3_SP2_SP2	B[5a]	C[6a]	C[6a]	3:3:3:2:	4:3:3:	4:3:3:	N[5,5a]-3:C[6a]-3:C[6a]-3:O[5a]-2:	B[5a]-4:C[6a]-3:C[6a]-3:	B[5a]-4:C[6a]-3:C[6a]-3:	B[5a](N[5,5a]N[5,5a]C[5])(C[6a]C[6a]2)2(O[5a]C[5a])	C[6a](B[5a]N[5,5a]C[6a]O[5a])(C[6a]C[6a]F)2	C[6a](B[5a]N[5,5a]C[6a]O[5a])(C[6a]C[6a]F)2	B[5a](N[5,5a]N[5,5a]C[5])(C[6a]C[6a]2)2(O[5a]C[5a]){1|C<4>,1|O<1>,4|F<1>,6|C<3>}	C[6a](B[5a]N[5,5a]C[6a]O[5a])(C[6a]C[6a]F)2{1|N<3>,2|F<1>,5|C<3>}	C[6a](B[5a]N[5,5a]C[6a]O[5a])(C[6a]C[6a]F)2{1|N<3>,2|F<1>,5|C<3>}	117.1480	0.000	1	117.1480	0.000	1	117.1480	0.000	1	117.1480	0.000	1	115.2786	6.833	72	115.2786	6.833	72
679	643	643	0:SP3_SP2_SP2	B[5a]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5a]-3:C[6a]-3:C[6a]-3:N[5a]-3:	B[5a]-4:C[6a]-3:C[6a]-3:	B[5a]-4:C[6a]-3:C[6a]-3:	B[5a](C[5a]N[5a]N)(C[6a]C[6a]2)2(N[5a]C[5a]C)	C[6a](B[5a]C[5a]C[6a]N[5a])(C[6a]C[6a]F)2	C[6a](B[5a]C[5a]C[6a]N[5a])(C[6a]C[6a]F)2	B[5a](C[5a]N[5a]N)(C[6a]C[6a]2)2(N[5a]C[5a]C){1|C<4>,1|H<1>,4|C<3>,4|F<1>}	C[6a](B[5a]C[5a]C[6a]N[5a])(C[6a]C[6a]F)2{1|C<4>,1|N<2>,1|N<3>,2|F<1>,4|C<3>}	C[6a](B[5a]C[5a]C[6a]N[5a])(C[6a]C[6a]F)2{1|C<4>,1|N<2>,1|N<3>,2|F<1>,4|C<3>}	116.2990	0.000	1	116.2990	0.000	1	116.2990	0.000	1	116.8443	1.659	31	115.2786	6.833	72	115.2786	6.833	72
679	643	643	0:SP3_SP2_SP2	B[5a]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	N[5,5a]-3:C[6a]-3:C[6a]-3:N[5a]-3:	B[5a]-4:C[6a]-3:C[6a]-3:	B[5a]-4:C[6a]-3:C[6a]-3:	B[5a](N[5,5a]N[5,5a]C[5])(C[6a]C[6a]2)2(N[5a]B[5a]N)	C[6a](B[5a]N[5,5a]C[6a]N[5a])(C[6a]C[6a]F)2	C[6a](B[5a]N[5,5a]C[6a]N[5a])(C[6a]C[6a]F)2	B[5a](N[5,5a]N[5,5a]C[5])(C[6a]C[6a]2)2(N[5a]B[5a]N){1|N<2>,4|F<1>,8|C<3>}	C[6a](B[5a]N[5,5a]C[6a]N[5a])(C[6a]C[6a]F)2{1|B<4>,1|N<2>,1|N<3>,2|F<1>,4|C<3>}	C[6a](B[5a]N[5,5a]C[6a]N[5a])(C[6a]C[6a]F)2{1|B<4>,1|N<2>,1|N<3>,2|F<1>,4|C<3>}	119.4650	0.000	1	119.4650	0.000	1	118.0810	3.831	2	116.8443	1.659	31	115.2786	6.833	72	115.2786	6.833	72
679	643	643	0:SP3_SP2_SP2	B[5a]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	N[5,5a]-3:C[6a]-3:C[6a]-3:N[5a]-3:	B[5a]-4:C[6a]-3:C[6a]-3:	B[5a]-4:C[6a]-3:C[6a]-3:	B[5a](N[5,5a]N[5,5a]N[5])(C[6a]C[6a]2)2(N[5a]B[5a]N)	C[6a](B[5a]N[5,5a]C[6a]N[5a])(C[6a]C[6a]F)2	C[6a](B[5a]N[5,5a]C[6a]N[5a])(C[6a]C[6a]F)2	B[5a](N[5,5a]N[5,5a]N[5])(C[6a]C[6a]2)2(N[5a]B[5a]N){4|F<1>,8|C<3>}	C[6a](B[5a]N[5,5a]C[6a]N[5a])(C[6a]C[6a]F)2{1|B<4>,1|N<3>,2|F<1>,2|N<2>,3|C<3>}	C[6a](B[5a]N[5,5a]C[6a]N[5a])(C[6a]C[6a]F)2{1|B<4>,1|N<3>,2|F<1>,2|N<2>,3|C<3>}	116.6970	0.000	1	116.6970	0.000	1	118.0810	3.831	2	116.8443	1.659	31	115.2786	6.833	72	115.2786	6.833	72
679	643	643	0:SP3_SP2_SP2	B[5a]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	N[5a,5a]-3:N[5a,6]-3:C[6a]-3:C[6a]-3:	B[5a]-4:C[6a]-3:C[6a]-3:	B[5a]-4:C[6a]-3:C[6a]-3:	B[5a](N[5a,5a]C[5a,5a]C[5a,6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)2	C[6a](B[5a]N[5a,5a]N[5a,6]C[6a])(C[6a]C[6a]H)2	C[6a](B[5a]N[5a,5a]N[5a,6]C[6a])(C[6a]C[6a]H)2	B[5a](N[5a,5a]C[5a,5a]C[5a,6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)2{5|H<1>,9|C<3>}	C[6a](B[5a]N[5a,5a]N[5a,6]C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[6a](B[5a]N[5a,5a]N[5a,6]C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	116.8103	1.569	3	116.8103	2.460	3	117.0043	1.042	6	116.8443	1.659	31	115.2786	6.833	72	115.2786	6.833	72
679	643	643	0:SP3_SP2_SP2	B[5a]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	N[5a,5a]-3:N[5a,6]-3:C[6a]-3:C[6a]-3:	B[5a]-4:C[6a]-3:C[6a]-3:	B[5a]-4:C[6a]-3:C[6a]-3:	B[5a](N[5a,5a]C[5a,5a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)2	C[6a](B[5a]N[5a,5a]N[5a,6]C[6a])(C[6a]C[6a]H)2	C[6a](B[5a]N[5a,5a]N[5a,6]C[6a])(C[6a]C[6a]H)2	B[5a](N[5a,5a]C[5a,5a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)2{1|N<2>,5|H<1>,7|C<3>}	C[6a](B[5a]N[5a,5a]N[5a,6]C[6a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,6|C<3>}	C[6a](B[5a]N[5a,5a]N[5a,6]C[6a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,6|C<3>}	116.9950	0.000	1	117.1983	0.031	3	117.0043	1.042	6	116.8443	1.659	31	115.2786	6.833	72	115.2786	6.833	72
679	643	643	0:SP3_SP2_SP2	B[5a]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	N[5a,5a]-3:N[5a,6]-3:C[6a]-3:C[6a]-3:	B[5a]-4:C[6a]-3:C[6a]-3:	B[5a]-4:C[6a]-3:C[6a]-3:	B[5a](N[5a,5a]C[5a,5a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)2	C[6a](B[5a]N[5a,5a]N[5a,6]C[6a])(C[6a]C[6a]H)2	C[6a](B[5a]N[5a,5a]N[5a,6]C[6a])(C[6a]C[6a]H)2	B[5a](N[5a,5a]C[5a,5a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)2{5|H<1>,8|C<3>}	C[6a](B[5a]N[5a,5a]N[5a,6]C[6a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,6|C<3>}	C[6a](B[5a]N[5a,5a]N[5a,6]C[6a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,6|C<3>}	117.3000	0.000	2	117.1983	0.031	3	117.0043	1.042	6	116.8443	1.659	31	115.2786	6.833	72	115.2786	6.833	72
679	643	643	0:SP3_SP2_SP2	B[5a]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	N[5a,5a]-3:N[5a]-3:C[6a]-3:C[6a]-3:	B[5a]-4:C[6a]-3:C[6a]-3:	B[5a]-4:C[6a]-3:C[6a]-3:	B[5a](N[5a,5a]C[5a,5a]C[5a,6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2)2	C[6a](B[5a]N[5a,5a]C[6a]N[5a])(C[6a]C[6a]H)2	C[6a](B[5a]N[5a,5a]C[6a]N[5a])(C[6a]C[6a]H)2	B[5a](N[5a,5a]C[5a,5a]C[5a,6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2)2{5|H<1>,9|C<3>}	C[6a](B[5a]N[5a,5a]C[6a]N[5a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[6a](B[5a]N[5a,5a]C[6a]N[5a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	115.3900	0.119	2	115.3900	0.014	2	116.2840	0.843	12	116.8443	1.659	31	115.2786	6.833	72	115.2786	6.833	72
679	643	643	0:SP3_SP2_SP2	B[5a]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	N[5a,5a]-3:N[5a]-3:C[6a]-3:C[6a]-3:	B[5a]-4:C[6a]-3:C[6a]-3:	B[5a]-4:C[6a]-3:C[6a]-3:	B[5a](N[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2)2	C[6a](B[5a]N[5a,5a]C[6a]N[5a])(C[6a]C[6a]H)2	C[6a](B[5a]N[5a,5a]C[6a]N[5a])(C[6a]C[6a]H)2	B[5a](N[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2)2{6|H<1>,8|C<3>}	C[6a](B[5a]N[5a,5a]C[6a]N[5a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[6a](B[5a]N[5a,5a]C[6a]N[5a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	116.1391	0.644	8	116.1391	0.414	8	116.2840	0.843	12	116.8443	1.659	31	115.2786	6.833	72	115.2786	6.833	72
679	643	643	0:SP3_SP2_SP2	B[5a]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	N[5a,5a]-3:N[5a]-3:C[6a]-3:C[6a]-3:	B[5a]-4:C[6a]-3:C[6a]-3:	B[5a]-4:C[6a]-3:C[6a]-3:	B[5a](N[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]2)2	C[6a](B[5a]N[5a,5a]C[6a]N[5a])(C[6a]C[6a]H)2	C[6a](B[5a]N[5a,5a]C[6a]N[5a])(C[6a]C[6a]H)2	B[5a](N[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]2)2{1|B<4>,1|C<4>,5|H<1>,7|C<3>}	C[6a](B[5a]N[5a,5a]C[6a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,6|C<3>}	C[6a](B[5a]N[5a,5a]C[6a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,6|C<3>}	117.7575	0.503	2	117.7575	0.253	2	116.2840	0.843	12	116.8443	1.659	31	115.2786	6.833	72	115.2786	6.833	72
679	643	643	0:SP3_SP2_SP2	B[5a]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	N[5a,6]-3:N[5a]-3:C[6a]-3:C[6a]-3:	B[5a]-4:C[6a]-3:C[6a]-3:	B[5a]-4:C[6a]-3:C[6a]-3:	B[5a](N[5a,6]C[5a,6,6a]C[6])(N[5a]C[5a,6a]C)(C[6a]C[6a]2)2	C[6a](B[5a]N[5a,6]C[6a]N[5a])(C[6a]C[6a]H)2	C[6a](B[5a]N[5a,6]C[6a]N[5a])(C[6a]C[6a]H)2	B[5a](N[5a,6]C[5a,6,6a]C[6])(N[5a]C[5a,6a]C)(C[6a]C[6a]2)2{5|H<1>,7|C<3>}	C[6a](B[5a]N[5a,6]C[6a]N[5a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[6a](B[5a]N[5a,6]C[6a]N[5a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	117.5850	1.526	6	117.5850	2.327	6	117.5850	2.327	6	116.8443	1.659	31	115.2786	6.833	72	115.2786	6.833	72
679	643	643	0:SP3_SP2_SP2	B[5a]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:N[5a]-3:	B[5a]-4:C[6a]-3:C[6a]-3:	B[5a]-4:C[6a]-3:C[6a]-3:	B[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)2(N[5a]C[5a]H)	C[6a](B[5a]N[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)2	C[6a](B[5a]N[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)2	B[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)2(N[5a]C[5a]H){5|H<1>,7|C<3>}	C[6a](B[5a]N[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)2{3|H<1>,6|C<3>}	C[6a](B[5a]N[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)2{3|H<1>,6|C<3>}	115.9803	1.240	3	115.9803	1.537	3	115.9803	1.537	3	116.8443	1.659	31	115.2786	6.833	72	115.2786	6.833	72
679	643	643	0:SP3_SP2_SP2	B[5a]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	N[5a,6a]-3:N[5a,6]-3:C[6a]-3:C[6a]-3:	B[5a]-4:C[6a]-3:C[6a]-3:	B[5a]-4:C[6a]-3:C[6a]-3:	B[5a](N[5a,6a]C[5a,6a]B[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)2	C[6a](B[5a]N[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]C)2	C[6a](B[5a]N[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]C)2	B[5a](N[5a,6a]C[5a,6a]B[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)2{1|H<1>,5|C<4>,8|C<3>}	C[6a](B[5a]N[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]C)2{1|B<3>,2|H<1>,6|C<3>}	C[6a](B[5a]N[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]C)2{1|B<3>,2|H<1>,6|C<3>}	118.8270	0.000	1	118.8270	0.000	1	118.8270	0.000	1	116.8443	1.659	31	115.2786	6.833	72	115.2786	6.833	72
679	643	643	0:SP3_SP2_SP2	B[5a]	C[6a]	C[6a]	4:2:3:3:	4:3:3:	4:3:3:	N[5a]-4:O[5a]-2:C[6a]-3:C[6a]-3:	B[5a]-4:C[6a]-3:C[6a]-3:	B[5a]-4:C[6a]-3:C[6a]-3:	B[5a](N[5a]C[5a,6a]C[6a]H)(O[5a]C[5a,6a])(C[6a]C[6a]2)2	C[6a](B[5a]C[6a]N[5a]O[5a])(C[6a]C[6a]F)2	C[6a](B[5a]C[6a]N[5a]O[5a])(C[6a]C[6a]F)2	B[5a](N[5a]C[5a,6a]C[6a]H)(O[5a]C[5a,6a])(C[6a]C[6a]2)2{4|F<1>,8|C<3>}	C[6a](B[5a]C[6a]N[5a]O[5a])(C[6a]C[6a]F)2{1|H<1>,2|F<1>,6|C<3>}	C[6a](B[5a]C[6a]N[5a]O[5a])(C[6a]C[6a]F)2{1|H<1>,2|F<1>,6|C<3>}	112.0460	0.000	1	112.0460	0.000	1	112.0460	0.000	1	112.0460	0.000	1	115.2786	6.833	72	115.2786	6.833	72
679	643	643	0:SP3_SP2_SP2	B[5a]	C[6a]	C[6a]	4:3:3:2:	4:3:3:	4:3:3:	N[5a]-4:C[6a]-3:C[6a]-3:O[5a]-2:	B[5a]-4:C[6a]-3:C[6a]-3:	B[5a]-4:C[6a]-3:C[6a]-3:	B[5a](N[5a]N[5a]HH)(C[6a]C[6a]2)2(O[5a]C[5a])	C[6a](B[5a]C[6a]N[5a]O[5a])(C[6a]C[6a]F)2	C[6a](B[5a]C[6a]N[5a]O[5a])(C[6a]C[6a]F)2	B[5a](N[5a]N[5a]HH)(C[6a]C[6a]2)2(O[5a]C[5a]){4|F<1>,5|C<3>}	C[6a](B[5a]C[6a]N[5a]O[5a])(C[6a]C[6a]F)2{1|N<2>,2|F<1>,2|H<1>,4|C<3>}	C[6a](B[5a]C[6a]N[5a]O[5a])(C[6a]C[6a]F)2{1|N<2>,2|F<1>,2|H<1>,4|C<3>}	111.1555	1.312	2	111.1555	1.721	2	111.1555	1.721	2	111.1555	1.721	2	115.2786	6.833	72	115.2786	6.833	72
679	643	643	6:SP3_SP2_SP2	B[5,6a]	C[6a,6a]	C[6a,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6a,6a]-3:C[6a,6a]-3:C[5,6a]-3:N[5,6]-3:	B[5,6a]-4:C[6a,6a]-3:C[6a]-3:	B[5,6a]-4:C[6a,6a]-3:C[6a]-3:	B[5,6a](C[6a,6a]C[6a,6a]C[6a])2(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])	C[6a,6a](B[5,6a]C[6a,6a]C[5,6a]N[5,6])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](B[5,6a]C[6a,6a]C[5,6a]N[5,6])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	B[5,6a](C[6a,6a]C[6a,6a]C[6a])2(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6]){1|N<3>,4|H<1>,8|C<3>}	C[6a,6a](B[5,6a]C[6a,6a]C[5,6a]N[5,6])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,7|C<3>}	C[6a,6a](B[5,6a]C[6a,6a]C[5,6a]N[5,6])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,7|C<3>}	108.2710	0.000	1	108.2710	0.000	1	109.9380	5.558	2	109.9380	5.558	2	109.9380	5.558	2	112.3920	4.077	7
679	643	643	6:SP3_SP2_SP2	B[5,6a]	C[6a,6a]	C[6a,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6a,6a]-3:C[6a,6a]-3:C[5,6a]-3:N[5,6]-3:	B[5,6a]-4:C[6a,6a]-3:C[6a]-3:	B[5,6a]-4:C[6a,6a]-3:C[6a]-3:	B[5,6a](C[6a,6a]C[6a,6a]C[6a])2(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])	C[6a,6a](B[5,6a]C[6a,6a]C[5,6a]N[5,6])(C[6a,6a]C[6a]S[6a])(C[6a]C[6a]H)	C[6a,6a](B[5,6a]C[6a,6a]C[5,6a]N[5,6])(C[6a,6a]C[6a]S[6a])(C[6a]C[6a]H)	B[5,6a](C[6a,6a]C[6a,6a]C[6a])2(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6]){1|S<2>,4|H<1>,8|C<3>}	C[6a,6a](B[5,6a]C[6a,6a]C[5,6a]N[5,6])(C[6a,6a]C[6a]S[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6a,6a](B[5,6a]C[6a,6a]C[5,6a]N[5,6])(C[6a,6a]C[6a]S[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	111.6050	0.000	1	111.6050	0.000	1	109.9380	5.558	2	109.9380	5.558	2	109.9380	5.558	2	112.3920	4.077	7
679	643	643	6:SP3_SP2_SP2	B[5a,6]	C[6,6a]	C[6,6a]	3:3:3:2:	4:3:3:	4:3:3:	N[5a,6]-3:C[6,6a]-3:C[6,6a]-3:O[5a]-2:	B[5a,6]-4:C[6,6a]-3:C[6a]-3:	B[5a,6]-4:C[6,6a]-3:C[6a]-3:	B[5a,6](N[5a,6]C[5a,6,6a]C[6])(C[6,6a]C[6,6a]C[6a])2(O[5a]C[5a,6a])	C[6,6a](B[5a,6]C[6,6a]N[5a,6]O[5a])(C[6,6a]B[5a,6]C[6a])(C[6a]C[6a]H)	C[6,6a](B[5a,6]C[6,6a]N[5a,6]O[5a])(C[6,6a]B[5a,6]C[6a])(C[6a]C[6a]Cl)	B[5a,6](N[5a,6]C[5a,6,6a]C[6])(C[6,6a]C[6,6a]C[6a])2(O[5a]C[5a,6a]){1|Cl<1>,1|B<4>,2|H<1>,7|C<3>}	C[6,6a](B[5a,6]C[6,6a]N[5a,6]O[5a])(C[6,6a]B[5a,6]C[6a])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|N<3>,1|O<2>,6|C<3>}	C[6,6a](B[5a,6]C[6,6a]N[5a,6]O[5a])(C[6,6a]B[5a,6]C[6a])(C[6a]C[6a]Cl){1|N<3>,1|O<2>,2|H<1>,6|C<3>}	114.5750	0.000	1	114.5750	0.000	1	113.3736	0.511	5	113.3736	0.511	5	113.3736	0.511	5	112.3920	4.077	7
679	643	643	6:SP3_SP2_SP2	B[5a,6]	C[6,6a]	C[6,6a]	3:3:3:2:	4:3:3:	4:3:3:	N[5a,6]-3:C[6,6a]-3:C[6,6a]-3:O[5a]-2:	B[5a,6]-4:C[6,6a]-3:C[6a]-3:	B[5a,6]-4:C[6,6a]-3:C[6a]-3:	B[5a,6](N[5a,6]C[5a,6,6a]C[6])(C[6,6a]C[6,6a]C[6a])2(O[5a]C[5a,6a])	C[6,6a](B[5a,6]C[6,6a]N[5a,6]O[5a])(C[6,6a]B[5a,6]C[6a])(C[6a]C[6a]H)	C[6,6a](B[5a,6]C[6,6a]N[5a,6]O[5a])(C[6,6a]B[5a,6]C[6a])(C[6a]C[6a]H)	B[5a,6](N[5a,6]C[5a,6,6a]C[6])(C[6,6a]C[6,6a]C[6a])2(O[5a]C[5a,6a]){1|B<4>,3|H<1>,7|C<3>}	C[6,6a](B[5a,6]C[6,6a]N[5a,6]O[5a])(C[6,6a]B[5a,6]C[6a])(C[6a]C[6a]H){1|F<1>,1|H<1>,1|N<3>,1|O<2>,6|C<3>}	C[6,6a](B[5a,6]C[6,6a]N[5a,6]O[5a])(C[6,6a]B[5a,6]C[6a])(C[6a]C[6a]H){1|F<1>,1|H<1>,1|N<3>,1|O<2>,6|C<3>}	113.0775	0.265	2	113.0733	0.080	4	113.3736	0.511	5	113.3736	0.511	5	113.3736	0.511	5	112.3920	4.077	7
679	643	643	6:SP3_SP2_SP2	B[5a,6]	C[6,6a]	C[6,6a]	3:3:3:2:	4:3:3:	4:3:3:	N[5a,6]-3:C[6,6a]-3:C[6,6a]-3:O[5a]-2:	B[5a,6]-4:C[6,6a]-3:C[6a]-3:	B[5a,6]-4:C[6,6a]-3:C[6a]-3:	B[5a,6](N[5a,6]C[5a,6,6a]C[6])(C[6,6a]C[6,6a]C[6a])2(O[5a]C[5a,6a])	C[6,6a](B[5a,6]C[6,6a]N[5a,6]O[5a])(C[6,6a]B[5a,6]C[6a])(C[6a]C[6a]H)	C[6,6a](B[5a,6]C[6,6a]N[5a,6]O[5a])(C[6,6a]B[5a,6]C[6a])(C[6a]C[6a]H)	B[5a,6](N[5a,6]C[5a,6,6a]C[6])(C[6,6a]C[6,6a]C[6a])2(O[5a]C[5a,6a]){1|B<4>,3|H<1>,7|C<3>}	C[6,6a](B[5a,6]C[6,6a]N[5a,6]O[5a])(C[6,6a]B[5a,6]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|H<1>,6|C<3>}	C[6,6a](B[5a,6]C[6,6a]N[5a,6]O[5a])(C[6,6a]B[5a,6]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|H<1>,6|C<3>}	113.0690	0.410	2	113.0733	0.080	4	113.3736	0.511	5	113.3736	0.511	5	113.3736	0.511	5	112.3920	4.077	7
679	643	727	0:SP3_SP2_SP2	B[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6a,6a]-3:C[6a,6a]-3:C[5,6a]-3:N[5,6]-3:	B[5,6a]-4:C[6a,6a]-3:C[6a]-3:	B[5,6a]-4:C[5,6a]-3:C[6a]-3:	B[5,6a](C[6a,6a]C[6a,6a]C[6a])2(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])	C[6a,6a](B[5,6a]C[6a,6a]C[5,6a]N[5,6])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5,6a](B[5,6a]C[6a,6a]2N[5,6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	B[5,6a](C[6a,6a]C[6a,6a]C[6a])2(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6]){1|N<3>,4|H<1>,8|C<3>}	C[6a,6a](B[5,6a]C[6a,6a]C[5,6a]N[5,6])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,7|C<3>}	C[5,6a](B[5,6a]C[6a,6a]2N[5,6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	115.6965	0.931	2	115.6965	0.867	2	114.3970	3.658	4	114.3970	3.658	4	114.3970	3.658	4	114.5140	12.918	7
679	643	727	0:SP3_SP2_SP2	B[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6a,6a]-3:C[6a,6a]-3:C[5,6a]-3:N[5,6]-3:	B[5,6a]-4:C[6a,6a]-3:C[6a]-3:	B[5,6a]-4:C[5,6a]-3:C[6a]-3:	B[5,6a](C[6a,6a]C[6a,6a]C[6a])2(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])	C[6a,6a](B[5,6a]C[6a,6a]C[5,6a]N[5,6])(C[6a,6a]C[6a]S[6a])(C[6a]C[6a]H)	C[5,6a](B[5,6a]C[6a,6a]2N[5,6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	B[5,6a](C[6a,6a]C[6a,6a]C[6a])2(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6]){1|S<2>,4|H<1>,8|C<3>}	C[6a,6a](B[5,6a]C[6a,6a]C[5,6a]N[5,6])(C[6a,6a]C[6a]S[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[5,6a](B[5,6a]C[6a,6a]2N[5,6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	113.0975	1.831	2	113.0975	3.351	2	114.3970	3.658	4	114.3970	3.658	4	114.3970	3.658	4	114.5140	12.918	7
679	643	727	0:SP3_SP2_SP2	B[5a]	C[6a]	C[5,5a]	3:3:3:1:	4:3:3:	4:3:3:	C[5,5a]-3:N[5a]-3:C[6a]-3:F-1:	B[5a]-4:C[6a]-3:C[6a]-3:	B[5a]-4:N[5,5a]-3:N[5]-3:	B[5a](C[5,5a]N[5,5a]N[5])(N[5a]C[5a]C[6a])(C[6a]C[6a]2)(F)	C[6a](B[5a]C[5,5a]N[5a]F)(C[6a]C[6a]C)2	C[5,5a](B[5a]C[6a]N[5a]F)(N[5,5a]C[5a]C[5])(N[5]C[3x6]C[5])	B[5a](C[5,5a]N[5,5a]N[5])(N[5a]C[5a]C[6a])(C[6a]C[6a]2)(F){4|C<3>,6|C<4>}	C[6a](B[5a]C[5,5a]N[5a]F)(C[6a]C[6a]C)2{2|H<1>,2|N<3>,3|C<3>}	C[5,5a](B[5a]C[6a]N[5a]F)(N[5,5a]C[5a]C[5])(N[5]C[3x6]C[5]){3|C<3>,4|C<4>,4|H<1>}	119.4430	0.000	1	119.4430	0.000	1	119.4430	0.000	1	119.4430	0.000	1	119.4430	0.000	1	114.5140	12.918	7
679	643	727	0:SP3_SP2_SP2	B[5a]	C[6a]	C[5a]	3:3:3:3:	4:3:3:	4:3:2:	C[5a]-3:C[6a]-3:C[6a]-3:N[5a]-3:	B[5a]-4:C[6a]-3:C[6a]-3:	B[5a]-4:N[5a]-3:N-2:	B[5a](C[5a]N[5a]N)(C[6a]C[6a]2)2(N[5a]C[5a]C)	C[6a](B[5a]C[5a]C[6a]N[5a])(C[6a]C[6a]F)2	C[5a](B[5a]C[6a]2N[5a])(N[5a]C[5a]C)(NC)	B[5a](C[5a]N[5a]N)(C[6a]C[6a]2)2(N[5a]C[5a]C){1|C<4>,1|H<1>,4|C<3>,4|F<1>}	C[6a](B[5a]C[5a]C[6a]N[5a])(C[6a]C[6a]F)2{1|C<4>,1|N<2>,1|N<3>,2|F<1>,4|C<3>}	C[5a](B[5a]C[6a]2N[5a])(N[5a]C[5a]C)(NC){1|C<4>,1|H<1>,4|C<3>}	112.2835	5.677	2	112.2835	32.232	2	112.2835	32.232	2	112.2835	32.232	2	112.2835	32.232	2	114.5140	12.918	7
679	643	813	0:SP3_SP2_SP2	B[5a,6]	C[6,6a]	N[5a,6]	3:3:3:2:	4:3:3:	3:4:3:	N[5a,6]-3:C[6,6a]-3:C[6,6a]-3:O[5a]-2:	B[5a,6]-4:C[6,6a]-3:C[6a]-3:	C[5a,6,6a]-3:B[5a,6]-4:C[6]-3:	B[5a,6](N[5a,6]C[5a,6,6a]C[6])(C[6,6a]C[6,6a]C[6a])2(O[5a]C[5a,6a])	C[6,6a](B[5a,6]C[6,6a]N[5a,6]O[5a])(C[6,6a]B[5a,6]C[6a])(C[6a]C[6a]Cl)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a,6]C[6,6a]2O[5a])(C[6]C[6]H)	B[5a,6](N[5a,6]C[5a,6,6a]C[6])(C[6,6a]C[6,6a]C[6a])2(O[5a]C[5a,6a]){1|Cl<1>,1|B<4>,2|H<1>,7|C<3>}	C[6,6a](B[5a,6]C[6,6a]N[5a,6]O[5a])(C[6,6a]B[5a,6]C[6a])(C[6a]C[6a]Cl){1|N<3>,1|O<2>,2|H<1>,6|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a,6]C[6,6a]2O[5a])(C[6]C[6]H){1|H<1>,7|C<3>}	110.2195	3.405	2	110.2195	11.592	2	110.3786	4.127	12	110.3786	4.127	12	110.3786	4.127	12	110.8523	7.275	217
679	643	813	0:SP3_SP2_SP2	B[5a,6]	C[6,6a]	N[5a,6]	3:3:3:2:	4:3:3:	3:4:3:	N[5a,6]-3:C[6,6a]-3:C[6,6a]-3:O[5a]-2:	B[5a,6]-4:C[6,6a]-3:C[6a]-3:	C[5a,6,6a]-3:B[5a,6]-4:C[6]-3:	B[5a,6](N[5a,6]C[5a,6,6a]C[6])(C[6,6a]C[6,6a]C[6a])2(O[5a]C[5a,6a])	C[6,6a](B[5a,6]C[6,6a]N[5a,6]O[5a])(C[6,6a]B[5a,6]C[6a])(C[6a]C[6a]H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a,6]C[6,6a]2O[5a])(C[6]C[6]H)	B[5a,6](N[5a,6]C[5a,6,6a]C[6])(C[6,6a]C[6,6a]C[6a])2(O[5a]C[5a,6a]){1|B<4>,3|H<1>,7|C<3>}	C[6,6a](B[5a,6]C[6,6a]N[5a,6]O[5a])(C[6,6a]B[5a,6]C[6a])(C[6a]C[6a]H){1|F<1>,1|H<1>,1|N<3>,1|O<2>,6|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a,6]C[6,6a]2O[5a])(C[6]C[6]H){1|H<1>,7|C<3>}	110.9093	1.260	4	110.4104	3.749	10	110.3786	4.127	12	110.3786	4.127	12	110.3786	4.127	12	110.8523	7.275	217
679	643	813	0:SP3_SP2_SP2	B[5a,6]	C[6,6a]	N[5a,6]	3:3:3:2:	4:3:3:	3:4:3:	N[5a,6]-3:C[6,6a]-3:C[6,6a]-3:O[5a]-2:	B[5a,6]-4:C[6,6a]-3:C[6a]-3:	C[5a,6,6a]-3:B[5a,6]-4:C[6]-3:	B[5a,6](N[5a,6]C[5a,6,6a]C[6])(C[6,6a]C[6,6a]C[6a])2(O[5a]C[5a,6a])	C[6,6a](B[5a,6]C[6,6a]N[5a,6]O[5a])(C[6,6a]B[5a,6]C[6a])(C[6a]C[6a]H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a,6]C[6,6a]2O[5a])(C[6]C[6]H)	B[5a,6](N[5a,6]C[5a,6,6a]C[6])(C[6,6a]C[6,6a]C[6a])2(O[5a]C[5a,6a]){1|B<4>,3|H<1>,7|C<3>}	C[6,6a](B[5a,6]C[6,6a]N[5a,6]O[5a])(C[6,6a]B[5a,6]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|H<1>,6|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a,6]C[6,6a]2O[5a])(C[6]C[6]H){1|H<1>,7|C<3>}	111.2302	1.758	4	110.4104	3.749	10	110.3786	4.127	12	110.3786	4.127	12	110.3786	4.127	12	110.8523	7.275	217
679	643	813	0:SP3_SP2_SP2	B[5a,6]	C[6,6a]	N[5a,6]	3:3:3:2:	4:3:3:	3:4:3:	N[5a,6]-3:C[6,6a]-3:C[6,6a]-3:O[5a]-2:	B[5a,6]-4:C[6,6a]-3:C[6a]-3:	C[5a,6,6a]-3:B[5a,6]-4:C[6]-3:	B[5a,6](N[5a,6]C[5a,6,6a]C[6])(C[6,6a]C[6,6a]C[6a])2(O[5a]C[5a,6a])	C[6,6a](B[5a,6]C[6,6a]N[5a,6]O[5a])(C[6,6a]B[5a,6]C[6a])(C[6a]C[6a]H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a,6]C[6,6a]2O[5a])(C[6]C[6]H)	B[5a,6](N[5a,6]C[5a,6,6a]C[6])(C[6,6a]C[6,6a]C[6a])2(O[5a]C[5a,6a]){1|Cl<1>,1|B<4>,2|H<1>,7|C<3>}	C[6,6a](B[5a,6]C[6,6a]N[5a,6]O[5a])(C[6,6a]B[5a,6]C[6a])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|N<3>,1|O<2>,6|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a,6]C[6,6a]2O[5a])(C[6]C[6]H){1|H<1>,7|C<3>}	107.7730	1.452	2	110.4104	3.749	10	110.3786	4.127	12	110.3786	4.127	12	110.3786	4.127	12	110.8523	7.275	217
679	643	813	0:SP3_SP2_SP2	B[5a,6]	C[6a]	N[5a,6]	3:2:3:2:	4:3:3:	4:3:3:	N[5a,6]-3:O[5a]-2:C[6a]-3:O[6]-2:	B[5a,6]-4:C[6a]-3:C[6a]-3:	B[5a,6]-4:C[5a,6a]-3:C[6]-3:	B[5a,6](N[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)(O[6]C[6,6a])	C[6a](B[5a,6]N[5a,6]O[5a]O[6])(C[6a]C[6a]H)2	N[5a,6](B[5a,6]C[6a]O[5a]O[6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]H)	B[5a,6](N[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)(O[6]C[6,6a]){3|H<1>,6|C<3>}	C[6a](B[5a,6]N[5a,6]O[5a]O[6])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	N[5a,6](B[5a,6]C[6a]O[5a]O[6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]H){1|H<1>,6|C<3>}	112.6455	0.018	2	112.6455	0.000	2	112.6455	0.000	2	112.6455	0.000	2	112.6455	0.000	2	110.8523	7.275	217
679	643	813	0:SP3_SP2_SP2	B[5a]	C[6a]	N[5,5a]	3:3:3:2:	4:3:3:	4:3:3:	N[5,5a]-3:C[6a]-3:C[6a]-3:O[5a]-2:	B[5a]-4:C[6a]-3:C[6a]-3:	B[5a]-4:N[5,5a]-3:C[5]-3:	B[5a](N[5,5a]N[5,5a]C[5])(C[6a]C[6a]2)2(O[5a]C[5a])	C[6a](B[5a]N[5,5a]C[6a]O[5a])(C[6a]C[6a]F)2	N[5,5a](B[5a]C[6a]2O[5a])(N[5,5a]C[5a]C[5])(C[5]C[5]C)	B[5a](N[5,5a]N[5,5a]C[5])(C[6a]C[6a]2)2(O[5a]C[5a]){1|C<4>,1|O<1>,4|F<1>,6|C<3>}	C[6a](B[5a]N[5,5a]C[6a]O[5a])(C[6a]C[6a]F)2{1|N<3>,2|F<1>,5|C<3>}	N[5,5a](B[5a]C[6a]2O[5a])(N[5,5a]C[5a]C[5])(C[5]C[5]C){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	111.8930	2.384	2	111.8930	5.685	2	111.8930	5.685	2	111.8930	5.685	2	111.1729	1.412	18	110.8523	7.275	217
679	643	813	0:SP3_SP2_SP2	B[5a]	C[6a]	N[5,5a]	3:3:3:3:	4:3:3:	4:3:2:	N[5,5a]-3:C[6a]-3:C[6a]-3:N[5a]-3:	B[5a]-4:C[6a]-3:C[6a]-3:	B[5a]-4:N[5,5a]-3:N[5]-2:	B[5a](N[5,5a]N[5,5a]N[5])(C[6a]C[6a]2)2(N[5a]B[5a]N)	C[6a](B[5a]N[5,5a]C[6a]N[5a])(C[6a]C[6a]F)2	N[5,5a](B[5a]C[6a]2N[5a])(N[5,5a]B[5a]C[5])(N[5]C[5])	B[5a](N[5,5a]N[5,5a]N[5])(C[6a]C[6a]2)2(N[5a]B[5a]N){4|F<1>,8|C<3>}	C[6a](B[5a]N[5,5a]C[6a]N[5a])(C[6a]C[6a]F)2{1|B<4>,1|N<3>,2|F<1>,2|N<2>,3|C<3>}	N[5,5a](B[5a]C[6a]2N[5a])(N[5,5a]B[5a]C[5])(N[5]C[5]){1|N<2>,8|C<3>}	111.5400	2.577	2	111.5400	6.639	2	111.5400	6.639	2	111.5400	6.639	2	111.1729	1.412	18	110.8523	7.275	217
679	643	813	0:SP3_SP2_SP2	B[5a]	C[6a]	N[5,5a]	3:3:3:3:	4:3:3:	4:3:3:	N[5,5a]-3:C[6a]-3:C[6a]-3:N[5a]-3:	B[5a]-4:C[6a]-3:C[6a]-3:	B[5a]-4:N[5,5a]-3:C[5]-3:	B[5a](N[5,5a]N[5,5a]C[5])(C[6a]C[6a]2)2(N[5a]B[5a]N)	C[6a](B[5a]N[5,5a]C[6a]N[5a])(C[6a]C[6a]F)2	N[5,5a](B[5a]C[6a]2N[5a])(N[5,5a]B[5a]N[5])(C[5]C[5]C)	B[5a](N[5,5a]N[5,5a]C[5])(C[6a]C[6a]2)2(N[5a]B[5a]N){1|N<2>,4|F<1>,8|C<3>}	C[6a](B[5a]N[5,5a]C[6a]N[5a])(C[6a]C[6a]F)2{1|B<4>,1|N<2>,1|N<3>,2|F<1>,4|C<3>}	N[5,5a](B[5a]C[6a]2N[5a])(N[5,5a]B[5a]N[5])(C[5]C[5]C){1|N<2>,7|C<3>}	110.5260	2.162	2	110.5260	4.676	2	110.5260	4.676	2	110.5260	4.676	2	111.1729	1.412	18	110.8523	7.275	217
679	643	813	0:SP3_SP2_SP2	B[5a]	C[6a]	N[5,5a]	3:3:4:3:	4:3:3:	4:3:3:	N[5,5a]-3:N[5a]-3:N[5a]-4:C[6a]-3:	B[5a]-4:C[6a]-3:C[6a]-3:	B[5a]-4:N[5,5a]-3:C[5]-3:	B[5a](N[5,5a]N[5,5a]C[5])(N[5a]C[5a]N[5a])(N[5a]B[5a]CH)(C[6a]C[6a]2)	C[6a](B[5a]N[5,5a]N[5a]2)(C[6a]C[6a]H)2	N[5,5a](B[5a]C[6a]N[5a]2)(N[5,5a]B[5a]C[5])(C[5]C[5]H)	B[5a](N[5,5a]N[5,5a]C[5])(N[5a]C[5a]N[5a])(N[5a]B[5a]CH)(C[6a]C[6a]2){1|N<3>,4|H<1>,7|C<3>}	C[6a](B[5a]N[5,5a]N[5a]2)(C[6a]C[6a]H)2{1|B<4>,1|C<4>,1|N<2>,1|N<3>,3|C<3>,3|H<1>}	N[5,5a](B[5a]C[6a]N[5a]2)(N[5,5a]B[5a]C[5])(C[5]C[5]H){1|C<4>,1|N<2>,1|N<3>,3|H<1>,4|C<3>}	111.9065	0.131	2	111.9065	0.017	2	111.9065	0.017	2	111.9065	0.017	2	111.1729	1.412	18	110.8523	7.275	217
679	643	813	0:SP3_SP2_SP2	B[5a]	C[6a]	N[5,5a]	3:4:3:3:	4:3:3:	4:3:3:	N[5,5a]-3:N[5a]-4:N[5]-3:C[6a]-3:	B[5a]-4:C[6a]-3:C[6a]-3:	B[5a]-4:N[5,5a]-3:C[5]-3:	B[5a](N[5,5a]N[5,5a]C[5])(N[5a]B[5a]CH)(N[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](B[5a]N[5,5a]N[5a]N[5])(C[6a]C[6a]H)2	N[5,5a](B[5a]C[6a]N[5a]N[5])(N[5,5a]B[5a]C[5])(C[5]C[5]H)	B[5a](N[5,5a]N[5,5a]C[5])(N[5a]B[5a]CH)(N[5]C[5]N[5])(C[6a]C[6a]2){1|Co<4>,1|N<3>,4|H<1>,7|C<3>}	C[6a](B[5a]N[5,5a]N[5a]N[5])(C[6a]C[6a]H)2{1|B<4>,1|C<4>,2|N<3>,3|C<3>,3|H<1>}	N[5,5a](B[5a]C[6a]N[5a]N[5])(N[5,5a]B[5a]C[5])(C[5]C[5]H){1|C<4>,2|N<3>,3|H<1>,4|C<3>}	111.4025	1.047	2	111.4025	1.097	2	110.9382	0.358	10	110.9382	0.358	10	111.1729	1.412	18	110.8523	7.275	217
679	643	813	0:SP3_SP2_SP2	B[5a]	C[6a]	N[5,5a]	3:4:3:3:	4:3:3:	4:3:3:	N[5,5a]-3:N[5a]-4:N[5]-3:C[6a]-3:	B[5a]-4:C[6a]-3:C[6a]-3:	B[5a]-4:N[5,5a]-3:C[5]-3:	B[5a](N[5,5a]N[5,5a]C[5])(N[5a]B[5a]LiC)(N[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](B[5a]N[5,5a]N[5a]N[5])(C[6a]C[6a]H)2	N[5,5a](B[5a]C[6a]N[5a]N[5])(N[5,5a]B[5a]C[5])(C[5]C[5]H)	B[5a](N[5,5a]N[5,5a]C[5])(N[5a]B[5a]LiC)(N[5]C[5]N[5])(C[6a]C[6a]2){1|N<3>,4|H<1>,7|C<3>}	C[6a](B[5a]N[5,5a]N[5a]N[5])(C[6a]C[6a]H)2{1|Li<4>,1|B<4>,1|C<4>,2|H<1>,2|N<3>,3|C<3>}	N[5,5a](B[5a]C[6a]N[5a]N[5])(N[5,5a]B[5a]C[5])(C[5]C[5]H){1|Li<4>,1|C<4>,2|H<1>,2|N<3>,4|C<3>}	110.5383	0.269	4	110.5383	0.072	4	110.9382	0.358	10	110.9382	0.358	10	111.1729	1.412	18	110.8523	7.275	217
679	643	813	0:SP3_SP2_SP2	B[5a]	C[6a]	N[5,5a]	3:4:3:3:	4:3:3:	4:3:3:	N[5,5a]-3:N[5a]-4:N[5]-3:C[6a]-3:	B[5a]-4:C[6a]-3:C[6a]-3:	B[5a]-4:N[5,5a]-3:C[5]-3:	B[5a](N[5,5a]N[5,5a]C[5])(N[5a]B[5a]MgC)(N[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](B[5a]N[5,5a]N[5a]N[5])(C[6a]C[6a]H)2	N[5,5a](B[5a]C[6a]N[5a]N[5])(N[5,5a]B[5a]C[5])(C[5]C[5]H)	B[5a](N[5,5a]N[5,5a]C[5])(N[5a]B[5a]MgC)(N[5]C[5]N[5])(C[6a]C[6a]2){1|N<3>,4|H<1>,7|C<3>}	C[6a](B[5a]N[5,5a]N[5a]N[5])(C[6a]C[6a]H)2{1|Mg<5>,1|B<4>,1|C<4>,2|H<1>,2|N<3>,3|C<3>}	N[5,5a](B[5a]C[6a]N[5a]N[5])(N[5,5a]B[5a]C[5])(C[5]C[5]H){1|Mg<5>,1|C<4>,2|H<1>,2|N<3>,4|C<3>}	111.5145	0.200	2	111.1060	0.240	4	110.9382	0.358	10	110.9382	0.358	10	111.1729	1.412	18	110.8523	7.275	217
679	643	813	0:SP3_SP2_SP2	B[5a]	C[6a]	N[5,5a]	3:4:3:3:	4:3:3:	4:3:3:	N[5,5a]-3:N[5a]-4:N[5]-3:C[6a]-3:	B[5a]-4:C[6a]-3:C[6a]-3:	B[5a]-4:N[5,5a]-3:C[5]-3:	B[5a](N[5,5a]N[5,5a]C[5])(N[5a]B[5a]MgC)(N[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](B[5a]N[5,5a]N[5a]N[5])(C[6a]C[6a]H)2	N[5,5a](B[5a]C[6a]N[5a]N[5])(N[5,5a]B[5a]C[5])(C[5]C[5]H)	B[5a](N[5,5a]N[5,5a]C[5])(N[5a]B[5a]MgC)(N[5]C[5]N[5])(C[6a]C[6a]2){1|N<3>,4|H<1>,7|C<3>}	C[6a](B[5a]N[5,5a]N[5a]N[5])(C[6a]C[6a]H)2{1|Mg<6>,1|B<4>,1|C<4>,2|H<1>,2|N<3>,3|C<3>}	N[5,5a](B[5a]C[6a]N[5a]N[5])(N[5,5a]B[5a]C[5])(C[5]C[5]H){1|Mg<6>,1|C<4>,2|H<1>,2|N<3>,4|C<3>}	110.6975	0.118	2	111.1060	0.240	4	110.9382	0.358	10	110.9382	0.358	10	111.1729	1.412	18	110.8523	7.275	217
679	643	813	0:SP3_SP2_SP2	B[5a]	C[6a]	N[5a,5a]	3:3:3:3:	4:3:3:	3:3:4:	N[5a,5a]-3:N[5a,6]-3:C[6a]-3:C[6a]-3:	B[5a]-4:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,5a]-3:B[5a]-4:	B[5a](N[5a,5a]C[5a,5a]C[5a,6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)2	C[6a](B[5a]N[5a,5a]N[5a,6]C[6a])(C[6a]C[6a]H)2	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,6]C[5a])(B[5a]N[5a,6]C[6a]2)	B[5a](N[5a,5a]C[5a,5a]C[5a,6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)2{5|H<1>,9|C<3>}	C[6a](B[5a]N[5a,5a]N[5a,6]C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,6]C[5a])(B[5a]N[5a,6]C[6a]2){2|H<1>,8|C<3>}	112.6220	0.649	6	112.6220	0.421	6	112.6220	0.421	6	112.6220	0.421	6	111.8659	1.895	36	110.8523	7.275	217
679	643	813	0:SP3_SP2_SP2	B[5a]	C[6a]	N[5a,5a]	3:3:3:3:	4:3:3:	3:4:2:	N[5a,5a]-3:N[5a,6]-3:C[6a]-3:C[6a]-3:	B[5a]-4:C[6a]-3:C[6a]-3:	C[5a,5a]-3:B[5a]-4:N[5a]-2:	B[5a](N[5a,5a]C[5a,5a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)2	C[6a](B[5a]N[5a,5a]N[5a,6]C[6a])(C[6a]C[6a]H)2	N[5a,5a](C[5a,5a]C[5a,6]C[5a])(B[5a]N[5a,6]C[6a]2)(N[5a]C[5a])	B[5a](N[5a,5a]C[5a,5a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)2{5|H<1>,8|C<3>}	C[6a](B[5a]N[5a,5a]N[5a,6]C[6a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,6|C<3>}	N[5a,5a](C[5a,5a]C[5a,6]C[5a])(B[5a]N[5a,6]C[6a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,6|C<3>}	111.7830	0.733	4	111.7830	0.538	4	112.0710	0.632	6	112.0710	0.632	6	111.8659	1.895	36	110.8523	7.275	217
679	643	813	0:SP3_SP2_SP2	B[5a]	C[6a]	N[5a,5a]	3:3:3:3:	4:3:3:	3:4:2:	N[5a,5a]-3:N[5a,6]-3:C[6a]-3:C[6a]-3:	B[5a]-4:C[6a]-3:C[6a]-3:	C[5a,5a]-3:B[5a]-4:N[5a]-2:	B[5a](N[5a,5a]C[5a,5a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)2	C[6a](B[5a]N[5a,5a]N[5a,6]C[6a])(C[6a]C[6a]H)2	N[5a,5a](C[5a,5a]C[5a,6]N[5a])(B[5a]N[5a,6]C[6a]2)(N[5a]C[5a])	B[5a](N[5a,5a]C[5a,5a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)2{1|N<2>,5|H<1>,7|C<3>}	C[6a](B[5a]N[5a,5a]N[5a,6]C[6a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,6|C<3>}	N[5a,5a](C[5a,5a]C[5a,6]N[5a])(B[5a]N[5a,6]C[6a]2)(N[5a]C[5a]){1|C<4>,6|C<3>}	112.6470	0.742	2	112.6470	0.551	2	112.0710	0.632	6	112.0710	0.632	6	111.8659	1.895	36	110.8523	7.275	217
679	643	813	0:SP3_SP2_SP2	B[5a]	C[6a]	N[5a,5a]	3:3:3:3:	4:3:3:	3:4:3:	N[5a,5a]-3:N[5a]-3:C[6a]-3:C[6a]-3:	B[5a]-4:C[6a]-3:C[6a]-3:	C[5a,5a]-3:B[5a]-4:C[5a]-3:	B[5a](N[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2)2	C[6a](B[5a]N[5a,5a]C[6a]N[5a])(C[6a]C[6a]H)2	N[5a,5a](C[5a,5a]C[5a,6a]C[5a])(B[5a]C[6a]2N[5a])(C[5a]C[5a,6a]H)	B[5a](N[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2)2{6|H<1>,8|C<3>}	C[6a](B[5a]N[5a,5a]C[6a]N[5a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	N[5a,5a](C[5a,5a]C[5a,6a]C[5a])(B[5a]C[6a]2N[5a])(C[5a]C[5a,6a]H){1|H<1>,7|C<3>}	110.8140	2.283	2	110.8140	5.210	2	110.8140	5.210	2	111.6120	7.912	6	111.8659	1.895	36	110.8523	7.275	217
679	643	813	0:SP3_SP2_SP2	B[5a]	C[6a]	N[5a,5a]	3:3:3:3:	4:3:3:	3:4:3:	N[5a,5a]-3:N[5a]-3:C[6a]-3:C[6a]-3:	B[5a]-4:C[6a]-3:C[6a]-3:	C[5a,6a]-3:B[5a]-4:C[5a,5a]-3:	B[5a](N[5a,5a]C[5a,5a]C[5a,6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2)2	C[6a](B[5a]N[5a,5a]C[6a]N[5a])(C[6a]C[6a]H)2	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]2N[5a])(C[5a,5a]C[5a]2)	B[5a](N[5a,5a]C[5a,5a]C[5a,6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2)2{5|H<1>,9|C<3>}	C[6a](B[5a]N[5a,5a]C[6a]N[5a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]2N[5a])(C[5a,5a]C[5a]2){3|H<1>,7|C<3>}	112.0110	3.288	4	112.0110	10.814	4	112.0110	10.814	4	111.6120	7.912	6	111.8659	1.895	36	110.8523	7.275	217
679	643	813	0:SP3_SP2_SP2	B[5a]	C[6a]	N[5a,5a]	3:3:3:3:	4:3:3:	4:3:3:	N[5a,5a]-3:N[5a]-3:C[6a]-3:C[6a]-3:	B[5a]-4:C[6a]-3:C[6a]-3:	B[5a]-4:C[5a,5a]-3:C[5a]-3:	B[5a](N[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2)2	C[6a](B[5a]N[5a,5a]C[6a]N[5a])(C[6a]C[6a]H)2	N[5a,5a](B[5a]C[6a]2N[5a])(C[5a,5a]C[5a]2)(C[5a]C[5a]H)	B[5a](N[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2)2{6|H<1>,8|C<3>}	C[6a](B[5a]N[5a,5a]C[6a]N[5a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	N[5a,5a](B[5a]C[6a]2N[5a])(C[5a,5a]C[5a]2)(C[5a]C[5a]H){3|H<1>,5|C<3>}	111.4833	0.984	14	111.4833	0.967	14	111.6302	0.966	18	111.6302	0.966	18	111.8659	1.895	36	110.8523	7.275	217
679	643	813	0:SP3_SP2_SP2	B[5a]	C[6a]	N[5a,5a]	3:3:3:3:	4:3:3:	4:3:3:	N[5a,5a]-3:N[5a]-3:C[6a]-3:C[6a]-3:	B[5a]-4:C[6a]-3:C[6a]-3:	B[5a]-4:C[5a,5a]-3:C[5a]-3:	B[5a](N[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]2)2	C[6a](B[5a]N[5a,5a]C[6a]N[5a])(C[6a]C[6a]H)2	N[5a,5a](B[5a]C[6a]2N[5a])(C[5a,5a]C[5a]2)(C[5a]C[5a]C)	B[5a](N[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]2)2{1|B<4>,1|C<4>,5|H<1>,7|C<3>}	C[6a](B[5a]N[5a,5a]C[6a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,6|C<3>}	N[5a,5a](B[5a]C[6a]2N[5a])(C[5a,5a]C[5a]2)(C[5a]C[5a]C){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	112.1442	0.911	4	112.1442	0.831	4	111.6302	0.966	18	111.6302	0.966	18	111.8659	1.895	36	110.8523	7.275	217
679	643	813	0:SP3_SP2_SP2	B[5a]	C[6a]	N[5a,6]	3:2:3:2:	4:3:3:	3:4:3:	N[5a,6]-3:O[5a]-2:C[6a]-3:O-2:	B[5a]-4:C[6a]-3:C[6a]-3:	C[5a,6,6a]-3:B[5a]-4:C[6]-3:	B[5a](N[5a,6]C[5a,6,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)(OB[5a])	C[6a](B[5a]N[5a,6]O[5a]O)(C[6a]C[6a]F)2	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[6a]O[5a]O)(C[6]C[6]H)	B[5a](N[5a,6]C[5a,6,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)(OB[5a]){1|H<1>,2|F<1>,5|C<3>}	C[6a](B[5a]N[5a,6]O[5a]O)(C[6a]C[6a]F)2{2|F<1>,4|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[6a]O[5a]O)(C[6]C[6]H){1|H<1>,5|C<3>}	108.5405	0.482	2	108.5405	0.232	2	108.5405	0.232	2	108.5405	0.232	2	109.9104	9.353	86	110.8523	7.275	217
679	643	813	0:SP3_SP2_SP2	B[5a]	C[6a]	N[5a,6]	3:2:3:3:	4:3:3:	3:4:3:	N[5a,6]-3:O[5a]-2:C[6a]-3:C[6a]-3:	B[5a]-4:C[6a]-3:C[6a]-3:	C[5a,6,6a]-3:B[5a]-4:C[6]-3:	B[5a](N[5a,6]C[5a,6,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)2	C[6a](B[5a]N[5a,6]C[6a]O[5a])(C[6a]C[6a]2)(C[6a]C[6a]F)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[6a]2O[5a])(C[6]C[6]H)	B[5a](N[5a,6]C[5a,6,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)2{1|F<1>,2|H<1>,9|C<3>}	C[6a](B[5a]N[5a,6]C[6a]O[5a])(C[6a]C[6a]2)(C[6a]C[6a]F){2|F<1>,8|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[6a]2O[5a])(C[6]C[6]H){1|H<1>,7|C<3>}	109.3630	0.962	2	109.3630	0.925	2	110.7666	9.688	58	110.7666	9.688	58	109.9104	9.353	86	110.8523	7.275	217
679	643	813	0:SP3_SP2_SP2	B[5a]	C[6a]	N[5a,6]	3:2:3:3:	4:3:3:	3:4:3:	N[5a,6]-3:O[5a]-2:C[6a]-3:C[6a]-3:	B[5a]-4:C[6a]-3:C[6a]-3:	C[5a,6,6a]-3:B[5a]-4:C[6]-3:	B[5a](N[5a,6]C[5a,6,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)2	C[6a](B[5a]N[5a,6]C[6a]O[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[6a]2O[5a])(C[6]C[6]H)	B[5a](N[5a,6]C[5a,6,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)2{1|F<1>,1|N<2>,3|H<1>,7|C<3>}	C[6a](B[5a]N[5a,6]C[6a]O[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,8|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[6a]2O[5a])(C[6]C[6]H){1|H<1>,7|C<3>}	113.8852	2.549	4	113.2463	6.375	8	110.7666	9.688	58	110.7666	9.688	58	109.9104	9.353	86	110.8523	7.275	217
679	643	813	0:SP3_SP2_SP2	B[5a]	C[6a]	N[5a,6]	3:2:3:3:	4:3:3:	3:4:3:	N[5a,6]-3:O[5a]-2:C[6a]-3:C[6a]-3:	B[5a]-4:C[6a]-3:C[6a]-3:	C[5a,6,6a]-3:B[5a]-4:C[6]-3:	B[5a](N[5a,6]C[5a,6,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)2	C[6a](B[5a]N[5a,6]C[6a]O[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[6a]2O[5a])(C[6]C[6]H)	B[5a](N[5a,6]C[5a,6,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)2{1|F<1>,2|H<1>,9|C<3>}	C[6a](B[5a]N[5a,6]C[6a]O[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,8|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[6a]2O[5a])(C[6]C[6]H){1|H<1>,7|C<3>}	110.3575	1.272	2	113.2463	6.375	8	110.7666	9.688	58	110.7666	9.688	58	109.9104	9.353	86	110.8523	7.275	217
679	643	813	0:SP3_SP2_SP2	B[5a]	C[6a]	N[5a,6]	3:2:3:3:	4:3:3:	3:4:3:	N[5a,6]-3:O[5a]-2:C[6a]-3:C[6a]-3:	B[5a]-4:C[6a]-3:C[6a]-3:	C[5a,6,6a]-3:B[5a]-4:C[6]-3:	B[5a](N[5a,6]C[5a,6,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)2	C[6a](B[5a]N[5a,6]C[6a]O[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[6a]2O[5a])(C[6]C[6]H)	B[5a](N[5a,6]C[5a,6,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)2{3|H<1>,9|C<3>}	C[6a](B[5a]N[5a,6]C[6a]O[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,8|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[6a]2O[5a])(C[6]C[6]H){1|H<1>,7|C<3>}	114.8570	0.011	2	113.2463	6.375	8	110.7666	9.688	58	110.7666	9.688	58	109.9104	9.353	86	110.8523	7.275	217
679	643	813	0:SP3_SP2_SP2	B[5a]	C[6a]	N[5a,6]	3:2:3:3:	4:3:3:	3:4:3:	N[5a,6]-3:O[5a]-2:C[6a]-3:C[6a]-3:	B[5a]-4:C[6a]-3:C[6a]-3:	C[5a,6,6a]-3:B[5a]-4:C[6]-3:	B[5a](N[5a,6]C[5a,6,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)2	C[6a](B[5a]N[5a,6]C[6a]O[5a])(C[6a]C[6a]F)2	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[6a]2O[5a])(C[6]C[6]H)	B[5a](N[5a,6]C[5a,6,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)2{1|H<1>,4|F<1>,7|C<3>}	C[6a](B[5a]N[5a,6]C[6a]O[5a])(C[6a]C[6a]F)2{2|F<1>,6|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[6a]2O[5a])(C[6]C[6]H){1|H<1>,7|C<3>}	109.5025	2.620	2	109.5025	6.864	2	110.7666	9.688	58	110.7666	9.688	58	109.9104	9.353	86	110.8523	7.275	217
679	643	813	0:SP3_SP2_SP2	B[5a]	C[6a]	N[5a,6]	3:2:3:3:	4:3:3:	3:4:3:	N[5a,6]-3:O[5a]-2:C[6a]-3:C[6a]-3:	B[5a]-4:C[6a]-3:C[6a]-3:	C[5a,6,6a]-3:B[5a]-4:C[6]-3:	B[5a](N[5a,6]C[5a,6,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)2	C[6a](B[5a]N[5a,6]C[6a]O[5a])(C[6a]C[6a]H)(C[6a]N[6a]F)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[6a]2O[5a])(C[6]C[6]H)	B[5a](N[5a,6]C[5a,6,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)2{1|F<1>,1|N<2>,3|H<1>,7|C<3>}	C[6a](B[5a]N[5a,6]C[6a]O[5a])(C[6a]C[6a]H)(C[6a]N[6a]F){1|H<1>,6|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[6a]2O[5a])(C[6]C[6]H){1|H<1>,7|C<3>}	105.5888	2.179	4	111.7429	21.467	15	110.7666	9.688	58	110.7666	9.688	58	109.9104	9.353	86	110.8523	7.275	217
679	643	813	0:SP3_SP2_SP2	B[5a]	C[6a]	N[5a,6]	3:2:3:3:	4:3:3:	3:4:3:	N[5a,6]-3:O[5a]-2:C[6a]-3:C[6a]-3:	B[5a]-4:C[6a]-3:C[6a]-3:	C[5a,6,6a]-3:B[5a]-4:C[6]-3:	B[5a](N[5a,6]C[5a,6,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)2	C[6a](B[5a]N[5a,6]C[6a]O[5a])(C[6a]C[6a]H)(C[6a]N[6a]F)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[6a]2O[5a])(C[6]C[6]H)	B[5a](N[5a,6]C[5a,6,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)2{1|F<1>,1|N<2>,4|H<1>,6|C<3>}	C[6a](B[5a]N[5a,6]C[6a]O[5a])(C[6a]C[6a]H)(C[6a]N[6a]F){1|H<1>,6|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[6a]2O[5a])(C[6]C[6]H){1|H<1>,7|C<3>}	114.6687	2.648	9	111.7429	21.467	15	110.7666	9.688	58	110.7666	9.688	58	109.9104	9.353	86	110.8523	7.275	217
679	643	813	0:SP3_SP2_SP2	B[5a]	C[6a]	N[5a,6]	3:2:3:3:	4:3:3:	3:4:3:	N[5a,6]-3:O[5a]-2:C[6a]-3:C[6a]-3:	B[5a]-4:C[6a]-3:C[6a]-3:	C[5a,6,6a]-3:B[5a]-4:C[6]-3:	B[5a](N[5a,6]C[5a,6,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)2	C[6a](B[5a]N[5a,6]C[6a]O[5a])(C[6a]C[6a]H)(C[6a]N[6a]F)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[6a]2O[5a])(C[6]C[6]H)	B[5a](N[5a,6]C[5a,6,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)2{2|F<1>,2|N<2>,3|H<1>,5|C<3>}	C[6a](B[5a]N[5a,6]C[6a]O[5a])(C[6a]C[6a]H)(C[6a]N[6a]F){1|H<1>,6|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[6a]2O[5a])(C[6]C[6]H){1|H<1>,7|C<3>}	110.8855	0.457	2	111.7429	21.467	15	110.7666	9.688	58	110.7666	9.688	58	109.9104	9.353	86	110.8523	7.275	217
679	643	813	0:SP3_SP2_SP2	B[5a]	C[6a]	N[5a,6]	3:2:3:3:	4:3:3:	3:4:3:	N[5a,6]-3:O[5a]-2:C[6a]-3:C[6a]-3:	B[5a]-4:C[6a]-3:C[6a]-3:	C[5a,6,6a]-3:B[5a]-4:C[6]-3:	B[5a](N[5a,6]C[5a,6,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)2	C[6a](B[5a]N[5a,6]C[6a]O[5a])(C[6a]C[6a]H)2	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[6a]2O[5a])(C[6]C[6]C)	B[5a](N[5a,6]C[5a,6,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)2{1|C<4>,4|H<1>,7|C<3>}	C[6a](B[5a]N[5a,6]C[6a]O[5a])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[6a]2O[5a])(C[6]C[6]C){1|H<1>,7|C<3>}	111.5375	2.976	2	111.5375	8.858	2	110.7666	9.688	58	110.7666	9.688	58	109.9104	9.353	86	110.8523	7.275	217
679	643	813	0:SP3_SP2_SP2	B[5a]	C[6a]	N[5a,6]	3:2:3:3:	4:3:3:	3:4:3:	N[5a,6]-3:O[5a]-2:C[6a]-3:C[6a]-3:	B[5a]-4:C[6a]-3:C[6a]-3:	C[5a,6,6a]-3:B[5a]-4:C[6]-3:	B[5a](N[5a,6]C[5a,6,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)2	C[6a](B[5a]N[5a,6]C[6a]O[5a])(C[6a]C[6a]H)2	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[6a]2O[5a])(C[6]C[6]H)	B[5a](N[5a,6]C[5a,6,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)2{1|F<1>,1|N<2>,4|H<1>,6|C<3>}	C[6a](B[5a]N[5a,6]C[6a]O[5a])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[6a]2O[5a])(C[6]C[6]H){1|H<1>,7|C<3>}	110.5798	1.375	9	109.7084	3.075	29	110.7666	9.688	58	110.7666	9.688	58	109.9104	9.353	86	110.8523	7.275	217
679	643	813	0:SP3_SP2_SP2	B[5a]	C[6a]	N[5a,6]	3:2:3:3:	4:3:3:	3:4:3:	N[5a,6]-3:O[5a]-2:C[6a]-3:C[6a]-3:	B[5a]-4:C[6a]-3:C[6a]-3:	C[5a,6,6a]-3:B[5a]-4:C[6]-3:	B[5a](N[5a,6]C[5a,6,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)2	C[6a](B[5a]N[5a,6]C[6a]O[5a])(C[6a]C[6a]H)2	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[6a]2O[5a])(C[6]C[6]H)	B[5a](N[5a,6]C[5a,6,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)2{5|H<1>,7|C<3>}	C[6a](B[5a]N[5a,6]C[6a]O[5a])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[6a]2O[5a])(C[6]C[6]H){1|H<1>,7|C<3>}	109.3164	1.793	20	109.7084	3.075	29	110.7666	9.688	58	110.7666	9.688	58	109.9104	9.353	86	110.8523	7.275	217
679	643	813	0:SP3_SP2_SP2	B[5a]	C[6a]	N[5a,6]	3:3:3:3:	4:3:3:	3:4:3:	N[5a,6]-3:N[5a]-3:C[6a]-3:C[6a]-3:	B[5a]-4:C[6a]-3:C[6a]-3:	C[5a,6,6a]-3:B[5a]-4:C[6]-3:	B[5a](N[5a,6]C[5a,6,6a]C[6])(N[5a]C[5a,6a]C)(C[6a]C[6a]2)2	C[6a](B[5a]N[5a,6]C[6a]N[5a])(C[6a]C[6a]H)2	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[6a]2N[5a])(C[6]C[6]H)	B[5a](N[5a,6]C[5a,6,6a]C[6])(N[5a]C[5a,6a]C)(C[6a]C[6a]2)2{5|H<1>,7|C<3>}	C[6a](B[5a]N[5a,6]C[6a]N[5a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[6a]2N[5a])(C[6]C[6]H){1|H<1>,8|C<3>}	107.0645	0.977	12	107.0645	0.955	12	107.0645	0.955	12	107.0645	0.955	12	109.9104	9.353	86	110.8523	7.275	217
679	643	813	0:SP3_SP2_SP2	B[5a]	C[6a]	N[5a,6]	3:3:3:3:	4:3:3:	4:3:3:	N[5a,5a]-3:N[5a,6]-3:C[6a]-3:C[6a]-3:	B[5a]-4:C[6a]-3:C[6a]-3:	B[5a]-4:C[5a,6]-3:C[6]-3:	B[5a](N[5a,5a]C[5a,5a]C[5a,6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)2	C[6a](B[5a]N[5a,5a]N[5a,6]C[6a])(C[6a]C[6a]H)2	N[5a,6](B[5a]N[5a,5a]C[6a]2)(C[5a,6]C[5a,5a]C[6])(C[6]C[6]H)	B[5a](N[5a,5a]C[5a,5a]C[5a,6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)2{5|H<1>,9|C<3>}	C[6a](B[5a]N[5a,5a]N[5a,6]C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	N[5a,6](B[5a]N[5a,5a]C[6a]2)(C[5a,6]C[5a,5a]C[6])(C[6]C[6]H){2|H<1>,7|C<3>}	109.0733	0.638	6	109.0733	0.407	6	109.4075	1.265	12	108.9983	5.917	14	109.9104	9.353	86	110.8523	7.275	217
679	643	813	0:SP3_SP2_SP2	B[5a]	C[6a]	N[5a,6]	3:3:3:3:	4:3:3:	4:3:3:	N[5a,5a]-3:N[5a,6]-3:C[6a]-3:C[6a]-3:	B[5a]-4:C[6a]-3:C[6a]-3:	B[5a]-4:C[5a,6]-3:C[6]-3:	B[5a](N[5a,5a]C[5a,5a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)2	C[6a](B[5a]N[5a,5a]N[5a,6]C[6a])(C[6a]C[6a]H)2	N[5a,6](B[5a]N[5a,5a]C[6a]2)(C[5a,6]C[5a,5a]C[6])(C[6]C[6]H)	B[5a](N[5a,5a]C[5a,5a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)2{1|N<2>,5|H<1>,7|C<3>}	C[6a](B[5a]N[5a,5a]N[5a,6]C[6a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,6|C<3>}	N[5a,6](B[5a]N[5a,5a]C[6a]2)(C[5a,6]C[5a,5a]C[6])(C[6]C[6]H){2|H<1>,2|N<2>,5|C<3>}	109.2500	2.695	2	109.7417	2.108	6	109.4075	1.265	12	108.9983	5.917	14	109.9104	9.353	86	110.8523	7.275	217
679	643	813	0:SP3_SP2_SP2	B[5a]	C[6a]	N[5a,6]	3:3:3:3:	4:3:3:	4:3:3:	N[5a,5a]-3:N[5a,6]-3:C[6a]-3:C[6a]-3:	B[5a]-4:C[6a]-3:C[6a]-3:	B[5a]-4:C[5a,6]-3:C[6]-3:	B[5a](N[5a,5a]C[5a,5a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)2	C[6a](B[5a]N[5a,5a]N[5a,6]C[6a])(C[6a]C[6a]H)2	N[5a,6](B[5a]N[5a,5a]C[6a]2)(C[5a,6]C[5a,5a]C[6])(C[6]C[6]H)	B[5a](N[5a,5a]C[5a,5a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)2{5|H<1>,8|C<3>}	C[6a](B[5a]N[5a,5a]N[5a,6]C[6a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,6|C<3>}	N[5a,6](B[5a]N[5a,5a]C[6a]2)(C[5a,6]C[5a,5a]C[6])(C[6]C[6]H){1|N<2>,2|H<1>,6|C<3>}	109.9875	0.922	4	109.7417	2.108	6	109.4075	1.265	12	108.9983	5.917	14	109.9104	9.353	86	110.8523	7.275	217
679	643	813	0:SP3_SP2_SP2	B[5a]	C[6a]	N[5a,6]	3:3:3:3:	4:3:3:	4:3:3:	N[5a,6a]-3:N[5a,6]-3:C[6a]-3:C[6a]-3:	B[5a]-4:C[6a]-3:C[6a]-3:	B[5a]-4:C[5a,6]-3:C[6]-3:	B[5a](N[5a,6a]C[5a,6a]B[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)2	C[6a](B[5a]N[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]C)2	N[5a,6](B[5a]N[5a,6a]C[6a]2)(C[5a,6]C[5a,6a]C[6])(C[6]C[6]H)	B[5a](N[5a,6a]C[5a,6a]B[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)2{1|H<1>,5|C<4>,8|C<3>}	C[6a](B[5a]N[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]C)2{1|B<3>,2|H<1>,6|C<3>}	N[5a,6](B[5a]N[5a,6a]C[6a]2)(C[5a,6]C[5a,6a]C[6])(C[6]C[6]H){1|B<3>,2|H<1>,6|C<3>}	106.5430	6.996	2	106.5430	48.946	2	106.5430	48.946	2	108.9983	5.917	14	109.9104	9.353	86	110.8523	7.275	217
679	643	813	0:SP3_SP2_SP2	B[5a]	C[6a]	N[5a,6a]	3:3:3:3:	4:3:3:	3:4:3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:N[5a]-3:	B[5a]-4:C[6a]-3:C[6a]-3:	C[5a,6a]-3:B[5a]-4:C[6a]-3:	B[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)2(N[5a]C[5a]H)	C[6a](B[5a]N[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)2	N[5a,6a](C[5a,6a]C[5a]C[6a])(B[5a]C[6a]2N[5a])(C[6a]C[6a]H)	B[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)2(N[5a]C[5a]H){5|H<1>,7|C<3>}	C[6a](B[5a]N[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)2{3|H<1>,6|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(B[5a]C[6a]2N[5a])(C[6a]C[6a]H){3|H<1>,6|C<3>}	110.9393	0.694	6	110.9393	0.481	6	110.9393	0.481	6	111.4486	5.758	8	111.4486	5.758	8	110.8523	7.275	217
679	643	813	0:SP3_SP2_SP2	B[5a]	C[6a]	N[5a,6a]	3:3:3:3:	4:3:3:	3:4:3:	N[5a,6a]-3:N[5a,6]-3:C[6a]-3:C[6a]-3:	B[5a]-4:C[6a]-3:C[6a]-3:	C[5a,6a]-3:B[5a]-4:B[6a]-3:	B[5a](N[5a,6a]C[5a,6a]B[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)2	C[6a](B[5a]N[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]C)2	N[5a,6a](C[5a,6a]C[5a,6]C[6a])(B[5a]N[5a,6]C[6a]2)(B[6a]C[6a]C)	B[5a](N[5a,6a]C[5a,6a]B[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)2{1|H<1>,5|C<4>,8|C<3>}	C[6a](B[5a]N[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]C)2{1|B<3>,2|H<1>,6|C<3>}	N[5a,6a](C[5a,6a]C[5a,6]C[6a])(B[5a]N[5a,6]C[6a]2)(B[6a]C[6a]C){2|H<1>,7|C<3>}	112.9765	5.628	2	112.9765	31.673	2	112.9765	31.673	2	111.4486	5.758	8	111.4486	5.758	8	110.8523	7.275	217
679	643	813	0:SP3_SP2_SP2	B[5a]	C[6a]	N[5a]	3:2:3:3:	4:3:3:	3:4:3:	N[5a]-3:O[5a]-2:C[6a]-3:C[6a]-3:	B[5a]-4:C[6a]-3:C[6a]-3:	C[5a,6a]-3:B[5a]-4:C[6a]-3:	B[5a](N[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)2	C[6a](B[5a]C[6a]N[5a]O[5a])(C[6a]C[6a]F)2	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(B[5a]C[6a]2O[5a])(C[6a]C[6a]2)	B[5a](N[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)2{4|F<1>,8|C<3>}	C[6a](B[5a]C[6a]N[5a]O[5a])(C[6a]C[6a]F)2{2|F<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(B[5a]C[6a]2O[5a])(C[6a]C[6a]2){2|C<4>,9|C<3>}	112.0500	3.415	2	112.0500	11.664	2	112.0500	11.664	2	112.0500	11.664	2	111.5081	8.329	55	110.8523	7.275	217
679	643	813	0:SP3_SP2_SP2	B[5a]	C[6a]	N[5a]	3:3:3:1:	4:3:3:	3:4:3:	N[5a]-3:N[5a]-3:C[6a]-3:Br-1:	B[5a]-4:C[6a]-3:C[6a]-3:	C[5a,5a]-3:B[5a]-4:C[6a]-3:	B[5a](N[5a]C[5a,5a]C[6a])2(C[6a]C[6a]2)(Br)	C[6a](B[5a]N[5a]2Br)(C[6a]C[6a]H)2	N[5a](C[5a,5a]C[5a,5a]N[5a])(B[5a]C[6a]N[5a]Br)(C[6a]C[6a]2)	B[5a](N[5a]C[5a,5a]C[6a])2(C[6a]C[6a]2)(Br){2|H<1>,2|N<3>,6|C<3>}	C[6a](B[5a]N[5a]2Br)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	N[5a](C[5a,5a]C[5a,5a]N[5a])(B[5a]C[6a]N[5a]Br)(C[6a]C[6a]2){1|B<4>,1|N<3>,2|C<4>,6|C<3>}	119.8765	0.890	2	119.8765	0.793	2	119.8765	0.793	2	119.8765	0.793	2	111.5081	8.329	55	110.8523	7.275	217
679	643	813	0:SP3_SP2_SP2	B[5a]	C[6a]	N[5a]	3:3:3:1:	4:3:3:	4:3:3:	C[5,5a]-3:N[5a]-3:C[6a]-3:F-1:	B[5a]-4:C[6a]-3:C[6a]-3:	B[5a]-4:C[5a]-3:C[6a]-3:	B[5a](C[5,5a]N[5,5a]N[5])(N[5a]C[5a]C[6a])(C[6a]C[6a]2)(F)	C[6a](B[5a]C[5,5a]N[5a]F)(C[6a]C[6a]C)2	N[5a](B[5a]C[5,5a]C[6a]F)(C[5a]N[5,5a]C)(C[6a]C[6a]2)	B[5a](C[5,5a]N[5,5a]N[5])(N[5a]C[5a]C[6a])(C[6a]C[6a]2)(F){4|C<3>,6|C<4>}	C[6a](B[5a]C[5,5a]N[5a]F)(C[6a]C[6a]C)2{2|H<1>,2|N<3>,3|C<3>}	N[5a](B[5a]C[5,5a]C[6a]F)(C[5a]N[5,5a]C)(C[6a]C[6a]2){1|N<3>,3|C<4>,4|C<3>}	112.3640	0.000	1	112.3640	0.000	1	112.3640	0.000	1	112.3640	0.000	1	111.5081	8.329	55	110.8523	7.275	217
679	643	813	0:SP3_SP2_SP2	B[5a]	C[6a]	N[5a]	3:3:3:3:	4:3:3:	3:4:3:	N[5a,6]-3:N[5a]-3:C[6a]-3:C[6a]-3:	B[5a]-4:C[6a]-3:C[6a]-3:	C[5a,6a]-3:B[5a]-4:C-3:	B[5a](N[5a,6]C[5a,6,6a]C[6])(N[5a]C[5a,6a]C)(C[6a]C[6a]2)2	C[6a](B[5a]N[5a,6]C[6a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(B[5a]N[5a,6]C[6a]2)(CCO)	B[5a](N[5a,6]C[5a,6,6a]C[6])(N[5a]C[5a,6a]C)(C[6a]C[6a]2)2{5|H<1>,7|C<3>}	C[6a](B[5a]N[5a,6]C[6a]N[5a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(B[5a]N[5a,6]C[6a]2)(CCO){1|H<1>,7|C<3>}	113.1381	1.319	12	113.1381	1.740	12	113.1381	1.740	12	113.1381	1.740	12	111.5081	8.329	55	110.8523	7.275	217
679	643	813	0:SP3_SP2_SP2	B[5a]	C[6a]	N[5a]	3:3:3:3:	4:3:3:	4:3:1:	N[5a,6a]-3:C[6a]-3:C[6a]-3:N[5a]-3:	B[5a]-4:C[6a]-3:C[6a]-3:	B[5a]-4:C[5a]-3:H-1:	B[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)2(N[5a]C[5a]H)	C[6a](B[5a]N[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)2	N[5a](B[5a]N[5a,6a]C[6a]2)(C[5a]C[5a,6a]C[6a])(H)	B[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)2(N[5a]C[5a]H){5|H<1>,7|C<3>}	C[6a](B[5a]N[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)2{3|H<1>,6|C<3>}	N[5a](B[5a]N[5a,6a]C[6a]2)(C[5a]C[5a,6a]C[6a])(H){8|C<3>}	111.1662	2.887	6	111.1662	8.337	6	111.1662	8.337	6	111.1662	8.337	6	111.5081	8.329	55	110.8523	7.275	217
679	643	813	0:SP3_SP2_SP2	B[5a]	C[6a]	N[5a]	3:3:3:3:	4:3:3:	4:3:3:	N[5a,5a]-3:N[5a]-3:C[6a]-3:C[6a]-3:	B[5a]-4:C[6a]-3:C[6a]-3:	B[5a]-4:C[5a]-3:C[6a]-3:	B[5a](N[5a,5a]C[5a,5a]C[5a,6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2)2	C[6a](B[5a]N[5a,5a]C[6a]N[5a])(C[6a]C[6a]H)2	N[5a](B[5a]N[5a,5a]C[6a]2)(C[5a]C[5a,5a]H)(C[6a]C[6a]2)	B[5a](N[5a,5a]C[5a,5a]C[5a,6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2)2{5|H<1>,9|C<3>}	C[6a](B[5a]N[5a,5a]C[6a]N[5a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	N[5a](B[5a]N[5a,5a]C[6a]2)(C[5a]C[5a,5a]H)(C[6a]C[6a]2){2|C<4>,8|C<3>}	110.5445	1.766	2	110.3102	1.222	4	110.4934	2.605	20	110.3000	2.370	24	111.5081	8.329	55	110.8523	7.275	217
679	643	813	0:SP3_SP2_SP2	B[5a]	C[6a]	N[5a]	3:3:3:3:	4:3:3:	4:3:3:	N[5a,5a]-3:N[5a]-3:C[6a]-3:C[6a]-3:	B[5a]-4:C[6a]-3:C[6a]-3:	B[5a]-4:C[5a]-3:C[6a]-3:	B[5a](N[5a,5a]C[5a,5a]C[5a,6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2)2	C[6a](B[5a]N[5a,5a]C[6a]N[5a])(C[6a]C[6a]H)2	N[5a](B[5a]N[5a,5a]C[6a]2)(C[5a]C[5a,5a]H)(C[6a]C[6a]2)	B[5a](N[5a,5a]C[5a,5a]C[5a,6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2)2{5|H<1>,9|C<3>}	C[6a](B[5a]N[5a,5a]C[6a]N[5a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	N[5a](B[5a]N[5a,5a]C[6a]2)(C[5a]C[5a,5a]H)(C[6a]C[6a]2){2|H<1>,8|C<3>}	110.0760	0.574	2	110.3102	1.222	4	110.4934	2.605	20	110.3000	2.370	24	111.5081	8.329	55	110.8523	7.275	217
679	643	813	0:SP3_SP2_SP2	B[5a]	C[6a]	N[5a]	3:3:3:3:	4:3:3:	4:3:3:	N[5a,5a]-3:N[5a]-3:C[6a]-3:C[6a]-3:	B[5a]-4:C[6a]-3:C[6a]-3:	B[5a]-4:C[5a]-3:C[6a]-3:	B[5a](N[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2)2	C[6a](B[5a]N[5a,5a]C[6a]N[5a])(C[6a]C[6a]H)2	N[5a](B[5a]N[5a,5a]C[6a]2)(C[5a]C[5a,5a]H)(C[6a]C[6a]2)	B[5a](N[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2)2{6|H<1>,8|C<3>}	C[6a](B[5a]N[5a,5a]C[6a]N[5a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	N[5a](B[5a]N[5a,5a]C[6a]2)(C[5a]C[5a,5a]H)(C[6a]C[6a]2){1|Br<1>,1|H<1>,8|C<3>}	110.0433	1.545	8	110.5391	3.044	16	110.4934	2.605	20	110.3000	2.370	24	111.5081	8.329	55	110.8523	7.275	217
679	643	813	0:SP3_SP2_SP2	B[5a]	C[6a]	N[5a]	3:3:3:3:	4:3:3:	4:3:3:	N[5a,5a]-3:N[5a]-3:C[6a]-3:C[6a]-3:	B[5a]-4:C[6a]-3:C[6a]-3:	B[5a]-4:C[5a]-3:C[6a]-3:	B[5a](N[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2)2	C[6a](B[5a]N[5a,5a]C[6a]N[5a])(C[6a]C[6a]H)2	N[5a](B[5a]N[5a,5a]C[6a]2)(C[5a]C[5a,5a]H)(C[6a]C[6a]2)	B[5a](N[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2)2{6|H<1>,8|C<3>}	C[6a](B[5a]N[5a,5a]C[6a]N[5a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	N[5a](B[5a]N[5a,5a]C[6a]2)(C[5a]C[5a,5a]H)(C[6a]C[6a]2){2|H<1>,8|C<3>}	111.0350	1.891	8	110.5391	3.044	16	110.4934	2.605	20	110.3000	2.370	24	111.5081	8.329	55	110.8523	7.275	217
679	643	813	0:SP3_SP2_SP2	B[5a]	C[6a]	N[5a]	3:3:3:3:	4:3:3:	4:3:3:	N[5a,5a]-3:N[5a]-3:C[6a]-3:C[6a]-3:	B[5a]-4:C[6a]-3:C[6a]-3:	B[5a]-4:N[5a]-3:C[5a]-3:	B[5a](N[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]2)2	C[6a](B[5a]N[5a,5a]C[6a]N[5a])(C[6a]C[6a]H)2	N[5a](B[5a]N[5a,5a]C[6a]2)(N[5a]B[5a]C[5a])(C[5a]C[5a,5a]H)	B[5a](N[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]2)2{1|B<4>,1|C<4>,5|H<1>,7|C<3>}	C[6a](B[5a]N[5a,5a]C[6a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,6|C<3>}	N[5a](B[5a]N[5a,5a]C[6a]2)(N[5a]B[5a]C[5a])(C[5a]C[5a,5a]H){1|H<1>,1|N<3>,9|C<3>}	109.3335	0.422	4	109.3335	0.178	4	109.3335	0.178	4	110.3000	2.370	24	111.5081	8.329	55	110.8523	7.275	217
679	643	813	0:SP3_SP2_SP2	B[5a]	C[6a]	N[5a]	3:3:3:3:	4:3:3:	4:3:4:	C[5a]-3:C[6a]-3:C[6a]-3:N[5a]-3:	B[5a]-4:C[6a]-3:C[6a]-3:	B[5a]-4:C[5a]-3:C-4:	B[5a](C[5a]N[5a]N)(C[6a]C[6a]2)2(N[5a]C[5a]C)	C[6a](B[5a]C[5a]C[6a]N[5a])(C[6a]C[6a]F)2	N[5a](B[5a]C[5a]C[6a]2)(C[5a]N[5a]H)(CCCH)	B[5a](C[5a]N[5a]N)(C[6a]C[6a]2)2(N[5a]C[5a]C){1|C<4>,1|H<1>,4|C<3>,4|F<1>}	C[6a](B[5a]C[5a]C[6a]N[5a])(C[6a]C[6a]F)2{1|C<4>,1|N<2>,1|N<3>,2|F<1>,4|C<3>}	N[5a](B[5a]C[5a]C[6a]2)(C[5a]N[5a]H)(CCCH){1|C<4>,1|N<2>,4|C<3>}	108.5330	5.262	2	108.5330	27.692	2	108.5330	27.692	2	108.5330	27.692	2	111.5081	8.329	55	110.8523	7.275	217
679	643	813	0:SP3_SP2_SP2	B[5a]	C[6a]	N[5a]	3:3:3:3:	4:3:3:	4:4:2:	N[5,5a]-3:C[6a]-3:C[6a]-3:N[5a]-3:	B[5a]-4:C[6a]-3:C[6a]-3:	B[5a]-4:B[5a]-4:N-2:	B[5a](N[5,5a]N[5,5a]C[5])(C[6a]C[6a]2)2(N[5a]B[5a]N)	C[6a](B[5a]N[5,5a]C[6a]N[5a])(C[6a]C[6a]F)2	N[5a](B[5a]N[5,5a]C[6a]2)2(NN)	B[5a](N[5,5a]N[5,5a]C[5])(C[6a]C[6a]2)2(N[5a]B[5a]N){1|N<2>,4|F<1>,8|C<3>}	C[6a](B[5a]N[5,5a]C[6a]N[5a])(C[6a]C[6a]F)2{1|B<4>,1|N<2>,1|N<3>,2|F<1>,4|C<3>}	N[5a](B[5a]N[5,5a]C[6a]2)2(NN){1|N<2>,9|C<3>}	110.0515	5.537	2	110.0515	30.662	2	110.5927	20.370	4	110.5927	20.370	4	111.5081	8.329	55	110.8523	7.275	217
679	643	813	0:SP3_SP2_SP2	B[5a]	C[6a]	N[5a]	3:3:3:3:	4:3:3:	4:4:2:	N[5,5a]-3:C[6a]-3:C[6a]-3:N[5a]-3:	B[5a]-4:C[6a]-3:C[6a]-3:	B[5a]-4:B[5a]-4:N-2:	B[5a](N[5,5a]N[5,5a]N[5])(C[6a]C[6a]2)2(N[5a]B[5a]N)	C[6a](B[5a]N[5,5a]C[6a]N[5a])(C[6a]C[6a]F)2	N[5a](B[5a]N[5,5a]C[6a]2)2(NN)	B[5a](N[5,5a]N[5,5a]N[5])(C[6a]C[6a]2)2(N[5a]B[5a]N){4|F<1>,8|C<3>}	C[6a](B[5a]N[5,5a]C[6a]N[5a])(C[6a]C[6a]F)2{1|B<4>,1|N<3>,2|F<1>,2|N<2>,3|C<3>}	N[5a](B[5a]N[5,5a]C[6a]2)2(NN){1|N<2>,9|C<3>}	111.1340	5.411	2	111.1340	29.277	2	110.5927	20.370	4	110.5927	20.370	4	111.5081	8.329	55	110.8523	7.275	217
679	643	813	0:SP3_SP2_SP2	B[5a]	C[6a]	N[5a]	3:3:4:3:	4:3:3:	4:3:2:	N[5,5a]-3:N[5a]-3:N[5a]-4:C[6a]-3:	B[5a]-4:C[6a]-3:C[6a]-3:	B[5a]-4:C[5a]-3:N[5a]-2:	B[5a](N[5,5a]N[5,5a]C[5])(N[5a]C[5a]N[5a])(N[5a]B[5a]CH)(C[6a]C[6a]2)	C[6a](B[5a]N[5,5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](B[5a]N[5,5a]C[6a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a])	B[5a](N[5,5a]N[5,5a]C[5])(N[5a]C[5a]N[5a])(N[5a]B[5a]CH)(C[6a]C[6a]2){1|N<3>,4|H<1>,7|C<3>}	C[6a](B[5a]N[5,5a]N[5a]2)(C[6a]C[6a]H)2{1|B<4>,1|C<4>,1|N<2>,1|N<3>,3|C<3>,3|H<1>}	N[5a](B[5a]N[5,5a]C[6a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]){1|B<4>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	112.7190	0.402	2	112.7190	0.161	2	112.7190	0.161	2	112.7190	0.161	2	111.5081	8.329	55	110.8523	7.275	217
679	643	813	0:SP3_SP2_SP3	B[5a,5a]	C[6a]	N[5a,5a]	3:2:3:2:	4:3:3:	3:4:3:	N[5a,5a]-3:O[5a]-2:C[6a]-3:O[5a]-2:	B[5a,5a]-4:C[6a]-3:C[6a]-3:	C[5a,6a]-3:B[5a,5a]-4:C[5a]-3:	B[5a,5a](N[5a,5a]C[5a,6a]C[5a])(O[5a]C[5a,6a])(C[6a]C[6a]2)(O[5a]N[5a])	C[6a](B[5a,5a]N[5a,5a]O[5a]2)(C[6a]C[6a]H)2	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,5a]C[6a]O[5a]2)(C[5a]C[6a]N[5a])	B[5a,5a](N[5a,5a]C[5a,6a]C[5a])(O[5a]C[5a,6a])(C[6a]C[6a]2)(O[5a]N[5a]){2|H<1>,5|C<3>}	C[6a](B[5a,5a]N[5a,5a]O[5a]2)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,5a]C[6a]O[5a]2)(C[5a]C[6a]N[5a]){1|H<1>,6|C<3>}	119.4840	0.000	1	119.4840	0.000	1	119.4840	0.000	1	119.4840	0.000	1	119.4840	0.000	1	119.4840	0.000	1
679	643	813	6:SP3_SP2_SP2	B[5,6a]	C[6a,6a]	N[5,6a]	3:3:3:2:	4:3:3:	4:3:2:	C[6a,6a]-3:N[5,6]-3:N[5,6a]-3:O-2:	B[5,6a]-4:C[6a,6a]-3:C[6a]-3:	B[5,6a]-4:C[5]-3:N[6a]-2:	B[5,6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6]C[5,6]C[6])(N[5,6a]N[6a]C[5])(OH)	C[6a,6a](B[5,6a]N[5,6a]N[5,6]O)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5,6a](B[5,6a]C[6a,6a]N[5,6]O)(C[5]C[5,6]O)(N[6a]C[6a])	B[5,6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6]C[5,6]C[6])(N[5,6a]N[6a]C[5])(OH){1|O<1>,2|H<1>,5|C<3>}	C[6a,6a](B[5,6a]N[5,6a]N[5,6]O)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	N[5,6a](B[5,6a]C[6a,6a]N[5,6]O)(C[5]C[5,6]O)(N[6a]C[6a]){1|H<1>,4|C<3>}	105.2500	0.000	1	105.2500	0.000	1	105.2500	0.000	1	105.2500	0.000	1	106.7262	1.013	5	106.7262	1.013	5
679	643	813	6:SP3_SP2_SP2	B[5,6a]	C[6a,6a]	N[5,6a]	3:3:4:2:	4:3:3:	4:2:3:	C[6a,6a]-3:N[5,6a]-3:N[5]-4:O-2:	B[5,6a]-4:C[6a,6a]-3:C[6a]-3:	B[5,6a]-4:N[6a]-2:C[5]-3:	B[5,6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[6a]C[5])(N[5]C[5]CC)(OH)	C[6a,6a](B[5,6a]N[5,6a]N[5]O)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5,6a](B[5,6a]C[6a,6a]N[5]O)(N[6a]C[6a])(C[5]C[5]O)	B[5,6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[6a]C[5])(N[5]C[5]CC)(OH){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a,6a](B[5,6a]N[5,6a]N[5]O)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,3|C<4>,3|H<1>}	N[5,6a](B[5,6a]C[6a,6a]N[5]O)(N[6a]C[6a])(C[5]C[5]O){2|C<3>,2|H<1>,3|C<4>}	107.9040	0.000	1	107.9040	0.000	1	107.0952	0.443	4	107.0952	0.443	4	106.7262	1.013	5	106.7262	1.013	5
679	643	813	6:SP3_SP2_SP2	B[5,6a]	C[6a,6a]	N[5,6a]	3:3:4:2:	4:3:3:	4:2:3:	C[6a,6a]-3:N[5,6a]-3:N[5]-4:O-2:	B[5,6a]-4:C[6a,6a]-3:C[6a]-3:	B[5,6a]-4:N[6a]-2:C[5]-3:	B[5,6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[6a]C[5])(N[5]C[5]HH)(OH)	C[6a,6a](B[5,6a]N[5,6a]N[5]O)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5,6a](B[5,6a]C[6a,6a]N[5]O)(N[6a]C[6a])(C[5]C[5]O)	B[5,6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[6a]C[5])(N[5]C[5]HH)(OH){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a,6a](B[5,6a]N[5,6a]N[5]O)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,5|H<1>}	N[5,6a](B[5,6a]C[6a,6a]N[5]O)(N[6a]C[6a])(C[5]C[5]O){1|C<4>,2|C<3>,4|H<1>}	106.5410	0.000	1	106.8257	0.229	3	107.0952	0.443	4	107.0952	0.443	4	106.7262	1.013	5	106.7262	1.013	5
679	643	813	6:SP3_SP2_SP2	B[5,6a]	C[6a,6a]	N[5,6a]	3:3:4:2:	4:3:3:	4:2:3:	C[6a,6a]-3:N[5,6a]-3:N[5]-4:O-2:	B[5,6a]-4:C[6a,6a]-3:C[6a]-3:	B[5,6a]-4:N[6a]-2:C[5]-3:	B[5,6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[6a]C[5])(N[5]C[5]HH)(OH)	C[6a,6a](B[5,6a]N[5,6a]N[5]O)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5,6a](B[5,6a]C[6a,6a]N[5]O)(N[6a]C[6a])(C[5]C[5]O)	B[5,6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[6a]C[5])(N[5]C[5]HH)(OH){1|O<1>,3|C<3>,3|H<1>}	C[6a,6a](B[5,6a]N[5,6a]N[5]O)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,5|H<1>}	N[5,6a](B[5,6a]C[6a,6a]N[5]O)(N[6a]C[6a])(C[5]C[5]O){2|C<3>,5|H<1>}	107.3780	0.000	1	106.8257	0.229	3	107.0952	0.443	4	107.0952	0.443	4	106.7262	1.013	5	106.7262	1.013	5
679	643	813	6:SP3_SP2_SP2	B[5,6a]	C[6a,6a]	N[5,6a]	3:3:4:2:	4:3:3:	4:2:3:	C[6a,6a]-3:N[5,6a]-3:N[5]-4:O-2:	B[5,6a]-4:C[6a,6a]-3:C[6a]-3:	B[5,6a]-4:N[6a]-2:C[5]-3:	B[5,6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[6a]C[5])(N[5]C[5]HH)(OH)	C[6a,6a](B[5,6a]N[5,6a]N[5]O)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5,6a](B[5,6a]C[6a,6a]N[5]O)(N[6a]C[6a])(C[5]C[5]O)	B[5,6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[6a]C[5])(N[5]C[5]HH)(OH){1|O<1>,3|C<3>,3|H<1>}	C[6a,6a](B[5,6a]N[5,6a]N[5]O)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|C<4>,4|H<1>}	N[5,6a](B[5,6a]C[6a,6a]N[5]O)(N[6a]C[6a])(C[5]C[5]O){1|C<4>,2|C<3>,4|H<1>}	106.5580	0.000	1	106.8257	0.229	3	107.0952	0.443	4	107.0952	0.443	4	106.7262	1.013	5	106.7262	1.013	5
679	643	830	0:SP3_SP-NON_SP2	B[5a]	C[6a]	F	3:3:3:1:	4:3:3:	4:	C[5,5a]-3:N[5a]-3:C[6a]-3:F-1:	B[5a]-4:C[6a]-3:C[6a]-3:	B[5a]-4:	B[5a](C[5,5a]N[5,5a]N[5])(N[5a]C[5a]C[6a])(C[6a]C[6a]2)(F)	C[6a](B[5a]C[5,5a]N[5a]F)(C[6a]C[6a]C)2	F(B[5a]C[5,5a]C[6a]N[5a])	B[5a](C[5,5a]N[5,5a]N[5])(N[5a]C[5a]C[6a])(C[6a]C[6a]2)(F){4|C<3>,6|C<4>}	C[6a](B[5a]C[5,5a]N[5a]F)(C[6a]C[6a]C)2{2|H<1>,2|N<3>,3|C<3>}	F(B[5a]C[5,5a]C[6a]N[5a])	114.5120	0.000	1	114.5120	0.000	1	114.5120	0.000	1	114.5120	0.000	1	114.5120	0.000	1	114.5120	0.000	1
679	643	856	0:SP3_SP2_SP2	B[5a]	C[6a]	N[6]	2:2:3:3:	4:3:3:	4:3:3:	O[5a]-2:O[5a]-2:C[6a]-3:N[6]-3:	B[5a]-4:C[6a]-3:C[6a]-3:	B[5a]-4:C[6]-3:C[6]-3:	B[5a](O[5a]C[5a,6a])2(C[6a]C[6a]2)(N[6]C[6]2)	C[6a](B[5a]O[5a]2N[6])(C[6a]C[6a]H)2	N[6](B[5a]C[6a]O[5a]2)(C[6]C[6]H)2	B[5a](O[5a]C[5a,6a])2(C[6a]C[6a]2)(N[6]C[6]2){4|H<1>,6|C<3>}	C[6a](B[5a]O[5a]2N[6])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	N[6](B[5a]C[6a]O[5a]2)(C[6]C[6]H)2{2|H<1>,5|C<3>}	108.0537	1.587	3	108.0537	2.518	3	108.0537	2.518	3	108.0537	2.518	3	109.2682	7.579	4	109.2682	7.579	4
679	643	856	0:SP3_SP2_SP2	B[5a]	C[6a]	N[6]	3:2:2:3:	4:3:3:	3:4:3:	N[6]-3:O[5a]-2:O[5a]-2:C[6a]-3:	B[5a]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:B[5a]-4:C[6]-3:	B[5a](N[6]C[5a,6]C[6])(O[5a]C[5a,6])2(C[6a]C[6a]2)	C[6a](B[5a]O[5a]2N[6])(C[6a]C[6a]H)2	N[6](C[5a,6]C[5a,6]O[5a])(B[5a]C[6a]O[5a]2)(C[6]C[6]H)	B[5a](N[6]C[5a,6]C[6])(O[5a]C[5a,6])2(C[6a]C[6a]2){1|N<3>,1|O<2>,3|H<1>,5|C<3>}	C[6a](B[5a]O[5a]2N[6])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	N[6](C[5a,6]C[5a,6]O[5a])(B[5a]C[6a]O[5a]2)(C[6]C[6]H){1|B<4>,1|H<1>,1|O<2>,5|C<3>}	112.9120	0.000	1	112.9120	0.000	1	112.9120	0.000	1	112.9120	0.000	1	109.2682	7.579	4	109.2682	7.579	4
679	643	856	6:SP3_SP2_SP2	B[5a,6]	C[6,6a]	N[6]	3:2:2:3:	4:3:3:	4:3:1:	C[6,6a]-3:O[5a]-2:O[5a]-2:N[6]-3:	B[5a,6]-4:C[6,6a]-3:C[6a]-3:	B[5a,6]-4:C[6]-3:H-1:	B[5a,6](C[6,6a]C[6,6a]C[6a])(O[5a]C[5a,6a])2(N[6]C[6]H)	C[6,6a](B[5a,6]O[5a]2N[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](B[5a,6]C[6,6a]O[5a]2)(C[6]N[6]C)(H)	B[5a,6](C[6,6a]C[6,6a]C[6a])(O[5a]C[5a,6a])2(N[6]C[6]H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6,6a](B[5a,6]O[5a]2N[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){4|C<3>,4|H<1>}	N[6](B[5a,6]C[6,6a]O[5a]2)(C[6]N[6]C)(H){1|H<1>,4|C<3>}	107.6490	0.000	1	107.6490	0.000	1	107.6490	0.000	1	107.6490	0.000	1	107.6490	0.000	1	107.6490	0.000	1
679	643	893	0:SP3_SP2_SP3	B[5,6a]	C[6a,6a]	O	3:3:3:2:	4:3:3:	4:1:	C[6a,6a]-3:N[5,6]-3:N[5,6a]-3:O-2:	B[5,6a]-4:C[6a,6a]-3:C[6a]-3:	B[5,6a]-4:H-1:	B[5,6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6]C[5,6]C[6])(N[5,6a]N[6a]C[5])(OH)	C[6a,6a](B[5,6a]N[5,6a]N[5,6]O)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	O(B[5,6a]C[6a,6a]N[5,6a]N[5,6])(H)	B[5,6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6]C[5,6]C[6])(N[5,6a]N[6a]C[5])(OH){1|O<1>,2|H<1>,5|C<3>}	C[6a,6a](B[5,6a]N[5,6a]N[5,6]O)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	O(B[5,6a]C[6a,6a]N[5,6a]N[5,6])(H)	117.4250	0.000	1	117.4250	0.000	1	117.4250	0.000	1	117.4250	0.000	1	115.6392	1.955	5	111.9900	13.099	13
679	643	893	0:SP3_SP2_SP3	B[5,6a]	C[6a,6a]	O	3:3:4:2:	4:3:3:	4:1:	C[6a,6a]-3:N[5,6a]-3:N[5]-4:O-2:	B[5,6a]-4:C[6a,6a]-3:C[6a]-3:	B[5,6a]-4:H-1:	B[5,6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[6a]C[5])(N[5]C[5]CC)(OH)	C[6a,6a](B[5,6a]N[5,6a]N[5]O)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	O(B[5,6a]C[6a,6a]N[5,6a]N[5])(H)	B[5,6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[6a]C[5])(N[5]C[5]CC)(OH){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a,6a](B[5,6a]N[5,6a]N[5]O)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,3|C<4>,3|H<1>}	O(B[5,6a]C[6a,6a]N[5,6a]N[5])(H)	115.3440	0.000	1	115.3440	0.000	1	115.1927	1.278	4	115.1927	1.278	4	115.6392	1.955	5	111.9900	13.099	13
679	643	893	0:SP3_SP2_SP3	B[5,6a]	C[6a,6a]	O	3:3:4:2:	4:3:3:	4:1:	C[6a,6a]-3:N[5,6a]-3:N[5]-4:O-2:	B[5,6a]-4:C[6a,6a]-3:C[6a]-3:	B[5,6a]-4:H-1:	B[5,6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[6a]C[5])(N[5]C[5]HH)(OH)	C[6a,6a](B[5,6a]N[5,6a]N[5]O)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	O(B[5,6a]C[6a,6a]N[5,6a]N[5])(H)	B[5,6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[6a]C[5])(N[5]C[5]HH)(OH){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a,6a](B[5,6a]N[5,6a]N[5]O)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,5|H<1>}	O(B[5,6a]C[6a,6a]N[5,6a]N[5])(H)	116.5680	0.000	1	115.1423	1.902	3	115.1927	1.278	4	115.1927	1.278	4	115.6392	1.955	5	111.9900	13.099	13
679	643	893	0:SP3_SP2_SP3	B[5,6a]	C[6a,6a]	O	3:3:4:2:	4:3:3:	4:1:	C[6a,6a]-3:N[5,6a]-3:N[5]-4:O-2:	B[5,6a]-4:C[6a,6a]-3:C[6a]-3:	B[5,6a]-4:H-1:	B[5,6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[6a]C[5])(N[5]C[5]HH)(OH)	C[6a,6a](B[5,6a]N[5,6a]N[5]O)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	O(B[5,6a]C[6a,6a]N[5,6a]N[5])(H)	B[5,6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[6a]C[5])(N[5]C[5]HH)(OH){1|O<1>,3|C<3>,3|H<1>}	C[6a,6a](B[5,6a]N[5,6a]N[5]O)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,5|H<1>}	O(B[5,6a]C[6a,6a]N[5,6a]N[5])(H)	113.8150	0.000	1	115.1423	1.902	3	115.1927	1.278	4	115.1927	1.278	4	115.6392	1.955	5	111.9900	13.099	13
679	643	893	0:SP3_SP2_SP3	B[5,6a]	C[6a,6a]	O	3:3:4:2:	4:3:3:	4:1:	C[6a,6a]-3:N[5,6a]-3:N[5]-4:O-2:	B[5,6a]-4:C[6a,6a]-3:C[6a]-3:	B[5,6a]-4:H-1:	B[5,6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[6a]C[5])(N[5]C[5]HH)(OH)	C[6a,6a](B[5,6a]N[5,6a]N[5]O)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	O(B[5,6a]C[6a,6a]N[5,6a]N[5])(H)	B[5,6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[6a]C[5])(N[5]C[5]HH)(OH){1|O<1>,3|C<3>,3|H<1>}	C[6a,6a](B[5,6a]N[5,6a]N[5]O)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|C<4>,4|H<1>}	O(B[5,6a]C[6a,6a]N[5,6a]N[5])(H)	115.0440	0.000	1	115.1423	1.902	3	115.1927	1.278	4	115.1927	1.278	4	115.6392	1.955	5	111.9900	13.099	13
679	643	893	0:SP3_SP2_SP3	B[5a]	C[6a]	O	2:2:3:2:	4:3:3:	4:1:	O[5a]-2:O[5a]-2:C[6a]-3:O-2:	B[5a]-4:C[6a]-3:C[6a]-3:	B[5a]-4:H-1:	B[5a](O[5a]C[5a,6a])2(C[6a]C[6a]2)(OH)	C[6a](B[5a]O[5a]2O)(C[6a]C[6a]H)2	O(B[5a]C[6a]O[5a]2)(H)	B[5a](O[5a]C[5a,6a])2(C[6a]C[6a]2)(OH){2|H<1>,4|C<3>}	C[6a](B[5a]O[5a]2O)(C[6a]C[6a]H)2{1|H<1>,1|N<4>,3|C<3>}	O(B[5a]C[6a]O[5a]2)(H)	113.9720	0.000	1	113.9720	0.000	1	113.9720	0.000	1	113.9720	0.000	1	109.7092	5.881	8	111.9900	13.099	13
679	643	893	0:SP3_SP2_SP3	B[5a]	C[6a]	O	2:2:3:2:	4:3:3:	4:4:	O[5a]-2:O[5a]-2:C[6a]-3:O-2:	B[5a]-4:C[6a]-3:C[6a]-3:	B[5a]-4:C-4:	B[5a](O[5a]C[5a,6a])2(C[6a]C[6a]2)(OC)	C[6a](B[5a]O[5a]2O)(C[6a]C[6a]C)(C[6a]C[6a]H)	O(B[5a]C[6a]O[5a]2)(CH3)	B[5a](O[5a]C[5a,6a])2(C[6a]C[6a]2)(OC){1|C<4>,1|H<1>,4|C<3>}	C[6a](B[5a]O[5a]2O)(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	O(B[5a]C[6a]O[5a]2)(CH3)	108.1664	1.117	5	108.1664	1.248	5	108.1664	1.248	5	108.1664	1.248	5	109.7092	5.881	8	111.9900	13.099	13
679	643	893	0:SP3_SP2_SP3	B[5a]	C[6a]	O	3:2:3:2:	4:3:3:	4:4:	N[5a,6]-3:O[5a]-2:C[6a]-3:O-2:	B[5a]-4:C[6a]-3:C[6a]-3:	B[5a]-4:B[5a]-4:	B[5a](N[5a,6]C[5a,6,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)(OB[5a])	C[6a](B[5a]N[5a,6]O[5a]O)(C[6a]C[6a]F)2	O(B[5a]N[5a,6]C[6a]O[5a])2	B[5a](N[5a,6]C[5a,6,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)(OB[5a]){1|H<1>,2|F<1>,5|C<3>}	C[6a](B[5a]N[5a,6]O[5a]O)(C[6a]C[6a]F)2{2|F<1>,4|C<3>}	O(B[5a]N[5a,6]C[6a]O[5a])2	111.4350	0.379	2	111.4350	0.144	2	111.4350	0.144	2	111.4350	0.144	2	109.7092	5.881	8	111.9900	13.099	13
679	643	924	0:SP3_SP-NON_SP2	B[5a]	C[6a]	Br	3:3:3:1:	4:3:3:	4:	N[5a]-3:N[5a]-3:C[6a]-3:Br-1:	B[5a]-4:C[6a]-3:C[6a]-3:	B[5a]-4:	B[5a](N[5a]C[5a,5a]C[6a])2(C[6a]C[6a]2)(Br)	C[6a](B[5a]N[5a]2Br)(C[6a]C[6a]H)2	Br(B[5a]C[6a]N[5a]2)	B[5a](N[5a]C[5a,5a]C[6a])2(C[6a]C[6a]2)(Br){2|H<1>,2|N<3>,6|C<3>}	C[6a](B[5a]N[5a]2Br)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	Br(B[5a]C[6a]N[5a]2)	104.3960	0.000	1	104.3960	0.000	1	104.3960	0.000	1	104.3960	0.000	1	104.3960	0.000	1	104.3960	0.000	1
679	643	998	0:SP3_SP2_SP3	B[5a]	C[6a]	N[5a]	3:3:4:3:	4:3:3:	4:4:4:1:	N[5,5a]-3:N[5a]-3:N[5a]-4:C[6a]-3:	B[5a]-4:C[6a]-3:C[6a]-3:	B[5a]-4:B[5a]-4:C-4:H-1:	B[5a](N[5,5a]N[5,5a]C[5])(N[5a]C[5a]N[5a])(N[5a]B[5a]CH)(C[6a]C[6a]2)	C[6a](B[5a]N[5,5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](B[5a]N[5,5a]C[6a]N[5a])2(CH3)(H)	B[5a](N[5,5a]N[5,5a]C[5])(N[5a]C[5a]N[5a])(N[5a]B[5a]CH)(C[6a]C[6a]2){1|N<3>,4|H<1>,7|C<3>}	C[6a](B[5a]N[5,5a]N[5a]2)(C[6a]C[6a]H)2{1|B<4>,1|C<4>,1|N<2>,1|N<3>,3|C<3>,3|H<1>}	N[5a](B[5a]N[5,5a]C[6a]N[5a])2(CH3)(H){2|N<2>,8|C<3>}	117.1420	0.608	2	117.1420	0.370	2	117.1420	0.370	2	117.1420	0.370	2	112.8217	8.301	10	112.8217	8.301	10
679	643	998	0:SP3_SP2_SP3	B[5a]	C[6a]	N[5a]	3:4:3:3:	4:3:3:	4:4:4:1:	N[5,5a]-3:N[5a]-4:N[5]-3:C[6a]-3:	B[5a]-4:C[6a]-3:C[6a]-3:	B[5a]-4:B[5a]-4:C-4:H-1:	B[5a](N[5,5a]N[5,5a]C[5])(N[5a]B[5a]CH)(N[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](B[5a]N[5,5a]N[5a]N[5])(C[6a]C[6a]H)2	N[5a](B[5a]N[5,5a]C[6a]N[5])2(CH3)(H)	B[5a](N[5,5a]N[5,5a]C[5])(N[5a]B[5a]CH)(N[5]C[5]N[5])(C[6a]C[6a]2){1|Co<4>,1|N<3>,4|H<1>,7|C<3>}	C[6a](B[5a]N[5,5a]N[5a]N[5])(C[6a]C[6a]H)2{1|B<4>,1|C<4>,2|N<3>,3|C<3>,3|H<1>}	N[5a](B[5a]N[5,5a]C[6a]N[5])2(CH3)(H){2|N<3>,8|C<3>}	113.8595	0.851	2	113.8595	0.724	2	113.8595	0.724	2	113.8595	0.724	2	112.8217	8.301	10	112.8217	8.301	10
679	643	998	0:SP3_SP2_SP3	B[5a]	C[6a]	N[5a]	4:2:3:3:	4:3:3:	3:4:3:1:	N[5a]-4:O[5a]-2:C[6a]-3:C[6a]-3:	B[5a]-4:C[6a]-3:C[6a]-3:	C[5a,6a]-3:B[5a]-4:C[6a]-3:H-1:	B[5a](N[5a]C[5a,6a]C[6a]H)(O[5a]C[5a,6a])(C[6a]C[6a]2)2	C[6a](B[5a]C[6a]N[5a]O[5a])(C[6a]C[6a]F)2	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(B[5a]C[6a]2O[5a])(C[6a]C[6a]2)(H)	B[5a](N[5a]C[5a,6a]C[6a]H)(O[5a]C[5a,6a])(C[6a]C[6a]2)2{4|F<1>,8|C<3>}	C[6a](B[5a]C[6a]N[5a]O[5a])(C[6a]C[6a]F)2{1|H<1>,2|F<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(B[5a]C[6a]2O[5a])(C[6a]C[6a]2)(H){2|C<4>,9|C<3>}	110.9425	0.231	2	110.9425	0.053	2	110.9425	0.053	2	110.9425	0.053	2	112.8217	8.301	10	112.8217	8.301	10
679	643	998	0:SP3_SP2_SP3	B[5a]	C[6a]	N[5a]	4:3:3:2:	4:3:3:	4:2:1:1:	N[5a]-4:C[6a]-3:C[6a]-3:O[5a]-2:	B[5a]-4:C[6a]-3:C[6a]-3:	B[5a]-4:N[5a]-2:H-1:H-1:	B[5a](N[5a]N[5a]HH)(C[6a]C[6a]2)2(O[5a]C[5a])	C[6a](B[5a]C[6a]N[5a]O[5a])(C[6a]C[6a]F)2	N[5a](B[5a]C[6a]2O[5a])(N[5a]C[5a])(H)2	B[5a](N[5a]N[5a]HH)(C[6a]C[6a]2)2(O[5a]C[5a]){4|F<1>,5|C<3>}	C[6a](B[5a]C[6a]N[5a]O[5a])(C[6a]C[6a]F)2{1|N<2>,2|F<1>,2|H<1>,4|C<3>}	N[5a](B[5a]C[6a]2O[5a])(N[5a]C[5a])(H)2{5|C<3>}	111.0823	2.230	4	111.0823	4.972	4	111.0823	4.972	4	111.0823	4.972	4	112.8217	8.301	10	112.8217	8.301	10
679	643	999	0:SP3_SP2_SP3	B[5,6a]	C[6a,6a]	N[5]	3:3:4:2:	4:3:3:	4:4:1:1:	C[6a,6a]-3:N[5,6a]-3:N[5]-4:O-2:	B[5,6a]-4:C[6a,6a]-3:C[6a]-3:	B[5,6a]-4:C[5]-4:H-1:H-1:	B[5,6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[6a]C[5])(N[5]C[5]HH)(OH)	C[6a,6a](B[5,6a]N[5,6a]N[5]O)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5](B[5,6a]C[6a,6a]N[5,6a]O)(C[5]C[5]CH)(H)2	B[5,6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[6a]C[5])(N[5]C[5]HH)(OH){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a,6a](B[5,6a]N[5,6a]N[5]O)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,5|H<1>}	N[5](B[5,6a]C[6a,6a]N[5,6a]O)(C[5]C[5]CH)(H)2{1|N<2>,1|O<1>,2|C<3>}	115.8820	0.000	1	115.8820	0.000	1	116.3193	0.213	3	116.3193	0.213	3	116.3888	0.161	4	116.3888	0.161	4
679	643	999	0:SP3_SP2_SP3	B[5,6a]	C[6a,6a]	N[5]	3:3:4:2:	4:3:3:	4:4:1:1:	C[6a,6a]-3:N[5,6a]-3:N[5]-4:O-2:	B[5,6a]-4:C[6a,6a]-3:C[6a]-3:	B[5,6a]-4:C[5]-4:H-1:H-1:	B[5,6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[6a]C[5])(N[5]C[5]HH)(OH)	C[6a,6a](B[5,6a]N[5,6a]N[5]O)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5](B[5,6a]C[6a,6a]N[5,6a]O)(C[5]C[5]HH)(H)2	B[5,6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[6a]C[5])(N[5]C[5]HH)(OH){1|O<1>,3|C<3>,3|H<1>}	C[6a,6a](B[5,6a]N[5,6a]N[5]O)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,5|H<1>}	N[5](B[5,6a]C[6a,6a]N[5,6a]O)(C[5]C[5]HH)(H)2{1|N<2>,1|O<1>,2|C<3>}	116.2740	0.000	1	116.5380	0.139	2	116.3193	0.213	3	116.3193	0.213	3	116.3888	0.161	4	116.3888	0.161	4
679	643	999	0:SP3_SP2_SP3	B[5,6a]	C[6a,6a]	N[5]	3:3:4:2:	4:3:3:	4:4:1:1:	C[6a,6a]-3:N[5,6a]-3:N[5]-4:O-2:	B[5,6a]-4:C[6a,6a]-3:C[6a]-3:	B[5,6a]-4:C[5]-4:H-1:H-1:	B[5,6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[6a]C[5])(N[5]C[5]HH)(OH)	C[6a,6a](B[5,6a]N[5,6a]N[5]O)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5](B[5,6a]C[6a,6a]N[5,6a]O)(C[5]C[5]HH)(H)2	B[5,6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[6a]C[5])(N[5]C[5]HH)(OH){1|O<1>,3|C<3>,3|H<1>}	C[6a,6a](B[5,6a]N[5,6a]N[5]O)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|C<4>,4|H<1>}	N[5](B[5,6a]C[6a,6a]N[5,6a]O)(C[5]C[5]HH)(H)2{1|N<2>,1|O<1>,2|C<3>}	116.8020	0.000	1	116.5380	0.139	2	116.3193	0.213	3	116.3193	0.213	3	116.3888	0.161	4	116.3888	0.161	4
679	643	999	0:SP3_SP2_SP3	B[5,6a]	C[6a,6a]	N[5]	3:3:4:2:	4:3:3:	4:4:4:4:	C[6a,6a]-3:N[5,6a]-3:N[5]-4:O-2:	B[5,6a]-4:C[6a,6a]-3:C[6a]-3:	B[5,6a]-4:C[5]-4:C-4:C-4:	B[5,6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[6a]C[5])(N[5]C[5]CC)(OH)	C[6a,6a](B[5,6a]N[5,6a]N[5]O)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5](B[5,6a]C[6a,6a]N[5,6a]O)(C[5]C[5]CH)(CH3)2	B[5,6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[6a]C[5])(N[5]C[5]CC)(OH){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a,6a](B[5,6a]N[5,6a]N[5]O)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,3|C<4>,3|H<1>}	N[5](B[5,6a]C[6a,6a]N[5,6a]O)(C[5]C[5]CH)(CH3)2{1|N<2>,1|O<1>,2|C<3>}	116.5970	0.000	1	116.5970	0.000	1	116.5970	0.000	1	116.5970	0.000	1	116.3888	0.161	4	116.3888	0.161	4
679	679	856	0:SP3_SP2_SP3	B[5a]	B[5a]	N[6]	4:3:2:2:	4:3:2:2:	4:3:4:	B[5a]-4:N[6]-3:O[5a]-2:O[5a]-2:	B[5a]-4:N[6]-3:O[5a]-2:O[5a]-2:	B[5a]-4:C[5,6]-3:C[6]-4:	B[5a](B[5a]O[5a]2N[6])(N[6]C[5,6]C[6])(O[5a]C[5a,6a])2	B[5a](B[5a]O[5a]2N[6])(N[6]C[5,6]C[6])(O[5a]C[5a,6a])2	N[6](B[5a]B[5a]O[5a]2)(C[5,6]N[5,6]C[5])(C[6]C[6]HH)	B[5a](B[5a]O[5a]2N[6])(N[6]C[5,6]C[6])(O[5a]C[5a,6a])2{1|N<3>,2|H<1>,3|C<4>,5|C<3>}	B[5a](B[5a]O[5a]2N[6])(N[6]C[5,6]C[6])(O[5a]C[5a,6a])2{1|N<3>,2|H<1>,3|C<4>,5|C<3>}	N[6](B[5a]B[5a]O[5a]2)(C[5,6]N[5,6]C[5])(C[6]C[6]HH){1|N<3>,2|C<3>,2|O<2>,3|C<4>,4|H<1>}	108.2460	0.000	1	108.2460	0.000	1	108.2460	0.000	1	108.2460	0.000	1	108.2460	0.000	1	108.2460	0.000	1
679	679	892	0:SP3_SP3_SP3	B[5a]	B[5a]	N	4:2:2:4:	4:2:2:3:	4:4:4:1:	B[5a]-4:S[5a]-2:S[5a]-2:N-4:	B[5a]-4:S[5a]-2:S[5a]-2:N-3:	B[5a]-4:C-4:C-4:H-1:	B[5a](B[5a]S[5a]2N)(S[5a]C[5,5a])2(NCCH)	B[5a](B[5a]S[5a]2N)(S[5a]C[5,5a])2(NCC)	N(B[5a]B[5a]S[5a]2)(CH3)2(H)	B[5a](B[5a]S[5a]2N)(S[5a]C[5,5a])2(NCCH){2|C<3>,2|S<2>}	B[5a](B[5a]S[5a]2N)(S[5a]C[5,5a])2(NCC){2|C<3>,2|S<2>}	N(B[5a]B[5a]S[5a]2)(CH3)2(H)	113.5040	0.000	1	113.5040	0.000	1	113.5040	0.000	1	113.5040	0.000	1	113.5040	0.000	1	113.5040	0.000	1
679	679	956	0:SP3_SP3_SP3	B[5a]	B[5a]	N	4:2:2:3:	4:2:2:4:	4:4:4:	B[5a]-4:S[5a]-2:S[5a]-2:N-3:	B[5a]-4:S[5a]-2:S[5a]-2:N-4:	B[5a]-4:C-4:C-4:	B[5a](B[5a]S[5a]2N)(S[5a]C[5,5a])2(NCC)	B[5a](B[5a]S[5a]2N)(S[5a]C[5,5a])2(NCCH)	N(B[5a]B[5a]S[5a]2)(CH3)2	B[5a](B[5a]S[5a]2N)(S[5a]C[5,5a])2(NCC){2|C<3>,2|S<2>}	B[5a](B[5a]S[5a]2N)(S[5a]C[5,5a])2(NCCH){2|C<3>,2|S<2>}	N(B[5a]B[5a]S[5a]2)(CH3)2	112.3360	0.000	1	112.3360	0.000	1	112.3360	0.000	1	112.3360	0.000	1	112.3360	0.000	1	112.3360	0.000	1
679	727	727	0:SP3_SP2_SP2	B[5a]	C[5a]	C[5a]	3:3:3:2:	4:3:2:	4:3:2:	N[5a,6]-3:C[5a]-3:C[5a]-3:O[5a]-2:	B[5a]-4:C[5a]-3:S[5a]-2:	B[5a]-4:C[5a]-3:S[5a]-2:	B[5a](N[5a,6]C[5a,6,6a]C[6])(C[5a]C[5a]S[5a])2(O[5a]C[5a,6a])	C[5a](B[5a]N[5a,6]C[5a]O[5a])(C[5a]C[5a,6a]H)(S[5a]C[5a,6a])	C[5a](B[5a]N[5a,6]C[5a]O[5a])(C[5a]C[5a,6a]H)(S[5a]C[5a,6a])	B[5a](N[5a,6]C[5a,6,6a]C[6])(C[5a]C[5a]S[5a])2(O[5a]C[5a,6a]){3|H<1>,7|C<3>}	C[5a](B[5a]N[5a,6]C[5a]O[5a])(C[5a]C[5a,6a]H)(S[5a]C[5a,6a]){1|S<2>,6|C<3>}	C[5a](B[5a]N[5a,6]C[5a]O[5a])(C[5a]C[5a,6a]H)(S[5a]C[5a,6a]){1|S<2>,6|C<3>}	114.8810	1.161	2	114.8810	1.348	2	114.8810	1.348	2	114.8810	1.348	2	114.8810	1.348	2	114.8810	1.348	2
679	727	727	5:SP3_SP2_SP2	B[5,5a]	C[5,6a]	C[5,6a]	3:3:3:2:	4:3:3:	4:3:3:	N[5a,6]-3:C[5,6a]-3:C[5,6a]-3:O[5a]-2:	B[5,5a]-4:C[5,6a]-3:C[6a]-3:	B[5,5a]-4:C[5,6a]-3:C[6a]-3:	B[5,5a](N[5a,6]C[5a,6,6a]C[6])(C[5,6a]C[5,6a]C[6a])2(O[5a]C[5a,6a])	C[5,6a](B[5,5a]C[5,6a]N[5a,6]O[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]F)	C[5,6a](B[5,5a]C[5,6a]N[5a,6]O[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]F)	B[5,5a](N[5a,6]C[5a,6,6a]C[6])(C[5,6a]C[5,6a]C[6a])2(O[5a]C[5a,6a]){1|H<1>,2|F<1>,7|C<3>}	C[5,6a](B[5,5a]C[5,6a]N[5a,6]O[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]F){2|F<1>,6|C<3>}	C[5,6a](B[5,5a]C[5,6a]N[5a,6]O[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]F){2|F<1>,6|C<3>}	99.1327	0.000	1	99.1327	0.000	1	100.1589	0.798	3	100.1589	0.798	3	100.1589	0.798	3	100.1589	0.798	3
679	727	727	5:SP3_SP2_SP2	B[5,5a]	C[5,6a]	C[5,6a]	3:3:3:2:	4:3:3:	4:3:3:	N[5a,6]-3:C[5,6a]-3:C[5,6a]-3:O[5a]-2:	B[5,5a]-4:C[5,6a]-3:C[6a]-3:	B[5,5a]-4:C[5,6a]-3:C[6a]-3:	B[5,5a](N[5a,6]C[5a,6,6a]C[6])(C[5,6a]C[5,6a]C[6a])2(O[5a]C[5a,6a])	C[5,6a](B[5,5a]C[5,6a]N[5a,6]O[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](B[5,5a]C[5,6a]N[5a,6]O[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	B[5,5a](N[5a,6]C[5a,6,6a]C[6])(C[5,6a]C[5,6a]C[6a])2(O[5a]C[5a,6a]){3|H<1>,7|C<3>}	C[5,6a](B[5,5a]C[5,6a]N[5a,6]O[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5,6a](B[5,5a]C[5,6a]N[5a,6]O[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	100.6720	0.132	2	100.6720	0.017	2	100.1589	0.798	3	100.1589	0.798	3	100.1589	0.798	3	100.1589	0.798	3
679	727	727	6:SP3_SP2_SP2	B[5a,6]	C[5a,6]	C[5a,6]	3:3:3:2:	4:3:3:	4:3:2:	N[5a,6]-3:C[5a,6]-3:C[5a,6]-3:O[5a]-2:	B[5a,6]-4:C[5a,6]-3:C[5a]-3:	B[5a,6]-4:C[5a,6]-3:S[5a]-2:	B[5a,6](N[5a,6]C[5a,6,6a]C[6])(C[5a,6]C[5a,6]C[5a])(C[5a,6]C[5a,6]S[5a])(O[5a]C[5a,6a])	C[5a,6](B[5a,6]C[5a,6]N[5a,6]O[5a])(C[5a,6]B[5a,6]S[5a])(C[5a]C[5a]H)	C[5a,6](B[5a,6]C[5a,6]N[5a,6]O[5a])(C[5a,6]B[5a,6]C[5a])(S[5a]C[5a])	B[5a,6](N[5a,6]C[5a,6,6a]C[6])(C[5a,6]C[5a,6]C[5a])(C[5a,6]C[5a,6]S[5a])(O[5a]C[5a,6a]){1|B<4>,1|S<2>,2|H<1>,6|C<3>}	C[5a,6](B[5a,6]C[5a,6]N[5a,6]O[5a])(C[5a,6]B[5a,6]S[5a])(C[5a]C[5a]H){1|H<1>,1|N<3>,1|O<2>,1|S<2>,4|C<3>}	C[5a,6](B[5a,6]C[5a,6]N[5a,6]O[5a])(C[5a,6]B[5a,6]C[5a])(S[5a]C[5a]){1|N<3>,1|O<2>,2|H<1>,5|C<3>}	111.4860	0.000	1	111.4860	0.000	1	111.4860	0.000	1	111.4860	0.000	1	111.4860	0.000	1	111.4860	0.000	1
679	727	762	0:SP3_SP2_SP2	B[5a]	C[5a]	C[6]	3:3:4:3:	4:3:2:	4:4:4:	C[5a]-3:N[5a]-3:C[6]-4:C[6]-3:	B[5a]-4:N[5a]-3:N-2:	B[5a]-4:C[6]-4:C[6]-4:	B[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(C[6]C[6]2H)(C[6]C[6]2)	C[5a](B[5a]N[5a]C[6]2)(N[5a]C[5a]C)(NC[6a])	C[6](B[5a]C[5a]N[5a]C[6])(C[6]C[6]HH)2	B[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(C[6]C[6]2H)(C[6]C[6]2){1|N<3>,5|C<4>,8|H<1>}	C[5a](B[5a]N[5a]C[6]2)(N[5a]C[5a]C)(NC[6a]){1|H<1>,1|N<3>,5|C<4>}	C[6](B[5a]C[5a]N[5a]C[6])(C[6]C[6]HH)2{1|C<3>,1|N<2>,1|N<3>,4|C<4>,5|H<1>}	108.9100	0.000	1	108.9100	0.000	1	108.9100	0.000	1	108.9100	0.000	1	108.9100	0.000	1	108.9100	0.000	1
679	727	790	0:SP3_SP-NON_SP2	B[5a]	C[5a,5a]	Cl	3:3:1:1:	3:4:3:	4:	C[5a,5a]-3:N[5a,6]-3:Cl-1:Cl-1:	N[5a,5a]-3:B[5a]-4:C[5a]-3:	B[5a]-4:	B[5a](C[5a,5a]N[5a,5a]C[5a])(N[5a,6]C[5a,6]C[6])(Cl)2	C[5a,5a](N[5a,5a]C[5a,6a]C[5a,6])(B[5a]N[5a,6]Cl2)(C[5a]C[5a,6a]H)	Cl(B[5a]C[5a,5a]N[5a,6]Cl)	B[5a](C[5a,5a]N[5a,5a]C[5a])(N[5a,6]C[5a,6]C[6])(Cl)2{2|H<1>,4|C<3>}	C[5a,5a](N[5a,5a]C[5a,6a]C[5a,6])(B[5a]N[5a,6]Cl2)(C[5a]C[5a,6a]H){4|C<3>}	Cl(B[5a]C[5a,5a]N[5a,6]Cl)	114.8555	1.204	2	114.8555	1.450	2	114.8555	1.450	2	114.8555	1.450	2	114.8555	1.450	2	114.8555	1.450	2
679	727	813	0:SP3_SP2_SP2	B[5,5a]	C[5,6a]	N[5a,6]	3:3:2:2:	4:3:3:	3:4:3:	N[5a,6]-3:C[5,6a]-3:O[5a]-2:O[5]-2:	B[5,5a]-4:C[5,6a]-3:C[6a]-3:	C[5a,6,6a]-3:B[5,5a]-4:C[6]-3:	B[5,5a](N[5a,6]C[5a,6,6a]C[6])(C[5,6a]C[5,6a]C[6a])(O[5a]C[5a,6a])(O[5]B[5])	C[5,6a](B[5,5a]N[5a,6]O[5a]O[5])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5,5a]C[5,6a]O[5a]O[5])(C[6]C[6]H)	B[5,5a](N[5a,6]C[5a,6,6a]C[6])(C[5,6a]C[5,6a]C[6a])(O[5a]C[5a,6a])(O[5]B[5]){1|O<2>,2|H<1>,5|C<3>}	C[5,6a](B[5,5a]N[5a,6]O[5a]O[5])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5,5a]C[5,6a]O[5a]O[5])(C[6]C[6]H){1|B<3>,1|H<1>,5|C<3>}	116.2910	0.000	1	116.2910	0.000	1	116.2910	0.000	1	116.2910	0.000	1	114.1811	6.328	7	112.2397	10.095	13
679	727	813	0:SP3_SP2_SP2	B[5,5a]	C[5,6a]	N[5a,6]	3:3:3:2:	4:3:3:	3:4:3:	N[5a,6]-3:C[5,6a]-3:C[5,6a]-3:O[5a]-2:	B[5,5a]-4:C[5,6a]-3:C[6a]-3:	C[5a,6,6a]-3:B[5,5a]-4:C[6]-3:	B[5,5a](N[5a,6]C[5a,6,6a]C[6])(C[5,6a]C[5,6a]C[6a])2(O[5a]C[5a,6a])	C[5,6a](B[5,5a]C[5,6a]N[5a,6]O[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]F)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5,5a]C[5,6a]2O[5a])(C[6]C[6]H)	B[5,5a](N[5a,6]C[5a,6,6a]C[6])(C[5,6a]C[5,6a]C[6a])2(O[5a]C[5a,6a]){1|H<1>,2|F<1>,7|C<3>}	C[5,6a](B[5,5a]C[5,6a]N[5a,6]O[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]F){2|F<1>,6|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5,5a]C[5,6a]2O[5a])(C[6]C[6]H){1|H<1>,7|C<3>}	114.9405	1.207	2	114.9405	1.457	2	113.8295	6.555	6	113.8295	6.555	6	114.1811	6.328	7	112.2397	10.095	13
679	727	813	0:SP3_SP2_SP2	B[5,5a]	C[5,6a]	N[5a,6]	3:3:3:2:	4:3:3:	3:4:3:	N[5a,6]-3:C[5,6a]-3:C[5,6a]-3:O[5a]-2:	B[5,5a]-4:C[5,6a]-3:C[6a]-3:	C[5a,6,6a]-3:B[5,5a]-4:C[6]-3:	B[5,5a](N[5a,6]C[5a,6,6a]C[6])(C[5,6a]C[5,6a]C[6a])2(O[5a]C[5a,6a])	C[5,6a](B[5,5a]C[5,6a]N[5a,6]O[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5,5a]C[5,6a]2O[5a])(C[6]C[6]H)	B[5,5a](N[5a,6]C[5a,6,6a]C[6])(C[5,6a]C[5,6a]C[6a])2(O[5a]C[5a,6a]){3|H<1>,7|C<3>}	C[5,6a](B[5,5a]C[5,6a]N[5a,6]O[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5,5a]C[5,6a]2O[5a])(C[6]C[6]H){1|H<1>,7|C<3>}	113.2740	3.034	4	113.2740	9.206	4	113.8295	6.555	6	113.8295	6.555	6	114.1811	6.328	7	112.2397	10.095	13
679	727	813	0:SP3_SP2_SP2	B[5a,6]	C[5a,6]	N[5a,6]	3:3:3:2:	4:3:2:	3:4:3:	N[5a,6]-3:C[5a,6]-3:C[5a,6]-3:O[5a]-2:	B[5a,6]-4:C[5a,6]-3:S[5a]-2:	C[5a,6,6a]-3:B[5a,6]-4:C[6]-3:	B[5a,6](N[5a,6]C[5a,6,6a]C[6])(C[5a,6]C[5a,6]C[5a])(C[5a,6]C[5a,6]S[5a])(O[5a]C[5a,6a])	C[5a,6](B[5a,6]C[5a,6]N[5a,6]O[5a])(C[5a,6]B[5a,6]C[5a])(S[5a]C[5a])	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a,6]C[5a,6]2O[5a])(C[6]C[6]H)	B[5a,6](N[5a,6]C[5a,6,6a]C[6])(C[5a,6]C[5a,6]C[5a])(C[5a,6]C[5a,6]S[5a])(O[5a]C[5a,6a]){1|B<4>,1|S<2>,2|H<1>,6|C<3>}	C[5a,6](B[5a,6]C[5a,6]N[5a,6]O[5a])(C[5a,6]B[5a,6]C[5a])(S[5a]C[5a]){1|N<3>,1|O<2>,2|H<1>,5|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a,6]C[5a,6]2O[5a])(C[6]C[6]H){1|H<1>,1|S<2>,6|C<3>}	112.9580	0.000	1	112.9580	0.000	1	112.9580	0.000	1	112.9580	0.000	1	110.4260	12.822	2	112.2397	10.095	13
679	727	813	0:SP3_SP2_SP2	B[5a,6]	C[5a,6]	N[5a,6]	3:3:3:2:	4:3:3:	3:4:3:	N[5a,6]-3:C[5a,6]-3:C[5a,6]-3:O[5a]-2:	B[5a,6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6,6a]-3:B[5a,6]-4:C[6]-3:	B[5a,6](N[5a,6]C[5a,6,6a]C[6])(C[5a,6]C[5a,6]C[5a])(C[5a,6]C[5a,6]S[5a])(O[5a]C[5a,6a])	C[5a,6](B[5a,6]C[5a,6]N[5a,6]O[5a])(C[5a,6]B[5a,6]S[5a])(C[5a]C[5a]H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a,6]C[5a,6]2O[5a])(C[6]C[6]H)	B[5a,6](N[5a,6]C[5a,6,6a]C[6])(C[5a,6]C[5a,6]C[5a])(C[5a,6]C[5a,6]S[5a])(O[5a]C[5a,6a]){1|B<4>,1|S<2>,2|H<1>,6|C<3>}	C[5a,6](B[5a,6]C[5a,6]N[5a,6]O[5a])(C[5a,6]B[5a,6]S[5a])(C[5a]C[5a]H){1|H<1>,1|N<3>,1|O<2>,1|S<2>,4|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a,6]C[5a,6]2O[5a])(C[6]C[6]H){1|H<1>,1|S<2>,6|C<3>}	107.8940	0.000	1	107.8940	0.000	1	107.8940	0.000	1	107.8940	0.000	1	110.4260	12.822	2	112.2397	10.095	13
679	727	813	0:SP3_SP2_SP2	B[5a]	C[5a]	N[5a,6]	3:3:3:2:	4:3:2:	3:4:3:	N[5a,6]-3:C[5a]-3:C[5a]-3:O[5a]-2:	B[5a]-4:C[5a]-3:S[5a]-2:	C[5a,6,6a]-3:B[5a]-4:C[6]-3:	B[5a](N[5a,6]C[5a,6,6a]C[6])(C[5a]C[5a]S[5a])2(O[5a]C[5a,6a])	C[5a](B[5a]N[5a,6]C[5a]O[5a])(C[5a]C[5a,6a]H)(S[5a]C[5a,6a])	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[5a]2O[5a])(C[6]C[6]H)	B[5a](N[5a,6]C[5a,6,6a]C[6])(C[5a]C[5a]S[5a])2(O[5a]C[5a,6a]){3|H<1>,7|C<3>}	C[5a](B[5a]N[5a,6]C[5a]O[5a])(C[5a]C[5a,6a]H)(S[5a]C[5a,6a]){1|S<2>,6|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[5a]2O[5a])(C[6]C[6]H){1|H<1>,2|S<2>,5|C<3>}	109.7490	2.047	4	109.7490	4.190	4	109.7490	4.190	4	109.7490	4.190	4	109.7490	4.190	4	112.2397	10.095	13
679	727	813	5:SP3_SP2_SP2	B[5,5a]	C[5a,6a]	N[5a,6]	3:3:2:2:	3:4:3:	4:3:3:	C[5a,6a]-3:N[5a,6]-3:O[5]-2:O[5]-2:	N[5a,6a]-3:B[5,5a]-4:C[6a]-3:	B[5,5a]-4:C[5a,6]-3:C[6]-3:	B[5,5a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6])(O[5]C[5])2	C[5a,6a](N[5a,6a]C[5a,6]C[6a])(B[5,5a]N[5a,6]O[5]2)(C[6a]C[6a]H)	N[5a,6](B[5,5a]C[5a,6a]O[5]2)(C[5a,6]N[5a,6a]C[6])(C[6]C[6]H)	B[5,5a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6])(O[5]C[5])2{2|H<1>,4|C<3>,4|C<4>}	C[5a,6a](N[5a,6a]C[5a,6]C[6a])(B[5,5a]N[5a,6]O[5]2)(C[6a]C[6a]H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	N[5a,6](B[5,5a]C[5a,6a]O[5]2)(C[5a,6]N[5a,6a]C[6])(C[6]C[6]H){2|C<4>,2|H<1>,3|C<3>}	93.6490	0.214	2	93.6490	0.046	2	93.6490	0.046	2	93.6490	0.046	2	93.6490	0.046	2	95.5845	6.447	21
679	727	813	5:SP3_SP2_SP2	B[5a,6,6]	C[5a]	N[5a]	3:4:4:3:	4:3:2:	4:3:3:	N[5a]-3:C[6,6]-4:C[6,6]-4:C[5a]-3:	B[5a,6,6]-4:N[5a]-3:N-2:	B[5a,6,6]-4:C[5a]-3:C[6a]-3:	B[5a,6,6](N[5a]C[5a]C[6a])(C[6,6]C[6]2H)2(C[5a]N[5a]N)	C[5a](B[5a,6,6]C[6,6]2N[5a])(N[5a]C[5a]C)(NC[6a])	N[5a](B[5a,6,6]C[6,6]2C[5a])(C[5a]N[5a]N)(C[6a]C[6a]2)	B[5a,6,6](N[5a]C[5a]C[6a])(C[6,6]C[6]2H)2(C[5a]N[5a]N){1|N<3>,2|C<3>,3|C<4>,8|H<1>}	C[5a](B[5a,6,6]C[6,6]2N[5a])(N[5a]C[5a]C)(NC[6a]){1|C<3>,1|N<3>,2|H<1>,4|C<4>}	N[5a](B[5a,6,6]C[6,6]2C[5a])(C[5a]N[5a]N)(C[6a]C[6a]2){1|N<2>,2|C<3>,4|H<1>,5|C<4>}	94.8753	0.000	1	94.8753	0.000	1	94.8753	0.000	1	94.8753	0.000	1	94.8753	0.000	1	95.5845	6.447	21
679	727	813	5:SP3_SP2_SP2	B[5a]	C[5,5a]	N[5a,6a]	3:3:4:4:	3:4:3:	3:4:3:	N[5a,6a]-3:C[5,5a]-3:C-4:C-4:	N[5,5a]-3:B[5a]-4:N[5]-3:	C[5a,6a]-3:B[5a]-4:C[6a]-3:	B[5a](N[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]N[5])(CCHH)2	C[5,5a](N[5,5a]C[5a,6a]C[5])(B[5a]N[5a,6a]CC)(N[5]C[5]C)	N[5a,6a](C[5a,6a]N[5,5a]C[6a])(B[5a]C[5,5a]CC)(C[6a]N[6a]O)	B[5a](N[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]N[5])(CCHH)2{1|C<4>,1|N<3>,1|O<1>,3|C<3>}	C[5,5a](N[5,5a]C[5a,6a]C[5])(B[5a]N[5a,6a]CC)(N[5]C[5]C){2|C<3>,2|H<1>}	N[5a,6a](C[5a,6a]N[5,5a]C[6a])(B[5a]C[5,5a]CC)(C[6a]N[6a]O){1|N<3>,2|C<3>,2|H<1>}	92.0050	0.344	2	92.0050	0.118	2	92.0050	0.118	2	92.0050	0.118	2	92.0050	0.118	2	95.5845	6.447	21
679	727	813	5:SP3_SP2_SP2	B[5a]	C[5,5a]	N[5a]	3:3:3:1:	4:3:3:	4:3:3:	C[5,5a]-3:N[5a]-3:C[6a]-3:F-1:	B[5a]-4:N[5,5a]-3:N[5]-3:	B[5a]-4:C[5a]-3:C[6a]-3:	B[5a](C[5,5a]N[5,5a]N[5])(N[5a]C[5a]C[6a])(C[6a]C[6a]2)(F)	C[5,5a](B[5a]C[6a]N[5a]F)(N[5,5a]C[5a]C[5])(N[5]C[3x6]C[5])	N[5a](B[5a]C[5,5a]C[6a]F)(C[5a]N[5,5a]C)(C[6a]C[6a]2)	B[5a](C[5,5a]N[5,5a]N[5])(N[5a]C[5a]C[6a])(C[6a]C[6a]2)(F){4|C<3>,6|C<4>}	C[5,5a](B[5a]C[6a]N[5a]F)(N[5,5a]C[5a]C[5])(N[5]C[3x6]C[5]){3|C<3>,4|C<4>,4|H<1>}	N[5a](B[5a]C[5,5a]C[6a]F)(C[5a]N[5,5a]C)(C[6a]C[6a]2){1|N<3>,3|C<4>,4|C<3>}	93.3300	0.000	1	93.3300	0.000	1	93.3300	0.000	1	93.3300	0.000	1	93.3300	0.000	1	95.5845	6.447	21
679	727	813	5:SP3_SP2_SP2	B[5a]	C[5a,5a]	N[5a,5a]	3:3:4:4:	3:4:3:	3:3:4:	N[5a,5a]-3:C[5a,5a]-3:C-4:C-4:	N[5a,5a]-3:B[5a]-4:N[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:B[5a]-4:	B[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a,5a]N[5a,5a]N[5a])(CCHH)2	C[5a,5a](N[5a,5a]C[5a,5a]C[5a])(B[5a]N[5a,5a]CC)(N[5a]C[5a]C)	N[5a,5a](C[5a,5a]N[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(B[5a]C[5a,5a]CC)	B[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a,5a]N[5a,5a]N[5a])(CCHH)2{1|C<4>,5|C<3>}	C[5a,5a](N[5a,5a]C[5a,5a]C[5a])(B[5a]N[5a,5a]CC)(N[5a]C[5a]C){2|C<3>,2|H<1>}	N[5a,5a](C[5a,5a]N[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(B[5a]C[5a,5a]CC){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	92.7714	0.000	1	92.7714	0.000	1	92.7714	0.000	1	92.7714	0.000	1	92.7714	0.000	1	95.5845	6.447	21
679	727	813	5:SP3_SP2_SP2	B[5a]	C[5a,5a]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	C[5a,5a]-3:N[5a,6]-3:Cl-1:Cl-1:	N[5a,5a]-3:B[5a]-4:C[5a]-3:	C[5a,6]-3:B[5a]-4:C[6]-3:	B[5a](C[5a,5a]N[5a,5a]C[5a])(N[5a,6]C[5a,6]C[6])(Cl)2	C[5a,5a](N[5a,5a]C[5a,6a]C[5a,6])(B[5a]N[5a,6]Cl2)(C[5a]C[5a,6a]H)	N[5a,6](C[5a,6]N[5a,5a]C[6])(B[5a]C[5a,5a]Cl2)(C[6]C[6]H)	B[5a](C[5a,5a]N[5a,5a]C[5a])(N[5a,6]C[5a,6]C[6])(Cl)2{2|H<1>,4|C<3>}	C[5a,5a](N[5a,5a]C[5a,6a]C[5a,6])(B[5a]N[5a,6]Cl2)(C[5a]C[5a,6a]H){4|C<3>}	N[5a,6](C[5a,6]N[5a,5a]C[6])(B[5a]C[5a,5a]Cl2)(C[6]C[6]H){2|H<1>,3|C<3>}	97.7390	0.000	1	97.7390	0.000	1	97.7390	0.000	1	97.7390	0.000	1	97.7390	0.000	1	95.5845	6.447	21
679	727	813	5:SP3_SP2_SP2	B[5a]	C[5a,6a]	N[5,5a]	3:3:1:1:	3:4:3:	3:4:3:	C[5a,6a]-3:N[5,5a]-3:F-1:F-1:	C[5a,6a]-3:B[5a]-4:C[6a]-3:	N[5,5a]-3:B[5a]-4:C[5]-3:	B[5a](C[5a,6a]C[5a,6a]C[6a])(N[5,5a]N[5,5a]C[5])(F)2	C[5a,6a](C[5a,6a]N[5,5a]N[6a])(B[5a]N[5,5a]FF)(C[6a]C[6a]2)	N[5,5a](N[5,5a]C[5a,6a]C[5])(B[5a]C[5a,6a]FF)(C[5]C[5]C)	B[5a](C[5a,6a]C[5a,6a]C[6a])(N[5,5a]N[5,5a]C[5])(F)2{1|C<4>,1|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]N[5,5a]N[6a])(B[5a]N[5,5a]FF)(C[6a]C[6a]2){1|N<2>,1|N<3>,4|C<3>}	N[5,5a](N[5,5a]C[5a,6a]C[5])(B[5a]C[5a,6a]FF)(C[5]C[5]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	96.2512	0.000	1	96.2512	0.000	1	96.1166	0.036	2	96.1166	0.036	2	95.4208	0.335	6	95.5845	6.447	21
679	727	813	5:SP3_SP2_SP2	B[5a]	C[5a,6a]	N[5,5a]	3:3:1:1:	3:4:3:	3:4:3:	C[5a,6a]-3:N[5,5a]-3:F-1:F-1:	C[5a,6a]-3:B[5a]-4:C[6a]-3:	N[5,5a]-3:B[5a]-4:C[5]-3:	B[5a](C[5a,6a]C[5a,6a]C[6a])(N[5,5a]N[5,5a]C[5])(F)2	C[5a,6a](C[5a,6a]N[5,5a]N[6a])(B[5a]N[5,5a]FF)(C[6a]C[6a]C)	N[5,5a](N[5,5a]C[5a,6a]C[5])(B[5a]C[5a,6a]FF)(C[5]C[5]C)	B[5a](C[5a,6a]C[5a,6a]C[6a])(N[5,5a]N[5,5a]C[5])(F)2{1|N<2>,2|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]N[5,5a]N[6a])(B[5a]N[5,5a]FF)(C[6a]C[6a]C){1|N<2>,1|N<3>,2|C<3>}	N[5,5a](N[5,5a]C[5a,6a]C[5])(B[5a]C[5a,6a]FF)(C[5]C[5]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	95.9820	0.000	1	95.9820	0.000	1	96.1166	0.036	2	96.1166	0.036	2	95.4208	0.335	6	95.5845	6.447	21
679	727	813	5:SP3_SP2_SP2	B[5a]	C[5a,6a]	N[5,5a]	3:3:4:4:	3:4:3:	3:4:3:	C[5a,6a]-3:N[5,5a]-3:C-4:C-4:	C[5a,6a]-3:B[5a]-4:C[6a]-3:	N[5,5a]-3:B[5a]-4:C[5]-3:	B[5a](C[5a,6a]C[5a,6a]C[6a])(N[5,5a]N[5,5a]C[5])(CH3)2	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(B[5a]N[5,5a]CC)(C[6a]C[6a]H)	N[5,5a](N[5,5a]C[5a,6a]C[5])(B[5a]C[5a,6a]CC)(C[5]C[6a]C[5])	B[5a](C[5a,6a]C[5a,6a]C[6a])(N[5,5a]N[5,5a]C[5])(CH3)2{1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(B[5a]N[5,5a]CC)(C[6a]C[6a]H){1|H<1>,4|C<3>}	N[5,5a](N[5,5a]C[5a,6a]C[5])(B[5a]C[5a,6a]CC)(C[5]C[6a]C[5]){1|H<1>,5|C<3>}	95.0729	0.249	4	95.0729	0.062	4	95.0729	0.062	4	95.0729	0.062	4	95.4208	0.335	6	95.5845	6.447	21
679	727	813	5:SP3_SP2_SP2	B[5a]	C[5a,6a]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	C[5a,6a]-3:N[5a,6]-3:F-1:F-1:	N[5a,6a]-3:B[5a]-4:C[6a]-3:	C[5a,6]-3:B[5a]-4:C[6]-3:	B[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6])(F)2	C[5a,6a](N[5a,6a]C[5a,6]C[6a])(B[5a]N[5a,6]FF)(C[6a]C[6a]H)	N[5a,6](C[5a,6]N[5a,6a]C[6])(B[5a]C[5a,6a]FF)(C[6]C[6]H)	B[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6])(F)2{2|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a,6]C[6a])(B[5a]N[5a,6]FF)(C[6a]C[6a]H){1|H<1>,1|O<1>,3|C<3>}	N[5a,6](C[5a,6]N[5a,6a]C[6])(B[5a]C[5a,6a]FF)(C[6]C[6]H){2|H<1>,3|C<3>}	97.0318	0.341	2	97.0318	0.116	2	97.0318	0.116	2	97.0318	0.116	2	97.0318	0.116	2	95.5845	6.447	21
679	727	813	5:SP3_SP2_SP2	B[5a]	C[5a]	N[5a,5a]	3:3:3:3:	4:2:2:	3:4:3:	N[5a,5a]-3:C[5a]-3:N[5]-3:N[5]-3:	B[5a]-4:S[5a]-2:N-2:	C[5a,5a]-3:B[5a]-4:C[5a]-3:	B[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]N)(N[5]C[5]2)2	C[5a](B[5a]N[5a,5a]N[5]2)(S[5a]C[5a,5a])(NC[6a])	N[5a,5a](C[5a,5a]N[5a]S[5a])(B[5a]C[5a]N[5]2)(C[5a]C[5a]H)	B[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]N)(N[5]C[5]2)2{2|S<1>,3|C<3>,3|H<1>,3|N<3>}	C[5a](B[5a]N[5a,5a]N[5]2)(S[5a]C[5a,5a])(NC[6a]){1|N<3>,5|C<3>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(B[5a]C[5a]N[5]2)(C[5a]C[5a]H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	101.2530	0.000	1	101.2530	0.000	1	101.2530	0.000	1	101.2530	0.000	1	101.3955	0.041	2	95.5845	6.447	21
679	727	813	5:SP3_SP2_SP2	B[5a]	C[5a]	N[5a,5a]	3:3:3:3:	4:2:3:	3:4:3:	N[5a,5a]-3:C[5a]-3:N[5]-3:N[5]-3:	B[5a]-4:S[5a]-2:N-3:	C[5a,5a]-3:B[5a]-4:C[5a]-3:	B[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]N)(N[5]C[5]2)2	C[5a](B[5a]N[5a,5a]N[5]2)(S[5a]C[5a,5a])(NC[6a]Ru)	N[5a,5a](C[5a,5a]N[5a]S[5a])(B[5a]C[5a]N[5]2)(C[5a]C[5a]H)	B[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]N)(N[5]C[5]2)2{2|S<2>,3|C<3>,3|H<1>,3|N<3>}	C[5a](B[5a]N[5a,5a]N[5]2)(S[5a]C[5a,5a])(NC[6a]Ru){1|N<3>,5|C<3>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(B[5a]C[5a]N[5]2)(C[5a]C[5a]H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	101.5380	0.000	1	101.5380	0.000	1	101.5380	0.000	1	101.5380	0.000	1	101.3955	0.041	2	95.5845	6.447	21
679	727	813	5:SP3_SP2_SP2	B[5a]	C[5a]	N[5a]	3:3:3:3:	4:3:2:	4:3:4:	C[5a]-3:C[6a]-3:C[6a]-3:N[5a]-3:	B[5a]-4:N[5a]-3:N-2:	B[5a]-4:C[5a]-3:C-4:	B[5a](C[5a]N[5a]N)(C[6a]C[6a]2)2(N[5a]C[5a]C)	C[5a](B[5a]C[6a]2N[5a])(N[5a]C[5a]C)(NC)	N[5a](B[5a]C[5a]C[6a]2)(C[5a]N[5a]H)(CCCH)	B[5a](C[5a]N[5a]N)(C[6a]C[6a]2)2(N[5a]C[5a]C){1|C<4>,1|H<1>,4|C<3>,4|F<1>}	C[5a](B[5a]C[6a]2N[5a])(N[5a]C[5a]C)(NC){1|C<4>,1|H<1>,4|C<3>}	N[5a](B[5a]C[5a]C[6a]2)(C[5a]N[5a]H)(CCCH){1|C<4>,1|N<2>,4|C<3>}	97.2577	0.000	1	97.2577	0.000	1	97.2577	0.000	1	97.2577	0.000	1	95.9575	1.696	3	95.5845	6.447	21
679	727	813	5:SP3_SP2_SP2	B[5a]	C[5a]	N[5a]	3:3:4:3:	4:3:2:	4:3:4:	C[5a]-3:N[5a]-3:C[6]-4:C[6]-3:	B[5a]-4:N[5a]-3:N-2:	B[5a]-4:C[5a]-3:C-4:	B[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(C[6]C[6]2H)(C[6]C[6]2)	C[5a](B[5a]N[5a]C[6]2)(N[5a]C[5a]C)(NC[6a])	N[5a](B[5a]C[5a]C[6]2)(C[5a]N[5a]N)(CCCH)	B[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(C[6]C[6]2H)(C[6]C[6]2){1|N<3>,5|C<4>,8|H<1>}	C[5a](B[5a]N[5a]C[6]2)(N[5a]C[5a]C)(NC[6a]){1|H<1>,1|N<3>,5|C<4>}	N[5a](B[5a]C[5a]C[6]2)(C[5a]N[5a]N)(CCCH){1|H<1>,1|N<2>,5|C<4>}	95.9618	0.000	1	95.9618	0.000	1	95.9618	0.000	1	95.9618	0.000	1	95.9575	1.696	3	95.5845	6.447	21
679	727	813	5:SP3_SP2_SP2	B[5a]	C[5a]	N[5a]	3:3:4:4:	4:3:2:	4:3:3:	N[5a]-3:C[5a]-3:C[6]-4:C[6]-4:	B[5a]-4:N[5a]-3:N-2:	B[5a]-4:C[5a]-3:C[6a]-3:	B[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]N)(C[6]C[6]2H)2	C[5a](B[5a]N[5a]C[6]2)(N[5a]C[5a]C)(NC[6a])	N[5a](B[5a]C[5a]C[6]2)(C[5a]N[5a]N)(C[6a]C[6a]2)	B[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]N)(C[6]C[6]2H)2{1|N<3>,2|C<3>,5|C<4>,8|H<1>}	C[5a](B[5a]N[5a]C[6]2)(N[5a]C[5a]C)(NC[6a]){1|C<3>,1|N<3>,2|H<1>,4|C<4>}	N[5a](B[5a]C[5a]C[6]2)(C[5a]N[5a]N)(C[6a]C[6a]2){1|N<2>,2|C<3>,4|H<1>,5|C<4>}	94.6529	0.000	1	94.6529	0.000	1	94.6529	0.000	1	94.6529	0.000	1	95.9575	1.696	3	95.5845	6.447	21
679	727	830	0:SP3_SP-NON_SP2	B[5a]	C[5,5a]	F	3:3:3:1:	4:3:3:	4:	C[5,5a]-3:N[5a]-3:C[6a]-3:F-1:	B[5a]-4:N[5,5a]-3:N[5]-3:	B[5a]-4:	B[5a](C[5,5a]N[5,5a]N[5])(N[5a]C[5a]C[6a])(C[6a]C[6a]2)(F)	C[5,5a](B[5a]C[6a]N[5a]F)(N[5,5a]C[5a]C[5])(N[5]C[3x6]C[5])	F(B[5a]C[5,5a]C[6a]N[5a])	B[5a](C[5,5a]N[5,5a]N[5])(N[5a]C[5a]C[6a])(C[6a]C[6a]2)(F){4|C<3>,6|C<4>}	C[5,5a](B[5a]C[6a]N[5a]F)(N[5,5a]C[5a]C[5])(N[5]C[3x6]C[5]){3|C<3>,4|C<4>,4|H<1>}	F(B[5a]C[5,5a]C[6a]N[5a])	108.0870	0.000	1	108.0870	0.000	1	108.0870	0.000	1	108.0870	0.000	1	108.0870	0.000	1	114.6729	7.203	9
679	727	830	0:SP3_SP-NON_SP2	B[5a]	C[5a,6a]	F	3:3:1:1:	3:4:3:	4:	C[5a,6a]-3:N[5,5a]-3:F-1:F-1:	C[5a,6a]-3:B[5a]-4:C[6a]-3:	B[5a]-4:	B[5a](C[5a,6a]C[5a,6a]C[6a])(N[5,5a]N[5,5a]C[5])(F)2	C[5a,6a](C[5a,6a]N[5,5a]N[6a])(B[5a]N[5,5a]FF)(C[6a]C[6a]2)	F(B[5a]C[5a,6a]N[5,5a]F)	B[5a](C[5a,6a]C[5a,6a]C[6a])(N[5,5a]N[5,5a]C[5])(F)2{1|C<4>,1|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]N[5,5a]N[6a])(B[5a]N[5,5a]FF)(C[6a]C[6a]2){1|N<2>,1|N<3>,4|C<3>}	F(B[5a]C[5a,6a]N[5,5a]F)	115.7285	1.563	2	115.7285	2.444	2	115.6030	2.223	4	115.4961	1.261	8	115.4961	1.261	8	114.6729	7.203	9
679	727	830	0:SP3_SP-NON_SP2	B[5a]	C[5a,6a]	F	3:3:1:1:	3:4:3:	4:	C[5a,6a]-3:N[5,5a]-3:F-1:F-1:	C[5a,6a]-3:B[5a]-4:C[6a]-3:	B[5a]-4:	B[5a](C[5a,6a]C[5a,6a]C[6a])(N[5,5a]N[5,5a]C[5])(F)2	C[5a,6a](C[5a,6a]N[5,5a]N[6a])(B[5a]N[5,5a]FF)(C[6a]C[6a]C)	F(B[5a]C[5a,6a]N[5,5a]F)	B[5a](C[5a,6a]C[5a,6a]C[6a])(N[5,5a]N[5,5a]C[5])(F)2{1|N<2>,2|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]N[5,5a]N[6a])(B[5a]N[5,5a]FF)(C[6a]C[6a]C){1|N<2>,1|N<3>,2|C<3>}	F(B[5a]C[5a,6a]N[5,5a]F)	115.4775	2.040	2	115.4775	4.162	2	115.6030	2.223	4	115.4961	1.261	8	115.4961	1.261	8	114.6729	7.203	9
679	727	830	0:SP3_SP-NON_SP2	B[5a]	C[5a,6a]	F	3:3:1:1:	3:4:3:	4:	C[5a,6a]-3:N[5a,6]-3:F-1:F-1:	N[5a,6a]-3:B[5a]-4:C[6a]-3:	B[5a]-4:	B[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6])(F)2	C[5a,6a](N[5a,6a]C[5a,6]C[6a])(B[5a]N[5a,6]FF)(C[6a]C[6a]H)	F(B[5a]C[5a,6a]N[5a,6]F)	B[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6])(F)2{2|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a,6]C[6a])(B[5a]N[5a,6]FF)(C[6a]C[6a]H){1|H<1>,1|O<1>,3|C<3>}	F(B[5a]C[5a,6a]N[5a,6]F)	115.3893	0.830	4	115.3893	0.689	4	115.3893	0.689	4	115.4961	1.261	8	115.4961	1.261	8	114.6729	7.203	9
679	727	933	0:SP3_SP2_SP2	B[5,6a]	C[5,6a]	O[6a]	3:4:2:2:	4:3:3:	4:3:	C[5,6a]-3:N[5]-4:O[6a]-2:O[6a]-2:	B[5,6a]-4:C[5,6a]-3:C[6a]-3:	B[5,6a]-4:B[6a]-3:	B[5,6a](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(O[6a]B[6a])2	C[5,6a](B[5,6a]O[6a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	O[6a](B[5,6a]C[5,6a]O[6a]N[5])(B[6a]C[6a]O[6a])	B[5,6a](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(O[6a]B[6a])2{1|O<2>,3|H<1>,4|C<3>}	C[5,6a](B[5,6a]O[6a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,2|B<3>,2|C<4>,4|H<1>}	O[6a](B[5,6a]C[5,6a]O[6a]N[5])(B[6a]C[6a]O[6a]){1|B<3>,3|C<4>,4|C<3>}	115.6540	2.599	6	115.6540	6.757	6	115.6540	6.757	6	115.6540	6.757	6	115.6540	6.757	6	115.6540	6.757	6
679	727	976	0:SP3_SP2_SP3	B[5,5a]	C[5a,6a]	O[5]	3:3:2:2:	3:4:3:	4:4:	C[5a,6a]-3:N[5a,6]-3:O[5]-2:O[5]-2:	N[5a,6a]-3:B[5,5a]-4:C[6a]-3:	B[5,5a]-4:C[5]-4:	B[5,5a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6])(O[5]C[5])2	C[5a,6a](N[5a,6a]C[5a,6]C[6a])(B[5,5a]N[5a,6]O[5]2)(C[6a]C[6a]H)	O[5](B[5,5a]C[5a,6a]N[5a,6]O[5])(C[5]C[5]CC)	B[5,5a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6])(O[5]C[5])2{2|H<1>,4|C<3>,4|C<4>}	C[5a,6a](N[5a,6a]C[5a,6]C[6a])(B[5,5a]N[5a,6]O[5]2)(C[6a]C[6a]H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	O[5](B[5,5a]C[5a,6a]N[5a,6]O[5])(C[5]C[5]CC){1|N<3>,2|C<4>,3|C<3>}	116.3953	3.984	4	116.3953	15.873	4	116.3953	15.873	4	116.3953	15.873	4	116.3953	15.873	4	116.3953	15.873	4
679	727	976	5:SP3_SP2_SP2	B[5,5a]	C[5,6a]	O[5]	3:3:2:2:	4:3:3:	4:3:	N[5a,6]-3:C[5,6a]-3:O[5a]-2:O[5]-2:	B[5,5a]-4:C[5,6a]-3:C[6a]-3:	B[5,5a]-4:B[5]-3:	B[5,5a](N[5a,6]C[5a,6,6a]C[6])(C[5,6a]C[5,6a]C[6a])(O[5a]C[5a,6a])(O[5]B[5])	C[5,6a](B[5,5a]N[5a,6]O[5a]O[5])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	O[5](B[5,5a]C[5,6a]N[5a,6]O[5a])(B[5]C[5,6a]O)	B[5,5a](N[5a,6]C[5a,6,6a]C[6])(C[5,6a]C[5,6a]C[6a])(O[5a]C[5a,6a])(O[5]B[5]){1|O<2>,2|H<1>,5|C<3>}	C[5,6a](B[5,5a]N[5a,6]O[5a]O[5])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	O[5](B[5,5a]C[5,6a]N[5a,6]O[5a])(B[5]C[5,6a]O){5|C<3>}	104.9450	0.000	1	104.9450	0.000	1	104.9450	0.000	1	104.9450	0.000	1	104.9450	0.000	1	104.9450	0.000	1
679	727	980	5:SP3_SP2_SP3	B[5,5a]	C[5,6a]	N[4,5]	3:4:2:2:	4:3:3:	4:4:4:4:	C[5,6a]-3:N[4,5]-4:O[5a]-2:O[5a]-2:	B[5,5a]-4:C[5,6a]-3:C[6a]-3:	B[5,5a]-4:C[5]-4:C[4]-4:C[4]-4:	B[5,5a](C[5,6a]C[5,6a]C[6a])(N[4,5]C[4]2C[5])(O[5a]C[5a,6a])2	C[5,6a](B[5,5a]N[4,5]O[5a]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[4,5](B[5,5a]C[5,6a]O[5a]2)(C[5]C[5,6a]HH)(C[4]C[4]HH)2	B[5,5a](C[5,6a]C[5,6a]C[6a])(N[4,5]C[4]2C[5])(O[5a]C[5a,6a])2{1|C<4>,4|C<3>,7|H<1>}	C[5,6a](B[5,5a]N[4,5]O[5a]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	N[4,5](B[5,5a]C[5,6a]O[5a]2)(C[5]C[5,6a]HH)(C[4]C[4]HH)2{2|C<4>,4|C<3>}	97.4958	0.084	2	97.4958	0.007	2	97.4958	0.007	2	97.4958	0.007	2	97.4958	0.007	2	97.4958	0.007	2
679	727	999	5:SP3_SP2_SP3	B[5,6a]	C[5,6a]	N[5]	3:4:2:2:	4:3:3:	4:4:4:4:	C[5,6a]-3:N[5]-4:O[6a]-2:O[6a]-2:	B[5,6a]-4:C[5,6a]-3:C[6a]-3:	B[5,6a]-4:C[5]-4:C-4:C-4:	B[5,6a](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(O[6a]B[6a])2	C[5,6a](B[5,6a]O[6a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[5](B[5,6a]C[5,6a]O[6a]2)(C[5]C[5,6a]HH)(CH3)2	B[5,6a](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(O[6a]B[6a])2{1|O<2>,3|H<1>,4|C<3>}	C[5,6a](B[5,6a]O[6a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,2|B<3>,2|C<4>,4|H<1>}	N[5](B[5,6a]C[5,6a]O[6a]2)(C[5]C[5,6a]HH)(CH3)2{2|B<3>,2|C<3>}	96.6839	0.257	3	96.6839	0.066	3	96.6839	0.066	3	96.6839	0.066	3	96.6839	0.066	3	96.6839	0.066	3
679	762	813	0:SP3_SP2_SP2	B[5a]	C[6]	N[5a]	3:3:4:3:	4:4:4:	4:3:4:	C[5a]-3:N[5a]-3:C[6]-4:C[6]-3:	B[5a]-4:C[6]-4:C[6]-4:	B[5a]-4:C[5a]-3:C-4:	B[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(C[6]C[6]2H)(C[6]C[6]2)	C[6](B[5a]C[5a]N[5a]C[6])(C[6]C[6]HH)2	N[5a](B[5a]C[5a]C[6]2)(C[5a]N[5a]N)(CCCH)	B[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(C[6]C[6]2H)(C[6]C[6]2){1|N<3>,5|C<4>,8|H<1>}	C[6](B[5a]C[5a]N[5a]C[6])(C[6]C[6]HH)2{1|C<3>,1|N<2>,1|N<3>,4|C<4>,5|H<1>}	N[5a](B[5a]C[5a]C[6]2)(C[5a]N[5a]N)(CCCH){1|H<1>,1|N<2>,5|C<4>}	109.5290	0.000	1	109.5290	0.000	1	109.5290	0.000	1	109.5290	0.000	1	109.5290	0.000	1	109.5290	0.000	1
679	762	893	0:SP3_SP2_SP2	B[5a]	C[6]	O	2:2:3:2:	3:4:3:	4:3:	O[5a]-2:O[5a]-2:C[6]-3:O-2:	N[6]-3:B[5a]-4:B[6]-3:	B[5a]-4:C[6a]-3:	B[5a](O[5a]C[5a,6a])2(C[6]B[6]N[6])(OC[6a])	C[6](N[6]C[6a]C[6])(B[5a]O[5a]2O)(B[6]N[6]O)	O(B[5a]O[5a]2C[6])(C[6a]C[6a]2)	B[5a](O[5a]C[5a,6a])2(C[6]B[6]N[6])(OC[6a]){1|C<4>,1|N<3>,1|O<2>,3|C<3>}	C[6](N[6]C[6a]C[6])(B[5a]O[5a]2O)(B[6]N[6]O){1|C<4>,2|H<1>,5|C<3>}	O(B[5a]O[5a]2C[6])(C[6a]C[6a]2)	104.8580	0.000	1	104.8580	0.000	1	104.8580	0.000	1	104.8580	0.000	1	104.8580	0.000	1	104.8580	0.000	1
679	790	790	0:SP3_SP-NON_SP-NON	B[5a]	Cl	Cl	3:3:1:1:	4:	4:	C[5a,5a]-3:N[5a,6]-3:Cl-1:Cl-1:	B[5a]-4:	B[5a]-4:	B[5a](C[5a,5a]N[5a,5a]C[5a])(N[5a,6]C[5a,6]C[6])(Cl)2	Cl(B[5a]C[5a,5a]N[5a,6]Cl)	Cl(B[5a]C[5a,5a]N[5a,6]Cl)	B[5a](C[5a,5a]N[5a,5a]C[5a])(N[5a,6]C[5a,6]C[6])(Cl)2{2|H<1>,4|C<3>}	Cl(B[5a]C[5a,5a]N[5a,6]Cl)	Cl(B[5a]C[5a,5a]N[5a,6]Cl)	109.6970	0.000	1	109.6970	0.000	1	109.6970	0.000	1	110.6110	4.065	6	110.6110	4.065	6	110.6110	4.065	6
679	790	790	0:SP3_SP-NON_SP-NON	B[5a]	Cl	Cl	3:3:1:1:	4:	4:	N[5a,6a]-3:N[5a,6a]-3:Cl-1:Cl-1:	B[5a]-4:	B[5a]-4:	B[5a](N[5a,6a]C[5a,6a]C[6a,6a])2(Cl)2	Cl(B[5a]N[5a,6a]2Cl)	Cl(B[5a]N[5a,6a]2Cl)	B[5a](N[5a,6a]C[5a,6a]C[6a,6a])2(Cl)2{6|C<3>}	Cl(B[5a]N[5a,6a]2Cl)	Cl(B[5a]N[5a,6a]2Cl)	111.3155	2.057	2	111.3155	4.231	2	110.2500	4.469	4	110.6110	4.065	6	110.6110	4.065	6	110.6110	4.065	6
679	790	790	0:SP3_SP-NON_SP-NON	B[5a]	Cl	Cl	3:3:1:1:	4:	4:	N[5a,6a]-3:N[5a,6a]-3:Cl-1:Cl-1:	B[5a]-4:	B[5a]-4:	B[5a](N[5a,6a]C[5a,6a]C[6a])2(Cl)2	Cl(B[5a]N[5a,6a]2Cl)	Cl(B[5a]N[5a,6a]2Cl)	B[5a](N[5a,6a]C[5a,6a]C[6a])2(Cl)2{2|H<1>,4|C<3>}	Cl(B[5a]N[5a,6a]2Cl)	Cl(B[5a]N[5a,6a]2Cl)	109.1845	2.153	2	109.1845	4.636	2	110.2500	4.469	4	110.6110	4.065	6	110.6110	4.065	6	110.6110	4.065	6
679	790	790	0:SP3_SP-NON_SP-NON	B[5a]	Cl	Cl	3:3:1:1:	4:	4:	N[5a]-3:N[5a]-3:Cl-1:Cl-1:	B[5a]-4:	B[5a]-4:	B[5a](N[5a]C[5a]C[6a])2(Cl)2	Cl(B[5a]N[5a]2Cl)	Cl(B[5a]N[5a]2Cl)	B[5a](N[5a]C[5a]C[6a])2(Cl)2{2|H<1>,4|C<3>}	Cl(B[5a]N[5a]2Cl)	Cl(B[5a]N[5a]2Cl)	112.9690	0.000	1	112.9690	0.000	1	112.9690	0.000	1	110.6110	4.065	6	110.6110	4.065	6	110.6110	4.065	6
679	790	813	0:SP3_SP-NON_SP2	B[5a]	Cl	N[5a,6]	3:3:1:1:	4:	3:4:3:	C[5a,5a]-3:N[5a,6]-3:Cl-1:Cl-1:	B[5a]-4:	C[5a,6]-3:B[5a]-4:C[6]-3:	B[5a](C[5a,5a]N[5a,5a]C[5a])(N[5a,6]C[5a,6]C[6])(Cl)2	Cl(B[5a]C[5a,5a]N[5a,6]Cl)	N[5a,6](C[5a,6]N[5a,5a]C[6])(B[5a]C[5a,5a]Cl2)(C[6]C[6]H)	B[5a](C[5a,5a]N[5a,5a]C[5a])(N[5a,6]C[5a,6]C[6])(Cl)2{2|H<1>,4|C<3>}	Cl(B[5a]C[5a,5a]N[5a,6]Cl)	N[5a,6](C[5a,6]N[5a,5a]C[6])(B[5a]C[5a,5a]Cl2)(C[6]C[6]H){2|H<1>,3|C<3>}	109.4685	0.463	2	109.4685	0.215	2	109.4685	0.215	2	109.4685	0.215	2	109.4685	0.215	2	111.5592	2.046	20
679	790	813	0:SP3_SP-NON_SP2	B[5a]	Cl	N[5a,6a]	3:3:1:1:	4:	3:3:4:	N[5a,6a]-3:N[5a,6a]-3:Cl-1:Cl-1:	B[5a]-4:	C[5a,6a]-3:C[6a,6a]-3:B[5a]-4:	B[5a](N[5a,6a]C[5a,6a]C[6a,6a])2(Cl)2	Cl(B[5a]N[5a,6a]2Cl)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(B[5a]N[5a,6a]Cl2)	B[5a](N[5a,6a]C[5a,6a]C[6a,6a])2(Cl)2{6|C<3>}	Cl(B[5a]N[5a,6a]2Cl)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(B[5a]N[5a,6a]Cl2){2|H<1>,5|C<3>}	111.4081	1.251	8	111.4081	1.565	8	111.4081	1.565	8	111.4081	1.565	8	111.8235	1.285	14	111.5592	2.046	20
679	790	813	0:SP3_SP-NON_SP2	B[5a]	Cl	N[5a,6a]	3:3:1:1:	4:	3:4:3:	N[5a,6a]-3:N[5a,6a]-3:Cl-1:Cl-1:	B[5a]-4:	C[5a,6a]-3:B[5a]-4:C[6a]-3:	B[5a](N[5a,6a]C[5a,6a]C[6a])2(Cl)2	Cl(B[5a]N[5a,6a]2Cl)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]Cl2)(C[6a]C[6a]H)	B[5a](N[5a,6a]C[5a,6a]C[6a])2(Cl)2{2|H<1>,4|C<3>}	Cl(B[5a]N[5a,6a]2Cl)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]Cl2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	112.3773	0.711	6	112.3773	0.505	6	112.3773	0.505	6	112.3773	0.505	6	111.8235	1.285	14	111.5592	2.046	20
679	790	813	0:SP3_SP-NON_SP2	B[5a]	Cl	N[5a]	3:3:1:1:	4:	4:3:3:	N[5a]-3:N[5a]-3:Cl-1:Cl-1:	B[5a]-4:	B[5a]-4:C[5a]-3:C[6a]-3:	B[5a](N[5a]C[5a]C[6a])2(Cl)2	Cl(B[5a]N[5a]2Cl)	N[5a](B[5a]N[5a]Cl2)(C[5a]C[5a]H)(C[6a]C[6a]2)	B[5a](N[5a]C[5a]C[6a])2(Cl)2{2|H<1>,4|C<3>}	Cl(B[5a]N[5a]2Cl)	N[5a](B[5a]N[5a]Cl2)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	111.6792	2.014	4	111.6792	4.056	4	111.6792	4.056	4	111.6792	4.056	4	111.6792	4.056	4	111.5592	2.046	20
679	790	892	0:SP3_SP-NON_SP3	B[5a]	Cl	N	2:2:4:1:	4:	4:4:4:4:	O[5a]-2:O[5a]-2:N-4:Cl-1:	B[5a]-4:	B[5a]-4:C-4:C-4:C-4:	B[5a](O[5a]C[5a,6a])2(NC3)(Cl)	Cl(B[5a]O[5a]2N)	N(B[5a]O[5a]2Cl)(CCHH)3	B[5a](O[5a]C[5a,6a])2(NC3)(Cl){2|C<3>}	Cl(B[5a]O[5a]2N)	N(B[5a]O[5a]2Cl)(CCHH)3	106.8630	0.000	1	106.8630	0.000	1	106.8630	0.000	1	106.8630	0.000	1	106.8630	0.000	1	106.8630	0.000	1
679	790	992	0:SP3_SP-NON_SP3	B[5a]	Cl	P	2:2:4:1:	4:	4:4:4:4:	O[5a]-2:O[5a]-2:P-4:Cl-1:	B[5a]-4:	B[5a]-4:C-4:C-4:C-4:	B[5a](O[5a]C[5a,6a])2(PC3)(Cl)	Cl(B[5a]O[5a]2P)	P(B[5a]O[5a]2Cl)(CC3)3	B[5a](O[5a]C[5a,6a])2(PC3)(Cl){2|C<3>}	Cl(B[5a]O[5a]2P)	P(B[5a]O[5a]2Cl)(CC3)3	109.5910	0.000	1	109.5910	0.000	1	106.5215	5.590	4	106.3388	4.359	5	106.3388	4.359	5	106.3388	4.359	5
679	790	992	0:SP3_SP-NON_SP3	B[5a]	Cl	P	2:2:4:1:	4:	4:4:4:4:	O[5a]-2:O[5a]-2:P-4:Cl-1:	B[5a]-4:	B[5a]-4:C-4:C-4:C-4:	B[5a](O[5a]C[5a,6a])2(PC3)(Cl)	Cl(B[5a]O[5a]2P)	P(B[5a]O[5a]2Cl)(CCHH)3	B[5a](O[5a]C[5a,6a])2(PC3)(Cl){2|C<3>}	Cl(B[5a]O[5a]2P)	P(B[5a]O[5a]2Cl)(CCHH)3	107.1730	0.000	1	107.1730	0.000	1	106.5215	5.590	4	106.3388	4.359	5	106.3388	4.359	5	106.3388	4.359	5
679	790	992	0:SP3_SP-NON_SP3	B[5a]	Cl	P	2:2:4:1:	4:	4:4:4:4:	O[5a]-2:O[5a]-2:P-4:Cl-1:	B[5a]-4:	B[5a]-4:C-4:C-4:C-4:	B[5a](O[5a]C[5a,6a])2(PC3)(Cl)	Cl(B[5a]O[5a]2P)	P(B[5a]O[5a]2Cl)(CH3)3	B[5a](O[5a]C[5a,6a])2(PC3)(Cl){2|C<3>}	Cl(B[5a]O[5a]2P)	P(B[5a]O[5a]2Cl)(CH3)3	104.6610	0.028	2	104.6610	0.001	2	106.5215	5.590	4	106.3388	4.359	5	106.3388	4.359	5	106.3388	4.359	5
679	790	992	0:SP3_SP-NON_SP3	B[5a]	Cl	P	2:2:4:1:	4:	4:4:4:4:	O[5a]-2:O[5a]-2:P-4:Cl-1:	B[5a]-4:	B[5a]-4:C[6]-4:C[6]-4:C[6]-4:	B[5a](O[5a]C[5a,6a])2(PC[6]3)(Cl)	Cl(B[5a]O[5a]2P)	P(B[5a]O[5a]2Cl)(C[6]C[6]2H)3	B[5a](O[5a]C[5a,6a])2(PC[6]3)(Cl){2|C<3>}	Cl(B[5a]O[5a]2P)	P(B[5a]O[5a]2Cl)(C[6]C[6]2H)3	105.6080	0.000	1	105.6080	0.000	1	105.6080	0.000	1	106.3388	4.359	5	106.3388	4.359	5	106.3388	4.359	5
679	813	813	0:SP3_SP2_SP2	B[5a]	N[5,5a]	N[5a]	3:3:4:3:	4:3:3:	4:3:2:	N[5,5a]-3:N[5a]-3:N[5a]-4:C[6a]-3:	B[5a]-4:N[5,5a]-3:C[5]-3:	B[5a]-4:C[5a]-3:N[5a]-2:	B[5a](N[5,5a]N[5,5a]C[5])(N[5a]C[5a]N[5a])(N[5a]B[5a]CH)(C[6a]C[6a]2)	N[5,5a](B[5a]C[6a]N[5a]2)(N[5,5a]B[5a]C[5])(C[5]C[5]H)	N[5a](B[5a]N[5,5a]C[6a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a])	B[5a](N[5,5a]N[5,5a]C[5])(N[5a]C[5a]N[5a])(N[5a]B[5a]CH)(C[6a]C[6a]2){1|N<3>,4|H<1>,7|C<3>}	N[5,5a](B[5a]C[6a]N[5a]2)(N[5,5a]B[5a]C[5])(C[5]C[5]H){1|C<4>,1|N<2>,1|N<3>,3|H<1>,4|C<3>}	N[5a](B[5a]N[5,5a]C[6a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]){1|B<4>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	108.9295	0.095	2	108.9295	0.009	2	108.9295	0.009	2	108.9295	0.009	2	108.9295	0.009	2	108.9295	0.009	2
679	813	813	5:SP3_SP2_SP2	B[5,5a]	N[5a,6a]	N[5a]	3:3:2:2:	3:4:3:	4:3:3:	N[5a,6a]-3:N[5a]-3:O[5]-2:O[5]-2:	C[5a,6a]-3:B[5,5a]-4:C[6a]-3:	B[5,5a]-4:C[5a]-3:C[6a]-3:	B[5,5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])(O[5]C[5])2	N[5a,6a](C[5a,6a]C[5a]C[6a])(B[5,5a]N[5a]O[5]2)(C[6a]C[6a]H)	N[5a](B[5,5a]N[5a,6a]O[5]2)(C[5a]C[5a,6a]C)(C[6a]C[6a]2)	B[5,5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])(O[5]C[5])2{1|H<1>,4|C<4>,5|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(B[5,5a]N[5a]O[5]2)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	N[5a](B[5,5a]N[5a,6a]O[5]2)(C[5a]C[5a,6a]C)(C[6a]C[6a]2){4|C<3>,4|C<4>}	94.4921	0.000	1	94.4921	0.000	1	94.4921	0.000	1	94.4921	0.000	1	94.4921	0.000	1	95.0973	3.076	71
679	813	813	5:SP3_SP2_SP2	B[5a,6,6]	N[5a,6a]	N[5a,6a]	3:3:4:4:	4:3:3:	4:3:3:	N[5a,6a]-3:N[5a,6a]-3:C[6,6]-4:C[6,6]-4:	B[5a,6,6]-4:C[5a,6a]-3:C[6a]-3:	B[5a,6,6]-4:C[5a,6a]-3:C[6a]-3:	B[5a,6,6](N[5a,6a]C[5a,6a]C[6a])2(C[6,6]C[6]2H)2	N[5a,6a](B[5a,6,6]N[5a,6a]C[6,6]2)(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a,6a](B[5a,6,6]N[5a,6a]C[6,6]2)(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	B[5a,6,6](N[5a,6a]C[5a,6a]C[6a])2(C[6,6]C[6]2H)2{10|H<1>,2|C<4>,4|C<3>}	N[5a,6a](B[5a,6,6]N[5a,6a]C[6,6]2)(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|C<2>,3|C<3>,3|H<1>,4|C<4>}	N[5a,6a](B[5a,6,6]N[5a,6a]C[6,6]2)(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|C<2>,3|C<3>,3|H<1>,4|C<4>}	94.9978	0.000	1	94.8163	0.070	7	94.8163	0.070	7	94.8163	0.070	7	94.8163	0.070	7	95.0973	3.076	71
679	813	813	5:SP3_SP2_SP2	B[5a,6,6]	N[5a,6a]	N[5a,6a]	3:3:4:4:	4:3:3:	4:3:3:	N[5a,6a]-3:N[5a,6a]-3:C[6,6]-4:C[6,6]-4:	B[5a,6,6]-4:C[5a,6a]-3:C[6a]-3:	B[5a,6,6]-4:C[5a,6a]-3:C[6a]-3:	B[5a,6,6](N[5a,6a]C[5a,6a]C[6a])2(C[6,6]C[6]2H)2	N[5a,6a](B[5a,6,6]N[5a,6a]C[6,6]2)(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a,6a](B[5a,6,6]N[5a,6a]C[6,6]2)(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	B[5a,6,6](N[5a,6a]C[5a,6a]C[6a])2(C[6,6]C[6]2H)2{10|H<1>,2|C<4>,4|C<3>}	N[5a,6a](B[5a,6,6]N[5a,6a]C[6,6]2)(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){3|C<3>,4|C<4>,4|H<1>}	N[5a,6a](B[5a,6,6]N[5a,6a]C[6,6]2)(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){3|C<3>,4|C<4>,4|H<1>}	94.7422	0.284	5	94.8163	0.070	7	94.8163	0.070	7	94.8163	0.070	7	94.8163	0.070	7	95.0973	3.076	71
679	813	813	5:SP3_SP2_SP2	B[5a,6,6]	N[5a,6a]	N[5a,6a]	3:3:4:4:	4:3:3:	4:3:3:	N[5a,6a]-3:N[5a,6a]-3:C[6,6]-4:C[6,6]-4:	B[5a,6,6]-4:C[5a,6a]-3:C[6a]-3:	B[5a,6,6]-4:C[5a,6a]-3:C[6a]-3:	B[5a,6,6](N[5a,6a]C[5a,6a]C[6a])2(C[6,6]C[6]2H)2	N[5a,6a](B[5a,6,6]N[5a,6a]C[6,6]2)(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a,6a](B[5a,6,6]N[5a,6a]C[6,6]2)(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	B[5a,6,6](N[5a,6a]C[5a,6a]C[6a])2(C[6,6]C[6]2H)2{10|H<1>,2|C<4>,4|C<3>}	N[5a,6a](B[5a,6,6]N[5a,6a]C[6,6]2)(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>,4|C<4>}	N[5a,6a](B[5a,6,6]N[5a,6a]C[6,6]2)(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>,4|C<4>}	95.0054	0.000	1	94.8163	0.070	7	94.8163	0.070	7	94.8163	0.070	7	94.8163	0.070	7	95.0973	3.076	71
679	813	813	5:SP3_SP2_SP2	B[5a]	N[5,5a]	N[5a]	3:3:3:3:	4:3:2:	4:4:2:	N[5,5a]-3:C[6a]-3:C[6a]-3:N[5a]-3:	B[5a]-4:N[5,5a]-3:N[5]-2:	B[5a]-4:B[5a]-4:N-2:	B[5a](N[5,5a]N[5,5a]N[5])(C[6a]C[6a]2)2(N[5a]B[5a]N)	N[5,5a](B[5a]C[6a]2N[5a])(N[5,5a]B[5a]C[5])(N[5]C[5])	N[5a](B[5a]N[5,5a]C[6a]2)2(NN)	B[5a](N[5,5a]N[5,5a]N[5])(C[6a]C[6a]2)2(N[5a]B[5a]N){4|F<1>,8|C<3>}	N[5,5a](B[5a]C[6a]2N[5a])(N[5,5a]B[5a]C[5])(N[5]C[5]){1|N<2>,8|C<3>}	N[5a](B[5a]N[5,5a]C[6a]2)2(NN){1|N<2>,9|C<3>}	92.0165	0.000	1	92.0165	0.000	1	92.0165	0.000	1	92.0165	0.000	1	92.2888	0.864	4	95.0973	3.076	71
679	813	813	5:SP3_SP2_SP2	B[5a]	N[5,5a]	N[5a]	3:3:3:3:	4:3:3:	4:4:2:	N[5,5a]-3:C[6a]-3:C[6a]-3:N[5a]-3:	B[5a]-4:N[5,5a]-3:C[5]-3:	B[5a]-4:B[5a]-4:N-2:	B[5a](N[5,5a]N[5,5a]C[5])(C[6a]C[6a]2)2(N[5a]B[5a]N)	N[5,5a](B[5a]C[6a]2N[5a])(N[5,5a]B[5a]N[5])(C[5]C[5]C)	N[5a](B[5a]N[5,5a]C[6a]2)2(NN)	B[5a](N[5,5a]N[5,5a]C[5])(C[6a]C[6a]2)2(N[5a]B[5a]N){1|N<2>,4|F<1>,8|C<3>}	N[5,5a](B[5a]C[6a]2N[5a])(N[5,5a]B[5a]N[5])(C[5]C[5]C){1|N<2>,7|C<3>}	N[5a](B[5a]N[5,5a]C[6a]2)2(NN){1|N<2>,9|C<3>}	93.1468	0.000	1	93.1468	0.000	1	93.1468	0.000	1	93.1468	0.000	1	92.2888	0.864	4	95.0973	3.076	71
679	813	813	5:SP3_SP2_SP2	B[5a]	N[5,5a]	N[5a]	3:3:4:4:	3:4:2:	4:4:2:	N[5,5a]-3:N[5a]-3:C[6]-4:C[6]-4:	N[5,5a]-3:B[5a]-4:N[5]-2:	B[5a]-4:B[5a]-4:N-2:	B[5a](N[5,5a]N[5,5a]N[5])(N[5a]B[5a]N)(C[6]C[6]2H)2	N[5,5a](N[5,5a]B[5a]C[5])(B[5a]N[5a]C[6]2)(N[5]C[5])	N[5a](B[5a]N[5,5a]C[6]2)2(NN)	B[5a](N[5,5a]N[5,5a]N[5])(N[5a]B[5a]N)(C[6]C[6]2H)2{2|C<3>,6|C<4>,8|H<1>}	N[5,5a](N[5,5a]B[5a]C[5])(B[5a]N[5a]C[6]2)(N[5]C[5]){1|N<2>,1|P<4>,3|H<1>,6|C<4>}	N[5a](B[5a]N[5,5a]C[6]2)2(NN){1|C<3>,1|N<2>,4|H<1>,8|C<4>}	91.0988	0.000	1	91.0988	0.000	1	91.0988	0.000	1	91.0988	0.000	1	92.2888	0.864	4	95.0973	3.076	71
679	813	813	5:SP3_SP2_SP2	B[5a]	N[5,5a]	N[5a]	3:3:4:4:	3:4:3:	4:4:2:	N[5,5a]-3:N[5a]-3:C[6]-4:C[6]-4:	N[5,5a]-3:B[5a]-4:C[5]-3:	B[5a]-4:B[5a]-4:N-2:	B[5a](N[5,5a]N[5,5a]C[5])(N[5a]B[5a]N)(C[6]C[6]2H)2	N[5,5a](N[5,5a]B[5a]N[5])(B[5a]N[5a]C[6]2)(C[5]C[5]H)	N[5a](B[5a]N[5,5a]C[6]2)2(NN)	B[5a](N[5,5a]N[5,5a]C[5])(N[5a]B[5a]N)(C[6]C[6]2H)2{1|C<3>,1|N<2>,6|C<4>,9|H<1>}	N[5,5a](N[5,5a]B[5a]N[5])(B[5a]N[5a]C[6]2)(C[5]C[5]H){1|N<2>,1|P<4>,2|H<1>,6|C<4>}	N[5a](B[5a]N[5,5a]C[6]2)2(NN){1|C<3>,1|N<2>,4|H<1>,8|C<4>}	92.8933	0.000	1	92.8933	0.000	1	92.8933	0.000	1	92.8933	0.000	1	92.2888	0.864	4	95.0973	3.076	71
679	813	813	5:SP3_SP2_SP2	B[5a]	N[5a,5a]	N[5a,6]	3:3:3:3:	3:3:4:	4:3:3:	N[5a,5a]-3:N[5a,6]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,5a]-3:B[5a]-4:	B[5a]-4:C[5a,6]-3:C[6]-3:	B[5a](N[5a,5a]C[5a,5a]C[5a,6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)2	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,6]C[5a])(B[5a]N[5a,6]C[6a]2)	N[5a,6](B[5a]N[5a,5a]C[6a]2)(C[5a,6]C[5a,5a]C[6])(C[6]C[6]H)	B[5a](N[5a,5a]C[5a,5a]C[5a,6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)2{5|H<1>,9|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,6]C[5a])(B[5a]N[5a,6]C[6a]2){2|H<1>,8|C<3>}	N[5a,6](B[5a]N[5a,5a]C[6a]2)(C[5a,6]C[5a,5a]C[6])(C[6]C[6]H){2|H<1>,7|C<3>}	94.1642	0.204	3	94.1642	0.042	3	94.1642	0.042	3	94.1642	0.042	3	93.9478	0.179	6	95.0973	3.076	71
679	813	813	5:SP3_SP2_SP2	B[5a]	N[5a,5a]	N[5a,6]	3:3:3:3:	3:4:2:	4:3:3:	N[5a,5a]-3:N[5a,6]-3:C[6a]-3:C[6a]-3:	C[5a,5a]-3:B[5a]-4:N[5a]-2:	B[5a]-4:C[5a,6]-3:C[6]-3:	B[5a](N[5a,5a]C[5a,5a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)2	N[5a,5a](C[5a,5a]C[5a,6]C[5a])(B[5a]N[5a,6]C[6a]2)(N[5a]C[5a])	N[5a,6](B[5a]N[5a,5a]C[6a]2)(C[5a,6]C[5a,5a]C[6])(C[6]C[6]H)	B[5a](N[5a,5a]C[5a,5a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)2{5|H<1>,8|C<3>}	N[5a,5a](C[5a,5a]C[5a,6]C[5a])(B[5a]N[5a,6]C[6a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,6|C<3>}	N[5a,6](B[5a]N[5a,5a]C[6a]2)(C[5a,6]C[5a,5a]C[6])(C[6]C[6]H){1|N<2>,2|H<1>,6|C<3>}	93.4345	0.000	2	93.4345	0.000	2	93.4345	0.000	2	93.4345	0.000	2	93.9478	0.179	6	95.0973	3.076	71
679	813	813	5:SP3_SP2_SP2	B[5a]	N[5a,5a]	N[5a,6]	3:3:4:4:	3:3:4:	3:4:3:	N[5a,5a]-3:N[5a,6]-3:C[5]-4:C-4:	C[5a,6a]-3:C[5a,5a]-3:B[5a]-4:	C[5a,6]-3:B[5a]-4:C[6]-3:	B[5a](N[5a,5a]C[5a,5a]C[5a,6a])(N[5a,6]C[5a,6]C[6])(C[5]C[5]2Fe)(CH3)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,6]C[5a])(B[5a]N[5a,6]C[5]C)	N[5a,6](C[5a,6]C[5a,5a]C[6])(B[5a]N[5a,5a]C[5]C)(C[6]C[6]H)	B[5a](N[5a,5a]C[5a,5a]C[5a,6a])(N[5a,6]C[5a,6]C[6])(C[5]C[5]2Fe)(CH3){2|C<4>,3|H<1>,5|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,6]C[5a])(B[5a]N[5a,6]C[5]C){1|Fe<10>,2|C<4>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a,5a]C[6])(B[5a]N[5a,5a]C[5]C)(C[6]C[6]H){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	94.3252	0.000	1	94.3252	0.000	1	94.3252	0.000	1	94.3252	0.000	1	93.9478	0.179	6	95.0973	3.076	71
679	813	813	5:SP3_SP2_SP2	B[5a]	N[5a,5a]	N[5a]	3:3:1:1:	3:4:3:	4:2:3:	N[5a,5a]-3:N[5a]-3:F-1:F-1:	C[5a,5a]-3:B[5a]-4:C[5a]-3:	B[5a]-4:N[5a]-2:C[6a]-3:	B[5a](N[5a,5a]C[5a,5a]C[5a])(N[5a]C[6a]N[5a])(F)2	N[5a,5a](C[5a,5a]C[5a]N[5a])(B[5a]N[5a]FF)(C[5a]C[5a]C)	N[5a](B[5a]N[5a,5a]FF)(N[5a]C[5a,5a])(C[6a]C[6a]2)	B[5a](N[5a,5a]C[5a,5a]C[5a])(N[5a]C[6a]N[5a])(F)2{1|C<4>,4|C<3>}	N[5a,5a](C[5a,5a]C[5a]N[5a])(B[5a]N[5a]FF)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>}	N[5a](B[5a]N[5a,5a]FF)(N[5a]C[5a,5a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	94.7850	0.503	2	94.8520	0.140	3	94.7055	0.179	4	94.7055	0.179	4	94.5540	0.386	12	95.0973	3.076	71
679	813	813	5:SP3_SP2_SP2	B[5a]	N[5a,5a]	N[5a]	3:3:1:1:	3:4:3:	4:2:3:	N[5a,5a]-3:N[5a]-3:F-1:F-1:	C[5a,5a]-3:B[5a]-4:C[5a]-3:	B[5a]-4:N[5a]-2:C[6a]-3:	B[5a](N[5a,5a]C[5a,5a]C[5a])(N[5a]C[6a]N[5a])(F)2	N[5a,5a](C[5a,5a]C[5a]N[5a])(B[5a]N[5a]FF)(C[5a]C[5a]C)	N[5a](B[5a]N[5a,5a]FF)(N[5a]C[5a,5a])(C[6a]C[6a]2)	B[5a](N[5a,5a]C[5a,5a]C[5a])(N[5a]C[6a]N[5a])(F)2{1|C<4>,4|C<3>}	N[5a,5a](C[5a,5a]C[5a]N[5a])(B[5a]N[5a]FF)(C[5a]C[5a]C){1|C<3>,2|H<1>}	N[5a](B[5a]N[5a,5a]FF)(N[5a]C[5a,5a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	94.9859	0.000	1	94.8520	0.140	3	94.7055	0.179	4	94.7055	0.179	4	94.5540	0.386	12	95.0973	3.076	71
679	813	813	5:SP3_SP2_SP2	B[5a]	N[5a,5a]	N[5a]	3:3:1:1:	3:4:3:	4:2:3:	N[5a,5a]-3:N[5a]-3:F-1:F-1:	C[5a,5a]-3:B[5a]-4:C[5a]-3:	B[5a]-4:N[5a]-2:C[6a]-3:	B[5a](N[5a,5a]C[5a,5a]C[5a])(N[5a]C[6a]N[5a])(F)2	N[5a,5a](C[5a,5a]C[5a]N[5a])(B[5a]N[5a]FF)(C[5a]C[5a]N)	N[5a](B[5a]N[5a,5a]FF)(N[5a]C[5a,5a])(C[6a]C[6a]2)	B[5a](N[5a,5a]C[5a,5a]C[5a])(N[5a]C[6a]N[5a])(F)2{1|N<2>,4|C<3>}	N[5a,5a](C[5a,5a]C[5a]N[5a])(B[5a]N[5a]FF)(C[5a]C[5a]N){1|C<3>,2|H<1>}	N[5a](B[5a]N[5a,5a]FF)(N[5a]C[5a,5a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	94.2660	0.000	1	94.2660	0.000	1	94.7055	0.179	4	94.7055	0.179	4	94.5540	0.386	12	95.0973	3.076	71
679	813	813	5:SP3_SP2_SP2	B[5a]	N[5a,5a]	N[5a]	3:3:3:3:	3:4:3:	4:3:3:	N[5a,5a]-3:N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,5a]-3:B[5a]-4:C[5a]-3:	B[5a]-4:C[5a]-3:C[6a]-3:	B[5a](N[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2)2	N[5a,5a](C[5a,5a]C[5a,6a]C[5a])(B[5a]C[6a]2N[5a])(C[5a]C[5a,6a]H)	N[5a](B[5a]N[5a,5a]C[6a]2)(C[5a]C[5a,5a]H)(C[6a]C[6a]2)	B[5a](N[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2)2{6|H<1>,8|C<3>}	N[5a,5a](C[5a,5a]C[5a,6a]C[5a])(B[5a]C[6a]2N[5a])(C[5a]C[5a,6a]H){1|H<1>,7|C<3>}	N[5a](B[5a]N[5a,5a]C[6a]2)(C[5a]C[5a,5a]H)(C[6a]C[6a]2){2|H<1>,8|C<3>}	94.7175	0.000	1	94.7175	0.000	1	94.7175	0.000	1	94.8274	0.009	3	94.5540	0.386	12	95.0973	3.076	71
679	813	813	5:SP3_SP2_SP2	B[5a]	N[5a,5a]	N[5a]	3:3:3:3:	3:4:3:	4:3:3:	N[5a,5a]-3:N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:B[5a]-4:C[5a,5a]-3:	B[5a]-4:C[5a]-3:C[6a]-3:	B[5a](N[5a,5a]C[5a,5a]C[5a,6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2)2	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]2N[5a])(C[5a,5a]C[5a]2)	N[5a](B[5a]N[5a,5a]C[6a]2)(C[5a]C[5a,5a]H)(C[6a]C[6a]2)	B[5a](N[5a,5a]C[5a,5a]C[5a,6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2)2{5|H<1>,9|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]2N[5a])(C[5a,5a]C[5a]2){3|H<1>,7|C<3>}	N[5a](B[5a]N[5a,5a]C[6a]2)(C[5a]C[5a,5a]H)(C[6a]C[6a]2){2|C<4>,8|C<3>}	94.8626	0.000	1	94.8824	0.001	2	94.8824	0.001	2	94.8274	0.009	3	94.5540	0.386	12	95.0973	3.076	71
679	813	813	5:SP3_SP2_SP2	B[5a]	N[5a,5a]	N[5a]	3:3:3:3:	3:4:3:	4:3:3:	N[5a,5a]-3:N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:B[5a]-4:C[5a,5a]-3:	B[5a]-4:C[5a]-3:C[6a]-3:	B[5a](N[5a,5a]C[5a,5a]C[5a,6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2)2	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]2N[5a])(C[5a,5a]C[5a]2)	N[5a](B[5a]N[5a,5a]C[6a]2)(C[5a]C[5a,5a]H)(C[6a]C[6a]2)	B[5a](N[5a,5a]C[5a,5a]C[5a,6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2)2{5|H<1>,9|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]2N[5a])(C[5a,5a]C[5a]2){3|H<1>,7|C<3>}	N[5a](B[5a]N[5a,5a]C[6a]2)(C[5a]C[5a,5a]H)(C[6a]C[6a]2){2|H<1>,8|C<3>}	94.9022	0.000	1	94.8824	0.001	2	94.8824	0.001	2	94.8274	0.009	3	94.5540	0.386	12	95.0973	3.076	71
679	813	813	5:SP3_SP2_SP2	B[5a]	N[5a,5a]	N[5a]	3:3:3:3:	4:3:3:	4:3:3:	N[5a,5a]-3:N[5a]-3:C[6a]-3:C[6a]-3:	B[5a]-4:C[5a,5a]-3:C[5a]-3:	B[5a]-4:C[5a]-3:C[6a]-3:	B[5a](N[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2)2	N[5a,5a](B[5a]C[6a]2N[5a])(C[5a,5a]C[5a]2)(C[5a]C[5a]H)	N[5a](B[5a]N[5a,5a]C[6a]2)(C[5a]C[5a,5a]H)(C[6a]C[6a]2)	B[5a](N[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2)2{6|H<1>,8|C<3>}	N[5a,5a](B[5a]C[6a]2N[5a])(C[5a,5a]C[5a]2)(C[5a]C[5a]H){3|H<1>,5|C<3>}	N[5a](B[5a]N[5a,5a]C[6a]2)(C[5a]C[5a,5a]H)(C[6a]C[6a]2){2|H<1>,8|C<3>}	94.8920	0.082	3	94.8920	0.007	3	94.8920	0.007	3	94.2686	0.742	5	94.5540	0.386	12	95.0973	3.076	71
679	813	813	5:SP3_SP2_SP2	B[5a]	N[5a,5a]	N[5a]	3:3:3:3:	4:3:3:	4:3:3:	N[5a,5a]-3:N[5a]-3:C[6a]-3:C[6a]-3:	B[5a]-4:C[5a,5a]-3:C[5a]-3:	B[5a]-4:N[5a]-3:C[5a]-3:	B[5a](N[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]2)2	N[5a,5a](B[5a]C[6a]2N[5a])(C[5a,5a]C[5a]2)(C[5a]C[5a]C)	N[5a](B[5a]N[5a,5a]C[6a]2)(N[5a]B[5a]C[5a])(C[5a]C[5a,5a]H)	B[5a](N[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]2)2{1|B<4>,1|C<4>,5|H<1>,7|C<3>}	N[5a,5a](B[5a]C[6a]2N[5a])(C[5a,5a]C[5a]2)(C[5a]C[5a]C){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	N[5a](B[5a]N[5a,5a]C[6a]2)(N[5a]B[5a]C[5a])(C[5a]C[5a,5a]H){1|H<1>,1|N<3>,9|C<3>}	93.3336	0.202	2	93.3336	0.041	2	93.3336	0.041	2	94.2686	0.742	5	94.5540	0.386	12	95.0973	3.076	71
679	813	813	5:SP3_SP2_SP2	B[5a]	N[5a,6]	N[5a,5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a,5a]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:C[6,6a]-3:B[5a]-4:	C[5a,6a]-3:C[5a,5a]-3:B[5a]-4:	B[5a](N[5a,5a]C[5a,5a]C[5a,6a])(N[5a,6]C[5a,6]C[6,6a])(F)2	N[5a,6](C[5a,6]C[5a,5a]C[6])(C[6,6a]C[6,6a]C[6a])(B[5a]N[5a,5a]FF)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,5a]C[5a,6]N[5a])(B[5a]N[5a,6]FF)	B[5a](N[5a,5a]C[5a,5a]C[5a,6a])(N[5a,6]C[5a,6]C[6,6a])(F)2{1|N<2>,5|C<3>}	N[5a,6](C[5a,6]C[5a,5a]C[6])(C[6,6a]C[6,6a]C[6a])(B[5a]N[5a,5a]FF){1|N<2>,2|H<1>,4|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,5a]C[5a,6]N[5a])(B[5a]N[5a,6]FF){5|C<3>}	96.8546	0.000	1	96.8546	0.000	1	96.8546	0.000	1	96.8546	0.000	1	95.7037	2.460	4	95.0973	3.076	71
679	813	813	5:SP3_SP2_SP2	B[5a]	N[5a,6]	N[5a,5a]	3:3:1:1:	3:3:4:	3:4:3:	N[5a,5a]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:C[6,6a]-3:B[5a]-4:	C[5a,5a]-3:B[5a]-4:C[5a]-3:	B[5a](N[5a,5a]C[5a,5a]C[5a])(N[5a,6]C[5a,6]C[6,6a])(F)2	N[5a,6](C[5a,6]C[5a,5a]C[6])(C[6,6a]C[6,6a]C[6a])(B[5a]N[5a,5a]FF)	N[5a,5a](C[5a,5a]C[5a,6]C[5a])(B[5a]N[5a,6]FF)(C[5a]C[5a]C)	B[5a](N[5a,5a]C[5a,5a]C[5a])(N[5a,6]C[5a,6]C[6,6a])(F)2{1|C<4>,5|C<3>}	N[5a,6](C[5a,6]C[5a,5a]C[6])(C[6,6a]C[6,6a]C[6a])(B[5a]N[5a,5a]FF){1|H<1>,1|N<2>,5|C<3>}	N[5a,5a](C[5a,5a]C[5a,6]C[5a])(B[5a]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	96.6123	0.000	1	96.6123	0.000	1	96.6123	0.000	1	96.6123	0.000	1	95.7037	2.460	4	95.0973	3.076	71
679	813	813	5:SP3_SP2_SP2	B[5a]	N[5a,6]	N[5a,5a]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,5a]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[5a]-4:C[6]-3:	C[5a,5a]-3:B[5a]-4:C[5a]-3:	B[5a](N[5a,5a]C[5a,5a]C[5a])(N[5a,6]C[5a,6]C[6])(F)2	N[5a,6](C[5a,6]C[5a,5a]C[6])(B[5a]N[5a,5a]FF)(C[6]C[6]H)	N[5a,5a](C[5a,5a]C[5a,6]N[5a])(B[5a]N[5a,6]FF)(C[5a]C[5a]2)	B[5a](N[5a,5a]C[5a,5a]C[5a])(N[5a,6]C[5a,6]C[6])(F)2{1|H<1>,1|N<2>,4|C<3>}	N[5a,6](C[5a,6]C[5a,5a]C[6])(B[5a]N[5a,5a]FF)(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	N[5a,5a](C[5a,5a]C[5a,6]N[5a])(B[5a]N[5a,6]FF)(C[5a]C[5a]2){1|S<2>,4|C<3>}	95.9209	0.000	1	95.9209	0.000	1	95.9209	0.000	1	95.9209	0.000	1	95.7037	2.460	4	95.0973	3.076	71
679	813	813	5:SP3_SP2_SP2	B[5a]	N[5a,6]	N[5a,5a]	3:3:3:3:	4:3:3:	3:4:2:	N[5a,5a]-3:N[5a,6]-3:C[6a]-3:C[6a]-3:	B[5a]-4:C[5a,6]-3:C[6]-3:	C[5a,5a]-3:B[5a]-4:N[5a]-2:	B[5a](N[5a,5a]C[5a,5a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)2	N[5a,6](B[5a]N[5a,5a]C[6a]2)(C[5a,6]C[5a,5a]C[6])(C[6]C[6]H)	N[5a,5a](C[5a,5a]C[5a,6]N[5a])(B[5a]N[5a,6]C[6a]2)(N[5a]C[5a])	B[5a](N[5a,5a]C[5a,5a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)2{1|N<2>,5|H<1>,7|C<3>}	N[5a,6](B[5a]N[5a,5a]C[6a]2)(C[5a,6]C[5a,5a]C[6])(C[6]C[6]H){2|H<1>,2|N<2>,5|C<3>}	N[5a,5a](C[5a,5a]C[5a,6]N[5a])(B[5a]N[5a,6]C[6a]2)(N[5a]C[5a]){1|C<4>,6|C<3>}	93.4269	0.000	1	93.4269	0.000	1	93.4269	0.000	1	93.4269	0.000	1	95.7037	2.460	4	95.0973	3.076	71
679	813	813	5:SP3_SP2_SP2	B[5a]	N[5a,6]	N[5a,6a]	3:3:3:3:	4:3:3:	3:4:3:	N[5a,6a]-3:N[5a,6]-3:C[6a]-3:C[6a]-3:	B[5a]-4:C[5a,6]-3:C[6]-3:	C[5a,6a]-3:B[5a]-4:B[6a]-3:	B[5a](N[5a,6a]C[5a,6a]B[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)2	N[5a,6](B[5a]N[5a,6a]C[6a]2)(C[5a,6]C[5a,6a]C[6])(C[6]C[6]H)	N[5a,6a](C[5a,6a]C[5a,6]C[6a])(B[5a]N[5a,6]C[6a]2)(B[6a]C[6a]C)	B[5a](N[5a,6a]C[5a,6a]B[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)2{1|H<1>,5|C<4>,8|C<3>}	N[5a,6](B[5a]N[5a,6a]C[6a]2)(C[5a,6]C[5a,6a]C[6])(C[6]C[6]H){1|B<3>,2|H<1>,6|C<3>}	N[5a,6a](C[5a,6a]C[5a,6]C[6a])(B[5a]N[5a,6]C[6a]2)(B[6a]C[6a]C){2|H<1>,7|C<3>}	96.1841	0.000	1	96.1841	0.000	1	96.1841	0.000	1	96.1841	0.000	1	96.1841	0.000	1	95.0973	3.076	71
679	813	813	5:SP3_SP2_SP2	B[5a]	N[5a,6]	N[5a]	3:3:3:3:	3:4:3:	3:4:3:	N[5a,6]-3:N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6,6a]-3:B[5a]-4:C[6]-3:	C[5a,6a]-3:B[5a]-4:C-3:	B[5a](N[5a,6]C[5a,6,6a]C[6])(N[5a]C[5a,6a]C)(C[6a]C[6a]2)2	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[6a]2N[5a])(C[6]C[6]H)	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(B[5a]N[5a,6]C[6a]2)(CCO)	B[5a](N[5a,6]C[5a,6,6a]C[6])(N[5a]C[5a,6a]C)(C[6a]C[6a]2)2{5|H<1>,7|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[6a]2N[5a])(C[6]C[6]H){1|H<1>,8|C<3>}	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(B[5a]N[5a,6]C[6a]2)(CCO){1|H<1>,7|C<3>}	96.1555	0.391	6	96.1555	0.153	6	96.1555	0.153	6	96.1555	0.153	6	96.1555	0.153	6	95.0973	3.076	71
679	813	813	5:SP3_SP2_SP2	B[5a]	N[5a,6a]	N[5a,6]	3:3:4:3:	3:4:3:	3:4:3:	N[5a,6a]-3:N[5a,6]-3:C[5]-4:N-3:	C[5a,6a]-3:B[5a]-4:C[6a]-3:	C[5a,6]-3:B[5a]-4:C[6]-3:	B[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6])(C[5]C[5]2Fe)(NC[6a]H)	N[5a,6a](C[5a,6a]C[5a,6]C[6a])(B[5a]N[5a,6]C[5]N)(C[6a]C[6a]H)	N[5a,6](C[5a,6]C[5a,6a]C[6])(B[5a]N[5a,6a]C[5]N)(C[6]C[6]H)	B[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6])(C[5]C[5]2Fe)(NC[6a]H){2|C<4>,4|C<3>,4|H<1>}	N[5a,6a](C[5a,6a]C[5a,6]C[6a])(B[5a]N[5a,6]C[5]N)(C[6a]C[6a]H){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a,6a]C[6])(B[5a]N[5a,6a]C[5]N)(C[6]C[6]H){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	93.6617	0.000	1	93.6617	0.000	1	93.6617	0.000	1	93.6617	0.000	1	93.6617	0.000	1	95.0973	3.076	71
679	813	813	5:SP3_SP2_SP2	B[5a]	N[5a,6a]	N[5a,6a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a,6a]-3:N[5a,6a]-3:Cl-1:Cl-1:	C[5a,6a]-3:C[6a,6a]-3:B[5a]-4:	C[5a,6a]-3:C[6a,6a]-3:B[5a]-4:	B[5a](N[5a,6a]C[5a,6a]C[6a,6a])2(Cl)2	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(B[5a]N[5a,6a]Cl2)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(B[5a]N[5a,6a]Cl2)	B[5a](N[5a,6a]C[5a,6a]C[6a,6a])2(Cl)2{6|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(B[5a]N[5a,6a]Cl2){2|H<1>,5|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(B[5a]N[5a,6a]Cl2){2|H<1>,5|C<3>}	99.3153	0.838	2	99.3153	0.703	2	99.3153	0.703	2	99.3153	0.703	2	95.3177	6.781	13	95.0973	3.076	71
679	813	813	5:SP3_SP2_SP2	B[5a]	N[5a,6a]	N[5a,6a]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6a]-3:N[5a,6a]-3:Cl-1:Cl-1:	C[5a,6a]-3:B[5a]-4:C[6a]-3:	C[5a,6a]-3:B[5a]-4:C[6a]-3:	B[5a](N[5a,6a]C[5a,6a]C[6a])2(Cl)2	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]Cl2)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]Cl2)(C[6a]C[6a]H)	B[5a](N[5a,6a]C[5a,6a]C[6a])2(Cl)2{2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]Cl2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]Cl2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	98.1854	1.043	2	98.1854	1.088	2	98.1854	1.088	2	98.1854	1.088	2	95.3177	6.781	13	95.0973	3.076	71
679	813	813	5:SP3_SP2_SP2	B[5a]	N[5a,6a]	N[5a,6a]	3:3:4:2:	3:4:3:	3:4:3:	N[5a,6a]-3:N[5a,6a]-3:C[5]-4:O-2:	C[5a,6a]-3:B[5a]-4:C[6a]-3:	C[5a,6a]-3:B[5a]-4:C[6a]-3:	B[5a](N[5a,6a]C[5a,6a]C[6a])2(C[5]C[5]2Fe)(OB[5a])	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]C[5]O)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]C[5]O)(C[6a]C[6a]H)	B[5a](N[5a,6a]C[5a,6a]C[6a])2(C[5]C[5]2Fe)(OB[5a]){2|C<4>,4|C<3>,4|H<1>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]C[5]O)(C[6a]C[6a]H){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]C[5]O)(C[6a]C[6a]H){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	94.1949	0.289	2	94.1949	0.084	2	94.1949	0.084	2	94.1949	0.084	2	95.3177	6.781	13	95.0973	3.076	71
679	813	813	5:SP3_SP2_SP2	B[5a]	N[5a,6a]	N[5a,6a]	3:3:4:3:	3:4:3:	3:4:3:	N[5a,6a]-3:N[5a,6a]-3:C[5]-4:C-3:	C[5a,6a]-3:B[5a]-4:C[6a]-3:	C[5a,6a]-3:B[5a]-4:C[6a]-3:	B[5a](N[5a,6a]C[5a,6a]C[6a])2(C[5]C[5]2Fe)(CCH)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]C[5]C)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]C[5]C)(C[6a]C[6a]H)	B[5a](N[5a,6a]C[5a,6a]C[6a])2(C[5]C[5]2Fe)(CCH){2|C<4>,4|C<3>,4|H<1>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]C[5]C)(C[6a]C[6a]H){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]C[5]C)(C[6a]C[6a]H){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	94.8376	0.000	1	94.8376	0.000	1	94.8376	0.000	1	93.2942	0.714	6	95.3177	6.781	13	95.0973	3.076	71
679	813	813	5:SP3_SP2_SP2	B[5a]	N[5a,6a]	N[5a,6a]	3:3:4:3:	3:4:3:	3:4:3:	N[5a,6a]-3:N[5a,6a]-3:C[5]-4:N-3:	C[5a,6a]-3:B[5a]-4:C[6a]-3:	C[5a,6a]-3:B[5a]-4:C[6a]-3:	B[5a](N[5a,6a]C[5a,6a]C[6a])2(C[5]C[5]2Fe)(NB[5a]Si)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]C[5]N)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]C[5]N)(C[6a]C[6a]H)	B[5a](N[5a,6a]C[5a,6a]C[6a])2(C[5]C[5]2Fe)(NB[5a]Si){2|C<4>,4|C<3>,4|H<1>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]C[5]N)(C[6a]C[6a]H){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]C[5]N)(C[6a]C[6a]H){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	92.8765	0.492	2	92.8765	0.242	2	92.9856	0.178	5	93.2942	0.714	6	95.3177	6.781	13	95.0973	3.076	71
679	813	813	5:SP3_SP2_SP2	B[5a]	N[5a,6a]	N[5a,6a]	3:3:4:3:	3:4:3:	3:4:3:	N[5a,6a]-3:N[5a,6a]-3:C[5]-4:N-3:	C[5a,6a]-3:B[5a]-4:C[6a]-3:	C[5a,6a]-3:B[5a]-4:C[6a]-3:	B[5a](N[5a,6a]C[5a,6a]C[6a])2(C[5]C[5]2Fe)(NCH)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]C[5]N)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]C[5]N)(C[6a]C[6a]H)	B[5a](N[5a,6a]C[5a,6a]C[6a])2(C[5]C[5]2Fe)(NCH){2|C<4>,4|C<3>,4|H<1>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]C[5]N)(C[6a]C[6a]H){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]C[5]N)(C[6a]C[6a]H){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	92.5896	0.000	1	92.5896	0.000	1	92.9856	0.178	5	93.2942	0.714	6	95.3177	6.781	13	95.0973	3.076	71
679	813	813	5:SP3_SP2_SP2	B[5a]	N[5a,6a]	N[5a,6a]	3:3:4:3:	3:4:3:	3:4:3:	N[5a,6a]-3:N[5a,6a]-3:C[5]-4:N-3:	C[5a,6a]-3:B[5a]-4:C[6a]-3:	C[5a,6a]-3:B[5a]-4:C[6a]-3:	B[5a](N[5a,6a]C[5a,6a]C[6a])2(C[5]C[5]2Fe)(NC[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]C[5]N)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]C[5]N)(C[6a]C[6a]H)	B[5a](N[5a,6a]C[5a,6a]C[6a])2(C[5]C[5]2Fe)(NC[6a]H){2|C<4>,4|C<3>,4|H<1>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]C[5]N)(C[6a]C[6a]H){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]C[5]N)(C[6a]C[6a]H){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	93.2926	0.318	2	93.2926	0.101	2	92.9856	0.178	5	93.2942	0.714	6	95.3177	6.781	13	95.0973	3.076	71
679	813	813	5:SP3_SP2_SP2	B[5a]	N[5a,6a]	N[5a,6a]	3:3:4:4:	3:4:3:	3:4:3:	N[5a,6a]-3:N[5a,6a]-3:C[5]-4:C-4:	C[5a,6a]-3:B[5a]-4:C[6a]-3:	C[5a,6a]-3:B[5a]-4:C[6a]-3:	B[5a](N[5a,6a]C[5a,6a]C[6a])2(C[5]C[5]2Fe)(CCHH)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]C[5]C)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]C[5]C)(C[6a]C[6a]H)	B[5a](N[5a,6a]C[5a,6a]C[6a])2(C[5]C[5]2Fe)(CCHH){2|C<4>,4|C<3>,4|H<1>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]C[5]C)(C[6a]C[6a]H){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]C[5]C)(C[6a]C[6a]H){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	95.9734	0.000	1	95.9734	0.000	1	95.9734	0.000	1	95.9734	0.000	1	95.3177	6.781	13	95.0973	3.076	71
679	813	813	5:SP3_SP2_SP2	B[5a]	N[5a,6a]	N[5a]	3:3:1:1:	3:3:4:	4:3:2:	N[5a,6a]-3:N[5a]-3:F-1:F-1:	C[5a,6a]-3:C[6a,6a]-3:B[5a]-4:	B[5a]-4:C[5a]-3:N-2:	B[5a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a]N)(F)2	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(B[5a]N[5a]FF)	N[5a](B[5a]N[5a,6a]FF)(C[5a]C[5a,6a]C)(NC[6a])	B[5a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a]N)(F)2{1|C<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(B[5a]N[5a]FF){1|C<2>,1|H<1>,1|N<2>,4|C<3>}	N[5a](B[5a]N[5a,6a]FF)(C[5a]C[5a,6a]C)(NC[6a]){2|C<3>}	96.5370	0.000	1	96.5370	0.000	1	96.5370	0.000	1	97.6020	0.877	3	96.0593	2.689	9	95.0973	3.076	71
679	813	813	5:SP3_SP2_SP2	B[5a]	N[5a,6a]	N[5a]	3:3:1:1:	3:3:4:	4:3:2:	N[5a,6a]-3:N[5a]-3:F-1:F-1:	C[6a,6a]-3:C[5a,6a]-3:B[5a]-4:	B[5a]-4:C[5a]-3:N-2:	B[5a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a]N)(F)2	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(B[5a]N[5a]FF)	N[5a](B[5a]N[5a,6a]FF)(C[5a]C[5a,6a]C)(NC[6a])	B[5a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a]N)(F)2{1|C<2>,3|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(B[5a]N[5a]FF){1|C<2>,1|N<2>,2|H<1>,3|C<3>}	N[5a](B[5a]N[5a,6a]FF)(C[5a]C[5a,6a]C)(NC[6a]){2|C<3>}	98.1345	0.229	2	98.1345	0.053	2	98.1345	0.053	2	97.6020	0.877	3	96.0593	2.689	9	95.0973	3.076	71
679	813	813	5:SP3_SP2_SP2	B[5a]	N[5a,6a]	N[5a]	3:3:1:1:	3:4:3:	3:4:4:	N[5a,6a]-3:N[5a]-3:F-1:F-1:	C[5a,6a]-3:B[5a]-4:C[6a]-3:	C[5a]-3:B[5a]-4:B-4:	B[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]B)(F)2	N[5a,6a](C[5a,6a]C[5a]C[6a])(B[5a]N[5a]FF)(C[6a]C[6a]H)	N[5a](C[5a]C[5a,6a]C[6a])(B[5a]N[5a,6a]FF)(BF3)	B[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]B)(F)2{1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(B[5a]N[5a]FF)(C[6a]C[6a]H){1|B<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a,6a]C[6a])(B[5a]N[5a,6a]FF)(BF3){4|C<3>}	97.9841	0.000	1	97.9841	0.000	1	97.9841	0.000	1	97.9841	0.000	1	96.0593	2.689	9	95.0973	3.076	71
679	813	813	5:SP3_SP2_SP2	B[5a]	N[5a,6a]	N[5a]	3:3:3:3:	3:4:3:	4:3:1:	N[5a,6a]-3:C[6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:B[5a]-4:C[6a]-3:	B[5a]-4:C[5a]-3:H-1:	B[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)2(N[5a]C[5a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(B[5a]C[6a]2N[5a])(C[6a]C[6a]H)	N[5a](B[5a]N[5a,6a]C[6a]2)(C[5a]C[5a,6a]C[6a])(H)	B[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)2(N[5a]C[5a]H){5|H<1>,7|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(B[5a]C[6a]2N[5a])(C[6a]C[6a]H){3|H<1>,6|C<3>}	N[5a](B[5a]N[5a,6a]C[6a]2)(C[5a]C[5a,6a]C[6a])(H){8|C<3>}	94.6547	0.359	3	94.6547	0.129	3	94.6547	0.129	3	94.6547	0.129	3	96.0593	2.689	9	95.0973	3.076	71
679	813	813	5:SP3_SP2_SP2	B[5a]	N[5a,6a]	N[5a]	3:3:4:4:	3:4:3:	3:4:1:	N[5a,6a]-3:N[5a]-3:C-4:C-4:	C[5a,6a]-3:B[5a]-4:C[6a]-3:	C[5a]-3:B[5a]-4:H-1:	B[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(CCHH)2	N[5a,6a](C[5a,6a]C[5a]C[6a])(B[5a]N[5a]CC)(C[6a]C[6a]H)	N[5a](C[5a]C[5a,6a]C[6a])(B[5a]N[5a,6a]CC)(H)	B[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(CCHH)2{1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(B[5a]N[5a]CC)(C[6a]C[6a]H){2|C<3>,3|H<1>}	N[5a](C[5a]C[5a,6a]C[6a])(B[5a]N[5a,6a]CC)(H){1|N<2>,3|C<3>}	94.8897	0.013	2	94.8897	0.000	2	94.8897	0.000	2	94.8897	0.000	2	96.0593	2.689	9	95.0973	3.076	71
679	813	813	5:SP3_SP2_SP2	B[5a]	N[5a]	N[5a,5a]	3:3:3:3:	4:3:3:	4:3:3:	N[5a,5a]-3:N[5a]-3:C[6a]-3:C[6a]-3:	B[5a]-4:C[5a]-3:C[6a]-3:	B[5a]-4:C[5a,5a]-3:C[5a]-3:	B[5a](N[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2)2	N[5a](B[5a]N[5a,5a]C[6a]2)(C[5a]C[5a,5a]H)(C[6a]C[6a]2)	N[5a,5a](B[5a]C[6a]2N[5a])(C[5a,5a]C[5a]2)(C[5a]C[5a]H)	B[5a](N[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2)2{6|H<1>,8|C<3>}	N[5a](B[5a]N[5a,5a]C[6a]2)(C[5a]C[5a,5a]H)(C[6a]C[6a]2){1|Br<1>,1|H<1>,8|C<3>}	N[5a,5a](B[5a]C[6a]2N[5a])(C[5a,5a]C[5a]2)(C[5a]C[5a]H){3|H<1>,5|C<3>}	94.7893	0.143	4	94.7893	0.021	4	94.7893	0.021	4	94.7893	0.021	4	94.7893	0.021	4	95.0973	3.076	71
679	813	813	5:SP3_SP2_SP2	B[5a]	N[5a]	N[5a]	3:3:1:1:	3:4:3:	3:4:3:	N[5a]-3:N[5a]-3:Br-1:Br-1:	C[5,5a]-3:B[5a]-4:C[6a]-3:	C[5,5a]-3:B[5a]-4:C[6a]-3:	B[5a](N[5a]C[5,5a]C[6a])2(Br)2	N[5a](C[5,5a]C[5,5a]C[5,6a])(B[5a]N[5a]Br2)(C[6a]C[6a]2)	N[5a](C[5,5a]C[5,5a]C[5,6a])(B[5a]N[5a]Br2)(C[6a]C[6a]2)	B[5a](N[5a]C[5,5a]C[6a])2(Br)2{6|C<3>}	N[5a](C[5,5a]C[5,5a]C[5,6a])(B[5a]N[5a]Br2)(C[6a]C[6a]2){2|C<4>,6|C<3>}	N[5a](C[5,5a]C[5,5a]C[5,6a])(B[5a]N[5a]Br2)(C[6a]C[6a]2){2|C<4>,6|C<3>}	97.9057	0.000	1	97.9057	0.000	1	97.9057	0.000	1	97.9057	0.000	1	97.9322	3.619	3	95.0973	3.076	71
679	813	813	5:SP3_SP2_SP2	B[5a]	N[5a]	N[5a]	3:3:1:1:	4:3:3:	4:3:3:	N[5a]-3:N[5a]-3:Cl-1:Cl-1:	B[5a]-4:C[5a]-3:C[6a]-3:	B[5a]-4:C[5a]-3:C[6a]-3:	B[5a](N[5a]C[5a]C[6a])2(Cl)2	N[5a](B[5a]N[5a]Cl2)(C[5a]C[5a]H)(C[6a]C[6a]2)	N[5a](B[5a]N[5a]Cl2)(C[5a]C[5a]H)(C[6a]C[6a]2)	B[5a](N[5a]C[5a]C[6a])2(Cl)2{2|H<1>,4|C<3>}	N[5a](B[5a]N[5a]Cl2)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	N[5a](B[5a]N[5a]Cl2)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	96.0432	0.000	1	96.0432	0.000	1	96.0432	0.000	1	96.0432	0.000	1	97.9322	3.619	3	95.0973	3.076	71
679	813	813	5:SP3_SP2_SP2	B[5a]	N[5a]	N[5a]	3:3:3:1:	3:4:3:	3:4:3:	N[5a]-3:N[5a]-3:C[6a]-3:Br-1:	C[5a,5a]-3:B[5a]-4:C[6a]-3:	C[5a,5a]-3:B[5a]-4:C[6a]-3:	B[5a](N[5a]C[5a,5a]C[6a])2(C[6a]C[6a]2)(Br)	N[5a](C[5a,5a]C[5a,5a]N[5a])(B[5a]C[6a]N[5a]Br)(C[6a]C[6a]2)	N[5a](C[5a,5a]C[5a,5a]N[5a])(B[5a]C[6a]N[5a]Br)(C[6a]C[6a]2)	B[5a](N[5a]C[5a,5a]C[6a])2(C[6a]C[6a]2)(Br){2|H<1>,2|N<3>,6|C<3>}	N[5a](C[5a,5a]C[5a,5a]N[5a])(B[5a]C[6a]N[5a]Br)(C[6a]C[6a]2){1|B<4>,1|N<3>,2|C<4>,6|C<3>}	N[5a](C[5a,5a]C[5a,5a]N[5a])(B[5a]C[6a]N[5a]Br)(C[6a]C[6a]2){1|B<4>,1|N<3>,2|C<4>,6|C<3>}	99.8477	0.000	1	99.8477	0.000	1	99.8477	0.000	1	99.8477	0.000	1	97.9322	3.619	3	95.0973	3.076	71
679	813	813	6:SP3_SP2_SP2	B[5a,6]	N[5a,6]	N[5a,6]	3:3:2:2:	4:3:3:	4:3:3:	N[5a,6]-3:N[5a,6]-3:O[5a]-2:O[5a]-2:	B[5a,6]-4:C[5a,6]-3:C[5a]-3:	B[5a,6]-4:C[5a,6]-3:C[5a]-3:	B[5a,6](N[5a,6]C[5a,6]C[5a])2(O[5a]C[5a,6a])2	N[5a,6](B[5a,6]N[5a,6]O[5a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	N[5a,6](B[5a,6]N[5a,6]O[5a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	B[5a,6](N[5a,6]C[5a,6]C[5a])2(O[5a]C[5a,6a])2{2|C<4>,7|C<3>}	N[5a,6](B[5a,6]N[5a,6]O[5a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|C<4>,2|H<1>,4|C<3>}	N[5a,6](B[5a,6]N[5a,6]O[5a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|C<4>,2|H<1>,4|C<3>}	106.5167	0.189	3	106.5583	0.031	4	105.9158	0.416	12	105.9158	0.416	12	105.9158	0.416	12	105.9158	0.416	12
679	813	813	6:SP3_SP2_SP2	B[5a,6]	N[5a,6]	N[5a,6]	3:3:2:2:	4:3:3:	4:3:3:	N[5a,6]-3:N[5a,6]-3:O[5a]-2:O[5a]-2:	B[5a,6]-4:C[5a,6]-3:C[5a]-3:	B[5a,6]-4:C[5a,6]-3:C[5a]-3:	B[5a,6](N[5a,6]C[5a,6]C[5a])2(O[5a]C[5a,6a])2	N[5a,6](B[5a,6]N[5a,6]O[5a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	N[5a,6](B[5a,6]N[5a,6]O[5a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	B[5a,6](N[5a,6]C[5a,6]C[5a])2(O[5a]C[5a,6a])2{2|C<4>,7|C<3>}	N[5a,6](B[5a,6]N[5a,6]O[5a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){3|C<4>,4|C<3>}	N[5a,6](B[5a,6]N[5a,6]O[5a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){3|C<4>,4|C<3>}	106.6830	0.000	1	106.5583	0.031	4	105.9158	0.416	12	105.9158	0.416	12	105.9158	0.416	12	105.9158	0.416	12
679	813	813	6:SP3_SP2_SP2	B[5a,6]	N[5a,6]	N[5a,6]	3:3:2:2:	4:3:3:	4:3:3:	N[5a,6]-3:N[5a,6]-3:O[5a]-2:O[5a]-2:	B[5a,6]-4:C[5a,6]-3:C[5a]-3:	B[5a,6]-4:C[5a,6]-3:C[5a]-3:	B[5a,6](N[5a,6]C[5a,6]C[5a])2(O[5a]C[5a,6a])2	N[5a,6](B[5a,6]N[5a,6]O[5a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])	N[5a,6](B[5a,6]N[5a,6]O[5a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])	B[5a,6](N[5a,6]C[5a,6]C[5a])2(O[5a]C[5a,6a])2{9|C<3>}	N[5a,6](B[5a,6]N[5a,6]O[5a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a]){2|H<1>,7|C<3>}	N[5a,6](B[5a,6]N[5a,6]O[5a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a]){2|H<1>,7|C<3>}	105.8117	0.269	6	105.8117	0.073	6	105.9158	0.416	12	105.9158	0.416	12	105.9158	0.416	12	105.9158	0.416	12
679	813	813	6:SP3_SP2_SP2	B[5a,6]	N[5a,6]	N[5a,6]	3:3:2:2:	4:3:3:	4:3:3:	N[5a,6]-3:N[5a,6]-3:O[5a]-2:O[5a]-2:	B[5a,6]-4:C[5a,6]-3:C[5a]-3:	B[5a,6]-4:C[5a,6]-3:C[5a]-3:	B[5a,6](N[5a,6]C[5a,6]C[5a])2(O[5a]C[5a,6a])2	N[5a,6](B[5a,6]N[5a,6]O[5a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]H)	N[5a,6](B[5a,6]N[5a,6]O[5a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]H)	B[5a,6](N[5a,6]C[5a,6]C[5a])2(O[5a]C[5a,6a])2{2|H<1>,7|C<3>}	N[5a,6](B[5a,6]N[5a,6]O[5a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]H){2|H<1>,5|C<3>}	N[5a,6](B[5a,6]N[5a,6]O[5a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]H){2|H<1>,5|C<3>}	104.9435	0.718	2	104.9435	0.515	2	105.9158	0.416	12	105.9158	0.416	12	105.9158	0.416	12	105.9158	0.416	12
679	813	830	0:SP3_SP-NON_SP2	B[5a,6]	N[5a,6]	F	3:2:2:1:	3:4:3:	4:	N[5a,6]-3:O[5a]-2:O[6]-2:F-1:	C[5a,6a]-3:B[5a,6]-4:C[6]-3:	B[5a,6]-4:	B[5a,6](N[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(O[6]C[6,6a])(F)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]O[5a]O[6]F)(C[6]C[6,6a]H)	F(B[5a,6]N[5a,6]O[5a]O[6])	B[5a,6](N[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(O[6]C[6,6a])(F){1|H<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]O[5a]O[6]F)(C[6]C[6,6a]H){1|H<1>,4|C<3>}	F(B[5a,6]N[5a,6]O[5a]O[6])	109.1595	0.588	2	109.1595	0.345	2	109.1595	0.345	2	109.1595	0.345	2	109.7025	0.885	4	111.4307	3.479	92
679	813	830	0:SP3_SP-NON_SP2	B[5a,6]	N[5a,6]	F	3:2:3:1:	3:4:2:	4:	N[5a,6]-3:O[5a]-2:N[6]-3:F-1:	C[5a,6a]-3:B[5a,6]-4:N[6]-2:	B[5a,6]-4:	B[5a,6](N[5a,6]C[5a,6a]N[6])(O[5a]C[5a,6a])(N[6]C[5a,6]S)(F)	N[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(B[5a,6]O[5a]N[6]F)(N[6]C[5a,6])	F(B[5a,6]N[5a,6]O[5a]N[6])	B[5a,6](N[5a,6]C[5a,6a]N[6])(O[5a]C[5a,6a])(N[6]C[5a,6]S)(F){1|N<3>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(B[5a,6]O[5a]N[6]F)(N[6]C[5a,6]){1|S<4>,5|C<3>}	F(B[5a,6]N[5a,6]O[5a]N[6])	109.4940	0.000	1	109.4940	0.000	1	109.4940	0.000	1	109.4940	0.000	1	109.7025	0.885	4	111.4307	3.479	92
679	813	830	0:SP3_SP-NON_SP2	B[5a,6]	N[5a,6]	F	3:3:2:1:	3:4:3:	4:	N[5a,6]-3:N[6]-3:O[5a]-2:F-1:	C[5a,6a]-3:B[5a,6]-4:C[6]-3:	B[5a,6]-4:	B[5a,6](N[5a,6]C[5a,6a]C[6])(N[6]C[6a]C[6])(O[5a]C[5a,6a])(F)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]O[5a]N[6]F)(C[6]C[6]C)	F(B[5a,6]N[5a,6]O[5a]N[6])	B[5a,6](N[5a,6]C[5a,6a]C[6])(N[6]C[6a]C[6])(O[5a]C[5a,6a])(F){2|C<4>,5|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]O[5a]N[6]F)(C[6]C[6]C){2|H<1>,4|C<3>}	F(B[5a,6]N[5a,6]O[5a]N[6])	110.9970	0.000	1	110.9970	0.000	1	110.9970	0.000	1	110.9970	0.000	1	109.7025	0.885	4	111.4307	3.479	92
679	813	830	0:SP3_SP-NON_SP2	B[5a]	N[5,5a]	F	3:3:1:1:	3:4:3:	4:	C[5a,6a]-3:N[5,5a]-3:F-1:F-1:	N[5,5a]-3:B[5a]-4:C[5]-3:	B[5a]-4:	B[5a](C[5a,6a]C[5a,6a]C[6a])(N[5,5a]N[5,5a]C[5])(F)2	N[5,5a](N[5,5a]C[5a,6a]C[5])(B[5a]C[5a,6a]FF)(C[5]C[5]C)	F(B[5a]C[5a,6a]N[5,5a]F)	B[5a](C[5a,6a]C[5a,6a]C[6a])(N[5,5a]N[5,5a]C[5])(F)2{1|C<4>,1|N<2>,4|C<3>}	N[5,5a](N[5,5a]C[5a,6a]C[5])(B[5a]C[5a,6a]FF)(C[5]C[5]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	F(B[5a]C[5a,6a]N[5,5a]F)	108.1415	1.583	2	108.5490	2.096	4	108.5490	2.096	4	108.5490	2.096	4	108.5490	2.096	4	111.4307	3.479	92
679	813	830	0:SP3_SP-NON_SP2	B[5a]	N[5,5a]	F	3:3:1:1:	3:4:3:	4:	C[5a,6a]-3:N[5,5a]-3:F-1:F-1:	N[5,5a]-3:B[5a]-4:C[5]-3:	B[5a]-4:	B[5a](C[5a,6a]C[5a,6a]C[6a])(N[5,5a]N[5,5a]C[5])(F)2	N[5,5a](N[5,5a]C[5a,6a]C[5])(B[5a]C[5a,6a]FF)(C[5]C[5]C)	F(B[5a]C[5a,6a]N[5,5a]F)	B[5a](C[5a,6a]C[5a,6a]C[6a])(N[5,5a]N[5,5a]C[5])(F)2{1|N<2>,2|C<4>,3|C<3>}	N[5,5a](N[5,5a]C[5a,6a]C[5])(B[5a]C[5a,6a]FF)(C[5]C[5]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	F(B[5a]C[5a,6a]N[5,5a]F)	108.9565	1.766	2	108.5490	2.096	4	108.5490	2.096	4	108.5490	2.096	4	108.5490	2.096	4	111.4307	3.479	92
679	813	830	0:SP3_SP-NON_SP2	B[5a]	N[5a,5a]	F	3:3:1:1:	3:3:4:	4:	N[5a,5a]-3:N[5a,6]-3:F-1:F-1:	C[5a,6a]-3:C[5a,5a]-3:B[5a]-4:	B[5a]-4:	B[5a](N[5a,5a]C[5a,5a]C[5a,6a])(N[5a,6]C[5a,6]C[6,6a])(F)2	N[5a,5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,5a]C[5a,6]N[5a])(B[5a]N[5a,6]FF)	F(B[5a]N[5a,5a]N[5a,6]F)	B[5a](N[5a,5a]C[5a,5a]C[5a,6a])(N[5a,6]C[5a,6]C[6,6a])(F)2{1|N<2>,5|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,5a]C[5a,6]N[5a])(B[5a]N[5a,6]FF){5|C<3>}	F(B[5a]N[5a,5a]N[5a,6]F)	113.6670	0.079	2	113.6670	0.006	2	113.6670	0.006	2	113.6670	0.006	2	114.2806	0.454	14	111.4307	3.479	92
679	813	830	0:SP3_SP-NON_SP2	B[5a]	N[5a,5a]	F	3:3:1:1:	3:4:3:	4:	N[5a,5a]-3:N[5a,6]-3:F-1:F-1:	C[5a,5a]-3:B[5a]-4:C[5a]-3:	B[5a]-4:	B[5a](N[5a,5a]C[5a,5a]C[5a])(N[5a,6]C[5a,6]C[6,6a])(F)2	N[5a,5a](C[5a,5a]C[5a,6]C[5a])(B[5a]N[5a,6]FF)(C[5a]C[5a]C)	F(B[5a]N[5a,5a]N[5a,6]F)	B[5a](N[5a,5a]C[5a,5a]C[5a])(N[5a,6]C[5a,6]C[6,6a])(F)2{1|C<4>,5|C<3>}	N[5a,5a](C[5a,5a]C[5a,6]C[5a])(B[5a]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	F(B[5a]N[5a,5a]N[5a,6]F)	114.2075	0.257	2	114.2075	0.066	2	114.3397	0.528	4	114.3828	0.456	12	114.2806	0.454	14	111.4307	3.479	92
679	813	830	0:SP3_SP-NON_SP2	B[5a]	N[5a,5a]	F	3:3:1:1:	3:4:3:	4:	N[5a,5a]-3:N[5a,6]-3:F-1:F-1:	C[5a,5a]-3:B[5a]-4:C[5a]-3:	B[5a]-4:	B[5a](N[5a,5a]C[5a,5a]C[5a])(N[5a,6]C[5a,6]C[6])(F)2	N[5a,5a](C[5a,5a]C[5a,6]N[5a])(B[5a]N[5a,6]FF)(C[5a]C[5a]2)	F(B[5a]N[5a,5a]N[5a,6]F)	B[5a](N[5a,5a]C[5a,5a]C[5a])(N[5a,6]C[5a,6]C[6])(F)2{1|H<1>,1|N<2>,4|C<3>}	N[5a,5a](C[5a,5a]C[5a,6]N[5a])(B[5a]N[5a,6]FF)(C[5a]C[5a]2){1|S<2>,4|C<3>}	F(B[5a]N[5a,5a]N[5a,6]F)	114.4720	1.203	2	114.4720	1.448	2	114.3397	0.528	4	114.3828	0.456	12	114.2806	0.454	14	111.4307	3.479	92
679	813	830	0:SP3_SP-NON_SP2	B[5a]	N[5a,5a]	F	3:3:1:1:	3:4:3:	4:	N[5a,5a]-3:N[5a]-3:F-1:F-1:	C[5a,5a]-3:B[5a]-4:C[5a]-3:	B[5a]-4:	B[5a](N[5a,5a]C[5a,5a]C[5a])(N[5a]C[6a]N[5a])(F)2	N[5a,5a](C[5a,5a]C[5a]N[5a])(B[5a]N[5a]FF)(C[5a]C[5a]C)	F(B[5a]N[5a,5a]N[5a]F)	B[5a](N[5a,5a]C[5a,5a]C[5a])(N[5a]C[6a]N[5a])(F)2{1|C<4>,4|C<3>}	N[5a,5a](C[5a,5a]C[5a]N[5a])(B[5a]N[5a]FF)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>}	F(B[5a]N[5a,5a]N[5a]F)	114.0295	0.462	4	114.1397	0.213	6	114.4044	0.489	8	114.3828	0.456	12	114.2806	0.454	14	111.4307	3.479	92
679	813	830	0:SP3_SP-NON_SP2	B[5a]	N[5a,5a]	F	3:3:1:1:	3:4:3:	4:	N[5a,5a]-3:N[5a]-3:F-1:F-1:	C[5a,5a]-3:B[5a]-4:C[5a]-3:	B[5a]-4:	B[5a](N[5a,5a]C[5a,5a]C[5a])(N[5a]C[6a]N[5a])(F)2	N[5a,5a](C[5a,5a]C[5a]N[5a])(B[5a]N[5a]FF)(C[5a]C[5a]C)	F(B[5a]N[5a,5a]N[5a]F)	B[5a](N[5a,5a]C[5a,5a]C[5a])(N[5a]C[6a]N[5a])(F)2{1|C<4>,4|C<3>}	N[5a,5a](C[5a,5a]C[5a]N[5a])(B[5a]N[5a]FF)(C[5a]C[5a]C){1|C<3>,2|H<1>}	F(B[5a]N[5a,5a]N[5a]F)	114.3600	0.529	2	114.1397	0.213	6	114.4044	0.489	8	114.3828	0.456	12	114.2806	0.454	14	111.4307	3.479	92
679	813	830	0:SP3_SP-NON_SP2	B[5a]	N[5a,5a]	F	3:3:1:1:	3:4:3:	4:	N[5a,5a]-3:N[5a]-3:F-1:F-1:	C[5a,5a]-3:B[5a]-4:C[5a]-3:	B[5a]-4:	B[5a](N[5a,5a]C[5a,5a]C[5a])(N[5a]C[6a]N[5a])(F)2	N[5a,5a](C[5a,5a]C[5a]N[5a])(B[5a]N[5a]FF)(C[5a]C[5a]N)	F(B[5a]N[5a,5a]N[5a]F)	B[5a](N[5a,5a]C[5a,5a]C[5a])(N[5a]C[6a]N[5a])(F)2{1|N<2>,4|C<3>}	N[5a,5a](C[5a,5a]C[5a]N[5a])(B[5a]N[5a]FF)(C[5a]C[5a]N){1|C<3>,2|H<1>}	F(B[5a]N[5a,5a]N[5a]F)	115.1985	0.820	2	115.1985	0.672	2	114.4044	0.489	8	114.3828	0.456	12	114.2806	0.454	14	111.4307	3.479	92
679	813	830	0:SP3_SP-NON_SP2	B[5a]	N[5a,6]	F	3:3:1:1:	3:3:4:	4:	N[5a,5a]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:C[6,6a]-3:B[5a]-4:	B[5a]-4:	B[5a](N[5a,5a]C[5a,5a]C[5a,6a])(N[5a,6]C[5a,6]C[6,6a])(F)2	N[5a,6](C[5a,6]C[5a,5a]C[6])(C[6,6a]C[6,6a]C[6a])(B[5a]N[5a,5a]FF)	F(B[5a]N[5a,5a]N[5a,6]F)	B[5a](N[5a,5a]C[5a,5a]C[5a,6a])(N[5a,6]C[5a,6]C[6,6a])(F)2{1|N<2>,5|C<3>}	N[5a,6](C[5a,6]C[5a,5a]C[6])(C[6,6a]C[6,6a]C[6a])(B[5a]N[5a,5a]FF){1|N<2>,2|H<1>,4|C<3>}	F(B[5a]N[5a,5a]N[5a,6]F)	110.1500	0.665	2	110.1500	0.442	2	110.2982	0.507	4	110.2982	0.507	4	109.8849	0.922	10	111.4307	3.479	92
679	813	830	0:SP3_SP-NON_SP2	B[5a]	N[5a,6]	F	3:3:1:1:	3:3:4:	4:	N[5a,5a]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:C[6,6a]-3:B[5a]-4:	B[5a]-4:	B[5a](N[5a,5a]C[5a,5a]C[5a])(N[5a,6]C[5a,6]C[6,6a])(F)2	N[5a,6](C[5a,6]C[5a,5a]C[6])(C[6,6a]C[6,6a]C[6a])(B[5a]N[5a,5a]FF)	F(B[5a]N[5a,5a]N[5a,6]F)	B[5a](N[5a,5a]C[5a,5a]C[5a])(N[5a,6]C[5a,6]C[6,6a])(F)2{1|C<4>,5|C<3>}	N[5a,6](C[5a,6]C[5a,5a]C[6])(C[6,6a]C[6,6a]C[6a])(B[5a]N[5a,5a]FF){1|H<1>,1|N<2>,5|C<3>}	F(B[5a]N[5a,5a]N[5a,6]F)	110.4465	0.996	2	110.4465	0.993	2	110.2982	0.507	4	110.2982	0.507	4	109.8849	0.922	10	111.4307	3.479	92
679	813	830	0:SP3_SP-NON_SP2	B[5a]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	C[5a,6a]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[5a]-4:C[6]-3:	B[5a]-4:	B[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6])(F)2	N[5a,6](C[5a,6]N[5a,6a]C[6])(B[5a]C[5a,6a]FF)(C[6]C[6]H)	F(B[5a]C[5a,6a]N[5a,6]F)	B[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6])(F)2{2|H<1>,4|C<3>}	N[5a,6](C[5a,6]N[5a,6a]C[6])(B[5a]C[5a,6a]FF)(C[6]C[6]H){2|H<1>,3|C<3>}	F(B[5a]C[5a,6a]N[5a,6]F)	109.4130	0.615	4	109.4130	0.379	4	109.4130	0.379	4	109.6093	1.127	6	109.8849	0.922	10	111.4307	3.479	92
679	813	830	0:SP3_SP-NON_SP2	B[5a]	N[5a,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,5a]-3:N[5a,6]-3:F-1:F-1:	C[5a,6]-3:B[5a]-4:C[6]-3:	B[5a]-4:	B[5a](N[5a,5a]C[5a,5a]C[5a])(N[5a,6]C[5a,6]C[6])(F)2	N[5a,6](C[5a,6]C[5a,5a]C[6])(B[5a]N[5a,5a]FF)(C[6]C[6]H)	F(B[5a]N[5a,5a]N[5a,6]F)	B[5a](N[5a,5a]C[5a,5a]C[5a])(N[5a,6]C[5a,6]C[6])(F)2{1|H<1>,1|N<2>,4|C<3>}	N[5a,6](C[5a,6]C[5a,5a]C[6])(B[5a]N[5a,5a]FF)(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	F(B[5a]N[5a,5a]N[5a,6]F)	110.0020	2.010	2	110.0020	4.038	2	110.0020	4.038	2	109.6093	1.127	6	109.8849	0.922	10	111.4307	3.479	92
679	813	830	0:SP3_SP-NON_SP2	B[5a]	N[5a,6a]	F	3:3:1:1:	3:3:4:	4:	N[5a,6a]-3:N[5a]-3:F-1:F-1:	C[5a,6a]-3:C[6a,6a]-3:B[5a]-4:	B[5a]-4:	B[5a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a]N)(F)2	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(B[5a]N[5a]FF)	F(B[5a]N[5a,6a]N[5a]F)	B[5a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a]N)(F)2{1|C<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(B[5a]N[5a]FF){1|C<2>,1|H<1>,1|N<2>,4|C<3>}	F(B[5a]N[5a,6a]N[5a]F)	112.0435	2.321	2	112.0435	5.389	2	112.0435	5.389	2	112.0273	1.229	6	111.5803	2.172	8	111.4307	3.479	92
679	813	830	0:SP3_SP-NON_SP2	B[5a]	N[5a,6a]	F	3:3:1:1:	3:3:4:	4:	N[5a,6a]-3:N[5a]-3:F-1:F-1:	C[6a,6a]-3:C[5a,6a]-3:B[5a]-4:	B[5a]-4:	B[5a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a]N)(F)2	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(B[5a]N[5a]FF)	F(B[5a]N[5a,6a]N[5a]F)	B[5a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a]N)(F)2{1|C<2>,3|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(B[5a]N[5a]FF){1|C<2>,1|N<2>,2|H<1>,3|C<3>}	F(B[5a]N[5a,6a]N[5a]F)	112.0192	0.502	4	112.0192	0.252	4	112.0192	0.252	4	112.0273	1.229	6	111.5803	2.172	8	111.4307	3.479	92
679	813	830	0:SP3_SP-NON_SP2	B[5a]	N[5a,6a]	F	3:3:1:1:	3:4:3:	4:	N[5a,6a]-3:N[5a]-3:F-1:F-1:	C[5a,6a]-3:B[5a]-4:C[6a]-3:	B[5a]-4:	B[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]B)(F)2	N[5a,6a](C[5a,6a]C[5a]C[6a])(B[5a]N[5a]FF)(C[6a]C[6a]H)	F(B[5a]N[5a,6a]N[5a]F)	B[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]B)(F)2{1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(B[5a]N[5a]FF)(C[6a]C[6a]H){1|B<4>,2|C<3>,2|H<1>}	F(B[5a]N[5a,6a]N[5a]F)	110.2390	2.065	2	110.2390	4.263	2	110.2390	4.263	2	110.2390	4.263	2	111.5803	2.172	8	111.4307	3.479	92
679	813	830	0:SP3_SP-NON_SP2	B[5a]	N[5a]	F	3:2:1:1:	3:4:3:	4:	N[5a]-3:O[5a]-2:F-1:F-1:	C[6a]-3:B[5a]-4:C[5a]-3:	B[5a]-4:	B[5a](N[5a]C[5a]C[6a])(O[5a]C[5a])(F)2	N[5a](C[6a]C[6a,6a]C[6a])(B[5a]O[5a]FF)(C[5a]C[5a]C)	F(B[5a]N[5a]O[5a]F)	B[5a](N[5a]C[5a]C[6a])(O[5a]C[5a])(F)2{4|C<3>}	N[5a](C[6a]C[6a,6a]C[6a])(B[5a]O[5a]FF)(C[5a]C[5a]C){1|H<1>,1|N<2>,3|C<3>}	F(B[5a]N[5a]O[5a]F)	112.6415	0.145	2	112.6415	0.021	2	112.6415	0.021	2	112.6415	0.021	2	111.2922	1.850	52	111.4307	3.479	92
679	813	830	0:SP3_SP-NON_SP2	B[5a]	N[5a]	F	3:2:1:1:	4:2:3:	4:	N[5a]-3:O[5a]-2:F-1:F-1:	B[5a]-4:N[5a]-2:C-3:	B[5a]-4:	B[5a](N[5a]N[5a]C)(O[5a]C[5a])(F)2	N[5a](B[5a]O[5a]FF)(N[5a]C[5a])(CCH)	F(B[5a]N[5a]O[5a]F)	B[5a](N[5a]N[5a]C)(O[5a]C[5a])(F)2{1|C<3>}	N[5a](B[5a]O[5a]FF)(N[5a]C[5a])(CCH){1|C<3>}	F(B[5a]N[5a]O[5a]F)	111.4185	0.217	4	111.4185	0.047	4	111.3338	0.581	18	111.3338	0.581	18	111.2922	1.850	52	111.4307	3.479	92
679	813	830	0:SP3_SP-NON_SP2	B[5a]	N[5a]	F	3:2:1:1:	4:2:3:	4:	N[5a]-3:O[5a]-2:F-1:F-1:	B[5a]-4:N[5a]-2:C-3:	B[5a]-4:	B[5a](N[5a]N[5a]C)(O[5a]C[5a])(F)2	N[5a](B[5a]O[5a]FF)(N[5a]C[5a])(CC[5a]H)	F(B[5a]N[5a]O[5a]F)	B[5a](N[5a]N[5a]C)(O[5a]C[5a])(F)2{1|C<3>}	N[5a](B[5a]O[5a]FF)(N[5a]C[5a])(CC[5a]H){1|C<3>}	F(B[5a]N[5a]O[5a]F)	111.6762	1.084	6	111.6762	1.175	6	111.3338	0.581	18	111.3338	0.581	18	111.2922	1.850	52	111.4307	3.479	92
679	813	830	0:SP3_SP-NON_SP2	B[5a]	N[5a]	F	3:2:1:1:	4:2:3:	4:	N[5a]-3:O[5a]-2:F-1:F-1:	B[5a]-4:N[5a]-2:C-3:	B[5a]-4:	B[5a](N[5a]N[5a]C)(O[5a]C[5a])(F)2	N[5a](B[5a]O[5a]FF)(N[5a]C[5a])(CC[6a]H)	F(B[5a]N[5a]O[5a]F)	B[5a](N[5a]N[5a]C)(O[5a]C[5a])(F)2{1|C<3>}	N[5a](B[5a]O[5a]FF)(N[5a]C[5a])(CC[6a]H){1|C<3>}	F(B[5a]N[5a]O[5a]F)	111.0348	0.588	8	111.0348	0.346	8	111.3338	0.581	18	111.3338	0.581	18	111.2922	1.850	52	111.4307	3.479	92
679	813	830	0:SP3_SP-NON_SP2	B[5a]	N[5a]	F	3:2:1:1:	4:3:4:	4:	N[5a]-3:O[5a]-2:F-1:F-1:	B[5a]-4:C[5a]-3:C-4:	B[5a]-4:	B[5a](N[5a]C[5a]C)(O[5a]C[5a])(F)2	N[5a](B[5a]O[5a]FF)(C[5a]C[5a]C)(CCCH)	F(B[5a]N[5a]O[5a]F)	B[5a](N[5a]C[5a]C)(O[5a]C[5a])(F)2{2|C<3>}	N[5a](B[5a]O[5a]FF)(C[5a]C[5a]C)(CCCH){1|C<3>}	F(B[5a]N[5a]O[5a]F)	112.4035	0.985	6	112.4035	0.970	6	111.8856	1.469	15	111.8856	1.469	15	111.2922	1.850	52	111.4307	3.479	92
679	813	830	0:SP3_SP-NON_SP2	B[5a]	N[5a]	F	3:2:1:1:	4:3:4:	4:	N[5a]-3:O[5a]-2:F-1:F-1:	B[5a]-4:C[5a]-3:C-4:	B[5a]-4:	B[5a](N[5a]C[5a]C)(O[5a]C[5a])(F)2	N[5a](B[5a]O[5a]FF)(C[5a]C[5a]C)(CCHH)	F(B[5a]N[5a]O[5a]F)	B[5a](N[5a]C[5a]C)(O[5a]C[5a])(F)2{2|C<3>}	N[5a](B[5a]O[5a]FF)(C[5a]C[5a]C)(CCHH){1|C<3>}	F(B[5a]N[5a]O[5a]F)	112.2587	0.715	4	112.2587	0.511	4	111.8856	1.469	15	111.8856	1.469	15	111.2922	1.850	52	111.4307	3.479	92
679	813	830	0:SP3_SP-NON_SP2	B[5a]	N[5a]	F	3:2:1:1:	4:3:4:	4:	N[5a]-3:O[5a]-2:F-1:F-1:	B[5a]-4:C[5a]-3:C-4:	B[5a]-4:	B[5a](N[5a]C[5a]C)(O[5a]C[5a])(F)2	N[5a](B[5a]O[5a]FF)(C[5a]C[5a]C)(CC[6a]HH)	F(B[5a]N[5a]O[5a]F)	B[5a](N[5a]C[5a]C)(O[5a]C[5a])(F)2{2|C<3>}	N[5a](B[5a]O[5a]FF)(C[5a]C[5a]C)(CC[6a]HH){1|C<3>}	F(B[5a]N[5a]O[5a]F)	112.3665	0.343	2	112.3665	0.118	2	111.8856	1.469	15	111.8856	1.469	15	111.2922	1.850	52	111.4307	3.479	92
679	813	830	0:SP3_SP-NON_SP2	B[5a]	N[5a]	F	3:2:1:1:	4:3:4:	4:	N[5a]-3:O[5a]-2:F-1:F-1:	B[5a]-4:C[5a]-3:C-4:	B[5a]-4:	B[5a](N[5a]C[5a]C)(O[5a]C[5a])(F)2	N[5a](B[5a]O[5a]FF)(C[5a]C[5a]H)(CCHH)	F(B[5a]N[5a]O[5a]F)	B[5a](N[5a]C[5a]C)(O[5a]C[5a])(F)2{1|C<3>,1|H<1>}	N[5a](B[5a]O[5a]FF)(C[5a]C[5a]H)(CCHH){1|C<3>}	F(B[5a]N[5a]O[5a]F)	110.0317	0.750	3	110.0317	0.562	3	111.8856	1.469	15	111.8856	1.469	15	111.2922	1.850	52	111.4307	3.479	92
679	813	830	0:SP3_SP-NON_SP2	B[5a]	N[5a]	F	3:3:1:1:	3:4:4:	4:	N[5a,6a]-3:N[5a]-3:F-1:F-1:	C[5a]-3:B[5a]-4:B-4:	B[5a]-4:	B[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]B)(F)2	N[5a](C[5a]C[5a,6a]C[6a])(B[5a]N[5a,6a]FF)(BF3)	F(B[5a]N[5a,6a]N[5a]F)	B[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]B)(F)2{1|H<1>,3|C<3>}	N[5a](C[5a]C[5a,6a]C[6a])(B[5a]N[5a,6a]FF)(BF3){4|C<3>}	F(B[5a]N[5a,6a]N[5a]F)	112.3865	0.107	2	112.3865	0.011	2	112.3865	0.011	2	112.3865	0.011	2	111.2922	1.850	52	111.4307	3.479	92
679	813	830	0:SP3_SP-NON_SP2	B[5a]	N[5a]	F	3:3:1:1:	4:2:3:	4:	N[5a,5a]-3:N[5a]-3:F-1:F-1:	B[5a]-4:N[5a]-2:C[6a]-3:	B[5a]-4:	B[5a](N[5a,5a]C[5a,5a]C[5a])(N[5a]C[6a]N[5a])(F)2	N[5a](B[5a]N[5a,5a]FF)(N[5a]C[5a,5a])(C[6a]C[6a]2)	F(B[5a]N[5a,5a]N[5a]F)	B[5a](N[5a,5a]C[5a,5a]C[5a])(N[5a]C[6a]N[5a])(F)2{1|C<4>,4|C<3>}	N[5a](B[5a]N[5a,5a]FF)(N[5a]C[5a,5a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	F(B[5a]N[5a,5a]N[5a]F)	110.8113	1.131	6	110.4240	1.430	8	110.4240	1.430	8	110.4240	1.430	8	111.2922	1.850	52	111.4307	3.479	92
679	813	830	0:SP3_SP-NON_SP2	B[5a]	N[5a]	F	3:3:1:1:	4:2:3:	4:	N[5a,5a]-3:N[5a]-3:F-1:F-1:	B[5a]-4:N[5a]-2:C[6a]-3:	B[5a]-4:	B[5a](N[5a,5a]C[5a,5a]C[5a])(N[5a]C[6a]N[5a])(F)2	N[5a](B[5a]N[5a,5a]FF)(N[5a]C[5a,5a])(C[6a]C[6a]2)	F(B[5a]N[5a,5a]N[5a]F)	B[5a](N[5a,5a]C[5a,5a]C[5a])(N[5a]C[6a]N[5a])(F)2{1|N<2>,4|C<3>}	N[5a](B[5a]N[5a,5a]FF)(N[5a]C[5a,5a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	F(B[5a]N[5a,5a]N[5a]F)	109.2620	0.133	2	110.4240	1.430	8	110.4240	1.430	8	110.4240	1.430	8	111.2922	1.850	52	111.4307	3.479	92
679	813	830	0:SP3_SP-NON_SP2	B[5a]	N[5a]	F	3:3:1:1:	4:3:2:	4:	N[5a,6a]-3:N[5a]-3:F-1:F-1:	B[5a]-4:C[5a]-3:N-2:	B[5a]-4:	B[5a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a]N)(F)2	N[5a](B[5a]N[5a,6a]FF)(C[5a]C[5a,6a]C)(NC[6a])	F(B[5a]N[5a,6a]N[5a]F)	B[5a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a]N)(F)2{1|C<2>,3|C<3>}	N[5a](B[5a]N[5a,6a]FF)(C[5a]C[5a,6a]C)(NC[6a]){2|C<3>}	F(B[5a]N[5a,6a]N[5a]F)	110.8107	1.611	6	110.8107	2.597	6	110.8107	2.597	6	110.8107	2.597	6	111.2922	1.850	52	111.4307	3.479	92
679	813	830	0:SP3_SP-NON_SP2	B[5a]	N[5a]	F	3:3:3:1:	4:3:3:	4:	C[5,5a]-3:N[5a]-3:C[6a]-3:F-1:	B[5a]-4:C[5a]-3:C[6a]-3:	B[5a]-4:	B[5a](C[5,5a]N[5,5a]N[5])(N[5a]C[5a]C[6a])(C[6a]C[6a]2)(F)	N[5a](B[5a]C[5,5a]C[6a]F)(C[5a]N[5,5a]C)(C[6a]C[6a]2)	F(B[5a]C[5,5a]C[6a]N[5a])	B[5a](C[5,5a]N[5,5a]N[5])(N[5a]C[5a]C[6a])(C[6a]C[6a]2)(F){4|C<3>,6|C<4>}	N[5a](B[5a]C[5,5a]C[6a]F)(C[5a]N[5,5a]C)(C[6a]C[6a]2){1|N<3>,3|C<4>,4|C<3>}	F(B[5a]C[5,5a]C[6a]N[5a])	106.5920	0.000	1	106.5920	0.000	1	106.5920	0.000	1	106.5920	0.000	1	111.2922	1.850	52	111.4307	3.479	92
679	813	856	6:SP3_SP2_SP2	B[5a,6]	N[5a,6]	N[6]	3:2:3:1:	3:4:2:	4:3:4:	N[5a,6]-3:O[5a]-2:N[6]-3:F-1:	C[5a,6a]-3:B[5a,6]-4:N[6]-2:	B[5a,6]-4:C[5a,6]-3:S-4:	B[5a,6](N[5a,6]C[5a,6a]N[6])(O[5a]C[5a,6a])(N[6]C[5a,6]S)(F)	N[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(B[5a,6]O[5a]N[6]F)(N[6]C[5a,6])	N[6](B[5a,6]N[5a,6]O[5a]F)(C[5a,6]C[5a,6]N[5a])(SC[6a]OO)	B[5a,6](N[5a,6]C[5a,6a]N[6])(O[5a]C[5a,6a])(N[6]C[5a,6]S)(F){1|N<3>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(B[5a,6]O[5a]N[6]F)(N[6]C[5a,6]){1|S<4>,5|C<3>}	N[6](B[5a,6]N[5a,6]O[5a]F)(C[5a,6]C[5a,6]N[5a])(SC[6a]OO){1|C<4>,1|N<2>,4|C<3>}	107.7860	0.000	1	107.7860	0.000	1	107.7860	0.000	1	107.7860	0.000	1	108.1412	1.323	4	108.1412	1.323	4
679	813	856	6:SP3_SP2_SP2	B[5a,6]	N[5a,6]	N[6]	3:3:2:1:	3:4:3:	4:3:3:	N[5a,6]-3:N[6]-3:O[5a]-2:F-1:	C[5a,6a]-3:B[5a,6]-4:C[6]-3:	B[5a,6]-4:C[6a]-3:C[6]-3:	B[5a,6](N[5a,6]C[5a,6a]C[6])(N[6]C[6a]C[6])(O[5a]C[5a,6a])(F)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]O[5a]N[6]F)(C[6]C[6]C)	N[6](B[5a,6]N[5a,6]O[5a]F)(C[6a]C[6a]2)(C[6]C[6]C)	B[5a,6](N[5a,6]C[5a,6a]C[6])(N[6]C[6a]C[6])(O[5a]C[5a,6a])(F){2|C<4>,5|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]O[5a]N[6]F)(C[6]C[6]C){2|H<1>,4|C<3>}	N[6](B[5a,6]N[5a,6]O[5a]F)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,5|C<3>}	109.8410	0.000	1	109.8410	0.000	1	109.8410	0.000	1	109.8410	0.000	1	108.1412	1.323	4	108.1412	1.323	4
679	813	856	6:SP3_SP2_SP2	B[5a,6]	N[5a,6]	N[6]	3:3:2:2:	3:4:3:	4:3:3:	N[5a,6]-3:N[6]-3:O[5a]-2:O-2:	C[5a,6a]-3:B[5a,6]-4:C[6]-3:	B[5a,6]-4:C[6a]-3:C[6]-3:	B[5a,6](N[5a,6]C[5a,6a]C[6])(N[6]C[6a]C[6])(O[5a]C[5a,6a])(OB[5a,6])	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]O[5a]N[6]O)(C[6]C[6]C)	N[6](B[5a,6]N[5a,6]O[5a]O)(C[6a]C[6a]2)(C[6]C[6]C)	B[5a,6](N[5a,6]C[5a,6a]C[6])(N[6]C[6a]C[6])(O[5a]C[5a,6a])(OB[5a,6]){2|C<4>,5|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]O[5a]N[6]O)(C[6]C[6]C){2|H<1>,4|C<3>}	N[6](B[5a,6]N[5a,6]O[5a]O)(C[6a]C[6a]2)(C[6]C[6]C){1|O<2>,2|H<1>,5|C<3>}	107.4690	0.226	2	107.4690	0.051	2	107.4690	0.051	2	107.4690	0.051	2	108.1412	1.323	4	108.1412	1.323	4
679	813	893	0:SP3_SP2_SP3	B[5,6a]	N[5,6a]	O	3:3:3:2:	4:3:2:	4:1:	C[6a,6a]-3:N[5,6]-3:N[5,6a]-3:O-2:	B[5,6a]-4:C[5]-3:N[6a]-2:	B[5,6a]-4:H-1:	B[5,6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6]C[5,6]C[6])(N[5,6a]N[6a]C[5])(OH)	N[5,6a](B[5,6a]C[6a,6a]N[5,6]O)(C[5]C[5,6]O)(N[6a]C[6a])	O(B[5,6a]C[6a,6a]N[5,6a]N[5,6])(H)	B[5,6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6]C[5,6]C[6])(N[5,6a]N[6a]C[5])(OH){1|O<1>,2|H<1>,5|C<3>}	N[5,6a](B[5,6a]C[6a,6a]N[5,6]O)(C[5]C[5,6]O)(N[6a]C[6a]){1|H<1>,4|C<3>}	O(B[5,6a]C[6a,6a]N[5,6a]N[5,6])(H)	111.7500	0.000	1	111.7500	0.000	1	111.7500	0.000	1	111.7500	0.000	1	111.1888	1.023	5	111.7055	3.082	13
679	813	893	0:SP3_SP2_SP3	B[5,6a]	N[5,6a]	O	3:3:4:2:	4:2:3:	4:1:	C[6a,6a]-3:N[5,6a]-3:N[5]-4:O-2:	B[5,6a]-4:N[6a]-2:C[5]-3:	B[5,6a]-4:H-1:	B[5,6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[6a]C[5])(N[5]C[5]CC)(OH)	N[5,6a](B[5,6a]C[6a,6a]N[5]O)(N[6a]C[6a])(C[5]C[5]O)	O(B[5,6a]C[6a,6a]N[5,6a]N[5])(H)	B[5,6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[6a]C[5])(N[5]C[5]CC)(OH){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[5,6a](B[5,6a]C[6a,6a]N[5]O)(N[6a]C[6a])(C[5]C[5]O){2|C<3>,2|H<1>,3|C<4>}	O(B[5,6a]C[6a,6a]N[5,6a]N[5])(H)	112.6300	0.000	1	112.6300	0.000	1	111.0485	1.233	4	111.0485	1.233	4	111.1888	1.023	5	111.7055	3.082	13
679	813	893	0:SP3_SP2_SP3	B[5,6a]	N[5,6a]	O	3:3:4:2:	4:2:3:	4:1:	C[6a,6a]-3:N[5,6a]-3:N[5]-4:O-2:	B[5,6a]-4:N[6a]-2:C[5]-3:	B[5,6a]-4:H-1:	B[5,6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[6a]C[5])(N[5]C[5]HH)(OH)	N[5,6a](B[5,6a]C[6a,6a]N[5]O)(N[6a]C[6a])(C[5]C[5]O)	O(B[5,6a]C[6a,6a]N[5,6a]N[5])(H)	B[5,6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[6a]C[5])(N[5]C[5]HH)(OH){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[5,6a](B[5,6a]C[6a,6a]N[5]O)(N[6a]C[6a])(C[5]C[5]O){1|C<4>,2|C<3>,4|H<1>}	O(B[5,6a]C[6a,6a]N[5,6a]N[5])(H)	110.3680	0.000	1	110.5213	0.182	3	111.0485	1.233	4	111.0485	1.233	4	111.1888	1.023	5	111.7055	3.082	13
679	813	893	0:SP3_SP2_SP3	B[5,6a]	N[5,6a]	O	3:3:4:2:	4:2:3:	4:1:	C[6a,6a]-3:N[5,6a]-3:N[5]-4:O-2:	B[5,6a]-4:N[6a]-2:C[5]-3:	B[5,6a]-4:H-1:	B[5,6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[6a]C[5])(N[5]C[5]HH)(OH)	N[5,6a](B[5,6a]C[6a,6a]N[5]O)(N[6a]C[6a])(C[5]C[5]O)	O(B[5,6a]C[6a,6a]N[5,6a]N[5])(H)	B[5,6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[6a]C[5])(N[5]C[5]HH)(OH){1|O<1>,3|C<3>,3|H<1>}	N[5,6a](B[5,6a]C[6a,6a]N[5]O)(N[6a]C[6a])(C[5]C[5]O){1|C<4>,2|C<3>,4|H<1>}	O(B[5,6a]C[6a,6a]N[5,6a]N[5])(H)	110.1930	0.000	1	110.5213	0.182	3	111.0485	1.233	4	111.0485	1.233	4	111.1888	1.023	5	111.7055	3.082	13
679	813	893	0:SP3_SP2_SP3	B[5,6a]	N[5,6a]	O	3:3:4:2:	4:2:3:	4:1:	C[6a,6a]-3:N[5,6a]-3:N[5]-4:O-2:	B[5,6a]-4:N[6a]-2:C[5]-3:	B[5,6a]-4:H-1:	B[5,6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[6a]C[5])(N[5]C[5]HH)(OH)	N[5,6a](B[5,6a]C[6a,6a]N[5]O)(N[6a]C[6a])(C[5]C[5]O)	O(B[5,6a]C[6a,6a]N[5,6a]N[5])(H)	B[5,6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[6a]C[5])(N[5]C[5]HH)(OH){1|O<1>,3|C<3>,3|H<1>}	N[5,6a](B[5,6a]C[6a,6a]N[5]O)(N[6a]C[6a])(C[5]C[5]O){2|C<3>,5|H<1>}	O(B[5,6a]C[6a,6a]N[5,6a]N[5])(H)	111.0030	0.000	1	110.5213	0.182	3	111.0485	1.233	4	111.0485	1.233	4	111.1888	1.023	5	111.7055	3.082	13
679	813	893	0:SP3_SP2_SP3	B[5a,6]	N[5a,6]	O	3:3:2:2:	3:4:3:	4:4:	N[5a,6]-3:N[6]-3:O[5a]-2:O-2:	C[5a,6a]-3:B[5a,6]-4:C[6]-3:	B[5a,6]-4:B[5a,6]-4:	B[5a,6](N[5a,6]C[5a,6a]C[6])(N[6]C[6a]C[6])(O[5a]C[5a,6a])(OB[5a,6])	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]O[5a]N[6]O)(C[6]C[6]C)	O(B[5a,6]N[5a,6]O[5a]N[6])2	B[5a,6](N[5a,6]C[5a,6a]C[6])(N[6]C[6a]C[6])(O[5a]C[5a,6a])(OB[5a,6]){2|C<4>,5|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]O[5a]N[6]O)(C[6]C[6]C){2|H<1>,4|C<3>}	O(B[5a,6]N[5a,6]O[5a]N[6])2	114.1620	0.218	2	114.1620	0.047	2	114.1620	0.047	2	114.1620	0.047	2	114.1620	0.047	2	111.7055	3.082	13
679	813	893	0:SP3_SP2_SP3	B[5a]	N[5a,6]	O	3:2:3:2:	3:4:3:	4:4:	N[5a,6]-3:O[5a]-2:C[6a]-3:O-2:	C[5a,6,6a]-3:B[5a]-4:C[6]-3:	B[5a]-4:B[5a]-4:	B[5a](N[5a,6]C[5a,6,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)(OB[5a])	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[6a]O[5a]O)(C[6]C[6]H)	O(B[5a]N[5a,6]C[6a]O[5a])2	B[5a](N[5a,6]C[5a,6,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)(OB[5a]){1|H<1>,2|F<1>,5|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[6a]O[5a]O)(C[6]C[6]H){1|H<1>,5|C<3>}	O(B[5a]N[5a,6]C[6a]O[5a])2	111.6365	0.616	2	111.6365	0.379	2	111.6365	0.379	2	111.6365	0.379	2	111.6365	0.379	2	111.7055	3.082	13
679	813	893	0:SP3_SP2_SP3	B[5a]	N[5a,6a]	O	3:3:4:2:	3:4:3:	4:4:	N[5a,6a]-3:N[5a,6a]-3:C[5]-4:O-2:	C[5a,6a]-3:B[5a]-4:C[6a]-3:	B[5a]-4:B[5a]-4:	B[5a](N[5a,6a]C[5a,6a]C[6a])2(C[5]C[5]2Fe)(OB[5a])	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]C[5]O)(C[6a]C[6a]H)	O(B[5a]N[5a,6a]2C[5])2	B[5a](N[5a,6a]C[5a,6a]C[6a])2(C[5]C[5]2Fe)(OB[5a]){2|C<4>,4|C<3>,4|H<1>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]C[5]O)(C[6a]C[6a]H){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	O(B[5a]N[5a,6a]2C[5])2	111.1575	2.439	4	111.1575	5.951	4	111.1575	5.951	4	111.1575	5.951	4	111.1575	5.951	4	111.7055	3.082	13
679	813	924	0:SP3_SP-NON_SP2	B[5a]	N[5a]	Br	3:3:1:1:	3:4:3:	4:	N[5a]-3:N[5a]-3:Br-1:Br-1:	C[5,5a]-3:B[5a]-4:C[6a]-3:	B[5a]-4:	B[5a](N[5a]C[5,5a]C[6a])2(Br)2	N[5a](C[5,5a]C[5,5a]C[5,6a])(B[5a]N[5a]Br2)(C[6a]C[6a]2)	Br(B[5a]N[5a]2Br)	B[5a](N[5a]C[5,5a]C[6a])2(Br)2{6|C<3>}	N[5a](C[5,5a]C[5,5a]C[5,6a])(B[5a]N[5a]Br2)(C[6a]C[6a]2){2|C<4>,6|C<3>}	Br(B[5a]N[5a]2Br)	112.4200	2.657	4	112.4200	7.061	4	112.4200	7.061	4	112.4200	7.061	4	110.1927	16.201	6	110.1927	16.201	6
679	813	924	0:SP3_SP-NON_SP2	B[5a]	N[5a]	Br	3:3:3:1:	3:4:3:	4:	N[5a]-3:N[5a]-3:C[6a]-3:Br-1:	C[5a,5a]-3:B[5a]-4:C[6a]-3:	B[5a]-4:	B[5a](N[5a]C[5a,5a]C[6a])2(C[6a]C[6a]2)(Br)	N[5a](C[5a,5a]C[5a,5a]N[5a])(B[5a]C[6a]N[5a]Br)(C[6a]C[6a]2)	Br(B[5a]C[6a]N[5a]2)	B[5a](N[5a]C[5a,5a]C[6a])2(C[6a]C[6a]2)(Br){2|H<1>,2|N<3>,6|C<3>}	N[5a](C[5a,5a]C[5a,5a]N[5a])(B[5a]C[6a]N[5a]Br)(C[6a]C[6a]2){1|B<4>,1|N<3>,2|C<4>,6|C<3>}	Br(B[5a]C[6a]N[5a]2)	105.7380	0.539	2	105.7380	0.290	2	105.7380	0.290	2	105.7380	0.290	2	110.1927	16.201	6	110.1927	16.201	6
679	813	930	0:SP3_SP2_SP2	B[5a]	N[5a,6a]	C	3:3:4:3:	3:4:3:	4:3:1:	N[5a,6a]-3:N[5a,6a]-3:C[5]-4:C-3:	C[5a,6a]-3:B[5a]-4:C[6a]-3:	B[5a]-4:C-3:H-1:	B[5a](N[5a,6a]C[5a,6a]C[6a])2(C[5]C[5]2Fe)(CCH)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]C[5]C)(C[6a]C[6a]H)	C(B[5a]N[5a,6a]2C[5])(CHH)(H)	B[5a](N[5a,6a]C[5a,6a]C[6a])2(C[5]C[5]2Fe)(CCH){2|C<4>,4|C<3>,4|H<1>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]C[5]C)(C[6a]C[6a]H){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	C(B[5a]N[5a,6a]2C[5])(CHH)(H)	110.5730	0.815	2	110.5730	0.664	2	110.5730	0.664	2	110.5730	0.664	2	110.5730	0.664	2	110.5730	0.664	2
679	813	956	0:SP3_SP2_SP2	B[5a]	N[5a,6]	N	3:3:4:3:	3:4:3:	4:3:1:	N[5a,6a]-3:N[5a,6]-3:C[5]-4:N-3:	C[5a,6]-3:B[5a]-4:C[6]-3:	B[5a]-4:C[6a]-3:H-1:	B[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6])(C[5]C[5]2Fe)(NC[6a]H)	N[5a,6](C[5a,6]C[5a,6a]C[6])(B[5a]N[5a,6a]C[5]N)(C[6]C[6]H)	N(B[5a]N[5a,6a]N[5a,6]C[5])(C[6a]C[6a]2)(H)	B[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6])(C[5]C[5]2Fe)(NC[6a]H){2|C<4>,4|C<3>,4|H<1>}	N[5a,6](C[5a,6]C[5a,6a]C[6])(B[5a]N[5a,6a]C[5]N)(C[6]C[6]H){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	N(B[5a]N[5a,6a]N[5a,6]C[5])(C[6a]C[6a]2)(H)	112.6280	0.000	1	112.6280	0.000	1	112.6280	0.000	1	112.6280	0.000	1	112.6280	0.000	1	113.8730	1.954	8
679	813	956	0:SP3_SP2_SP2	B[5a]	N[5a,6a]	N	3:3:4:3:	3:4:3:	4:3:1:	N[5a,6a]-3:N[5a,6]-3:C[5]-4:N-3:	C[5a,6a]-3:B[5a]-4:C[6a]-3:	B[5a]-4:C[6a]-3:H-1:	B[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6])(C[5]C[5]2Fe)(NC[6a]H)	N[5a,6a](C[5a,6a]C[5a,6]C[6a])(B[5a]N[5a,6]C[5]N)(C[6a]C[6a]H)	N(B[5a]N[5a,6a]N[5a,6]C[5])(C[6a]C[6a]2)(H)	B[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6])(C[5]C[5]2Fe)(NC[6a]H){2|C<4>,4|C<3>,4|H<1>}	N[5a,6a](C[5a,6a]C[5a,6]C[6a])(B[5a]N[5a,6]C[5]N)(C[6a]C[6a]H){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	N(B[5a]N[5a,6a]N[5a,6]C[5])(C[6a]C[6a]2)(H)	112.9230	0.000	1	112.9230	0.000	1	112.9230	0.000	1	114.0563	4.464	3	114.0509	1.985	7	113.8730	1.954	8
679	813	956	0:SP3_SP2_SP2	B[5a]	N[5a,6a]	N	3:3:4:3:	3:4:3:	4:3:1:	N[5a,6a]-3:N[5a,6a]-3:C[5]-4:N-3:	C[5a,6a]-3:B[5a]-4:C[6a]-3:	B[5a]-4:C[6a]-3:H-1:	B[5a](N[5a,6a]C[5a,6a]C[6a])2(C[5]C[5]2Fe)(NC[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]C[5]N)(C[6a]C[6a]H)	N(B[5a]N[5a,6a]2C[5])(C[6a]C[6a]2)(H)	B[5a](N[5a,6a]C[5a,6a]C[6a])2(C[5]C[5]2Fe)(NC[6a]H){2|C<4>,4|C<3>,4|H<1>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]C[5]N)(C[6a]C[6a]H){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	N(B[5a]N[5a,6a]2C[5])(C[6a]C[6a]2)(H)	114.6230	2.646	2	114.6230	7.001	2	114.6230	7.001	2	114.0563	4.464	3	114.0509	1.985	7	113.8730	1.954	8
679	813	956	0:SP3_SP2_SP2	B[5a]	N[5a,6a]	N	3:3:4:3:	3:4:3:	4:4:4:	N[5a,6a]-3:N[5a,6a]-3:C[5]-4:N-3:	C[5a,6a]-3:B[5a]-4:C[6a]-3:	B[5a]-4:B[5a]-4:Si-4:	B[5a](N[5a,6a]C[5a,6a]C[6a])2(C[5]C[5]2Fe)(NB[5a]Si)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]C[5]N)(C[6a]C[6a]H)	N(B[5a]N[5a,6a]2C[5])2(SiC3)	B[5a](N[5a,6a]C[5a,6a]C[6a])2(C[5]C[5]2Fe)(NB[5a]Si){2|C<4>,4|C<3>,4|H<1>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]C[5]N)(C[6a]C[6a]H){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	N(B[5a]N[5a,6a]2C[5])2(SiC3)	114.0468	0.997	4	114.0468	0.994	4	114.0468	0.994	4	114.0468	0.994	4	114.0509	1.985	7	113.8730	1.954	8
679	813	956	0:SP3_SP2_SP3	B[5a]	N[5a,6a]	N	3:3:4:3:	3:4:3:	4:3:1:	N[5a,6a]-3:N[5a,6a]-3:C[5]-4:N-3:	C[5a,6a]-3:B[5a]-4:C[6a]-3:	B[5a]-4:C[6a]-3:H-1:	B[5a](N[5a,6a]C[5a,6a]C[6a])2(C[5]C[5]2Fe)(NC[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]C[5]N)(C[6a]C[6a]H)	N(B[5a]N[5a,6a]2C[5])(C[6a]C[6a]2)(H)	B[5a](N[5a,6a]C[5a,6a]C[6a])2(C[5]C[5]2Fe)(NC[6a]H){2|C<4>,4|C<3>,4|H<1>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]C[5]N)(C[6a]C[6a]H){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	N(B[5a]N[5a,6a]2C[5])(C[6a]C[6a]2)(H)	114.4495	0.616	2	114.4495	0.379	2	114.4495	0.379	2	114.4495	0.379	2	115.2245	4.778	4	115.2245	4.778	4
679	813	956	0:SP3_SP2_SP3	B[5a]	N[5a,6a]	N	3:3:4:3:	3:4:3:	4:4:1:	N[5a,6a]-3:N[5a,6a]-3:C[5]-4:N-3:	C[5a,6a]-3:B[5a]-4:C[6a]-3:	B[5a]-4:C-4:H-1:	B[5a](N[5a,6a]C[5a,6a]C[6a])2(C[5]C[5]2Fe)(NCH)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]C[5]N)(C[6a]C[6a]H)	N(B[5a]N[5a,6a]2C[5])(CC3)(H)	B[5a](N[5a,6a]C[5a,6a]C[6a])2(C[5]C[5]2Fe)(NCH){2|C<4>,4|C<3>,4|H<1>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]C[5]N)(C[6a]C[6a]H){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	N(B[5a]N[5a,6a]2C[5])(CC3)(H)	115.9995	3.399	2	115.9995	11.554	2	115.9995	11.554	2	115.9995	11.554	2	115.2245	4.778	4	115.2245	4.778	4
679	813	976	0:SP3_SP2_SP2	B[5,5a]	N[5a,6]	O[5]	3:3:2:2:	3:4:3:	4:3:	N[5a,6]-3:C[5,6a]-3:O[5a]-2:O[5]-2:	C[5a,6,6a]-3:B[5,5a]-4:C[6]-3:	B[5,5a]-4:B[5]-3:	B[5,5a](N[5a,6]C[5a,6,6a]C[6])(C[5,6a]C[5,6a]C[6a])(O[5a]C[5a,6a])(O[5]B[5])	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5,5a]C[5,6a]O[5a]O[5])(C[6]C[6]H)	O[5](B[5,5a]C[5,6a]N[5a,6]O[5a])(B[5]C[5,6a]O)	B[5,5a](N[5a,6]C[5a,6,6a]C[6])(C[5,6a]C[5,6a]C[6a])(O[5a]C[5a,6a])(O[5]B[5]){1|O<2>,2|H<1>,5|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5,5a]C[5,6a]O[5a]O[5])(C[6]C[6]H){1|B<3>,1|H<1>,5|C<3>}	O[5](B[5,5a]C[5,6a]N[5a,6]O[5a])(B[5]C[5,6a]O){5|C<3>}	110.2480	0.000	1	110.2480	0.000	1	110.2480	0.000	1	110.2480	0.000	1	110.2480	0.000	1	110.2480	0.000	1
679	813	976	0:SP3_SP2_SP3	B[5,5a]	N[5a,6]	O[5]	3:3:2:2:	4:3:3:	4:4:	C[5a,6a]-3:N[5a,6]-3:O[5]-2:O[5]-2:	B[5,5a]-4:C[5a,6]-3:C[6]-3:	B[5,5a]-4:C[5]-4:	B[5,5a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6])(O[5]C[5])2	N[5a,6](B[5,5a]C[5a,6a]O[5]2)(C[5a,6]N[5a,6a]C[6])(C[6]C[6]H)	O[5](B[5,5a]C[5a,6a]N[5a,6]O[5])(C[5]C[5]CC)	B[5,5a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6])(O[5]C[5])2{2|H<1>,4|C<3>,4|C<4>}	N[5a,6](B[5,5a]C[5a,6a]O[5]2)(C[5a,6]N[5a,6a]C[6])(C[6]C[6]H){2|C<4>,2|H<1>,3|C<3>}	O[5](B[5,5a]C[5a,6a]N[5a,6]O[5])(C[5]C[5]CC){1|N<3>,2|C<4>,3|C<3>}	110.3727	4.261	4	110.3727	18.155	4	110.3727	18.155	4	110.3727	18.155	4	110.3727	18.155	4	112.5619	15.362	10
679	813	976	0:SP3_SP2_SP3	B[5,5a]	N[5a,6a]	O[5]	3:3:2:2:	3:4:3:	4:4:	N[5a,6a]-3:N[5a]-3:O[5]-2:O[5]-2:	C[5a,6a]-3:B[5,5a]-4:C[6a]-3:	B[5,5a]-4:C[5]-4:	B[5,5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])(O[5]C[5])2	N[5a,6a](C[5a,6a]C[5a]C[6a])(B[5,5a]N[5a]O[5]2)(C[6a]C[6a]H)	O[5](B[5,5a]N[5a,6a]N[5a]O[5])(C[5]C[5]CC)	B[5,5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])(O[5]C[5])2{1|H<1>,4|C<4>,5|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(B[5,5a]N[5a]O[5]2)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	O[5](B[5,5a]N[5a,6a]N[5a]O[5])(C[5]C[5]CC){2|C<4>,4|C<3>}	110.8800	1.226	2	110.8800	1.503	2	110.8800	1.503	2	110.8800	1.503	2	112.7458	10.226	4	112.5619	15.362	10
679	813	976	0:SP3_SP2_SP3	B[5,5a]	N[5a,6a]	O[5]	3:4:2:2:	3:4:3:	4:4:	N[5a,6a]-3:N[5a]-4:O[5]-2:O[5]-2:	C[5a,6a]-3:B[5,5a]-4:C[6a]-3:	B[5,5a]-4:C[5]-4:	B[5,5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a]H)(O[5]C[5])2	N[5a,6a](C[5a,6a]C[5a]C[6a])(B[5,5a]N[5a]O[5]2)(C[6a]N[6a]H)	O[5](B[5,5a]N[5a,6a]N[5a]O[5])(C[5]C[5]CC)	B[5,5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a]H)(O[5]C[5])2{1|B<3>,1|H<1>,1|N<2>,3|C<3>,4|C<4>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(B[5,5a]N[5a]O[5]2)(C[6a]N[6a]H){1|B<3>,2|C<3>,2|C<4>,2|H<1>}	O[5](B[5,5a]N[5a,6a]N[5a]O[5])(C[5]C[5]CC){1|H<1>,2|C<4>,4|C<3>}	114.6115	3.905	2	114.6115	15.252	2	114.6115	15.252	2	114.6115	15.252	2	112.7458	10.226	4	112.5619	15.362	10
679	813	976	0:SP3_SP2_SP3	B[5,5a]	N[5a]	O[5]	3:3:2:2:	4:3:3:	4:4:	N[5a,6a]-3:N[5a]-3:O[5]-2:O[5]-2:	B[5,5a]-4:C[5a]-3:C[6a]-3:	B[5,5a]-4:C[5]-4:	B[5,5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])(O[5]C[5])2	N[5a](B[5,5a]N[5a,6a]O[5]2)(C[5a]C[5a,6a]C)(C[6a]C[6a]2)	O[5](B[5,5a]N[5a,6a]N[5a]O[5])(C[5]C[5]CC)	B[5,5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])(O[5]C[5])2{1|H<1>,4|C<4>,5|C<3>}	N[5a](B[5,5a]N[5a,6a]O[5]2)(C[5a]C[5a,6a]C)(C[6a]C[6a]2){4|C<3>,4|C<4>}	O[5](B[5,5a]N[5a,6a]N[5a]O[5])(C[5]C[5]CC){2|C<4>,4|C<3>}	116.5725	1.281	2	116.5725	1.640	2	116.5725	1.640	2	116.5725	1.640	2	116.5725	1.640	2	112.5619	15.362	10
679	813	998	0:SP3_SP2_SP3	B[5a]	N[5a]	N[5a]	3:3:4:3:	4:3:2:	4:4:4:1:	N[5,5a]-3:N[5a]-3:N[5a]-4:C[6a]-3:	B[5a]-4:C[5a]-3:N[5a]-2:	B[5a]-4:B[5a]-4:C-4:H-1:	B[5a](N[5,5a]N[5,5a]C[5])(N[5a]C[5a]N[5a])(N[5a]B[5a]CH)(C[6a]C[6a]2)	N[5a](B[5a]N[5,5a]C[6a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](B[5a]N[5,5a]C[6a]N[5a])2(CH3)(H)	B[5a](N[5,5a]N[5,5a]C[5])(N[5a]C[5a]N[5a])(N[5a]B[5a]CH)(C[6a]C[6a]2){1|N<3>,4|H<1>,7|C<3>}	N[5a](B[5a]N[5,5a]C[6a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]){1|B<4>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	N[5a](B[5a]N[5,5a]C[6a]N[5a])2(CH3)(H){2|N<2>,8|C<3>}	108.1545	0.170	2	108.1545	0.029	2	108.1545	0.029	2	108.1545	0.029	2	108.1545	0.029	2	108.1545	0.029	2
679	813	998	5:SP3_SP2_SP3	B[5,5a]	N[5a,6a]	N[5a]	3:4:2:2:	3:4:3:	4:3:3:1:	N[5a,6a]-3:N[5a]-4:O[5]-2:O[5]-2:	C[5a,6a]-3:B[5,5a]-4:C[6a]-3:	B[5,5a]-4:C[5a]-3:C[6a]-3:H-1:	B[5,5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a]H)(O[5]C[5])2	N[5a,6a](C[5a,6a]C[5a]C[6a])(B[5,5a]N[5a]O[5]2)(C[6a]N[6a]H)	N[5a](B[5,5a]N[5a,6a]O[5]2)(C[5a]C[5a,6a]B)(C[6a]C[6a]2)(H)	B[5,5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a]H)(O[5]C[5])2{1|B<3>,1|H<1>,1|N<2>,3|C<3>,4|C<4>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(B[5,5a]N[5a]O[5]2)(C[6a]N[6a]H){1|B<3>,2|C<3>,2|C<4>,2|H<1>}	N[5a](B[5,5a]N[5a,6a]O[5]2)(C[5a]C[5a,6a]B)(C[6a]C[6a]2)(H){4|C<3>,4|C<4>}	95.5024	0.000	1	95.5024	0.000	1	95.5024	0.000	1	95.5024	0.000	1	95.5024	0.000	1	97.6121	3.443	5
679	813	998	5:SP3_SP2_SP3	B[5a]	N[5,5a]	N[5a]	3:3:4:3:	4:3:3:	4:4:4:1:	N[5,5a]-3:N[5a]-3:N[5a]-4:C[6a]-3:	B[5a]-4:N[5,5a]-3:C[5]-3:	B[5a]-4:B[5a]-4:C-4:H-1:	B[5a](N[5,5a]N[5,5a]C[5])(N[5a]C[5a]N[5a])(N[5a]B[5a]CH)(C[6a]C[6a]2)	N[5,5a](B[5a]C[6a]N[5a]2)(N[5,5a]B[5a]C[5])(C[5]C[5]H)	N[5a](B[5a]N[5,5a]C[6a]N[5a])2(CH3)(H)	B[5a](N[5,5a]N[5,5a]C[5])(N[5a]C[5a]N[5a])(N[5a]B[5a]CH)(C[6a]C[6a]2){1|N<3>,4|H<1>,7|C<3>}	N[5,5a](B[5a]C[6a]N[5a]2)(N[5,5a]B[5a]C[5])(C[5]C[5]H){1|C<4>,1|N<2>,1|N<3>,3|H<1>,4|C<3>}	N[5a](B[5a]N[5,5a]C[6a]N[5a])2(CH3)(H){2|N<2>,8|C<3>}	96.7125	0.250	2	96.7125	0.063	2	96.7125	0.063	2	96.7125	0.063	2	98.1395	2.737	4	97.6121	3.443	5
679	813	998	5:SP3_SP2_SP3	B[5a]	N[5,5a]	N[5a]	3:4:3:3:	4:3:3:	4:4:4:1:	N[5,5a]-3:N[5a]-4:N[5]-3:C[6a]-3:	B[5a]-4:N[5,5a]-3:C[5]-3:	B[5a]-4:B[5a]-4:C-4:H-1:	B[5a](N[5,5a]N[5,5a]C[5])(N[5a]B[5a]CH)(N[5]C[5]N[5])(C[6a]C[6a]2)	N[5,5a](B[5a]C[6a]N[5a]N[5])(N[5,5a]B[5a]C[5])(C[5]C[5]H)	N[5a](B[5a]N[5,5a]C[6a]N[5])2(CH3)(H)	B[5a](N[5,5a]N[5,5a]C[5])(N[5a]B[5a]CH)(N[5]C[5]N[5])(C[6a]C[6a]2){1|Co<4>,1|N<3>,4|H<1>,7|C<3>}	N[5,5a](B[5a]C[6a]N[5a]N[5])(N[5,5a]B[5a]C[5])(C[5]C[5]H){1|C<4>,2|N<3>,3|H<1>,4|C<3>}	N[5a](B[5a]N[5,5a]C[6a]N[5])2(CH3)(H){2|N<3>,8|C<3>}	99.5666	0.041	2	99.5666	0.002	2	99.5666	0.002	2	99.5666	0.002	2	98.1395	2.737	4	97.6121	3.443	5
679	813	999	5:SP3_SP2_SP3	B[5,6a]	N[5,6a]	N[5]	3:3:4:2:	4:2:3:	4:4:1:1:	C[6a,6a]-3:N[5,6a]-3:N[5]-4:O-2:	B[5,6a]-4:N[6a]-2:C[5]-3:	B[5,6a]-4:C[5]-4:H-1:H-1:	B[5,6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[6a]C[5])(N[5]C[5]HH)(OH)	N[5,6a](B[5,6a]C[6a,6a]N[5]O)(N[6a]C[6a])(C[5]C[5]O)	N[5](B[5,6a]C[6a,6a]N[5,6a]O)(C[5]C[5]CH)(H)2	B[5,6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[6a]C[5])(N[5]C[5]HH)(OH){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[5,6a](B[5,6a]C[6a,6a]N[5]O)(N[6a]C[6a])(C[5]C[5]O){1|C<4>,2|C<3>,4|H<1>}	N[5](B[5,6a]C[6a,6a]N[5,6a]O)(C[5]C[5]CH)(H)2{1|N<2>,1|O<1>,2|C<3>}	97.0750	0.000	1	97.0750	0.000	1	97.7035	0.296	3	97.7035	0.296	3	97.2649	0.967	4	97.2649	0.967	4
679	813	999	5:SP3_SP2_SP3	B[5,6a]	N[5,6a]	N[5]	3:3:4:2:	4:2:3:	4:4:1:1:	C[6a,6a]-3:N[5,6a]-3:N[5]-4:O-2:	B[5,6a]-4:N[6a]-2:C[5]-3:	B[5,6a]-4:C[5]-4:H-1:H-1:	B[5,6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[6a]C[5])(N[5]C[5]HH)(OH)	N[5,6a](B[5,6a]C[6a,6a]N[5]O)(N[6a]C[6a])(C[5]C[5]O)	N[5](B[5,6a]C[6a,6a]N[5,6a]O)(C[5]C[5]HH)(H)2	B[5,6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[6a]C[5])(N[5]C[5]HH)(OH){1|O<1>,3|C<3>,3|H<1>}	N[5,6a](B[5,6a]C[6a,6a]N[5]O)(N[6a]C[6a])(C[5]C[5]O){1|C<4>,2|C<3>,4|H<1>}	N[5](B[5,6a]C[6a,6a]N[5,6a]O)(C[5]C[5]HH)(H)2{1|N<2>,1|O<1>,2|C<3>}	98.0087	0.000	1	98.0177	0.000	2	97.7035	0.296	3	97.7035	0.296	3	97.2649	0.967	4	97.2649	0.967	4
679	813	999	5:SP3_SP2_SP3	B[5,6a]	N[5,6a]	N[5]	3:3:4:2:	4:2:3:	4:4:1:1:	C[6a,6a]-3:N[5,6a]-3:N[5]-4:O-2:	B[5,6a]-4:N[6a]-2:C[5]-3:	B[5,6a]-4:C[5]-4:H-1:H-1:	B[5,6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[6a]C[5])(N[5]C[5]HH)(OH)	N[5,6a](B[5,6a]C[6a,6a]N[5]O)(N[6a]C[6a])(C[5]C[5]O)	N[5](B[5,6a]C[6a,6a]N[5,6a]O)(C[5]C[5]HH)(H)2	B[5,6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[6a]C[5])(N[5]C[5]HH)(OH){1|O<1>,3|C<3>,3|H<1>}	N[5,6a](B[5,6a]C[6a,6a]N[5]O)(N[6a]C[6a])(C[5]C[5]O){2|C<3>,5|H<1>}	N[5](B[5,6a]C[6a,6a]N[5,6a]O)(C[5]C[5]HH)(H)2{1|N<2>,1|O<1>,2|C<3>}	98.0267	0.000	1	98.0177	0.000	2	97.7035	0.296	3	97.7035	0.296	3	97.2649	0.967	4	97.2649	0.967	4
679	813	999	5:SP3_SP2_SP3	B[5,6a]	N[5,6a]	N[5]	3:3:4:2:	4:2:3:	4:4:4:4:	C[6a,6a]-3:N[5,6a]-3:N[5]-4:O-2:	B[5,6a]-4:N[6a]-2:C[5]-3:	B[5,6a]-4:C[5]-4:C-4:C-4:	B[5,6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[6a]C[5])(N[5]C[5]CC)(OH)	N[5,6a](B[5,6a]C[6a,6a]N[5]O)(N[6a]C[6a])(C[5]C[5]O)	N[5](B[5,6a]C[6a,6a]N[5,6a]O)(C[5]C[5]CH)(CH3)2	B[5,6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[6a]C[5])(N[5]C[5]CC)(OH){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[5,6a](B[5,6a]C[6a,6a]N[5]O)(N[6a]C[6a])(C[5]C[5]O){2|C<3>,2|H<1>,3|C<4>}	N[5](B[5,6a]C[6a,6a]N[5,6a]O)(C[5]C[5]CH)(CH3)2{1|N<2>,1|O<1>,2|C<3>}	95.9494	0.000	1	95.9494	0.000	1	95.9494	0.000	1	95.9494	0.000	1	97.2649	0.967	4	97.2649	0.967	4
679	818	999	5:SP3_SP2_SP3	B[5,5a]	C[5]	N[5,6]	4:3:2:2:	4:3:3:	4:3:4:4:	N[5,6]-4:C[5]-3:O[5a]-2:O[5a]-2:	B[5,5a]-4:C[5,5]-3:N[6]-3:	B[5,5a]-4:C[5,5]-3:C[6]-4:C[6]-4:	B[5,5a](N[5,6]C[5,5]C[6]2)(C[5]C[5,5]N[6])(O[5a]C[5a,6a])2	C[5](B[5,5a]N[5,6]O[5a]2)(C[5,5]C[5,5]N[5,6])(N[6]C[6]2)	N[5,6](B[5,5a]O[5a]2C[5])(C[5,5]C[5,5]C[5])(C[6]C[6]HH)2	B[5,5a](N[5,6]C[5,5]C[6]2)(C[5]C[5,5]N[6])(O[5a]C[5a,6a])2{1|N<4>,3|C<3>,4|C<4>,4|H<1>}	C[5](B[5,5a]N[5,6]O[5a]2)(C[5,5]C[5,5]N[5,6])(N[6]C[6]2){1|B<4>,3|C<3>,4|H<1>,6|C<4>}	N[5,6](B[5,5a]O[5a]2C[5])(C[5,5]C[5,5]C[5])(C[6]C[6]HH)2{1|B<4>,1|C<4>,1|N<4>,2|C<3>,2|N<3>,4|H<1>}	100.0860	0.000	1	100.0860	0.000	1	100.0860	0.000	1	100.0860	0.000	1	100.0860	0.000	1	100.0860	0.000	1
679	830	830	0:SP3_SP-NON_SP-NON	B[5a]	F	F	2:2:1:1:	4:	4:	O[5a]-2:O[5a]-2:F-1:F-1:	B[5a]-4:	B[5a]-4:	B[5a](O[5a]C[5a,6])2(F)2	F(B[5a]O[5a]2F)	F(B[5a]O[5a]2F)	B[5a](O[5a]C[5a,6])2(F)2{2|C<3>}	F(B[5a]O[5a]2F)	F(B[5a]O[5a]2F)	112.0610	0.000	1	112.0610	0.000	1	112.0610	0.000	1	112.0610	0.000	1	110.7919	1.348	34	110.7919	1.348	34
679	830	830	0:SP3_SP-NON_SP-NON	B[5a]	F	F	3:2:1:1:	4:	4:	N[5a]-3:O[5a]-2:F-1:F-1:	B[5a]-4:	B[5a]-4:	B[5a](N[5a]C[5a]C)(O[5a]C[5a])(F)2	F(B[5a]N[5a]O[5a]F)	F(B[5a]N[5a]O[5a]F)	B[5a](N[5a]C[5a]C)(O[5a]C[5a])(F)2{1|C<3>,1|H<1>}	F(B[5a]N[5a]O[5a]F)	F(B[5a]N[5a]O[5a]F)	110.1880	0.028	2	109.5100	0.329	8	110.3293	0.901	18	110.3293	0.901	18	110.7919	1.348	34	110.7919	1.348	34
679	830	830	0:SP3_SP-NON_SP-NON	B[5a]	F	F	3:2:1:1:	4:	4:	N[5a]-3:O[5a]-2:F-1:F-1:	B[5a]-4:	B[5a]-4:	B[5a](N[5a]C[5a]C)(O[5a]C[5a])(F)2	F(B[5a]N[5a]O[5a]F)	F(B[5a]N[5a]O[5a]F)	B[5a](N[5a]C[5a]C)(O[5a]C[5a])(F)2{2|C<3>}	F(B[5a]N[5a]O[5a]F)	F(B[5a]N[5a]O[5a]F)	109.2840	0.463	6	109.5100	0.329	8	110.3293	0.901	18	110.3293	0.901	18	110.7919	1.348	34	110.7919	1.348	34
679	830	830	0:SP3_SP-NON_SP-NON	B[5a]	F	F	3:2:1:1:	4:	4:	N[5a]-3:O[5a]-2:F-1:F-1:	B[5a]-4:	B[5a]-4:	B[5a](N[5a]C[5a]C[6a])(O[5a]C[5a])(F)2	F(B[5a]N[5a]O[5a]F)	F(B[5a]N[5a]O[5a]F)	B[5a](N[5a]C[5a]C[6a])(O[5a]C[5a])(F)2{4|C<3>}	F(B[5a]N[5a]O[5a]F)	F(B[5a]N[5a]O[5a]F)	110.2910	0.000	1	110.2910	0.000	1	110.3293	0.901	18	110.3293	0.901	18	110.7919	1.348	34	110.7919	1.348	34
679	830	830	0:SP3_SP-NON_SP-NON	B[5a]	F	F	3:2:1:1:	4:	4:	N[5a]-3:O[5a]-2:F-1:F-1:	B[5a]-4:	B[5a]-4:	B[5a](N[5a]N[5a]C)(O[5a]C[5a])(F)2	F(B[5a]N[5a]O[5a]F)	F(B[5a]N[5a]O[5a]F)	B[5a](N[5a]N[5a]C)(O[5a]C[5a])(F)2{1|C<3>}	F(B[5a]N[5a]O[5a]F)	F(B[5a]N[5a]O[5a]F)	111.0618	0.594	9	111.0618	0.352	9	110.3293	0.901	18	110.3293	0.901	18	110.7919	1.348	34	110.7919	1.348	34
679	830	830	0:SP3_SP-NON_SP-NON	B[5a]	F	F	3:3:1:1:	4:	4:	C[5a,6a]-3:N[5,5a]-3:F-1:F-1:	B[5a]-4:	B[5a]-4:	B[5a](C[5a,6a]C[5a,6a]C[6a])(N[5,5a]N[5,5a]C[5])(F)2	F(B[5a]C[5a,6a]N[5,5a]F)	F(B[5a]C[5a,6a]N[5,5a]F)	B[5a](C[5a,6a]C[5a,6a]C[6a])(N[5,5a]N[5,5a]C[5])(F)2{1|C<4>,1|N<2>,4|C<3>}	F(B[5a]C[5a,6a]N[5,5a]F)	F(B[5a]C[5a,6a]N[5,5a]F)	111.2860	0.000	1	110.9780	0.190	2	110.9780	0.190	2	111.2623	1.457	15	110.7919	1.348	34	110.7919	1.348	34
679	830	830	0:SP3_SP-NON_SP-NON	B[5a]	F	F	3:3:1:1:	4:	4:	C[5a,6a]-3:N[5,5a]-3:F-1:F-1:	B[5a]-4:	B[5a]-4:	B[5a](C[5a,6a]C[5a,6a]C[6a])(N[5,5a]N[5,5a]C[5])(F)2	F(B[5a]C[5a,6a]N[5,5a]F)	F(B[5a]C[5a,6a]N[5,5a]F)	B[5a](C[5a,6a]C[5a,6a]C[6a])(N[5,5a]N[5,5a]C[5])(F)2{1|N<2>,2|C<4>,3|C<3>}	F(B[5a]C[5a,6a]N[5,5a]F)	F(B[5a]C[5a,6a]N[5,5a]F)	110.6700	0.000	1	110.9780	0.190	2	110.9780	0.190	2	111.2623	1.457	15	110.7919	1.348	34	110.7919	1.348	34
679	830	830	0:SP3_SP-NON_SP-NON	B[5a]	F	F	3:3:1:1:	4:	4:	C[5a,6a]-3:N[5a,6]-3:F-1:F-1:	B[5a]-4:	B[5a]-4:	B[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6])(F)2	F(B[5a]C[5a,6a]N[5a,6]F)	F(B[5a]C[5a,6a]N[5a,6]F)	B[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6])(F)2{2|H<1>,4|C<3>}	F(B[5a]C[5a,6a]N[5a,6]F)	F(B[5a]C[5a,6a]N[5a,6]F)	109.3570	0.429	2	109.3570	0.184	2	109.3570	0.184	2	111.2623	1.457	15	110.7919	1.348	34	110.7919	1.348	34
679	830	830	0:SP3_SP-NON_SP-NON	B[5a]	F	F	3:3:1:1:	4:	4:	N[5a,5a]-3:N[5a,6]-3:F-1:F-1:	B[5a]-4:	B[5a]-4:	B[5a](N[5a,5a]C[5a,5a]C[5a,6a])(N[5a,6]C[5a,6]C[6,6a])(F)2	F(B[5a]N[5a,5a]N[5a,6]F)	F(B[5a]N[5a,5a]N[5a,6]F)	B[5a](N[5a,5a]C[5a,5a]C[5a,6a])(N[5a,6]C[5a,6]C[6,6a])(F)2{1|N<2>,5|C<3>}	F(B[5a]N[5a,5a]N[5a,6]F)	F(B[5a]N[5a,5a]N[5a,6]F)	111.4270	0.000	1	111.4270	0.000	1	110.8420	0.394	3	111.2623	1.457	15	110.7919	1.348	34	110.7919	1.348	34
679	830	830	0:SP3_SP-NON_SP-NON	B[5a]	F	F	3:3:1:1:	4:	4:	N[5a,5a]-3:N[5a,6]-3:F-1:F-1:	B[5a]-4:	B[5a]-4:	B[5a](N[5a,5a]C[5a,5a]C[5a])(N[5a,6]C[5a,6]C[6,6a])(F)2	F(B[5a]N[5a,5a]N[5a,6]F)	F(B[5a]N[5a,5a]N[5a,6]F)	B[5a](N[5a,5a]C[5a,5a]C[5a])(N[5a,6]C[5a,6]C[6,6a])(F)2{1|C<4>,5|C<3>}	F(B[5a]N[5a,5a]N[5a,6]F)	F(B[5a]N[5a,5a]N[5a,6]F)	110.1790	0.000	1	110.1790	0.000	1	110.8420	0.394	3	111.2623	1.457	15	110.7919	1.348	34	110.7919	1.348	34
679	830	830	0:SP3_SP-NON_SP-NON	B[5a]	F	F	3:3:1:1:	4:	4:	N[5a,5a]-3:N[5a,6]-3:F-1:F-1:	B[5a]-4:	B[5a]-4:	B[5a](N[5a,5a]C[5a,5a]C[5a])(N[5a,6]C[5a,6]C[6])(F)2	F(B[5a]N[5a,5a]N[5a,6]F)	F(B[5a]N[5a,5a]N[5a,6]F)	B[5a](N[5a,5a]C[5a,5a]C[5a])(N[5a,6]C[5a,6]C[6])(F)2{1|H<1>,1|N<2>,4|C<3>}	F(B[5a]N[5a,5a]N[5a,6]F)	F(B[5a]N[5a,5a]N[5a,6]F)	110.9200	0.000	1	110.9200	0.000	1	110.8420	0.394	3	111.2623	1.457	15	110.7919	1.348	34	110.7919	1.348	34
679	830	830	0:SP3_SP-NON_SP-NON	B[5a]	F	F	3:3:1:1:	4:	4:	N[5a,5a]-3:N[5a]-3:F-1:F-1:	B[5a]-4:	B[5a]-4:	B[5a](N[5a,5a]C[5a,5a]C[5a])(N[5a]C[6a]N[5a])(F)2	F(B[5a]N[5a,5a]N[5a]F)	F(B[5a]N[5a,5a]N[5a]F)	B[5a](N[5a,5a]C[5a,5a]C[5a])(N[5a]C[6a]N[5a])(F)2{1|C<4>,4|C<3>}	F(B[5a]N[5a,5a]N[5a]F)	F(B[5a]N[5a,5a]N[5a]F)	111.0433	0.667	3	111.2818	0.524	4	111.2818	0.524	4	111.2623	1.457	15	110.7919	1.348	34	110.7919	1.348	34
679	830	830	0:SP3_SP-NON_SP-NON	B[5a]	F	F	3:3:1:1:	4:	4:	N[5a,5a]-3:N[5a]-3:F-1:F-1:	B[5a]-4:	B[5a]-4:	B[5a](N[5a,5a]C[5a,5a]C[5a])(N[5a]C[6a]N[5a])(F)2	F(B[5a]N[5a,5a]N[5a]F)	F(B[5a]N[5a,5a]N[5a]F)	B[5a](N[5a,5a]C[5a,5a]C[5a])(N[5a]C[6a]N[5a])(F)2{1|N<2>,4|C<3>}	F(B[5a]N[5a,5a]N[5a]F)	F(B[5a]N[5a,5a]N[5a]F)	111.9970	0.000	1	111.2818	0.524	4	111.2818	0.524	4	111.2623	1.457	15	110.7919	1.348	34	110.7919	1.348	34
679	830	830	0:SP3_SP-NON_SP-NON	B[5a]	F	F	3:3:1:1:	4:	4:	N[5a,6a]-3:N[5a]-3:F-1:F-1:	B[5a]-4:	B[5a]-4:	B[5a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a]N)(F)2	F(B[5a]N[5a,6a]N[5a]F)	F(B[5a]N[5a,6a]N[5a]F)	B[5a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a]N)(F)2{1|C<2>,3|C<3>}	F(B[5a]N[5a,6a]N[5a]F)	F(B[5a]N[5a,6a]N[5a]F)	112.6467	0.993	3	112.6467	0.987	3	112.6530	0.658	4	111.2623	1.457	15	110.7919	1.348	34	110.7919	1.348	34
679	830	830	0:SP3_SP-NON_SP-NON	B[5a]	F	F	3:3:1:1:	4:	4:	N[5a,6a]-3:N[5a]-3:F-1:F-1:	B[5a]-4:	B[5a]-4:	B[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]B)(F)2	F(B[5a]N[5a,6a]N[5a]F)	F(B[5a]N[5a,6a]N[5a]F)	B[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]B)(F)2{1|H<1>,3|C<3>}	F(B[5a]N[5a,6a]N[5a]F)	F(B[5a]N[5a,6a]N[5a]F)	112.6720	0.000	1	112.6720	0.000	1	112.6530	0.658	4	111.2623	1.457	15	110.7919	1.348	34	110.7919	1.348	34
679	830	856	0:SP3_SP-NON_SP2	B[5a,6]	F	N[6]	3:2:3:1:	4:	4:3:4:	N[5a,6]-3:O[5a]-2:N[6]-3:F-1:	B[5a,6]-4:	B[5a,6]-4:C[5a,6]-3:S-4:	B[5a,6](N[5a,6]C[5a,6a]N[6])(O[5a]C[5a,6a])(N[6]C[5a,6]S)(F)	F(B[5a,6]N[5a,6]O[5a]N[6])	N[6](B[5a,6]N[5a,6]O[5a]F)(C[5a,6]C[5a,6]N[5a])(SC[6a]OO)	B[5a,6](N[5a,6]C[5a,6a]N[6])(O[5a]C[5a,6a])(N[6]C[5a,6]S)(F){1|N<3>,3|C<3>}	F(B[5a,6]N[5a,6]O[5a]N[6])	N[6](B[5a,6]N[5a,6]O[5a]F)(C[5a,6]C[5a,6]N[5a])(SC[6a]OO){1|C<4>,1|N<2>,4|C<3>}	108.2600	0.000	1	108.2600	0.000	1	108.2600	0.000	1	108.2600	0.000	1	108.5950	0.224	2	108.5950	0.224	2
679	830	856	0:SP3_SP-NON_SP2	B[5a,6]	F	N[6]	3:3:2:1:	4:	4:3:3:	N[5a,6]-3:N[6]-3:O[5a]-2:F-1:	B[5a,6]-4:	B[5a,6]-4:C[6a]-3:C[6]-3:	B[5a,6](N[5a,6]C[5a,6a]C[6])(N[6]C[6a]C[6])(O[5a]C[5a,6a])(F)	F(B[5a,6]N[5a,6]O[5a]N[6])	N[6](B[5a,6]N[5a,6]O[5a]F)(C[6a]C[6a]2)(C[6]C[6]C)	B[5a,6](N[5a,6]C[5a,6a]C[6])(N[6]C[6a]C[6])(O[5a]C[5a,6a])(F){2|C<4>,5|C<3>}	F(B[5a,6]N[5a,6]O[5a]N[6])	N[6](B[5a,6]N[5a,6]O[5a]F)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,5|C<3>}	108.9300	0.000	1	108.9300	0.000	1	108.9300	0.000	1	108.9300	0.000	1	108.5950	0.224	2	108.5950	0.224	2
679	856	893	0:SP3_SP2_SP3	B[5a,6]	N[6]	O	3:3:2:2:	4:3:3:	4:4:	N[5a,6]-3:N[6]-3:O[5a]-2:O-2:	B[5a,6]-4:C[6a]-3:C[6]-3:	B[5a,6]-4:B[5a,6]-4:	B[5a,6](N[5a,6]C[5a,6a]C[6])(N[6]C[6a]C[6])(O[5a]C[5a,6a])(OB[5a,6])	N[6](B[5a,6]N[5a,6]O[5a]O)(C[6a]C[6a]2)(C[6]C[6]C)	O(B[5a,6]N[5a,6]O[5a]N[6])2	B[5a,6](N[5a,6]C[5a,6a]C[6])(N[6]C[6a]C[6])(O[5a]C[5a,6a])(OB[5a,6]){2|C<4>,5|C<3>}	N[6](B[5a,6]N[5a,6]O[5a]O)(C[6a]C[6a]2)(C[6]C[6]C){1|O<2>,2|H<1>,5|C<3>}	O(B[5a,6]N[5a,6]O[5a]N[6])2	105.2185	0.605	2	105.2185	0.366	2	105.2185	0.366	2	105.2185	0.366	2	105.2185	0.366	2	105.2185	0.366	2
679	891	976	5:SP3_SP2_SP3	B[5,5a]	S[5]	O[5]	2:2:2:2:	4:3:	4:4:	O[5a]-2:O[5a]-2:O[5]-2:S[5]-2:	B[5,5a]-4:C[5]-3:	B[5,5a]-4:P[5]-4:	B[5,5a](O[5a]C[5a,6a])2(O[5]P[5])(S[5]C[5])	S[5](B[5,5a]O[5a]2O[5])(C[5]P[5]S)	O[5](B[5,5a]O[5a]2S[5])(P[5]C[5]CC)	B[5,5a](O[5a]C[5a,6a])2(O[5]P[5])(S[5]C[5]){1|S<1>,2|C<3>,2|C<4>}	S[5](B[5,5a]O[5a]2O[5])(C[5]P[5]S){2|C<3>,2|C<4>}	O[5](B[5,5a]O[5a]2S[5])(P[5]C[5]CC){1|S<1>,2|C<3>}	103.2880	0.000	1	103.2880	0.000	1	103.2880	0.000	1	103.2880	0.000	1	103.2880	0.000	1	103.2880	0.000	1
679	893	893	0:SP3_SP3_SP3	B[5a]	O	O	2:2:2:2:	4:4:	4:4:	O[5a]-2:O[5a]-2:O-2:O-2:	B[5a]-4:P-4:	B[5a]-4:P-4:	B[5a](O[5a]C[5a,6a])2(OP)2	O(B[5a]O[5a]2O)(PCCO)	O(B[5a]O[5a]2O)(PCCO)	B[5a](O[5a]C[5a,6a])2(OP)2{2|C<3>}	O(B[5a]O[5a]2O)(PCCO)	O(B[5a]O[5a]2O)(PCCO)	109.1600	0.000	1	109.1600	0.000	1	109.1600	0.000	1	109.1600	0.000	1	109.1600	0.000	1	109.1600	0.000	1
679	893	999	0:SP3_SP3_SP3	B[5,6a]	O	N[5]	3:3:4:2:	4:1:	4:4:1:1:	C[6a,6a]-3:N[5,6a]-3:N[5]-4:O-2:	B[5,6a]-4:H-1:	B[5,6a]-4:C[5]-4:H-1:H-1:	B[5,6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[6a]C[5])(N[5]C[5]HH)(OH)	O(B[5,6a]C[6a,6a]N[5,6a]N[5])(H)	N[5](B[5,6a]C[6a,6a]N[5,6a]O)(C[5]C[5]CH)(H)2	B[5,6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[6a]C[5])(N[5]C[5]HH)(OH){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	O(B[5,6a]C[6a,6a]N[5,6a]N[5])(H)	N[5](B[5,6a]C[6a,6a]N[5,6a]O)(C[5]C[5]CH)(H)2{1|N<2>,1|O<1>,2|C<3>}	108.5580	0.000	1	108.5580	0.000	1	108.8327	0.103	3	108.8327	0.103	3	108.3458	1.017	4	108.3458	1.017	4
679	893	999	0:SP3_SP3_SP3	B[5,6a]	O	N[5]	3:3:4:2:	4:1:	4:4:1:1:	C[6a,6a]-3:N[5,6a]-3:N[5]-4:O-2:	B[5,6a]-4:H-1:	B[5,6a]-4:C[5]-4:H-1:H-1:	B[5,6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[6a]C[5])(N[5]C[5]HH)(OH)	O(B[5,6a]C[6a,6a]N[5,6a]N[5])(H)	N[5](B[5,6a]C[6a,6a]N[5,6a]O)(C[5]C[5]HH)(H)2	B[5,6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[6a]C[5])(N[5]C[5]HH)(OH){1|O<1>,3|C<3>,3|H<1>}	O(B[5,6a]C[6a,6a]N[5,6a]N[5])(H)	N[5](B[5,6a]C[6a,6a]N[5,6a]O)(C[5]C[5]HH)(H)2{1|N<2>,1|O<1>,2|C<3>}	108.9700	0.304	2	108.9700	0.092	2	108.8327	0.103	3	108.8327	0.103	3	108.3458	1.017	4	108.3458	1.017	4
679	893	999	0:SP3_SP3_SP3	B[5,6a]	O	N[5]	3:3:4:2:	4:1:	4:4:4:4:	C[6a,6a]-3:N[5,6a]-3:N[5]-4:O-2:	B[5,6a]-4:H-1:	B[5,6a]-4:C[5]-4:C-4:C-4:	B[5,6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[6a]C[5])(N[5]C[5]CC)(OH)	O(B[5,6a]C[6a,6a]N[5,6a]N[5])(H)	N[5](B[5,6a]C[6a,6a]N[5,6a]O)(C[5]C[5]CH)(CH3)2	B[5,6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[6a]C[5])(N[5]C[5]CC)(OH){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	O(B[5,6a]C[6a,6a]N[5,6a]N[5])(H)	N[5](B[5,6a]C[6a,6a]N[5,6a]O)(C[5]C[5]CH)(CH3)2{1|N<2>,1|O<1>,2|C<3>}	106.8850	0.000	1	106.8850	0.000	1	106.8850	0.000	1	106.8850	0.000	1	108.3458	1.017	4	108.3458	1.017	4
679	924	924	0:SP3_SP-NON_SP-NON	B[5a]	Br	Br	3:3:1:1:	4:	4:	N[5a]-3:N[5a]-3:Br-1:Br-1:	B[5a]-4:	B[5a]-4:	B[5a](N[5a]C[5,5a]C[6a])2(Br)2	Br(B[5a]N[5a]2Br)	Br(B[5a]N[5a]2Br)	B[5a](N[5a]C[5,5a]C[6a])2(Br)2{6|C<3>}	Br(B[5a]N[5a]2Br)	Br(B[5a]N[5a]2Br)	108.8600	0.000	1	108.8600	0.000	1	108.8600	0.000	1	108.8600	0.000	1	108.8600	0.000	1	108.8600	0.000	1
679	933	933	6:SP3_SP2_SP2	B[5,6a]	O[6a]	O[6a]	3:4:2:2:	4:3:	4:3:	C[5,6a]-3:N[5]-4:O[6a]-2:O[6a]-2:	B[5,6a]-4:B[6a]-3:	B[5,6a]-4:B[6a]-3:	B[5,6a](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(O[6a]B[6a])2	O[6a](B[5,6a]C[5,6a]O[6a]N[5])(B[6a]C[6a]O[6a])	O[6a](B[5,6a]C[5,6a]O[6a]N[5])(B[6a]C[6a]O[6a])	B[5,6a](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(O[6a]B[6a])2{1|O<2>,3|H<1>,4|C<3>}	O[6a](B[5,6a]C[5,6a]O[6a]N[5])(B[6a]C[6a]O[6a]){1|B<3>,3|C<4>,4|C<3>}	O[6a](B[5,6a]C[5,6a]O[6a]N[5])(B[6a]C[6a]O[6a]){1|B<3>,3|C<4>,4|C<3>}	113.1027	0.160	3	113.1027	0.026	3	113.1027	0.026	3	113.1027	0.026	3	112.5168	1.390	4	112.5168	1.390	4
679	933	933	6:SP3_SP2_SP2	B[5,6a]	O[6a]	O[6a]	4:2:2:2:	4:3:	4:3:	C[5]-4:O[5]-2:O[6a]-2:O[6a]-2:	B[5,6a]-4:B[6a]-3:	B[5,6a]-4:B[6a]-3:	B[5,6a](C[5]C[5,6a]N[6]H)(O[5]C[5,6a])(O[6a]B[6a])2	O[6a](B[5,6a]O[6a]C[5]O[5])(B[6a]O[6a]O)	O[6a](B[5,6a]O[6a]C[5]O[5])(B[6a]O[6a]O)	B[5,6a](C[5]C[5,6a]N[6]H)(O[5]C[5,6a])(O[6a]B[6a])2{1|H<1>,2|C<3>,2|C<4>,3|O<2>}	O[6a](B[5,6a]O[6a]C[5]O[5])(B[6a]O[6a]O){1|B<3>,1|H<1>,1|N<4>,2|C<3>}	O[6a](B[5,6a]O[6a]C[5]O[5])(B[6a]O[6a]O){1|B<3>,1|H<1>,1|N<4>,2|C<3>}	110.7590	0.000	1	110.7590	0.000	1	110.7590	0.000	1	110.7590	0.000	1	112.5168	1.390	4	112.5168	1.390	4
679	933	976	0:SP3_SP2_SP2	B[5,6a]	O[6a]	O[5]	4:2:2:2:	4:3:	3:4:	C[5]-4:O[5]-2:O[6a]-2:O[6a]-2:	B[5,6a]-4:B[6a]-3:	C[5,6a]-3:B[5,6a]-4:	B[5,6a](C[5]C[5,6a]N[6]H)(O[5]C[5,6a])(O[6a]B[6a])2	O[6a](B[5,6a]O[6a]C[5]O[5])(B[6a]O[6a]O)	O[5](C[5,6a]C[5,6a]C[6a])(B[5,6a]O[6a]2C[5])	B[5,6a](C[5]C[5,6a]N[6]H)(O[5]C[5,6a])(O[6a]B[6a])2{1|H<1>,2|C<3>,2|C<4>,3|O<2>}	O[6a](B[5,6a]O[6a]C[5]O[5])(B[6a]O[6a]O){1|B<3>,1|H<1>,1|N<4>,2|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(B[5,6a]O[6a]2C[5]){1|N<4>,2|B<3>,2|C<3>,2|H<1>}	109.2390	1.170	2	109.2390	1.368	2	109.2390	1.368	2	109.2390	1.368	2	109.2390	1.368	2	109.2390	1.368	2
679	933	999	0:SP3_SP2_SP3	B[5,6a]	O[6a]	N[5]	3:4:2:2:	4:3:	4:4:4:4:	C[5,6a]-3:N[5]-4:O[6a]-2:O[6a]-2:	B[5,6a]-4:B[6a]-3:	B[5,6a]-4:C[5]-4:C-4:C-4:	B[5,6a](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(O[6a]B[6a])2	O[6a](B[5,6a]C[5,6a]O[6a]N[5])(B[6a]C[6a]O[6a])	N[5](B[5,6a]C[5,6a]O[6a]2)(C[5]C[5,6a]HH)(CH3)2	B[5,6a](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(O[6a]B[6a])2{1|O<2>,3|H<1>,4|C<3>}	O[6a](B[5,6a]C[5,6a]O[6a]N[5])(B[6a]C[6a]O[6a]){1|B<3>,3|C<4>,4|C<3>}	N[5](B[5,6a]C[5,6a]O[6a]2)(C[5]C[5,6a]HH)(CH3)2{2|B<3>,2|C<3>}	106.7265	1.223	6	106.7265	1.495	6	106.7265	1.495	6	106.7265	1.495	6	106.7265	1.495	6	106.7265	1.495	6
679	976	976	5:SP3_SP2_SP3	B[5,5a]	O[5]	O[5]	2:2:2:2:	4:4:	4:3:	O[5a]-2:O[5a]-2:O[5]-2:O[5]-2:	B[5,5a]-4:P[5]-4:	B[5,5a]-4:C[5]-3:	B[5,5a](O[5a]C[5a,6a])2(O[5]C[5])(O[5]P[5])	O[5](B[5,5a]O[5a]2O[5])(P[5]C[5]CC)	O[5](B[5,5a]O[5a]2O[5])(C[5]P[5]N)	B[5,5a](O[5a]C[5a,6a])2(O[5]C[5])(O[5]P[5]){1|N<2>,2|C<3>,2|C<4>}	O[5](B[5,5a]O[5a]2O[5])(P[5]C[5]CC){1|N<2>,2|C<3>}	O[5](B[5,5a]O[5a]2O[5])(C[5]P[5]N){2|C<3>,2|C<4>}	105.3335	0.366	2	105.3335	0.134	2	105.3335	0.134	2	105.3335	0.134	2	105.3335	0.134	2	105.3335	0.134	2
679	976	976	5:SP3_SP3_SP3	B[5,5a]	O[5]	O[5]	2:2:2:2:	4:4:	4:4:	O[5a]-2:O[5a]-2:O[5]-2:O[5]-2:	C[5,6]-4:B[5,5a]-4:	B[5,5a]-4:P[5]-4:	B[5,5a](O[5a]C[5a,6a])2(O[5]C[5,6])(O[5]P[5])	O[5](C[5,6]C[6,6a]C[6]P[5])(B[5,5a]O[5a]2O[5])	O[5](B[5,5a]O[5a]2O[5])(P[5]C[5,6]CC)	B[5,5a](O[5a]C[5a,6a])2(O[5]C[5,6])(O[5]P[5]){2|C<4>,4|C<3>}	O[5](C[5,6]C[6,6a]C[6]P[5])(B[5,5a]O[5a]2O[5]){1|O<1>,2|C<4>,5|C<3>}	O[5](B[5,5a]O[5a]2O[5])(P[5]C[5,6]CC){4|C<3>}	105.2690	0.000	1	105.2690	0.000	1	105.2690	0.000	1	104.3170	1.813	2	107.0005	5.232	6	107.0005	5.232	6
679	976	976	5:SP3_SP3_SP3	B[5,5a]	O[5]	O[5]	2:2:2:2:	4:4:	4:4:	O[5a]-2:O[5a]-2:O[5]-2:O[5]-2:	C[5,6]-4:B[5,5a]-4:	C[5,6]-4:B[5,5a]-4:	B[5,5a](O[5a]C[5a,6a])2(O[5]C[5,6])2	O[5](C[5,6]C[5,6]C[6]Rh)(B[5,5a]O[5a]2O[5])	O[5](C[5,6]C[5,6]C[6]Rh)(B[5,5a]O[5a]2O[5])	B[5,5a](O[5a]C[5a,6a])2(O[5]C[5,6])2{1|Rh<8>,2|C<3>,2|C<4>}	O[5](C[5,6]C[5,6]C[6]Rh)(B[5,5a]O[5a]2O[5]){1|H<1>,2|C<3>,2|C<4>}	O[5](C[5,6]C[5,6]C[6]Rh)(B[5,5a]O[5a]2O[5]){1|H<1>,2|C<3>,2|C<4>}	103.3650	0.000	1	103.3650	0.000	1	103.3650	0.000	1	104.3170	1.813	2	107.0005	5.232	6	107.0005	5.232	6
679	976	976	5:SP3_SP3_SP3	B[5,5a]	O[5]	O[5]	3:3:2:2:	4:4:	4:4:	C[5a,6a]-3:N[5a,6]-3:O[5]-2:O[5]-2:	B[5,5a]-4:C[5]-4:	B[5,5a]-4:C[5]-4:	B[5,5a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6])(O[5]C[5])2	O[5](B[5,5a]C[5a,6a]N[5a,6]O[5])(C[5]C[5]CC)	O[5](B[5,5a]C[5a,6a]N[5a,6]O[5])(C[5]C[5]CC)	B[5,5a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6])(O[5]C[5])2{2|H<1>,4|C<3>,4|C<4>}	O[5](B[5,5a]C[5a,6a]N[5a,6]O[5])(C[5]C[5]CC){1|N<3>,2|C<4>,3|C<3>}	O[5](B[5,5a]C[5a,6a]N[5a,6]O[5])(C[5]C[5]CC){1|N<3>,2|C<4>,3|C<3>}	108.6925	0.317	2	108.6925	0.101	2	108.6925	0.101	2	108.1133	1.057	3	107.0005	5.232	6	107.0005	5.232	6
679	976	976	5:SP3_SP3_SP3	B[5,5a]	O[5]	O[5]	3:3:2:2:	4:4:	4:4:	N[5a,6a]-3:N[5a]-3:O[5]-2:O[5]-2:	B[5,5a]-4:C[5]-4:	B[5,5a]-4:C[5]-4:	B[5,5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])(O[5]C[5])2	O[5](B[5,5a]N[5a,6a]N[5a]O[5])(C[5]C[5]CC)	O[5](B[5,5a]N[5a,6a]N[5a]O[5])(C[5]C[5]CC)	B[5,5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])(O[5]C[5])2{1|H<1>,4|C<4>,5|C<3>}	O[5](B[5,5a]N[5a,6a]N[5a]O[5])(C[5]C[5]CC){2|C<4>,4|C<3>}	O[5](B[5,5a]N[5a,6a]N[5a]O[5])(C[5]C[5]CC){2|C<4>,4|C<3>}	106.9550	0.000	1	106.9550	0.000	1	106.9550	0.000	1	108.1133	1.057	3	107.0005	5.232	6	107.0005	5.232	6
679	976	976	5:SP3_SP3_SP3	B[5,5a]	O[5]	O[5]	3:4:2:2:	4:4:	4:4:	N[5a,6a]-3:N[5a]-4:O[5]-2:O[5]-2:	B[5,5a]-4:C[5]-4:	B[5,5a]-4:C[5]-4:	B[5,5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a]H)(O[5]C[5])2	O[5](B[5,5a]N[5a,6a]N[5a]O[5])(C[5]C[5]CC)	O[5](B[5,5a]N[5a,6a]N[5a]O[5])(C[5]C[5]CC)	B[5,5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a]H)(O[5]C[5])2{1|B<3>,1|H<1>,1|N<2>,3|C<3>,4|C<4>}	O[5](B[5,5a]N[5a,6a]N[5a]O[5])(C[5]C[5]CC){1|H<1>,2|C<4>,4|C<3>}	O[5](B[5,5a]N[5a,6a]N[5a]O[5])(C[5]C[5]CC){1|H<1>,2|C<4>,4|C<3>}	109.0290	0.000	1	109.0290	0.000	1	109.0290	0.000	1	109.0290	0.000	1	107.0005	5.232	6	107.0005	5.232	6
679	976	998	0:SP3_SP3_SP3	B[5,5a]	O[5]	N[5a]	3:4:2:2:	4:4:	4:3:3:1:	N[5a,6a]-3:N[5a]-4:O[5]-2:O[5]-2:	B[5,5a]-4:C[5]-4:	B[5,5a]-4:C[5a]-3:C[6a]-3:H-1:	B[5,5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a]H)(O[5]C[5])2	O[5](B[5,5a]N[5a,6a]N[5a]O[5])(C[5]C[5]CC)	N[5a](B[5,5a]N[5a,6a]O[5]2)(C[5a]C[5a,6a]B)(C[6a]C[6a]2)(H)	B[5,5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a]H)(O[5]C[5])2{1|B<3>,1|H<1>,1|N<2>,3|C<3>,4|C<4>}	O[5](B[5,5a]N[5a,6a]N[5a]O[5])(C[5]C[5]CC){1|H<1>,2|C<4>,4|C<3>}	N[5a](B[5,5a]N[5a,6a]O[5]2)(C[5a]C[5a,6a]B)(C[6a]C[6a]2)(H){4|C<3>,4|C<4>}	111.3815	10.076	2	111.3815	101.517	2	111.3815	101.517	2	111.3815	101.517	2	111.3815	101.517	2	111.3815	101.517	2
681	537	727	5:SP2_SP2_SP2	Se[5,5a]	O[5a]	C[5,5a,6]	3:2:2:	3:3:	3:3:3:	C[5,5a,6]-3:O[5a]-2:O[5]-2:	Se[5,5a]-3:C[5a]-3:	Se[5,5a]-3:C[5a,6]-3:C[5,6]-3:	Se[5,5a](C[5,5a,6]C[5a,6]C[5,6])(O[5a]C[5a])(O[5]C[5])	O[5a](Se[5,5a]C[5,5a,6]O[5])(C[5a]C[5a,6]H)	C[5,5a,6](Se[5,5a]O[5a]O[5])(C[5a,6]C[5a]C[6])(C[5,6]C[5]C[6])	Se[5,5a](C[5,5a,6]C[5a,6]C[5,6])(O[5a]C[5a])(O[5]C[5]){2|C<4>,2|H<1>}	O[5a](Se[5,5a]C[5,5a,6]O[5])(C[5a]C[5a,6]H){1|C<4>,2|C<3>}	C[5,5a,6](Se[5,5a]O[5a]O[5])(C[5a,6]C[5a]C[6])(C[5,6]C[5]C[6]){1|C<4>,6|H<1>}	82.7061	0.314	2	82.7061	0.098	2	82.7061	0.098	2	82.7061	0.098	2	82.7061	0.098	2	82.7061	0.098	2
681	537	976	0:SP2_SP2_SP2	Se[5,5a]	O[5a]	O[5]	3:2:2:	3:3:	3:3:	C[5,5a,6]-3:O[5a]-2:O[5]-2:	Se[5,5a]-3:C[5a]-3:	Se[5,5a]-3:C[5]-3:	Se[5,5a](C[5,5a,6]C[5a,6]C[5,6])(O[5a]C[5a])(O[5]C[5])	O[5a](Se[5,5a]C[5,5a,6]O[5])(C[5a]C[5a,6]H)	O[5](Se[5,5a]C[5,5a,6]O[5a])(C[5]C[5,6]H)	Se[5,5a](C[5,5a,6]C[5a,6]C[5,6])(O[5a]C[5a])(O[5]C[5]){2|C<4>,2|H<1>}	O[5a](Se[5,5a]C[5,5a,6]O[5])(C[5a]C[5a,6]H){1|C<4>,2|C<3>}	O[5](Se[5,5a]C[5,5a,6]O[5a])(C[5]C[5,6]H){1|C<4>,2|C<3>}	164.7050	0.313	2	164.7050	0.098	2	164.7050	0.098	2	164.7050	0.098	2	164.7050	0.098	2	164.7050	0.098	2
681	727	976	5:SP2_SP2_SP2	Se[5,5a]	C[5,5a,6]	O[5]	3:2:2:	3:3:3:	3:3:	C[5,5a,6]-3:O[5a]-2:O[5]-2:	Se[5,5a]-3:C[5a,6]-3:C[5,6]-3:	Se[5,5a]-3:C[5]-3:	Se[5,5a](C[5,5a,6]C[5a,6]C[5,6])(O[5a]C[5a])(O[5]C[5])	C[5,5a,6](Se[5,5a]O[5a]O[5])(C[5a,6]C[5a]C[6])(C[5,6]C[5]C[6])	O[5](Se[5,5a]C[5,5a,6]O[5a])(C[5]C[5,6]H)	Se[5,5a](C[5,5a,6]C[5a,6]C[5,6])(O[5a]C[5a])(O[5]C[5]){2|C<4>,2|H<1>}	C[5,5a,6](Se[5,5a]O[5a]O[5])(C[5a,6]C[5a]C[6])(C[5,6]C[5]C[6]){1|C<4>,6|H<1>}	O[5](Se[5,5a]C[5,5a,6]O[5a])(C[5]C[5,6]H){1|C<4>,2|C<3>}	82.0529	0.031	2	82.0529	0.001	2	82.0529	0.001	2	82.0529	0.001	2	82.0529	0.001	2	82.0529	0.001	2
681	813	813	5:SP2_SP2_SP2	Se[5a,5a]	N[5a]	N[5a,5a,6]	3:3:3:	3:3:3:	3:3:3:	N[5a,5a,6]-3:N[5a]-3:N[5a]-3:	Se[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6]-3:Se[5a,5a]-3:	Se[5a,5a](N[5a,5a,6]C[5a,6]2)(N[5a]C[5a]C[6a])2	N[5a](Se[5a,5a]N[5a,5a,6]N[5a])(C[5a]C[5a,6]H)(C[6a]C[6a]2)	N[5a,5a,6](C[5a,6]C[5a]C[6])2(Se[5a,5a]N[5a]2)	Se[5a,5a](N[5a,5a,6]C[5a,6]2)(N[5a]C[5a]C[6a])2{2|H<1>,6|C<3>}	N[5a](Se[5a,5a]N[5a,5a,6]N[5a])(C[5a]C[5a,6]H)(C[6a]C[6a]2){2|C<4>,6|C<3>}	N[5a,5a,6](C[5a,6]C[5a]C[6])2(Se[5a,5a]N[5a]2){3|C<3>,4|H<1>}	78.7882	0.000	1	78.7882	0.000	1	78.7882	0.000	1	78.7882	0.000	1	78.7882	0.000	1	118.1821	3103.759	2
681	813	813	5:SP2_SP2_SP2	Se[5a,5a]	N[5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a,5a,6]-3:N[5a]-3:N[5a]-3:	Se[5a,5a]-3:C[5a]-3:C[6a]-3:	Se[5a,5a]-3:C[5a]-3:C[6a]-3:	Se[5a,5a](N[5a,5a,6]C[5a,6]2)(N[5a]C[5a]C[6a])2	N[5a](Se[5a,5a]N[5a,5a,6]N[5a])(C[5a]C[5a,6]H)(C[6a]C[6a]2)	N[5a](Se[5a,5a]N[5a,5a,6]N[5a])(C[5a]C[5a,6]H)(C[6a]C[6a]2)	Se[5a,5a](N[5a,5a,6]C[5a,6]2)(N[5a]C[5a]C[6a])2{2|H<1>,6|C<3>}	N[5a](Se[5a,5a]N[5a,5a,6]N[5a])(C[5a]C[5a,6]H)(C[6a]C[6a]2){2|C<4>,6|C<3>}	N[5a](Se[5a,5a]N[5a,5a,6]N[5a])(C[5a]C[5a,6]H)(C[6a]C[6a]2){2|C<4>,6|C<3>}	157.5760	0.000	1	157.5760	0.000	1	157.5760	0.000	1	157.5760	0.000	1	157.5760	0.000	1	118.1821	3103.759	2
682	474	486	0:SP-NON_SP3_SP3	Ga[3]	C[5]	C[3,5]	4:4:4:	3:3:3:4:	4:3:3:4:	C[3,5]-4:C[3,5]-4:C[5]-4:	Ga[3]-3:C[5]-3:C[5]-3:C-4:	C[3,5]-4:Ga[3]-3:C[5]-3:C-4:	Ga[3](C[3,5]C[3,5]C[5]C)2(C[5]C[5]2C)	C[5](Ga[3]C[3,5]2)(C[5]C[5]C)2(CH3)	C[3,5](C[3,5]Ga[3]C[5]C)(Ga[3]C[3,5]C[5])(C[5]C[5]C)(CH3)	Ga[3](C[3,5]C[3,5]C[5]C)2(C[5]C[5]2C){3|C<3>,4|C<4>}	C[5](Ga[3]C[3,5]2)(C[5]C[5]C)2(CH3){2|C<3>,4|C<4>}	C[3,5](C[3,5]Ga[3]C[5]C)(Ga[3]C[3,5]C[5])(C[5]C[5]C)(CH3){2|C<3>,3|C<4>}	158.0060	22.910	2	158.0060	524.880	2	158.0060	524.880	2	158.0060	524.880	2	158.0060	524.880	2	158.0060	524.880	2
682	486	486	3:SP-NON_SP3_SP3	Ga[3]	C[3,5]	C[3,5]	4:4:4:	4:3:3:4:	4:3:3:4:	C[3,5]-4:C[3,5]-4:C[5]-4:	C[3,5]-4:Ga[3]-3:C[5]-3:C-4:	C[3,5]-4:Ga[3]-3:C[5]-3:C-4:	Ga[3](C[3,5]C[3,5]C[5]C)2(C[5]C[5]2C)	C[3,5](C[3,5]Ga[3]C[5]C)(Ga[3]C[3,5]C[5])(C[5]C[5]C)(CH3)	C[3,5](C[3,5]Ga[3]C[5]C)(Ga[3]C[3,5]C[5])(C[5]C[5]C)(CH3)	Ga[3](C[3,5]C[3,5]C[5]C)2(C[5]C[5]2C){3|C<3>,4|C<4>}	C[3,5](C[3,5]Ga[3]C[5]C)(Ga[3]C[3,5]C[5])(C[5]C[5]C)(CH3){2|C<3>,3|C<4>}	C[3,5](C[3,5]Ga[3]C[5]C)(Ga[3]C[3,5]C[5])(C[5]C[5]C)(CH3){2|C<3>,3|C<4>}	39.3198	0.000	1	39.3198	0.000	1	39.3198	0.000	1	39.3198	0.000	1	39.3198	0.000	1	39.3198	0.000	1
686	74	74	4:SPD5_SP2_SP2	Ge[4]	N[4]	N[4]	3:3:3:1:1:	3:5:4:	3:5:4:	N[4]-3:N[4]-3:N-3:F-1:F-1:	C[4]-3:Ge[4]-5:C-4:	C[4]-3:Ge[4]-5:C-4:	Ge[4](N[4]C[4]C)2(NSi2)(F)2	N[4](C[4]C[6a]N[4])(Ge[4]N[4]FFN)(CC3)	N[4](C[4]C[6a]N[4])(Ge[4]N[4]FFN)(CC3)	Ge[4](N[4]C[4]C)2(NSi2)(F)2{1|C<3>}	N[4](C[4]C[6a]N[4])(Ge[4]N[4]FFN)(CC3){1|C<4>,2|C<3>}	N[4](C[4]C[6a]N[4])(Ge[4]N[4]FFN)(CC3){1|C<4>,2|C<3>}	65.8622	0.000	1	65.8622	0.000	1	65.8622	0.000	1	65.8622	0.000	1	65.8622	0.000	1	65.8622	0.000	1
686	74	830	0:SPD5_SP-NON_SP2	Ge[4]	N[4]	F	3:3:3:1:1:	3:5:4:	5:	N[4]-3:N[4]-3:N-3:F-1:F-1:	C[4]-3:Ge[4]-5:C-4:	Ge[4]-5:	Ge[4](N[4]C[4]C)2(NSi2)(F)2	N[4](C[4]C[6a]N[4])(Ge[4]N[4]FFN)(CC3)	F(Ge[4]N[4]2FN)	Ge[4](N[4]C[4]C)2(NSi2)(F)2{1|C<3>}	N[4](C[4]C[6a]N[4])(Ge[4]N[4]FFN)(CC3){1|C<4>,2|C<3>}	F(Ge[4]N[4]2FN)	113.6675	30.598	4	113.6675	936.213	4	113.6675	936.213	4	113.6675	936.213	4	113.6675	936.213	4	113.6675	936.213	4
686	74	956	0:SPD5_SP2_SP3	Ge[4]	N[4]	N	3:3:3:1:1:	3:5:4:	5:4:4:	N[4]-3:N[4]-3:N-3:F-1:F-1:	C[4]-3:Ge[4]-5:C-4:	Ge[4]-5:Si-4:Si-4:	Ge[4](N[4]C[4]C)2(NSi2)(F)2	N[4](C[4]C[6a]N[4])(Ge[4]N[4]FFN)(CC3)	N(Ge[4]N[4]2FF)(SiC3)2	Ge[4](N[4]C[4]C)2(NSi2)(F)2{1|C<3>}	N[4](C[4]C[6a]N[4])(Ge[4]N[4]FFN)(CC3){1|C<4>,2|C<3>}	N(Ge[4]N[4]2FF)(SiC3)2	114.2205	12.637	2	114.2205	159.686	2	114.2205	159.686	2	114.2205	159.686	2	114.2205	159.686	2	114.2205	159.686	2
686	226	226	4:SPD5_SP3_SP3	Ge[4,5]	O[4]	O[4]	2:2:3:3:1:	5:5:	5:5:	O[4]-2:O[4]-2:N[5]-3:N[5]-3:Cl-1:	Ge[4,5]-5:Ge[4,5]-5:	Ge[4,5]-5:Ge[4,5]-5:	Ge[4,5](O[4]Ge[4,5])2(N[5]C[5]C)2(Cl)	O[4](Ge[4,5]N[5]2O[4]Cl)2	O[4](Ge[4,5]N[5]2O[4]Cl)2	Ge[4,5](O[4]Ge[4,5])2(N[5]C[5]C)2(Cl){1|Cl<1>,2|C<3>,2|N<3>}	O[4](Ge[4,5]N[5]2O[4]Cl)2{4|C<3>,4|C<4>}	O[4](Ge[4,5]N[5]2O[4]Cl)2{4|C<3>,4|C<4>}	83.2881	0.000	1	83.2881	0.000	1	83.2881	0.000	1	83.2881	0.000	1	83.4389	0.075	4	83.4389	0.075	4
686	226	226	4:SPD5_SP3_SP3	Ge[4,5]	O[4]	O[4]	2:2:3:3:2:	5:5:	5:5:	O[4]-2:O[4]-2:N[5]-3:N[5]-3:O-2:	Ge[4,5]-5:Ge[4,5]-5:	Ge[4,5]-5:Ge[4,5]-5:	Ge[4,5](O[4]Ge[4,5])2(N[5]C[5]C)2(OSi)	O[4](Ge[4,5]N[5]2O[4]O)2	O[4](Ge[4,5]N[5]2O[4]O)2	Ge[4,5](O[4]Ge[4,5])2(N[5]C[5]C)2(OSi){1|O<2>,2|C<3>,2|N<3>}	O[4](Ge[4,5]N[5]2O[4]O)2{4|C<3>,4|C<4>}	O[4](Ge[4,5]N[5]2O[4]O)2{4|C<3>,4|C<4>}	83.1900	0.000	1	83.1900	0.000	1	83.1900	0.000	1	83.1900	0.000	1	83.4389	0.075	4	83.4389	0.075	4
686	226	226	4:SPD5_SP3_SP3	Ge[4,5]	O[4]	O[4]	2:2:3:3:3:	5:5:	5:5:	O[4]-2:O[4]-2:N[5]-3:N[5]-3:N-3:	Ge[4,5]-5:Ge[4,5]-5:	Ge[4,5]-5:Ge[4,5]-5:	Ge[4,5](O[4]Ge[4,5])2(N[5]C[5]C)2(NC[6a]C)	O[4](Ge[4,5]N[5]2O[4]N)2	O[4](Ge[4,5]N[5]2O[4]N)2	Ge[4,5](O[4]Ge[4,5])2(N[5]C[5]C)2(NC[6a]C){2|C<3>,3|N<3>}	O[4](Ge[4,5]N[5]2O[4]N)2{4|C<3>,4|C<4>}	O[4](Ge[4,5]N[5]2O[4]N)2{4|C<3>,4|C<4>}	83.4657	0.000	1	83.4657	0.000	1	83.4657	0.000	1	83.4657	0.000	1	83.4389	0.075	4	83.4389	0.075	4
686	226	226	4:SPD5_SP3_SP3	Ge[4,5]	O[4]	O[4]	3:2:2:3:3:	5:5:	5:5:	N[5a]-3:O[4]-2:O[4]-2:N[5]-3:N[5]-3:	Ge[4,5]-5:Ge[4,5]-5:	Ge[4,5]-5:Ge[4,5]-5:	Ge[4,5](N[5a]C[5a]2)(O[4]Ge[4,5])2(N[5]C[5]C)2	O[4](Ge[4,5]N[5a]N[5]2O[4])2	O[4](Ge[4,5]N[5a]N[5]2O[4])2	Ge[4,5](N[5a]C[5a]2)(O[4]Ge[4,5])2(N[5]C[5]C)2{2|H<1>,3|N<3>,4|C<3>}	O[4](Ge[4,5]N[5a]N[5]2O[4])2{4|C<4>,8|C<3>}	O[4](Ge[4,5]N[5a]N[5]2O[4])2{4|C<4>,8|C<3>}	83.8116	0.000	1	83.8116	0.000	1	83.8116	0.000	1	83.8116	0.000	1	83.4389	0.075	4	83.4389	0.075	4
686	226	542	0:SPD5_SP2_SP3	Ge[4,5]	O[4]	N[5]	2:2:3:3:1:	5:5:	5:3:4:	O[4]-2:O[4]-2:N[5]-3:N[5]-3:Cl-1:	Ge[4,5]-5:Ge[4,5]-5:	Ge[4,5]-5:C[5]-3:C-4:	Ge[4,5](O[4]Ge[4,5])2(N[5]C[5]C)2(Cl)	O[4](Ge[4,5]N[5]2O[4]Cl)2	N[5](Ge[4,5]N[5]O[4]2Cl)(C[5]C[5]C)(CCHH)	Ge[4,5](O[4]Ge[4,5])2(N[5]C[5]C)2(Cl){1|Cl<1>,2|C<3>,2|N<3>}	O[4](Ge[4,5]N[5]2O[4]Cl)2{4|C<3>,4|C<4>}	N[5](Ge[4,5]N[5]O[4]2Cl)(C[5]C[5]C)(CCHH){1|Ge<5>,1|C<3>,1|C<4>}	123.2666	36.082	4	123.2666	1301.912	4	123.2666	1301.912	4	123.2666	1301.912	4	121.7382	1025.561	16	121.7382	1025.561	16
686	226	542	0:SPD5_SP2_SP3	Ge[4,5]	O[4]	N[5]	2:2:3:3:2:	5:5:	5:3:4:	O[4]-2:O[4]-2:N[5]-3:N[5]-3:O-2:	Ge[4,5]-5:Ge[4,5]-5:	Ge[4,5]-5:C[5]-3:C-4:	Ge[4,5](O[4]Ge[4,5])2(N[5]C[5]C)2(OSi)	O[4](Ge[4,5]N[5]2O[4]O)2	N[5](Ge[4,5]N[5]O[4]2O)(C[5]C[5]C)(CCHH)	Ge[4,5](O[4]Ge[4,5])2(N[5]C[5]C)2(OSi){1|O<2>,2|C<3>,2|N<3>}	O[4](Ge[4,5]N[5]2O[4]O)2{4|C<3>,4|C<4>}	N[5](Ge[4,5]N[5]O[4]2O)(C[5]C[5]C)(CCHH){1|Ge<5>,1|C<3>,1|C<4>}	121.4141	35.475	4	121.4141	1258.443	4	121.4141	1258.443	4	121.4141	1258.443	4	121.7382	1025.561	16	121.7382	1025.561	16
686	226	542	0:SPD5_SP2_SP3	Ge[4,5]	O[4]	N[5]	2:2:3:3:3:	5:5:	5:3:4:	O[4]-2:O[4]-2:N[5]-3:N[5]-3:N-3:	Ge[4,5]-5:Ge[4,5]-5:	Ge[4,5]-5:C[5]-3:C-4:	Ge[4,5](O[4]Ge[4,5])2(N[5]C[5]C)2(NC[6a]C)	O[4](Ge[4,5]N[5]2O[4]N)2	N[5](Ge[4,5]N[5]O[4]2N)(C[5]C[5]C)(CCHH)	Ge[4,5](O[4]Ge[4,5])2(N[5]C[5]C)2(NC[6a]C){2|C<3>,3|N<3>}	O[4](Ge[4,5]N[5]2O[4]N)2{4|C<3>,4|C<4>}	N[5](Ge[4,5]N[5]O[4]2N)(C[5]C[5]C)(CCHH){1|Ge<5>,1|C<3>,1|C<4>}	119.6401	35.118	4	119.6401	1233.287	4	119.6401	1233.287	4	119.6401	1233.287	4	121.7382	1025.561	16	121.7382	1025.561	16
686	226	542	0:SPD5_SP2_SP3	Ge[4,5]	O[4]	N[5]	3:2:2:3:3:	5:5:	5:3:4:	N[5a]-3:O[4]-2:O[4]-2:N[5]-3:N[5]-3:	Ge[4,5]-5:Ge[4,5]-5:	Ge[4,5]-5:C[5]-3:C-4:	Ge[4,5](N[5a]C[5a]2)(O[4]Ge[4,5])2(N[5]C[5]C)2	O[4](Ge[4,5]N[5a]N[5]2O[4])2	N[5](Ge[4,5]N[5a]N[5]O[4]2)(C[5]C[5]C)(CCHH)	Ge[4,5](N[5a]C[5a]2)(O[4]Ge[4,5])2(N[5]C[5]C)2{2|H<1>,3|N<3>,4|C<3>}	O[4](Ge[4,5]N[5a]N[5]2O[4])2{4|C<4>,8|C<3>}	N[5](Ge[4,5]N[5a]N[5]O[4]2)(C[5]C[5]C)(CCHH){1|Ge<5>,1|C<4>,3|C<3>}	122.6319	36.386	4	122.6319	1323.976	4	122.6319	1323.976	4	122.6319	1323.976	4	121.7382	1025.561	16	121.7382	1025.561	16
686	226	790	0:SPD5_SP-NON_SP3	Ge[4,5]	O[4]	Cl	2:2:3:3:1:	5:5:	5:	O[4]-2:O[4]-2:N[5]-3:N[5]-3:Cl-1:	Ge[4,5]-5:Ge[4,5]-5:	Ge[4,5]-5:	Ge[4,5](O[4]Ge[4,5])2(N[5]C[5]C)2(Cl)	O[4](Ge[4,5]N[5]2O[4]Cl)2	Cl(Ge[4,5]N[5]2O[4]2)	Ge[4,5](O[4]Ge[4,5])2(N[5]C[5]C)2(Cl){1|Cl<1>,2|C<3>,2|N<3>}	O[4](Ge[4,5]N[5]2O[4]Cl)2{4|C<3>,4|C<4>}	Cl(Ge[4,5]N[5]2O[4]2)	104.5461	8.243	2	104.5461	67.953	2	104.5461	67.953	2	104.5461	67.953	2	104.5461	67.953	2	104.5461	67.953	2
686	226	813	0:SPD5_SP2_SP3	Ge[4,5]	O[4]	N[5a]	3:2:2:3:3:	5:5:	5:3:3:	N[5a]-3:O[4]-2:O[4]-2:N[5]-3:N[5]-3:	Ge[4,5]-5:Ge[4,5]-5:	Ge[4,5]-5:C[5a]-3:C[5a]-3:	Ge[4,5](N[5a]C[5a]2)(O[4]Ge[4,5])2(N[5]C[5]C)2	O[4](Ge[4,5]N[5a]N[5]2O[4])2	N[5a](Ge[4,5]N[5]2O[4]2)(C[5a]C[5a]H)2	Ge[4,5](N[5a]C[5a]2)(O[4]Ge[4,5])2(N[5]C[5]C)2{2|H<1>,3|N<3>,4|C<3>}	O[4](Ge[4,5]N[5a]N[5]2O[4])2{4|C<4>,8|C<3>}	N[5a](Ge[4,5]N[5]2O[4]2)(C[5a]C[5a]H)2{1|Ge<5>,2|C<3>,2|C<4>,2|H<1>}	106.2627	12.690	2	106.2627	161.040	2	106.2627	161.040	2	106.2627	161.040	2	106.2627	161.040	2	106.2627	161.040	2
686	226	893	0:SPD5_SP3_SP3	Ge[4,5]	O[4]	O	2:2:3:3:2:	5:5:	5:4:	O[4]-2:O[4]-2:N[5]-3:N[5]-3:O-2:	Ge[4,5]-5:Ge[4,5]-5:	Ge[4,5]-5:Si-4:	Ge[4,5](O[4]Ge[4,5])2(N[5]C[5]C)2(OSi)	O[4](Ge[4,5]N[5]2O[4]O)2	O(Ge[4,5]N[5]2O[4]2)(SiC3)	Ge[4,5](O[4]Ge[4,5])2(N[5]C[5]C)2(OSi){1|O<2>,2|C<3>,2|N<3>}	O[4](Ge[4,5]N[5]2O[4]O)2{4|C<3>,4|C<4>}	O(Ge[4,5]N[5]2O[4]2)(SiC3)	108.6135	8.971	2	108.6135	80.480	2	108.6135	80.480	2	108.6135	80.480	2	108.6135	80.480	2	108.6135	80.480	2
686	226	956	0:SPD5_SP2_SP3	Ge[4,5]	O[4]	N	2:2:3:3:3:	5:5:	5:3:4:	O[4]-2:O[4]-2:N[5]-3:N[5]-3:N-3:	Ge[4,5]-5:Ge[4,5]-5:	Ge[4,5]-5:C[6a]-3:C-4:	Ge[4,5](O[4]Ge[4,5])2(N[5]C[5]C)2(NC[6a]C)	O[4](Ge[4,5]N[5]2O[4]N)2	N(Ge[4,5]N[5]2O[4]2)(C[6a]C[6a]2)(CH3)	Ge[4,5](O[4]Ge[4,5])2(N[5]C[5]C)2(NC[6a]C){2|C<3>,3|N<3>}	O[4](Ge[4,5]N[5]2O[4]N)2{4|C<3>,4|C<4>}	N(Ge[4,5]N[5]2O[4]2)(C[6a]C[6a]2)(CH3)	106.1527	10.583	2	106.1527	111.998	2	106.1527	111.998	2	106.1527	111.998	2	106.1527	111.998	2	106.1527	111.998	2
686	262	262	4:SPD5_SP1_SP1	Ge[4,4,4x5,5x6]	Ge[4,5,5,6,6]	Ge[4,5,5,6,6]	3:3:2:2:4:	5:5:	5:5:	Ge[3,4,5,5,3x6]-3:Ge[3,4,5,5,3x6]-3:Ge[4,5,5,6,6]-2:Ge[4,5,5,6,6]-2:Si-4:	Ge[4,4,4x5,5x6]-5:Ge[4,4,4x5,5x6]-5:	Ge[4,4,4x5,5x6]-5:Ge[4,4,4x5,5x6]-5:	Ge[4,4,4x5,5x6](Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6])2(Ge[4,5,5,6,6]Ge[4,4,4x5,5x6])2(SiSi3)	Ge[4,5,5,6,6](Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]2Ge[4,5,5,6,6]Si)2	Ge[4,5,5,6,6](Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]2Ge[4,5,5,6,6]Si)2	Ge[4,4,4x5,5x6](Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6])2(Ge[4,5,5,6,6]Ge[4,4,4x5,5x6])2(SiSi3){2|Si<4>}	Ge[4,5,5,6,6](Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]2Ge[4,5,5,6,6]Si)2{1|Ge<5>}	Ge[4,5,5,6,6](Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]2Ge[4,5,5,6,6]Si)2{1|Ge<5>}	74.8373	1.951	4	74.8373	3.808	4	74.8373	3.808	4	74.8373	3.808	4	72.8530	22.543	5	72.8530	22.543	5
686	262	262	4:SPD5_SP1_SP1	Ge[4,4,4x5,5x6]	Ge[4,5,5,6,6]	Ge[4,5,5,6,6]	5:3:3:2:2:	5:4:	5:4:	Ge[4,4,4x5,5x6]-5:Ge[3,4,5,5,3x6]-3:Ge[3,4,5,5,3x6]-3:Ge[4,5,5,6,6]-2:Ge[4,5,5,6,6]-2:	Ge[4,4,4x5,5x6]-5:Ge[4,4,4x5,5x6]-4:	Ge[4,4,4x5,5x6]-5:Ge[4,4,4x5,5x6]-4:	Ge[4,4,4x5,5x6](Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]2Ge[4,5,5,6,6]2)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6])2(Ge[4,5,5,6,6]Ge[4,4,4x5,5x6])2	Ge[4,5,5,6,6](Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]2Ge[4,4,4x5,5x6]Ge[4,5,5,6,6])(Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]2Ge[4,5,5,6,6])	Ge[4,5,5,6,6](Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]2Ge[4,4,4x5,5x6]Ge[4,5,5,6,6])(Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]2Ge[4,5,5,6,6])	Ge[4,4,4x5,5x6](Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]2Ge[4,5,5,6,6]2)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6])2(Ge[4,5,5,6,6]Ge[4,4,4x5,5x6])2{2|Ge<3>,2|Ge<4>}	Ge[4,5,5,6,6](Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]2Ge[4,4,4x5,5x6]Ge[4,5,5,6,6])(Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]2Ge[4,5,5,6,6]){1|Ge<4>,2|Ge<2>,2|Ge<3>}	Ge[4,5,5,6,6](Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]2Ge[4,4,4x5,5x6]Ge[4,5,5,6,6])(Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]2Ge[4,5,5,6,6]){1|Ge<4>,2|Ge<2>,2|Ge<3>}	64.9158	0.000	1	64.9158	0.000	1	64.9158	0.000	1	64.9158	0.000	1	72.8530	22.543	5	72.8530	22.543	5
686	262	686	4:SPD5_SP1_SPD5	Ge[4,4,4x5,5x6]	Ge[4,5,5,6,6]	Ge[4,4,4x5,5x6]	5:3:3:2:2:	5:4:	5:3:3:2:2:	Ge[4,4,4x5,5x6]-5:Ge[3,4,5,5,3x6]-3:Ge[3,4,5,5,3x6]-3:Ge[4,5,5,6,6]-2:Ge[4,5,5,6,6]-2:	Ge[4,4,4x5,5x6]-5:Ge[4,4,4x5,5x6]-4:	Ge[4,4,4x5,5x6]-5:Ge[3,4,5,5,3x6]-3:Ge[3,4,5,5,3x6]-3:Ge[4,5,5,6,6]-2:Ge[4,5,5,6,6]-2:	Ge[4,4,4x5,5x6](Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]2Ge[4,5,5,6,6]2)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6])2(Ge[4,5,5,6,6]Ge[4,4,4x5,5x6])2	Ge[4,5,5,6,6](Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]2Ge[4,4,4x5,5x6]Ge[4,5,5,6,6])(Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]2Ge[4,5,5,6,6])	Ge[4,4,4x5,5x6](Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]2Ge[4,5,5,6,6]2)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6])2(Ge[4,5,5,6,6]Ge[4,4,4x5,5x6])2	Ge[4,4,4x5,5x6](Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]2Ge[4,5,5,6,6]2)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6])2(Ge[4,5,5,6,6]Ge[4,4,4x5,5x6])2{2|Ge<3>,2|Ge<4>}	Ge[4,5,5,6,6](Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]2Ge[4,4,4x5,5x6]Ge[4,5,5,6,6])(Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]2Ge[4,5,5,6,6]){1|Ge<4>,2|Ge<2>,2|Ge<3>}	Ge[4,4,4x5,5x6](Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]2Ge[4,5,5,6,6]2)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6])2(Ge[4,5,5,6,6]Ge[4,4,4x5,5x6])2{2|Ge<3>,2|Ge<4>}	107.7890	0.000	1	107.7890	0.000	1	107.7890	0.000	1	107.7890	0.000	1	107.7890	0.000	1	107.7890	0.000	1
686	262	686	6:SPD5_SP1_SPD5	Ge[4,4,4x5,5x6]	Ge[4,5,5,6,6]	Ge[4,4,4x5,5x6]	5:3:3:2:2:	5:4:	5:3:3:2:2:	Ge[4,4,4x5,5x6]-5:Ge[3,4,5,5,3x6]-3:Ge[3,4,5,5,3x6]-3:Ge[4,5,5,6,6]-2:Ge[4,5,5,6,6]-2:	Ge[4,4,4x5,5x6]-5:Ge[4,4,4x5,5x6]-4:	Ge[4,4,4x5,5x6]-5:Ge[3,4,5,5,3x6]-3:Ge[3,4,5,5,3x6]-3:Ge[4,5,5,6,6]-2:Ge[4,5,5,6,6]-2:	Ge[4,4,4x5,5x6](Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]2Ge[4,5,5,6,6]2)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6])2(Ge[4,5,5,6,6]Ge[4,4,4x5,5x6])2	Ge[4,5,5,6,6](Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]2Ge[4,4,4x5,5x6]Ge[4,5,5,6,6])(Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]2Ge[4,5,5,6,6])	Ge[4,4,4x5,5x6](Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]2Ge[4,5,5,6,6]2)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6])2(Ge[4,5,5,6,6]Ge[4,4,4x5,5x6])2	Ge[4,4,4x5,5x6](Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]2Ge[4,5,5,6,6]2)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6])2(Ge[4,5,5,6,6]Ge[4,4,4x5,5x6])2{2|Ge<3>,2|Ge<4>}	Ge[4,5,5,6,6](Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]2Ge[4,4,4x5,5x6]Ge[4,5,5,6,6])(Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]2Ge[4,5,5,6,6]){1|Ge<4>,2|Ge<2>,2|Ge<3>}	Ge[4,4,4x5,5x6](Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]2Ge[4,5,5,6,6]2)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6])2(Ge[4,5,5,6,6]Ge[4,4,4x5,5x6])2{2|Ge<3>,2|Ge<4>}	108.2260	0.000	1	108.2260	0.000	1	108.2260	0.000	1	108.2260	0.000	1	108.2260	0.000	1	108.2260	0.000	1
686	262	880	0:SPD5_SP1_SP3	Ge[3x4,4x5,4x6]	Ge[4,5,5,6,6]	Si	3:3:3:2:4:	5:5:	5:4:4:4:	Ge[3,4,4,5,3x6]-3:Ge[3,4,4,5,5,6]-3:Ge[3,4,3x5,6,6]-3:Ge[4,5,5,6,6]-2:Si-4:	Ge[3,4,4,3x5,4x6]-5:Ge[3x4,4x5,4x6]-5:	Ge[3x4,4x5,4x6]-5:Si-4:Si-4:Si-4:	Ge[3x4,4x5,4x6](Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6])(Ge[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[4,5,5,6,6]Ge[3,4,4,3x5,4x6])(SiSi3)	Ge[4,5,5,6,6](Ge[3,4,4,3x5,4x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,5,6]Ge[3,4,5,5,3x6]C)(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6]Si)	Si(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6])(SiC3)3	Ge[3x4,4x5,4x6](Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6])(Ge[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[4,5,5,6,6]Ge[3,4,4,3x5,4x6])(SiSi3){2|Si<4>,1|C<4>}	Ge[4,5,5,6,6](Ge[3,4,4,3x5,4x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,5,6]Ge[3,4,5,5,3x6]C)(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6]Si){1|Ge<4>,2|Si<4>}	Si(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6])(SiC3)3	123.2570	1.025	2	123.2570	1.051	2	119.9307	47.420	4	119.9307	47.420	4	119.9307	47.420	4	116.6116	26.206	12
686	262	880	0:SPD5_SP1_SP3	Ge[3x4,4x5,4x6]	Ge[4,5,5,6,6]	Si	3:3:3:2:4:	5:5:	5:4:4:4:	Ge[3,4,4,5,3x6]-3:Ge[3,4,4,5,5,6]-3:Ge[3,4,3x5,6,6]-3:Ge[4,5,5,6,6]-2:Si-4:	Ge[3,4,4,3x5,4x6]-5:Ge[3x4,4x5,4x6]-5:	Ge[3x4,4x5,4x6]-5:Si-4:Si-4:Si-4:	Ge[3x4,4x5,4x6](Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6])(Ge[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[4,5,5,6,6]Ge[3,4,4,3x5,4x6])(SiSi3)	Ge[4,5,5,6,6](Ge[3,4,4,3x5,4x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,5,6]Ge[3,4,5,5,3x6]Si)(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6]Si)	Si(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6])(SiC3)3	Ge[3x4,4x5,4x6](Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6])(Ge[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[4,5,5,6,6]Ge[3,4,4,3x5,4x6])(SiSi3){2|Si<4>}	Ge[4,5,5,6,6](Ge[3,4,4,3x5,4x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,5,6]Ge[3,4,5,5,3x6]Si)(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6]Si){1|Ge<5>}	Si(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6])(SiC3)3	116.6045	9.846	2	116.6045	96.953	2	119.9307	47.420	4	119.9307	47.420	4	119.9307	47.420	4	116.6116	26.206	12
686	262	880	0:SPD5_SP1_SP3	Ge[4,4,4x5,5x6]	Ge[4,5,5,6,6]	Si	3:3:2:2:4:	5:5:	5:4:4:4:	Ge[3,4,5,5,3x6]-3:Ge[3,4,5,5,3x6]-3:Ge[4,5,5,6,6]-2:Ge[4,5,5,6,6]-2:Si-4:	Ge[4,4,4x5,5x6]-5:Ge[4,4,4x5,5x6]-5:	Ge[4,4,4x5,5x6]-5:Si-4:Si-4:Si-4:	Ge[4,4,4x5,5x6](Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6])2(Ge[4,5,5,6,6]Ge[4,4,4x5,5x6])2(SiSi3)	Ge[4,5,5,6,6](Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]2Ge[4,5,5,6,6]Si)2	Si(Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]2Ge[4,5,5,6,6]2)(SiC3)3	Ge[4,4,4x5,5x6](Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6])2(Ge[4,5,5,6,6]Ge[4,4,4x5,5x6])2(SiSi3){2|Si<4>}	Ge[4,5,5,6,6](Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]2Ge[4,5,5,6,6]Si)2{1|Ge<5>}	Si(Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]2Ge[4,5,5,6,6]2)(SiC3)3	114.9520	3.379	8	114.9520	11.415	8	114.9520	11.415	8	114.9520	11.415	8	114.9520	11.415	8	116.6116	26.206	12
686	262	938	4:SPD5_SP1_SP2	Ge[3x4,4x5,4x6]	Ge[4,5,5,6,6]	Ge[3,4,4,5,5,6]	3:3:3:2:4:	5:5:	4:5:5:	Ge[3,4,4,5,3x6]-3:Ge[3,4,4,5,5,6]-3:Ge[3,4,3x5,6,6]-3:Ge[4,5,5,6,6]-2:Si-4:	Ge[3,4,4,3x5,4x6]-5:Ge[3x4,4x5,4x6]-5:	Ge[3,3,4,4,5,5,6,6]-4:Ge[3,4,4,3x5,4x6]-5:Ge[3x4,4x5,4x6]-5:	Ge[3x4,4x5,4x6](Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6])(Ge[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[4,5,5,6,6]Ge[3,4,4,3x5,4x6])(SiSi3)	Ge[4,5,5,6,6](Ge[3,4,4,3x5,4x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,5,6]Ge[3,4,5,5,3x6]Si)(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6]Si)	Ge[3,4,4,5,5,6](Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,3x6])(Ge[3,4,4,3x5,4x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]Si)(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[4,5,5,6,6]Si)	Ge[3x4,4x5,4x6](Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6])(Ge[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[4,5,5,6,6]Ge[3,4,4,3x5,4x6])(SiSi3){2|Si<4>}	Ge[4,5,5,6,6](Ge[3,4,4,3x5,4x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,5,6]Ge[3,4,5,5,3x6]Si)(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6]Si){1|Ge<5>}	Ge[3,4,4,5,5,6](Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,3x6])(Ge[3,4,4,3x5,4x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]Si)(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[4,5,5,6,6]Si){1|Si<4>}	77.8141	0.858	2	77.8141	0.736	2	77.8141	0.736	2	77.8141	0.736	2	74.6402	13.717	4	74.6402	13.717	4
686	262	938	4:SPD5_SP1_SP2	Ge[3x4,4x5,4x6]	Ge[4,5,5,6,6]	Ge[3,4,4,5,5,6]	3:3:3:2:4:	5:5:	5:5:5:	Ge[3,4,4,5,3x6]-3:Ge[3,4,4,5,5,6]-3:Ge[3,4,3x5,6,6]-3:Ge[4,5,5,6,6]-2:Si-4:	Ge[3,4,4,3x5,4x6]-5:Ge[3x4,4x5,4x6]-5:	Ge[3,3,4,4,5,5,6,6]-5:Ge[3,4,4,3x5,4x6]-5:Ge[3x4,4x5,4x6]-5:	Ge[3x4,4x5,4x6](Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6])(Ge[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[4,5,5,6,6]Ge[3,4,4,3x5,4x6])(SiSi3)	Ge[4,5,5,6,6](Ge[3,4,4,3x5,4x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,5,6]Ge[3,4,5,5,3x6]C)(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6]Si)	Ge[3,4,4,5,5,6](Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,3x6]Si)(Ge[3,4,4,3x5,4x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]C)(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[4,5,5,6,6]Si)	Ge[3x4,4x5,4x6](Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6])(Ge[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[4,5,5,6,6]Ge[3,4,4,3x5,4x6])(SiSi3){2|Si<4>,1|C<4>}	Ge[4,5,5,6,6](Ge[3,4,4,3x5,4x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,5,6]Ge[3,4,5,5,3x6]C)(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6]Si){1|Ge<4>,2|Si<4>}	Ge[3,4,4,5,5,6](Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,3x6]Si)(Ge[3,4,4,3x5,4x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]C)(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[4,5,5,6,6]Si){1|Si<4>}	71.4664	0.348	2	71.4664	0.121	2	71.4664	0.121	2	71.4664	0.121	2	74.6402	13.717	4	74.6402	13.717	4
686	262	938	5:SPD5_SP1_SP2	Ge[3x4,4x5,4x6]	Ge[4,5,5,6,6]	Ge[3,4,3x5,6,6]	3:3:3:2:4:	5:5:	4:5:4:	Ge[3,4,4,5,3x6]-3:Ge[3,4,4,5,5,6]-3:Ge[3,4,3x5,6,6]-3:Ge[4,5,5,6,6]-2:Si-4:	Ge[3,4,4,3x5,4x6]-5:Ge[3x4,4x5,4x6]-5:	Ge[3,3,4,4,5,3x6]-4:Ge[3x4,4x5,4x6]-5:Ge[3,4,5,5,3x6]-4:	Ge[3x4,4x5,4x6](Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6])(Ge[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[4,5,5,6,6]Ge[3,4,4,3x5,4x6])(SiSi3)	Ge[4,5,5,6,6](Ge[3,4,4,3x5,4x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,5,6]Ge[3,4,5,5,3x6]C)(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6]Si)	Ge[3,4,3x5,6,6](Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[3x4,4x5,4x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6]Si)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Si)	Ge[3x4,4x5,4x6](Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6])(Ge[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[4,5,5,6,6]Ge[3,4,4,3x5,4x6])(SiSi3){2|Si<4>,1|C<4>}	Ge[4,5,5,6,6](Ge[3,4,4,3x5,4x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,5,6]Ge[3,4,5,5,3x6]C)(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6]Si){1|Ge<4>,2|Si<4>}	Ge[3,4,3x5,6,6](Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[3x4,4x5,4x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6]Si)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Si){1|Si<4>,1|C<4>}	76.7179	0.000	1	76.7179	0.000	1	76.7179	0.000	1	76.7179	0.000	1	70.7859	70.377	2	88.0522	648.605	11
686	262	938	5:SPD5_SP1_SP2	Ge[3x4,4x5,4x6]	Ge[4,5,5,6,6]	Ge[3,4,3x5,6,6]	3:3:3:2:4:	5:5:	5:5:3:	Ge[3,4,4,5,3x6]-3:Ge[3,4,4,5,5,6]-3:Ge[3,4,3x5,6,6]-3:Ge[4,5,5,6,6]-2:Si-4:	Ge[3,4,4,3x5,4x6]-5:Ge[3x4,4x5,4x6]-5:	Ge[3,3,4,4,5,3x6]-5:Ge[3x4,4x5,4x6]-5:Ge[3,4,5,5,3x6]-3:	Ge[3x4,4x5,4x6](Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6])(Ge[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[4,5,5,6,6]Ge[3,4,4,3x5,4x6])(SiSi3)	Ge[4,5,5,6,6](Ge[3,4,4,3x5,4x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,5,6]Ge[3,4,5,5,3x6]Si)(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6]Si)	Ge[3,4,3x5,6,6](Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,5,5,3x6]Si)(Ge[3x4,4x5,4x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6]Si)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6])	Ge[3x4,4x5,4x6](Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6])(Ge[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[4,5,5,6,6]Ge[3,4,4,3x5,4x6])(SiSi3){2|Si<4>}	Ge[4,5,5,6,6](Ge[3,4,4,3x5,4x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,5,6]Ge[3,4,5,5,3x6]Si)(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6]Si){1|Ge<5>}	Ge[3,4,3x5,6,6](Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,5,5,3x6]Si)(Ge[3x4,4x5,4x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6]Si)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]){1|Si<4>}	64.8539	0.000	1	64.8539	0.000	1	64.8539	0.000	1	64.8539	0.000	1	70.7859	70.377	2	88.0522	648.605	11
686	262	938	5:SPD5_SP1_SP2	Ge[3x4,4x5,4x6]	Ge[4,5,5,6,6]	Ge[3,4,4,5,3x6]	3:3:3:2:4:	5:5:	5:4:5:	Ge[3,4,4,5,3x6]-3:Ge[3,4,4,5,5,6]-3:Ge[3,4,3x5,6,6]-3:Ge[4,5,5,6,6]-2:Si-4:	Ge[3,4,4,3x5,4x6]-5:Ge[3x4,4x5,4x6]-5:	Ge[3,3,4,4,5,5,6,6]-5:Ge[3,3,4,4,5,3x6]-4:Ge[3x4,4x5,4x6]-5:	Ge[3x4,4x5,4x6](Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6])(Ge[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[4,5,5,6,6]Ge[3,4,4,3x5,4x6])(SiSi3)	Ge[4,5,5,6,6](Ge[3,4,4,3x5,4x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,5,6]Ge[3,4,5,5,3x6]C)(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6]Si)	Ge[3,4,4,5,3x6](Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,5,6]Si)(Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6])(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6]Si)	Ge[3x4,4x5,4x6](Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6])(Ge[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[4,5,5,6,6]Ge[3,4,4,3x5,4x6])(SiSi3){2|Si<4>,1|C<4>}	Ge[4,5,5,6,6](Ge[3,4,4,3x5,4x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,5,6]Ge[3,4,5,5,3x6]C)(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6]Si){1|Ge<4>,2|Si<4>}	Ge[3,4,4,5,3x6](Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,5,6]Si)(Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6])(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6]Si){1|Si<4>,1|C<4>}	113.8120	0.000	1	113.8120	0.000	1	113.8120	0.000	1	113.8120	0.000	1	113.8120	0.000	1	88.0522	648.605	11
686	262	938	5:SPD5_SP1_SP2	Ge[4,4,4x5,5x6]	Ge[4,5,5,6,6]	Ge[3,4,5,5,3x6]	3:3:2:2:4:	5:5:	5:3:5:	Ge[3,4,5,5,3x6]-3:Ge[3,4,5,5,3x6]-3:Ge[4,5,5,6,6]-2:Ge[4,5,5,6,6]-2:Si-4:	Ge[4,4,4x5,5x6]-5:Ge[4,4,4x5,5x6]-5:	Ge[4,4,4x5,5x6]-5:Ge[3,4,5,5,3x6]-3:Ge[3,3,4,4,4x6]-5:	Ge[4,4,4x5,5x6](Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6])2(Ge[4,5,5,6,6]Ge[4,4,4x5,5x6])2(SiSi3)	Ge[4,5,5,6,6](Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]2Ge[4,5,5,6,6]Si)2	Ge[3,4,5,5,3x6](Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]2Si)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[4,4,4x5,5x6])(Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6]3Si)	Ge[4,4,4x5,5x6](Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6])2(Ge[4,5,5,6,6]Ge[4,4,4x5,5x6])2(SiSi3){2|Si<4>}	Ge[4,5,5,6,6](Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]2Ge[4,5,5,6,6]Si)2{1|Ge<5>}	Ge[3,4,5,5,3x6](Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]2Si)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[4,4,4x5,5x6])(Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6]3Si){1|Si<4>}	89.6652	28.068	6	89.6652	787.798	6	89.6652	787.798	6	89.6652	787.798	6	89.1488	735.176	8	88.0522	648.605	11
686	262	938	5:SPD5_SP1_SP2	Ge[4,4,4x5,5x6]	Ge[4,5,5,6,6]	Ge[3,4,5,5,3x6]	5:3:3:2:2:	5:4:	5:3:4:	Ge[4,4,4x5,5x6]-5:Ge[3,4,5,5,3x6]-3:Ge[3,4,5,5,3x6]-3:Ge[4,5,5,6,6]-2:Ge[4,5,5,6,6]-2:	Ge[4,4,4x5,5x6]-5:Ge[4,4,4x5,5x6]-4:	Ge[4,4,4x5,5x6]-5:Ge[3,4,5,5,3x6]-3:Ge[3,3,4,4,4x6]-4:	Ge[4,4,4x5,5x6](Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]2Ge[4,5,5,6,6]2)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6])2(Ge[4,5,5,6,6]Ge[4,4,4x5,5x6])2	Ge[4,5,5,6,6](Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]2Ge[4,4,4x5,5x6]Ge[4,5,5,6,6])(Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]2Ge[4,5,5,6,6])	Ge[3,4,5,5,3x6](Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]Ge[4,4,4x5,5x6]Ge[4,5,5,6,6]2)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[4,4,4x5,5x6])(Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6]3)	Ge[4,4,4x5,5x6](Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]2Ge[4,5,5,6,6]2)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6])2(Ge[4,5,5,6,6]Ge[4,4,4x5,5x6])2{2|Ge<3>,2|Ge<4>}	Ge[4,5,5,6,6](Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]2Ge[4,4,4x5,5x6]Ge[4,5,5,6,6])(Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]2Ge[4,5,5,6,6]){1|Ge<4>,2|Ge<2>,2|Ge<3>}	Ge[3,4,5,5,3x6](Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]Ge[4,4,4x5,5x6]Ge[4,5,5,6,6]2)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[4,4,4x5,5x6])(Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6]3){2|Ge<2>,2|Ge<3>}	87.5995	34.653	2	87.5995	1200.843	2	87.5995	1200.843	2	87.5995	1200.843	2	89.1488	735.176	8	88.0522	648.605	11
686	262	938	6:SPD5_SP1_SP2	Ge[3x4,4x5,4x6]	Ge[4,5,5,6,6]	Ge[3,4,3x5,6,6]	3:3:3:2:4:	5:5:	4:5:4:	Ge[3,4,4,5,3x6]-3:Ge[3,4,4,5,5,6]-3:Ge[3,4,3x5,6,6]-3:Ge[4,5,5,6,6]-2:Si-4:	Ge[3,4,4,3x5,4x6]-5:Ge[3x4,4x5,4x6]-5:	Ge[3,3,4,4,5,3x6]-4:Ge[3x4,4x5,4x6]-5:Ge[3,4,5,5,3x6]-4:	Ge[3x4,4x5,4x6](Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6])(Ge[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[4,5,5,6,6]Ge[3,4,4,3x5,4x6])(SiSi3)	Ge[4,5,5,6,6](Ge[3,4,4,3x5,4x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,5,6]Ge[3,4,5,5,3x6]C)(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6]Si)	Ge[3,4,3x5,6,6](Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[3x4,4x5,4x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6]Si)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Si)	Ge[3x4,4x5,4x6](Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6])(Ge[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[4,5,5,6,6]Ge[3,4,4,3x5,4x6])(SiSi3){2|Si<4>,1|C<4>}	Ge[4,5,5,6,6](Ge[3,4,4,3x5,4x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,5,6]Ge[3,4,5,5,3x6]C)(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6]Si){1|Ge<4>,2|Si<4>}	Ge[3,4,3x5,6,6](Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[3x4,4x5,4x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6]Si)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Si){1|Si<4>,1|C<4>}	74.7808	0.000	1	74.7808	0.000	1	74.7808	0.000	1	74.7808	0.000	1	70.9232	29.761	2	91.6793	627.959	17
686	262	938	6:SPD5_SP1_SP2	Ge[3x4,4x5,4x6]	Ge[4,5,5,6,6]	Ge[3,4,3x5,6,6]	3:3:3:2:4:	5:5:	5:5:3:	Ge[3,4,4,5,3x6]-3:Ge[3,4,4,5,5,6]-3:Ge[3,4,3x5,6,6]-3:Ge[4,5,5,6,6]-2:Si-4:	Ge[3,4,4,3x5,4x6]-5:Ge[3x4,4x5,4x6]-5:	Ge[3,3,4,4,5,3x6]-5:Ge[3x4,4x5,4x6]-5:Ge[3,4,5,5,3x6]-3:	Ge[3x4,4x5,4x6](Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6])(Ge[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[4,5,5,6,6]Ge[3,4,4,3x5,4x6])(SiSi3)	Ge[4,5,5,6,6](Ge[3,4,4,3x5,4x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,5,6]Ge[3,4,5,5,3x6]Si)(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6]Si)	Ge[3,4,3x5,6,6](Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,5,5,3x6]Si)(Ge[3x4,4x5,4x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6]Si)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6])	Ge[3x4,4x5,4x6](Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6])(Ge[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[4,5,5,6,6]Ge[3,4,4,3x5,4x6])(SiSi3){2|Si<4>}	Ge[4,5,5,6,6](Ge[3,4,4,3x5,4x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,5,6]Ge[3,4,5,5,3x6]Si)(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6]Si){1|Ge<5>}	Ge[3,4,3x5,6,6](Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,5,5,3x6]Si)(Ge[3x4,4x5,4x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6]Si)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]){1|Si<4>}	67.0657	0.000	1	67.0657	0.000	1	67.0657	0.000	1	67.0657	0.000	1	70.9232	29.761	2	91.6793	627.959	17
686	262	938	6:SPD5_SP1_SP2	Ge[3x4,4x5,4x6]	Ge[4,5,5,6,6]	Ge[3,4,4,5,3x6]	3:3:3:2:4:	5:5:	5:4:5:	Ge[3,4,4,5,3x6]-3:Ge[3,4,4,5,5,6]-3:Ge[3,4,3x5,6,6]-3:Ge[4,5,5,6,6]-2:Si-4:	Ge[3,4,4,3x5,4x6]-5:Ge[3x4,4x5,4x6]-5:	Ge[3,3,4,4,5,3x6]-5:Ge[3,3,4,4,5,5,6,6]-4:Ge[3x4,4x5,4x6]-5:	Ge[3x4,4x5,4x6](Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6])(Ge[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[4,5,5,6,6]Ge[3,4,4,3x5,4x6])(SiSi3)	Ge[4,5,5,6,6](Ge[3,4,4,3x5,4x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,5,6]Ge[3,4,5,5,3x6]Si)(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6]Si)	Ge[3,4,4,5,3x6](Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6]Si)(Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,5,6])(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6]Si)	Ge[3x4,4x5,4x6](Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6])(Ge[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[4,5,5,6,6]Ge[3,4,4,3x5,4x6])(SiSi3){2|Si<4>}	Ge[4,5,5,6,6](Ge[3,4,4,3x5,4x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,5,6]Ge[3,4,5,5,3x6]Si)(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6]Si){1|Ge<5>}	Ge[3,4,4,5,3x6](Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6]Si)(Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,5,6])(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6]Si){1|Si<4>}	115.2135	0.735	2	115.2135	0.540	2	115.2135	0.540	2	114.8783	0.607	3	114.8783	0.607	3	91.6793	627.959	17
686	262	938	6:SPD5_SP1_SP2	Ge[3x4,4x5,4x6]	Ge[4,5,5,6,6]	Ge[3,4,4,5,3x6]	3:3:3:2:4:	5:5:	5:4:5:	Ge[3,4,4,5,3x6]-3:Ge[3,4,4,5,5,6]-3:Ge[3,4,3x5,6,6]-3:Ge[4,5,5,6,6]-2:Si-4:	Ge[3,4,4,3x5,4x6]-5:Ge[3x4,4x5,4x6]-5:	Ge[3,3,4,4,5,5,6,6]-5:Ge[3,3,4,4,5,3x6]-4:Ge[3x4,4x5,4x6]-5:	Ge[3x4,4x5,4x6](Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6])(Ge[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[4,5,5,6,6]Ge[3,4,4,3x5,4x6])(SiSi3)	Ge[4,5,5,6,6](Ge[3,4,4,3x5,4x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,5,6]Ge[3,4,5,5,3x6]C)(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6]Si)	Ge[3,4,4,5,3x6](Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,5,6]Si)(Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6])(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6]Si)	Ge[3x4,4x5,4x6](Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6])(Ge[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[4,5,5,6,6]Ge[3,4,4,3x5,4x6])(SiSi3){2|Si<4>,1|C<4>}	Ge[4,5,5,6,6](Ge[3,4,4,3x5,4x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,5,6]Ge[3,4,5,5,3x6]C)(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6]Si){1|Ge<4>,2|Si<4>}	Ge[3,4,4,5,3x6](Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,5,6]Si)(Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6])(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6]Si){1|Si<4>,1|C<4>}	114.2080	0.000	1	114.2080	0.000	1	114.2080	0.000	1	114.8783	0.607	3	114.8783	0.607	3	91.6793	627.959	17
686	262	938	6:SPD5_SP1_SP2	Ge[4,4,4x5,5x6]	Ge[4,5,5,6,6]	Ge[3,4,5,5,3x6]	3:3:2:2:4:	5:5:	5:3:5:	Ge[3,4,5,5,3x6]-3:Ge[3,4,5,5,3x6]-3:Ge[4,5,5,6,6]-2:Ge[4,5,5,6,6]-2:Si-4:	Ge[4,4,4x5,5x6]-5:Ge[4,4,4x5,5x6]-5:	Ge[4,4,4x5,5x6]-5:Ge[3,4,5,5,3x6]-3:Ge[3,3,4,4,4x6]-5:	Ge[4,4,4x5,5x6](Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6])2(Ge[4,5,5,6,6]Ge[4,4,4x5,5x6])2(SiSi3)	Ge[4,5,5,6,6](Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]2Ge[4,5,5,6,6]Si)2	Ge[3,4,5,5,3x6](Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]2Si)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[4,4,4x5,5x6])(Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6]3Si)	Ge[4,4,4x5,5x6](Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6])2(Ge[4,5,5,6,6]Ge[4,4,4x5,5x6])2(SiSi3){2|Si<4>}	Ge[4,5,5,6,6](Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]2Ge[4,5,5,6,6]Si)2{1|Ge<5>}	Ge[3,4,5,5,3x6](Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]2Si)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[4,4,4x5,5x6])(Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6]3Si){1|Si<4>}	89.8185	26.347	10	89.8185	694.186	10	89.8185	694.186	10	89.8185	694.186	10	89.3388	679.492	12	91.6793	627.959	17
686	262	938	6:SPD5_SP1_SP2	Ge[4,4,4x5,5x6]	Ge[4,5,5,6,6]	Ge[3,4,5,5,3x6]	5:3:3:2:2:	5:4:	5:3:4:	Ge[4,4,4x5,5x6]-5:Ge[3,4,5,5,3x6]-3:Ge[3,4,5,5,3x6]-3:Ge[4,5,5,6,6]-2:Ge[4,5,5,6,6]-2:	Ge[4,4,4x5,5x6]-5:Ge[4,4,4x5,5x6]-4:	Ge[4,4,4x5,5x6]-5:Ge[3,4,5,5,3x6]-3:Ge[3,3,4,4,4x6]-4:	Ge[4,4,4x5,5x6](Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]2Ge[4,5,5,6,6]2)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6])2(Ge[4,5,5,6,6]Ge[4,4,4x5,5x6])2	Ge[4,5,5,6,6](Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]2Ge[4,4,4x5,5x6]Ge[4,5,5,6,6])(Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]2Ge[4,5,5,6,6])	Ge[3,4,5,5,3x6](Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]Ge[4,4,4x5,5x6]Ge[4,5,5,6,6]2)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[4,4,4x5,5x6])(Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6]3)	Ge[4,4,4x5,5x6](Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]2Ge[4,5,5,6,6]2)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6])2(Ge[4,5,5,6,6]Ge[4,4,4x5,5x6])2{2|Ge<3>,2|Ge<4>}	Ge[4,5,5,6,6](Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]2Ge[4,4,4x5,5x6]Ge[4,5,5,6,6])(Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]2Ge[4,5,5,6,6]){1|Ge<4>,2|Ge<2>,2|Ge<3>}	Ge[3,4,5,5,3x6](Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]Ge[4,4,4x5,5x6]Ge[4,5,5,6,6]2)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[4,4,4x5,5x6])(Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6]3){2|Ge<2>,2|Ge<3>}	86.9404	34.827	2	86.9404	1212.934	2	86.9404	1212.934	2	86.9404	1212.934	2	89.3388	679.492	12	91.6793	627.959	17
686	542	542	0:SPD5_SP3_SP3	Ge[4,5,5]	N[5]	N[5]	4:4:3:3:1:	5:4:4:	5:4:4:	N[4,5,5]-4:N[4,5,5]-4:N[5]-3:N[5]-3:Cl-1:	Ge[4,5,5]-5:C[5]-4:Si-4:	Ge[4,5,5]-5:C[5]-4:Si-4:	Ge[4,5,5](N[4,5,5]Ge[4,5,5]C[5]2)2(N[5]C[5]Si)2(Cl)	N[5](Ge[4,5,5]N[4,5,5]2N[5]Cl)(C[5]C[5]HH)(SiC3)	N[5](Ge[4,5,5]N[4,5,5]2N[5]Cl)(C[5]C[5]HH)(SiC3)	Ge[4,5,5](N[4,5,5]Ge[4,5,5]C[5]2)2(N[5]C[5]Si)2(Cl){12|H<1>,1|Cl<1>,2|C<4>,2|N<3>}	N[5](Ge[4,5,5]N[4,5,5]2N[5]Cl)(C[5]C[5]HH)(SiC3){1|Ge<5>,1|Si<4>,2|H<1>,4|C<4>}	N[5](Ge[4,5,5]N[4,5,5]2N[5]Cl)(C[5]C[5]HH)(SiC3){1|Ge<5>,1|Si<4>,2|H<1>,4|C<4>}	123.4310	0.000	1	123.4310	0.000	1	123.4310	0.000	1	123.4310	0.000	1	123.4310	0.000	1	123.4310	0.000	1
686	542	542	5:SPD5_SP2_SP2	Ge[4,5]	N[5]	N[5]	2:2:3:3:1:	5:3:4:	5:3:4:	O[4]-2:O[4]-2:N[5]-3:N[5]-3:Cl-1:	Ge[4,5]-5:C[5]-3:C-4:	Ge[4,5]-5:C[5]-3:C-4:	Ge[4,5](O[4]Ge[4,5])2(N[5]C[5]C)2(Cl)	N[5](Ge[4,5]N[5]O[4]2Cl)(C[5]C[5]C)(CCHH)	N[5](Ge[4,5]N[5]O[4]2Cl)(C[5]C[5]C)(CCHH)	Ge[4,5](O[4]Ge[4,5])2(N[5]C[5]C)2(Cl){1|Cl<1>,2|C<3>,2|N<3>}	N[5](Ge[4,5]N[5]O[4]2Cl)(C[5]C[5]C)(CCHH){1|Ge<5>,1|C<3>,1|C<4>}	N[5](Ge[4,5]N[5]O[4]2Cl)(C[5]C[5]C)(CCHH){1|Ge<5>,1|C<3>,1|C<4>}	81.1021	0.000	1	81.1021	0.000	1	81.1021	0.000	1	81.1021	0.000	1	80.5517	0.276	4	80.5517	0.276	4
686	542	542	5:SPD5_SP2_SP2	Ge[4,5]	N[5]	N[5]	2:2:3:3:2:	5:3:4:	5:3:4:	O[4]-2:O[4]-2:N[5]-3:N[5]-3:O-2:	Ge[4,5]-5:C[5]-3:C-4:	Ge[4,5]-5:C[5]-3:C-4:	Ge[4,5](O[4]Ge[4,5])2(N[5]C[5]C)2(OSi)	N[5](Ge[4,5]N[5]O[4]2O)(C[5]C[5]C)(CCHH)	N[5](Ge[4,5]N[5]O[4]2O)(C[5]C[5]C)(CCHH)	Ge[4,5](O[4]Ge[4,5])2(N[5]C[5]C)2(OSi){1|O<2>,2|C<3>,2|N<3>}	N[5](Ge[4,5]N[5]O[4]2O)(C[5]C[5]C)(CCHH){1|Ge<5>,1|C<3>,1|C<4>}	N[5](Ge[4,5]N[5]O[4]2O)(C[5]C[5]C)(CCHH){1|Ge<5>,1|C<3>,1|C<4>}	80.4150	0.000	1	80.4150	0.000	1	80.4150	0.000	1	80.4150	0.000	1	80.5517	0.276	4	80.5517	0.276	4
686	542	542	5:SPD5_SP2_SP2	Ge[4,5]	N[5]	N[5]	2:2:3:3:3:	5:3:4:	5:3:4:	O[4]-2:O[4]-2:N[5]-3:N[5]-3:N-3:	Ge[4,5]-5:C[5]-3:C-4:	Ge[4,5]-5:C[5]-3:C-4:	Ge[4,5](O[4]Ge[4,5])2(N[5]C[5]C)2(NC[6a]C)	N[5](Ge[4,5]N[5]O[4]2N)(C[5]C[5]C)(CCHH)	N[5](Ge[4,5]N[5]O[4]2N)(C[5]C[5]C)(CCHH)	Ge[4,5](O[4]Ge[4,5])2(N[5]C[5]C)2(NC[6a]C){2|C<3>,3|N<3>}	N[5](Ge[4,5]N[5]O[4]2N)(C[5]C[5]C)(CCHH){1|Ge<5>,1|C<3>,1|C<4>}	N[5](Ge[4,5]N[5]O[4]2N)(C[5]C[5]C)(CCHH){1|Ge<5>,1|C<3>,1|C<4>}	79.8867	0.000	1	79.8867	0.000	1	79.8867	0.000	1	79.8867	0.000	1	80.5517	0.276	4	80.5517	0.276	4
686	542	542	5:SPD5_SP2_SP2	Ge[4,5]	N[5]	N[5]	3:2:2:3:3:	5:3:4:	5:3:4:	N[5a]-3:O[4]-2:O[4]-2:N[5]-3:N[5]-3:	Ge[4,5]-5:C[5]-3:C-4:	Ge[4,5]-5:C[5]-3:C-4:	Ge[4,5](N[5a]C[5a]2)(O[4]Ge[4,5])2(N[5]C[5]C)2	N[5](Ge[4,5]N[5a]N[5]O[4]2)(C[5]C[5]C)(CCHH)	N[5](Ge[4,5]N[5a]N[5]O[4]2)(C[5]C[5]C)(CCHH)	Ge[4,5](N[5a]C[5a]2)(O[4]Ge[4,5])2(N[5]C[5]C)2{2|H<1>,3|N<3>,4|C<3>}	N[5](Ge[4,5]N[5a]N[5]O[4]2)(C[5]C[5]C)(CCHH){1|Ge<5>,1|C<4>,3|C<3>}	N[5](Ge[4,5]N[5a]N[5]O[4]2)(C[5]C[5]C)(CCHH){1|Ge<5>,1|C<4>,3|C<3>}	80.8031	0.000	1	80.8031	0.000	1	80.8031	0.000	1	80.8031	0.000	1	80.5517	0.276	4	80.5517	0.276	4
686	542	790	0:SPD5_SP-NON_SP2	Ge[4,5]	N[5]	Cl	2:2:3:3:1:	5:3:4:	5:	O[4]-2:O[4]-2:N[5]-3:N[5]-3:Cl-1:	Ge[4,5]-5:C[5]-3:C-4:	Ge[4,5]-5:	Ge[4,5](O[4]Ge[4,5])2(N[5]C[5]C)2(Cl)	N[5](Ge[4,5]N[5]O[4]2Cl)(C[5]C[5]C)(CCHH)	Cl(Ge[4,5]N[5]2O[4]2)	Ge[4,5](O[4]Ge[4,5])2(N[5]C[5]C)2(Cl){1|Cl<1>,2|C<3>,2|N<3>}	N[5](Ge[4,5]N[5]O[4]2Cl)(C[5]C[5]C)(CCHH){1|Ge<5>,1|C<3>,1|C<4>}	Cl(Ge[4,5]N[5]2O[4]2)	101.4241	3.050	2	101.4241	9.304	2	101.4241	9.304	2	101.4241	9.304	2	101.4241	9.304	2	101.4241	9.304	2
686	542	790	0:SPD5_SP-NON_SP3	Ge[4,5,5]	N[5]	Cl	4:4:3:3:1:	5:4:4:	5:	N[4,5,5]-4:N[4,5,5]-4:N[5]-3:N[5]-3:Cl-1:	Ge[4,5,5]-5:C[5]-4:Si-4:	Ge[4,5,5]-5:	Ge[4,5,5](N[4,5,5]Ge[4,5,5]C[5]2)2(N[5]C[5]Si)2(Cl)	N[5](Ge[4,5,5]N[4,5,5]2N[5]Cl)(C[5]C[5]HH)(SiC3)	Cl(Ge[4,5,5]N[4,5,5]2N[5]2)	Ge[4,5,5](N[4,5,5]Ge[4,5,5]C[5]2)2(N[5]C[5]Si)2(Cl){12|H<1>,1|Cl<1>,2|C<4>,2|N<3>}	N[5](Ge[4,5,5]N[4,5,5]2N[5]Cl)(C[5]C[5]HH)(SiC3){1|Ge<5>,1|Si<4>,2|H<1>,4|C<4>}	Cl(Ge[4,5,5]N[4,5,5]2N[5]2)	98.1624	0.690	2	98.1624	0.476	2	98.1624	0.476	2	98.1624	0.476	2	98.1624	0.476	2	98.1624	0.476	2
686	542	813	0:SPD5_SP2_SP2	Ge[4,5]	N[5]	N[5a]	3:2:2:3:3:	5:3:4:	5:3:3:	N[5a]-3:O[4]-2:O[4]-2:N[5]-3:N[5]-3:	Ge[4,5]-5:C[5]-3:C-4:	Ge[4,5]-5:C[5a]-3:C[5a]-3:	Ge[4,5](N[5a]C[5a]2)(O[4]Ge[4,5])2(N[5]C[5]C)2	N[5](Ge[4,5]N[5a]N[5]O[4]2)(C[5]C[5]C)(CCHH)	N[5a](Ge[4,5]N[5]2O[4]2)(C[5a]C[5a]H)2	Ge[4,5](N[5a]C[5a]2)(O[4]Ge[4,5])2(N[5]C[5]C)2{2|H<1>,3|N<3>,4|C<3>}	N[5](Ge[4,5]N[5a]N[5]O[4]2)(C[5]C[5]C)(CCHH){1|Ge<5>,1|C<4>,3|C<3>}	N[5a](Ge[4,5]N[5]2O[4]2)(C[5a]C[5a]H)2{1|Ge<5>,2|C<3>,2|C<4>,2|H<1>}	101.5264	9.311	2	101.5264	86.686	2	101.5264	86.686	2	101.5264	86.686	2	101.5264	86.686	2	101.5264	86.686	2
686	542	893	0:SPD5_SP2_SP3	Ge[4,5]	N[5]	O	2:2:3:3:2:	5:3:4:	5:4:	O[4]-2:O[4]-2:N[5]-3:N[5]-3:O-2:	Ge[4,5]-5:C[5]-3:C-4:	Ge[4,5]-5:Si-4:	Ge[4,5](O[4]Ge[4,5])2(N[5]C[5]C)2(OSi)	N[5](Ge[4,5]N[5]O[4]2O)(C[5]C[5]C)(CCHH)	O(Ge[4,5]N[5]2O[4]2)(SiC3)	Ge[4,5](O[4]Ge[4,5])2(N[5]C[5]C)2(OSi){1|O<2>,2|C<3>,2|N<3>}	N[5](Ge[4,5]N[5]O[4]2O)(C[5]C[5]C)(CCHH){1|Ge<5>,1|C<3>,1|C<4>}	O(Ge[4,5]N[5]2O[4]2)(SiC3)	100.9007	11.910	2	100.9007	141.837	2	100.9007	141.837	2	100.9007	141.837	2	100.9007	141.837	2	100.9007	141.837	2
686	542	956	0:SPD5_SP2_SP2	Ge[4,5]	N[5]	N	2:2:3:3:3:	5:3:4:	5:3:4:	O[4]-2:O[4]-2:N[5]-3:N[5]-3:N-3:	Ge[4,5]-5:C[5]-3:C-4:	Ge[4,5]-5:C[6a]-3:C-4:	Ge[4,5](O[4]Ge[4,5])2(N[5]C[5]C)2(NC[6a]C)	N[5](Ge[4,5]N[5]O[4]2N)(C[5]C[5]C)(CCHH)	N(Ge[4,5]N[5]2O[4]2)(C[6a]C[6a]2)(CH3)	Ge[4,5](O[4]Ge[4,5])2(N[5]C[5]C)2(NC[6a]C){2|C<3>,3|N<3>}	N[5](Ge[4,5]N[5]O[4]2N)(C[5]C[5]C)(CCHH){1|Ge<5>,1|C<3>,1|C<4>}	N(Ge[4,5]N[5]2O[4]2)(C[6a]C[6a]2)(CH3)	106.4231	14.416	2	106.4231	207.829	2	106.4231	207.829	2	106.4231	207.829	2	106.4231	207.829	2	106.4231	207.829	2
686	542	980	5:SPD5_SP3_SP3	Ge[4,5,5]	N[5]	N[4,5,5]	4:4:3:3:1:	5:4:4:	5:5:4:4:	N[4,5,5]-4:N[4,5,5]-4:N[5]-3:N[5]-3:Cl-1:	Ge[4,5,5]-5:C[5]-4:Si-4:	Ge[4,5,5]-5:Ge[4,5,5]-5:C[5]-4:C[5]-4:	Ge[4,5,5](N[4,5,5]Ge[4,5,5]C[5]2)2(N[5]C[5]Si)2(Cl)	N[5](Ge[4,5,5]N[4,5,5]2N[5]Cl)(C[5]C[5]HH)(SiC3)	N[4,5,5](Ge[4,5,5]N[4,5,5]N[5]2Cl)2(C[5]C[5]HH)2	Ge[4,5,5](N[4,5,5]Ge[4,5,5]C[5]2)2(N[5]C[5]Si)2(Cl){12|H<1>,1|Cl<1>,2|C<4>,2|N<3>}	N[5](Ge[4,5,5]N[4,5,5]2N[5]Cl)(C[5]C[5]HH)(SiC3){1|Ge<5>,1|Si<4>,2|H<1>,4|C<4>}	N[4,5,5](Ge[4,5,5]N[4,5,5]N[5]2Cl)2(C[5]C[5]HH)2{4|Si<4>,4|C<4>,4|H<1>}	101.3277	17.833	4	101.3277	318.019	4	101.3277	318.019	4	101.3277	318.019	4	101.3277	318.019	4	101.3277	318.019	4
686	686	938	5:SPD5_SP2_SPD5	Ge[4,4,4x5,5x6]	Ge[4,4,4x5,5x6]	Ge[3,4,5,5,3x6]	5:3:3:2:2:	5:3:3:2:2:	5:3:4:	Ge[4,4,4x5,5x6]-5:Ge[3,4,5,5,3x6]-3:Ge[3,4,5,5,3x6]-3:Ge[4,5,5,6,6]-2:Ge[4,5,5,6,6]-2:	Ge[4,4,4x5,5x6]-5:Ge[3,4,5,5,3x6]-3:Ge[3,4,5,5,3x6]-3:Ge[4,5,5,6,6]-2:Ge[4,5,5,6,6]-2:	Ge[4,4,4x5,5x6]-5:Ge[3,4,5,5,3x6]-3:Ge[3,3,4,4,4x6]-4:	Ge[4,4,4x5,5x6](Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]2Ge[4,5,5,6,6]2)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6])2(Ge[4,5,5,6,6]Ge[4,4,4x5,5x6])2	Ge[4,4,4x5,5x6](Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]2Ge[4,5,5,6,6]2)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6])2(Ge[4,5,5,6,6]Ge[4,4,4x5,5x6])2	Ge[3,4,5,5,3x6](Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]Ge[4,4,4x5,5x6]Ge[4,5,5,6,6]2)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[4,4,4x5,5x6])(Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6]3)	Ge[4,4,4x5,5x6](Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]2Ge[4,5,5,6,6]2)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6])2(Ge[4,5,5,6,6]Ge[4,4,4x5,5x6])2{2|Ge<3>,2|Ge<4>}	Ge[4,4,4x5,5x6](Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]2Ge[4,5,5,6,6]2)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6])2(Ge[4,5,5,6,6]Ge[4,4,4x5,5x6])2{2|Ge<3>,2|Ge<4>}	Ge[3,4,5,5,3x6](Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]Ge[4,4,4x5,5x6]Ge[4,5,5,6,6]2)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[4,4,4x5,5x6])(Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6]3){2|Ge<2>,2|Ge<3>}	126.9480	0.000	1	126.9480	0.000	1	126.9480	0.000	1	126.9480	0.000	1	126.9480	0.000	1	126.9480	0.000	1
686	686	938	6:SPD5_SP2_SPD5	Ge[4,4,4x5,5x6]	Ge[4,4,4x5,5x6]	Ge[3,4,5,5,3x6]	5:3:3:2:2:	5:3:3:2:2:	5:3:4:	Ge[4,4,4x5,5x6]-5:Ge[3,4,5,5,3x6]-3:Ge[3,4,5,5,3x6]-3:Ge[4,5,5,6,6]-2:Ge[4,5,5,6,6]-2:	Ge[4,4,4x5,5x6]-5:Ge[3,4,5,5,3x6]-3:Ge[3,4,5,5,3x6]-3:Ge[4,5,5,6,6]-2:Ge[4,5,5,6,6]-2:	Ge[4,4,4x5,5x6]-5:Ge[3,4,5,5,3x6]-3:Ge[3,3,4,4,4x6]-4:	Ge[4,4,4x5,5x6](Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]2Ge[4,5,5,6,6]2)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6])2(Ge[4,5,5,6,6]Ge[4,4,4x5,5x6])2	Ge[4,4,4x5,5x6](Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]2Ge[4,5,5,6,6]2)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6])2(Ge[4,5,5,6,6]Ge[4,4,4x5,5x6])2	Ge[3,4,5,5,3x6](Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]Ge[4,4,4x5,5x6]Ge[4,5,5,6,6]2)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[4,4,4x5,5x6])(Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6]3)	Ge[4,4,4x5,5x6](Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]2Ge[4,5,5,6,6]2)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6])2(Ge[4,5,5,6,6]Ge[4,4,4x5,5x6])2{2|Ge<3>,2|Ge<4>}	Ge[4,4,4x5,5x6](Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]2Ge[4,5,5,6,6]2)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6])2(Ge[4,5,5,6,6]Ge[4,4,4x5,5x6])2{2|Ge<3>,2|Ge<4>}	Ge[3,4,5,5,3x6](Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]Ge[4,4,4x5,5x6]Ge[4,5,5,6,6]2)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[4,4,4x5,5x6])(Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6]3){2|Ge<2>,2|Ge<3>}	127.6970	0.000	1	127.6970	0.000	1	127.6970	0.000	1	127.6970	0.000	1	127.6970	0.000	1	127.6970	0.000	1
686	790	980	0:SPD5_SP-NON_SP3	Ge[4,5,5]	Cl	N[4,5,5]	4:4:3:3:1:	5:	5:5:4:4:	N[4,5,5]-4:N[4,5,5]-4:N[5]-3:N[5]-3:Cl-1:	Ge[4,5,5]-5:	Ge[4,5,5]-5:Ge[4,5,5]-5:C[5]-4:C[5]-4:	Ge[4,5,5](N[4,5,5]Ge[4,5,5]C[5]2)2(N[5]C[5]Si)2(Cl)	Cl(Ge[4,5,5]N[4,5,5]2N[5]2)	N[4,5,5](Ge[4,5,5]N[4,5,5]N[5]2Cl)2(C[5]C[5]HH)2	Ge[4,5,5](N[4,5,5]Ge[4,5,5]C[5]2)2(N[5]C[5]Si)2(Cl){12|H<1>,1|Cl<1>,2|C<4>,2|N<3>}	Cl(Ge[4,5,5]N[4,5,5]2N[5]2)	N[4,5,5](Ge[4,5,5]N[4,5,5]N[5]2Cl)2(C[5]C[5]HH)2{4|Si<4>,4|C<4>,4|H<1>}	131.0819	56.563	2	131.0819	3199.376	2	131.0819	3199.376	2	131.0819	3199.376	2	131.0819	3199.376	2	131.0819	3199.376	2
686	830	830	0:SPD5_SP-NON_SP-NON	Ge[4]	F	F	3:3:3:1:1:	5:	5:	N[4]-3:N[4]-3:N-3:F-1:F-1:	Ge[4]-5:	Ge[4]-5:	Ge[4](N[4]C[4]C)2(NSi2)(F)2	F(Ge[4]N[4]2FN)	F(Ge[4]N[4]2FN)	Ge[4](N[4]C[4]C)2(NSi2)(F)2{1|C<3>}	F(Ge[4]N[4]2FN)	F(Ge[4]N[4]2FN)	88.9653	0.000	1	88.9653	0.000	1	88.9653	0.000	1	88.9653	0.000	1	88.9653	0.000	1	88.9653	0.000	1
686	830	956	0:SPD5_SP-NON_SP3	Ge[4]	F	N	3:3:3:1:1:	5:	5:4:4:	N[4]-3:N[4]-3:N-3:F-1:F-1:	Ge[4]-5:	Ge[4]-5:Si-4:Si-4:	Ge[4](N[4]C[4]C)2(NSi2)(F)2	F(Ge[4]N[4]2FN)	N(Ge[4]N[4]2FF)(SiC3)2	Ge[4](N[4]C[4]C)2(NSi2)(F)2{1|C<3>}	F(Ge[4]N[4]2FN)	N(Ge[4]N[4]2FF)(SiC3)2	107.8778	13.154	2	107.8778	173.023	2	107.8778	173.023	2	107.8778	173.023	2	107.8778	173.023	2	107.8778	173.023	2
686	880	938	0:SPD5_SP2_SP3	Ge[3x4,4x5,4x6]	Si	Ge[3,4,3x5,6,6]	3:3:3:2:4:	5:4:4:4:	4:5:4:	Ge[3,4,4,5,3x6]-3:Ge[3,4,4,5,5,6]-3:Ge[3,4,3x5,6,6]-3:Ge[4,5,5,6,6]-2:Si-4:	Ge[3x4,4x5,4x6]-5:Si-4:Si-4:Si-4:	Ge[3,3,4,4,5,3x6]-4:Ge[3x4,4x5,4x6]-5:Ge[3,4,5,5,3x6]-4:	Ge[3x4,4x5,4x6](Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6])(Ge[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[4,5,5,6,6]Ge[3,4,4,3x5,4x6])(SiSi3)	Si(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6])(SiC3)3	Ge[3,4,3x5,6,6](Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[3x4,4x5,4x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6]Si)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Si)	Ge[3x4,4x5,4x6](Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6])(Ge[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[4,5,5,6,6]Ge[3,4,4,3x5,4x6])(SiSi3){2|Si<4>,1|C<4>}	Si(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6])(SiC3)3	Ge[3,4,3x5,6,6](Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[3x4,4x5,4x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6]Si)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Si){1|Si<4>,1|C<4>}	119.0215	0.634	2	119.0215	0.402	2	119.0215	0.402	2	119.0215	0.402	2	122.6965	18.290	4	124.1013	19.430	28
686	880	938	0:SPD5_SP2_SP3	Ge[3x4,4x5,4x6]	Si	Ge[3,4,3x5,6,6]	3:3:3:2:4:	5:4:4:4:	5:5:3:	Ge[3,4,4,5,3x6]-3:Ge[3,4,4,5,5,6]-3:Ge[3,4,3x5,6,6]-3:Ge[4,5,5,6,6]-2:Si-4:	Ge[3x4,4x5,4x6]-5:Si-4:Si-4:Si-4:	Ge[3,3,4,4,5,3x6]-5:Ge[3x4,4x5,4x6]-5:Ge[3,4,5,5,3x6]-3:	Ge[3x4,4x5,4x6](Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6])(Ge[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[4,5,5,6,6]Ge[3,4,4,3x5,4x6])(SiSi3)	Si(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6])(SiC3)3	Ge[3,4,3x5,6,6](Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,5,5,3x6]Si)(Ge[3x4,4x5,4x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6]Si)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6])	Ge[3x4,4x5,4x6](Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6])(Ge[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[4,5,5,6,6]Ge[3,4,4,3x5,4x6])(SiSi3){2|Si<4>}	Si(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6])(SiC3)3	Ge[3,4,3x5,6,6](Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,5,5,3x6]Si)(Ge[3x4,4x5,4x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6]Si)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]){1|Si<4>}	126.3715	0.667	2	126.3715	0.445	2	126.3715	0.445	2	126.3715	0.445	2	122.6965	18.290	4	124.1013	19.430	28
686	880	938	0:SPD5_SP2_SP3	Ge[3x4,4x5,4x6]	Si	Ge[3,4,4,5,3x6]	3:3:3:2:4:	5:4:4:4:	5:4:5:	Ge[3,4,4,5,3x6]-3:Ge[3,4,4,5,5,6]-3:Ge[3,4,3x5,6,6]-3:Ge[4,5,5,6,6]-2:Si-4:	Ge[3x4,4x5,4x6]-5:Si-4:Si-4:Si-4:	Ge[3,3,4,4,5,3x6]-5:Ge[3,3,4,4,5,5,6,6]-4:Ge[3x4,4x5,4x6]-5:	Ge[3x4,4x5,4x6](Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6])(Ge[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[4,5,5,6,6]Ge[3,4,4,3x5,4x6])(SiSi3)	Si(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6])(SiC3)3	Ge[3,4,4,5,3x6](Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6]Si)(Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,5,6])(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6]Si)	Ge[3x4,4x5,4x6](Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6])(Ge[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[4,5,5,6,6]Ge[3,4,4,3x5,4x6])(SiSi3){2|Si<4>}	Si(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6])(SiC3)3	Ge[3,4,4,5,3x6](Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6]Si)(Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,5,6])(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6]Si){1|Si<4>}	126.7255	7.398	2	126.7255	54.737	2	126.7255	54.737	2	124.5847	24.561	4	124.5847	24.561	4	124.1013	19.430	28
686	880	938	0:SPD5_SP2_SP3	Ge[3x4,4x5,4x6]	Si	Ge[3,4,4,5,3x6]	3:3:3:2:4:	5:4:4:4:	5:4:5:	Ge[3,4,4,5,3x6]-3:Ge[3,4,4,5,5,6]-3:Ge[3,4,3x5,6,6]-3:Ge[4,5,5,6,6]-2:Si-4:	Ge[3x4,4x5,4x6]-5:Si-4:Si-4:Si-4:	Ge[3,3,4,4,5,5,6,6]-5:Ge[3,3,4,4,5,3x6]-4:Ge[3x4,4x5,4x6]-5:	Ge[3x4,4x5,4x6](Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6])(Ge[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[4,5,5,6,6]Ge[3,4,4,3x5,4x6])(SiSi3)	Si(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6])(SiC3)3	Ge[3,4,4,5,3x6](Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,5,6]Si)(Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6])(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6]Si)	Ge[3x4,4x5,4x6](Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6])(Ge[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[4,5,5,6,6]Ge[3,4,4,3x5,4x6])(SiSi3){2|Si<4>,1|C<4>}	Si(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6])(SiC3)3	Ge[3,4,4,5,3x6](Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,5,6]Si)(Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6])(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6]Si){1|Si<4>,1|C<4>}	122.4440	0.785	2	122.4440	0.616	2	122.4440	0.616	2	124.5847	24.561	4	124.5847	24.561	4	124.1013	19.430	28
686	880	938	0:SPD5_SP2_SP3	Ge[3x4,4x5,4x6]	Si	Ge[3,4,4,5,5,6]	3:3:3:2:4:	5:4:4:4:	4:5:5:	Ge[3,4,4,5,3x6]-3:Ge[3,4,4,5,5,6]-3:Ge[3,4,3x5,6,6]-3:Ge[4,5,5,6,6]-2:Si-4:	Ge[3x4,4x5,4x6]-5:Si-4:Si-4:Si-4:	Ge[3,3,4,4,5,5,6,6]-4:Ge[3,4,4,3x5,4x6]-5:Ge[3x4,4x5,4x6]-5:	Ge[3x4,4x5,4x6](Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6])(Ge[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[4,5,5,6,6]Ge[3,4,4,3x5,4x6])(SiSi3)	Si(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6])(SiC3)3	Ge[3,4,4,5,5,6](Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,3x6])(Ge[3,4,4,3x5,4x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]Si)(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[4,5,5,6,6]Si)	Ge[3x4,4x5,4x6](Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6])(Ge[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[4,5,5,6,6]Ge[3,4,4,3x5,4x6])(SiSi3){2|Si<4>}	Si(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6])(SiC3)3	Ge[3,4,4,5,5,6](Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,3x6])(Ge[3,4,4,3x5,4x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]Si)(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[4,5,5,6,6]Si){1|Si<4>}	116.5800	4.047	2	116.5800	16.382	2	116.5800	16.382	2	116.5800	16.382	2	121.7867	41.656	4	124.1013	19.430	28
686	880	938	0:SPD5_SP2_SP3	Ge[3x4,4x5,4x6]	Si	Ge[3,4,4,5,5,6]	3:3:3:2:4:	5:4:4:4:	5:5:5:	Ge[3,4,4,5,3x6]-3:Ge[3,4,4,5,5,6]-3:Ge[3,4,3x5,6,6]-3:Ge[4,5,5,6,6]-2:Si-4:	Ge[3x4,4x5,4x6]-5:Si-4:Si-4:Si-4:	Ge[3,3,4,4,5,5,6,6]-5:Ge[3,4,4,3x5,4x6]-5:Ge[3x4,4x5,4x6]-5:	Ge[3x4,4x5,4x6](Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6])(Ge[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[4,5,5,6,6]Ge[3,4,4,3x5,4x6])(SiSi3)	Si(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6])(SiC3)3	Ge[3,4,4,5,5,6](Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,3x6]Si)(Ge[3,4,4,3x5,4x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]C)(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[4,5,5,6,6]Si)	Ge[3x4,4x5,4x6](Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6])(Ge[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[4,5,5,6,6]Ge[3,4,4,3x5,4x6])(SiSi3){2|Si<4>,1|C<4>}	Si(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6])(SiC3)3	Ge[3,4,4,5,5,6](Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,3x6]Si)(Ge[3,4,4,3x5,4x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]C)(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[4,5,5,6,6]Si){1|Si<4>}	126.9935	0.383	2	126.9935	0.146	2	126.9935	0.146	2	126.9935	0.146	2	121.7867	41.656	4	124.1013	19.430	28
686	880	938	0:SPD5_SP2_SP3	Ge[4,4,4x5,5x6]	Si	Ge[3,4,5,5,3x6]	3:3:2:2:4:	5:4:4:4:	5:3:5:	Ge[3,4,5,5,3x6]-3:Ge[3,4,5,5,3x6]-3:Ge[4,5,5,6,6]-2:Ge[4,5,5,6,6]-2:Si-4:	Ge[4,4,4x5,5x6]-5:Si-4:Si-4:Si-4:	Ge[4,4,4x5,5x6]-5:Ge[3,4,5,5,3x6]-3:Ge[3,3,4,4,4x6]-5:	Ge[4,4,4x5,5x6](Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6])2(Ge[4,5,5,6,6]Ge[4,4,4x5,5x6])2(SiSi3)	Si(Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]2Ge[4,5,5,6,6]2)(SiC3)3	Ge[3,4,5,5,3x6](Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]2Si)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[4,4,4x5,5x6])(Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6]3Si)	Ge[4,4,4x5,5x6](Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6])2(Ge[4,5,5,6,6]Ge[4,4,4x5,5x6])2(SiSi3){2|Si<4>}	Si(Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]2Ge[4,5,5,6,6]2)(SiC3)3	Ge[3,4,5,5,3x6](Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]2Si)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[4,4,4x5,5x6])(Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6]3Si){1|Si<4>}	127.0791	2.712	8	127.0791	7.355	8	127.0791	7.355	8	127.0791	7.355	8	127.0791	7.355	8	124.1013	19.430	28
686	880	938	0:SPD5_SP2_SP3	Ge[4x4,4x5,4x6]	Si	Ge[3,4,4,5,5,6,6]	3:3:3:3:4:	5:4:4:4:	5:4:5:	Ge[3,4,4,5,5,6,6]-3:Ge[3,4,4,5,5,6,6]-3:Ge[3,4,4,5,5,6,6]-3:Ge[3,4,4,5,5,6,6]-3:Si-4:	Ge[4x4,4x5,4x6]-5:Si-4:Si-4:Si-4:	Ge[3,3,4,4,5,5,3x6]-5:Ge[3,3,4,4,5,5,3x6]-4:Ge[4x4,4x5,4x6]-5:	Ge[4x4,4x5,4x6](Ge[3,4,4,5,5,6,6]Ge[3,3,4,4,5,5,3x6]2)4(SiSi3)	Si(Ge[4x4,4x5,4x6]Ge[3,4,4,5,5,6,6]4)(SiC3)3	Ge[3,4,4,5,5,6,6](Ge[3,3,4,4,5,5,3x6]Ge[3,3,4,4,5,5,3x6]2Ge[3,4,4,5,5,6,6]Si)(Ge[3,3,4,4,5,5,3x6]Ge[3,3,4,4,5,5,3x6]2Ge[3,4,4,5,5,6,6])(Ge[4x4,4x5,4x6]Ge[3,4,4,5,5,6,6]3Si)	Ge[4x4,4x5,4x6](Ge[3,4,4,5,5,6,6]Ge[3,3,4,4,5,5,3x6]2)4(SiSi3){2|Si<4>}	Si(Ge[4x4,4x5,4x6]Ge[3,4,4,5,5,6,6]4)(SiC3)3	Ge[3,4,4,5,5,6,6](Ge[3,3,4,4,5,5,3x6]Ge[3,3,4,4,5,5,3x6]2Ge[3,4,4,5,5,6,6]Si)(Ge[3,3,4,4,5,5,3x6]Ge[3,3,4,4,5,5,3x6]2Ge[3,4,4,5,5,6,6])(Ge[4x4,4x5,4x6]Ge[3,4,4,5,5,6,6]3Si){1|Si<4>}	122.7415	3.847	8	122.7415	14.802	8	122.7415	14.802	8	122.7415	14.802	8	122.7415	14.802	8	124.1013	19.430	28
686	938	938	4:SPD5_SP2_SP2	Ge[3x4,4x5,4x6]	Ge[3,4,4,5,3x6]	Ge[3,4,3x5,6,6]	3:3:3:2:4:	5:4:5:	5:5:3:	Ge[3,4,4,5,3x6]-3:Ge[3,4,4,5,5,6]-3:Ge[3,4,3x5,6,6]-3:Ge[4,5,5,6,6]-2:Si-4:	Ge[3,3,4,4,5,3x6]-5:Ge[3,3,4,4,5,5,6,6]-4:Ge[3x4,4x5,4x6]-5:	Ge[3,3,4,4,5,3x6]-5:Ge[3x4,4x5,4x6]-5:Ge[3,4,5,5,3x6]-3:	Ge[3x4,4x5,4x6](Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6])(Ge[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[4,5,5,6,6]Ge[3,4,4,3x5,4x6])(SiSi3)	Ge[3,4,4,5,3x6](Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6]Si)(Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,5,6])(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6]Si)	Ge[3,4,3x5,6,6](Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,5,5,3x6]Si)(Ge[3x4,4x5,4x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6]Si)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6])	Ge[3x4,4x5,4x6](Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6])(Ge[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[4,5,5,6,6]Ge[3,4,4,3x5,4x6])(SiSi3){2|Si<4>}	Ge[3,4,4,5,3x6](Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6]Si)(Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,5,6])(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6]Si){1|Si<4>}	Ge[3,4,3x5,6,6](Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,5,5,3x6]Si)(Ge[3x4,4x5,4x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6]Si)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]){1|Si<4>}	80.3290	0.000	1	80.3290	0.000	1	80.3290	0.000	1	80.3290	0.000	1	80.3290	0.000	1	74.5094	57.494	5
686	938	938	4:SPD5_SP2_SP2	Ge[3x4,4x5,4x6]	Ge[3,4,4,5,3x6]	Ge[3,4,4,5,5,6]	3:3:3:2:4:	5:4:5:	5:5:5:	Ge[3,4,4,5,3x6]-3:Ge[3,4,4,5,5,6]-3:Ge[3,4,3x5,6,6]-3:Ge[4,5,5,6,6]-2:Si-4:	Ge[3,3,4,4,5,5,6,6]-5:Ge[3,3,4,4,5,3x6]-4:Ge[3x4,4x5,4x6]-5:	Ge[3,3,4,4,5,5,6,6]-5:Ge[3,4,4,3x5,4x6]-5:Ge[3x4,4x5,4x6]-5:	Ge[3x4,4x5,4x6](Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6])(Ge[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[4,5,5,6,6]Ge[3,4,4,3x5,4x6])(SiSi3)	Ge[3,4,4,5,3x6](Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,5,6]Si)(Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6])(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6]Si)	Ge[3,4,4,5,5,6](Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,3x6]Si)(Ge[3,4,4,3x5,4x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]C)(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[4,5,5,6,6]Si)	Ge[3x4,4x5,4x6](Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6])(Ge[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[4,5,5,6,6]Ge[3,4,4,3x5,4x6])(SiSi3){2|Si<4>,1|C<4>}	Ge[3,4,4,5,3x6](Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,5,6]Si)(Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6])(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6]Si){1|Si<4>,1|C<4>}	Ge[3,4,4,5,5,6](Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,3x6]Si)(Ge[3,4,4,3x5,4x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]C)(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[4,5,5,6,6]Si){1|Si<4>}	75.2003	0.000	1	75.2003	0.000	1	75.2003	0.000	1	75.2003	0.000	1	75.2003	0.000	1	74.5094	57.494	5
686	938	938	4:SPD5_SP2_SP2	Ge[4,4,4x5,5x6]	Ge[3,4,5,5,3x6]	Ge[3,4,5,5,3x6]	3:3:2:2:4:	5:3:5:	5:3:5:	Ge[3,4,5,5,3x6]-3:Ge[3,4,5,5,3x6]-3:Ge[4,5,5,6,6]-2:Ge[4,5,5,6,6]-2:Si-4:	Ge[4,4,4x5,5x6]-5:Ge[3,4,5,5,3x6]-3:Ge[3,3,4,4,4x6]-5:	Ge[4,4,4x5,5x6]-5:Ge[3,4,5,5,3x6]-3:Ge[3,3,4,4,4x6]-5:	Ge[4,4,4x5,5x6](Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6])2(Ge[4,5,5,6,6]Ge[4,4,4x5,5x6])2(SiSi3)	Ge[3,4,5,5,3x6](Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]2Si)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[4,4,4x5,5x6])(Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6]3Si)	Ge[3,4,5,5,3x6](Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]2Si)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[4,4,4x5,5x6])(Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6]3Si)	Ge[4,4,4x5,5x6](Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6])2(Ge[4,5,5,6,6]Ge[4,4,4x5,5x6])2(SiSi3){2|Si<4>}	Ge[3,4,5,5,3x6](Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]2Si)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[4,4,4x5,5x6])(Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6]3Si){1|Si<4>}	Ge[3,4,5,5,3x6](Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]2Si)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[4,4,4x5,5x6])(Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6]3Si){1|Si<4>}	83.3369	0.000	1	83.3369	0.000	1	83.3369	0.000	1	83.3369	0.000	1	83.3369	0.000	1	74.5094	57.494	5
686	938	938	4:SPD5_SP2_SP2	Ge[4x4,4x5,4x6]	Ge[3,4,4,5,5,6,6]	Ge[3,4,4,5,5,6,6]	3:3:3:3:4:	5:4:5:	5:4:5:	Ge[3,4,4,5,5,6,6]-3:Ge[3,4,4,5,5,6,6]-3:Ge[3,4,4,5,5,6,6]-3:Ge[3,4,4,5,5,6,6]-3:Si-4:	Ge[3,3,4,4,5,5,3x6]-5:Ge[3,3,4,4,5,5,3x6]-4:Ge[4x4,4x5,4x6]-5:	Ge[3,3,4,4,5,5,3x6]-5:Ge[3,3,4,4,5,5,3x6]-4:Ge[4x4,4x5,4x6]-5:	Ge[4x4,4x5,4x6](Ge[3,4,4,5,5,6,6]Ge[3,3,4,4,5,5,3x6]2)4(SiSi3)	Ge[3,4,4,5,5,6,6](Ge[3,3,4,4,5,5,3x6]Ge[3,3,4,4,5,5,3x6]2Ge[3,4,4,5,5,6,6]Si)(Ge[3,3,4,4,5,5,3x6]Ge[3,3,4,4,5,5,3x6]2Ge[3,4,4,5,5,6,6])(Ge[4x4,4x5,4x6]Ge[3,4,4,5,5,6,6]3Si)	Ge[3,4,4,5,5,6,6](Ge[3,3,4,4,5,5,3x6]Ge[3,3,4,4,5,5,3x6]2Ge[3,4,4,5,5,6,6]Si)(Ge[3,3,4,4,5,5,3x6]Ge[3,3,4,4,5,5,3x6]2Ge[3,4,4,5,5,6,6])(Ge[4x4,4x5,4x6]Ge[3,4,4,5,5,6,6]3Si)	Ge[4x4,4x5,4x6](Ge[3,4,4,5,5,6,6]Ge[3,3,4,4,5,5,3x6]2)4(SiSi3){2|Si<4>}	Ge[3,4,4,5,5,6,6](Ge[3,3,4,4,5,5,3x6]Ge[3,3,4,4,5,5,3x6]2Ge[3,4,4,5,5,6,6]Si)(Ge[3,3,4,4,5,5,3x6]Ge[3,3,4,4,5,5,3x6]2Ge[3,4,4,5,5,6,6])(Ge[4x4,4x5,4x6]Ge[3,4,4,5,5,6,6]3Si){1|Si<4>}	Ge[3,4,4,5,5,6,6](Ge[3,3,4,4,5,5,3x6]Ge[3,3,4,4,5,5,3x6]2Ge[3,4,4,5,5,6,6]Si)(Ge[3,3,4,4,5,5,3x6]Ge[3,3,4,4,5,5,3x6]2Ge[3,4,4,5,5,6,6])(Ge[4x4,4x5,4x6]Ge[3,4,4,5,5,6,6]3Si){1|Si<4>}	66.8405	0.285	2	66.8405	0.081	2	66.8405	0.081	2	66.8405	0.081	2	66.8405	0.081	2	74.5094	57.494	5
686	938	938	5:SPD5_SP2_SP2	Ge[3x4,4x5,4x6]	Ge[3,4,4,5,5,6]	Ge[3,4,3x5,6,6]	3:3:3:2:4:	4:5:5:	5:5:3:	Ge[3,4,4,5,3x6]-3:Ge[3,4,4,5,5,6]-3:Ge[3,4,3x5,6,6]-3:Ge[4,5,5,6,6]-2:Si-4:	Ge[3,3,4,4,5,5,6,6]-4:Ge[3,4,4,3x5,4x6]-5:Ge[3x4,4x5,4x6]-5:	Ge[3,3,4,4,5,3x6]-5:Ge[3x4,4x5,4x6]-5:Ge[3,4,5,5,3x6]-3:	Ge[3x4,4x5,4x6](Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6])(Ge[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[4,5,5,6,6]Ge[3,4,4,3x5,4x6])(SiSi3)	Ge[3,4,4,5,5,6](Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,3x6])(Ge[3,4,4,3x5,4x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]Si)(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[4,5,5,6,6]Si)	Ge[3,4,3x5,6,6](Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,5,5,3x6]Si)(Ge[3x4,4x5,4x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6]Si)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6])	Ge[3x4,4x5,4x6](Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6])(Ge[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[4,5,5,6,6]Ge[3,4,4,3x5,4x6])(SiSi3){2|Si<4>}	Ge[3,4,4,5,5,6](Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,3x6])(Ge[3,4,4,3x5,4x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]Si)(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[4,5,5,6,6]Si){1|Si<4>}	Ge[3,4,3x5,6,6](Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,5,5,3x6]Si)(Ge[3x4,4x5,4x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6]Si)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]){1|Si<4>}	115.3745	1.037	2	115.3745	1.076	2	115.3745	1.076	2	115.3745	1.076	2	114.6573	1.067	4	114.4630	0.509	8
686	938	938	5:SPD5_SP2_SP2	Ge[3x4,4x5,4x6]	Ge[3,4,4,5,5,6]	Ge[3,4,3x5,6,6]	3:3:3:2:4:	5:5:5:	4:5:4:	Ge[3,4,4,5,3x6]-3:Ge[3,4,4,5,5,6]-3:Ge[3,4,3x5,6,6]-3:Ge[4,5,5,6,6]-2:Si-4:	Ge[3,3,4,4,5,5,6,6]-5:Ge[3,4,4,3x5,4x6]-5:Ge[3x4,4x5,4x6]-5:	Ge[3,3,4,4,5,3x6]-4:Ge[3x4,4x5,4x6]-5:Ge[3,4,5,5,3x6]-4:	Ge[3x4,4x5,4x6](Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6])(Ge[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[4,5,5,6,6]Ge[3,4,4,3x5,4x6])(SiSi3)	Ge[3,4,4,5,5,6](Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,3x6]Si)(Ge[3,4,4,3x5,4x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]C)(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[4,5,5,6,6]Si)	Ge[3,4,3x5,6,6](Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[3x4,4x5,4x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6]Si)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Si)	Ge[3x4,4x5,4x6](Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6])(Ge[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[4,5,5,6,6]Ge[3,4,4,3x5,4x6])(SiSi3){2|Si<4>,1|C<4>}	Ge[3,4,4,5,5,6](Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,3x6]Si)(Ge[3,4,4,3x5,4x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]C)(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[4,5,5,6,6]Si){1|Si<4>}	Ge[3,4,3x5,6,6](Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[3x4,4x5,4x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6]Si)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Si){1|Si<4>,1|C<4>}	113.9400	0.259	2	113.9400	0.067	2	113.9400	0.067	2	113.9400	0.067	2	114.6573	1.067	4	114.4630	0.509	8
686	938	938	5:SPD5_SP2_SP2	Ge[4x4,4x5,4x6]	Ge[3,4,4,5,5,6,6]	Ge[3,4,4,5,5,6,6]	3:3:3:3:4:	5:4:5:	5:4:5:	Ge[3,4,4,5,5,6,6]-3:Ge[3,4,4,5,5,6,6]-3:Ge[3,4,4,5,5,6,6]-3:Ge[3,4,4,5,5,6,6]-3:Si-4:	Ge[3,3,4,4,5,5,3x6]-5:Ge[3,3,4,4,5,5,3x6]-4:Ge[4x4,4x5,4x6]-5:	Ge[3,3,4,4,5,5,3x6]-5:Ge[3,3,4,4,5,5,3x6]-4:Ge[4x4,4x5,4x6]-5:	Ge[4x4,4x5,4x6](Ge[3,4,4,5,5,6,6]Ge[3,3,4,4,5,5,3x6]2)4(SiSi3)	Ge[3,4,4,5,5,6,6](Ge[3,3,4,4,5,5,3x6]Ge[3,3,4,4,5,5,3x6]2Ge[3,4,4,5,5,6,6]Si)(Ge[3,3,4,4,5,5,3x6]Ge[3,3,4,4,5,5,3x6]2Ge[3,4,4,5,5,6,6])(Ge[4x4,4x5,4x6]Ge[3,4,4,5,5,6,6]3Si)	Ge[3,4,4,5,5,6,6](Ge[3,3,4,4,5,5,3x6]Ge[3,3,4,4,5,5,3x6]2Ge[3,4,4,5,5,6,6]Si)(Ge[3,3,4,4,5,5,3x6]Ge[3,3,4,4,5,5,3x6]2Ge[3,4,4,5,5,6,6])(Ge[4x4,4x5,4x6]Ge[3,4,4,5,5,6,6]3Si)	Ge[4x4,4x5,4x6](Ge[3,4,4,5,5,6,6]Ge[3,3,4,4,5,5,3x6]2)4(SiSi3){2|Si<4>}	Ge[3,4,4,5,5,6,6](Ge[3,3,4,4,5,5,3x6]Ge[3,3,4,4,5,5,3x6]2Ge[3,4,4,5,5,6,6]Si)(Ge[3,3,4,4,5,5,3x6]Ge[3,3,4,4,5,5,3x6]2Ge[3,4,4,5,5,6,6])(Ge[4x4,4x5,4x6]Ge[3,4,4,5,5,6,6]3Si){1|Si<4>}	Ge[3,4,4,5,5,6,6](Ge[3,3,4,4,5,5,3x6]Ge[3,3,4,4,5,5,3x6]2Ge[3,4,4,5,5,6,6]Si)(Ge[3,3,4,4,5,5,3x6]Ge[3,3,4,4,5,5,3x6]2Ge[3,4,4,5,5,6,6])(Ge[4x4,4x5,4x6]Ge[3,4,4,5,5,6,6]3Si){1|Si<4>}	114.2687	0.143	4	114.2687	0.021	4	114.2687	0.021	4	114.2687	0.021	4	114.2687	0.021	4	114.4630	0.509	8
686	938	938	6:SPD5_SP2_SP2	Ge[3x4,4x5,4x6]	Ge[3,4,4,5,3x6]	Ge[3,4,3x5,6,6]	3:3:3:2:4:	5:4:5:	4:5:4:	Ge[3,4,4,5,3x6]-3:Ge[3,4,4,5,5,6]-3:Ge[3,4,3x5,6,6]-3:Ge[4,5,5,6,6]-2:Si-4:	Ge[3,3,4,4,5,5,6,6]-5:Ge[3,3,4,4,5,3x6]-4:Ge[3x4,4x5,4x6]-5:	Ge[3,3,4,4,5,3x6]-4:Ge[3x4,4x5,4x6]-5:Ge[3,4,5,5,3x6]-4:	Ge[3x4,4x5,4x6](Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6])(Ge[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[4,5,5,6,6]Ge[3,4,4,3x5,4x6])(SiSi3)	Ge[3,4,4,5,3x6](Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,5,6]Si)(Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6])(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6]Si)	Ge[3,4,3x5,6,6](Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[3x4,4x5,4x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6]Si)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Si)	Ge[3x4,4x5,4x6](Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6])(Ge[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[4,5,5,6,6]Ge[3,4,4,3x5,4x6])(SiSi3){2|Si<4>,1|C<4>}	Ge[3,4,4,5,3x6](Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,5,6]Si)(Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6])(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6]Si){1|Si<4>,1|C<4>}	Ge[3,4,3x5,6,6](Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[3x4,4x5,4x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6]Si)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Si){1|Si<4>,1|C<4>}	68.6562	0.274	2	68.6562	0.075	2	68.6562	0.075	2	68.6562	0.075	2	74.9626	119.349	3	78.3467	130.213	16
686	938	938	6:SPD5_SP2_SP2	Ge[3x4,4x5,4x6]	Ge[3,4,4,5,3x6]	Ge[3,4,3x5,6,6]	3:3:3:2:4:	5:4:5:	5:5:3:	Ge[3,4,4,5,3x6]-3:Ge[3,4,4,5,5,6]-3:Ge[3,4,3x5,6,6]-3:Ge[4,5,5,6,6]-2:Si-4:	Ge[3,3,4,4,5,3x6]-5:Ge[3,3,4,4,5,5,6,6]-4:Ge[3x4,4x5,4x6]-5:	Ge[3,3,4,4,5,3x6]-5:Ge[3x4,4x5,4x6]-5:Ge[3,4,5,5,3x6]-3:	Ge[3x4,4x5,4x6](Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6])(Ge[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[4,5,5,6,6]Ge[3,4,4,3x5,4x6])(SiSi3)	Ge[3,4,4,5,3x6](Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6]Si)(Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,5,6])(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6]Si)	Ge[3,4,3x5,6,6](Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,5,5,3x6]Si)(Ge[3x4,4x5,4x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6]Si)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6])	Ge[3x4,4x5,4x6](Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6])(Ge[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[4,5,5,6,6]Ge[3,4,4,3x5,4x6])(SiSi3){2|Si<4>}	Ge[3,4,4,5,3x6](Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6]Si)(Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,5,6])(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6]Si){1|Si<4>}	Ge[3,4,3x5,6,6](Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,3x6]Ge[3,4,5,5,3x6]Si)(Ge[3x4,4x5,4x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6]Si)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]){1|Si<4>}	87.5754	0.000	1	87.5754	0.000	1	87.5754	0.000	1	87.5754	0.000	1	74.9626	119.349	3	78.3467	130.213	16
686	938	938	6:SPD5_SP2_SP2	Ge[3x4,4x5,4x6]	Ge[3,4,4,5,3x6]	Ge[3,4,4,5,5,6]	3:3:3:2:4:	5:4:5:	4:5:5:	Ge[3,4,4,5,3x6]-3:Ge[3,4,4,5,5,6]-3:Ge[3,4,3x5,6,6]-3:Ge[4,5,5,6,6]-2:Si-4:	Ge[3,3,4,4,5,3x6]-5:Ge[3,3,4,4,5,5,6,6]-4:Ge[3x4,4x5,4x6]-5:	Ge[3,3,4,4,5,5,6,6]-4:Ge[3,4,4,3x5,4x6]-5:Ge[3x4,4x5,4x6]-5:	Ge[3x4,4x5,4x6](Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6])(Ge[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[4,5,5,6,6]Ge[3,4,4,3x5,4x6])(SiSi3)	Ge[3,4,4,5,3x6](Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6]Si)(Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,5,6])(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6]Si)	Ge[3,4,4,5,5,6](Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,3x6])(Ge[3,4,4,3x5,4x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]Si)(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[4,5,5,6,6]Si)	Ge[3x4,4x5,4x6](Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6])(Ge[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[4,5,5,6,6]Ge[3,4,4,3x5,4x6])(SiSi3){2|Si<4>}	Ge[3,4,4,5,3x6](Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6]Si)(Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,5,6])(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6]Si){1|Si<4>}	Ge[3,4,4,5,5,6](Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,3x6])(Ge[3,4,4,3x5,4x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]Si)(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[4,5,5,6,6]Si){1|Si<4>}	65.2849	2.902	2	65.2849	8.420	2	65.2849	8.420	2	65.2849	8.420	2	68.4733	34.708	3	78.3467	130.213	16
686	938	938	6:SPD5_SP2_SP2	Ge[3x4,4x5,4x6]	Ge[3,4,4,5,3x6]	Ge[3,4,4,5,5,6]	3:3:3:2:4:	5:4:5:	5:5:5:	Ge[3,4,4,5,3x6]-3:Ge[3,4,4,5,5,6]-3:Ge[3,4,3x5,6,6]-3:Ge[4,5,5,6,6]-2:Si-4:	Ge[3,3,4,4,5,5,6,6]-5:Ge[3,3,4,4,5,3x6]-4:Ge[3x4,4x5,4x6]-5:	Ge[3,3,4,4,5,5,6,6]-5:Ge[3,4,4,3x5,4x6]-5:Ge[3x4,4x5,4x6]-5:	Ge[3x4,4x5,4x6](Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6])(Ge[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[4,5,5,6,6]Ge[3,4,4,3x5,4x6])(SiSi3)	Ge[3,4,4,5,3x6](Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,5,6]Si)(Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6])(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6]Si)	Ge[3,4,4,5,5,6](Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,3x6]Si)(Ge[3,4,4,3x5,4x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]C)(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[4,5,5,6,6]Si)	Ge[3x4,4x5,4x6](Ge[3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6])(Ge[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,3x5,4x6])(Ge[3,4,3x5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,5,5,3x6])(Ge[4,5,5,6,6]Ge[3,4,4,3x5,4x6])(SiSi3){2|Si<4>,1|C<4>}	Ge[3,4,4,5,3x6](Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,5,6]Si)(Ge[3,3,4,4,5,3x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,3x5,6,6]Ge[3,4,5,5,3x6])(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,5,6]Ge[4,5,5,6,6]Si){1|Si<4>,1|C<4>}	Ge[3,4,4,5,5,6](Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,3x5,4x6]Ge[3,4,4,5,3x6]Si)(Ge[3,4,4,3x5,4x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]C)(Ge[3x4,4x5,4x6]Ge[3,4,3x5,6,6]Ge[3,4,4,5,3x6]Ge[4,5,5,6,6]Si){1|Si<4>}	74.8501	0.000	1	74.8501	0.000	1	74.8501	0.000	1	74.8501	0.000	1	68.4733	34.708	3	78.3467	130.213	16
686	938	938	6:SPD5_SP2_SP2	Ge[4,4,4x5,5x6]	Ge[3,4,5,5,3x6]	Ge[3,4,5,5,3x6]	3:3:2:2:4:	5:3:5:	5:3:5:	Ge[3,4,5,5,3x6]-3:Ge[3,4,5,5,3x6]-3:Ge[4,5,5,6,6]-2:Ge[4,5,5,6,6]-2:Si-4:	Ge[4,4,4x5,5x6]-5:Ge[3,4,5,5,3x6]-3:Ge[3,3,4,4,4x6]-5:	Ge[4,4,4x5,5x6]-5:Ge[3,4,5,5,3x6]-3:Ge[3,3,4,4,4x6]-5:	Ge[4,4,4x5,5x6](Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6])2(Ge[4,5,5,6,6]Ge[4,4,4x5,5x6])2(SiSi3)	Ge[3,4,5,5,3x6](Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]2Si)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[4,4,4x5,5x6])(Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6]3Si)	Ge[3,4,5,5,3x6](Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]2Si)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[4,4,4x5,5x6])(Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6]3Si)	Ge[4,4,4x5,5x6](Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6])2(Ge[4,5,5,6,6]Ge[4,4,4x5,5x6])2(SiSi3){2|Si<4>}	Ge[3,4,5,5,3x6](Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]2Si)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[4,4,4x5,5x6])(Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6]3Si){1|Si<4>}	Ge[3,4,5,5,3x6](Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6]2Si)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[4,4,4x5,5x6])(Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6]3Si){1|Si<4>}	91.0366	4.280	3	91.0366	18.314	3	91.0366	18.314	3	91.0366	18.314	3	93.6239	38.987	4	78.3467	130.213	16
686	938	938	6:SPD5_SP2_SP2	Ge[4,4,4x5,5x6]	Ge[3,4,5,5,3x6]	Ge[3,4,5,5,3x6]	5:3:3:2:2:	5:3:4:	5:3:4:	Ge[4,4,4x5,5x6]-5:Ge[3,4,5,5,3x6]-3:Ge[3,4,5,5,3x6]-3:Ge[4,5,5,6,6]-2:Ge[4,5,5,6,6]-2:	Ge[4,4,4x5,5x6]-5:Ge[3,4,5,5,3x6]-3:Ge[3,3,4,4,4x6]-4:	Ge[4,4,4x5,5x6]-5:Ge[3,4,5,5,3x6]-3:Ge[3,3,4,4,4x6]-4:	Ge[4,4,4x5,5x6](Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]2Ge[4,5,5,6,6]2)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6])2(Ge[4,5,5,6,6]Ge[4,4,4x5,5x6])2	Ge[3,4,5,5,3x6](Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]Ge[4,4,4x5,5x6]Ge[4,5,5,6,6]2)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[4,4,4x5,5x6])(Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6]3)	Ge[3,4,5,5,3x6](Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]Ge[4,4,4x5,5x6]Ge[4,5,5,6,6]2)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[4,4,4x5,5x6])(Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6]3)	Ge[4,4,4x5,5x6](Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]2Ge[4,5,5,6,6]2)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6])2(Ge[4,5,5,6,6]Ge[4,4,4x5,5x6])2{2|Ge<3>,2|Ge<4>}	Ge[3,4,5,5,3x6](Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]Ge[4,4,4x5,5x6]Ge[4,5,5,6,6]2)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[4,4,4x5,5x6])(Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6]3){2|Ge<2>,2|Ge<3>}	Ge[3,4,5,5,3x6](Ge[4,4,4x5,5x6]Ge[3,4,5,5,3x6]Ge[4,4,4x5,5x6]Ge[4,5,5,6,6]2)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,4x6]Ge[4,4,4x5,5x6])(Ge[3,3,4,4,4x6]Ge[3,4,5,5,3x6]3){2|Ge<2>,2|Ge<3>}	101.3860	0.000	1	101.3860	0.000	1	101.3860	0.000	1	101.3860	0.000	1	93.6239	38.987	4	78.3467	130.213	16
686	938	938	6:SPD5_SP2_SP2	Ge[4x4,4x5,4x6]	Ge[3,4,4,5,5,6,6]	Ge[3,4,4,5,5,6,6]	3:3:3:3:4:	5:4:5:	5:4:5:	Ge[3,4,4,5,5,6,6]-3:Ge[3,4,4,5,5,6,6]-3:Ge[3,4,4,5,5,6,6]-3:Ge[3,4,4,5,5,6,6]-3:Si-4:	Ge[3,3,4,4,5,5,3x6]-5:Ge[3,3,4,4,5,5,3x6]-4:Ge[4x4,4x5,4x6]-5:	Ge[3,3,4,4,5,5,3x6]-5:Ge[3,3,4,4,5,5,3x6]-4:Ge[4x4,4x5,4x6]-5:	Ge[4x4,4x5,4x6](Ge[3,4,4,5,5,6,6]Ge[3,3,4,4,5,5,3x6]2)4(SiSi3)	Ge[3,4,4,5,5,6,6](Ge[3,3,4,4,5,5,3x6]Ge[3,3,4,4,5,5,3x6]2Ge[3,4,4,5,5,6,6]Si)(Ge[3,3,4,4,5,5,3x6]Ge[3,3,4,4,5,5,3x6]2Ge[3,4,4,5,5,6,6])(Ge[4x4,4x5,4x6]Ge[3,4,4,5,5,6,6]3Si)	Ge[3,4,4,5,5,6,6](Ge[3,3,4,4,5,5,3x6]Ge[3,3,4,4,5,5,3x6]2Ge[3,4,4,5,5,6,6]Si)(Ge[3,3,4,4,5,5,3x6]Ge[3,3,4,4,5,5,3x6]2Ge[3,4,4,5,5,6,6])(Ge[4x4,4x5,4x6]Ge[3,4,4,5,5,6,6]3Si)	Ge[4x4,4x5,4x6](Ge[3,4,4,5,5,6,6]Ge[3,3,4,4,5,5,3x6]2)4(SiSi3){2|Si<4>}	Ge[3,4,4,5,5,6,6](Ge[3,3,4,4,5,5,3x6]Ge[3,3,4,4,5,5,3x6]2Ge[3,4,4,5,5,6,6]Si)(Ge[3,3,4,4,5,5,3x6]Ge[3,3,4,4,5,5,3x6]2Ge[3,4,4,5,5,6,6])(Ge[4x4,4x5,4x6]Ge[3,4,4,5,5,6,6]3Si){1|Si<4>}	Ge[3,4,4,5,5,6,6](Ge[3,3,4,4,5,5,3x6]Ge[3,3,4,4,5,5,3x6]2Ge[3,4,4,5,5,6,6]Si)(Ge[3,3,4,4,5,5,3x6]Ge[3,3,4,4,5,5,3x6]2Ge[3,4,4,5,5,6,6])(Ge[4x4,4x5,4x6]Ge[3,4,4,5,5,6,6]3Si){1|Si<4>}	74.7906	6.195	6	74.7906	38.374	6	74.7906	38.374	6	74.7906	38.374	6	74.7906	38.374	6	78.3467	130.213	16
686	980	980	5:SPD5_SP3_SP3	Ge[4,5,5]	N[4,5,5]	N[4,5,5]	4:4:3:3:1:	5:5:4:4:	5:5:4:4:	N[4,5,5]-4:N[4,5,5]-4:N[5]-3:N[5]-3:Cl-1:	Ge[4,5,5]-5:Ge[4,5,5]-5:C[5]-4:C[5]-4:	Ge[4,5,5]-5:Ge[4,5,5]-5:C[5]-4:C[5]-4:	Ge[4,5,5](N[4,5,5]Ge[4,5,5]C[5]2)2(N[5]C[5]Si)2(Cl)	N[4,5,5](Ge[4,5,5]N[4,5,5]N[5]2Cl)2(C[5]C[5]HH)2	N[4,5,5](Ge[4,5,5]N[4,5,5]N[5]2Cl)2(C[5]C[5]HH)2	Ge[4,5,5](N[4,5,5]Ge[4,5,5]C[5]2)2(N[5]C[5]Si)2(Cl){12|H<1>,1|Cl<1>,2|C<4>,2|N<3>}	N[4,5,5](Ge[4,5,5]N[4,5,5]N[5]2Cl)2(C[5]C[5]HH)2{4|Si<4>,4|C<4>,4|H<1>}	N[4,5,5](Ge[4,5,5]N[4,5,5]N[5]2Cl)2(C[5]C[5]HH)2{4|Si<4>,4|C<4>,4|H<1>}	80.0042	0.000	1	80.0042	0.000	1	80.0042	0.000	1	80.0042	0.000	1	80.0042	0.000	1	80.0042	0.000	1
690	474	474	0:SP-NON_SP3_SP3	Ga	C[5]	C[5]	4:4:	3:3:2:4:	3:3:2:4:	C[5]-4:C[5]-4:	C[5]-3:C[5]-3:Ga-2:C-4:	C[5]-3:C[5]-3:Ga-2:C-4:	Ga(C[5]C[5]2C)2	C[5](C[5]C[5]C)2(GaC[5])(CH3)	C[5](C[5]C[5]C)2(GaC[5])(CH3)	Ga(C[5]C[5]2C)2	C[5](C[5]C[5]C)2(GaC[5])(CH3){2|C<4>}	C[5](C[5]C[5]C)2(GaC[5])(CH3){2|C<4>}	148.9975	11.894	2	148.9975	141.473	2	148.9975	141.473	2	148.9975	141.473	2	148.9975	141.473	2	148.9975	141.473	2
690	474	984	0:SP-NON_SP-NON_SP3	Ga	C[5]	Ga	4:4:	3:3:2:1:	2:1:1:1:	C[5]-4:Ga-4:	C[5]-3:C[5]-3:Ga-2:H-1:	Ga-2:I-1:I-1:I-1:	Ga(C[5]C[5]2H)(GaI3)	C[5](C[5]C[5]C)2(GaGa)(H)	Ga(GaC[5])(I)3	Ga(C[5]C[5]2H)(GaI3)	C[5](C[5]C[5]C)2(GaGa)(H){1|C<4>,1|H<1>}	Ga(GaC[5])(I)3	156.7710	0.000	1	156.7710	0.000	1	156.7710	0.000	1	156.7710	0.000	1	156.7710	0.000	1	156.7710	0.000	1
690	610	643	0:SP-NON_SP2_SP3	Ga	B	C[6a]	3:4:	3:3:3:2:	3:3:2:	C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:Ga-2:	C[6a]-3:C[6a]-3:Ga-2:	Ga(C[6a]C[6a]2)(BC[6a]3)	B(C[6a]C[6a]2)3(GaC[6a])	C[6a](C[6a]C[6a]2)2(GaB)	Ga(C[6a]C[6a]2)(BC[6a]3)	B(C[6a]C[6a]2)3(GaC[6a])	C[6a](C[6a]C[6a]2)2(GaB){2|H<1>,5|C<3>}	174.5525	1.691	4	174.5525	2.861	4	174.5525	2.861	4	174.5525	2.861	4	174.5525	2.861	4	174.5525	2.861	4
690	643	643	0:SP-NON_SP2_SP2	Ga	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Ga-2:	C[6a]-3:C[6a]-3:Ga-2:	Ga(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]2)2(GaC[6a])	C[6a](C[6a]C[6a]2)2(GaC[6a])	Ga(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]2)2(GaC[6a]){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)2(GaC[6a]){2|H<1>,5|C<3>}	173.8640	0.000	1	173.8640	0.000	1	173.8640	0.000	1	173.8640	0.000	1	173.8640	0.000	1	173.8640	0.000	1
690	643	969	0:SP-NON_SP-NON_SP2	Ga	C[6a]	Ga	3:3:	3:3:2:	3:2:4:	C[6a]-3:Ga-3:	C[6a]-3:C[6a]-3:Ga-2:	C[6a]-3:Ga-2:C-4:	Ga(C[6a]C[6a]2)(GaC[6a]C)	C[6a](C[6a]C[6a]2)2(GaGa)	Ga(C[6a]C[6a]2)(GaC[6a])(CCCH)	Ga(C[6a]C[6a]2)(GaC[6a]C)	C[6a](C[6a]C[6a]2)2(GaGa){2|H<1>,5|C<3>}	Ga(C[6a]C[6a]2)(GaC[6a])(CCCH)	138.1340	0.000	1	138.1340	0.000	1	138.1340	0.000	1	138.1340	0.000	1	138.1340	0.000	1	138.1340	0.000	1
690	979	979	0:SP-NON_SP2_SP2	Ga	Si	Si	3:3:	4:4:2:	4:4:2:	Si-3:Si-3:	Si-4:Si-4:Ga-2:	Si-4:Si-4:Ga-2:	Ga(SiSi2)2	Si(SiC3)2(GaSi)	Si(SiC3)2(GaSi)	Ga(SiSi2)2	Si(SiC3)2(GaSi)	Si(SiC3)2(GaSi)	161.6140	0.000	1	161.6140	0.000	1	161.6140	0.000	1	161.6140	0.000	1	161.6140	0.000	1	161.6140	0.000	1
694	74	74	4:SP2_SP2_SP2	B[4]	N[4]	N[4]	3:3:3:	3:3:4:	3:3:4:	N[4]-3:N[4]-3:N-3:	C[4]-3:B[4]-3:C-4:	C[4]-3:B[4]-3:C-4:	B[4](N[4]C[4]C)2(NCC)	N[4](C[4]C[6a]N[4])(B[4]N[4]N)(CCCH)	N[4](C[4]C[6a]N[4])(B[4]N[4]N)(CCCH)	B[4](N[4]C[4]C)2(NCC){1|C<3>}	N[4](C[4]C[6a]N[4])(B[4]N[4]N)(CCCH){1|C<4>,2|C<3>}	N[4](C[4]C[6a]N[4])(B[4]N[4]N)(CCCH){1|C<4>,2|C<3>}	85.6319	0.000	1	85.6319	0.000	1	85.6319	0.000	1	85.6319	0.000	1	90.5782	59.101	4	90.5782	59.101	4
694	74	74	4:SP2_SP2_SP2	B[4]	N[4]	N[4]	3:3:3:	3:4:3:	3:4:3:	N[4]-3:N[4]-3:N-3:	C[4]-3:C[6]-4:B[4]-3:	C[4]-3:C[6]-4:B[4]-3:	B[4](N[4]C[4]C[6])2(NCC)	N[4](C[4]C[6a]N[4])(C[6]C[6]2H)(B[4]N[4]N)	N[4](C[4]C[6a]N[4])(C[6]C[6]2H)(B[4]N[4]N)	B[4](N[4]C[4]C[6])2(NCC){1|C<3>,2|H<1>,4|C<4>}	N[4](C[4]C[6a]N[4])(C[6]C[6]2H)(B[4]N[4]N){2|C<3>,3|C<4>,4|H<1>}	N[4](C[4]C[6a]N[4])(C[6]C[6]2H)(B[4]N[4]N){2|C<3>,3|C<4>,4|H<1>}	86.1174	0.000	1	86.1174	0.000	1	86.1174	0.000	1	86.1174	0.000	1	90.5782	59.101	4	90.5782	59.101	4
694	74	74	4:SP2_SP2_SP2	B[4]	N[4]	N[4]	3:3:3:	3:4:4:	3:4:4:	N[4]-3:N[4]-3:C[6a]-3:	B[4]-3:As[4,4]-4:C-4:	B[4]-3:As[4,4]-4:C-4:	B[4](N[4]As[4,4]C)2(C[6a]C[6a]2)	N[4](B[4]C[6a]N[4])(As[4,4]N[4]3)(CC3)	N[4](B[4]C[6a]N[4])(As[4,4]N[4]3)(CC3)	B[4](N[4]As[4,4]C)2(C[6a]C[6a]2){2|C<3>,2|H<1>,2|N<3>}	N[4](B[4]C[6a]N[4])(As[4,4]N[4]3)(CC3){1|B<4>,2|C<3>,3|C<4>}	N[4](B[4]C[6a]N[4])(As[4,4]N[4]3)(CC3){1|B<4>,2|C<3>,3|C<4>}	101.9410	0.000	1	101.9410	0.000	1	101.9410	0.000	1	101.9410	0.000	1	90.5782	59.101	4	90.5782	59.101	4
694	74	74	4:SP2_SP2_SP2	B[4]	N[4]	N[4]	3:3:4:	4:3:3:	4:3:3:	N[4]-3:N[4]-3:C-4:	C[6]-4:C[4]-3:B[4]-3:	C[6]-4:C[4]-3:B[4]-3:	B[4](N[4]C[4]C[6])2(CC3)	N[4](C[6]C[6]2H)(C[4]N[4]Mn)(B[4]N[4]C)	N[4](C[6]C[6]2H)(C[4]N[4]Mn)(B[4]N[4]C)	B[4](N[4]C[4]C[6])2(CC3){1|Mn<8>,2|H<1>,4|C<4>}	N[4](C[6]C[6]2H)(C[4]N[4]Mn)(B[4]N[4]C){3|C<4>,4|H<1>}	N[4](C[6]C[6]2H)(C[4]N[4]Mn)(B[4]N[4]C){3|C<4>,4|H<1>}	88.6227	0.000	1	88.6227	0.000	1	88.6227	0.000	1	88.6227	0.000	1	90.5782	59.101	4	90.5782	59.101	4
694	74	74	4:SP2_SP2_SP3	B[4]	N[4]	N[4]	3:3:3:	3:3:3:	3:3:3:	N[4]-3:N[4]-3:C[6a]-3:	B[4]-3:C[6a]-3:P[4]-3:	B[4]-3:C[6a]-3:P[4]-3:	B[4](N[4]C[6a]P[4])2(C[6a]C[6a]2)	N[4](B[4]C[6a]N[4])(C[6a]C[6a]2)(P[4]N[4]Cl)	N[4](B[4]C[6a]N[4])(C[6a]C[6a]2)(P[4]N[4]Cl)	B[4](N[4]C[6a]P[4])2(C[6a]C[6a]2){1|Cl<1>,2|H<1>,6|C<3>}	N[4](B[4]C[6a]N[4])(C[6a]C[6a]2)(P[4]N[4]Cl){2|C<4>,5|C<3>}	N[4](B[4]C[6a]N[4])(C[6a]C[6a]2)(P[4]N[4]Cl){2|C<4>,5|C<3>}	97.9976	0.000	1	97.9976	0.000	1	97.9976	0.000	1	100.5338	12.865	2	100.5338	12.865	2	100.5338	12.865	2
694	74	74	4:SP2_SP2_SP3	B[4]	N[4]	N[4]	3:3:3:	3:3:3:	3:3:3:	N[4]-3:N[4]-3:N-3:	Ge[4]-3:C[6a]-3:B[4]-3:	Ge[4]-3:C[6a]-3:B[4]-3:	B[4](N[4]C[6a]Ge[4])2(NCC)	N[4](Ge[4]N[4]N[6])(C[6a]C[6a]2)(B[4]N[4]N)	N[4](Ge[4]N[4]N[6])(C[6a]C[6a]2)(B[4]N[4]N)	B[4](N[4]C[6a]Ge[4])2(NCC){1|N<3>,4|C<3>}	N[4](Ge[4]N[4]N[6])(C[6a]C[6a]2)(B[4]N[4]N){2|C<4>,5|C<3>}	N[4](Ge[4]N[4]N[6])(C[6a]C[6a]2)(B[4]N[4]N){2|C<4>,5|C<3>}	103.0700	0.000	1	103.0700	0.000	1	103.0700	0.000	1	100.5338	12.865	2	100.5338	12.865	2	100.5338	12.865	2
694	74	74	4:SP2_SP3_SP3	B[4]	N[4]	N[4]	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:N[4]-3:N[4]-3:	B[4]-3:As[4]-3:C-4:	B[4]-3:As[4]-3:C-4:	B[4](C[6a]C[6a]2)(N[4]As[4]C)2	N[4](B[4]C[6a]N[4])(As[4]N[4]Cl)(CC3)	N[4](B[4]C[6a]N[4])(As[4]N[4]Cl)(CC3)	B[4](C[6a]C[6a]2)(N[4]As[4]C)2{1|Cl<1>,2|C<3>,2|H<1>}	N[4](B[4]C[6a]N[4])(As[4]N[4]Cl)(CC3){1|C<4>,2|C<3>}	N[4](B[4]C[6a]N[4])(As[4]N[4]Cl)(CC3){1|C<4>,2|C<3>}	100.9460	0.000	1	100.9460	0.000	1	100.9460	0.000	1	100.9460	0.000	1	100.9460	0.000	1	100.9460	0.000	1
694	74	478	4:SP2_SP2_SP3	B[4]	N[4]	C[4,5]	4:3:3:	3:3:4:	3:4:3:3:	C[4,5]-4:N[4]-3:B-3:	B[4]-3:C[4]-3:C[6]-4:	N[5]-3:C[5]-4:B[4]-3:C[4]-3:	B[4](C[4,5]C[4]C[5]N[5])(N[4]C[4]C[6])(BNN)	N[4](B[4]C[4,5]B)(C[4]C[4,5]N)(C[6]C[6]2H)	C[4,5](N[5]C[6a]C[5])(C[5]C[5]CC)(B[4]N[4]B)(C[4]N[4]N)	B[4](C[4,5]C[4]C[5]N[5])(N[4]C[4]C[6])(BNN){1|C<3>,1|H<1>,1|N<2>,6|C<4>}	N[4](B[4]C[4,5]B)(C[4]C[4,5]N)(C[6]C[6]2H){1|N<3>,3|C<4>,4|H<1>}	C[4,5](N[5]C[6a]C[5])(C[5]C[5]CC)(B[4]N[4]B)(C[4]N[4]N){2|C<3>,2|H<1>,3|C<4>}	88.7529	0.000	1	88.7529	0.000	1	88.7529	0.000	1	88.7529	0.000	1	88.7529	0.000	1	88.7529	0.000	1
694	74	490	0:SP2_SP2_SP3	B[4]	N[4]	C	3:3:4:	4:3:3:	3:4:4:4:	N[4]-3:N[4]-3:C-4:	C[6]-4:C[4]-3:B[4]-3:	B[4]-3:C-4:C-4:C-4:	B[4](N[4]C[4]C[6])2(CC3)	N[4](C[6]C[6]2H)(C[4]N[4]Mn)(B[4]N[4]C)	C(B[4]N[4]2)(CH3)3	B[4](N[4]C[4]C[6])2(CC3){1|Mn<8>,2|H<1>,4|C<4>}	N[4](C[6]C[6]2H)(C[4]N[4]Mn)(B[4]N[4]C){3|C<4>,4|H<1>}	C(B[4]N[4]2)(CH3)3	135.6005	2.289	2	135.6005	5.239	2	135.6005	5.239	2	135.6005	5.239	2	135.6005	5.239	2	135.6005	5.239	2
694	74	643	0:SP2_SP2_SP2	B[4]	N[4]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[4]-3:N[4]-3:C[6a]-3:	B[4]-3:C[6a]-3:P[4]-3:	C[6a]-3:C[6a]-3:B[4]-3:	B[4](N[4]C[6a]P[4])2(C[6a]C[6a]2)	N[4](B[4]C[6a]N[4])(C[6a]C[6a]2)(P[4]N[4]Cl)	C[6a](C[6a]C[6a]H)2(B[4]N[4]2)	B[4](N[4]C[6a]P[4])2(C[6a]C[6a]2){1|Cl<1>,2|H<1>,6|C<3>}	N[4](B[4]C[6a]N[4])(C[6a]C[6a]2)(P[4]N[4]Cl){2|C<4>,5|C<3>}	C[6a](C[6a]C[6a]H)2(B[4]N[4]2){1|P<3>,2|H<1>,3|C<3>}	131.7270	0.000	1	131.7270	0.000	1	131.7270	0.000	1	131.7270	0.000	1	129.9127	2.607	3	129.9127	2.607	3
694	74	643	0:SP2_SP2_SP2	B[4]	N[4]	C[6a]	3:3:3:	3:4:4:	3:3:3:	N[4]-3:N[4]-3:C[6a]-3:	B[4]-3:As[4,4]-4:C-4:	C[6a]-3:C[6a]-3:B[4]-3:	B[4](N[4]As[4,4]C)2(C[6a]C[6a]2)	N[4](B[4]C[6a]N[4])(As[4,4]N[4]3)(CC3)	C[6a](C[6a]C[6a]H)2(B[4]N[4]2)	B[4](N[4]As[4,4]C)2(C[6a]C[6a]2){2|C<3>,2|H<1>,2|N<3>}	N[4](B[4]C[6a]N[4])(As[4,4]N[4]3)(CC3){1|B<4>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]H)2(B[4]N[4]2){1|As<4>,1|C<3>,2|C<4>,2|H<1>}	129.0055	0.525	2	129.0055	0.276	2	129.0055	0.276	2	129.0055	0.276	2	129.9127	2.607	3	129.9127	2.607	3
694	74	643	0:SP2_SP2_SP3	B[4]	N[4]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[4]-3:N[4]-3:C[6a]-3:	B[4]-3:C[6a]-3:P[4]-3:	C[6a]-3:C[6a]-3:B[4]-3:	B[4](N[4]C[6a]P[4])2(C[6a]C[6a]2)	N[4](B[4]C[6a]N[4])(C[6a]C[6a]2)(P[4]N[4]Cl)	C[6a](C[6a]C[6a]H)2(B[4]N[4]2)	B[4](N[4]C[6a]P[4])2(C[6a]C[6a]2){1|Cl<1>,2|H<1>,6|C<3>}	N[4](B[4]C[6a]N[4])(C[6a]C[6a]2)(P[4]N[4]Cl){2|C<4>,5|C<3>}	C[6a](C[6a]C[6a]H)2(B[4]N[4]2){1|P<3>,2|H<1>,3|C<3>}	130.1150	0.000	1	130.1150	0.000	1	130.1150	0.000	1	130.1150	0.000	1	129.6473	0.238	3	129.6473	0.238	3
694	74	643	0:SP2_SP2_SP3	B[4]	N[4]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:N[4]-3:N[4]-3:	B[4]-3:As[4]-3:C-4:	C[6a]-3:C[6a]-3:B[4]-3:	B[4](C[6a]C[6a]2)(N[4]As[4]C)2	N[4](B[4]C[6a]N[4])(As[4]N[4]Cl)(CC3)	C[6a](C[6a]C[6a]H)2(B[4]N[4]2)	B[4](C[6a]C[6a]2)(N[4]As[4]C)2{1|Cl<1>,2|C<3>,2|H<1>}	N[4](B[4]C[6a]N[4])(As[4]N[4]Cl)(CC3){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]H)2(B[4]N[4]2){1|As<3>,1|C<3>,2|C<4>,2|H<1>}	129.4135	0.384	2	129.4135	0.147	2	129.4135	0.147	2	129.4135	0.147	2	129.6473	0.238	3	129.6473	0.238	3
694	74	770	0:SP2_SP2_SP2	B[4]	N[4]	B	4:3:3:	3:3:4:	3:3:3:	C[4,5]-4:N[4]-3:B-3:	B[4]-3:C[4]-3:C[6]-4:	B[4]-3:N-3:N-3:	B[4](C[4,5]C[4]C[5]N[5])(N[4]C[4]C[6])(BNN)	N[4](B[4]C[4,5]B)(C[4]C[4,5]N)(C[6]C[6]2H)	B(B[4]C[4,5]N[4])(NCC)2	B[4](C[4,5]C[4]C[5]N[5])(N[4]C[4]C[6])(BNN){1|C<3>,1|H<1>,1|N<2>,6|C<4>}	N[4](B[4]C[4,5]B)(C[4]C[4,5]N)(C[6]C[6]2H){1|N<3>,3|C<4>,4|H<1>}	B(B[4]C[4,5]N[4])(NCC)2	128.7630	0.000	1	128.7630	0.000	1	128.7630	0.000	1	128.7630	0.000	1	128.7630	0.000	1	128.7630	0.000	1
694	74	846	4:SP2_SP2_SP2	B[4]	N[4]	C[4]	3:3:3:	3:3:3:	3:3:2:	N[4]-3:C[4]-3:N-3:	C[6a]-3:C[4]-3:B[4]-3:	C[4]-3:B[4]-3:N-2:	B[4](N[4]C[6a]C[4])(C[4]C[4]N)(NSi2)	N[4](C[6a]C[6a]2)(C[4]C[4]Cr)(B[4]C[4]N)	C[4](C[4]N[4]Cr)(B[4]N[4]N)(NC[6a])	B[4](N[4]C[6a]C[4])(C[4]C[4]N)(NSi2){1|Cr<6>,2|C<3>}	N[4](C[6a]C[6a]2)(C[4]C[4]Cr)(B[4]C[4]N){1|N<2>,2|C<3>,2|C<4>}	C[4](C[4]N[4]Cr)(B[4]N[4]N)(NC[6a]){1|C<3>}	83.0736	0.200	6	83.0736	0.040	6	83.0736	0.040	6	83.0736	0.040	6	83.0736	0.040	6	83.0736	0.040	6
694	74	956	0:SP2_SP2_SP2	B[4]	N[4]	N	3:3:3:	3:3:3:	3:4:4:	N[4]-3:C[4]-3:N-3:	C[6a]-3:C[4]-3:B[4]-3:	B[4]-3:Si-4:Si-4:	B[4](N[4]C[6a]C[4])(C[4]C[4]N)(NSi2)	N[4](C[6a]C[6a]2)(C[4]C[4]Cr)(B[4]C[4]N)	N(B[4]C[4]N[4])(SiC3)2	B[4](N[4]C[6a]C[4])(C[4]C[4]N)(NSi2){1|Cr<6>,2|C<3>}	N[4](C[6a]C[6a]2)(C[4]C[4]Cr)(B[4]C[4]N){1|N<2>,2|C<3>,2|C<4>}	N(B[4]C[4]N[4])(SiC3)2	134.0257	0.446	6	134.0257	0.199	6	134.0257	0.199	6	133.8584	0.362	7	134.6905	4.912	12	134.6905	4.912	12
694	74	956	0:SP2_SP2_SP2	B[4]	N[4]	N	3:3:3:	3:3:3:	3:4:4:	N[4]-3:N[4]-3:N-3:	Ge[4]-3:C[6a]-3:B[4]-3:	B[4]-3:C-4:C-4:	B[4](N[4]C[6a]Ge[4])2(NCC)	N[4](Ge[4]N[4]N[6])(C[6a]C[6a]2)(B[4]N[4]N)	N(B[4]N[4]2)(CCCH)2	B[4](N[4]C[6a]Ge[4])2(NCC){1|N<3>,4|C<3>}	N[4](Ge[4]N[4]N[6])(C[6a]C[6a]2)(B[4]N[4]N){2|C<4>,5|C<3>}	N(B[4]N[4]2)(CCCH)2	132.8550	0.000	1	132.8550	0.000	1	132.8550	0.000	1	133.8584	0.362	7	134.6905	4.912	12	134.6905	4.912	12
694	74	956	0:SP2_SP2_SP2	B[4]	N[4]	N	3:3:3:	3:3:4:	3:4:4:	N[4]-3:N[4]-3:N-3:	C[4]-3:B[4]-3:C-4:	B[4]-3:C-4:C-4:	B[4](N[4]C[4]C)2(NCC)	N[4](C[4]C[6a]N[4])(B[4]N[4]N)(CCCH)	N(B[4]N[4]2)(CCCH)2	B[4](N[4]C[4]C)2(NCC){1|C<3>}	N[4](C[4]C[6a]N[4])(B[4]N[4]N)(CCCH){1|C<4>,2|C<3>}	N(B[4]N[4]2)(CCCH)2	137.1720	3.441	2	137.1720	11.839	2	137.1720	11.839	2	137.1720	11.839	2	134.6905	4.912	12	134.6905	4.912	12
694	74	956	0:SP2_SP2_SP2	B[4]	N[4]	N	3:3:3:	3:4:3:	3:4:4:	N[4]-3:N[4]-3:N-3:	C[4]-3:C[6]-4:B[4]-3:	B[4]-3:C-4:C-4:	B[4](N[4]C[4]C[6])2(NCC)	N[4](C[4]C[6a]N[4])(C[6]C[6]2H)(B[4]N[4]N)	N(B[4]N[4]2)(CCCH)2	B[4](N[4]C[4]C[6])2(NCC){1|C<3>,2|H<1>,4|C<4>}	N[4](C[4]C[6a]N[4])(C[6]C[6]2H)(B[4]N[4]N){2|C<3>,3|C<4>,4|H<1>}	N(B[4]N[4]2)(CCCH)2	136.9140	0.337	2	136.9140	0.113	2	136.9140	0.113	2	136.9140	0.113	2	134.6905	4.912	12	134.6905	4.912	12
694	74	956	0:SP2_SP2_SP2	B[4]	N[4]	N	4:3:3:	3:3:3:	3:4:4:	N[4,4]-4:N[4]-3:N-3:	Ge[4,4]-3:B[4]-3:C[6a]-3:	B[4]-3:C-4:C-4:	B[4](N[4,4]Ge[4,4]2C[6a])(N[4]Ge[4,4]C[6a])(NCC)	N[4](Ge[4,4]N[4,4]2)(B[4]N[4,4]N)(C[6a]C[6a]2)	N(B[4]N[4,4]N[4])(CCCH)2	B[4](N[4,4]Ge[4,4]2C[6a])(N[4]Ge[4,4]C[6a])(NCC){1|N<3>,1|N<4>,4|C<3>}	N[4](Ge[4,4]N[4,4]2)(B[4]N[4,4]N)(C[6a]C[6a]2){1|Ge<3>,1|B<3>,2|C<4>,4|C<3>}	N(B[4]N[4,4]N[4])(CCCH)2	131.1050	0.000	1	131.1050	0.000	1	131.1050	0.000	1	131.1050	0.000	1	134.6905	4.912	12	134.6905	4.912	12
694	74	956	0:SP2_SP2_SP3	B[4]	N[4]	N	3:3:3:	3:3:3:	3:4:4:	N[4]-3:N[4]-3:N-3:	Ge[4]-3:C[6a]-3:B[4]-3:	B[4]-3:C-4:C-4:	B[4](N[4]C[6a]Ge[4])2(NCC)	N[4](Ge[4]N[4]N[6])(C[6a]C[6a]2)(B[4]N[4]N)	N(B[4]N[4]2)(CCCH)2	B[4](N[4]C[6a]Ge[4])2(NCC){1|N<3>,4|C<3>}	N[4](Ge[4]N[4]N[6])(C[6a]C[6a]2)(B[4]N[4]N){2|C<4>,5|C<3>}	N(B[4]N[4]2)(CCCH)2	123.8890	0.000	1	123.8890	0.000	1	123.8890	0.000	1	123.8890	0.000	1	123.8890	0.000	1	123.8890	0.000	1
694	74	980	4:SP2_SP2_SP3	B[4]	N[4]	N[4,4]	4:3:3:	3:3:3:	3:3:3:3:	N[4,4]-4:N[4]-3:N-3:	Ge[4,4]-3:B[4]-3:C[6a]-3:	Ge[4,4]-3:Ge[4,4]-3:C[6a]-3:B[4]-3:	B[4](N[4,4]Ge[4,4]2C[6a])(N[4]Ge[4,4]C[6a])(NCC)	N[4](Ge[4,4]N[4,4]2)(B[4]N[4,4]N)(C[6a]C[6a]2)	N[4,4](Ge[4,4]N[4,4]N[4])2(C[6a]C[6a]2)(B[4]N[4]N)	B[4](N[4,4]Ge[4,4]2C[6a])(N[4]Ge[4,4]C[6a])(NCC){1|N<3>,1|N<4>,4|C<3>}	N[4](Ge[4,4]N[4,4]2)(B[4]N[4,4]N)(C[6a]C[6a]2){1|Ge<3>,1|B<3>,2|C<4>,4|C<3>}	N[4,4](Ge[4,4]N[4,4]N[4])2(C[6a]C[6a]2)(B[4]N[4]N){1|B<3>,2|C<4>,5|C<3>}	104.3500	0.000	1	104.3500	0.000	1	104.3500	0.000	1	104.3500	0.000	1	104.3500	0.000	1	104.3500	0.000	1
694	478	770	0:SP2_SP2_SP3	B[4]	C[4,5]	B	4:3:3:	3:4:3:3:	3:3:3:	C[4,5]-4:N[4]-3:B-3:	N[5]-3:C[5]-4:B[4]-3:C[4]-3:	B[4]-3:N-3:N-3:	B[4](C[4,5]C[4]C[5]N[5])(N[4]C[4]C[6])(BNN)	C[4,5](N[5]C[6a]C[5])(C[5]C[5]CC)(B[4]N[4]B)(C[4]N[4]N)	B(B[4]C[4,5]N[4])(NCC)2	B[4](C[4,5]C[4]C[5]N[5])(N[4]C[4]C[6])(BNN){1|C<3>,1|H<1>,1|N<2>,6|C<4>}	C[4,5](N[5]C[6a]C[5])(C[5]C[5]CC)(B[4]N[4]B)(C[4]N[4]N){2|C<3>,2|H<1>,3|C<4>}	B(B[4]C[4,5]N[4])(NCC)2	142.4820	0.000	1	142.4820	0.000	1	142.4820	0.000	1	142.4820	0.000	1	142.4820	0.000	1	142.4820	0.000	1
694	598	598	4:SP2_SP2_SP2	B[4,4]	Si[4x4]	Si[4x4]	3:3:3:	4:4:3:	4:4:3:	Si[4x4]-3:Si[4x4]-3:N-3:	Si[4x4]-4:Si[4x4]-4:B[4,4]-3:	Si[4x4]-4:Si[4x4]-4:B[4,4]-3:	B[4,4](Si[4x4]Si[4x4]2)2(NCC)	Si[4x4](Si[4x4]Si[4,4]Si[4x4]C[6a])2(B[4,4]Si[4x4]N)	Si[4x4](Si[4x4]Si[4,4]Si[4x4]C[6a])2(B[4,4]Si[4x4]N)	B[4,4](Si[4x4]Si[4x4]2)2(NCC){1|Si<4>,2|C<3>}	Si[4x4](Si[4x4]Si[4,4]Si[4x4]C[6a])2(B[4,4]Si[4x4]N){6|C<3>}	Si[4x4](Si[4x4]Si[4,4]Si[4x4]C[6a])2(B[4,4]Si[4x4]N){6|C<3>}	79.1005	0.000	1	79.1005	0.000	1	79.1005	0.000	1	79.1005	0.000	1	79.1005	0.000	1	79.1005	0.000	1
694	598	956	0:SP2_SP2_SP2	B[4,4]	Si[4x4]	N	3:3:3:	4:4:3:	3:4:4:	Si[4x4]-3:Si[4x4]-3:N-3:	Si[4x4]-4:Si[4x4]-4:B[4,4]-3:	B[4,4]-3:C-4:C-4:	B[4,4](Si[4x4]Si[4x4]2)2(NCC)	Si[4x4](Si[4x4]Si[4,4]Si[4x4]C[6a])2(B[4,4]Si[4x4]N)	N(B[4,4]Si[4x4]2)(CCCH)2	B[4,4](Si[4x4]Si[4x4]2)2(NCC){1|Si<4>,2|C<3>}	Si[4x4](Si[4x4]Si[4,4]Si[4x4]C[6a])2(B[4,4]Si[4x4]N){6|C<3>}	N(B[4,4]Si[4x4]2)(CCCH)2	140.2220	2.809	2	140.2220	7.888	2	140.2220	7.888	2	140.2220	7.888	2	140.2220	7.888	2	140.2220	7.888	2
694	643	949	0:SP2_SP2_SP3	B[4]	C[6a]	Se[4]	3:2:2:	3:3:3:	4:3:	C[6a]-3:Se[4]-2:Se[4]-2:	C[6a]-3:C[6a]-3:B[4]-3:	B[4]-4:B[4]-3:	B[4](C[6a]C[6a]2)(Se[4]B[4])2	C[6a](C[6a]C[6a]2)2(B[4]Se[4]2)	Se[4](B[4]Se[4]C[5]C)(B[4]C[6a]Se[4])	B[4](C[6a]C[6a]2)(Se[4]B[4])2{1|C<4>,5|C<3>}	C[6a](C[6a]C[6a]2)2(B[4]Se[4]2){1|B<4>,2|H<1>,5|C<3>}	Se[4](B[4]Se[4]C[5]C)(B[4]C[6a]Se[4]){2|C<3>,2|N<3>}	127.1755	1.300	2	127.1755	1.691	2	127.1755	1.691	2	127.1755	1.691	2	127.1755	1.691	2	127.1755	1.691	2
694	846	956	0:SP2_SP2_SP2	B[4]	C[4]	N	3:3:3:	3:3:2:	3:4:4:	N[4]-3:C[4]-3:N-3:	C[4]-3:B[4]-3:N-2:	B[4]-3:Si-4:Si-4:	B[4](N[4]C[6a]C[4])(C[4]C[4]N)(NSi2)	C[4](C[4]N[4]Cr)(B[4]N[4]N)(NC[6a])	N(B[4]C[4]N[4])(SiC3)2	B[4](N[4]C[6a]C[4])(C[4]C[4]N)(NSi2){1|Cr<6>,2|C<3>}	C[4](C[4]N[4]Cr)(B[4]N[4]N)(NC[6a]){1|C<3>}	N(B[4]C[4]N[4])(SiC3)2	141.9357	0.562	6	141.9357	0.316	6	141.9357	0.316	6	141.9357	0.316	6	141.9357	0.316	6	141.9357	0.316	6
694	949	949	4:SP2_SP3_SP3	B[4]	Se[4]	Se[4]	2:2:3:	4:3:	4:3:	Se[4]-2:Se[4]-2:N-3:	B[4]-4:B[4]-3:	B[4]-4:B[4]-3:	B[4](Se[4]B[4])2(NSi2)	Se[4](B[4]Se[4]C[5]C)(B[4]Se[4]N)	Se[4](B[4]Se[4]C[5]C)(B[4]Se[4]N)	B[4](Se[4]B[4])2(NSi2){1|C<3>,1|C<4>}	Se[4](B[4]Se[4]C[5]C)(B[4]Se[4]N){2|N<3>}	Se[4](B[4]Se[4]C[5]C)(B[4]Se[4]N){2|N<3>}	102.9250	0.000	1	102.9250	0.000	1	102.9250	0.000	1	102.9250	0.000	1	104.2860	3.705	2	104.2860	3.705	2
694	949	949	4:SP2_SP3_SP3	B[4]	Se[4]	Se[4]	3:2:2:	4:3:	4:3:	C[6a]-3:Se[4]-2:Se[4]-2:	B[4]-4:B[4]-3:	B[4]-4:B[4]-3:	B[4](C[6a]C[6a]2)(Se[4]B[4])2	Se[4](B[4]Se[4]C[5]C)(B[4]C[6a]Se[4])	Se[4](B[4]Se[4]C[5]C)(B[4]C[6a]Se[4])	B[4](C[6a]C[6a]2)(Se[4]B[4])2{1|C<4>,5|C<3>}	Se[4](B[4]Se[4]C[5]C)(B[4]C[6a]Se[4]){2|C<3>,2|N<3>}	Se[4](B[4]Se[4]C[5]C)(B[4]C[6a]Se[4]){2|C<3>,2|N<3>}	105.6470	0.000	1	105.6470	0.000	1	105.6470	0.000	1	105.6470	0.000	1	104.2860	3.705	2	104.2860	3.705	2
694	949	956	0:SP2_SP2_SP3	B[4]	Se[4]	N	2:2:3:	4:3:	3:4:4:	Se[4]-2:Se[4]-2:N-3:	B[4]-4:B[4]-3:	B[4]-3:Si-4:Si-4:	B[4](Se[4]B[4])2(NSi2)	Se[4](B[4]Se[4]C[5]C)(B[4]Se[4]N)	N(B[4]Se[4]2)(SiC3)2	B[4](Se[4]B[4])2(NSi2){1|C<3>,1|C<4>}	Se[4](B[4]Se[4]C[5]C)(B[4]Se[4]N){2|N<3>}	N(B[4]Se[4]2)(SiC3)2	128.5210	0.269	2	128.5210	0.072	2	128.5210	0.072	2	128.5210	0.072	2	128.5210	0.072	2	128.5210	0.072	2
694	956	980	0:SP2_SP2_SP3	B[4]	N	N[4,4]	4:3:3:	3:4:4:	3:3:3:3:	N[4,4]-4:N[4]-3:N-3:	B[4]-3:C-4:C-4:	Ge[4,4]-3:Ge[4,4]-3:C[6a]-3:B[4]-3:	B[4](N[4,4]Ge[4,4]2C[6a])(N[4]Ge[4,4]C[6a])(NCC)	N(B[4]N[4,4]N[4])(CCCH)2	N[4,4](Ge[4,4]N[4,4]N[4])2(C[6a]C[6a]2)(B[4]N[4]N)	B[4](N[4,4]Ge[4,4]2C[6a])(N[4]Ge[4,4]C[6a])(NCC){1|N<3>,1|N<4>,4|C<3>}	N(B[4]N[4,4]N[4])(CCCH)2	N[4,4](Ge[4,4]N[4,4]N[4])2(C[6a]C[6a]2)(B[4]N[4]N){1|B<3>,2|C<4>,5|C<3>}	124.5160	0.000	1	124.5160	0.000	1	124.5160	0.000	1	124.5160	0.000	1	124.5160	0.000	1	124.5160	0.000	1
706	486	486	3:SP3_SP3_SP3	S[3]	C[3,6,6]	C[3]	4:4:	4:4:4:2:	4:2:2:2:	C[3,6,6]-4:C[3]-4:	C[3x6]-4:C[3x6]-4:C[3]-4:S[3]-2:	C[3,6,6]-4:S[3]-2:O-2:O-2:	S[3](C[3,6,6]C[3x6]2C[3])(C[3]C[3,6,6]OO)	C[3,6,6](C[3x6]C[6,6]2H)2(C[3]S[3]OO)(S[3]C[3])	C[3](C[3,6,6]C[3x6]2S[3])(S[3]C[3,6,6])(OC)2	S[3](C[3,6,6]C[3x6]2C[3])(C[3]C[3,6,6]OO){2|H<1>,4|C<4>}	C[3,6,6](C[3x6]C[6,6]2H)2(C[3]S[3]OO)(S[3]C[3]){2|C<4>,8|H<1>}	C[3](C[3,6,6]C[3x6]2S[3])(S[3]C[3,6,6])(OC)2{2|H<1>,4|C<4>}	46.5760	0.017	3	46.5760	0.000	3	46.5760	0.000	3	46.5760	0.000	3	46.5760	0.000	3	47.8320	1.180	14
706	486	486	3:SP3_SP3_SP3	S[3]	C[3,6]	C[3,5]	4:4:	4:3:3:2:	3:4:4:2:	C[3,5]-4:C[3,6]-4:	C[3,5]-4:C[6,6a]-3:C[6,6a]-3:S[3]-2:	C[5,6a]-3:C[3,6]-4:C[5]-4:S[3]-2:	S[3](C[3,5]C[5,6a]C[3,6]C[5])(C[3,6]C[6,6a]2C[3,5])	C[3,6](C[3,5]C[5,6a]C[5]S[3])(C[6,6a]C[6,6a]C[6a])2(S[3]C[3,5])	C[3,5](C[5,6a]C[6a,6a]C[5,6a])(C[3,6]C[6,6a]2S[3])(C[5]C[5]CH)(S[3]C[3,6])	S[3](C[3,5]C[5,6a]C[3,6]C[5])(C[3,6]C[6,6a]2C[3,5]){1|H<1>,2|C<4>,6|C<3>}	C[3,6](C[3,5]C[5,6a]C[5]S[3])(C[6,6a]C[6,6a]C[6a])2(S[3]C[3,5]){1|O<2>,2|C<4>,3|H<1>,6|C<3>}	C[3,5](C[5,6a]C[6a,6a]C[5,6a])(C[3,6]C[6,6a]2S[3])(C[5]C[5]CH)(S[3]C[3,6]){2|H<1>,7|C<3>}	50.2354	0.000	1	50.2354	0.000	1	50.2354	0.000	1	50.2354	0.000	1	50.2354	0.000	1	47.8320	1.180	14
706	486	486	3:SP3_SP3_SP3	S[3]	C[3]	C[3]	4:4:	3:4:2:3:	4:2:4:1:	C[3]-4:C[3]-4:	C[6a]-3:C[3]-4:S[3]-2:C-3:	C[3]-4:S[3]-2:C-4:H-1:	S[3](C[3]C[6a]C[3]C)(C[3]C[3]CH)	C[3](C[6a]C[6a]2)(C[3]S[3]CH)(S[3]C[3])(CNO)	C[3](C[3]C[6a]S[3]C)(S[3]C[3])(CCHO)(H)	S[3](C[3]C[6a]C[3]C)(C[3]C[3]CH){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]S[3]CH)(S[3]C[3])(CNO){2|C<3>,2|H<1>}	C[3](C[3]C[6a]S[3]C)(S[3]C[3])(CCHO)(H){2|C<3>}	49.1355	0.000	1	49.1355	0.000	1	49.1355	0.000	1	49.1355	0.000	1	47.9685	0.516	10	47.8320	1.180	14
706	486	486	3:SP3_SP3_SP3	S[3]	C[3]	C[3]	4:4:	4:2:4:1:	4:2:1:1:	C[3]-4:C[3]-4:	C[3]-4:S[3]-2:C-4:H-1:	C[3]-4:S[3]-2:H-1:H-1:	S[3](C[3]C[3]CH)(C[3]C[3]HH)	C[3](C[3]S[3]HH)(S[3]C[3])(CHHS)(H)	C[3](C[3]S[3]CH)(S[3]C[3])(H)2	S[3](C[3]C[3]CH)(C[3]C[3]HH)	C[3](C[3]S[3]HH)(S[3]C[3])(CHHS)(H)	C[3](C[3]S[3]CH)(S[3]C[3])(H)2	47.8418	0.477	5	47.8418	0.227	5	47.8418	0.227	5	47.8418	0.227	5	47.9685	0.516	10	47.8320	1.180	14
706	486	486	3:SP3_SP3_SP3	S[3]	C[3]	C[3]	4:4:	4:2:4:1:	4:2:4:1:	C[3]-4:C[3]-4:	C[3]-4:S[3]-2:C-4:H-1:	C[3]-4:S[3]-2:C-4:H-1:	S[3](C[3]C[3]CH)2	C[3](C[3]S[3]CH)(S[3]C[3])(CHHN)(H)	C[3](C[3]S[3]CH)(S[3]C[3])(CH3)(H)	S[3](C[3]C[3]CH)2	C[3](C[3]S[3]CH)(S[3]C[3])(CHHN)(H)	C[3](C[3]S[3]CH)(S[3]C[3])(CH3)(H)	47.2352	0.000	2	47.2352	0.000	2	47.2352	0.000	2	47.2352	0.000	2	47.9685	0.516	10	47.8320	1.180	14
706	486	486	3:SP3_SP3_SP3	S[3]	C[3]	C[3]	4:4:	4:3:2:3:	4:3:2:1:	C[3]-4:C[3]-4:	C[3]-4:C[6a]-3:S[3]-2:C-3:	C[3]-4:C[6a]-3:S[3]-2:H-1:	S[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H)	C[3](C[3]C[6a]S[3]H)(C[6a]C[6a]2)(S[3]C[3])(CN[5]O)	C[3](C[3]C[6a]S[3]C)(C[6a]C[6a]2)(S[3]C[3])(H)	S[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H){4|C<3>}	C[3](C[3]C[6a]S[3]H)(C[6a]C[6a]2)(S[3]C[3])(CN[5]O){2|H<1>,4|C<3>}	C[3](C[3]C[6a]S[3]C)(C[6a]C[6a]2)(S[3]C[3])(H){2|H<1>,4|C<3>}	49.0588	0.000	1	49.0588	0.000	1	49.0588	0.000	1	49.0588	0.000	1	47.9685	0.516	10	47.8320	1.180	14
706	486	486	3:SP3_SP3_SP3	S[3]	C[3]	C[3]	4:4:	4:4:2:1:	4:2:1:1:	C[3]-4:C[3]-4:	C[5]-4:C[3]-4:S[3]-2:H-1:	C[3]-4:S[3]-2:H-1:H-1:	S[3](C[3]C[3]C[5]H)(C[3]C[3]HH)	C[3](C[5]C[5,6]C[5]O)(C[3]S[3]HH)(S[3]C[3])(H)	C[3](C[3]C[5]S[3]H)(S[3]C[3])(H)2	S[3](C[3]C[3]C[5]H)(C[3]C[3]HH){1|O<2>,2|C<4>}	C[3](C[5]C[5,6]C[5]O)(C[3]S[3]HH)(S[3]C[3])(H){2|H<1>,4|C<4>}	C[3](C[3]C[5]S[3]H)(S[3]C[3])(H)2{1|O<2>,2|C<4>}	47.8111	0.000	1	47.8111	0.000	1	47.8111	0.000	1	47.8111	0.000	1	47.9685	0.516	10	47.8320	1.180	14
706	634	634	3:SP3_SP3_SP3	S[3]	Ge[3]	Ge[3]	4:4:	4:4:3:2:	4:4:3:2:	Ge[3]-4:Ge[3]-4:	Ge[3]-4:C[5]-4:C[6a]-3:S[3]-2:	Ge[3]-4:C[5]-4:C[6a]-3:S[3]-2:	S[3](Ge[3]C[6a]Ge[3]C[5])2	Ge[3](Ge[3]C[6a]C[5]S[3])(C[5]C[5]2Fe)(C[6a]C[6a]2)(S[3]Ge[3])	Ge[3](Ge[3]C[6a]C[5]S[3])(C[5]C[5]2Fe)(C[6a]C[6a]2)(S[3]Ge[3])	S[3](Ge[3]C[6a]Ge[3]C[5])2{2|Fe<10>,4|C<3>,4|C<4>}	Ge[3](Ge[3]C[6a]C[5]S[3])(C[5]C[5]2Fe)(C[6a]C[6a]2)(S[3]Ge[3]){1|Fe<10>,2|H<1>,4|C<3>,6|C<4>}	Ge[3](Ge[3]C[6a]C[5]S[3])(C[5]C[5]2Fe)(C[6a]C[6a]2)(S[3]Ge[3]){1|Fe<10>,2|H<1>,4|C<3>,6|C<4>}	62.4631	0.000	1	62.4631	0.000	1	62.4631	0.000	1	62.4631	0.000	1	62.4631	0.000	1	62.4631	0.000	1
706	654	706	3:SP3_SP3_SP3	S[3]	B[3]	S[3]	4:2:	3:2:2:4:	4:2:	B[3]-4:S[3]-2:	C[5]-3:S[3]-2:S[3]-2:C-4:	B[3]-4:S[3]-2:	S[3](B[3]C[5]S[3]C)(S[3]B[3])	B[3](C[5]N[5]2)(S[3]S[3])2(CC3)	S[3](B[3]C[5]S[3]C)(S[3]B[3])	S[3](B[3]C[5]S[3]C)(S[3]B[3]){2|N<3>}	B[3](C[5]N[5]2)(S[3]S[3])2(CC3){2|C<3>,2|C<4>}	S[3](B[3]C[5]S[3]C)(S[3]B[3]){2|N<3>}	56.9719	0.028	2	56.9719	0.001	2	56.9719	0.001	2	56.9719	0.001	2	56.9719	0.001	2	56.9719	0.001	2
706	852	852	3:SP3_SP3_SP3	S[3]	P[3]	P[3]	3:3:	5:3:2:	5:3:2:	P[3]-3:P[3]-3:	C[3x3,4,3x5,14x6]-5:P[3]-3:S[3]-2:	C[3x3,4,3x5,14x6]-5:P[3]-3:S[3]-2:	S[3](P[3]C[3x3,4,3x5,14x6]P[3])2	P[3](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(P[3]C[3x3,4,3x5,14x6]S[3])(S[3]P[3])	P[3](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(P[3]C[3x3,4,3x5,14x6]S[3])(S[3]P[3])	S[3](P[3]C[3x3,4,3x5,14x6]P[3])2{8|B<6>}	P[3](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(P[3]C[3x3,4,3x5,14x6]S[3])(S[3]P[3]){1|C<5>,4|H<1>,9|B<6>}	P[3](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(P[3]C[3x3,4,3x5,14x6]S[3])(S[3]P[3]){1|C<5>,4|H<1>,9|B<6>}	64.0484	0.000	1	64.0484	0.000	1	64.0484	0.000	1	64.0484	0.000	1	64.0484	0.000	1	64.0484	0.000	1
714	74	478	4:SPD5_SP2_SP3	S[4,5]	N[4]	C[4]	3:4:3:2:1:	5:3:4:	5:3:4:1:	C[5,6a]-3:C[4]-4:N[4]-3:O[5]-2:O-1:	S[4,5]-5:C[6a]-3:C[4]-4:	S[4,5]-5:C[6a]-3:C[4]-4:H-1:	S[4,5](C[5,6a]C[5,6a]C[6a])(C[4]C[6a]C[4]H)(N[4]C[6a]C[4])(O[5]C[5])(O)	N[4](S[4,5]C[5,6a]C[4]O[5]O)(C[6a]C[6a]2)(C[4]C[4]CC)	C[4](S[4,5]C[5,6a]N[4]O[5]O)(C[6a]C[6a]2)(C[4]N[4]CC)(H)	S[4,5](C[5,6a]C[5,6a]C[6a])(C[4]C[6a]C[4]H)(N[4]C[6a]C[4])(O[5]C[5])(O){1|H<1>,4|C<4>,6|C<3>}	N[4](S[4,5]C[5,6a]C[4]O[5]O)(C[6a]C[6a]2)(C[4]C[4]CC){1|C<4>,3|H<1>,5|C<3>}	C[4](S[4,5]C[5,6a]N[4]O[5]O)(C[6a]C[6a]2)(C[4]N[4]CC)(H){1|C<4>,2|H<1>,5|C<3>}	75.7482	0.000	1	75.7482	0.000	1	75.7482	0.000	1	75.7482	0.000	1	75.7482	0.000	1	75.7482	0.000	1
714	74	727	0:SPD5_SP2_SP2	S[4,5]	N[4]	C[5,6a]	3:4:3:2:1:	5:3:4:	5:3:3:	C[5,6a]-3:C[4]-4:N[4]-3:O[5]-2:O-1:	S[4,5]-5:C[6a]-3:C[4]-4:	S[4,5]-5:C[5,6a]-3:C[6a]-3:	S[4,5](C[5,6a]C[5,6a]C[6a])(C[4]C[6a]C[4]H)(N[4]C[6a]C[4])(O[5]C[5])(O)	N[4](S[4,5]C[5,6a]C[4]O[5]O)(C[6a]C[6a]2)(C[4]C[4]CC)	C[5,6a](S[4,5]C[4]N[4]O[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	S[4,5](C[5,6a]C[5,6a]C[6a])(C[4]C[6a]C[4]H)(N[4]C[6a]C[4])(O[5]C[5])(O){1|H<1>,4|C<4>,6|C<3>}	N[4](S[4,5]C[5,6a]C[4]O[5]O)(C[6a]C[6a]2)(C[4]C[4]CC){1|C<4>,3|H<1>,5|C<3>}	C[5,6a](S[4,5]C[4]N[4]O[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,3|C<4>,3|H<1>}	96.6822	0.000	1	96.6822	0.000	1	96.6822	0.000	1	96.6822	0.000	1	96.6822	0.000	1	96.6822	0.000	1
714	74	863	0:SPD5_SP2_SP2	S[4,5]	N[4]	O	3:4:3:2:1:	5:3:4:	5:	C[5,6a]-3:C[4]-4:N[4]-3:O[5]-2:O-1:	S[4,5]-5:C[6a]-3:C[4]-4:	S[4,5]-5:	S[4,5](C[5,6a]C[5,6a]C[6a])(C[4]C[6a]C[4]H)(N[4]C[6a]C[4])(O[5]C[5])(O)	N[4](S[4,5]C[5,6a]C[4]O[5]O)(C[6a]C[6a]2)(C[4]C[4]CC)	O(S[4,5]C[5,6a]C[4]N[4]O[5])	S[4,5](C[5,6a]C[5,6a]C[6a])(C[4]C[6a]C[4]H)(N[4]C[6a]C[4])(O[5]C[5])(O){1|H<1>,4|C<4>,6|C<3>}	N[4](S[4,5]C[5,6a]C[4]O[5]O)(C[6a]C[6a]2)(C[4]C[4]CC){1|C<4>,3|H<1>,5|C<3>}	O(S[4,5]C[5,6a]C[4]N[4]O[5])	102.9500	0.000	1	102.9500	0.000	1	102.9500	0.000	1	102.9500	0.000	1	102.9500	0.000	1	102.9500	0.000	1
714	74	976	0:SPD5_SP2_SP3	S[4,5]	N[4]	O[5]	3:4:3:2:1:	5:3:4:	5:4:	C[5,6a]-3:C[4]-4:N[4]-3:O[5]-2:O-1:	S[4,5]-5:C[6a]-3:C[4]-4:	S[4,5]-5:C[5]-4:	S[4,5](C[5,6a]C[5,6a]C[6a])(C[4]C[6a]C[4]H)(N[4]C[6a]C[4])(O[5]C[5])(O)	N[4](S[4,5]C[5,6a]C[4]O[5]O)(C[6a]C[6a]2)(C[4]C[4]CC)	O[5](S[4,5]C[5,6a]C[4]N[4]O)(C[5]C[5,6a]CC)	S[4,5](C[5,6a]C[5,6a]C[6a])(C[4]C[6a]C[4]H)(N[4]C[6a]C[4])(O[5]C[5])(O){1|H<1>,4|C<4>,6|C<3>}	N[4](S[4,5]C[5,6a]C[4]O[5]O)(C[6a]C[6a]2)(C[4]C[4]CC){1|C<4>,3|H<1>,5|C<3>}	O[5](S[4,5]C[5,6a]C[4]N[4]O)(C[5]C[5,6a]CC){1|C<4>,1|H<1>,4|C<3>}	159.4240	0.000	1	159.4240	0.000	1	159.4240	0.000	1	159.4240	0.000	1	159.4240	0.000	1	159.4240	0.000	1
714	362	474	0:SPD5_SP3_SPD6	S[4,5,5]	C[3x3,4,5,5]	C[5]	6:5:4:1:1:	7:6:5:2:2:1:	5:4:4:1:	C[3x3,4,5,5]-6:C[4x4,5,5]-5:C[5]-4:O-1:O-1:	C[3x3,3x4,5,5]-7:C[3,3x4,4x5]-6:S[4,5,5]-5:H[3]-2:H[3]-2:H-1:	S[4,5,5]-5:C[5]-4:C[5]-4:H-1:	S[4,5,5](C[3x3,4,5,5]C[3x3,3x4,5,5]C[3,3x4,4x5]H[3]2H)(C[4x4,5,5]C[3x3,3x4,5,5]H[4,4,5]2H)(C[5]C[5]2H)(O)2	C[3x3,4,5,5](C[3x3,3x4,5,5]C[3,3x4,4x5]C[4x4,5,5]C[4,5,5]H[3]2H)(C[3,3x4,4x5]C[3x3,3x4,5,5]C[4,5,5]H[4,4,5]2H)(S[4,5,5]C[4x4,5,5]C[5]OO)(H[3]C[3x3,3x4,5,5])2(H)	C[5](S[4,5,5]C[3x3,4,5,5]C[4x4,5,5]OO)(C[5]N[4,5]C[5]H)(C[5]C[4,5]CH)(H)	S[4,5,5](C[3x3,4,5,5]C[3x3,3x4,5,5]C[3,3x4,4x5]H[3]2H)(C[4x4,5,5]C[3x3,3x4,5,5]H[4,4,5]2H)(C[5]C[5]2H)(O)2{1|C<6>,1|N<3>,4|C<4>,4|H<1>}	C[3x3,4,5,5](C[3x3,3x4,5,5]C[3,3x4,4x5]C[4x4,5,5]C[4,5,5]H[3]2H)(C[3,3x4,4x5]C[3x3,3x4,5,5]C[4,5,5]H[4,4,5]2H)(S[4,5,5]C[4x4,5,5]C[5]OO)(H[3]C[3x3,3x4,5,5])2(H){2|C<4>,2|H<2>,6|H<1>}	C[5](S[4,5,5]C[3x3,4,5,5]C[4x4,5,5]OO)(C[5]N[4,5]C[5]H)(C[5]C[4,5]CH)(H){1|C<3>,1|C<6>,1|C<7>,1|O<2>,2|C<4>,4|H<1>,4|H<2>}	110.9810	0.000	1	110.9810	0.000	1	110.9810	0.000	1	110.9810	0.000	1	110.9810	0.000	1	110.9810	0.000	1
714	362	794	5:SPD5_SPD5_SPD6	S[4,5,5]	C[3x3,4,5,5]	C[4x4,5,5]	6:5:4:1:1:	7:6:5:2:2:1:	7:5:2:2:1:	C[3x3,4,5,5]-6:C[4x4,5,5]-5:C[5]-4:O-1:O-1:	C[3x3,3x4,5,5]-7:C[3,3x4,4x5]-6:S[4,5,5]-5:H[3]-2:H[3]-2:H-1:	C[3x3,3x4,5,5]-7:S[4,5,5]-5:H[4,4,5]-2:H[4,4,5]-2:H-1:	S[4,5,5](C[3x3,4,5,5]C[3x3,3x4,5,5]C[3,3x4,4x5]H[3]2H)(C[4x4,5,5]C[3x3,3x4,5,5]H[4,4,5]2H)(C[5]C[5]2H)(O)2	C[3x3,4,5,5](C[3x3,3x4,5,5]C[3,3x4,4x5]C[4x4,5,5]C[4,5,5]H[3]2H)(C[3,3x4,4x5]C[3x3,3x4,5,5]C[4,5,5]H[4,4,5]2H)(S[4,5,5]C[4x4,5,5]C[5]OO)(H[3]C[3x3,3x4,5,5])2(H)	C[4x4,5,5](C[3x3,3x4,5,5]C[3,3x4,4x5]C[3x3,4,5,5]C[4,5,5]H[3]2H)(S[4,5,5]C[3x3,4,5,5]C[5]OO)(H[4,4,5]C[3,3x4,4x5])2(H)	S[4,5,5](C[3x3,4,5,5]C[3x3,3x4,5,5]C[3,3x4,4x5]H[3]2H)(C[4x4,5,5]C[3x3,3x4,5,5]H[4,4,5]2H)(C[5]C[5]2H)(O)2{1|C<6>,1|N<3>,4|C<4>,4|H<1>}	C[3x3,4,5,5](C[3x3,3x4,5,5]C[3,3x4,4x5]C[4x4,5,5]C[4,5,5]H[3]2H)(C[3,3x4,4x5]C[3x3,3x4,5,5]C[4,5,5]H[4,4,5]2H)(S[4,5,5]C[4x4,5,5]C[5]OO)(H[3]C[3x3,3x4,5,5])2(H){2|C<4>,2|H<2>,6|H<1>}	C[4x4,5,5](C[3x3,3x4,5,5]C[3,3x4,4x5]C[3x3,4,5,5]C[4,5,5]H[3]2H)(S[4,5,5]C[3x3,4,5,5]C[5]OO)(H[4,4,5]C[3,3x4,4x5])2(H){2|H<2>,3|C<4>,6|H<1>}	33.1699	0.000	1	33.1699	0.000	1	33.1699	0.000	1	33.1699	0.000	1	33.1699	0.000	1	33.1699	0.000	1
714	362	863	0:SPD5_SP2_SPD6	S[4,5,5]	C[3x3,4,5,5]	O	6:5:4:1:1:	7:6:5:2:2:1:	5:	C[3x3,4,5,5]-6:C[4x4,5,5]-5:C[5]-4:O-1:O-1:	C[3x3,3x4,5,5]-7:C[3,3x4,4x5]-6:S[4,5,5]-5:H[3]-2:H[3]-2:H-1:	S[4,5,5]-5:	S[4,5,5](C[3x3,4,5,5]C[3x3,3x4,5,5]C[3,3x4,4x5]H[3]2H)(C[4x4,5,5]C[3x3,3x4,5,5]H[4,4,5]2H)(C[5]C[5]2H)(O)2	C[3x3,4,5,5](C[3x3,3x4,5,5]C[3,3x4,4x5]C[4x4,5,5]C[4,5,5]H[3]2H)(C[3,3x4,4x5]C[3x3,3x4,5,5]C[4,5,5]H[4,4,5]2H)(S[4,5,5]C[4x4,5,5]C[5]OO)(H[3]C[3x3,3x4,5,5])2(H)	O(S[4,5,5]C[3x3,4,5,5]C[4x4,5,5]C[5]O)	S[4,5,5](C[3x3,4,5,5]C[3x3,3x4,5,5]C[3,3x4,4x5]H[3]2H)(C[4x4,5,5]C[3x3,3x4,5,5]H[4,4,5]2H)(C[5]C[5]2H)(O)2{1|C<6>,1|N<3>,4|C<4>,4|H<1>}	C[3x3,4,5,5](C[3x3,3x4,5,5]C[3,3x4,4x5]C[4x4,5,5]C[4,5,5]H[3]2H)(C[3,3x4,4x5]C[3x3,3x4,5,5]C[4,5,5]H[4,4,5]2H)(S[4,5,5]C[4x4,5,5]C[5]OO)(H[3]C[3x3,3x4,5,5])2(H){2|C<4>,2|H<2>,6|H<1>}	O(S[4,5,5]C[3x3,4,5,5]C[4x4,5,5]C[5]O)	104.2169	23.250	2	104.2169	540.554	2	104.2169	540.554	2	104.2169	540.554	2	104.2169	540.554	2	104.2169	540.554	2
714	474	794	0:SPD5_SP3_SPD5	S[4,5,5]	C[5]	C[4x4,5,5]	6:5:4:1:1:	5:4:4:1:	7:5:2:2:1:	C[3x3,4,5,5]-6:C[4x4,5,5]-5:C[5]-4:O-1:O-1:	S[4,5,5]-5:C[5]-4:C[5]-4:H-1:	C[3x3,3x4,5,5]-7:S[4,5,5]-5:H[4,4,5]-2:H[4,4,5]-2:H-1:	S[4,5,5](C[3x3,4,5,5]C[3x3,3x4,5,5]C[3,3x4,4x5]H[3]2H)(C[4x4,5,5]C[3x3,3x4,5,5]H[4,4,5]2H)(C[5]C[5]2H)(O)2	C[5](S[4,5,5]C[3x3,4,5,5]C[4x4,5,5]OO)(C[5]N[4,5]C[5]H)(C[5]C[4,5]CH)(H)	C[4x4,5,5](C[3x3,3x4,5,5]C[3,3x4,4x5]C[3x3,4,5,5]C[4,5,5]H[3]2H)(S[4,5,5]C[3x3,4,5,5]C[5]OO)(H[4,4,5]C[3,3x4,4x5])2(H)	S[4,5,5](C[3x3,4,5,5]C[3x3,3x4,5,5]C[3,3x4,4x5]H[3]2H)(C[4x4,5,5]C[3x3,3x4,5,5]H[4,4,5]2H)(C[5]C[5]2H)(O)2{1|C<6>,1|N<3>,4|C<4>,4|H<1>}	C[5](S[4,5,5]C[3x3,4,5,5]C[4x4,5,5]OO)(C[5]N[4,5]C[5]H)(C[5]C[4,5]CH)(H){1|C<3>,1|C<6>,1|C<7>,1|O<2>,2|C<4>,4|H<1>,4|H<2>}	C[4x4,5,5](C[3x3,3x4,5,5]C[3,3x4,4x5]C[3x3,4,5,5]C[4,5,5]H[3]2H)(S[4,5,5]C[3x3,4,5,5]C[5]OO)(H[4,4,5]C[3,3x4,4x5])2(H){2|H<2>,3|C<4>,6|H<1>}	103.0920	0.000	1	103.0920	0.000	1	103.0920	0.000	1	103.0920	0.000	1	103.0920	0.000	1	103.0920	0.000	1
714	474	863	0:SPD5_SP2_SP3	S[4,5,5]	C[5]	O	6:5:4:1:1:	5:4:4:1:	5:	C[3x3,4,5,5]-6:C[4x4,5,5]-5:C[5]-4:O-1:O-1:	S[4,5,5]-5:C[5]-4:C[5]-4:H-1:	S[4,5,5]-5:	S[4,5,5](C[3x3,4,5,5]C[3x3,3x4,5,5]C[3,3x4,4x5]H[3]2H)(C[4x4,5,5]C[3x3,3x4,5,5]H[4,4,5]2H)(C[5]C[5]2H)(O)2	C[5](S[4,5,5]C[3x3,4,5,5]C[4x4,5,5]OO)(C[5]N[4,5]C[5]H)(C[5]C[4,5]CH)(H)	O(S[4,5,5]C[3x3,4,5,5]C[4x4,5,5]C[5]O)	S[4,5,5](C[3x3,4,5,5]C[3x3,3x4,5,5]C[3,3x4,4x5]H[3]2H)(C[4x4,5,5]C[3x3,3x4,5,5]H[4,4,5]2H)(C[5]C[5]2H)(O)2{1|C<6>,1|N<3>,4|C<4>,4|H<1>}	C[5](S[4,5,5]C[3x3,4,5,5]C[4x4,5,5]OO)(C[5]N[4,5]C[5]H)(C[5]C[4,5]CH)(H){1|C<3>,1|C<6>,1|C<7>,1|O<2>,2|C<4>,4|H<1>,4|H<2>}	O(S[4,5,5]C[3x3,4,5,5]C[4x4,5,5]C[5]O)	108.9540	0.127	2	108.9540	0.016	2	108.9540	0.016	2	108.9540	0.016	2	108.9540	0.016	2	108.9540	0.016	2
714	478	727	0:SPD5_SP2_SP3	S[4,5]	C[4]	C[5,6a]	3:4:3:2:1:	5:3:4:1:	5:3:3:	C[5,6a]-3:C[4]-4:N[4]-3:O[5]-2:O-1:	S[4,5]-5:C[6a]-3:C[4]-4:H-1:	S[4,5]-5:C[5,6a]-3:C[6a]-3:	S[4,5](C[5,6a]C[5,6a]C[6a])(C[4]C[6a]C[4]H)(N[4]C[6a]C[4])(O[5]C[5])(O)	C[4](S[4,5]C[5,6a]N[4]O[5]O)(C[6a]C[6a]2)(C[4]N[4]CC)(H)	C[5,6a](S[4,5]C[4]N[4]O[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	S[4,5](C[5,6a]C[5,6a]C[6a])(C[4]C[6a]C[4]H)(N[4]C[6a]C[4])(O[5]C[5])(O){1|H<1>,4|C<4>,6|C<3>}	C[4](S[4,5]C[5,6a]N[4]O[5]O)(C[6a]C[6a]2)(C[4]N[4]CC)(H){1|C<4>,2|H<1>,5|C<3>}	C[5,6a](S[4,5]C[4]N[4]O[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,3|C<4>,3|H<1>}	119.0930	0.000	1	119.0930	0.000	1	119.0930	0.000	1	119.0930	0.000	1	119.0930	0.000	1	119.0930	0.000	1
714	478	863	0:SPD5_SP2_SP3	S[4,5]	C[4]	O	3:4:3:2:1:	5:3:4:1:	5:	C[5,6a]-3:C[4]-4:N[4]-3:O[5]-2:O-1:	S[4,5]-5:C[6a]-3:C[4]-4:H-1:	S[4,5]-5:	S[4,5](C[5,6a]C[5,6a]C[6a])(C[4]C[6a]C[4]H)(N[4]C[6a]C[4])(O[5]C[5])(O)	C[4](S[4,5]C[5,6a]N[4]O[5]O)(C[6a]C[6a]2)(C[4]N[4]CC)(H)	O(S[4,5]C[5,6a]C[4]N[4]O[5])	S[4,5](C[5,6a]C[5,6a]C[6a])(C[4]C[6a]C[4]H)(N[4]C[6a]C[4])(O[5]C[5])(O){1|H<1>,4|C<4>,6|C<3>}	C[4](S[4,5]C[5,6a]N[4]O[5]O)(C[6a]C[6a]2)(C[4]N[4]CC)(H){1|C<4>,2|H<1>,5|C<3>}	O(S[4,5]C[5,6a]C[4]N[4]O[5])	125.9580	0.000	1	125.9580	0.000	1	125.9580	0.000	1	125.9580	0.000	1	125.9580	0.000	1	125.9580	0.000	1
714	478	976	0:SPD5_SP3_SP3	S[4,5]	C[4]	O[5]	3:4:3:2:1:	5:3:4:1:	5:4:	C[5,6a]-3:C[4]-4:N[4]-3:O[5]-2:O-1:	S[4,5]-5:C[6a]-3:C[4]-4:H-1:	S[4,5]-5:C[5]-4:	S[4,5](C[5,6a]C[5,6a]C[6a])(C[4]C[6a]C[4]H)(N[4]C[6a]C[4])(O[5]C[5])(O)	C[4](S[4,5]C[5,6a]N[4]O[5]O)(C[6a]C[6a]2)(C[4]N[4]CC)(H)	O[5](S[4,5]C[5,6a]C[4]N[4]O)(C[5]C[5,6a]CC)	S[4,5](C[5,6a]C[5,6a]C[6a])(C[4]C[6a]C[4]H)(N[4]C[6a]C[4])(O[5]C[5])(O){1|H<1>,4|C<4>,6|C<3>}	C[4](S[4,5]C[5,6a]N[4]O[5]O)(C[6a]C[6a]2)(C[4]N[4]CC)(H){1|C<4>,2|H<1>,5|C<3>}	O[5](S[4,5]C[5,6a]C[4]N[4]O)(C[5]C[5,6a]CC){1|C<4>,1|H<1>,4|C<3>}	84.8463	0.000	1	84.8463	0.000	1	84.8463	0.000	1	84.8463	0.000	1	84.8463	0.000	1	84.8463	0.000	1
714	727	863	0:SPD5_SP2_SP2	S[4,5]	C[5,6a]	O	3:4:3:2:1:	5:3:3:	5:	C[5,6a]-3:C[4]-4:N[4]-3:O[5]-2:O-1:	S[4,5]-5:C[5,6a]-3:C[6a]-3:	S[4,5]-5:	S[4,5](C[5,6a]C[5,6a]C[6a])(C[4]C[6a]C[4]H)(N[4]C[6a]C[4])(O[5]C[5])(O)	C[5,6a](S[4,5]C[4]N[4]O[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	O(S[4,5]C[5,6a]C[4]N[4]O[5])	S[4,5](C[5,6a]C[5,6a]C[6a])(C[4]C[6a]C[4]H)(N[4]C[6a]C[4])(O[5]C[5])(O){1|H<1>,4|C<4>,6|C<3>}	C[5,6a](S[4,5]C[4]N[4]O[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,3|C<4>,3|H<1>}	O(S[4,5]C[5,6a]C[4]N[4]O[5])	114.7360	0.000	1	114.7360	0.000	1	114.7360	0.000	1	114.7360	0.000	1	114.7360	0.000	1	114.7360	0.000	1
714	727	976	5:SPD5_SP2_SP3	S[4,5]	C[5,6a]	O[5]	3:4:3:2:1:	5:3:3:	5:4:	C[5,6a]-3:C[4]-4:N[4]-3:O[5]-2:O-1:	S[4,5]-5:C[5,6a]-3:C[6a]-3:	S[4,5]-5:C[5]-4:	S[4,5](C[5,6a]C[5,6a]C[6a])(C[4]C[6a]C[4]H)(N[4]C[6a]C[4])(O[5]C[5])(O)	C[5,6a](S[4,5]C[4]N[4]O[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	O[5](S[4,5]C[5,6a]C[4]N[4]O)(C[5]C[5,6a]CC)	S[4,5](C[5,6a]C[5,6a]C[6a])(C[4]C[6a]C[4]H)(N[4]C[6a]C[4])(O[5]C[5])(O){1|H<1>,4|C<4>,6|C<3>}	C[5,6a](S[4,5]C[4]N[4]O[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,3|C<4>,3|H<1>}	O[5](S[4,5]C[5,6a]C[4]N[4]O)(C[5]C[5,6a]CC){1|C<4>,1|H<1>,4|C<3>}	86.7077	0.000	1	86.7077	0.000	1	86.7077	0.000	1	86.7077	0.000	1	86.7077	0.000	1	86.7077	0.000	1
714	794	863	0:SPD5_SP2_SPD5	S[4,5,5]	C[4x4,5,5]	O	6:5:4:1:1:	7:5:2:2:1:	5:	C[3x3,4,5,5]-6:C[4x4,5,5]-5:C[5]-4:O-1:O-1:	C[3x3,3x4,5,5]-7:S[4,5,5]-5:H[4,4,5]-2:H[4,4,5]-2:H-1:	S[4,5,5]-5:	S[4,5,5](C[3x3,4,5,5]C[3x3,3x4,5,5]C[3,3x4,4x5]H[3]2H)(C[4x4,5,5]C[3x3,3x4,5,5]H[4,4,5]2H)(C[5]C[5]2H)(O)2	C[4x4,5,5](C[3x3,3x4,5,5]C[3,3x4,4x5]C[3x3,4,5,5]C[4,5,5]H[3]2H)(S[4,5,5]C[3x3,4,5,5]C[5]OO)(H[4,4,5]C[3,3x4,4x5])2(H)	O(S[4,5,5]C[3x3,4,5,5]C[4x4,5,5]C[5]O)	S[4,5,5](C[3x3,4,5,5]C[3x3,3x4,5,5]C[3,3x4,4x5]H[3]2H)(C[4x4,5,5]C[3x3,3x4,5,5]H[4,4,5]2H)(C[5]C[5]2H)(O)2{1|C<6>,1|N<3>,4|C<4>,4|H<1>}	C[4x4,5,5](C[3x3,3x4,5,5]C[3,3x4,4x5]C[3x3,4,5,5]C[4,5,5]H[3]2H)(S[4,5,5]C[3x3,4,5,5]C[5]OO)(H[4,4,5]C[3,3x4,4x5])2(H){2|H<2>,3|C<4>,6|H<1>}	O(S[4,5,5]C[3x3,4,5,5]C[4x4,5,5]C[5]O)	108.2044	17.018	2	108.2044	289.615	2	108.2044	289.615	2	108.2044	289.615	2	108.2044	289.615	2	108.2044	289.615	2
714	863	863	0:SPD5_SP2_SP2	S[4,5,5]	O	O	6:5:4:1:1:	5:	5:	C[3x3,4,5,5]-6:C[4x4,5,5]-5:C[5]-4:O-1:O-1:	S[4,5,5]-5:	S[4,5,5]-5:	S[4,5,5](C[3x3,4,5,5]C[3x3,3x4,5,5]C[3,3x4,4x5]H[3]2H)(C[4x4,5,5]C[3x3,3x4,5,5]H[4,4,5]2H)(C[5]C[5]2H)(O)2	O(S[4,5,5]C[3x3,4,5,5]C[4x4,5,5]C[5]O)	O(S[4,5,5]C[3x3,4,5,5]C[4x4,5,5]C[5]O)	S[4,5,5](C[3x3,4,5,5]C[3x3,3x4,5,5]C[3,3x4,4x5]H[3]2H)(C[4x4,5,5]C[3x3,3x4,5,5]H[4,4,5]2H)(C[5]C[5]2H)(O)2{1|C<6>,1|N<3>,4|C<4>,4|H<1>}	O(S[4,5,5]C[3x3,4,5,5]C[4x4,5,5]C[5]O)	O(S[4,5,5]C[3x3,4,5,5]C[4x4,5,5]C[5]O)	117.8790	0.000	1	117.8790	0.000	1	117.8790	0.000	1	117.8790	0.000	1	117.8790	0.000	1	117.8790	0.000	1
714	863	976	0:SPD5_SP2_SP3	S[4,5]	O	O[5]	3:4:3:2:1:	5:	5:4:	C[5,6a]-3:C[4]-4:N[4]-3:O[5]-2:O-1:	S[4,5]-5:	S[4,5]-5:C[5]-4:	S[4,5](C[5,6a]C[5,6a]C[6a])(C[4]C[6a]C[4]H)(N[4]C[6a]C[4])(O[5]C[5])(O)	O(S[4,5]C[5,6a]C[4]N[4]O[5])	O[5](S[4,5]C[5,6a]C[4]N[4]O)(C[5]C[5,6a]CC)	S[4,5](C[5,6a]C[5,6a]C[6a])(C[4]C[6a]C[4]H)(N[4]C[6a]C[4])(O[5]C[5])(O){1|H<1>,4|C<4>,6|C<3>}	O(S[4,5]C[5,6a]C[4]N[4]O[5])	O[5](S[4,5]C[5,6a]C[4]N[4]O)(C[5]C[5,6a]CC){1|C<4>,1|H<1>,4|C<3>}	93.8945	0.000	1	93.8945	0.000	1	93.8945	0.000	1	93.8945	0.000	1	93.8945	0.000	1	93.8945	0.000	1
718	74	74	4:SPD5_SP2_SP2	P[4,5,5]	N[4]	N[4]	3:3:3:2:2:	5:5:3:	5:5:3:	N[4]-3:N[4]-3:N[5,5]-3:O[5]-2:O[5]-2:	P[4,5,5]-5:P[4,5,5]-5:C[6a]-3:	P[4,5,5]-5:P[4,5,5]-5:C[6a]-3:	P[4,5,5](N[4]P[4,5,5]C[6a])2(N[5,5]C[5]2)(O[5]C[5])2	N[4](P[4,5,5]N[5,5]N[4]O[5]2)2(C[6a]C[6a]2)	N[4](P[4,5,5]N[5,5]N[4]O[5]2)2(C[6a]C[6a]2)	P[4,5,5](N[4]P[4,5,5]C[6a])2(N[5,5]C[5]2)(O[5]C[5])2{1|N<3>,2|C<4>,2|H<1>,2|O<2>,4|C<3>}	N[4](P[4,5,5]N[5,5]N[4]O[5]2)2(C[6a]C[6a]2){11|C<3>,2|C<4>}	N[4](P[4,5,5]N[5,5]N[4]O[5]2)2(C[6a]C[6a]2){11|C<3>,2|C<4>}	80.0025	0.000	1	79.7063	0.136	3	79.7063	0.136	3	79.7063	0.136	3	79.7063	0.136	3	79.5786	0.099	5
718	74	74	4:SPD5_SP2_SP2	P[4,5,5]	N[4]	N[4]	3:3:3:2:2:	5:5:3:	5:5:3:	N[4]-3:N[4]-3:N[5,5]-3:O[5]-2:O[5]-2:	P[4,5,5]-5:P[4,5,5]-5:C[6a]-3:	P[4,5,5]-5:P[4,5,5]-5:C[6a]-3:	P[4,5,5](N[4]P[4,5,5]C[6a])2(N[5,5]C[5]2)(O[5]C[5])2	N[4](P[4,5,5]N[5,5]N[4]O[5]2)2(C[6a]C[6a]2)	N[4](P[4,5,5]N[5,5]N[4]O[5]2)2(C[6a]C[6a]2)	P[4,5,5](N[4]P[4,5,5]C[6a])2(N[5,5]C[5]2)(O[5]C[5])2{1|N<3>,2|C<4>,2|H<1>,2|O<2>,4|C<3>}	N[4](P[4,5,5]N[5,5]N[4]O[5]2)2(C[6a]C[6a]2){11|C<3>,2|H<1>}	N[4](P[4,5,5]N[5,5]N[4]O[5]2)2(C[6a]C[6a]2){11|C<3>,2|H<1>}	79.5582	0.375	2	79.7063	0.136	3	79.7063	0.136	3	79.7063	0.136	3	79.7063	0.136	3	79.5786	0.099	5
718	74	74	4:SPD5_SP2_SP2	P[4]	N[4]	N[4]	3:3:2:2:2:	3:5:5:	3:5:5:	N[4]-3:N[4]-3:N-2:N-2:N-2:	C[6a]-3:P[4]-5:P[4]-5:	C[6a]-3:P[4]-5:P[4]-5:	P[4](N[4]C[6a]P[4])2(NN)3	N[4](C[6a]C[6a]2)(P[4]N[4]N3)2	N[4](C[6a]C[6a]2)(P[4]N[4]N3)2	P[4](N[4]C[6a]P[4])2(NN)3{3|N<2>,4|C<3>}	N[4](C[6a]C[6a]2)(P[4]N[4]N3)2{2|H<1>,3|C<3>}	N[4](C[6a]C[6a]2)(P[4]N[4]N3)2{2|H<1>,3|C<3>}	79.3871	0.030	2	79.3871	0.001	2	79.3871	0.001	2	79.3871	0.001	2	79.3871	0.001	2	79.5786	0.099	5
718	74	74	4:SPD5_SP3_SP3	P[4,5]	N[4]	N[4]	2:2:3:3:2:	5:3:4:	5:3:4:	O[5]-2:O[5]-2:N[4]-3:N[4]-3:O-2:	P[4,5]-5:P[4]-3:C-4:	P[4,5]-5:P[4]-3:C-4:	P[4,5](O[5]C[5,6a])2(N[4]P[4]C)2(OC)	N[4](P[4,5]N[4]O[5]2O)(P[4]N[4]O)(CC3)	N[4](P[4,5]N[4]O[5]2O)(P[4]N[4]O)(CC3)	P[4,5](O[5]C[5,6a])2(N[4]P[4]C)2(OC){1|O<2>,2|C<3>}	N[4](P[4,5]N[4]O[5]2O)(P[4]N[4]O)(CC3){1|C<4>,2|C<3>}	N[4](P[4,5]N[4]O[5]2O)(P[4]N[4]O)(CC3){1|C<4>,2|C<3>}	81.7405	0.000	1	81.7405	0.000	1	81.7405	0.000	1	81.7405	0.000	1	81.7405	0.000	1	81.7405	0.000	1
718	74	542	0:SPD5_SP2_SP2	P[4,5,5]	N[4]	N[5,5]	3:3:3:2:2:	5:5:3:	5:3:3:	N[4]-3:N[4]-3:N[5,5]-3:O[5]-2:O[5]-2:	P[4,5,5]-5:P[4,5,5]-5:C[6a]-3:	P[4,5,5]-5:C[5]-3:C[5]-3:	P[4,5,5](N[4]P[4,5,5]C[6a])2(N[5,5]C[5]2)(O[5]C[5])2	N[4](P[4,5,5]N[5,5]N[4]O[5]2)2(C[6a]C[6a]2)	N[5,5](P[4,5,5]N[4]2O[5]2)(C[5]C[5]H)2	P[4,5,5](N[4]P[4,5,5]C[6a])2(N[5,5]C[5]2)(O[5]C[5])2{1|N<3>,2|C<4>,2|H<1>,2|O<2>,4|C<3>}	N[4](P[4,5,5]N[5,5]N[4]O[5]2)2(C[6a]C[6a]2){11|C<3>,2|C<4>}	N[5,5](P[4,5,5]N[4]2O[5]2)(C[5]C[5]H)2{1|P<5>,2|C<3>,2|C<4>}	133.6028	54.347	2	137.3821	1864.584	6	137.3821	1864.584	6	137.3821	1864.584	6	137.3821	1864.584	6	137.3821	1864.584	6
718	74	542	0:SPD5_SP2_SP2	P[4,5,5]	N[4]	N[5,5]	3:3:3:2:2:	5:5:3:	5:3:3:	N[4]-3:N[4]-3:N[5,5]-3:O[5]-2:O[5]-2:	P[4,5,5]-5:P[4,5,5]-5:C[6a]-3:	P[4,5,5]-5:C[5]-3:C[5]-3:	P[4,5,5](N[4]P[4,5,5]C[6a])2(N[5,5]C[5]2)(O[5]C[5])2	N[4](P[4,5,5]N[5,5]N[4]O[5]2)2(C[6a]C[6a]2)	N[5,5](P[4,5,5]N[4]2O[5]2)(C[5]C[5]H)2	P[4,5,5](N[4]P[4,5,5]C[6a])2(N[5,5]C[5]2)(O[5]C[5])2{1|N<3>,2|C<4>,2|H<1>,2|O<2>,4|C<3>}	N[4](P[4,5,5]N[5,5]N[4]O[5]2)2(C[6a]C[6a]2){11|C<3>,2|H<1>}	N[5,5](P[4,5,5]N[4]2O[5]2)(C[5]C[5]H)2{1|P<5>,2|C<3>,2|C<4>}	139.2717	45.922	4	137.3821	1864.584	6	137.3821	1864.584	6	137.3821	1864.584	6	137.3821	1864.584	6	137.3821	1864.584	6
718	74	893	0:SPD5_SP2_SP3	P[4,5,5]	N[4]	O	4:3:2:2:2:	5:4:3:	5:4:	N[4,5,5]-4:N[4]-3:O[5]-2:O[5]-2:O-2:	P[4,5,5]-5:B[4,5a]-4:C[6a]-3:	P[4,5,5]-5:C-4:	P[4,5,5](N[4,5,5]B[4,5a]C[5]2)(N[4]B[4,5a]C[6a])(O[5]C[5])2(OC)	N[4](P[4,5,5]N[4,5,5]O[5]2O)(B[4,5a]N[4,5,5]O[5a]2)(C[6a]C[6a]2)	O(P[4,5,5]N[4,5,5]N[4]O[5]2)(CCHH)	P[4,5,5](N[4,5,5]B[4,5a]C[5]2)(N[4]B[4,5a]C[6a])(O[5]C[5])2(OC){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	N[4](P[4,5,5]N[4,5,5]O[5]2O)(B[4,5a]N[4,5,5]O[5a]2)(C[6a]C[6a]2){2|C<4>,8|C<3>}	O(P[4,5,5]N[4,5,5]N[4]O[5]2)(CCHH)	98.1687	0.000	1	98.1687	0.000	1	98.1687	0.000	1	98.1687	0.000	1	98.1687	0.000	1	98.1687	0.000	1
718	74	893	0:SPD5_SP3_SP3	P[4,5]	N[4]	O	2:2:3:3:2:	5:3:4:	5:4:	O[5]-2:O[5]-2:N[4]-3:N[4]-3:O-2:	P[4,5]-5:P[4]-3:C-4:	P[4,5]-5:C-4:	P[4,5](O[5]C[5,6a])2(N[4]P[4]C)2(OC)	N[4](P[4,5]N[4]O[5]2O)(P[4]N[4]O)(CC3)	O(P[4,5]N[4]2O[5]2)(CCHH)	P[4,5](O[5]C[5,6a])2(N[4]P[4]C)2(OC){1|O<2>,2|C<3>}	N[4](P[4,5]N[4]O[5]2O)(P[4]N[4]O)(CC3){1|C<4>,2|C<3>}	O(P[4,5]N[4]2O[5]2)(CCHH)	107.9008	13.952	2	107.9008	194.646	2	107.9008	194.646	2	107.9008	194.646	2	107.9008	194.646	2	107.9008	194.646	2
718	74	941	0:SPD5_SP2_SP2	P[4]	N[4]	N	3:3:2:2:2:	3:5:5:	5:2:	N[4]-3:N[4]-3:N-2:N-2:N-2:	C[6a]-3:P[4]-5:P[4]-5:	P[4]-5:N-2:	P[4](N[4]C[6a]P[4])2(NN)3	N[4](C[6a]C[6a]2)(P[4]N[4]N3)2	N(P[4]N[4]2NN)(NN)	P[4](N[4]C[6a]P[4])2(NN)3{3|N<2>,4|C<3>}	N[4](C[6a]C[6a]2)(P[4]N[4]N3)2{2|H<1>,3|C<3>}	N(P[4]N[4]2NN)(NN)	115.6901	31.213	12	115.6901	974.226	12	115.6901	974.226	12	115.6901	974.226	12	115.6901	974.226	12	115.6901	974.226	12
718	74	976	0:SPD5_SP2_SP2	P[4,5,5]	N[4]	O[5]	3:3:3:2:2:	5:5:3:	5:3:	N[4]-3:N[4]-3:N[5,5]-3:O[5]-2:O[5]-2:	P[4,5,5]-5:P[4,5,5]-5:C[6a]-3:	P[4,5,5]-5:C[5]-3:	P[4,5,5](N[4]P[4,5,5]C[6a])2(N[5,5]C[5]2)(O[5]C[5])2	N[4](P[4,5,5]N[5,5]N[4]O[5]2)2(C[6a]C[6a]2)	O[5](P[4,5,5]N[5,5]N[4]2O[5])(C[5]C[5]C)	P[4,5,5](N[4]P[4,5,5]C[6a])2(N[5,5]C[5]2)(O[5]C[5])2{1|N<3>,2|C<4>,2|H<1>,2|O<2>,4|C<3>}	N[4](P[4,5,5]N[5,5]N[4]O[5]2)2(C[6a]C[6a]2){11|C<3>,2|C<4>}	O[5](P[4,5,5]N[5,5]N[4]2O[5])(C[5]C[5]C){1|H<1>,1|P<5>,4|C<3>}	108.0470	19.764	4	105.5312	244.148	12	105.5312	244.148	12	105.5312	244.148	12	107.8513	241.374	14	107.8513	241.374	14
718	74	976	0:SPD5_SP2_SP2	P[4,5,5]	N[4]	O[5]	3:3:3:2:2:	5:5:3:	5:3:	N[4]-3:N[4]-3:N[5,5]-3:O[5]-2:O[5]-2:	P[4,5,5]-5:P[4,5,5]-5:C[6a]-3:	P[4,5,5]-5:C[5]-3:	P[4,5,5](N[4]P[4,5,5]C[6a])2(N[5,5]C[5]2)(O[5]C[5])2	N[4](P[4,5,5]N[5,5]N[4]O[5]2)2(C[6a]C[6a]2)	O[5](P[4,5,5]N[5,5]N[4]2O[5])(C[5]C[5]C)	P[4,5,5](N[4]P[4,5,5]C[6a])2(N[5,5]C[5]2)(O[5]C[5])2{1|N<3>,2|C<4>,2|H<1>,2|O<2>,4|C<3>}	N[4](P[4,5,5]N[5,5]N[4]O[5]2)2(C[6a]C[6a]2){11|C<3>,2|H<1>}	O[5](P[4,5,5]N[5,5]N[4]2O[5])(C[5]C[5]C){1|H<1>,1|P<5>,4|C<3>}	104.2733	14.520	8	105.5312	244.148	12	105.5312	244.148	12	105.5312	244.148	12	107.8513	241.374	14	107.8513	241.374	14
718	74	976	0:SPD5_SP2_SP2	P[4,5,5]	N[4]	O[5]	4:3:2:2:2:	5:4:3:	5:3:	N[4,5,5]-4:N[4]-3:O[5]-2:O[5]-2:O-2:	P[4,5,5]-5:B[4,5a]-4:C[6a]-3:	P[4,5,5]-5:C[5]-3:	P[4,5,5](N[4,5,5]B[4,5a]C[5]2)(N[4]B[4,5a]C[6a])(O[5]C[5])2(OC)	N[4](P[4,5,5]N[4,5,5]O[5]2O)(B[4,5a]N[4,5,5]O[5a]2)(C[6a]C[6a]2)	O[5](P[4,5,5]N[4,5,5]N[4]O[5]O)(C[5]C[5]C)	P[4,5,5](N[4,5,5]B[4,5a]C[5]2)(N[4]B[4,5a]C[6a])(O[5]C[5])2(OC){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	N[4](P[4,5,5]N[4,5,5]O[5]2O)(B[4,5a]N[4,5,5]O[5a]2)(C[6a]C[6a]2){2|C<4>,8|C<3>}	O[5](P[4,5,5]N[4,5,5]N[4]O[5]O)(C[5]C[5]C){1|B<4>,1|H<1>,3|C<3>}	121.7720	0.253	2	121.7720	0.064	2	121.7720	0.064	2	121.7720	0.064	2	107.8513	241.374	14	107.8513	241.374	14
718	74	976	0:SPD5_SP2_SP3	P[4,5]	N[4]	O[5]	2:2:3:3:2:	5:3:4:	3:5:	O[5]-2:O[5]-2:N[4]-3:N[4]-3:O-2:	P[4,5]-5:P[4]-3:C-4:	C[5,6a]-3:P[4,5]-5:	P[4,5](O[5]C[5,6a])2(N[4]P[4]C)2(OC)	N[4](P[4,5]N[4]O[5]2O)(P[4]N[4]O)(CC3)	O[5](C[5,6a]C[5,6a]C[6a])(P[4,5]N[4]2O[5]O)	P[4,5](O[5]C[5,6a])2(N[4]P[4]C)2(OC){1|O<2>,2|C<3>}	N[4](P[4,5]N[4]O[5]2O)(P[4]N[4]O)(CC3){1|C<4>,2|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(P[4,5]N[4]2O[5]O){1|Cl<1>,1|P<3>,2|C<3>,2|C<4>}	120.3696	37.112	4	120.3696	1377.269	4	120.3696	1377.269	4	120.3696	1377.269	4	120.3696	1377.269	4	120.3696	1377.269	4
718	74	980	4:SPD5_SP2_SP3	P[4,5,5]	N[4]	N[4,5,5]	4:3:2:2:2:	5:4:3:	5:4:3:3:	N[4,5,5]-4:N[4]-3:O[5]-2:O[5]-2:O-2:	P[4,5,5]-5:B[4,5a]-4:C[6a]-3:	P[4,5,5]-5:B[4,5a]-4:C[5]-3:C[5]-3:	P[4,5,5](N[4,5,5]B[4,5a]C[5]2)(N[4]B[4,5a]C[6a])(O[5]C[5])2(OC)	N[4](P[4,5,5]N[4,5,5]O[5]2O)(B[4,5a]N[4,5,5]O[5a]2)(C[6a]C[6a]2)	N[4,5,5](P[4,5,5]N[4]O[5]2O)(B[4,5a]O[5a]2N[4])(C[5]C[5]H)2	P[4,5,5](N[4,5,5]B[4,5a]C[5]2)(N[4]B[4,5a]C[6a])(O[5]C[5])2(OC){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	N[4](P[4,5,5]N[4,5,5]O[5]2O)(B[4,5a]N[4,5,5]O[5a]2)(C[6a]C[6a]2){2|C<4>,8|C<3>}	N[4,5,5](P[4,5,5]N[4]O[5]2O)(B[4,5a]O[5a]2N[4])(C[5]C[5]H)2{2|C<4>,3|C<3>}	77.5879	0.000	1	77.5879	0.000	1	77.5879	0.000	1	77.5879	0.000	1	77.5879	0.000	1	77.5879	0.000	1
718	226	478	4:SPD5_SP3_SP3	P[4,5]	O[4]	C[4]	3:3:4:2:2:	5:4:	5:4:1:1:	C[5,6a]-3:C[6a]-3:C[4]-4:O[4]-2:O[5]-2:	P[4,5]-5:C[4]-4:	P[4,5]-5:C[4]-4:H-1:H-1:	P[4,5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[4]C[4]HH)(O[4]C[4])(O[5]C[5])	O[4](P[4,5]C[5,6a]C[6a]C[4]O[5])(C[4]C[4]CC)	C[4](P[4,5]C[5,6a]C[6a]O[4]O[5])(C[4]O[4]CC)(H)2	P[4,5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[4]C[4]HH)(O[4]C[4])(O[5]C[5]){3|H<1>,4|C<3>,4|C<4>}	O[4](P[4,5]C[5,6a]C[6a]C[4]O[5])(C[4]C[4]CC){1|C<4>,2|H<1>,4|C<3>}	C[4](P[4,5]C[5,6a]C[6a]O[4]O[5])(C[4]O[4]CC)(H)2{1|C<4>,4|C<3>}	76.3552	0.154	4	76.3552	0.024	4	76.3552	0.024	4	76.3552	0.024	4	76.7315	0.232	7	76.7315	0.232	7
718	226	478	4:SPD5_SP3_SP3	P[4,5]	O[4]	C[4]	3:3:4:3:2:	5:4:	5:4:4:4:	C[5,6a]-3:C[6a]-3:C[4]-4:N[5]-3:O[4]-2:	P[4,5]-5:C[4]-4:	P[4,5]-5:C[4]-4:C-4:C-4:	P[4,5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[4]C[4]CC)(N[5]C[5]H)(O[4]C[4])	O[4](P[4,5]C[5,6a]C[6a]C[4]N[5])(C[4]C[4]CH)	C[4](P[4,5]C[5,6a]C[6a]N[5]O[4])(C[4]O[4]CH)(CH3)2	P[4,5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[4]C[4]CC)(N[5]C[5]H)(O[4]C[4]){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	O[4](P[4,5]C[5,6a]C[6a]C[4]N[5])(C[4]C[4]CH){1|H<1>,2|C<4>,5|C<3>}	C[4](P[4,5]C[5,6a]C[6a]N[5]O[4])(C[4]O[4]CH)(CH3)2{1|H<1>,5|C<3>}	77.2509	0.000	2	77.2509	0.000	2	77.2509	0.000	2	77.2509	0.000	2	76.7315	0.232	7	76.7315	0.232	7
718	226	478	4:SPD5_SP3_SP3	P[4,5]	O[4]	C[4]	3:4:2:3:3:	5:4:	5:4:4:1:	C[5,6a]-3:C[4]-4:O[4]-2:C[6a]-3:N[5]-3:	P[4,5]-5:C[4,5,6]-4:	P[4,5]-5:C[4,5,6]-4:C-4:H-1:	P[4,5](C[5,6a]C[5,6a]C[6a])(C[4]C[4,5,6]CH)(O[4]C[4,5,6])(C[6a]C[6a]2)(N[5]C[5]H)	O[4](P[4,5]C[5,6a]C[6a]C[4]N[5])(C[4,5,6]C[5,5,6]C[5,6]C[4])	C[4](P[4,5]C[5,6a]C[6a]N[5]O[4])(C[4,5,6]C[5,5,6]C[5,6]O[4])(CH3)(H)	P[4,5](C[5,6a]C[5,6a]C[6a])(C[4]C[4,5,6]CH)(O[4]C[4,5,6])(C[6a]C[6a]2)(N[5]C[5]H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	O[4](P[4,5]C[5,6a]C[6a]C[4]N[5])(C[4,5,6]C[5,5,6]C[5,6]C[4]){4|H<1>,5|C<3>,5|C<4>}	C[4](P[4,5]C[5,6a]C[6a]N[5]O[4])(C[4,5,6]C[5,5,6]C[5,6]O[4])(CH3)(H){3|H<1>,4|C<4>,5|C<3>}	77.1981	0.000	1	77.1981	0.000	1	77.1981	0.000	1	77.1981	0.000	1	76.7315	0.232	7	76.7315	0.232	7
718	226	542	0:SPD5_SP2_SP3	P[4,5]	O[4]	N[5]	3:3:4:3:2:	5:4:	5:3:1:	C[5,6a]-3:C[6a]-3:C[4]-4:N[5]-3:O[4]-2:	P[4,5]-5:C[4]-4:	P[4,5]-5:C[5]-3:H-1:	P[4,5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[4]C[4]CC)(N[5]C[5]H)(O[4]C[4])	O[4](P[4,5]C[5,6a]C[6a]C[4]N[5])(C[4]C[4]CH)	N[5](P[4,5]C[5,6a]C[6a]C[4]O[4])(C[5]C[5,6a]O)(H)	P[4,5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[4]C[4]CC)(N[5]C[5]H)(O[4]C[4]){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	O[4](P[4,5]C[5,6a]C[6a]C[4]N[5])(C[4]C[4]CH){1|H<1>,2|C<4>,5|C<3>}	N[5](P[4,5]C[5,6a]C[6a]C[4]O[4])(C[5]C[5,6a]O)(H){3|C<4>,4|C<3>}	166.0930	0.000	2	166.0930	0.000	2	166.0930	0.000	2	166.0930	0.000	2	166.2810	0.106	3	166.2810	0.106	3
718	226	542	0:SPD5_SP2_SP3	P[4,5]	O[4]	N[5]	3:4:2:3:3:	5:4:	5:3:1:	C[5,6a]-3:C[4]-4:O[4]-2:C[6a]-3:N[5]-3:	P[4,5]-5:C[4,5,6]-4:	P[4,5]-5:C[5]-3:H-1:	P[4,5](C[5,6a]C[5,6a]C[6a])(C[4]C[4,5,6]CH)(O[4]C[4,5,6])(C[6a]C[6a]2)(N[5]C[5]H)	O[4](P[4,5]C[5,6a]C[6a]C[4]N[5])(C[4,5,6]C[5,5,6]C[5,6]C[4])	N[5](P[4,5]C[5,6a]C[6a]C[4]O[4])(C[5]C[5,6a]O)(H)	P[4,5](C[5,6a]C[5,6a]C[6a])(C[4]C[4,5,6]CH)(O[4]C[4,5,6])(C[6a]C[6a]2)(N[5]C[5]H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	O[4](P[4,5]C[5,6a]C[6a]C[4]N[5])(C[4,5,6]C[5,5,6]C[5,6]C[4]){4|H<1>,5|C<3>,5|C<4>}	N[5](P[4,5]C[5,6a]C[6a]C[4]O[4])(C[5]C[5,6a]O)(H){1|H<1>,2|C<4>,4|C<3>}	166.6570	0.000	1	166.6570	0.000	1	166.6570	0.000	1	166.6570	0.000	1	166.2810	0.106	3	166.2810	0.106	3
718	226	643	0:SPD5_SP2_SP3	P[4,5]	O[4]	C[6a]	3:3:4:2:2:	5:4:	5:3:3:	C[5,6a]-3:C[6a]-3:C[4]-4:O[4]-2:O[5]-2:	P[4,5]-5:C[4]-4:	P[4,5]-5:C[6a]-3:C[6a]-3:	P[4,5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[4]C[4]HH)(O[4]C[4])(O[5]C[5])	O[4](P[4,5]C[5,6a]C[6a]C[4]O[5])(C[4]C[4]CC)	C[6a](P[4,5]C[5,6a]C[4]O[4]O[5])(C[6a]C[6a]H)2	P[4,5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[4]C[4]HH)(O[4]C[4])(O[5]C[5]){3|H<1>,4|C<3>,4|C<4>}	O[4](P[4,5]C[5,6a]C[6a]C[4]O[5])(C[4]C[4]CC){1|C<4>,2|H<1>,4|C<3>}	C[6a](P[4,5]C[5,6a]C[4]O[4]O[5])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	94.2086	0.788	4	94.2086	0.622	4	94.2086	0.622	4	94.2086	0.622	4	95.4191	2.687	7	95.4191	2.687	7
718	226	643	0:SPD5_SP2_SP3	P[4,5]	O[4]	C[6a]	3:3:4:3:2:	5:4:	5:3:3:	C[5,6a]-3:C[6a]-3:C[4]-4:N[5]-3:O[4]-2:	P[4,5]-5:C[4]-4:	P[4,5]-5:C[6a]-3:C[6a]-3:	P[4,5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[4]C[4]CC)(N[5]C[5]H)(O[4]C[4])	O[4](P[4,5]C[5,6a]C[6a]C[4]N[5])(C[4]C[4]CH)	C[6a](P[4,5]C[5,6a]C[4]N[5]O[4])(C[6a]C[6a]H)2	P[4,5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[4]C[4]CC)(N[5]C[5]H)(O[4]C[4]){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	O[4](P[4,5]C[5,6a]C[6a]C[4]N[5])(C[4]C[4]CH){1|H<1>,2|C<4>,5|C<3>}	C[6a](P[4,5]C[5,6a]C[4]N[5]O[4])(C[6a]C[6a]H)2{3|C<4>,3|H<1>,4|C<3>}	97.3439	0.000	2	97.3439	0.000	2	97.3439	0.000	2	97.3439	0.000	2	95.4191	2.687	7	95.4191	2.687	7
718	226	643	0:SPD5_SP2_SP3	P[4,5]	O[4]	C[6a]	3:4:2:3:3:	5:4:	5:3:3:	C[5,6a]-3:C[4]-4:O[4]-2:C[6a]-3:N[5]-3:	P[4,5]-5:C[4,5,6]-4:	P[4,5]-5:C[6a]-3:C[6a]-3:	P[4,5](C[5,6a]C[5,6a]C[6a])(C[4]C[4,5,6]CH)(O[4]C[4,5,6])(C[6a]C[6a]2)(N[5]C[5]H)	O[4](P[4,5]C[5,6a]C[6a]C[4]N[5])(C[4,5,6]C[5,5,6]C[5,6]C[4])	C[6a](P[4,5]C[5,6a]C[4]N[5]O[4])(C[6a]C[6a]H)2	P[4,5](C[5,6a]C[5,6a]C[6a])(C[4]C[4,5,6]CH)(O[4]C[4,5,6])(C[6a]C[6a]2)(N[5]C[5]H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	O[4](P[4,5]C[5,6a]C[6a]C[4]N[5])(C[4,5,6]C[5,5,6]C[5,6]C[4]){4|H<1>,5|C<3>,5|C<4>}	C[6a](P[4,5]C[5,6a]C[4]N[5]O[4])(C[6a]C[6a]H)2{2|C<4>,4|C<3>,4|H<1>}	96.4119	0.000	1	96.4119	0.000	1	96.4119	0.000	1	96.4119	0.000	1	95.4191	2.687	7	95.4191	2.687	7
718	226	727	0:SPD5_SP2_SP3	P[4,5]	O[4]	C[5,6a]	3:3:4:2:2:	5:4:	5:3:3:	C[5,6a]-3:C[6a]-3:C[4]-4:O[4]-2:O[5]-2:	P[4,5]-5:C[4]-4:	P[4,5]-5:C[5,6a]-3:C[6a]-3:	P[4,5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[4]C[4]HH)(O[4]C[4])(O[5]C[5])	O[4](P[4,5]C[5,6a]C[6a]C[4]O[5])(C[4]C[4]CC)	C[5,6a](P[4,5]C[6a]C[4]O[4]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	P[4,5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[4]C[4]HH)(O[4]C[4])(O[5]C[5]){3|H<1>,4|C<3>,4|C<4>}	O[4](P[4,5]C[5,6a]C[6a]C[4]O[5])(C[4]C[4]CC){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](P[4,5]C[6a]C[4]O[4]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	93.8840	1.212	4	93.8840	1.469	4	93.8840	1.469	4	93.8840	1.469	4	93.1409	1.687	7	93.1409	1.687	7
718	226	727	0:SPD5_SP2_SP3	P[4,5]	O[4]	C[5,6a]	3:3:4:3:2:	5:4:	5:3:3:	C[5,6a]-3:C[6a]-3:C[4]-4:N[5]-3:O[4]-2:	P[4,5]-5:C[4]-4:	P[4,5]-5:C[5,6a]-3:C[6a]-3:	P[4,5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[4]C[4]CC)(N[5]C[5]H)(O[4]C[4])	O[4](P[4,5]C[5,6a]C[6a]C[4]N[5])(C[4]C[4]CH)	C[5,6a](P[4,5]C[6a]C[4]N[5]O[4])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	P[4,5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[4]C[4]CC)(N[5]C[5]H)(O[4]C[4]){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	O[4](P[4,5]C[5,6a]C[6a]C[4]N[5])(C[4]C[4]CH){1|H<1>,2|C<4>,5|C<3>}	C[5,6a](P[4,5]C[6a]C[4]N[5]O[4])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	91.8445	0.000	2	91.8445	0.000	2	91.8445	0.000	2	91.8445	0.000	2	93.1409	1.687	7	93.1409	1.687	7
718	226	727	0:SPD5_SP2_SP3	P[4,5]	O[4]	C[5,6a]	3:4:2:3:3:	5:4:	5:3:3:	C[5,6a]-3:C[4]-4:O[4]-2:C[6a]-3:N[5]-3:	P[4,5]-5:C[4,5,6]-4:	P[4,5]-5:C[5,6a]-3:C[6a]-3:	P[4,5](C[5,6a]C[5,6a]C[6a])(C[4]C[4,5,6]CH)(O[4]C[4,5,6])(C[6a]C[6a]2)(N[5]C[5]H)	O[4](P[4,5]C[5,6a]C[6a]C[4]N[5])(C[4,5,6]C[5,5,6]C[5,6]C[4])	C[5,6a](P[4,5]C[6a]C[4]N[5]O[4])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	P[4,5](C[5,6a]C[5,6a]C[6a])(C[4]C[4,5,6]CH)(O[4]C[4,5,6])(C[6a]C[6a]2)(N[5]C[5]H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	O[4](P[4,5]C[5,6a]C[6a]C[4]N[5])(C[4,5,6]C[5,5,6]C[5,6]C[4]){4|H<1>,5|C<3>,5|C<4>}	C[5,6a](P[4,5]C[6a]C[4]N[5]O[4])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	92.7609	0.000	1	92.7609	0.000	1	92.7609	0.000	1	92.7609	0.000	1	93.1409	1.687	7	93.1409	1.687	7
718	226	976	0:SPD5_SP3_SP3	P[4,5]	O[4]	O[5]	3:3:4:2:2:	5:4:	5:4:	C[5,6a]-3:C[6a]-3:C[4]-4:O[4]-2:O[5]-2:	P[4,5]-5:C[4]-4:	P[4,5]-5:C[5]-4:	P[4,5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[4]C[4]HH)(O[4]C[4])(O[5]C[5])	O[4](P[4,5]C[5,6a]C[6a]C[4]O[5])(C[4]C[4]CC)	O[5](P[4,5]C[5,6a]C[6a]C[4]O[4])(C[5]C[5,6a]CC)	P[4,5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[4]C[4]HH)(O[4]C[4])(O[5]C[5]){3|H<1>,4|C<3>,4|C<4>}	O[4](P[4,5]C[5,6a]C[6a]C[4]O[5])(C[4]C[4]CC){1|C<4>,2|H<1>,4|C<3>}	O[5](P[4,5]C[5,6a]C[6a]C[4]O[4])(C[5]C[5,6a]CC){1|C<4>,2|H<1>,4|C<3>}	168.0343	0.391	4	168.0343	0.153	4	168.0343	0.153	4	168.0343	0.153	4	168.0343	0.153	4	168.0343	0.153	4
718	478	542	0:SPD5_SP2_SP3	P[4,5]	C[4]	N[5]	3:3:4:3:2:	5:4:4:4:	5:3:1:	C[5,6a]-3:C[6a]-3:C[4]-4:N[5]-3:O[4]-2:	P[4,5]-5:C[4]-4:C-4:C-4:	P[4,5]-5:C[5]-3:H-1:	P[4,5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[4]C[4]CC)(N[5]C[5]H)(O[4]C[4])	C[4](P[4,5]C[5,6a]C[6a]N[5]O[4])(C[4]O[4]CH)(CH3)2	N[5](P[4,5]C[5,6a]C[6a]C[4]O[4])(C[5]C[5,6a]O)(H)	P[4,5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[4]C[4]CC)(N[5]C[5]H)(O[4]C[4]){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[4](P[4,5]C[5,6a]C[6a]N[5]O[4])(C[4]O[4]CH)(CH3)2{1|H<1>,5|C<3>}	N[5](P[4,5]C[5,6a]C[6a]C[4]O[4])(C[5]C[5,6a]O)(H){3|C<4>,4|C<3>}	94.6314	0.000	2	94.6314	0.000	2	94.6314	0.000	2	94.6314	0.000	2	94.6342	0.000	3	94.6342	0.000	3
718	478	542	0:SPD5_SP2_SP3	P[4,5]	C[4]	N[5]	3:4:2:3:3:	5:4:4:1:	5:3:1:	C[5,6a]-3:C[4]-4:O[4]-2:C[6a]-3:N[5]-3:	P[4,5]-5:C[4,5,6]-4:C-4:H-1:	P[4,5]-5:C[5]-3:H-1:	P[4,5](C[5,6a]C[5,6a]C[6a])(C[4]C[4,5,6]CH)(O[4]C[4,5,6])(C[6a]C[6a]2)(N[5]C[5]H)	C[4](P[4,5]C[5,6a]C[6a]N[5]O[4])(C[4,5,6]C[5,5,6]C[5,6]O[4])(CH3)(H)	N[5](P[4,5]C[5,6a]C[6a]C[4]O[4])(C[5]C[5,6a]O)(H)	P[4,5](C[5,6a]C[5,6a]C[6a])(C[4]C[4,5,6]CH)(O[4]C[4,5,6])(C[6a]C[6a]2)(N[5]C[5]H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[4](P[4,5]C[5,6a]C[6a]N[5]O[4])(C[4,5,6]C[5,5,6]C[5,6]O[4])(CH3)(H){3|H<1>,4|C<4>,5|C<3>}	N[5](P[4,5]C[5,6a]C[6a]C[4]O[4])(C[5]C[5,6a]O)(H){1|H<1>,2|C<4>,4|C<3>}	94.6397	0.000	1	94.6397	0.000	1	94.6397	0.000	1	94.6397	0.000	1	94.6342	0.000	3	94.6342	0.000	3
718	478	643	0:SPD5_SP2_SP3	P[4,5]	C[4]	C[6a]	3:3:4:2:2:	5:4:1:1:	5:3:3:	C[5,6a]-3:C[6a]-3:C[4]-4:O[4]-2:O[5]-2:	P[4,5]-5:C[4]-4:H-1:H-1:	P[4,5]-5:C[6a]-3:C[6a]-3:	P[4,5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[4]C[4]HH)(O[4]C[4])(O[5]C[5])	C[4](P[4,5]C[5,6a]C[6a]O[4]O[5])(C[4]O[4]CC)(H)2	C[6a](P[4,5]C[5,6a]C[4]O[4]O[5])(C[6a]C[6a]H)2	P[4,5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[4]C[4]HH)(O[4]C[4])(O[5]C[5]){3|H<1>,4|C<3>,4|C<4>}	C[4](P[4,5]C[5,6a]C[6a]O[4]O[5])(C[4]O[4]CC)(H)2{1|C<4>,4|C<3>}	C[6a](P[4,5]C[5,6a]C[4]O[4]O[5])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	118.7452	2.251	4	118.7452	5.067	4	118.7452	5.067	4	118.7452	5.067	4	117.0560	6.997	7	117.0560	6.997	7
718	478	643	0:SPD5_SP2_SP3	P[4,5]	C[4]	C[6a]	3:3:4:3:2:	5:4:4:4:	5:3:3:	C[5,6a]-3:C[6a]-3:C[4]-4:N[5]-3:O[4]-2:	P[4,5]-5:C[4]-4:C-4:C-4:	P[4,5]-5:C[6a]-3:C[6a]-3:	P[4,5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[4]C[4]CC)(N[5]C[5]H)(O[4]C[4])	C[4](P[4,5]C[5,6a]C[6a]N[5]O[4])(C[4]O[4]CH)(CH3)2	C[6a](P[4,5]C[5,6a]C[4]N[5]O[4])(C[6a]C[6a]H)2	P[4,5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[4]C[4]CC)(N[5]C[5]H)(O[4]C[4]){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[4](P[4,5]C[5,6a]C[6a]N[5]O[4])(C[4]O[4]CH)(CH3)2{1|H<1>,5|C<3>}	C[6a](P[4,5]C[5,6a]C[4]N[5]O[4])(C[6a]C[6a]H)2{3|C<4>,3|H<1>,4|C<3>}	114.9620	0.000	2	114.9620	0.000	2	114.9620	0.000	2	114.9620	0.000	2	117.0560	6.997	7	117.0560	6.997	7
718	478	643	0:SPD5_SP2_SP3	P[4,5]	C[4]	C[6a]	3:4:2:3:3:	5:4:4:1:	5:3:3:	C[5,6a]-3:C[4]-4:O[4]-2:C[6a]-3:N[5]-3:	P[4,5]-5:C[4,5,6]-4:C-4:H-1:	P[4,5]-5:C[6a]-3:C[6a]-3:	P[4,5](C[5,6a]C[5,6a]C[6a])(C[4]C[4,5,6]CH)(O[4]C[4,5,6])(C[6a]C[6a]2)(N[5]C[5]H)	C[4](P[4,5]C[5,6a]C[6a]N[5]O[4])(C[4,5,6]C[5,5,6]C[5,6]O[4])(CH3)(H)	C[6a](P[4,5]C[5,6a]C[4]N[5]O[4])(C[6a]C[6a]H)2	P[4,5](C[5,6a]C[5,6a]C[6a])(C[4]C[4,5,6]CH)(O[4]C[4,5,6])(C[6a]C[6a]2)(N[5]C[5]H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[4](P[4,5]C[5,6a]C[6a]N[5]O[4])(C[4,5,6]C[5,5,6]C[5,6]O[4])(CH3)(H){3|H<1>,4|C<4>,5|C<3>}	C[6a](P[4,5]C[5,6a]C[4]N[5]O[4])(C[6a]C[6a]H)2{2|C<4>,4|C<3>,4|H<1>}	114.4870	0.000	1	114.4870	0.000	1	114.4870	0.000	1	114.4870	0.000	1	117.0560	6.997	7	117.0560	6.997	7
718	478	727	0:SPD5_SP2_SP3	P[4,5]	C[4]	C[5,6a]	3:3:4:2:2:	5:4:1:1:	5:3:3:	C[5,6a]-3:C[6a]-3:C[4]-4:O[4]-2:O[5]-2:	P[4,5]-5:C[4]-4:H-1:H-1:	P[4,5]-5:C[5,6a]-3:C[6a]-3:	P[4,5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[4]C[4]HH)(O[4]C[4])(O[5]C[5])	C[4](P[4,5]C[5,6a]C[6a]O[4]O[5])(C[4]O[4]CC)(H)2	C[5,6a](P[4,5]C[6a]C[4]O[4]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	P[4,5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[4]C[4]HH)(O[4]C[4])(O[5]C[5]){3|H<1>,4|C<3>,4|C<4>}	C[4](P[4,5]C[5,6a]C[6a]O[4]O[5])(C[4]O[4]CC)(H)2{1|C<4>,4|C<3>}	C[5,6a](P[4,5]C[6a]C[4]O[4]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	124.6550	1.474	4	124.6550	2.171	4	124.6550	2.171	4	124.6550	2.171	4	128.0151	18.915	7	128.0151	18.915	7
718	478	727	0:SPD5_SP2_SP3	P[4,5]	C[4]	C[5,6a]	3:3:4:3:2:	5:4:4:4:	5:3:3:	C[5,6a]-3:C[6a]-3:C[4]-4:N[5]-3:O[4]-2:	P[4,5]-5:C[4]-4:C-4:C-4:	P[4,5]-5:C[5,6a]-3:C[6a]-3:	P[4,5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[4]C[4]CC)(N[5]C[5]H)(O[4]C[4])	C[4](P[4,5]C[5,6a]C[6a]N[5]O[4])(C[4]O[4]CH)(CH3)2	C[5,6a](P[4,5]C[6a]C[4]N[5]O[4])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	P[4,5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[4]C[4]CC)(N[5]C[5]H)(O[4]C[4]){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[4](P[4,5]C[5,6a]C[6a]N[5]O[4])(C[4]O[4]CH)(CH3)2{1|H<1>,5|C<3>}	C[5,6a](P[4,5]C[6a]C[4]N[5]O[4])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	131.9790	0.000	2	131.9790	0.000	2	131.9790	0.000	2	131.9790	0.000	2	128.0151	18.915	7	128.0151	18.915	7
718	478	727	0:SPD5_SP2_SP3	P[4,5]	C[4]	C[5,6a]	3:4:2:3:3:	5:4:4:1:	5:3:3:	C[5,6a]-3:C[4]-4:O[4]-2:C[6a]-3:N[5]-3:	P[4,5]-5:C[4,5,6]-4:C-4:H-1:	P[4,5]-5:C[5,6a]-3:C[6a]-3:	P[4,5](C[5,6a]C[5,6a]C[6a])(C[4]C[4,5,6]CH)(O[4]C[4,5,6])(C[6a]C[6a]2)(N[5]C[5]H)	C[4](P[4,5]C[5,6a]C[6a]N[5]O[4])(C[4,5,6]C[5,5,6]C[5,6]O[4])(CH3)(H)	C[5,6a](P[4,5]C[6a]C[4]N[5]O[4])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	P[4,5](C[5,6a]C[5,6a]C[6a])(C[4]C[4,5,6]CH)(O[4]C[4,5,6])(C[6a]C[6a]2)(N[5]C[5]H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[4](P[4,5]C[5,6a]C[6a]N[5]O[4])(C[4,5,6]C[5,5,6]C[5,6]O[4])(CH3)(H){3|H<1>,4|C<4>,5|C<3>}	C[5,6a](P[4,5]C[6a]C[4]N[5]O[4])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	133.5280	0.000	1	133.5280	0.000	1	133.5280	0.000	1	133.5280	0.000	1	128.0151	18.915	7	128.0151	18.915	7
718	478	976	0:SPD5_SP3_SP3	P[4,5]	C[4]	O[5]	3:3:4:2:2:	5:4:1:1:	5:4:	C[5,6a]-3:C[6a]-3:C[4]-4:O[4]-2:O[5]-2:	P[4,5]-5:C[4]-4:H-1:H-1:	P[4,5]-5:C[5]-4:	P[4,5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[4]C[4]HH)(O[4]C[4])(O[5]C[5])	C[4](P[4,5]C[5,6a]C[6a]O[4]O[5])(C[4]O[4]CC)(H)2	O[5](P[4,5]C[5,6a]C[6a]C[4]O[4])(C[5]C[5,6a]CC)	P[4,5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[4]C[4]HH)(O[4]C[4])(O[5]C[5]){3|H<1>,4|C<3>,4|C<4>}	C[4](P[4,5]C[5,6a]C[6a]O[4]O[5])(C[4]O[4]CC)(H)2{1|C<4>,4|C<3>}	O[5](P[4,5]C[5,6a]C[6a]C[4]O[4])(C[5]C[5,6a]CC){1|C<4>,2|H<1>,4|C<3>}	92.5404	0.594	4	92.5404	0.353	4	92.5404	0.353	4	92.5404	0.353	4	92.5404	0.353	4	92.5404	0.353	4
718	542	643	0:SPD5_SP2_SP2	P[4,5]	N[5]	C[6a]	3:3:4:3:2:	5:3:1:	5:3:3:	C[5,6a]-3:C[6a]-3:C[4]-4:N[5]-3:O[4]-2:	P[4,5]-5:C[5]-3:H-1:	P[4,5]-5:C[6a]-3:C[6a]-3:	P[4,5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[4]C[4]CC)(N[5]C[5]H)(O[4]C[4])	N[5](P[4,5]C[5,6a]C[6a]C[4]O[4])(C[5]C[5,6a]O)(H)	C[6a](P[4,5]C[5,6a]C[4]N[5]O[4])(C[6a]C[6a]H)2	P[4,5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[4]C[4]CC)(N[5]C[5]H)(O[4]C[4]){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	N[5](P[4,5]C[5,6a]C[6a]C[4]O[4])(C[5]C[5,6a]O)(H){3|C<4>,4|C<3>}	C[6a](P[4,5]C[5,6a]C[4]N[5]O[4])(C[6a]C[6a]H)2{3|C<4>,3|H<1>,4|C<3>}	96.3250	0.000	2	96.3250	0.000	2	96.3250	0.000	2	96.3250	0.000	2	96.4130	0.023	3	96.4130	0.023	3
718	542	643	0:SPD5_SP2_SP2	P[4,5]	N[5]	C[6a]	3:4:2:3:3:	5:3:1:	5:3:3:	C[5,6a]-3:C[4]-4:O[4]-2:C[6a]-3:N[5]-3:	P[4,5]-5:C[5]-3:H-1:	P[4,5]-5:C[6a]-3:C[6a]-3:	P[4,5](C[5,6a]C[5,6a]C[6a])(C[4]C[4,5,6]CH)(O[4]C[4,5,6])(C[6a]C[6a]2)(N[5]C[5]H)	N[5](P[4,5]C[5,6a]C[6a]C[4]O[4])(C[5]C[5,6a]O)(H)	C[6a](P[4,5]C[5,6a]C[4]N[5]O[4])(C[6a]C[6a]H)2	P[4,5](C[5,6a]C[5,6a]C[6a])(C[4]C[4,5,6]CH)(O[4]C[4,5,6])(C[6a]C[6a]2)(N[5]C[5]H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	N[5](P[4,5]C[5,6a]C[6a]C[4]O[4])(C[5]C[5,6a]O)(H){1|H<1>,2|C<4>,4|C<3>}	C[6a](P[4,5]C[5,6a]C[4]N[5]O[4])(C[6a]C[6a]H)2{2|C<4>,4|C<3>,4|H<1>}	96.5891	0.000	1	96.5891	0.000	1	96.5891	0.000	1	96.5891	0.000	1	96.4130	0.023	3	96.4130	0.023	3
718	542	727	5:SPD5_SP2_SP2	P[4,5]	N[5]	C[5,6a]	3:3:4:3:2:	5:3:1:	5:3:3:	C[5,6a]-3:C[6a]-3:C[4]-4:N[5]-3:O[4]-2:	P[4,5]-5:C[5]-3:H-1:	P[4,5]-5:C[5,6a]-3:C[6a]-3:	P[4,5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[4]C[4]CC)(N[5]C[5]H)(O[4]C[4])	N[5](P[4,5]C[5,6a]C[6a]C[4]O[4])(C[5]C[5,6a]O)(H)	C[5,6a](P[4,5]C[6a]C[4]N[5]O[4])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	P[4,5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[4]C[4]CC)(N[5]C[5]H)(O[4]C[4]){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	N[5](P[4,5]C[5,6a]C[6a]C[4]O[4])(C[5]C[5,6a]O)(H){3|C<4>,4|C<3>}	C[5,6a](P[4,5]C[6a]C[4]N[5]O[4])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	85.2153	0.000	2	85.2153	0.000	2	85.2153	0.000	2	85.2153	0.000	2	85.2160	0.000	3	85.2160	0.000	3
718	542	727	5:SPD5_SP2_SP2	P[4,5]	N[5]	C[5,6a]	3:4:2:3:3:	5:3:1:	5:3:3:	C[5,6a]-3:C[4]-4:O[4]-2:C[6a]-3:N[5]-3:	P[4,5]-5:C[5]-3:H-1:	P[4,5]-5:C[5,6a]-3:C[6a]-3:	P[4,5](C[5,6a]C[5,6a]C[6a])(C[4]C[4,5,6]CH)(O[4]C[4,5,6])(C[6a]C[6a]2)(N[5]C[5]H)	N[5](P[4,5]C[5,6a]C[6a]C[4]O[4])(C[5]C[5,6a]O)(H)	C[5,6a](P[4,5]C[6a]C[4]N[5]O[4])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	P[4,5](C[5,6a]C[5,6a]C[6a])(C[4]C[4,5,6]CH)(O[4]C[4,5,6])(C[6a]C[6a]2)(N[5]C[5]H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	N[5](P[4,5]C[5,6a]C[6a]C[4]O[4])(C[5]C[5,6a]O)(H){1|H<1>,2|C<4>,4|C<3>}	C[5,6a](P[4,5]C[6a]C[4]N[5]O[4])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	85.2173	0.000	1	85.2173	0.000	1	85.2173	0.000	1	85.2173	0.000	1	85.2160	0.000	3	85.2160	0.000	3
718	542	976	5:SPD5_SP2_SP2	P[4,5,5]	N[5,5]	O[5]	3:3:3:2:2:	5:3:3:	5:3:	N[4]-3:N[4]-3:N[5,5]-3:O[5]-2:O[5]-2:	P[4,5,5]-5:C[5]-3:C[5]-3:	P[4,5,5]-5:C[5]-3:	P[4,5,5](N[4]P[4,5,5]C[6a])2(N[5,5]C[5]2)(O[5]C[5])2	N[5,5](P[4,5,5]N[4]2O[5]2)(C[5]C[5]H)2	O[5](P[4,5,5]N[5,5]N[4]2O[5])(C[5]C[5]C)	P[4,5,5](N[4]P[4,5,5]C[6a])2(N[5,5]C[5]2)(O[5]C[5])2{1|N<3>,2|C<4>,2|H<1>,2|O<2>,4|C<3>}	N[5,5](P[4,5,5]N[4]2O[5]2)(C[5]C[5]H)2{1|P<5>,2|C<3>,2|C<4>}	O[5](P[4,5,5]N[5,5]N[4]2O[5])(C[5]C[5]C){1|H<1>,1|P<5>,4|C<3>}	90.0006	0.752	6	90.0006	0.566	6	90.0006	0.566	6	90.0006	0.566	6	90.0006	0.566	6	90.0006	0.566	6
718	643	727	0:SPD5_SP2_SP2	P[4,5]	C[6a]	C[5,6a]	3:3:4:2:2:	5:3:3:	5:3:3:	C[5,6a]-3:C[6a]-3:C[4]-4:O[4]-2:O[5]-2:	P[4,5]-5:C[6a]-3:C[6a]-3:	P[4,5]-5:C[5,6a]-3:C[6a]-3:	P[4,5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[4]C[4]HH)(O[4]C[4])(O[5]C[5])	C[6a](P[4,5]C[5,6a]C[4]O[4]O[5])(C[6a]C[6a]H)2	C[5,6a](P[4,5]C[6a]C[4]O[4]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	P[4,5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[4]C[4]HH)(O[4]C[4])(O[5]C[5]){3|H<1>,4|C<3>,4|C<4>}	C[6a](P[4,5]C[5,6a]C[4]O[4]O[5])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	C[5,6a](P[4,5]C[6a]C[4]O[4]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	116.2015	0.990	4	116.2015	0.980	4	116.2015	0.980	4	116.2015	0.980	4	114.5681	4.772	7	114.5681	4.772	7
718	643	727	0:SPD5_SP2_SP2	P[4,5]	C[6a]	C[5,6a]	3:3:4:3:2:	5:3:3:	5:3:3:	C[5,6a]-3:C[6a]-3:C[4]-4:N[5]-3:O[4]-2:	P[4,5]-5:C[6a]-3:C[6a]-3:	P[4,5]-5:C[5,6a]-3:C[6a]-3:	P[4,5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[4]C[4]CC)(N[5]C[5]H)(O[4]C[4])	C[6a](P[4,5]C[5,6a]C[4]N[5]O[4])(C[6a]C[6a]H)2	C[5,6a](P[4,5]C[6a]C[4]N[5]O[4])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	P[4,5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[4]C[4]CC)(N[5]C[5]H)(O[4]C[4]){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6a](P[4,5]C[5,6a]C[4]N[5]O[4])(C[6a]C[6a]H)2{3|C<4>,3|H<1>,4|C<3>}	C[5,6a](P[4,5]C[6a]C[4]N[5]O[4])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	112.7540	0.000	2	112.7540	0.000	2	112.7540	0.000	2	112.7540	0.000	2	114.5681	4.772	7	114.5681	4.772	7
718	643	727	0:SPD5_SP2_SP2	P[4,5]	C[6a]	C[5,6a]	3:4:2:3:3:	5:3:3:	5:3:3:	C[5,6a]-3:C[4]-4:O[4]-2:C[6a]-3:N[5]-3:	P[4,5]-5:C[6a]-3:C[6a]-3:	P[4,5]-5:C[5,6a]-3:C[6a]-3:	P[4,5](C[5,6a]C[5,6a]C[6a])(C[4]C[4,5,6]CH)(O[4]C[4,5,6])(C[6a]C[6a]2)(N[5]C[5]H)	C[6a](P[4,5]C[5,6a]C[4]N[5]O[4])(C[6a]C[6a]H)2	C[5,6a](P[4,5]C[6a]C[4]N[5]O[4])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	P[4,5](C[5,6a]C[5,6a]C[6a])(C[4]C[4,5,6]CH)(O[4]C[4,5,6])(C[6a]C[6a]2)(N[5]C[5]H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[6a](P[4,5]C[5,6a]C[4]N[5]O[4])(C[6a]C[6a]H)2{2|C<4>,4|C<3>,4|H<1>}	C[5,6a](P[4,5]C[6a]C[4]N[5]O[4])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	111.6630	0.000	1	111.6630	0.000	1	111.6630	0.000	1	111.6630	0.000	1	114.5681	4.772	7	114.5681	4.772	7
718	643	976	0:SPD5_SP2_SP3	P[4,5]	C[6a]	O[5]	3:3:4:2:2:	5:3:3:	5:4:	C[5,6a]-3:C[6a]-3:C[4]-4:O[4]-2:O[5]-2:	P[4,5]-5:C[6a]-3:C[6a]-3:	P[4,5]-5:C[5]-4:	P[4,5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[4]C[4]HH)(O[4]C[4])(O[5]C[5])	C[6a](P[4,5]C[5,6a]C[4]O[4]O[5])(C[6a]C[6a]H)2	O[5](P[4,5]C[5,6a]C[6a]C[4]O[4])(C[5]C[5,6a]CC)	P[4,5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[4]C[4]HH)(O[4]C[4])(O[5]C[5]){3|H<1>,4|C<3>,4|C<4>}	C[6a](P[4,5]C[5,6a]C[4]O[4]O[5])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	O[5](P[4,5]C[5,6a]C[6a]C[4]O[4])(C[5]C[5,6a]CC){1|C<4>,2|H<1>,4|C<3>}	94.8778	0.313	4	94.8778	0.098	4	94.8778	0.098	4	94.8778	0.098	4	94.8778	0.098	4	94.8778	0.098	4
718	727	976	5:SPD5_SP2_SP3	P[4,5]	C[5,6a]	O[5]	3:3:4:2:2:	5:3:3:	5:4:	C[5,6a]-3:C[6a]-3:C[4]-4:O[4]-2:O[5]-2:	P[4,5]-5:C[5,6a]-3:C[6a]-3:	P[4,5]-5:C[5]-4:	P[4,5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[4]C[4]HH)(O[4]C[4])(O[5]C[5])	C[5,6a](P[4,5]C[6a]C[4]O[4]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	O[5](P[4,5]C[5,6a]C[6a]C[4]O[4])(C[5]C[5,6a]CC)	P[4,5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[4]C[4]HH)(O[4]C[4])(O[5]C[5]){3|H<1>,4|C<3>,4|C<4>}	C[5,6a](P[4,5]C[6a]C[4]O[4]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	O[5](P[4,5]C[5,6a]C[6a]C[4]O[4])(C[5]C[5,6a]CC){1|C<4>,2|H<1>,4|C<3>}	88.9999	0.161	4	88.9999	0.026	4	88.9999	0.026	4	88.9999	0.026	4	88.9999	0.026	4	88.9999	0.026	4
718	893	976	0:SPD5_SP2_SP3	P[4,5,5]	O	O[5]	4:3:2:2:2:	5:4:	5:3:	N[4,5,5]-4:N[4]-3:O[5]-2:O[5]-2:O-2:	P[4,5,5]-5:C-4:	P[4,5,5]-5:C[5]-3:	P[4,5,5](N[4,5,5]B[4,5a]C[5]2)(N[4]B[4,5a]C[6a])(O[5]C[5])2(OC)	O(P[4,5,5]N[4,5,5]N[4]O[5]2)(CCHH)	O[5](P[4,5,5]N[4,5,5]N[4]O[5]O)(C[5]C[5]C)	P[4,5,5](N[4,5,5]B[4,5a]C[5]2)(N[4]B[4,5a]C[6a])(O[5]C[5])2(OC){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	O(P[4,5,5]N[4,5,5]N[4]O[5]2)(CCHH)	O[5](P[4,5,5]N[4,5,5]N[4]O[5]O)(C[5]C[5]C){1|B<4>,1|H<1>,3|C<3>}	94.5666	0.429	2	94.5666	0.184	2	94.5666	0.184	2	94.5666	0.184	2	94.5666	0.184	2	97.9529	35.435	4
718	893	976	0:SPD5_SP2_SP3	P[4,5]	O	O[5]	2:2:3:3:2:	5:4:	3:5:	O[5]-2:O[5]-2:N[4]-3:N[4]-3:O-2:	P[4,5]-5:C-4:	C[5,6a]-3:P[4,5]-5:	P[4,5](O[5]C[5,6a])2(N[4]P[4]C)2(OC)	O(P[4,5]N[4]2O[5]2)(CCHH)	O[5](C[5,6a]C[5,6a]C[6a])(P[4,5]N[4]2O[5]O)	P[4,5](O[5]C[5,6a])2(N[4]P[4]C)2(OC){1|O<2>,2|C<3>}	O(P[4,5]N[4]2O[5]2)(CCHH)	O[5](C[5,6a]C[5,6a]C[6a])(P[4,5]N[4]2O[5]O){1|Cl<1>,1|P<3>,2|C<3>,2|C<4>}	101.3393	7.762	2	101.3393	60.252	2	101.3393	60.252	2	101.3393	60.252	2	101.3393	60.252	2	97.9529	35.435	4
718	893	980	0:SPD5_SP3_SP3	P[4,5,5]	O	N[4,5,5]	4:3:2:2:2:	5:4:	5:4:3:3:	N[4,5,5]-4:N[4]-3:O[5]-2:O[5]-2:O-2:	P[4,5,5]-5:C-4:	P[4,5,5]-5:B[4,5a]-4:C[5]-3:C[5]-3:	P[4,5,5](N[4,5,5]B[4,5a]C[5]2)(N[4]B[4,5a]C[6a])(O[5]C[5])2(OC)	O(P[4,5,5]N[4,5,5]N[4]O[5]2)(CCHH)	N[4,5,5](P[4,5,5]N[4]O[5]2O)(B[4,5a]O[5a]2N[4])(C[5]C[5]H)2	P[4,5,5](N[4,5,5]B[4,5a]C[5]2)(N[4]B[4,5a]C[6a])(O[5]C[5])2(OC){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	O(P[4,5,5]N[4,5,5]N[4]O[5]2)(CCHH)	N[4,5,5](P[4,5,5]N[4]O[5]2O)(B[4,5a]O[5a]2N[4])(C[5]C[5]H)2{2|C<4>,3|C<3>}	175.7500	0.000	1	175.7500	0.000	1	175.7500	0.000	1	175.7500	0.000	1	175.7500	0.000	1	175.7500	0.000	1
718	941	941	0:SPD5_SP2_SP2	P[4]	N	N	3:3:2:2:2:	5:2:	5:2:	N[4]-3:N[4]-3:N-2:N-2:N-2:	P[4]-5:N-2:	P[4]-5:N-2:	P[4](N[4]C[6a]P[4])2(NN)3	N(P[4]N[4]2NN)(NN)	N(P[4]N[4]2NN)(NN)	P[4](N[4]C[6a]P[4])2(NN)3{3|N<2>,4|C<3>}	N(P[4]N[4]2NN)(NN)	N(P[4]N[4]2NN)(NN)	100.0336	10.469	6	100.0336	109.590	6	100.0336	109.590	6	100.0336	109.590	6	100.0336	109.590	6	100.0336	109.590	6
718	976	976	0:SPD5_SP2_SP2	P[4,5,5]	O[5]	O[5]	3:3:3:2:2:	5:3:	5:3:	N[4]-3:N[4]-3:N[5,5]-3:O[5]-2:O[5]-2:	P[4,5,5]-5:C[5]-3:	P[4,5,5]-5:C[5]-3:	P[4,5,5](N[4]P[4,5,5]C[6a])2(N[5,5]C[5]2)(O[5]C[5])2	O[5](P[4,5,5]N[5,5]N[4]2O[5])(C[5]C[5]C)	O[5](P[4,5,5]N[5,5]N[4]2O[5])(C[5]C[5]C)	P[4,5,5](N[4]P[4,5,5]C[6a])2(N[5,5]C[5]2)(O[5]C[5])2{1|N<3>,2|C<4>,2|H<1>,2|O<2>,4|C<3>}	O[5](P[4,5,5]N[5,5]N[4]2O[5])(C[5]C[5]C){1|H<1>,1|P<5>,4|C<3>}	O[5](P[4,5,5]N[5,5]N[4]2O[5])(C[5]C[5]C){1|H<1>,1|P<5>,4|C<3>}	120.0060	6.157	3	120.0060	37.909	3	120.0060	37.909	3	120.0060	37.909	3	118.3492	36.252	4	118.3492	36.252	4
718	976	976	0:SPD5_SP2_SP2	P[4,5,5]	O[5]	O[5]	4:3:2:2:2:	5:3:	5:3:	N[4,5,5]-4:N[4]-3:O[5]-2:O[5]-2:O-2:	P[4,5,5]-5:C[5]-3:	P[4,5,5]-5:C[5]-3:	P[4,5,5](N[4,5,5]B[4,5a]C[5]2)(N[4]B[4,5a]C[6a])(O[5]C[5])2(OC)	O[5](P[4,5,5]N[4,5,5]N[4]O[5]O)(C[5]C[5]C)	O[5](P[4,5,5]N[4,5,5]N[4]O[5]O)(C[5]C[5]C)	P[4,5,5](N[4,5,5]B[4,5a]C[5]2)(N[4]B[4,5a]C[6a])(O[5]C[5])2(OC){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	O[5](P[4,5,5]N[4,5,5]N[4]O[5]O)(C[5]C[5]C){1|B<4>,1|H<1>,3|C<3>}	O[5](P[4,5,5]N[4,5,5]N[4]O[5]O)(C[5]C[5]C){1|B<4>,1|H<1>,3|C<3>}	113.3790	0.000	1	113.3790	0.000	1	113.3790	0.000	1	113.3790	0.000	1	118.3492	36.252	4	118.3492	36.252	4
718	976	976	5:SPD5_SP2_SP2	P[4,5]	O[5]	O[5]	2:2:3:3:2:	3:5:	3:5:	O[5]-2:O[5]-2:N[4]-3:N[4]-3:O-2:	C[5,6a]-3:P[4,5]-5:	C[5,6a]-3:P[4,5]-5:	P[4,5](O[5]C[5,6a])2(N[4]P[4]C)2(OC)	O[5](C[5,6a]C[5,6a]C[6a])(P[4,5]N[4]2O[5]O)	O[5](C[5,6a]C[5,6a]C[6a])(P[4,5]N[4]2O[5]O)	P[4,5](O[5]C[5,6a])2(N[4]P[4]C)2(OC){1|O<2>,2|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(P[4,5]N[4]2O[5]O){1|Cl<1>,1|P<3>,2|C<3>,2|C<4>}	O[5](C[5,6a]C[5,6a]C[6a])(P[4,5]N[4]2O[5]O){1|Cl<1>,1|P<3>,2|C<3>,2|C<4>}	87.7450	0.000	1	87.7450	0.000	1	87.7450	0.000	1	87.7450	0.000	1	87.7450	0.000	1	87.7450	0.000	1
718	976	980	5:SPD5_SP2_SP3	P[4,5,5]	O[5]	N[4,5,5]	4:3:2:2:2:	5:3:	5:4:3:3:	N[4,5,5]-4:N[4]-3:O[5]-2:O[5]-2:O-2:	P[4,5,5]-5:C[5]-3:	P[4,5,5]-5:B[4,5a]-4:C[5]-3:C[5]-3:	P[4,5,5](N[4,5,5]B[4,5a]C[5]2)(N[4]B[4,5a]C[6a])(O[5]C[5])2(OC)	O[5](P[4,5,5]N[4,5,5]N[4]O[5]O)(C[5]C[5]C)	N[4,5,5](P[4,5,5]N[4]O[5]2O)(B[4,5a]O[5a]2N[4])(C[5]C[5]H)2	P[4,5,5](N[4,5,5]B[4,5a]C[5]2)(N[4]B[4,5a]C[6a])(O[5]C[5])2(OC){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	O[5](P[4,5,5]N[4,5,5]N[4]O[5]O)(C[5]C[5]C){1|B<4>,1|H<1>,3|C<3>}	N[4,5,5](P[4,5,5]N[4]O[5]2O)(B[4,5a]O[5a]2N[4])(C[5]C[5]H)2{2|C<4>,3|C<3>}	87.7534	0.118	2	87.7534	0.014	2	87.7534	0.014	2	87.7534	0.014	2	87.7534	0.014	2	87.7534	0.014	2
722	74	74	0:SPD5_SP2_SP2	Si[4,4]	N[4]	N[4]	3:3:3:3:1:	5:3:4:	5:5:2:	N[4]-3:N[4]-3:N[4]-3:N[4]-3:Cl-1:	Si[4,4]-5:C[4]-3:C-4:	Si[4,4]-5:Si[4,4]-5:N-2:	Si[4,4](N[4]Si[4,4]N)2(N[4]C[4]C)2(Cl)	N[4](Si[4,4]N[4]3Cl)(C[4]C[6a]N[4])(CC3)	N[4](Si[4,4]N[4]3Cl)2(NC)	Si[4,4](N[4]Si[4,4]N)2(N[4]C[4]C)2(Cl){1|Cl<1>,1|C<3>,2|N<3>}	N[4](Si[4,4]N[4]3Cl)(C[4]C[6a]N[4])(CC3){1|Si<5>,1|C<4>,2|C<3>,2|N<2>}	N[4](Si[4,4]N[4]3Cl)2(NC){1|N<2>,2|C<3>,4|C<4>}	126.7185	34.336	4	126.7185	1178.930	4	126.7185	1178.930	4	126.7185	1178.930	4	126.7185	1178.930	4	126.7185	1178.930	4
722	74	74	4:SPD5_SP2_SP2	Si[4,4,5]	N[4]	N[4]	3:4:3:3:2:	5:3:4:	5:3:4:	C[5,6a]-3:Si[4,5]-4:N[4]-3:N[4]-3:O[4]-2:	Si[4,4,5]-5:C[4]-3:C-4:	Si[4,4,5]-5:C[4]-3:C-4:	Si[4,4,5](C[5,6a]C[5,6a,6a]C[6a])(Si[4,5]C[5,6a]C[4]N)(N[4]C[4]C)2(O[4]C[4])	N[4](Si[4,4,5]C[5,6a]Si[4,5]N[4]O[4])(C[4]C[6a]N[4])(CC3)	N[4](Si[4,4,5]C[5,6a]Si[4,5]N[4]O[4])(C[4]C[6a]N[4])(CC3)	Si[4,4,5](C[5,6a]C[5,6a,6a]C[6a])(Si[4,5]C[5,6a]C[4]N)(N[4]C[4]C)2(O[4]C[4]){1|H<1>,6|C<3>}	N[4](Si[4,4,5]C[5,6a]Si[4,5]N[4]O[4])(C[4]C[6a]N[4])(CC3){1|N<3>,2|C<4>,5|C<3>}	N[4](Si[4,4,5]C[5,6a]Si[4,5]N[4]O[4])(C[4]C[6a]N[4])(CC3){1|N<3>,2|C<4>,5|C<3>}	68.0780	0.000	1	68.0780	0.000	1	68.0780	0.000	1	68.0780	0.000	1	69.5716	1.681	3	79.9510	801.291	40
722	74	74	4:SPD5_SP2_SP2	Si[4,4,5]	N[4]	N[4]	6:3:2:3:3:	5:3:4:	5:3:4:	C[5x3,6x5,20x6]-6:C[4,5]-3:O[4]-2:N[4]-3:N[4]-3:	Si[4,4,5]-5:C[4]-3:C-4:	Si[4,4,5]-5:C[4]-3:C-4:	Si[4,4,5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[4,5]Si[4,4]C[5])(O[4]Si[4,4])(N[4]C[4]C)2	N[4](Si[4,4,5]C[5x3,6x5,20x6]C[4,5]N[4]O[4])(C[4]C[6a]N[4])(CC3)	N[4](Si[4,4,5]C[5x3,6x5,20x6]C[4,5]N[4]O[4])(C[4]C[6a]N[4])(CC3)	Si[4,4,5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[4,5]Si[4,4]C[5])(O[4]Si[4,4])(N[4]C[4]C)2{1|C<3>,2|N<3>,2|O<2>,4|H<1>,5|B<6>}	N[4](Si[4,4,5]C[5x3,6x5,20x6]C[4,5]N[4]O[4])(C[4]C[6a]N[4])(CC3){1|Si<5>,1|C<4>,1|C<6>,3|C<3>,4|B<6>}	N[4](Si[4,4,5]C[5x3,6x5,20x6]C[4,5]N[4]O[4])(C[4]C[6a]N[4])(CC3){1|Si<5>,1|C<4>,1|C<6>,3|C<3>,4|B<6>}	70.3183	0.125	2	70.3183	0.016	2	70.3183	0.016	2	70.3183	0.016	2	69.5716	1.681	3	79.9510	801.291	40
722	74	74	4:SPD5_SP2_SP2	Si[4,4,6,6]	N[4]	N[4]	5:3:3:3:3:	5:3:4:	5:3:4:	C[3x3,4,3x5,16x6]-5:C[4,6,6]-3:C[4]-3:N[4]-3:N[4]-3:	Si[4,4,6,6]-5:C[4]-3:C-4:	Si[4,4,6,6]-5:C[4]-3:C-4:	Si[4,4,6,6](C[3x3,4,3x5,16x6]B[4x3,4,5x5,22x6]2B[5x3,4x5,17x6]2)(C[4,6,6]Si[4,6,6]N[4])(C[4]N[4]N)(N[4]C[4]C)2	N[4](Si[4,4,6,6]C[3x3,4,3x5,16x6]C[4,6,6]C[4]N[4])(C[4]C[6a]N[4])(CC3)	N[4](Si[4,4,6,6]C[3x3,4,3x5,16x6]C[4,6,6]C[4]N[4])(C[4]C[6a]N[4])(CC3)	Si[4,4,6,6](C[3x3,4,3x5,16x6]B[4x3,4,5x5,22x6]2B[5x3,4x5,17x6]2)(C[4,6,6]Si[4,6,6]N[4])(C[4]N[4]N)(N[4]C[4]C)2{1|C<5>,2|C<3>,2|N<3>,4|H<1>,5|B<6>}	N[4](Si[4,4,6,6]C[3x3,4,3x5,16x6]C[4,6,6]C[4]N[4])(C[4]C[6a]N[4])(CC3){1|Si<4>,1|C<4>,1|N<2>,1|N<3>,2|C<3>,4|B<6>}	N[4](Si[4,4,6,6]C[3x3,4,3x5,16x6]C[4,6,6]C[4]N[4])(C[4]C[6a]N[4])(CC3){1|Si<4>,1|C<4>,1|N<2>,1|N<3>,2|C<3>,4|B<6>}	71.1099	0.000	1	71.1099	0.000	1	71.1099	0.000	1	71.1099	0.000	1	71.1099	0.000	1	79.9510	801.291	40
722	74	74	4:SPD5_SP2_SP2	Si[4,4]	N[4,5]	N[4,5]	5:3:3:3:1:	5:3:3:	5:3:3:	Si[4,4]-5:N[4,5]-3:N[4,5]-3:N[5a]-3:Cl-1:	Si[4,4]-5:N[4,5]-3:C[5]-3:	Si[4,4]-5:N[4,5]-3:C[5]-3:	Si[4,4](Si[4,4]N[4,5]2N[5a]Cl)(N[4,5]N[4,5]C[5])2(N[5a]C[5a]N[5a])(Cl)	N[4,5](Si[4,4]Si[4,4]N[4,5]N[5a]Cl)(N[4,5]Si[4,4]C[5])(C[5]C[5]C)	N[4,5](Si[4,4]Si[4,4]N[4,5]N[5a]Cl)(N[4,5]Si[4,4]C[5])(C[5]C[5]C)	Si[4,4](Si[4,4]N[4,5]2N[5a]Cl)(N[4,5]N[4,5]C[5])2(N[5a]C[5a]N[5a])(Cl){1|N<2>,3|C<4>,7|C<3>}	N[4,5](Si[4,4]Si[4,4]N[4,5]N[5a]Cl)(N[4,5]Si[4,4]C[5])(C[5]C[5]C){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,2|C<3>,2|N<3>}	N[4,5](Si[4,4]Si[4,4]N[4,5]N[5a]Cl)(N[4,5]Si[4,4]C[5])(C[5]C[5]C){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,2|C<3>,2|N<3>}	152.2170	0.000	2	152.2170	0.000	2	152.2170	0.000	2	152.2170	0.000	2	152.0740	0.027	4	79.9510	801.291	40
722	74	74	4:SPD5_SP2_SP2	Si[4,4]	N[4,5]	N[4,5]	5:3:3:3:3:	5:3:3:	5:3:3:	Si[4,4]-5:N[4,5]-3:N[4,5]-3:N[5a]-3:N[5a]-3:	Si[4,4]-5:N[4,5]-3:C[5]-3:	Si[4,4]-5:N[4,5]-3:C[5]-3:	Si[4,4](Si[4,4]N[4,5]2N[5a]2)(N[4,5]N[4,5]C[5])2(N[5a]C[5a]N[5a])2	N[4,5](Si[4,4]Si[4,4]N[4,5]N[5a]2)(N[4,5]Si[4,4]C[5])(C[5]C[5]C)	N[4,5](Si[4,4]Si[4,4]N[4,5]N[5a]2)(N[4,5]Si[4,4]C[5])(C[5]C[5]C)	Si[4,4](Si[4,4]N[4,5]2N[5a]2)(N[4,5]N[4,5]C[5])2(N[5a]C[5a]N[5a])2{10|C<3>,2|N<2>,4|C<4>}	N[4,5](Si[4,4]Si[4,4]N[4,5]N[5a]2)(N[4,5]Si[4,4]C[5])(C[5]C[5]C){1|C<4>,1|H<1>,2|N<2>,3|C<3>,3|N<3>}	N[4,5](Si[4,4]Si[4,4]N[4,5]N[5a]2)(N[4,5]Si[4,4]C[5])(C[5]C[5]C){1|C<4>,1|H<1>,2|N<2>,3|C<3>,3|N<3>}	151.9310	0.000	2	151.9310	0.000	2	151.9310	0.000	2	151.9310	0.000	2	152.0740	0.027	4	79.9510	801.291	40
722	74	74	4:SPD5_SP2_SP2	Si[4,4]	N[4,6]	N[4,6]	3:3:3:2:2:	5:3:3:	5:3:3:	N[4,6]-3:N[4,6]-3:C[6a]-3:S[4]-2:S[4]-2:	Si[4,4]-5:C[4,6]-3:C[6]-3:	Si[4,4]-5:C[4,6]-3:C[6]-3:	Si[4,4](N[4,6]C[4,6]C[6])2(C[6a]C[6a]2)(S[4]C[4,6])2	N[4,6](Si[4,4]N[4,6]C[6a]S[4]2)(C[4,6]C[6]S[4])(C[6]C[6]H)	N[4,6](Si[4,4]N[4,6]C[6a]S[4]2)(C[4,6]C[6]S[4])(C[6]C[6]H)	Si[4,4](N[4,6]C[4,6]C[6])2(C[6a]C[6a]2)(S[4]C[4,6])2{4|H<1>,6|C<3>}	N[4,6](Si[4,4]N[4,6]C[6a]S[4]2)(C[4,6]C[6]S[4])(C[6]C[6]H){2|H<1>,5|C<3>}	N[4,6](Si[4,4]N[4,6]C[6a]S[4]2)(C[4,6]C[6]S[4])(C[6]C[6]H){2|H<1>,5|C<3>}	159.9380	0.000	1	159.9380	0.000	1	159.9380	0.000	1	159.9380	0.000	1	159.9380	0.000	1	79.9510	801.291	40
722	74	74	4:SPD5_SP2_SP2	Si[4,4]	N[4]	N[4]	2:2:3:3:3:	5:3:4:	5:3:4:	O[4]-2:O[4]-2:N[4]-3:N[4]-3:N-3:	Si[4,4]-5:C[4]-3:C-4:	Si[4,4]-5:C[4]-3:C-4:	Si[4,4](O[4]Si[4,4])2(N[4]C[4]C)2(NCC)	N[4](Si[4,4]N[4]O[4]2N)(C[4]C[6a]N[4])(CC3)	N[4](Si[4,4]N[4]O[4]2N)(C[4]C[6a]N[4])(CC3)	Si[4,4](O[4]Si[4,4])2(N[4]C[4]C)2(NCC){1|C<3>,3|N<3>}	N[4](Si[4,4]N[4]O[4]2N)(C[4]C[6a]N[4])(CC3){1|Si<5>,1|C<4>,2|C<3>}	N[4](Si[4,4]N[4]O[4]2N)(C[4]C[6a]N[4])(CC3){1|Si<5>,1|C<4>,2|C<3>}	67.5428	0.044	2	67.5428	0.002	2	68.0147	0.669	3	68.0147	0.669	3	69.5232	12.825	12	79.9510	801.291	40
722	74	74	4:SPD5_SP2_SP2	Si[4,4]	N[4]	N[4]	2:2:3:3:3:	5:3:4:	5:3:4:	O[4]-2:O[4]-2:N[4]-3:N[4]-3:N-3:	Si[4,4]-5:C[4]-3:C-4:	Si[4,4]-5:C[4]-3:C-4:	Si[4,4](O[4]Si[4,4])2(N[4]C[4]C)2(NC[6a]2)	N[4](Si[4,4]N[4]O[4]2N)(C[4]C[6a]N[4])(CC3)	N[4](Si[4,4]N[4]O[4]2N)(C[4]C[6a]N[4])(CC3)	Si[4,4](O[4]Si[4,4])2(N[4]C[4]C)2(NC[6a]2){1|C<3>,3|N<3>}	N[4](Si[4,4]N[4]O[4]2N)(C[4]C[6a]N[4])(CC3){1|Si<5>,1|C<4>,2|C<3>}	N[4](Si[4,4]N[4]O[4]2N)(C[4]C[6a]N[4])(CC3){1|Si<5>,1|C<4>,2|C<3>}	68.9585	0.000	1	68.9585	0.000	1	68.0147	0.669	3	68.0147	0.669	3	69.5232	12.825	12	79.9510	801.291	40
722	74	74	4:SPD5_SP2_SP2	Si[4,4]	N[4]	N[4]	2:2:3:3:4:	5:3:4:	5:3:4:	O[4]-2:O[4]-2:N[4]-3:N[4]-3:C-4:	Si[4,4]-5:C[4]-3:C-4:	Si[4,4]-5:C[4]-3:C-4:	Si[4,4](O[4]Si[4,4])2(N[4]C[4]C)2(CC[6a]2H)	N[4](Si[4,4]N[4]O[4]2C)(C[4]C[6a]N[4])(CC3)	N[4](Si[4,4]N[4]O[4]2C)(C[4]C[6a]N[4])(CC3)	Si[4,4](O[4]Si[4,4])2(N[4]C[4]C)2(CC[6a]2H){1|C<3>,1|C<4>,2|N<3>}	N[4](Si[4,4]N[4]O[4]2C)(C[4]C[6a]N[4])(CC3){1|Si<5>,1|C<4>,2|C<3>}	N[4](Si[4,4]N[4]O[4]2C)(C[4]C[6a]N[4])(CC3){1|Si<5>,1|C<4>,2|C<3>}	68.5072	0.000	1	68.5072	0.000	1	68.5072	0.000	1	68.5072	0.000	1	69.5232	12.825	12	79.9510	801.291	40
722	74	74	4:SPD5_SP2_SP2	Si[4,4]	N[4]	N[4]	3:2:3:3:2:	5:3:4:	5:3:4:	C[4,5]-3:O[4]-2:N[4]-3:N[4]-3:O-2:	Si[4,4]-5:C[4]-3:C-4:	Si[4,4]-5:C[4]-3:C-4:	Si[4,4](C[4,5]Si[4,4,5]C[5])(O[4]Si[4,4,5])(N[4]C[4]C)2(OC[5])	N[4](Si[4,4]C[4,5]N[4]O[4]O)(C[4]C[6a]N[4])(CC3)	N[4](Si[4,4]C[4,5]N[4]O[4]O)(C[4]C[6a]N[4])(CC3)	Si[4,4](C[4,5]Si[4,4,5]C[5])(O[4]Si[4,4,5])(N[4]C[4]C)2(OC[5]){1|C<3>,1|O<2>,2|C<6>,2|N<3>}	N[4](Si[4,4]C[4,5]N[4]O[4]O)(C[4]C[6a]N[4])(CC3){1|Si<5>,1|C<4>,3|C<3>}	N[4](Si[4,4]C[4,5]N[4]O[4]O)(C[4]C[6a]N[4])(CC3){1|Si<5>,1|C<4>,3|C<3>}	68.4931	0.537	2	68.4931	0.288	2	68.4931	0.288	2	68.4931	0.288	2	69.5232	12.825	12	79.9510	801.291	40
722	74	74	4:SPD5_SP2_SP2	Si[4,4]	N[4]	N[4]	3:3:3:3:1:	5:3:4:	5:3:4:	N[4]-3:N[4]-3:N[4]-3:N[4]-3:Cl-1:	Si[4,4]-5:C[4]-3:C-4:	Si[4,4]-5:C[4]-3:C-4:	Si[4,4](N[4]Si[4,4]N)2(N[4]C[4]C)2(Cl)	N[4](Si[4,4]N[4]3Cl)(C[4]C[6a]N[4])(CC3)	N[4](Si[4,4]N[4]3Cl)(C[4]C[6a]N[4])(CC3)	Si[4,4](N[4]Si[4,4]N)2(N[4]C[4]C)2(Cl){1|Cl<1>,1|C<3>,2|N<3>}	N[4](Si[4,4]N[4]3Cl)(C[4]C[6a]N[4])(CC3){1|Si<5>,1|C<4>,2|C<3>,2|N<2>}	N[4](Si[4,4]N[4]3Cl)(C[4]C[6a]N[4])(CC3){1|Si<5>,1|C<4>,2|C<3>,2|N<2>}	69.4369	0.000	1	69.4369	0.000	1	69.4369	0.000	1	69.4369	0.000	1	69.5232	12.825	12	79.9510	801.291	40
722	74	74	4:SPD5_SP2_SP2	Si[4,4]	N[4]	N[4]	3:3:3:3:1:	5:5:2:	5:5:2:	N[4]-3:N[4]-3:N[4]-3:N[4]-3:Cl-1:	Si[4,4]-5:Si[4,4]-5:N-2:	Si[4,4]-5:Si[4,4]-5:N-2:	Si[4,4](N[4]Si[4,4]N)2(N[4]C[4]C)2(Cl)	N[4](Si[4,4]N[4]3Cl)2(NC)	N[4](Si[4,4]N[4]3Cl)2(NC)	Si[4,4](N[4]Si[4,4]N)2(N[4]C[4]C)2(Cl){1|Cl<1>,1|C<3>,2|N<3>}	N[4](Si[4,4]N[4]3Cl)2(NC){1|N<2>,2|C<3>,4|C<4>}	N[4](Si[4,4]N[4]3Cl)2(NC){1|N<2>,2|C<3>,4|C<4>}	80.3290	0.000	1	80.3290	0.000	1	80.3290	0.000	1	80.3290	0.000	1	69.5232	12.825	12	79.9510	801.291	40
722	74	74	4:SPD5_SP2_SP2	Si[4,4]	N[4]	N[4]	3:4:3:3:1:	5:3:4:	5:3:4:	C[4]-3:Si[4]-4:N[4]-3:N[4]-3:Cl-1:	Si[4,4]-5:C[4]-3:C-4:	Si[4,4]-5:C[4]-3:C-4:	Si[4,4](C[4]C[6a]C[4])(Si[4]C[4]ClN)(N[4]C[4]C)2(Cl)	N[4](Si[4,4]Si[4]C[4]N[4]Cl)(C[4]C[6a]N[4])(CC3)	N[4](Si[4,4]Si[4]C[4]N[4]Cl)(C[4]C[6a]N[4])(CC3)	Si[4,4](C[4]C[6a]C[4])(Si[4]C[4]ClN)(N[4]C[4]C)2(Cl){4|C<3>}	N[4](Si[4,4]Si[4]C[4]N[4]Cl)(C[4]C[6a]N[4])(CC3){1|Cl<1>,1|C<4>,1|N<3>,4|C<3>}	N[4](Si[4,4]Si[4]C[4]N[4]Cl)(C[4]C[6a]N[4])(CC3){1|Cl<1>,1|C<4>,1|N<3>,4|C<3>}	68.4640	0.000	1	68.4640	0.000	1	68.4640	0.000	1	68.4640	0.000	1	69.5232	12.825	12	79.9510	801.291	40
722	74	74	4:SPD5_SP2_SP2	Si[4,4]	N[4]	N[4]	4:3:2:3:3:	5:3:4:	5:3:4:	Si[4,3x6]-4:C[6a]-3:O[4]-2:N[4]-3:N[4]-3:	Si[4,4]-5:C[4]-3:C-4:	Si[4,4]-5:C[4]-3:C-4:	Si[4,4](Si[4,3x6]Si[4,6,6]Si[4,6]C[4x6])(C[6a]C[6,6a]C[6a])(O[4]Si[4,6])(N[4]C[4]C)2	N[4](Si[4,4]Si[4,3x6]C[6a]N[4]O[4])(C[4]C[6a]N[4])(CC3)	N[4](Si[4,4]Si[4,3x6]C[6a]N[4]O[4])(C[4]C[6a]N[4])(CC3)	Si[4,4](Si[4,3x6]Si[4,6,6]Si[4,6]C[4x6])(C[6a]C[6,6a]C[6a])(O[4]Si[4,6])(N[4]C[4]C)2{1|Si<4>,1|Si<5>,1|C<4>,1|N<3>,1|O<2>,2|H<1>,6|C<3>}	N[4](Si[4,4]Si[4,3x6]C[6a]N[4]O[4])(C[4]C[6a]N[4])(CC3){2|Si<4>,2|C<4>,4|C<3>}	N[4](Si[4,4]Si[4,3x6]C[6a]N[4]O[4])(C[4]C[6a]N[4])(CC3){2|Si<4>,2|C<4>,4|C<3>}	67.4005	0.000	1	67.4005	0.000	1	67.4005	0.000	1	67.4005	0.000	1	69.5232	12.825	12	79.9510	801.291	40
722	74	74	4:SPD5_SP2_SP2	Si[4,4]	N[4]	N[4]	4:3:3:3:2:	5:3:4:	5:3:4:	Si[4,6,6]-4:C[6a]-3:N[4]-3:N[4]-3:O[4]-2:	Si[4,4]-5:C[4]-3:C-4:	Si[4,4]-5:C[4]-3:C-4:	Si[4,4](Si[4,6,6]Si[4,3x6]C[3x6]Si[4])(C[6a]C[6,6a]C[6a])(N[4]C[4]C)2(O[4]Si[4])	N[4](Si[4,4]Si[4,6,6]C[6a]N[4]O[4])(C[4]C[6a]N[4])(CC3)	N[4](Si[4,4]Si[4,6,6]C[6a]N[4]O[4])(C[4]C[6a]N[4])(CC3)	Si[4,4](Si[4,6,6]Si[4,3x6]C[3x6]Si[4])(C[6a]C[6,6a]C[6a])(N[4]C[4]C)2(O[4]Si[4]){1|Si<4>,1|Si<5>,1|C<4>,1|N<3>,1|O<2>,2|H<1>,6|C<3>}	N[4](Si[4,4]Si[4,6,6]C[6a]N[4]O[4])(C[4]C[6a]N[4])(CC3){2|Si<4>,2|C<4>,4|C<3>}	N[4](Si[4,4]Si[4,6,6]C[6a]N[4]O[4])(C[4]C[6a]N[4])(CC3){2|Si<4>,2|C<4>,4|C<3>}	67.6760	0.000	1	67.6760	0.000	1	67.6760	0.000	1	67.6760	0.000	1	69.5232	12.825	12	79.9510	801.291	40
722	74	74	4:SPD5_SP2_SP2	Si[4,4]	N[4]	N[4]	5:3:3:2:2:	5:3:4:	5:3:4:	C[3x3,4,3x5,14x6]-5:N[4]-3:N[4]-3:O[4]-2:O[4]-2:	Si[4,4]-5:C[4]-3:C-4:	Si[4,4]-5:C[4]-3:C-4:	Si[4,4](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(N[4]C[4]C)2(O[4]C[4])2	N[4](Si[4,4]C[3x3,4,3x5,14x6]N[4]O[4]2)(C[4]C[6a]N[4])(CC3)	N[4](Si[4,4]C[3x3,4,3x5,14x6]N[4]O[4]2)(C[4]C[6a]N[4])(CC3)	Si[4,4](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(N[4]C[4]C)2(O[4]C[4])2{1|C<3>,1|C<5>,1|O<1>,4|H<1>,5|B<6>}	N[4](Si[4,4]C[3x3,4,3x5,14x6]N[4]O[4]2)(C[4]C[6a]N[4])(CC3){1|C<4>,3|C<3>,4|B<6>}	N[4](Si[4,4]C[3x3,4,3x5,14x6]N[4]O[4]2)(C[4]C[6a]N[4])(CC3){1|C<4>,3|C<3>,4|B<6>}	71.4349	0.000	1	71.4349	0.000	1	71.4349	0.000	1	71.4349	0.000	1	69.5232	12.825	12	79.9510	801.291	40
722	74	74	4:SPD5_SP2_SP2	Si[4,5]	N[4]	N[4]	3:3:2:2:1:	5:3:4:	5:3:4:	N[4]-3:N[4]-3:O[5]-2:O[5]-2:Cl-1:	Si[4,5]-5:C[4]-3:C-4:	Si[4,5]-5:C[4]-3:C-4:	Si[4,5](N[4]C[4]C)2(O[5]C[5])2(Cl)	N[4](Si[4,5]N[4]O[5]2Cl)(C[4]C[6a]N[4])(CC3)	N[4](Si[4,5]N[4]O[5]2Cl)(C[4]C[6a]N[4])(CC3)	Si[4,5](N[4]C[4]C)2(O[5]C[5])2(Cl){3|C<3>}	N[4](Si[4,5]N[4]O[5]2Cl)(C[4]C[6a]N[4])(CC3){1|C<4>,4|C<3>}	N[4](Si[4,5]N[4]O[5]2Cl)(C[4]C[6a]N[4])(CC3){1|C<4>,4|C<3>}	70.0857	0.000	1	70.0857	0.000	1	70.0857	0.000	1	70.0857	0.000	1	68.3340	3.290	3	79.9510	801.291	40
722	74	74	4:SPD5_SP2_SP2	Si[4,5]	N[4]	N[4]	3:3:2:2:3:	5:3:4:	5:3:4:	N[4]-3:N[4]-3:O[5]-2:O[5]-2:N-3:	Si[4,5]-5:C[4]-3:C-4:	Si[4,5]-5:C[4]-3:C-4:	Si[4,5](N[4]C[4]C)2(O[5]C[5])2(NSi2)	N[4](Si[4,5]N[4]O[5]2N)(C[4]C[6a]N[4])(CC3)	N[4](Si[4,5]N[4]O[5]2N)(C[4]C[6a]N[4])(CC3)	Si[4,5](N[4]C[4]C)2(O[5]C[5])2(NSi2){2|H<1>,3|C<3>}	N[4](Si[4,5]N[4]O[5]2N)(C[4]C[6a]N[4])(CC3){2|C<3>,3|C<4>}	N[4](Si[4,5]N[4]O[5]2N)(C[4]C[6a]N[4])(CC3){2|C<3>,3|C<4>}	68.4525	0.000	1	68.4525	0.000	1	68.4525	0.000	1	68.4525	0.000	1	68.3340	3.290	3	79.9510	801.291	40
722	74	74	4:SPD5_SP2_SP2	Si[4,5]	N[4]	N[4]	4:4:3:3:3:	5:3:4:	5:3:4:	C[5]-4:C[5]-4:N[4]-3:N[4]-3:N-3:	Si[4,5]-5:C[4]-3:C-4:	Si[4,5]-5:C[4]-3:C-4:	Si[4,5](C[5]C[6a]C[5]H)2(N[4]C[4]C)2(NCC)	N[4](Si[4,5]C[5]2N[4]N)(C[4]C[6a]N[4])(CCCH)	N[4](Si[4,5]C[5]2N[4]N)(C[4]C[6a]N[4])(CCCH)	Si[4,5](C[5]C[6a]C[5]H)2(N[4]C[4]C)2(NCC){2|H<1>,5|C<3>}	N[4](Si[4,5]C[5]2N[4]N)(C[4]C[6a]N[4])(CCCH){1|C<4>,2|H<1>,6|C<3>}	N[4](Si[4,5]C[5]2N[4]N)(C[4]C[6a]N[4])(CCCH){1|C<4>,2|H<1>,6|C<3>}	66.4638	0.000	1	66.4638	0.000	1	66.4638	0.000	1	66.4638	0.000	1	68.3340	3.290	3	79.9510	801.291	40
722	74	74	4:SPD5_SP2_SP2	Si[4]	N[4]	N[4]	3:3:1:1:1:	3:5:3:	3:5:3:	N[4]-3:N[4]-3:Cl-1:Cl-1:Cl-1:	C[4]-3:Si[4]-5:C[6a]-3:	C[4]-3:Si[4]-5:C[6a]-3:	Si[4](N[4]C[6a]C[4])2(Cl)3	N[4](C[4]C[6a]N[4])(Si[4]N[4]Cl3)(C[6a]C[6a]2)	N[4](C[4]C[6a]N[4])(Si[4]N[4]Cl3)(C[6a]C[6a]2)	Si[4](N[4]C[6a]C[4])2(Cl)3{5|C<3>}	N[4](C[4]C[6a]N[4])(Si[4]N[4]Cl3)(C[6a]C[6a]2){2|C<4>,5|C<3>}	N[4](C[4]C[6a]N[4])(Si[4]N[4]Cl3)(C[6a]C[6a]2){2|C<4>,5|C<3>}	68.8090	0.000	1	68.8090	0.000	1	68.8090	0.000	1	68.8090	0.000	1	69.4188	0.567	16	79.9510	801.291	40
722	74	74	4:SPD5_SP2_SP2	Si[4]	N[4]	N[4]	3:3:1:1:1:	3:5:3:	3:5:4:	N[4]-3:N[4]-3:Cl-1:Cl-1:Cl-1:	C[4]-3:Si[4]-5:C[6a]-3:	C[4]-3:Si[4]-5:C-4:	Si[4](N[4]C[6a]C[4])(N[4]C[4]C)(Cl)3	N[4](C[4]C[6a]N[4])(Si[4]N[4]Cl3)(C[6a]C[6a]2)	N[4](C[4]C[6a]N[4])(Si[4]N[4]Cl3)(CC3)	Si[4](N[4]C[6a]C[4])(N[4]C[4]C)(Cl)3{3|C<3>}	N[4](C[4]C[6a]N[4])(Si[4]N[4]Cl3)(C[6a]C[6a]2){3|C<4>,4|C<3>}	N[4](C[4]C[6a]N[4])(Si[4]N[4]Cl3)(CC3){3|C<3>}	69.2423	0.000	1	69.2423	0.000	1	69.2423	0.000	1	69.2423	0.000	1	69.4188	0.567	16	79.9510	801.291	40
722	74	74	4:SPD5_SP2_SP2	Si[4]	N[4]	N[4]	3:3:1:1:1:	3:5:4:	3:5:4:	N[4]-3:N[4]-3:Cl-1:Cl-1:Cl-1:	C[4]-3:Si[4]-5:C-4:	C[4]-3:Si[4]-5:C-4:	Si[4](N[4]C[4]C)2(Cl)3	N[4](C[4]C[6a]N[4])(Si[4]N[4]Cl3)(CC3)	N[4](C[4]C[6a]N[4])(Si[4]N[4]Cl3)(CC3)	Si[4](N[4]C[4]C)2(Cl)3{1|C<3>}	N[4](C[4]C[6a]N[4])(Si[4]N[4]Cl3)(CC3){1|C<4>,2|C<3>}	N[4](C[4]C[6a]N[4])(Si[4]N[4]Cl3)(CC3){1|C<4>,2|C<3>}	70.1376	0.000	1	70.1376	0.000	1	70.1376	0.000	1	70.1934	0.006	2	69.4188	0.567	16	79.9510	801.291	40
722	74	74	4:SPD5_SP2_SP2	Si[4]	N[4]	N[4]	3:3:1:1:1:	3:5:4:	3:5:4:	N[4]-3:N[4]-3:F-1:F-1:F-1:	C[4]-3:Si[4]-5:C-4:	C[4]-3:Si[4]-5:C-4:	Si[4](N[4]C[4]C)2(F)3	N[4](C[4]C[6a]N[4])(Si[4]N[4]F3)(CC3)	N[4](C[4]C[6a]N[4])(Si[4]N[4]F3)(CC3)	Si[4](N[4]C[4]C)2(F)3{1|C<3>}	N[4](C[4]C[6a]N[4])(Si[4]N[4]F3)(CC3){1|C<4>,2|C<3>}	N[4](C[4]C[6a]N[4])(Si[4]N[4]F3)(CC3){1|C<4>,2|C<3>}	70.2492	0.000	1	70.2492	0.000	1	70.2492	0.000	1	70.1934	0.006	2	69.4188	0.567	16	79.9510	801.291	40
722	74	74	4:SPD5_SP2_SP2	Si[4]	N[4]	N[4]	3:3:1:1:1:	5:3:3:	5:3:4:	N[4]-3:N[4]-3:Cl-1:Cl-1:H-1:	Si[4]-5:C[4]-3:C[6a]-3:	Si[4]-5:C[4]-3:C-4:	Si[4](N[4]C[6a]C[4])(N[4]C[4]C)(Cl)2(H)	N[4](Si[4]N[4]Cl2H)(C[4]C[6a]N[4])(C[6a]C[6a]2)	N[4](Si[4]N[4]Cl2H)(C[4]C[6a]N[4])(CC3)	Si[4](N[4]C[6a]C[4])(N[4]C[4]C)(Cl)2(H){3|C<3>}	N[4](Si[4]N[4]Cl2H)(C[4]C[6a]N[4])(C[6a]C[6a]2){3|C<4>,4|C<3>}	N[4](Si[4]N[4]Cl2H)(C[4]C[6a]N[4])(CC3){3|C<3>}	68.4392	0.352	2	68.4392	0.124	2	68.4392	0.124	2	69.2994	2.282	3	69.4188	0.567	16	79.9510	801.291	40
722	74	74	4:SPD5_SP2_SP2	Si[4]	N[4]	N[4]	3:3:1:1:1:	5:3:3:	5:3:4:	N[4]-3:N[4]-3:Cl-1:Cl-1:H-1:	Si[4]-5:C[6a]-3:C[4]-3:	Si[4]-5:C[4]-3:C-4:	Si[4](N[4]C[6a]C[4])(N[4]C[4]C)(Cl)2(H)	N[4](Si[4]N[4]Cl2H)(C[6a]C[6a]2)(C[4]N[4]N)	N[4](Si[4]N[4]Cl2H)(C[4]N[4]N)(CC3)	Si[4](N[4]C[6a]C[4])(N[4]C[4]C)(Cl)2(H){1|N<3>,2|C<3>}	N[4](Si[4]N[4]Cl2H)(C[6a]C[6a]2)(C[4]N[4]N){2|C<3>,3|C<4>}	N[4](Si[4]N[4]Cl2H)(C[4]N[4]N)(CC3){1|C<3>}	71.0199	0.000	1	71.0199	0.000	1	71.0199	0.000	1	69.2994	2.282	3	69.4188	0.567	16	79.9510	801.291	40
722	74	74	4:SPD5_SP2_SP2	Si[4]	N[4]	N[4]	3:3:1:1:1:	5:4:3:	5:3:4:	N[4]-3:N[4]-3:Cl-1:Cl-1:H-1:	Si[4]-5:C[3x6]-4:C[4]-3:	Si[4]-5:C[4]-3:C-4:	Si[4](N[4]C[3x6]C[4])(N[4]C[4]C)(Cl)2(H)	N[4](Si[4]N[4]Cl2H)(C[3x6]C[6,6]3)(C[4]C[6a]N[4])	N[4](Si[4]N[4]Cl2H)(C[4]C[6a]N[4])(CC3)	Si[4](N[4]C[3x6]C[4])(N[4]C[4]C)(Cl)2(H){1|C<3>,3|C<4>}	N[4](Si[4]N[4]Cl2H)(C[3x6]C[6,6]3)(C[4]C[6a]N[4]){2|C<3>,4|C<4>,6|H<1>}	N[4](Si[4]N[4]Cl2H)(C[4]C[6a]N[4])(CC3){1|C<4>,2|C<3>}	69.9675	0.000	1	69.9675	0.000	1	69.9675	0.000	1	69.9675	0.000	1	69.4188	0.567	16	79.9510	801.291	40
722	74	74	4:SPD5_SP2_SP2	Si[4]	N[4]	N[4]	3:3:2:1:1:	3:5:4:	3:5:4:	N[4]-3:N[4]-3:O-2:F-1:F-1:	C[4]-3:Si[4]-5:C-4:	C[4]-3:Si[4]-5:C-4:	Si[4](N[4]C[4]C)2(OC[6a])(F)2	N[4](C[4]C[6a]N[4])(Si[4]N[4]FFO)(CCCH)	N[4](C[4]C[6a]N[4])(Si[4]N[4]FFO)(CCCH)	Si[4](N[4]C[4]C)2(OC[6a])(F)2{1|C<3>}	N[4](C[4]C[6a]N[4])(Si[4]N[4]FFO)(CCCH){1|C<4>,2|C<3>}	N[4](C[4]C[6a]N[4])(Si[4]N[4]FFO)(CCCH){1|C<4>,2|C<3>}	68.9739	0.000	1	68.9739	0.000	1	68.9739	0.000	1	68.9739	0.000	1	69.4188	0.567	16	79.9510	801.291	40
722	74	74	4:SPD5_SP2_SP2	Si[4]	N[4]	N[4]	3:3:3:1:1:	5:3:4:	5:3:4:	N[4]-3:N[4]-3:N-3:Cl-1:F-1:	Si[4]-5:C[4]-3:C-4:	Si[4]-5:C[4]-3:C-4:	Si[4](N[4]C[4]C)2(NC[6a]C)(Cl)(F)	N[4](Si[4]N[4]ClFN)(C[4]C[6a]N[4])(CC3)	N[4](Si[4]N[4]ClFN)(C[4]C[6a]N[4])(CC3)	Si[4](N[4]C[4]C)2(NC[6a]C)(Cl)(F){1|C<3>}	N[4](Si[4]N[4]ClFN)(C[4]C[6a]N[4])(CC3){1|C<4>,2|C<3>}	N[4](Si[4]N[4]ClFN)(C[4]C[6a]N[4])(CC3){1|C<4>,2|C<3>}	69.5126	0.000	2	69.5126	0.000	2	69.5126	0.000	2	69.6695	0.074	3	69.4188	0.567	16	79.9510	801.291	40
722	74	74	4:SPD5_SP2_SP2	Si[4]	N[4]	N[4]	3:3:3:1:1:	5:3:4:	5:3:4:	N[4]-3:N[4]-3:N-3:Cl-1:H-1:	Si[4]-5:C[4]-3:C-4:	Si[4]-5:C[4]-3:C-4:	Si[4](N[4]C[4]C)2(NHN)(Cl)(H)	N[4](Si[4]N[4]ClHN)(C[4]C[6a]N[4])(CC3)	N[4](Si[4]N[4]ClHN)(C[4]C[6a]N[4])(CC3)	Si[4](N[4]C[4]C)2(NHN)(Cl)(H){1|C<3>}	N[4](Si[4]N[4]ClHN)(C[4]C[6a]N[4])(CC3){1|C<4>,2|C<3>}	N[4](Si[4]N[4]ClHN)(C[4]C[6a]N[4])(CC3){1|C<4>,2|C<3>}	69.9832	0.000	1	69.9832	0.000	1	69.9832	0.000	1	69.6695	0.074	3	69.4188	0.567	16	79.9510	801.291	40
722	74	74	4:SPD5_SP2_SP2	Si[4]	N[4]	N[4]	3:3:3:2:1:	3:5:4:	3:5:4:	N[4]-3:N[4]-3:N-3:O-2:F-1:	C[4]-3:Si[4]-5:C-4:	C[4]-3:Si[4]-5:C-4:	Si[4](N[4]C[4]C)2(NSi2)(OC)(F)	N[4](C[4]C[6a]N[4])(Si[4]N[4]FNO)(CC3)	N[4](C[4]C[6a]N[4])(Si[4]N[4]FNO)(CC3)	Si[4](N[4]C[4]C)2(NSi2)(OC)(F){1|C<3>}	N[4](C[4]C[6a]N[4])(Si[4]N[4]FNO)(CC3){1|C<4>,2|C<3>}	N[4](C[4]C[6a]N[4])(Si[4]N[4]FNO)(CC3){1|C<4>,2|C<3>}	68.5694	0.000	1	68.5694	0.000	1	68.5694	0.000	1	68.5694	0.000	1	69.4188	0.567	16	79.9510	801.291	40
722	74	74	4:SPD5_SP2_SP2	Si[4]	N[4]	N[4]	3:3:3:3:1:	5:3:4:	5:3:4:	C[6a]-3:N[4]-3:N[4]-3:N-3:F-1:	Si[4]-5:C[4]-3:C-4:	Si[4]-5:C[4]-3:C-4:	Si[4](C[6a]C[6a]2)(N[4]C[4]C)2(NCC)(F)	N[4](Si[4]C[6a]N[4]FN)(C[4]C[6a]N[4])(CC3)	N[4](Si[4]C[6a]N[4]FN)(C[4]C[6a]N[4])(CC3)	Si[4](C[6a]C[6a]2)(N[4]C[4]C)2(NCC)(F){2|F<1>,3|C<3>}	N[4](Si[4]C[6a]N[4]FN)(C[4]C[6a]N[4])(CC3){1|C<4>,4|C<3>}	N[4](Si[4]C[6a]N[4]FN)(C[4]C[6a]N[4])(CC3){1|C<4>,4|C<3>}	69.0446	0.000	1	69.0446	0.000	1	69.0446	0.000	1	69.0446	0.000	1	69.4188	0.567	16	79.9510	801.291	40
722	74	74	4:SPD5_SP2_SP2	Si[4]	N[4]	N[4]	3:3:4:1:1:	5:3:4:	5:3:4:	N[4]-3:N[4]-3:C-4:Cl-1:Cl-1:	Si[4]-5:C[4]-3:C-4:	Si[4]-5:C[4]-3:C-4:	Si[4](N[4]C[4]C)2(CSi[4]HH)(Cl)2	N[4](Si[4]N[4]Cl2C)(C[4]C[6a]N[4])(CC3)	N[4](Si[4]N[4]Cl2C)(C[4]C[6a]N[4])(CC3)	Si[4](N[4]C[4]C)2(CSi[4]HH)(Cl)2{1|C<3>}	N[4](Si[4]N[4]Cl2C)(C[4]C[6a]N[4])(CC3){1|C<4>,2|C<3>}	N[4](Si[4]N[4]Cl2C)(C[4]C[6a]N[4])(CC3){1|C<4>,2|C<3>}	69.4001	0.765	2	69.4001	0.586	2	69.4001	0.586	2	69.4001	0.586	2	69.4188	0.567	16	79.9510	801.291	40
722	74	74	6:SPD5_SP2_SP2	Si[4,6]	N[4,6]	N[4,6]	3:3:3:1:1:	5:5:3:	5:5:3:	N[4,6]-3:N[4,6]-3:N[6]-3:F-1:F-1:	Si[4,6]-5:Si[4,6]-5:C[6]-3:	Si[4,6]-5:Si[4,6]-5:C[6]-3:	Si[4,6](N[4,6]Si[4,6]C[6])2(N[6]C[6a]C[6])(F)2	N[4,6](Si[4,6]N[4,6]N[6]FF)2(C[6]N[6]N)	N[4,6](Si[4,6]N[4,6]N[6]FF)2(C[6]N[6]N)	Si[4,6](N[4,6]Si[4,6]C[6])2(N[6]C[6a]C[6])(F)2{2|C<3>,2|F<1>,2|N<2>,4|N<3>}	N[4,6](Si[4,6]N[4,6]N[6]FF)2(C[6]N[6]N){5|C<3>}	N[4,6](Si[4,6]N[4,6]N[6]FF)2(C[6]N[6]N){5|C<3>}	78.1646	0.000	1	78.1646	0.000	1	78.1646	0.000	1	78.1646	0.000	1	78.1646	0.000	1	78.1646	0.000	1
722	74	226	0:SPD5_SP2_SP2	Si[4,4]	N[4]	O[4]	5:3:3:2:2:	5:3:4:	5:3:	C[3x3,4,3x5,14x6]-5:N[4]-3:N[4]-3:O[4]-2:O[4]-2:	Si[4,4]-5:C[4]-3:C-4:	Si[4,4]-5:C[4]-3:	Si[4,4](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(N[4]C[4]C)2(O[4]C[4])2	N[4](Si[4,4]C[3x3,4,3x5,14x6]N[4]O[4]2)(C[4]C[6a]N[4])(CC3)	O[4](Si[4,4]C[3x3,4,3x5,14x6]N[4]2O[4])(C[4]O[4]O)	Si[4,4](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(N[4]C[4]C)2(O[4]C[4])2{1|C<3>,1|C<5>,1|O<1>,4|H<1>,5|B<6>}	N[4](Si[4,4]C[3x3,4,3x5,14x6]N[4]O[4]2)(C[4]C[6a]N[4])(CC3){1|C<4>,3|C<3>,4|B<6>}	O[4](Si[4,4]C[3x3,4,3x5,14x6]N[4]2O[4])(C[4]O[4]O){1|C<3>,2|C<4>,4|B<6>}	120.0907	28.723	4	120.0907	825.036	4	120.0907	825.036	4	120.0907	825.036	4	120.0907	825.036	4	120.0907	825.036	4
722	74	226	0:SPD5_SP2_SP3	Si[4,4,5]	N[4]	O[4]	3:4:3:3:2:	5:3:4:	5:4:	C[5,6a]-3:Si[4,5]-4:N[4]-3:N[4]-3:O[4]-2:	Si[4,4,5]-5:C[4]-3:C-4:	Si[4,4,5]-5:C[4]-4:	Si[4,4,5](C[5,6a]C[5,6a,6a]C[6a])(Si[4,5]C[5,6a]C[4]N)(N[4]C[4]C)2(O[4]C[4])	N[4](Si[4,4,5]C[5,6a]Si[4,5]N[4]O[4])(C[4]C[6a]N[4])(CC3)	O[4](Si[4,4,5]C[5,6a]Si[4,5]N[4]2)(C[4]Si[4,5]C[6a]2)	Si[4,4,5](C[5,6a]C[5,6a,6a]C[6a])(Si[4,5]C[5,6a]C[4]N)(N[4]C[4]C)2(O[4]C[4]){1|H<1>,6|C<3>}	N[4](Si[4,4,5]C[5,6a]Si[4,5]N[4]O[4])(C[4]C[6a]N[4])(CC3){1|N<3>,2|C<4>,5|C<3>}	O[4](Si[4,4,5]C[5,6a]Si[4,5]N[4]2)(C[4]Si[4,5]C[6a]2){1|N<3>,2|C<4>,8|C<3>}	124.0524	41.285	2	124.0524	1704.422	2	124.0524	1704.422	2	124.0524	1704.422	2	106.7022	537.781	6	115.9073	789.155	30
722	74	226	0:SPD5_SP2_SP3	Si[4,4,5]	N[4]	O[4]	6:3:2:3:3:	5:3:4:	5:5:	C[5x3,6x5,20x6]-6:C[4,5]-3:O[4]-2:N[4]-3:N[4]-3:	Si[4,4,5]-5:C[4]-3:C-4:	Si[4,4,5]-5:Si[4,4]-5:	Si[4,4,5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[4,5]Si[4,4]C[5])(O[4]Si[4,4])(N[4]C[4]C)2	N[4](Si[4,4,5]C[5x3,6x5,20x6]C[4,5]N[4]O[4])(C[4]C[6a]N[4])(CC3)	O[4](Si[4,4,5]C[5x3,6x5,20x6]C[4,5]N[4]2)(Si[4,4]C[4,5]N[4]2O)	Si[4,4,5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[4,5]Si[4,4]C[5])(O[4]Si[4,4])(N[4]C[4]C)2{1|C<3>,2|N<3>,2|O<2>,4|H<1>,5|B<6>}	N[4](Si[4,4,5]C[5x3,6x5,20x6]C[4,5]N[4]O[4])(C[4]C[6a]N[4])(CC3){1|Si<5>,1|C<4>,1|C<6>,3|C<3>,4|B<6>}	O[4](Si[4,4,5]C[5x3,6x5,20x6]C[4,5]N[4]2)(Si[4,4]C[4,5]N[4]2O){1|C<6>,3|C<3>,4|B<6>,4|C<4>}	98.0271	5.209	4	98.0271	27.131	4	98.0271	27.131	4	98.0271	27.131	4	106.7022	537.781	6	115.9073	789.155	30
722	74	226	0:SPD5_SP2_SP3	Si[4,4]	N[4]	O[4]	2:2:3:3:3:	5:3:4:	5:5:	O[4]-2:O[4]-2:N[4]-3:N[4]-3:N-3:	Si[4,4]-5:C[4]-3:C-4:	Si[4,4]-5:Si[4,4]-5:	Si[4,4](O[4]Si[4,4])2(N[4]C[4]C)2(NCC)	N[4](Si[4,4]N[4]O[4]2N)(C[4]C[6a]N[4])(CC3)	O[4](Si[4,4]N[4]2O[4]N)2	Si[4,4](O[4]Si[4,4])2(N[4]C[4]C)2(NCC){1|C<3>,3|N<3>}	N[4](Si[4,4]N[4]O[4]2N)(C[4]C[6a]N[4])(CC3){1|Si<5>,1|C<4>,2|C<3>}	O[4](Si[4,4]N[4]2O[4]N)2{2|C<3>,4|C<4>}	117.7043	29.319	8	117.7043	859.625	8	118.2165	837.147	12	118.2165	837.147	12	118.2085	850.483	24	115.9073	789.155	30
722	74	226	0:SPD5_SP2_SP3	Si[4,4]	N[4]	O[4]	2:2:3:3:3:	5:3:4:	5:5:	O[4]-2:O[4]-2:N[4]-3:N[4]-3:N-3:	Si[4,4]-5:C[4]-3:C-4:	Si[4,4]-5:Si[4,4]-5:	Si[4,4](O[4]Si[4,4])2(N[4]C[4]C)2(NC[6a]2)	N[4](Si[4,4]N[4]O[4]2N)(C[4]C[6a]N[4])(CC3)	O[4](Si[4,4]N[4]2O[4]N)2	Si[4,4](O[4]Si[4,4])2(N[4]C[4]C)2(NC[6a]2){1|C<3>,3|N<3>}	N[4](Si[4,4]N[4]O[4]2N)(C[4]C[6a]N[4])(CC3){1|Si<5>,1|C<4>,2|C<3>}	O[4](Si[4,4]N[4]2O[4]N)2{2|C<3>,4|C<4>}	119.2411	32.583	4	119.2411	1061.647	4	118.2165	837.147	12	118.2165	837.147	12	118.2085	850.483	24	115.9073	789.155	30
722	74	226	0:SPD5_SP2_SP3	Si[4,4]	N[4]	O[4]	2:2:3:3:4:	5:3:4:	5:5:	O[4]-2:O[4]-2:N[4]-3:N[4]-3:C-4:	Si[4,4]-5:C[4]-3:C-4:	Si[4,4]-5:Si[4,4]-5:	Si[4,4](O[4]Si[4,4])2(N[4]C[4]C)2(CC[6a]2H)	N[4](Si[4,4]N[4]O[4]2C)(C[4]C[6a]N[4])(CC3)	O[4](Si[4,4]N[4]2O[4]C)2	Si[4,4](O[4]Si[4,4])2(N[4]C[4]C)2(CC[6a]2H){1|C<3>,1|C<4>,2|N<3>}	N[4](Si[4,4]N[4]O[4]2C)(C[4]C[6a]N[4])(CC3){1|Si<5>,1|C<4>,2|C<3>}	O[4](Si[4,4]N[4]2O[4]C)2{2|C<3>,4|C<4>}	119.2622	32.003	4	119.2622	1024.210	4	119.2622	1024.210	4	119.2622	1024.210	4	118.2085	850.483	24	115.9073	789.155	30
722	74	226	0:SPD5_SP2_SP3	Si[4,4]	N[4]	O[4]	3:2:3:3:2:	5:3:4:	5:5:	C[4,5]-3:O[4]-2:N[4]-3:N[4]-3:O-2:	Si[4,4]-5:C[4]-3:C-4:	Si[4,4,5]-5:Si[4,4]-5:	Si[4,4](C[4,5]Si[4,4,5]C[5])(O[4]Si[4,4,5])(N[4]C[4]C)2(OC[5])	N[4](Si[4,4]C[4,5]N[4]O[4]O)(C[4]C[6a]N[4])(CC3)	O[4](Si[4,4,5]C[5x3,6x5,20x6]C[4,5]N[4]2)(Si[4,4]C[4,5]N[4]2O)	Si[4,4](C[4,5]Si[4,4,5]C[5])(O[4]Si[4,4,5])(N[4]C[4]C)2(OC[5]){1|C<3>,1|O<2>,2|C<6>,2|N<3>}	N[4](Si[4,4]C[4,5]N[4]O[4]O)(C[4]C[6a]N[4])(CC3){1|Si<5>,1|C<4>,3|C<3>}	O[4](Si[4,4,5]C[5x3,6x5,20x6]C[4,5]N[4]2)(Si[4,4]C[4,5]N[4]2O){1|C<6>,3|C<3>,4|B<6>,4|C<4>}	100.5699	11.811	4	100.5699	139.491	4	100.5699	139.491	4	100.5699	139.491	4	118.2085	850.483	24	115.9073	789.155	30
722	74	226	0:SPD5_SP2_SP3	Si[4,4]	N[4]	O[4]	4:3:2:3:3:	5:3:4:	5:4:	Si[4,3x6]-4:C[6a]-3:O[4]-2:N[4]-3:N[4]-3:	Si[4,4]-5:C[4]-3:C-4:	Si[4,4]-5:Si[4,6]-4:	Si[4,4](Si[4,3x6]Si[4,6,6]Si[4,6]C[4x6])(C[6a]C[6,6a]C[6a])(O[4]Si[4,6])(N[4]C[4]C)2	N[4](Si[4,4]Si[4,3x6]C[6a]N[4]O[4])(C[4]C[6a]N[4])(CC3)	O[4](Si[4,4]Si[4,3x6]C[6a]N[4]2)(Si[4,6]Si[4,3x6]C[6a]N[6])	Si[4,4](Si[4,3x6]Si[4,6,6]Si[4,6]C[4x6])(C[6a]C[6,6a]C[6a])(O[4]Si[4,6])(N[4]C[4]C)2{1|Si<4>,1|Si<5>,1|C<4>,1|N<3>,1|O<2>,2|H<1>,6|C<3>}	N[4](Si[4,4]Si[4,3x6]C[6a]N[4]O[4])(C[4]C[6a]N[4])(CC3){2|Si<4>,2|C<4>,4|C<3>}	O[4](Si[4,4]Si[4,3x6]C[6a]N[4]2)(Si[4,6]Si[4,3x6]C[6a]N[6]){1|Si<4>,4|C<4>,6|C<3>}	135.8595	47.193	2	135.8595	2227.181	2	135.8595	2227.181	2	135.8595	2227.181	2	118.2085	850.483	24	115.9073	789.155	30
722	74	226	0:SPD5_SP2_SP3	Si[4,4]	N[4]	O[4]	4:3:3:3:2:	5:3:4:	5:4:	Si[4,6,6]-4:C[6a]-3:N[4]-3:N[4]-3:O[4]-2:	Si[4,4]-5:C[4]-3:C-4:	Si[4,4]-5:Si[4]-4:	Si[4,4](Si[4,6,6]Si[4,3x6]C[3x6]Si[4])(C[6a]C[6,6a]C[6a])(N[4]C[4]C)2(O[4]Si[4])	N[4](Si[4,4]Si[4,6,6]C[6a]N[4]O[4])(C[4]C[6a]N[4])(CC3)	O[4](Si[4,4]Si[4,6,6]C[6a]N[4]2)(Si[4]Si[4,6,6]C[6a]N)	Si[4,4](Si[4,6,6]Si[4,3x6]C[3x6]Si[4])(C[6a]C[6,6a]C[6a])(N[4]C[4]C)2(O[4]Si[4]){1|Si<4>,1|Si<5>,1|C<4>,1|N<3>,1|O<2>,2|H<1>,6|C<3>}	N[4](Si[4,4]Si[4,6,6]C[6a]N[4]O[4])(C[4]C[6a]N[4])(CC3){2|Si<4>,2|C<4>,4|C<3>}	O[4](Si[4,4]Si[4,6,6]C[6a]N[4]2)(Si[4]Si[4,6,6]C[6a]N){1|Si<4>,3|C<4>,5|C<3>}	133.6795	47.786	2	133.6795	2283.461	2	133.6795	2283.461	2	133.6795	2283.461	2	118.2085	850.483	24	115.9073	789.155	30
722	74	362	0:SPD5_SP2_SPD6	Si[4,4,5]	N[4]	C[5x3,6x5,20x6]	6:3:2:3:3:	5:3:4:	6:6:6:6:6:5:	C[5x3,6x5,20x6]-6:C[4,5]-3:O[4]-2:N[4]-3:N[4]-3:	Si[4,4,5]-5:C[4]-3:C-4:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,6x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:Si[4,4,5]-5:	Si[4,4,5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[4,5]Si[4,4]C[5])(O[4]Si[4,4])(N[4]C[4]C)2	N[4](Si[4,4,5]C[5x3,6x5,20x6]C[4,5]N[4]O[4])(C[4]C[6a]N[4])(CC3)	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(Si[4,4,5]C[4,5]N[4]2O[4])	Si[4,4,5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[4,5]Si[4,4]C[5])(O[4]Si[4,4])(N[4]C[4]C)2{1|C<3>,2|N<3>,2|O<2>,4|H<1>,5|B<6>}	N[4](Si[4,4,5]C[5x3,6x5,20x6]C[4,5]N[4]O[4])(C[4]C[6a]N[4])(CC3){1|Si<5>,1|C<4>,1|C<6>,3|C<3>,4|B<6>}	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(Si[4,4,5]C[4,5]N[4]2O[4]){1|Si<5>,1|B<6>,1|C<3>,1|O<2>,2|C<4>,5|H<1>}	93.9219	3.794	4	93.9219	14.392	4	93.9219	14.392	4	93.9219	14.392	4	93.9219	14.392	4	93.9219	14.392	4
722	74	474	0:SPD5_SP2_SP3	Si[4,5]	N[4]	C[5]	4:4:3:3:3:	5:3:4:	5:3:3:1:	C[5]-4:C[5]-4:N[4]-3:N[4]-3:N-3:	Si[4,5]-5:C[4]-3:C-4:	Si[4,5]-5:C[6a]-3:C[5]-3:H-1:	Si[4,5](C[5]C[6a]C[5]H)2(N[4]C[4]C)2(NCC)	N[4](Si[4,5]C[5]2N[4]N)(C[4]C[6a]N[4])(CCCH)	C[5](Si[4,5]C[5]N[4]2N)(C[6a]C[6a]2)(C[5]C[5]H)(H)	Si[4,5](C[5]C[6a]C[5]H)2(N[4]C[4]C)2(NCC){2|H<1>,5|C<3>}	N[4](Si[4,5]C[5]2N[4]N)(C[4]C[6a]N[4])(CCCH){1|C<4>,2|H<1>,6|C<3>}	C[5](Si[4,5]C[5]N[4]2N)(C[6a]C[6a]2)(C[5]C[5]H)(H){2|C<4>,4|C<3>,4|H<1>}	118.1832	40.912	3	118.1832	1673.775	3	118.1832	1673.775	3	118.1832	1673.775	3	118.1832	1673.775	3	118.1832	1673.775	3
722	74	490	0:SPD5_SP2_SP3	Si[4,4]	N[4]	C	2:2:3:3:4:	5:3:4:	5:3:3:1:	O[4]-2:O[4]-2:N[4]-3:N[4]-3:C-4:	Si[4,4]-5:C[4]-3:C-4:	Si[4,4]-5:C[6a]-3:C[6a]-3:H-1:	Si[4,4](O[4]Si[4,4])2(N[4]C[4]C)2(CC[6a]2H)	N[4](Si[4,4]N[4]O[4]2C)(C[4]C[6a]N[4])(CC3)	C(Si[4,4]N[4]2O[4]2)(C[6a]C[6a]2)2(H)	Si[4,4](O[4]Si[4,4])2(N[4]C[4]C)2(CC[6a]2H){1|C<3>,1|C<4>,2|N<3>}	N[4](Si[4,4]N[4]O[4]2C)(C[4]C[6a]N[4])(CC3){1|Si<5>,1|C<4>,2|C<3>}	C(Si[4,4]N[4]2O[4]2)(C[6a]C[6a]2)2(H)	105.8439	14.756	2	105.8439	217.743	2	105.8439	217.743	2	105.8439	217.743	2	105.8439	217.743	2	107.3790	214.913	6
722	74	490	0:SPD5_SP2_SP3	Si[4]	N[4]	C	3:3:4:1:1:	5:3:4:	5:5:1:1:	N[4]-3:N[4]-3:C-4:Cl-1:Cl-1:	Si[4]-5:C[4]-3:C-4:	Si[4]-5:Si[4]-5:H-1:H-1:	Si[4](N[4]C[4]C)2(CSi[4]HH)(Cl)2	N[4](Si[4]N[4]Cl2C)(C[4]C[6a]N[4])(CC3)	C(Si[4]N[4]2Cl2)2(H)2	Si[4](N[4]C[4]C)2(CSi[4]HH)(Cl)2{1|C<3>}	N[4](Si[4]N[4]Cl2C)(C[4]C[6a]N[4])(CC3){1|C<4>,2|C<3>}	C(Si[4]N[4]2Cl2)2(H)2	108.1466	16.830	4	108.1466	283.250	4	108.1466	283.250	4	108.1466	283.250	4	108.1466	283.250	4	107.3790	214.913	6
722	74	643	0:SPD5_SP2_SP2	Si[4,4]	N[4,6]	C[6a]	3:3:3:2:2:	5:3:3:	5:3:3:	N[4,6]-3:N[4,6]-3:C[6a]-3:S[4]-2:S[4]-2:	Si[4,4]-5:C[4,6]-3:C[6]-3:	Si[4,4]-5:C[6a]-3:C[6a]-3:	Si[4,4](N[4,6]C[4,6]C[6])2(C[6a]C[6a]2)(S[4]C[4,6])2	N[4,6](Si[4,4]N[4,6]C[6a]S[4]2)(C[4,6]C[6]S[4])(C[6]C[6]H)	C[6a](Si[4,4]N[4,6]2S[4]2)(C[6a]C[6a]H)2	Si[4,4](N[4,6]C[4,6]C[6])2(C[6a]C[6a]2)(S[4]C[4,6])2{4|H<1>,6|C<3>}	N[4,6](Si[4,4]N[4,6]C[6a]S[4]2)(C[4,6]C[6]S[4])(C[6]C[6]H){2|H<1>,5|C<3>}	C[6a](Si[4,4]N[4,6]2S[4]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	100.0310	0.000	1	100.0310	0.000	1	100.0310	0.000	1	100.0310	0.000	1	100.0310	0.000	1	122.4457	1108.524	10
722	74	643	0:SPD5_SP2_SP2	Si[4,4]	N[4]	C[6a]	4:3:2:3:3:	5:3:4:	5:3:3:	Si[4,3x6]-4:C[6a]-3:O[4]-2:N[4]-3:N[4]-3:	Si[4,4]-5:C[4]-3:C-4:	Si[4,4]-5:C[6,6a]-3:C[6a]-3:	Si[4,4](Si[4,3x6]Si[4,6,6]Si[4,6]C[4x6])(C[6a]C[6,6a]C[6a])(O[4]Si[4,6])(N[4]C[4]C)2	N[4](Si[4,4]Si[4,3x6]C[6a]N[4]O[4])(C[4]C[6a]N[4])(CC3)	C[6a](Si[4,4]Si[4,3x6]N[4]2O[4])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)	Si[4,4](Si[4,3x6]Si[4,6,6]Si[4,6]C[4x6])(C[6a]C[6,6a]C[6a])(O[4]Si[4,6])(N[4]C[4]C)2{1|Si<4>,1|Si<5>,1|C<4>,1|N<3>,1|O<2>,2|H<1>,6|C<3>}	N[4](Si[4,4]Si[4,3x6]C[6a]N[4]O[4])(C[4]C[6a]N[4])(CC3){2|Si<4>,2|C<4>,4|C<3>}	C[6a](Si[4,4]Si[4,3x6]N[4]2O[4])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H){2|Si<4>,1|H<1>,3|C<3>,4|C<4>}	103.5867	16.847	2	103.5867	283.806	2	103.5867	283.806	2	103.5867	283.806	2	102.9936	174.633	4	122.4457	1108.524	10
722	74	643	0:SPD5_SP2_SP2	Si[4,4]	N[4]	C[6a]	4:3:3:3:2:	5:3:4:	5:3:3:	Si[4,6,6]-4:C[6a]-3:N[4]-3:N[4]-3:O[4]-2:	Si[4,4]-5:C[4]-3:C-4:	Si[4,4]-5:C[6,6a]-3:C[6a]-3:	Si[4,4](Si[4,6,6]Si[4,3x6]C[3x6]Si[4])(C[6a]C[6,6a]C[6a])(N[4]C[4]C)2(O[4]Si[4])	N[4](Si[4,4]Si[4,6,6]C[6a]N[4]O[4])(C[4]C[6a]N[4])(CC3)	C[6a](Si[4,4]Si[4,6,6]N[4]2O[4])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)	Si[4,4](Si[4,6,6]Si[4,3x6]C[3x6]Si[4])(C[6a]C[6,6a]C[6a])(N[4]C[4]C)2(O[4]Si[4]){1|Si<4>,1|Si<5>,1|C<4>,1|N<3>,1|O<2>,2|H<1>,6|C<3>}	N[4](Si[4,4]Si[4,6,6]C[6a]N[4]O[4])(C[4]C[6a]N[4])(CC3){2|Si<4>,2|C<4>,4|C<3>}	C[6a](Si[4,4]Si[4,6,6]N[4]2O[4])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H){2|Si<4>,1|H<1>,3|C<3>,4|C<4>}	102.4006	15.450	2	102.4006	238.687	2	102.4006	238.687	2	102.4006	238.687	2	102.9936	174.633	4	122.4457	1108.524	10
722	74	643	0:SPD5_SP2_SP2	Si[4]	N[4,6]	C[6a]	3:3:2:3:2:	5:3:3:	5:3:3:	N[4,6]-3:C[6a]-3:S[4]-2:N[6]-3:N-2:	Si[4]-5:C[4,6]-3:C[6]-3:	Si[4]-5:C[6a]-3:C[6a]-3:	Si[4](N[4,6]C[4,6]C[6])(C[6a]C[6a]2)(S[4]C[4,6])(N[6]C[6]2)(NC)	N[4,6](Si[4]C[6a]N[6]S[4]N)(C[4,6]C[6]S[4])(C[6]C[6]H)	C[6a](Si[4]N[4,6]N[6]S[4]N)(C[6a]C[6a]H)2	Si[4](N[4,6]C[4,6]C[6])(C[6a]C[6a]2)(S[4]C[4,6])(N[6]C[6]2)(NC){1|S<1>,4|H<1>,6|C<3>}	N[4,6](Si[4]C[6a]N[6]S[4]N)(C[4,6]C[6]S[4])(C[6]C[6]H){2|H<1>,5|C<3>}	C[6a](Si[4]N[4,6]N[6]S[4]N)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	169.0995	0.868	2	169.0995	0.753	2	168.6753	0.916	3	168.6753	0.916	3	168.6753	0.916	3	122.4457	1108.524	10
722	74	643	0:SPD5_SP2_SP2	Si[4]	N[4,6]	C[6a]	3:3:2:3:2:	5:3:3:	5:3:3:	N[4,6]-3:C[6a]-3:S[4]-2:N[6]-3:N-2:	Si[4]-5:C[4,6]-3:C[6]-3:	Si[4]-5:C[6a]-3:C[6a]-3:	Si[4](N[4,6]C[4,6]C[6])(C[6a]C[6a]2)(S[4]C[4,6])(N[6]C[6]2)(NN)	N[4,6](Si[4]C[6a]N[6]S[4]N)(C[4,6]C[6]S[4])(C[6]C[6]H)	C[6a](Si[4]N[4,6]N[6]S[4]N)(C[6a]C[6a]H)2	Si[4](N[4,6]C[4,6]C[6])(C[6a]C[6a]2)(S[4]C[4,6])(N[6]C[6]2)(NN){1|S<1>,4|H<1>,6|C<3>}	N[4,6](Si[4]C[6a]N[6]S[4]N)(C[4,6]C[6]S[4])(C[6]C[6]H){2|H<1>,5|C<3>}	C[6a](Si[4]N[4,6]N[6]S[4]N)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	167.8270	0.000	1	167.8270	0.000	1	168.6753	0.916	3	168.6753	0.916	3	168.6753	0.916	3	122.4457	1108.524	10
722	74	643	0:SPD5_SP2_SP2	Si[4]	N[4]	C[6a]	3:3:3:3:1:	5:3:4:	5:3:3:	C[6a]-3:N[4]-3:N[4]-3:N-3:F-1:	Si[4]-5:C[4]-3:C-4:	Si[4]-5:C[6a]-3:C[6a]-3:	Si[4](C[6a]C[6a]2)(N[4]C[4]C)2(NCC)(F)	N[4](Si[4]C[6a]N[4]FN)(C[4]C[6a]N[4])(CC3)	C[6a](Si[4]N[4]2FN)(C[6a]C[6a]F)2	Si[4](C[6a]C[6a]2)(N[4]C[4]C)2(NCC)(F){2|F<1>,3|C<3>}	N[4](Si[4]C[6a]N[4]FN)(C[4]C[6a]N[4])(CC3){1|C<4>,4|C<3>}	C[6a](Si[4]N[4]2FN)(C[6a]C[6a]F)2{1|C<3>,1|N<2>,2|C<4>,2|F<1>}	103.2126	16.842	2	103.2126	283.668	2	103.2126	283.668	2	103.2126	283.668	2	103.2126	283.668	2	122.4457	1108.524	10
722	74	722	4:SPD5_SP2_SPD5	Si[4,4]	N[4,5]	Si[4,4]	5:3:3:3:1:	5:3:3:	5:3:3:3:1:	Si[4,4]-5:N[4,5]-3:N[4,5]-3:N[5a]-3:Cl-1:	Si[4,4]-5:N[4,5]-3:C[5]-3:	Si[4,4]-5:N[4,5]-3:N[4,5]-3:N[5a]-3:Cl-1:	Si[4,4](Si[4,4]N[4,5]2N[5a]Cl)(N[4,5]N[4,5]C[5])2(N[5a]C[5a]N[5a])(Cl)	N[4,5](Si[4,4]Si[4,4]N[4,5]N[5a]Cl)(N[4,5]Si[4,4]C[5])(C[5]C[5]C)	Si[4,4](Si[4,4]N[4,5]2N[5a]Cl)(N[4,5]N[4,5]C[5])2(N[5a]C[5a]N[5a])(Cl)	Si[4,4](Si[4,4]N[4,5]2N[5a]Cl)(N[4,5]N[4,5]C[5])2(N[5a]C[5a]N[5a])(Cl){1|N<2>,3|C<4>,7|C<3>}	N[4,5](Si[4,4]Si[4,4]N[4,5]N[5a]Cl)(N[4,5]Si[4,4]C[5])(C[5]C[5]C){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,2|C<3>,2|N<3>}	Si[4,4](Si[4,4]N[4,5]2N[5a]Cl)(N[4,5]N[4,5]C[5])2(N[5a]C[5a]N[5a])(Cl){1|N<2>,3|C<4>,7|C<3>}	76.1248	0.294	4	76.1248	0.086	4	76.1248	0.086	4	76.1248	0.086	4	76.2167	0.113	8	76.2167	0.113	8
722	74	722	4:SPD5_SP2_SPD5	Si[4,4]	N[4,5]	Si[4,4]	5:3:3:3:3:	5:3:3:	5:3:3:3:3:	Si[4,4]-5:N[4,5]-3:N[4,5]-3:N[5a]-3:N[5a]-3:	Si[4,4]-5:N[4,5]-3:C[5]-3:	Si[4,4]-5:N[4,5]-3:N[4,5]-3:N[5a]-3:N[5a]-3:	Si[4,4](Si[4,4]N[4,5]2N[5a]2)(N[4,5]N[4,5]C[5])2(N[5a]C[5a]N[5a])2	N[4,5](Si[4,4]Si[4,4]N[4,5]N[5a]2)(N[4,5]Si[4,4]C[5])(C[5]C[5]C)	Si[4,4](Si[4,4]N[4,5]2N[5a]2)(N[4,5]N[4,5]C[5])2(N[5a]C[5a]N[5a])2	Si[4,4](Si[4,4]N[4,5]2N[5a]2)(N[4,5]N[4,5]C[5])2(N[5a]C[5a]N[5a])2{10|C<3>,2|N<2>,4|C<4>}	N[4,5](Si[4,4]Si[4,4]N[4,5]N[5a]2)(N[4,5]Si[4,4]C[5])(C[5]C[5]C){1|C<4>,1|H<1>,2|N<2>,3|C<3>,3|N<3>}	Si[4,4](Si[4,4]N[4,5]2N[5a]2)(N[4,5]N[4,5]C[5])2(N[5a]C[5a]N[5a])2{10|C<3>,2|N<2>,4|C<4>}	76.3085	0.394	4	76.3085	0.155	4	76.3085	0.155	4	76.3085	0.155	4	76.2167	0.113	8	76.2167	0.113	8
722	74	727	0:SPD5_SP2_SP2	Si[4,4,5]	N[4]	C[5,6a]	3:4:3:3:2:	5:3:4:	3:5:3:	C[5,6a]-3:Si[4,5]-4:N[4]-3:N[4]-3:O[4]-2:	Si[4,4,5]-5:C[4]-3:C-4:	C[5,6a,6a]-3:Si[4,4,5]-5:C[6a]-3:	Si[4,4,5](C[5,6a]C[5,6a,6a]C[6a])(Si[4,5]C[5,6a]C[4]N)(N[4]C[4]C)2(O[4]C[4])	N[4](Si[4,4,5]C[5,6a]Si[4,5]N[4]O[4])(C[4]C[6a]N[4])(CC3)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(Si[4,4,5]Si[4,5]N[4]2O[4])(C[6a]C[6a]H)	Si[4,4,5](C[5,6a]C[5,6a,6a]C[6a])(Si[4,5]C[5,6a]C[4]N)(N[4]C[4]C)2(O[4]C[4]){1|H<1>,6|C<3>}	N[4](Si[4,4,5]C[5,6a]Si[4,5]N[4]O[4])(C[4]C[6a]N[4])(CC3){1|N<3>,2|C<4>,5|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(Si[4,4,5]Si[4,5]N[4]2O[4])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<4>,4|C<3>}	103.5758	7.333	2	103.5758	53.773	2	103.5758	53.773	2	103.5758	53.773	2	103.5758	53.773	2	103.5758	53.773	2
722	74	778	0:SPD5_SP2_SPD5	Si[4,4,6,6]	N[4]	C[3x3,4,3x5,16x6]	5:3:3:3:3:	5:3:4:	6:6:6:6:5:	C[3x3,4,3x5,16x6]-5:C[4,6,6]-3:C[4]-3:N[4]-3:N[4]-3:	Si[4,4,6,6]-5:C[4]-3:C-4:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,22x6]-6:B[4x3,4,5x5,22x6]-6:Si[4,4,6,6]-5:	Si[4,4,6,6](C[3x3,4,3x5,16x6]B[4x3,4,5x5,22x6]2B[5x3,4x5,17x6]2)(C[4,6,6]Si[4,6,6]N[4])(C[4]N[4]N)(N[4]C[4]C)2	N[4](Si[4,4,6,6]C[3x3,4,3x5,16x6]C[4,6,6]C[4]N[4])(C[4]C[6a]N[4])(CC3)	C[3x3,4,3x5,16x6](B[5x3,4x5,17x6]B[4x3,4,5x5,22x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,22x6]C[3x3,4,3x5,16x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(Si[4,4,6,6]C[4,6,6]C[4]N[4]2)	Si[4,4,6,6](C[3x3,4,3x5,16x6]B[4x3,4,5x5,22x6]2B[5x3,4x5,17x6]2)(C[4,6,6]Si[4,6,6]N[4])(C[4]N[4]N)(N[4]C[4]C)2{1|C<5>,2|C<3>,2|N<3>,4|H<1>,5|B<6>}	N[4](Si[4,4,6,6]C[3x3,4,3x5,16x6]C[4,6,6]C[4]N[4])(C[4]C[6a]N[4])(CC3){1|Si<4>,1|C<4>,1|N<2>,1|N<3>,2|C<3>,4|B<6>}	C[3x3,4,3x5,16x6](B[5x3,4x5,17x6]B[4x3,4,5x5,22x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,22x6]C[3x3,4,3x5,16x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(Si[4,4,6,6]C[4,6,6]C[4]N[4]2){1|Si<4>,1|B<6>,1|C<3>,1|N<2>,1|N<3>,2|C<4>,5|H<1>}	94.8723	0.973	2	94.8723	0.947	2	94.8723	0.947	2	94.8723	0.947	2	94.8723	0.947	2	100.6794	52.445	4
722	74	778	0:SPD5_SP2_SPD5	Si[4,4]	N[4]	C[3x3,4,3x5,14x6]	5:3:3:2:2:	5:3:4:	6:6:6:6:5:	C[3x3,4,3x5,14x6]-5:N[4]-3:N[4]-3:O[4]-2:O[4]-2:	Si[4,4]-5:C[4]-3:C-4:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:Si[4,4]-5:	Si[4,4](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(N[4]C[4]C)2(O[4]C[4])2	N[4](Si[4,4]C[3x3,4,3x5,14x6]N[4]O[4]2)(C[4]C[6a]N[4])(CC3)	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(Si[4,4]N[4]2O[4]2)	Si[4,4](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(N[4]C[4]C)2(O[4]C[4])2{1|C<3>,1|C<5>,1|O<1>,4|H<1>,5|B<6>}	N[4](Si[4,4]C[3x3,4,3x5,14x6]N[4]O[4]2)(C[4]C[6a]N[4])(CC3){1|C<4>,3|C<3>,4|B<6>}	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(Si[4,4]N[4]2O[4]2){1|B<6>,1|P<3>,2|C<3>,2|C<4>,5|H<1>}	106.4865	4.636	2	106.4865	21.497	2	106.4865	21.497	2	106.4865	21.497	2	106.4865	21.497	2	100.6794	52.445	4
722	74	790	0:SPD5_SP-NON_SP2	Si[4,4]	N[4,5]	Cl	5:3:3:3:1:	5:3:3:	5:	Si[4,4]-5:N[4,5]-3:N[4,5]-3:N[5a]-3:Cl-1:	Si[4,4]-5:N[4,5]-3:C[5]-3:	Si[4,4]-5:	Si[4,4](Si[4,4]N[4,5]2N[5a]Cl)(N[4,5]N[4,5]C[5])2(N[5a]C[5a]N[5a])(Cl)	N[4,5](Si[4,4]Si[4,4]N[4,5]N[5a]Cl)(N[4,5]Si[4,4]C[5])(C[5]C[5]C)	Cl(Si[4,4]Si[4,4]N[4,5]2N[5a])	Si[4,4](Si[4,4]N[4,5]2N[5a]Cl)(N[4,5]N[4,5]C[5])2(N[5a]C[5a]N[5a])(Cl){1|N<2>,3|C<4>,7|C<3>}	N[4,5](Si[4,4]Si[4,4]N[4,5]N[5a]Cl)(N[4,5]Si[4,4]C[5])(C[5]C[5]C){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,2|C<3>,2|N<3>}	Cl(Si[4,4]Si[4,4]N[4,5]2N[5a])	98.1655	0.592	4	98.1655	0.351	4	98.1655	0.351	4	98.1655	0.351	4	98.1655	0.351	4	113.9441	687.634	60
722	74	790	0:SPD5_SP-NON_SP2	Si[4,4]	N[4]	Cl	3:3:3:3:1:	5:3:4:	5:	N[4]-3:N[4]-3:N[4]-3:N[4]-3:Cl-1:	Si[4,4]-5:C[4]-3:C-4:	Si[4,4]-5:	Si[4,4](N[4]Si[4,4]N)2(N[4]C[4]C)2(Cl)	N[4](Si[4,4]N[4]3Cl)(C[4]C[6a]N[4])(CC3)	Cl(Si[4,4]N[4]4)	Si[4,4](N[4]Si[4,4]N)2(N[4]C[4]C)2(Cl){1|Cl<1>,1|C<3>,2|N<3>}	N[4](Si[4,4]N[4]3Cl)(C[4]C[6a]N[4])(CC3){1|Si<5>,1|C<4>,2|C<3>,2|N<2>}	Cl(Si[4,4]N[4]4)	100.9322	17.297	2	100.9322	299.182	2	100.9322	299.182	2	100.9322	299.182	2	103.8317	245.352	6	113.9441	687.634	60
722	74	790	0:SPD5_SP-NON_SP2	Si[4,4]	N[4]	Cl	3:3:3:3:1:	5:5:2:	5:	N[4]-3:N[4]-3:N[4]-3:N[4]-3:Cl-1:	Si[4,4]-5:Si[4,4]-5:N-2:	Si[4,4]-5:	Si[4,4](N[4]Si[4,4]N)2(N[4]C[4]C)2(Cl)	N[4](Si[4,4]N[4]3Cl)2(NC)	Cl(Si[4,4]N[4]4)	Si[4,4](N[4]Si[4,4]N)2(N[4]C[4]C)2(Cl){1|Cl<1>,1|C<3>,2|N<3>}	N[4](Si[4,4]N[4]3Cl)2(NC){1|N<2>,2|C<3>,4|C<4>}	Cl(Si[4,4]N[4]4)	108.2070	19.723	2	108.2070	388.985	2	108.2070	388.985	2	108.2070	388.985	2	103.8317	245.352	6	113.9441	687.634	60
722	74	790	0:SPD5_SP-NON_SP2	Si[4,4]	N[4]	Cl	3:4:3:3:1:	5:3:4:	5:	C[4]-3:Si[4]-4:N[4]-3:N[4]-3:Cl-1:	Si[4,4]-5:C[4]-3:C-4:	Si[4,4]-5:	Si[4,4](C[4]C[6a]C[4])(Si[4]C[4]ClN)(N[4]C[4]C)2(Cl)	N[4](Si[4,4]Si[4]C[4]N[4]Cl)(C[4]C[6a]N[4])(CC3)	Cl(Si[4,4]Si[4]C[4]N[4]2)	Si[4,4](C[4]C[6a]C[4])(Si[4]C[4]ClN)(N[4]C[4]C)2(Cl){4|C<3>}	N[4](Si[4,4]Si[4]C[4]N[4]Cl)(C[4]C[6a]N[4])(CC3){1|Cl<1>,1|C<4>,1|N<3>,4|C<3>}	Cl(Si[4,4]Si[4]C[4]N[4]2)	102.3560	21.889	2	102.3560	479.137	2	102.3560	479.137	2	102.3560	479.137	2	103.8317	245.352	6	113.9441	687.634	60
722	74	790	0:SPD5_SP-NON_SP2	Si[4,5]	N[4]	Cl	3:3:2:2:1:	5:3:4:	5:	N[4]-3:N[4]-3:O[5]-2:O[5]-2:Cl-1:	Si[4,5]-5:C[4]-3:C-4:	Si[4,5]-5:	Si[4,5](N[4]C[4]C)2(O[5]C[5])2(Cl)	N[4](Si[4,5]N[4]O[5]2Cl)(C[4]C[6a]N[4])(CC3)	Cl(Si[4,5]N[4]2O[5]2)	Si[4,5](N[4]C[4]C)2(O[5]C[5])2(Cl){3|C<3>}	N[4](Si[4,5]N[4]O[5]2Cl)(C[4]C[6a]N[4])(CC3){1|C<4>,4|C<3>}	Cl(Si[4,5]N[4]2O[5]2)	102.1766	12.864	2	102.1766	165.487	2	102.1766	165.487	2	102.1766	165.487	2	102.1766	165.487	2	113.9441	687.634	60
722	74	790	0:SPD5_SP-NON_SP2	Si[4]	N[4]	Cl	3:3:1:1:1:	3:5:3:	5:	N[4]-3:N[4]-3:Cl-1:Cl-1:Cl-1:	C[4]-3:Si[4]-5:C[6a]-3:	Si[4]-5:	Si[4](N[4]C[6a]C[4])(N[4]C[4]C)(Cl)3	N[4](C[4]C[6a]N[4])(Si[4]N[4]Cl3)(C[6a]C[6a]2)	Cl(Si[4]N[4]2Cl2)	Si[4](N[4]C[6a]C[4])(N[4]C[4]C)(Cl)3{3|C<3>}	N[4](C[4]C[6a]N[4])(Si[4]N[4]Cl3)(C[6a]C[6a]2){3|C<4>,4|C<3>}	Cl(Si[4]N[4]2Cl2)	111.8750	13.750	3	111.8750	189.056	3	113.8239	519.020	9	113.8239	519.020	9	117.0133	783.800	48	113.9441	687.634	60
722	74	790	0:SPD5_SP-NON_SP2	Si[4]	N[4]	Cl	3:3:1:1:1:	3:5:3:	5:	N[4]-3:N[4]-3:Cl-1:Cl-1:Cl-1:	C[4]-3:Si[4]-5:C[6a]-3:	Si[4]-5:	Si[4](N[4]C[6a]C[4])2(Cl)3	N[4](C[4]C[6a]N[4])(Si[4]N[4]Cl3)(C[6a]C[6a]2)	Cl(Si[4]N[4]2Cl2)	Si[4](N[4]C[6a]C[4])2(Cl)3{5|C<3>}	N[4](C[4]C[6a]N[4])(Si[4]N[4]Cl3)(C[6a]C[6a]2){2|C<4>,5|C<3>}	Cl(Si[4]N[4]2Cl2)	114.7983	27.412	6	114.7983	751.392	6	113.8239	519.020	9	113.8239	519.020	9	117.0133	783.800	48	113.9441	687.634	60
722	74	790	0:SPD5_SP-NON_SP2	Si[4]	N[4]	Cl	3:3:1:1:1:	3:5:4:	5:	N[4]-3:N[4]-3:Cl-1:Cl-1:Cl-1:	C[4]-3:Si[4]-5:C-4:	Si[4]-5:	Si[4](N[4]C[4]C)2(Cl)3	N[4](C[4]C[6a]N[4])(Si[4]N[4]Cl3)(CC3)	Cl(Si[4]N[4]2Cl2)	Si[4](N[4]C[4]C)2(Cl)3{1|C<3>}	N[4](C[4]C[6a]N[4])(Si[4]N[4]Cl3)(CC3){1|C<4>,2|C<3>}	Cl(Si[4]N[4]2Cl2)	115.5886	29.291	6	115.5886	857.965	6	115.8409	980.993	9	115.8409	980.993	9	117.0133	783.800	48	113.9441	687.634	60
722	74	790	0:SPD5_SP-NON_SP2	Si[4]	N[4]	Cl	3:3:1:1:1:	3:5:4:	5:	N[4]-3:N[4]-3:Cl-1:Cl-1:Cl-1:	C[4]-3:Si[4]-5:C-4:	Si[4]-5:	Si[4](N[4]C[6a]C[4])(N[4]C[4]C)(Cl)3	N[4](C[4]C[6a]N[4])(Si[4]N[4]Cl3)(CC3)	Cl(Si[4]N[4]2Cl2)	Si[4](N[4]C[6a]C[4])(N[4]C[4]C)(Cl)3{3|C<3>}	N[4](C[4]C[6a]N[4])(Si[4]N[4]Cl3)(CC3){3|C<3>}	Cl(Si[4]N[4]2Cl2)	116.3455	42.172	3	116.3455	1778.485	3	115.8409	980.993	9	115.8409	980.993	9	117.0133	783.800	48	113.9441	687.634	60
722	74	790	0:SPD5_SP-NON_SP2	Si[4]	N[4]	Cl	3:3:1:1:1:	5:3:3:	5:	N[4]-3:N[4]-3:Cl-1:Cl-1:H-1:	Si[4]-5:C[4]-3:C[6a]-3:	Si[4]-5:	Si[4](N[4]C[6a]C[4])(N[4]C[4]C)(Cl)2(H)	N[4](Si[4]N[4]Cl2H)(C[4]C[6a]N[4])(C[6a]C[6a]2)	Cl(Si[4]N[4]2ClH)	Si[4](N[4]C[6a]C[4])(N[4]C[4]C)(Cl)2(H){3|C<3>}	N[4](Si[4]N[4]Cl2H)(C[4]C[6a]N[4])(C[6a]C[6a]2){3|C<4>,4|C<3>}	Cl(Si[4]N[4]2ClH)	107.4300	12.655	4	107.4300	160.147	4	107.4300	160.147	4	108.1593	195.849	6	117.0133	783.800	48	113.9441	687.634	60
722	74	790	0:SPD5_SP-NON_SP2	Si[4]	N[4]	Cl	3:3:1:1:1:	5:3:3:	5:	N[4]-3:N[4]-3:Cl-1:Cl-1:H-1:	Si[4]-5:C[6a]-3:C[4]-3:	Si[4]-5:	Si[4](N[4]C[6a]C[4])(N[4]C[4]C)(Cl)2(H)	N[4](Si[4]N[4]Cl2H)(C[6a]C[6a]2)(C[4]N[4]N)	Cl(Si[4]N[4]2ClH)	Si[4](N[4]C[6a]C[4])(N[4]C[4]C)(Cl)2(H){1|N<3>,2|C<3>}	N[4](Si[4]N[4]Cl2H)(C[6a]C[6a]2)(C[4]N[4]N){2|C<3>,3|C<4>}	Cl(Si[4]N[4]2ClH)	109.6179	22.191	2	109.6179	492.424	2	109.6179	492.424	2	108.1593	195.849	6	117.0133	783.800	48	113.9441	687.634	60
722	74	790	0:SPD5_SP-NON_SP2	Si[4]	N[4]	Cl	3:3:1:1:1:	5:3:4:	5:	N[4]-3:N[4]-3:Cl-1:Cl-1:H-1:	Si[4]-5:C[4]-3:C-4:	Si[4]-5:	Si[4](N[4]C[3x6]C[4])(N[4]C[4]C)(Cl)2(H)	N[4](Si[4]N[4]Cl2H)(C[4]C[6a]N[4])(CC3)	Cl(Si[4]N[4]2ClH)	Si[4](N[4]C[3x6]C[4])(N[4]C[4]C)(Cl)2(H){1|C<3>,3|C<4>}	N[4](Si[4]N[4]Cl2H)(C[4]C[6a]N[4])(CC3){1|C<4>,2|C<3>}	Cl(Si[4]N[4]2ClH)	109.0485	12.014	2	109.0485	144.347	2	124.1166	1187.355	8	124.1166	1187.355	8	117.0133	783.800	48	113.9441	687.634	60
722	74	790	0:SPD5_SP-NON_SP2	Si[4]	N[4]	Cl	3:3:1:1:1:	5:3:4:	5:	N[4]-3:N[4]-3:Cl-1:Cl-1:H-1:	Si[4]-5:C[4]-3:C-4:	Si[4]-5:	Si[4](N[4]C[6a]C[4])(N[4]C[4]C)(Cl)2(H)	N[4](Si[4]N[4]Cl2H)(C[4]C[6a]N[4])(CC3)	Cl(Si[4]N[4]2ClH)	Si[4](N[4]C[6a]C[4])(N[4]C[4]C)(Cl)2(H){3|C<3>}	N[4](Si[4]N[4]Cl2H)(C[4]C[6a]N[4])(CC3){3|C<3>}	Cl(Si[4]N[4]2ClH)	129.2812	40.900	4	129.2812	1672.798	4	124.1166	1187.355	8	124.1166	1187.355	8	117.0133	783.800	48	113.9441	687.634	60
722	74	790	0:SPD5_SP-NON_SP2	Si[4]	N[4]	Cl	3:3:1:1:1:	5:3:4:	5:	N[4]-3:N[4]-3:Cl-1:Cl-1:H-1:	Si[4]-5:C[4]-3:C-4:	Si[4]-5:	Si[4](N[4]C[6a]C[4])(N[4]C[4]C)(Cl)2(H)	N[4](Si[4]N[4]Cl2H)(C[4]N[4]N)(CC3)	Cl(Si[4]N[4]2ClH)	Si[4](N[4]C[6a]C[4])(N[4]C[4]C)(Cl)2(H){1|N<3>,2|C<3>}	N[4](Si[4]N[4]Cl2H)(C[4]N[4]N)(CC3){1|C<3>}	Cl(Si[4]N[4]2ClH)	128.8556	50.429	2	128.8556	2543.036	2	124.1166	1187.355	8	124.1166	1187.355	8	117.0133	783.800	48	113.9441	687.634	60
722	74	790	0:SPD5_SP-NON_SP2	Si[4]	N[4]	Cl	3:3:1:1:1:	5:4:3:	5:	N[4]-3:N[4]-3:Cl-1:Cl-1:H-1:	Si[4]-5:C[3x6]-4:C[4]-3:	Si[4]-5:	Si[4](N[4]C[3x6]C[4])(N[4]C[4]C)(Cl)2(H)	N[4](Si[4]N[4]Cl2H)(C[3x6]C[6,6]3)(C[4]C[6a]N[4])	Cl(Si[4]N[4]2ClH)	Si[4](N[4]C[3x6]C[4])(N[4]C[4]C)(Cl)2(H){1|C<3>,3|C<4>}	N[4](Si[4]N[4]Cl2H)(C[3x6]C[6,6]3)(C[4]C[6a]N[4]){2|C<3>,4|C<4>,6|H<1>}	Cl(Si[4]N[4]2ClH)	131.9553	52.434	2	131.9553	2749.363	2	131.9553	2749.363	2	131.9553	2749.363	2	117.0133	783.800	48	113.9441	687.634	60
722	74	790	0:SPD5_SP-NON_SP2	Si[4]	N[4]	Cl	3:3:3:1:1:	5:3:4:	5:	N[4]-3:N[4]-3:N-3:Cl-1:F-1:	Si[4]-5:C[4]-3:C-4:	Si[4]-5:	Si[4](N[4]C[4]C)2(NC[6a]C)(Cl)(F)	N[4](Si[4]N[4]ClFN)(C[4]C[6a]N[4])(CC3)	Cl(Si[4]N[4]2FN)	Si[4](N[4]C[4]C)2(NC[6a]C)(Cl)(F){1|C<3>}	N[4](Si[4]N[4]ClFN)(C[4]C[6a]N[4])(CC3){1|C<4>,2|C<3>}	Cl(Si[4]N[4]2FN)	104.7392	15.412	4	104.7392	237.516	4	104.7392	237.516	4	115.2518	886.139	6	117.0133	783.800	48	113.9441	687.634	60
722	74	790	0:SPD5_SP-NON_SP2	Si[4]	N[4]	Cl	3:3:3:1:1:	5:3:4:	5:	N[4]-3:N[4]-3:N-3:Cl-1:H-1:	Si[4]-5:C[4]-3:C-4:	Si[4]-5:	Si[4](N[4]C[4]C)2(NHN)(Cl)(H)	N[4](Si[4]N[4]ClHN)(C[4]C[6a]N[4])(CC3)	Cl(Si[4]N[4]2HN)	Si[4](N[4]C[4]C)2(NHN)(Cl)(H){1|C<3>}	N[4](Si[4]N[4]ClHN)(C[4]C[6a]N[4])(CC3){1|C<4>,2|C<3>}	Cl(Si[4]N[4]2HN)	136.2770	48.908	2	136.2770	2391.968	2	136.2770	2391.968	2	115.2518	886.139	6	117.0133	783.800	48	113.9441	687.634	60
722	74	790	0:SPD5_SP-NON_SP2	Si[4]	N[4]	Cl	3:3:4:1:1:	5:3:4:	5:	N[4]-3:N[4]-3:C-4:Cl-1:Cl-1:	Si[4]-5:C[4]-3:C-4:	Si[4]-5:	Si[4](N[4]C[4]C)2(CSi[4]HH)(Cl)2	N[4](Si[4]N[4]Cl2C)(C[4]C[6a]N[4])(CC3)	Cl(Si[4]N[4]2ClC)	Si[4](N[4]C[4]C)2(CSi[4]HH)(Cl)2{1|C<3>}	N[4](Si[4]N[4]Cl2C)(C[4]C[6a]N[4])(CC3){1|C<4>,2|C<3>}	Cl(Si[4]N[4]2ClC)	119.0430	31.377	8	119.0430	984.525	8	119.0430	984.525	8	119.0430	984.525	8	117.0133	783.800	48	113.9441	687.634	60
722	74	813	0:SPD5_SP2_SP2	Si[4,4]	N[4,5]	N[5a]	5:3:3:3:1:	5:3:3:	5:3:2:	Si[4,4]-5:N[4,5]-3:N[4,5]-3:N[5a]-3:Cl-1:	Si[4,4]-5:N[4,5]-3:C[5]-3:	Si[4,4]-5:C[5a]-3:N[5a]-2:	Si[4,4](Si[4,4]N[4,5]2N[5a]Cl)(N[4,5]N[4,5]C[5])2(N[5a]C[5a]N[5a])(Cl)	N[4,5](Si[4,4]Si[4,4]N[4,5]N[5a]Cl)(N[4,5]Si[4,4]C[5])(C[5]C[5]C)	N[5a](Si[4,4]Si[4,4]N[4,5]2Cl)(C[5a]C[5a]C)(N[5a]C[5a])	Si[4,4](Si[4,4]N[4,5]2N[5a]Cl)(N[4,5]N[4,5]C[5])2(N[5a]C[5a]N[5a])(Cl){1|N<2>,3|C<4>,7|C<3>}	N[4,5](Si[4,4]Si[4,4]N[4,5]N[5a]Cl)(N[4,5]Si[4,4]C[5])(C[5]C[5]C){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,2|C<3>,2|N<3>}	N[5a](Si[4,4]Si[4,4]N[4,5]2Cl)(C[5a]C[5a]C)(N[5a]C[5a]){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>,3|N<3>}	98.5641	1.656	4	98.5641	2.744	4	98.5641	2.744	4	98.5641	2.744	4	98.4356	3.526	12	98.4356	3.526	12
722	74	813	0:SPD5_SP2_SP2	Si[4,4]	N[4,5]	N[5a]	5:3:3:3:3:	5:3:3:	5:3:2:	Si[4,4]-5:N[4,5]-3:N[4,5]-3:N[5a]-3:N[5a]-3:	Si[4,4]-5:N[4,5]-3:C[5]-3:	Si[4,4]-5:C[5a]-3:N[5a]-2:	Si[4,4](Si[4,4]N[4,5]2N[5a]2)(N[4,5]N[4,5]C[5])2(N[5a]C[5a]N[5a])2	N[4,5](Si[4,4]Si[4,4]N[4,5]N[5a]2)(N[4,5]Si[4,4]C[5])(C[5]C[5]C)	N[5a](Si[4,4]Si[4,4]N[4,5]2N[5a])(C[5a]C[5a]C)(N[5a]C[5a])	Si[4,4](Si[4,4]N[4,5]2N[5a]2)(N[4,5]N[4,5]C[5])2(N[5a]C[5a]N[5a])2{10|C<3>,2|N<2>,4|C<4>}	N[4,5](Si[4,4]Si[4,4]N[4,5]N[5a]2)(N[4,5]Si[4,4]C[5])(C[5]C[5]C){1|C<4>,1|H<1>,2|N<2>,3|C<3>,3|N<3>}	N[5a](Si[4,4]Si[4,4]N[4,5]2N[5a])(C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>,4|N<3>}	98.3714	2.086	8	98.3714	4.350	8	98.3714	4.350	8	98.3714	4.350	8	98.4356	3.526	12	98.4356	3.526	12
722	74	830	0:SPD5_SP-NON_SP2	Si[4,6]	N[4,6]	F	3:3:3:1:1:	5:5:3:	5:	N[4,6]-3:N[4,6]-3:N[6]-3:F-1:F-1:	Si[4,6]-5:Si[4,6]-5:C[6]-3:	Si[4,6]-5:	Si[4,6](N[4,6]Si[4,6]C[6])2(N[6]C[6a]C[6])(F)2	N[4,6](Si[4,6]N[4,6]N[6]FF)2(C[6]N[6]N)	F(Si[4,6]N[4,6]2N[6]F)	Si[4,6](N[4,6]Si[4,6]C[6])2(N[6]C[6a]C[6])(F)2{2|C<3>,2|F<1>,2|N<2>,4|N<3>}	N[4,6](Si[4,6]N[4,6]N[6]FF)2(C[6]N[6]N){5|C<3>}	F(Si[4,6]N[4,6]2N[6]F)	119.7645	35.592	4	119.7645	1266.785	4	119.7645	1266.785	4	119.7645	1266.785	4	119.7645	1266.785	4	120.6834	1009.545	22
722	74	830	0:SPD5_SP-NON_SP2	Si[4]	N[4]	F	3:3:1:1:1:	3:5:4:	5:	N[4]-3:N[4]-3:F-1:F-1:F-1:	C[4]-3:Si[4]-5:C-4:	Si[4]-5:	Si[4](N[4]C[4]C)2(F)3	N[4](C[4]C[6a]N[4])(Si[4]N[4]F3)(CC3)	F(Si[4]N[4]2FF)	Si[4](N[4]C[4]C)2(F)3{1|C<3>}	N[4](C[4]C[6a]N[4])(Si[4]N[4]F3)(CC3){1|C<4>,2|C<3>}	F(Si[4]N[4]2FF)	115.4815	28.778	6	115.4815	828.151	6	115.4815	828.151	6	115.4815	828.151	6	120.8876	1023.292	18	120.6834	1009.545	22
722	74	830	0:SPD5_SP-NON_SP2	Si[4]	N[4]	F	3:3:2:1:1:	3:5:4:	5:	N[4]-3:N[4]-3:O-2:F-1:F-1:	C[4]-3:Si[4]-5:C-4:	Si[4]-5:	Si[4](N[4]C[4]C)2(OC[6a])(F)2	N[4](C[4]C[6a]N[4])(Si[4]N[4]FFO)(CCCH)	F(Si[4]N[4]2FO)	Si[4](N[4]C[4]C)2(OC[6a])(F)2{1|C<3>}	N[4](C[4]C[6a]N[4])(Si[4]N[4]FFO)(CCCH){1|C<4>,2|C<3>}	F(Si[4]N[4]2FO)	112.4483	32.646	4	112.4483	1065.782	4	112.4483	1065.782	4	112.4483	1065.782	4	120.8876	1023.292	18	120.6834	1009.545	22
722	74	830	0:SPD5_SP-NON_SP2	Si[4]	N[4]	F	3:3:3:1:1:	5:3:4:	5:	N[4]-3:N[4]-3:N-3:Cl-1:F-1:	Si[4]-5:C[4]-3:C-4:	Si[4]-5:	Si[4](N[4]C[4]C)2(NC[6a]C)(Cl)(F)	N[4](Si[4]N[4]ClFN)(C[4]C[6a]N[4])(CC3)	F(Si[4]N[4]2ClN)	Si[4](N[4]C[4]C)2(NC[6a]C)(Cl)(F){1|C<3>}	N[4](Si[4]N[4]ClFN)(C[4]C[6a]N[4])(CC3){1|C<4>,2|C<3>}	F(Si[4]N[4]2ClN)	131.0767	39.776	4	131.0767	1582.160	4	131.0767	1582.160	4	131.0767	1582.160	4	120.8876	1023.292	18	120.6834	1009.545	22
722	74	830	0:SPD5_SP-NON_SP2	Si[4]	N[4]	F	3:3:3:2:1:	3:5:4:	5:	N[4]-3:N[4]-3:N-3:O-2:F-1:	C[4]-3:Si[4]-5:C-4:	Si[4]-5:	Si[4](N[4]C[4]C)2(NSi2)(OC)(F)	N[4](C[4]C[6a]N[4])(Si[4]N[4]FNO)(CC3)	F(Si[4]N[4]2NO)	Si[4](N[4]C[4]C)2(NSi2)(OC)(F){1|C<3>}	N[4](C[4]C[6a]N[4])(Si[4]N[4]FNO)(CC3){1|C<4>,2|C<3>}	F(Si[4]N[4]2NO)	124.7194	44.492	2	124.7194	1979.532	2	124.7194	1979.532	2	124.7194	1979.532	2	120.8876	1023.292	18	120.6834	1009.545	22
722	74	830	0:SPD5_SP-NON_SP2	Si[4]	N[4]	F	3:3:3:3:1:	5:3:4:	5:	C[6a]-3:N[4]-3:N[4]-3:N-3:F-1:	Si[4]-5:C[4]-3:C-4:	Si[4]-5:	Si[4](C[6a]C[6a]2)(N[4]C[4]C)2(NCC)(F)	N[4](Si[4]C[6a]N[4]FN)(C[4]C[6a]N[4])(CC3)	F(Si[4]C[6a]N[4]2N)	Si[4](C[6a]C[6a]2)(N[4]C[4]C)2(NCC)(F){2|F<1>,3|C<3>}	N[4](Si[4]C[6a]N[4]FN)(C[4]C[6a]N[4])(CC3){1|C<4>,4|C<3>}	F(Si[4]C[6a]N[4]2N)	129.7746	47.634	2	129.7746	2269.008	2	129.7746	2269.008	2	129.7746	2269.008	2	120.8876	1023.292	18	120.6834	1009.545	22
722	74	846	0:SPD5_SP2_SP2	Si[4,4,5]	N[4]	C[4,5]	6:3:2:3:3:	5:3:4:	5:3:5:	C[5x3,6x5,20x6]-6:C[4,5]-3:O[4]-2:N[4]-3:N[4]-3:	Si[4,4,5]-5:C[4]-3:C-4:	Si[4,4,5]-5:C[5]-3:Si[4,4]-5:	Si[4,4,5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[4,5]Si[4,4]C[5])(O[4]Si[4,4])(N[4]C[4]C)2	N[4](Si[4,4,5]C[5x3,6x5,20x6]C[4,5]N[4]O[4])(C[4]C[6a]N[4])(CC3)	C[4,5](Si[4,4,5]C[5x3,6x5,20x6]N[4]2O[4])(C[5]C[5x3,6x5,20x6]O)(Si[4,4]N[4]2O[4]O)	Si[4,4,5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[4,5]Si[4,4]C[5])(O[4]Si[4,4])(N[4]C[4]C)2{1|C<3>,2|N<3>,2|O<2>,4|H<1>,5|B<6>}	N[4](Si[4,4,5]C[5x3,6x5,20x6]C[4,5]N[4]O[4])(C[4]C[6a]N[4])(CC3){1|Si<5>,1|C<4>,1|C<6>,3|C<3>,4|B<6>}	C[4,5](Si[4,4,5]C[5x3,6x5,20x6]N[4]2O[4])(C[5]C[5x3,6x5,20x6]O)(Si[4,4]N[4]2O[4]O){2|C<3>,4|C<4>,6|B<6>}	144.8392	17.013	4	144.8392	289.446	4	144.8392	289.446	4	144.8392	289.446	4	144.8392	289.446	4	135.8206	813.763	14
722	74	846	0:SPD5_SP2_SP2	Si[4,4,6,6]	N[4]	C[4,6,6]	5:3:3:3:3:	5:3:4:	5:4:3:	C[3x3,4,3x5,16x6]-5:C[4,6,6]-3:C[4]-3:N[4]-3:N[4]-3:	Si[4,4,6,6]-5:C[4]-3:C-4:	Si[4,4,6,6]-5:Si[4,6,6]-4:N[4]-3:	Si[4,4,6,6](C[3x3,4,3x5,16x6]B[4x3,4,5x5,22x6]2B[5x3,4x5,17x6]2)(C[4,6,6]Si[4,6,6]N[4])(C[4]N[4]N)(N[4]C[4]C)2	N[4](Si[4,4,6,6]C[3x3,4,3x5,16x6]C[4,6,6]C[4]N[4])(C[4]C[6a]N[4])(CC3)	C[4,6,6](Si[4,4,6,6]C[3x3,4,3x5,16x6]C[4]N[4]2)(Si[4,6,6]C[3x3,4,3x5,16x6]N[4]2)(N[4]C[6a]C[4])	Si[4,4,6,6](C[3x3,4,3x5,16x6]B[4x3,4,5x5,22x6]2B[5x3,4x5,17x6]2)(C[4,6,6]Si[4,6,6]N[4])(C[4]N[4]N)(N[4]C[4]C)2{1|C<5>,2|C<3>,2|N<3>,4|H<1>,5|B<6>}	N[4](Si[4,4,6,6]C[3x3,4,3x5,16x6]C[4,6,6]C[4]N[4])(C[4]C[6a]N[4])(CC3){1|Si<4>,1|C<4>,1|N<2>,1|N<3>,2|C<3>,4|B<6>}	C[4,6,6](Si[4,4,6,6]C[3x3,4,3x5,16x6]C[4]N[4]2)(Si[4,6,6]C[3x3,4,3x5,16x6]N[4]2)(N[4]C[6a]C[4]){1|N<2>,4|C<3>,4|C<4>,6|B<6>}	143.1885	3.546	2	143.1885	12.575	2	143.1885	12.575	2	143.1885	12.575	2	143.1885	12.575	2	135.8206	813.763	14
722	74	846	0:SPD5_SP2_SP2	Si[4,4,6,6]	N[4]	C[4]	5:3:3:3:3:	5:3:4:	5:3:2:	C[3x3,4,3x5,16x6]-5:C[4,6,6]-3:C[4]-3:N[4]-3:N[4]-3:	Si[4,4,6,6]-5:C[4]-3:C-4:	Si[4,4,6,6]-5:N[4]-3:N-2:	Si[4,4,6,6](C[3x3,4,3x5,16x6]B[4x3,4,5x5,22x6]2B[5x3,4x5,17x6]2)(C[4,6,6]Si[4,6,6]N[4])(C[4]N[4]N)(N[4]C[4]C)2	N[4](Si[4,4,6,6]C[3x3,4,3x5,16x6]C[4,6,6]C[4]N[4])(C[4]C[6a]N[4])(CC3)	C[4](Si[4,4,6,6]C[3x3,4,3x5,16x6]C[4,6,6]N[4]2)(N[4]C[4,6,6]C[6a])(NC[6a])	Si[4,4,6,6](C[3x3,4,3x5,16x6]B[4x3,4,5x5,22x6]2B[5x3,4x5,17x6]2)(C[4,6,6]Si[4,6,6]N[4])(C[4]N[4]N)(N[4]C[4]C)2{1|C<5>,2|C<3>,2|N<3>,4|H<1>,5|B<6>}	N[4](Si[4,4,6,6]C[3x3,4,3x5,16x6]C[4,6,6]C[4]N[4])(C[4]C[6a]N[4])(CC3){1|Si<4>,1|C<4>,1|N<2>,1|N<3>,2|C<3>,4|B<6>}	C[4](Si[4,4,6,6]C[3x3,4,3x5,16x6]C[4,6,6]N[4]2)(N[4]C[4,6,6]C[6a])(NC[6a]){1|Si<4>,2|C<4>,3|C<3>,4|B<6>}	97.3560	1.328	2	97.3560	1.764	2	97.3560	1.764	2	97.3560	1.764	2	97.3560	1.764	2	135.8206	813.763	14
722	74	846	0:SPD5_SP2_SP2	Si[4,4]	N[4]	C[4,5]	3:2:3:3:2:	5:3:4:	5:3:5:	C[4,5]-3:O[4]-2:N[4]-3:N[4]-3:O-2:	Si[4,4]-5:C[4]-3:C-4:	Si[4,4,5]-5:C[5]-3:Si[4,4]-5:	Si[4,4](C[4,5]Si[4,4,5]C[5])(O[4]Si[4,4,5])(N[4]C[4]C)2(OC[5])	N[4](Si[4,4]C[4,5]N[4]O[4]O)(C[4]C[6a]N[4])(CC3)	C[4,5](Si[4,4,5]C[5x3,6x5,20x6]N[4]2O[4])(C[5]C[5x3,6x5,20x6]O)(Si[4,4]N[4]2O[4]O)	Si[4,4](C[4,5]Si[4,4,5]C[5])(O[4]Si[4,4,5])(N[4]C[4]C)2(OC[5]){1|C<3>,1|O<2>,2|C<6>,2|N<3>}	N[4](Si[4,4]C[4,5]N[4]O[4]O)(C[4]C[6a]N[4])(CC3){1|Si<5>,1|C<4>,3|C<3>}	C[4,5](Si[4,4,5]C[5x3,6x5,20x6]N[4]2O[4])(C[5]C[5x3,6x5,20x6]O)(Si[4,4]N[4]2O[4]O){2|C<3>,4|C<4>,6|B<6>}	139.6895	36.649	4	139.6895	1343.164	4	139.6895	1343.164	4	139.6895	1343.164	4	139.6895	1343.164	4	135.8206	813.763	14
722	74	846	0:SPD5_SP2_SP2	Si[4,4]	N[4]	C[4]	3:4:3:3:1:	5:3:4:	5:3:3:	C[4]-3:Si[4]-4:N[4]-3:N[4]-3:Cl-1:	Si[4,4]-5:C[4]-3:C-4:	Si[4,4]-5:C[4]-3:C[6a]-3:	Si[4,4](C[4]C[6a]C[4])(Si[4]C[4]ClN)(N[4]C[4]C)2(Cl)	N[4](Si[4,4]Si[4]C[4]N[4]Cl)(C[4]C[6a]N[4])(CC3)	C[4](Si[4,4]Si[4]N[4]2Cl)(C[4]C[6a]Si[4])(C[6a]C[6a]2)	Si[4,4](C[4]C[6a]C[4])(Si[4]C[4]ClN)(N[4]C[4]C)2(Cl){4|C<3>}	N[4](Si[4,4]Si[4]C[4]N[4]Cl)(C[4]C[6a]N[4])(CC3){1|Cl<1>,1|C<4>,1|N<3>,4|C<3>}	C[4](Si[4,4]Si[4]N[4]2Cl)(C[4]C[6a]Si[4])(C[6a]C[6a]2){1|Cl<1>,1|N<3>,2|C<4>,2|H<1>,5|C<3>}	141.1425	46.446	2	141.1425	2157.260	2	141.1425	2157.260	2	141.1425	2157.260	2	141.1425	2157.260	2	135.8206	813.763	14
722	74	856	0:SPD5_SP2_SP2	Si[4]	N[4,6]	N[6]	3:3:2:3:2:	5:3:3:	5:3:3:	N[4,6]-3:C[6a]-3:S[4]-2:N[6]-3:N-2:	Si[4]-5:C[4,6]-3:C[6]-3:	Si[4]-5:C[6]-3:C[6]-3:	Si[4](N[4,6]C[4,6]C[6])(C[6a]C[6a]2)(S[4]C[4,6])(N[6]C[6]2)(NC)	N[4,6](Si[4]C[6a]N[6]S[4]N)(C[4,6]C[6]S[4])(C[6]C[6]H)	N[6](Si[4]N[4,6]C[6a]S[4]N)(C[6]C[6]H)(C[6]C[6]S)	Si[4](N[4,6]C[4,6]C[6])(C[6a]C[6a]2)(S[4]C[4,6])(N[6]C[6]2)(NC){1|S<1>,4|H<1>,6|C<3>}	N[4,6](Si[4]C[6a]N[6]S[4]N)(C[4,6]C[6]S[4])(C[6]C[6]H){2|H<1>,5|C<3>}	N[6](Si[4]N[4,6]C[6a]S[4]N)(C[6]C[6]H)(C[6]C[6]S){2|H<1>,5|C<3>}	92.7654	0.220	2	92.7654	0.048	2	92.9709	0.151	3	92.9709	0.151	3	92.9709	0.151	3	92.9709	0.151	3
722	74	856	0:SPD5_SP2_SP2	Si[4]	N[4,6]	N[6]	3:3:2:3:2:	5:3:3:	5:3:3:	N[4,6]-3:C[6a]-3:S[4]-2:N[6]-3:N-2:	Si[4]-5:C[4,6]-3:C[6]-3:	Si[4]-5:C[6]-3:C[6]-3:	Si[4](N[4,6]C[4,6]C[6])(C[6a]C[6a]2)(S[4]C[4,6])(N[6]C[6]2)(NN)	N[4,6](Si[4]C[6a]N[6]S[4]N)(C[4,6]C[6]S[4])(C[6]C[6]H)	N[6](Si[4]N[4,6]C[6a]S[4]N)(C[6]C[6]H)(C[6]C[6]S)	Si[4](N[4,6]C[4,6]C[6])(C[6a]C[6a]2)(S[4]C[4,6])(N[6]C[6]2)(NN){1|S<1>,4|H<1>,6|C<3>}	N[4,6](Si[4]C[6a]N[6]S[4]N)(C[4,6]C[6]S[4])(C[6]C[6]H){2|H<1>,5|C<3>}	N[6](Si[4]N[4,6]C[6a]S[4]N)(C[6]C[6]H)(C[6]C[6]S){2|H<1>,5|C<3>}	93.3818	0.000	1	93.3818	0.000	1	92.9709	0.151	3	92.9709	0.151	3	92.9709	0.151	3	92.9709	0.151	3
722	74	856	6:SPD5_SP2_SP2	Si[4,6]	N[4,6]	N[6]	3:3:3:1:1:	5:5:3:	5:3:3:	N[4,6]-3:N[4,6]-3:N[6]-3:F-1:F-1:	Si[4,6]-5:Si[4,6]-5:C[6]-3:	Si[4,6]-5:C[6a]-3:C[6]-3:	Si[4,6](N[4,6]Si[4,6]C[6])2(N[6]C[6a]C[6])(F)2	N[4,6](Si[4,6]N[4,6]N[6]FF)2(C[6]N[6]N)	N[6](Si[4,6]N[4,6]2FF)(C[6a]C[6a]2)(C[6]N[6]N)	Si[4,6](N[4,6]Si[4,6]C[6])2(N[6]C[6a]C[6])(F)2{2|C<3>,2|F<1>,2|N<2>,4|N<3>}	N[4,6](Si[4,6]N[4,6]N[6]FF)2(C[6]N[6]N){5|C<3>}	N[6](Si[4,6]N[4,6]2FF)(C[6a]C[6a]2)(C[6]N[6]N){1|Si<5>,2|C<4>,4|C<3>}	111.2421	28.286	2	111.2421	800.076	2	111.2421	800.076	2	111.2421	800.076	2	111.2421	800.076	2	111.2421	800.076	2
722	74	866	4:SPD5_SP2_SP2	Si[4,4]	N[4,6]	S[4]	3:3:3:2:2:	5:3:3:	5:3:	N[4,6]-3:N[4,6]-3:C[6a]-3:S[4]-2:S[4]-2:	Si[4,4]-5:C[4,6]-3:C[6]-3:	Si[4,4]-5:C[4,6]-3:	Si[4,4](N[4,6]C[4,6]C[6])2(C[6a]C[6a]2)(S[4]C[4,6])2	N[4,6](Si[4,4]N[4,6]C[6a]S[4]2)(C[4,6]C[6]S[4])(C[6]C[6]H)	S[4](Si[4,4]N[4,6]2C[6a]S[4])(C[4,6]N[4,6]C[6])	Si[4,4](N[4,6]C[4,6]C[6])2(C[6a]C[6a]2)(S[4]C[4,6])2{4|H<1>,6|C<3>}	N[4,6](Si[4,4]N[4,6]C[6a]S[4]2)(C[4,6]C[6]S[4])(C[6]C[6]H){2|H<1>,5|C<3>}	S[4](Si[4,4]N[4,6]2C[6a]S[4])(C[4,6]N[4,6]C[6]){1|H<1>,6|C<3>}	84.7561	14.218	2	84.7561	202.146	2	84.7561	202.146	2	84.7561	202.146	2	84.7561	202.146	2	77.0910	99.501	5
722	74	866	4:SPD5_SP2_SP2	Si[4]	N[4,6]	S[4]	3:3:2:3:2:	5:3:3:	5:3:	N[4,6]-3:C[6a]-3:S[4]-2:N[6]-3:N-2:	Si[4]-5:C[4,6]-3:C[6]-3:	Si[4]-5:C[4,6]-3:	Si[4](N[4,6]C[4,6]C[6])(C[6a]C[6a]2)(S[4]C[4,6])(N[6]C[6]2)(NC)	N[4,6](Si[4]C[6a]N[6]S[4]N)(C[4,6]C[6]S[4])(C[6]C[6]H)	S[4](Si[4]N[4,6]C[6a]N[6]N)(C[4,6]N[4,6]C[6])	Si[4](N[4,6]C[4,6]C[6])(C[6a]C[6a]2)(S[4]C[4,6])(N[6]C[6]2)(NC){1|S<1>,4|H<1>,6|C<3>}	N[4,6](Si[4]C[6a]N[6]S[4]N)(C[4,6]C[6]S[4])(C[6]C[6]H){2|H<1>,5|C<3>}	S[4](Si[4]N[4,6]C[6a]N[6]N)(C[4,6]N[4,6]C[6]){1|H<1>,6|C<3>}	71.9806	0.109	2	71.9806	0.012	2	71.9810	0.006	3	71.9810	0.006	3	71.9810	0.006	3	77.0910	99.501	5
722	74	866	4:SPD5_SP2_SP2	Si[4]	N[4,6]	S[4]	3:3:2:3:2:	5:3:3:	5:3:	N[4,6]-3:C[6a]-3:S[4]-2:N[6]-3:N-2:	Si[4]-5:C[4,6]-3:C[6]-3:	Si[4]-5:C[4,6]-3:	Si[4](N[4,6]C[4,6]C[6])(C[6a]C[6a]2)(S[4]C[4,6])(N[6]C[6]2)(NN)	N[4,6](Si[4]C[6a]N[6]S[4]N)(C[4,6]C[6]S[4])(C[6]C[6]H)	S[4](Si[4]N[4,6]C[6a]N[6]N)(C[4,6]N[4,6]C[6])	Si[4](N[4,6]C[4,6]C[6])(C[6a]C[6a]2)(S[4]C[4,6])(N[6]C[6]2)(NN){1|S<1>,4|H<1>,6|C<3>}	N[4,6](Si[4]C[6a]N[6]S[4]N)(C[4,6]C[6]S[4])(C[6]C[6]H){2|H<1>,5|C<3>}	S[4](Si[4]N[4,6]C[6a]N[6]N)(C[4,6]N[4,6]C[6]){1|H<1>,6|C<3>}	71.9817	0.000	1	71.9817	0.000	1	71.9810	0.006	3	71.9810	0.006	3	71.9810	0.006	3	77.0910	99.501	5
722	74	893	0:SPD5_SP2_SP2	Si[4,4]	N[4]	O	3:2:3:3:2:	5:3:4:	3:5:	C[4,5]-3:O[4]-2:N[4]-3:N[4]-3:O-2:	Si[4,4]-5:C[4]-3:C-4:	C[5]-3:Si[4,4]-5:	Si[4,4](C[4,5]Si[4,4,5]C[5])(O[4]Si[4,4,5])(N[4]C[4]C)2(OC[5])	N[4](Si[4,4]C[4,5]N[4]O[4]O)(C[4]C[6a]N[4])(CC3)	O(C[5]C[5x3,6x5,20x6]C[4,5])(Si[4,4]C[4,5]N[4]2O[4])	Si[4,4](C[4,5]Si[4,4,5]C[5])(O[4]Si[4,4,5])(N[4]C[4]C)2(OC[5]){1|C<3>,1|O<2>,2|C<6>,2|N<3>}	N[4](Si[4,4]C[4,5]N[4]O[4]O)(C[4]C[6a]N[4])(CC3){1|Si<5>,1|C<4>,3|C<3>}	O(C[5]C[5x3,6x5,20x6]C[4,5])(Si[4,4]C[4,5]N[4]2O[4])	103.7722	18.954	4	103.7722	359.239	4	103.7722	359.239	4	103.7722	359.239	4	103.7722	359.239	4	111.4278	753.242	8
722	74	893	0:SPD5_SP2_SP2	Si[4]	N[4]	O	3:3:2:1:1:	3:5:4:	3:5:	N[4]-3:N[4]-3:O-2:F-1:F-1:	C[4]-3:Si[4]-5:C-4:	C[6a]-3:Si[4]-5:	Si[4](N[4]C[4]C)2(OC[6a])(F)2	N[4](C[4]C[6a]N[4])(Si[4]N[4]FFO)(CCCH)	O(C[6a]C[6a,6a]C[6a])(Si[4]N[4]2FF)	Si[4](N[4]C[4]C)2(OC[6a])(F)2{1|C<3>}	N[4](C[4]C[6a]N[4])(Si[4]N[4]FFO)(CCCH){1|C<4>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(Si[4]N[4]2FF)	131.9111	48.130	2	131.9111	2316.470	2	131.9111	2316.470	2	131.9111	2316.470	2	119.0833	1242.039	4	111.4278	753.242	8
722	74	893	0:SPD5_SP2_SP2	Si[4]	N[4]	O	3:3:3:2:1:	3:5:4:	5:3:	N[4]-3:N[4]-3:N-3:O-2:F-1:	C[4]-3:Si[4]-5:C-4:	Si[4]-5:C-3:	Si[4](N[4]C[4]C)2(NSi2)(OC)(F)	N[4](C[4]C[6a]N[4])(Si[4]N[4]FNO)(CC3)	O(Si[4]N[4]2FN)(CC[6a]C)	Si[4](N[4]C[4]C)2(NSi2)(OC)(F){1|C<3>}	N[4](C[4]C[6a]N[4])(Si[4]N[4]FNO)(CC3){1|C<4>,2|C<3>}	O(Si[4]N[4]2FN)(CC[6a]C)	106.2555	27.412	2	106.2555	751.436	2	106.2555	751.436	2	106.2555	751.436	2	119.0833	1242.039	4	111.4278	753.242	8
722	74	941	0:SPD5_SP2_SP2	Si[4]	N[4,6]	N	3:3:2:3:2:	5:3:3:	5:2:	N[4,6]-3:C[6a]-3:S[4]-2:N[6]-3:N-2:	Si[4]-5:C[4,6]-3:C[6]-3:	Si[4]-5:C-2:	Si[4](N[4,6]C[4,6]C[6])(C[6a]C[6a]2)(S[4]C[4,6])(N[6]C[6]2)(NC)	N[4,6](Si[4]C[6a]N[6]S[4]N)(C[4,6]C[6]S[4])(C[6]C[6]H)	N(Si[4]N[4,6]C[6a]N[6]S[4])(CO)	Si[4](N[4,6]C[4,6]C[6])(C[6a]C[6a]2)(S[4]C[4,6])(N[6]C[6]2)(NC){1|S<1>,4|H<1>,6|C<3>}	N[4,6](Si[4]C[6a]N[6]S[4]N)(C[4,6]C[6]S[4])(C[6]C[6]H){2|H<1>,5|C<3>}	N(Si[4]N[4,6]C[6a]N[6]S[4])(CO)	87.6774	0.000	1	87.6774	0.000	1	86.8747	1.289	2	86.8715	0.644	3	86.8715	0.644	3	86.8715	0.644	3
722	74	941	0:SPD5_SP2_SP2	Si[4]	N[4,6]	N	3:3:2:3:2:	5:3:3:	5:2:	N[4,6]-3:C[6a]-3:S[4]-2:N[6]-3:N-2:	Si[4]-5:C[4,6]-3:C[6]-3:	Si[4]-5:C-2:	Si[4](N[4,6]C[4,6]C[6])(C[6a]C[6a]2)(S[4]C[4,6])(N[6]C[6]2)(NC)	N[4,6](Si[4]C[6a]N[6]S[4]N)(C[4,6]C[6]S[4])(C[6]C[6]H)	N(Si[4]N[4,6]C[6a]N[6]S[4])(CS)	Si[4](N[4,6]C[4,6]C[6])(C[6a]C[6a]2)(S[4]C[4,6])(N[6]C[6]2)(NC){1|S<1>,4|H<1>,6|C<3>}	N[4,6](Si[4]C[6a]N[6]S[4]N)(C[4,6]C[6]S[4])(C[6]C[6]H){2|H<1>,5|C<3>}	N(Si[4]N[4,6]C[6a]N[6]S[4])(CS)	86.0719	0.000	1	86.0719	0.000	1	86.8747	1.289	2	86.8715	0.644	3	86.8715	0.644	3	86.8715	0.644	3
722	74	941	0:SPD5_SP2_SP2	Si[4]	N[4,6]	N	3:3:2:3:2:	5:3:3:	5:2:	N[4,6]-3:C[6a]-3:S[4]-2:N[6]-3:N-2:	Si[4]-5:C[4,6]-3:C[6]-3:	Si[4]-5:N-2:	Si[4](N[4,6]C[4,6]C[6])(C[6a]C[6a]2)(S[4]C[4,6])(N[6]C[6]2)(NN)	N[4,6](Si[4]C[6a]N[6]S[4]N)(C[4,6]C[6]S[4])(C[6]C[6]H)	N(Si[4]N[4,6]C[6a]N[6]S[4])(NN)	Si[4](N[4,6]C[4,6]C[6])(C[6a]C[6a]2)(S[4]C[4,6])(N[6]C[6]2)(NN){1|S<1>,4|H<1>,6|C<3>}	N[4,6](Si[4]C[6a]N[6]S[4]N)(C[4,6]C[6]S[4])(C[6]C[6]H){2|H<1>,5|C<3>}	N(Si[4]N[4,6]C[6a]N[6]S[4])(NN)	86.8651	0.000	1	86.8651	0.000	1	86.8651	0.000	1	86.8715	0.644	3	86.8715	0.644	3	86.8715	0.644	3
722	74	951	0:SPD5_SP-NON_SP2	Si[4]	N[4]	H	3:3:1:1:1:	5:3:3:	5:	N[4]-3:N[4]-3:Cl-1:Cl-1:H-1:	Si[4]-5:C[4]-3:C[6a]-3:	Si[4]-5:	Si[4](N[4]C[6a]C[4])(N[4]C[4]C)(Cl)2(H)	N[4](Si[4]N[4]Cl2H)(C[4]C[6a]N[4])(C[6a]C[6a]2)	H(Si[4]N[4]2Cl2)	Si[4](N[4]C[6a]C[4])(N[4]C[4]C)(Cl)2(H){3|C<3>}	N[4](Si[4]N[4]Cl2H)(C[4]C[6a]N[4])(C[6a]C[6a]2){3|C<4>,4|C<3>}	H(Si[4]N[4]2Cl2)	124.3565	1.477	2	124.3565	2.182	2	124.3565	2.182	2	122.2847	13.968	3	106.1709	208.081	10	106.1709	208.081	10
722	74	951	0:SPD5_SP-NON_SP2	Si[4]	N[4]	H	3:3:1:1:1:	5:3:3:	5:	N[4]-3:N[4]-3:Cl-1:Cl-1:H-1:	Si[4]-5:C[6a]-3:C[4]-3:	Si[4]-5:	Si[4](N[4]C[6a]C[4])(N[4]C[4]C)(Cl)2(H)	N[4](Si[4]N[4]Cl2H)(C[6a]C[6a]2)(C[4]N[4]N)	H(Si[4]N[4]2Cl2)	Si[4](N[4]C[6a]C[4])(N[4]C[4]C)(Cl)2(H){1|N<3>,2|C<3>}	N[4](Si[4]N[4]Cl2H)(C[6a]C[6a]2)(C[4]N[4]N){2|C<3>,3|C<4>}	H(Si[4]N[4]2Cl2)	118.1410	0.000	1	118.1410	0.000	1	118.1410	0.000	1	122.2847	13.968	3	106.1709	208.081	10	106.1709	208.081	10
722	74	951	0:SPD5_SP-NON_SP2	Si[4]	N[4]	H	3:3:1:1:1:	5:3:4:	5:	N[4]-3:N[4]-3:Cl-1:Cl-1:H-1:	Si[4]-5:C[4]-3:C-4:	Si[4]-5:	Si[4](N[4]C[3x6]C[4])(N[4]C[4]C)(Cl)2(H)	N[4](Si[4]N[4]Cl2H)(C[4]C[6a]N[4])(CC3)	H(Si[4]N[4]2Cl2)	Si[4](N[4]C[3x6]C[4])(N[4]C[4]C)(Cl)2(H){1|C<3>,3|C<4>}	N[4](Si[4]N[4]Cl2H)(C[4]C[6a]N[4])(CC3){1|C<4>,2|C<3>}	H(Si[4]N[4]2Cl2)	116.5370	0.000	1	116.5370	0.000	1	99.2346	142.862	4	99.2346	142.862	4	106.1709	208.081	10	106.1709	208.081	10
722	74	951	0:SPD5_SP-NON_SP2	Si[4]	N[4]	H	3:3:1:1:1:	5:3:4:	5:	N[4]-3:N[4]-3:Cl-1:Cl-1:H-1:	Si[4]-5:C[4]-3:C-4:	Si[4]-5:	Si[4](N[4]C[6a]C[4])(N[4]C[4]C)(Cl)2(H)	N[4](Si[4]N[4]Cl2H)(C[4]C[6a]N[4])(CC3)	H(Si[4]N[4]2Cl2)	Si[4](N[4]C[6a]C[4])(N[4]C[4]C)(Cl)2(H){3|C<3>}	N[4](Si[4]N[4]Cl2H)(C[4]C[6a]N[4])(CC3){3|C<3>}	H(Si[4]N[4]2Cl2)	91.2554	0.271	2	91.2554	0.074	2	99.2346	142.862	4	99.2346	142.862	4	106.1709	208.081	10	106.1709	208.081	10
722	74	951	0:SPD5_SP-NON_SP2	Si[4]	N[4]	H	3:3:1:1:1:	5:3:4:	5:	N[4]-3:N[4]-3:Cl-1:Cl-1:H-1:	Si[4]-5:C[4]-3:C-4:	Si[4]-5:	Si[4](N[4]C[6a]C[4])(N[4]C[4]C)(Cl)2(H)	N[4](Si[4]N[4]Cl2H)(C[4]N[4]N)(CC3)	H(Si[4]N[4]2Cl2)	Si[4](N[4]C[6a]C[4])(N[4]C[4]C)(Cl)2(H){1|N<3>,2|C<3>}	N[4](Si[4]N[4]Cl2H)(C[4]N[4]N)(CC3){1|C<3>}	H(Si[4]N[4]2Cl2)	97.8906	0.000	1	97.8906	0.000	1	99.2346	142.862	4	99.2346	142.862	4	106.1709	208.081	10	106.1709	208.081	10
722	74	951	0:SPD5_SP-NON_SP2	Si[4]	N[4]	H	3:3:1:1:1:	5:4:3:	5:	N[4]-3:N[4]-3:Cl-1:Cl-1:H-1:	Si[4]-5:C[3x6]-4:C[4]-3:	Si[4]-5:	Si[4](N[4]C[3x6]C[4])(N[4]C[4]C)(Cl)2(H)	N[4](Si[4]N[4]Cl2H)(C[3x6]C[6,6]3)(C[4]C[6a]N[4])	H(Si[4]N[4]2Cl2)	Si[4](N[4]C[3x6]C[4])(N[4]C[4]C)(Cl)2(H){1|C<3>,3|C<4>}	N[4](Si[4]N[4]Cl2H)(C[3x6]C[6,6]3)(C[4]C[6a]N[4]){2|C<3>,4|C<4>,6|H<1>}	H(Si[4]N[4]2Cl2)	95.6305	0.000	1	95.6305	0.000	1	95.6305	0.000	1	95.6305	0.000	1	106.1709	208.081	10	106.1709	208.081	10
722	74	951	0:SPD5_SP-NON_SP2	Si[4]	N[4]	H	3:3:3:1:1:	5:3:4:	5:	N[4]-3:N[4]-3:N-3:Cl-1:H-1:	Si[4]-5:C[4]-3:C-4:	Si[4]-5:	Si[4](N[4]C[4]C)2(NHN)(Cl)(H)	N[4](Si[4]N[4]ClHN)(C[4]C[6a]N[4])(CC3)	H(Si[4]N[4]2ClN)	Si[4](N[4]C[4]C)2(NHN)(Cl)(H){1|C<3>}	N[4](Si[4]N[4]ClHN)(C[4]C[6a]N[4])(CC3){1|C<4>,2|C<3>}	H(Si[4]N[4]2ClN)	101.1428	16.827	2	101.1428	283.137	2	101.1428	283.137	2	101.1428	283.137	2	106.1709	208.081	10	106.1709	208.081	10
722	74	956	0:SPD5_SP2_SP2	Si[4,4]	N[4]	N	2:2:3:3:3:	5:3:4:	5:3:3:	O[4]-2:O[4]-2:N[4]-3:N[4]-3:N-3:	Si[4,4]-5:C[4]-3:C-4:	Si[4,4]-5:C[6a]-3:C[6a]-3:	Si[4,4](O[4]Si[4,4])2(N[4]C[4]C)2(NC[6a]2)	N[4](Si[4,4]N[4]O[4]2N)(C[4]C[6a]N[4])(CC3)	N(Si[4,4]N[4]2O[4]2)(C[6a]C[6a]2)2	Si[4,4](O[4]Si[4,4])2(N[4]C[4]C)2(NC[6a]2){1|C<3>,3|N<3>}	N[4](Si[4,4]N[4]O[4]2N)(C[4]C[6a]N[4])(CC3){1|Si<5>,1|C<4>,2|C<3>}	N(Si[4,4]N[4]2O[4]2)(C[6a]C[6a]2)2	103.6528	11.546	2	103.6528	133.308	2	103.6528	133.308	2	103.6528	133.308	2	103.6528	133.308	2	111.4431	347.778	12
722	74	956	0:SPD5_SP2_SP2	Si[4,5]	N[4]	N	4:4:3:3:3:	5:3:4:	5:3:4:	C[5]-4:C[5]-4:N[4]-3:N[4]-3:N-3:	Si[4,5]-5:C[4]-3:C-4:	Si[4,5]-5:C-3:C-4:	Si[4,5](C[5]C[6a]C[5]H)2(N[4]C[4]C)2(NCC)	N[4](Si[4,5]C[5]2N[4]N)(C[4]C[6a]N[4])(CCCH)	N(Si[4,5]C[5]2N[4]2)(CC[6a]N)(CCCH)	Si[4,5](C[5]C[6a]C[5]H)2(N[4]C[4]C)2(NCC){2|H<1>,5|C<3>}	N[4](Si[4,5]C[5]2N[4]N)(C[4]C[6a]N[4])(CCCH){1|C<4>,2|H<1>,6|C<3>}	N(Si[4,5]C[5]2N[4]2)(CC[6a]N)(CCCH)	123.4695	42.938	2	123.4695	1843.635	2	123.4695	1843.635	2	123.4695	1843.635	2	123.4695	1843.635	2	111.4431	347.778	12
722	74	956	0:SPD5_SP2_SP2	Si[4]	N[4]	N	3:3:3:1:1:	5:3:4:	5:2:1:	N[4]-3:N[4]-3:N-3:Cl-1:H-1:	Si[4]-5:C[4]-3:C-4:	Si[4]-5:N-2:H-1:	Si[4](N[4]C[4]C)2(NHN)(Cl)(H)	N[4](Si[4]N[4]ClHN)(C[4]C[6a]N[4])(CC3)	N(Si[4]N[4]2ClH)(NC)(H)	Si[4](N[4]C[4]C)2(NHN)(Cl)(H){1|C<3>}	N[4](Si[4]N[4]ClHN)(C[4]C[6a]N[4])(CC3){1|C<4>,2|C<3>}	N(Si[4]N[4]2ClH)(NC)(H)	111.2288	19.215	2	111.2288	369.224	2	111.2288	369.224	2	111.2288	369.224	2	110.3841	204.142	8	111.4431	347.778	12
722	74	956	0:SPD5_SP2_SP2	Si[4]	N[4]	N	3:3:3:1:1:	5:3:4:	5:3:3:	N[4]-3:N[4]-3:N-3:Cl-1:F-1:	Si[4]-5:C[4]-3:C-4:	Si[4]-5:C[6a]-3:C-3:	Si[4](N[4]C[4]C)2(NC[6a]C)(Cl)(F)	N[4](Si[4]N[4]ClFN)(C[4]C[6a]N[4])(CC3)	N(Si[4]N[4]2ClF)(C[6a]C[6a]2)(CCC)	Si[4](N[4]C[4]C)2(NC[6a]C)(Cl)(F){1|C<3>}	N[4](Si[4]N[4]ClFN)(C[4]C[6a]N[4])(CC3){1|C<4>,2|C<3>}	N(Si[4]N[4]2ClF)(C[6a]C[6a]2)(CCC)	110.3938	15.906	4	110.3938	253.008	4	110.3938	253.008	4	110.3938	253.008	4	110.3841	204.142	8	111.4431	347.778	12
722	74	956	0:SPD5_SP2_SP2	Si[4]	N[4]	N	3:3:3:3:1:	5:3:4:	5:4:4:	C[6a]-3:N[4]-3:N[4]-3:N-3:F-1:	Si[4]-5:C[4]-3:C-4:	Si[4]-5:C-4:C-4:	Si[4](C[6a]C[6a]2)(N[4]C[4]C)2(NCC)(F)	N[4](Si[4]C[6a]N[4]FN)(C[4]C[6a]N[4])(CC3)	N(Si[4]C[6a]N[4]2F)(CH3)2	Si[4](C[6a]C[6a]2)(N[4]C[4]C)2(NCC)(F){2|F<1>,3|C<3>}	N[4](Si[4]C[6a]N[4]FN)(C[4]C[6a]N[4])(CC3){1|C<4>,4|C<3>}	N(Si[4]C[6a]N[4]2F)(CH3)2	109.5200	17.258	2	109.5200	297.826	2	109.5200	297.826	2	109.5200	297.826	2	110.3841	204.142	8	111.4431	347.778	12
722	74	956	0:SPD5_SP2_SP3	Si[4,4]	N[4]	N	2:2:3:3:3:	5:3:4:	5:4:4:	O[4]-2:O[4]-2:N[4]-3:N[4]-3:N-3:	Si[4,4]-5:C[4]-3:C-4:	Si[4,4]-5:C-4:C-4:	Si[4,4](O[4]Si[4,4])2(N[4]C[4]C)2(NCC)	N[4](Si[4,4]N[4]O[4]2N)(C[4]C[6a]N[4])(CC3)	N(Si[4,4]N[4]2O[4]2)(CH3)2	Si[4,4](O[4]Si[4,4])2(N[4]C[4]C)2(NCC){1|C<3>,3|N<3>}	N[4](Si[4,4]N[4]O[4]2N)(C[4]C[6a]N[4])(CC3){1|Si<5>,1|C<4>,2|C<3>}	N(Si[4,4]N[4]2O[4]2)(CH3)2	105.9546	10.947	4	105.9546	119.837	4	105.9546	119.837	4	105.9546	119.837	4	105.9546	119.837	4	107.7618	92.317	8
722	74	956	0:SPD5_SP2_SP3	Si[4,5]	N[4]	N	3:3:2:2:3:	5:3:4:	5:4:4:	N[4]-3:N[4]-3:O[5]-2:O[5]-2:N-3:	Si[4,5]-5:C[4]-3:C-4:	Si[4,5]-5:Si-4:Si-4:	Si[4,5](N[4]C[4]C)2(O[5]C[5])2(NSi2)	N[4](Si[4,5]N[4]O[5]2N)(C[4]C[6a]N[4])(CC3)	N(Si[4,5]N[4]2O[5]2)(SiC3)2	Si[4,5](N[4]C[4]C)2(O[5]C[5])2(NSi2){2|H<1>,3|C<3>}	N[4](Si[4,5]N[4]O[5]2N)(C[4]C[6a]N[4])(CC3){2|C<3>,3|C<4>}	N(Si[4,5]N[4]2O[5]2)(SiC3)2	108.6205	12.104	2	108.6205	146.496	2	108.6205	146.496	2	108.6205	146.496	2	108.6205	146.496	2	107.7618	92.317	8
722	74	956	0:SPD5_SP2_SP3	Si[4]	N[4]	N	3:3:3:2:1:	3:5:4:	5:4:4:	N[4]-3:N[4]-3:N-3:O-2:F-1:	C[4]-3:Si[4]-5:C-4:	Si[4]-5:Si-4:Si-4:	Si[4](N[4]C[4]C)2(NSi2)(OC)(F)	N[4](C[4]C[6a]N[4])(Si[4]N[4]FNO)(CC3)	N(Si[4]N[4]2FO)(SiC3)2	Si[4](N[4]C[4]C)2(NSi2)(OC)(F){1|C<3>}	N[4](C[4]C[6a]N[4])(Si[4]N[4]FNO)(CC3){1|C<4>,2|C<3>}	N(Si[4]N[4]2FO)(SiC3)2	110.5175	10.511	2	110.5175	110.484	2	110.5175	110.484	2	110.5175	110.484	2	110.5175	110.484	2	107.7618	92.317	8
722	74	976	0:SPD5_SP2_SP2	Si[4,5]	N[4]	O[5]	3:3:2:2:1:	5:3:4:	5:3:	N[4]-3:N[4]-3:O[5]-2:O[5]-2:Cl-1:	Si[4,5]-5:C[4]-3:C-4:	Si[4,5]-5:C[5]-3:	Si[4,5](N[4]C[4]C)2(O[5]C[5])2(Cl)	N[4](Si[4,5]N[4]O[5]2Cl)(C[4]C[6a]N[4])(CC3)	O[5](Si[4,5]N[4]2O[5]Cl)(C[5]C[6a]C[5])	Si[4,5](N[4]C[4]C)2(O[5]C[5])2(Cl){3|C<3>}	N[4](Si[4,5]N[4]O[5]2Cl)(C[4]C[6a]N[4])(CC3){1|C<4>,4|C<3>}	O[5](Si[4,5]N[4]2O[5]Cl)(C[5]C[6a]C[5]){2|C<4>,4|C<3>}	121.3287	34.453	4	121.3287	1187.019	4	121.3287	1187.019	4	121.3287	1187.019	4	121.3287	1187.019	4	121.3287	1187.019	4
722	74	976	0:SPD5_SP2_SP3	Si[4,5]	N[4]	O[5]	3:3:2:2:3:	5:3:4:	5:4:	N[4]-3:N[4]-3:O[5]-2:O[5]-2:N-3:	Si[4,5]-5:C[4]-3:C-4:	Si[4,5]-5:C[5]-4:	Si[4,5](N[4]C[4]C)2(O[5]C[5])2(NSi2)	N[4](Si[4,5]N[4]O[5]2N)(C[4]C[6a]N[4])(CC3)	O[5](Si[4,5]N[4]2O[5]N)(C[5]C[6a]C[5]H)	Si[4,5](N[4]C[4]C)2(O[5]C[5])2(NSi2){2|H<1>,3|C<3>}	N[4](Si[4,5]N[4]O[5]2N)(C[4]C[6a]N[4])(CC3){2|C<3>,3|C<4>}	O[5](Si[4,5]N[4]2O[5]N)(C[5]C[6a]C[5]H){1|H<1>,2|C<4>,4|C<3>}	114.6352	32.702	4	114.6352	1069.418	4	114.6352	1069.418	4	114.6352	1069.418	4	114.6352	1069.418	4	114.6352	1069.418	4
722	74	996	0:SPD5_SP2_SP3	Si[4,4,5]	N[4]	Si[4,5]	3:4:3:3:2:	5:3:4:	5:3:4:3:	C[5,6a]-3:Si[4,5]-4:N[4]-3:N[4]-3:O[4]-2:	Si[4,4,5]-5:C[4]-3:C-4:	Si[4,4,5]-5:C[5,6a]-3:C[4]-4:N-3:	Si[4,4,5](C[5,6a]C[5,6a,6a]C[6a])(Si[4,5]C[5,6a]C[4]N)(N[4]C[4]C)2(O[4]C[4])	N[4](Si[4,4,5]C[5,6a]Si[4,5]N[4]O[4])(C[4]C[6a]N[4])(CC3)	Si[4,5](Si[4,4,5]C[5,6a]N[4]2O[4])(C[5,6a]C[5,6a,6a]C[6a])(C[4]C[6a]2O[4])(NCC)	Si[4,4,5](C[5,6a]C[5,6a,6a]C[6a])(Si[4,5]C[5,6a]C[4]N)(N[4]C[4]C)2(O[4]C[4]){1|H<1>,6|C<3>}	N[4](Si[4,4,5]C[5,6a]Si[4,5]N[4]O[4])(C[4]C[6a]N[4])(CC3){1|N<3>,2|C<4>,5|C<3>}	Si[4,5](Si[4,4,5]C[5,6a]N[4]2O[4])(C[5,6a]C[5,6a,6a]C[6a])(C[4]C[6a]2O[4])(NCC){1|H<1>,2|C<4>,8|C<3>}	135.2640	34.583	2	135.2640	1195.996	2	135.2640	1195.996	2	135.2640	1195.996	2	135.2640	1195.996	2	117.9052	353.115	8
722	74	996	0:SPD5_SP2_SP3	Si[4,4]	N[4]	Si[4,3x6]	4:3:2:3:3:	5:3:4:	4:5:4:4:	Si[4,3x6]-4:C[6a]-3:O[4]-2:N[4]-3:N[4]-3:	Si[4,4]-5:C[4]-3:C-4:	Si[4,6,6]-4:Si[4,4]-5:Si[4,6]-4:C[4x6]-4:	Si[4,4](Si[4,3x6]Si[4,6,6]Si[4,6]C[4x6])(C[6a]C[6,6a]C[6a])(O[4]Si[4,6])(N[4]C[4]C)2	N[4](Si[4,4]Si[4,3x6]C[6a]N[4]O[4])(C[4]C[6a]N[4])(CC3)	Si[4,3x6](Si[4,6,6]Si[4,4]C[3x6]Si[4])(Si[4,4]C[6a]N[4]2O[4])(Si[4,6]C[6a]N[6]O[4])(C[4x6]C[3x6]C[6,6]H)	Si[4,4](Si[4,3x6]Si[4,6,6]Si[4,6]C[4x6])(C[6a]C[6,6a]C[6a])(O[4]Si[4,6])(N[4]C[4]C)2{1|Si<4>,1|Si<5>,1|C<4>,1|N<3>,1|O<2>,2|H<1>,6|C<3>}	N[4](Si[4,4]Si[4,3x6]C[6a]N[4]O[4])(C[4]C[6a]N[4])(CC3){2|Si<4>,2|C<4>,4|C<3>}	Si[4,3x6](Si[4,6,6]Si[4,4]C[3x6]Si[4])(Si[4,4]C[6a]N[4]2O[4])(Si[4,6]C[6a]N[6]O[4])(C[4x6]C[3x6]C[6,6]H){10|C<3>,1|O<2>,2|H<1>,3|C<4>,3|N<3>}	108.0160	11.277	2	108.0160	127.169	2	108.0160	127.169	2	108.0160	127.169	2	108.0160	127.169	2	117.9052	353.115	8
722	74	996	0:SPD5_SP2_SP3	Si[4,4]	N[4]	Si[4,6,6]	4:3:3:3:2:	5:3:4:	4:5:4:4:	Si[4,6,6]-4:C[6a]-3:N[4]-3:N[4]-3:O[4]-2:	Si[4,4]-5:C[4]-3:C-4:	Si[4,3x6]-4:Si[4,4]-5:Si[4]-4:C[3x6]-4:	Si[4,4](Si[4,6,6]Si[4,3x6]C[3x6]Si[4])(C[6a]C[6,6a]C[6a])(N[4]C[4]C)2(O[4]Si[4])	N[4](Si[4,4]Si[4,6,6]C[6a]N[4]O[4])(C[4]C[6a]N[4])(CC3)	Si[4,6,6](Si[4,3x6]Si[4,4]Si[4,6]C[4x6])(Si[4,4]C[6a]N[4]2O[4])(Si[4]C[6a]O[4]N)(C[3x6]C[6,6]2H)	Si[4,4](Si[4,6,6]Si[4,3x6]C[3x6]Si[4])(C[6a]C[6,6a]C[6a])(N[4]C[4]C)2(O[4]Si[4]){1|Si<4>,1|Si<5>,1|C<4>,1|N<3>,1|O<2>,2|H<1>,6|C<3>}	N[4](Si[4,4]Si[4,6,6]C[6a]N[4]O[4])(C[4]C[6a]N[4])(CC3){2|Si<4>,2|C<4>,4|C<3>}	Si[4,6,6](Si[4,3x6]Si[4,4]Si[4,6]C[4x6])(Si[4,4]C[6a]N[4]2O[4])(Si[4]C[6a]O[4]N)(C[3x6]C[6,6]2H){1|O<2>,2|C<4>,3|H<1>,3|N<3>,9|C<3>}	110.3615	12.084	2	110.3615	146.017	2	110.3615	146.017	2	110.3615	146.017	2	110.3615	146.017	2	117.9052	353.115	8
722	74	996	0:SPD5_SP2_SP3	Si[4,4]	N[4]	Si[4]	3:4:3:3:1:	5:3:4:	5:3:3:1:	C[4]-3:Si[4]-4:N[4]-3:N[4]-3:Cl-1:	Si[4,4]-5:C[4]-3:C-4:	Si[4,4]-5:C[4]-3:N-3:Cl-1:	Si[4,4](C[4]C[6a]C[4])(Si[4]C[4]ClN)(N[4]C[4]C)2(Cl)	N[4](Si[4,4]Si[4]C[4]N[4]Cl)(C[4]C[6a]N[4])(CC3)	Si[4](Si[4,4]C[4]N[4]2Cl)(C[4]C[6a]C[4])(NCC)(Cl)	Si[4,4](C[4]C[6a]C[4])(Si[4]C[4]ClN)(N[4]C[4]C)2(Cl){4|C<3>}	N[4](Si[4,4]Si[4]C[4]N[4]Cl)(C[4]C[6a]N[4])(CC3){1|Cl<1>,1|C<4>,1|N<3>,4|C<3>}	Si[4](Si[4,4]C[4]N[4]2Cl)(C[4]C[6a]C[4])(NCC)(Cl){2|C<4>,4|C<3>}	117.9795	9.516	2	117.9795	90.545	2	117.9795	90.545	2	117.9795	90.545	2	117.9795	90.545	2	117.9052	353.115	8
722	226	226	4:SPD5_SP2_SP2	Si[4,4]	O[4]	O[4]	5:3:3:2:2:	5:3:	5:3:	C[3x3,4,3x5,14x6]-5:N[4]-3:N[4]-3:O[4]-2:O[4]-2:	Si[4,4]-5:C[4]-3:	Si[4,4]-5:C[4]-3:	Si[4,4](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(N[4]C[4]C)2(O[4]C[4])2	O[4](Si[4,4]C[3x3,4,3x5,14x6]N[4]2O[4])(C[4]O[4]O)	O[4](Si[4,4]C[3x3,4,3x5,14x6]N[4]2O[4])(C[4]O[4]O)	Si[4,4](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(N[4]C[4]C)2(O[4]C[4])2{1|C<3>,1|C<5>,1|O<1>,4|H<1>,5|B<6>}	O[4](Si[4,4]C[3x3,4,3x5,14x6]N[4]2O[4])(C[4]O[4]O){1|C<3>,2|C<4>,4|B<6>}	O[4](Si[4,4]C[3x3,4,3x5,14x6]N[4]2O[4])(C[4]O[4]O){1|C<3>,2|C<4>,4|B<6>}	75.0407	0.000	1	75.0407	0.000	1	75.0407	0.000	1	75.0407	0.000	1	75.0407	0.000	1	75.0407	0.000	1
722	226	226	4:SPD5_SP3_SP3	Si[4,4]	O[4]	O[4]	2:2:3:3:3:	5:5:	5:5:	O[4]-2:O[4]-2:N[4]-3:N[4]-3:N-3:	Si[4,4]-5:Si[4,4]-5:	Si[4,4]-5:Si[4,4]-5:	Si[4,4](O[4]Si[4,4])2(N[4]C[4]C)2(NCC)	O[4](Si[4,4]N[4]2O[4]N)2	O[4](Si[4,4]N[4]2O[4]N)2	Si[4,4](O[4]Si[4,4])2(N[4]C[4]C)2(NCC){1|C<3>,3|N<3>}	O[4](Si[4,4]N[4]2O[4]N)2{2|C<3>,4|C<4>}	O[4](Si[4,4]N[4]2O[4]N)2{2|C<3>,4|C<4>}	84.9843	0.130	2	84.9843	0.017	2	84.9000	0.030	3	84.9000	0.030	3	84.9061	0.020	4	84.9061	0.020	4
722	226	226	4:SPD5_SP3_SP3	Si[4,4]	O[4]	O[4]	2:2:3:3:3:	5:5:	5:5:	O[4]-2:O[4]-2:N[4]-3:N[4]-3:N-3:	Si[4,4]-5:Si[4,4]-5:	Si[4,4]-5:Si[4,4]-5:	Si[4,4](O[4]Si[4,4])2(N[4]C[4]C)2(NC[6a]2)	O[4](Si[4,4]N[4]2O[4]N)2	O[4](Si[4,4]N[4]2O[4]N)2	Si[4,4](O[4]Si[4,4])2(N[4]C[4]C)2(NC[6a]2){1|C<3>,3|N<3>}	O[4](Si[4,4]N[4]2O[4]N)2{2|C<3>,4|C<4>}	O[4](Si[4,4]N[4]2O[4]N)2{2|C<3>,4|C<4>}	84.7314	0.000	1	84.7314	0.000	1	84.9000	0.030	3	84.9000	0.030	3	84.9061	0.020	4	84.9061	0.020	4
722	226	226	4:SPD5_SP3_SP3	Si[4,4]	O[4]	O[4]	2:2:3:3:4:	5:5:	5:5:	O[4]-2:O[4]-2:N[4]-3:N[4]-3:C-4:	Si[4,4]-5:Si[4,4]-5:	Si[4,4]-5:Si[4,4]-5:	Si[4,4](O[4]Si[4,4])2(N[4]C[4]C)2(CC[6a]2H)	O[4](Si[4,4]N[4]2O[4]C)2	O[4](Si[4,4]N[4]2O[4]C)2	Si[4,4](O[4]Si[4,4])2(N[4]C[4]C)2(CC[6a]2H){1|C<3>,1|C<4>,2|N<3>}	O[4](Si[4,4]N[4]2O[4]C)2{2|C<3>,4|C<4>}	O[4](Si[4,4]N[4]2O[4]C)2{2|C<3>,4|C<4>}	84.9246	0.000	1	84.9246	0.000	1	84.9246	0.000	1	84.9246	0.000	1	84.9061	0.020	4	84.9061	0.020	4
722	226	362	0:SPD5_SP3_SPD6	Si[4,4,5]	O[4]	C[5x3,6x5,20x6]	6:3:2:3:3:	5:5:	6:6:6:6:6:5:	C[5x3,6x5,20x6]-6:C[4,5]-3:O[4]-2:N[4]-3:N[4]-3:	Si[4,4,5]-5:Si[4,4]-5:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,6x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:Si[4,4,5]-5:	Si[4,4,5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[4,5]Si[4,4]C[5])(O[4]Si[4,4])(N[4]C[4]C)2	O[4](Si[4,4,5]C[5x3,6x5,20x6]C[4,5]N[4]2)(Si[4,4]C[4,5]N[4]2O)	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(Si[4,4,5]C[4,5]N[4]2O[4])	Si[4,4,5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[4,5]Si[4,4]C[5])(O[4]Si[4,4])(N[4]C[4]C)2{1|C<3>,2|N<3>,2|O<2>,4|H<1>,5|B<6>}	O[4](Si[4,4,5]C[5x3,6x5,20x6]C[4,5]N[4]2)(Si[4,4]C[4,5]N[4]2O){1|C<6>,3|C<3>,4|B<6>,4|C<4>}	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(Si[4,4,5]C[4,5]N[4]2O[4]){1|Si<5>,1|B<6>,1|C<3>,1|O<2>,2|C<4>,5|H<1>}	160.2050	2.654	2	160.2050	7.046	2	160.2050	7.046	2	160.2050	7.046	2	160.2050	7.046	2	160.2050	7.046	2
722	226	490	0:SPD5_SP3_SP3	Si[4,4]	O[4]	C	2:2:3:3:4:	5:5:	5:3:3:1:	O[4]-2:O[4]-2:N[4]-3:N[4]-3:C-4:	Si[4,4]-5:Si[4,4]-5:	Si[4,4]-5:C[6a]-3:C[6a]-3:H-1:	Si[4,4](O[4]Si[4,4])2(N[4]C[4]C)2(CC[6a]2H)	O[4](Si[4,4]N[4]2O[4]C)2	C(Si[4,4]N[4]2O[4]2)(C[6a]C[6a]2)2(H)	Si[4,4](O[4]Si[4,4])2(N[4]C[4]C)2(CC[6a]2H){1|C<3>,1|C<4>,2|N<3>}	O[4](Si[4,4]N[4]2O[4]C)2{2|C<3>,4|C<4>}	C(Si[4,4]N[4]2O[4]2)(C[6a]C[6a]2)2(H)	109.4200	10.816	2	109.4200	116.984	2	109.4200	116.984	2	109.4200	116.984	2	109.4200	116.984	2	109.4200	116.984	2
722	226	643	0:SPD5_SP2_SP3	Si[4,4]	O[4]	C[6a]	4:3:2:3:3:	5:4:	5:3:3:	Si[4,3x6]-4:C[6a]-3:O[4]-2:N[4]-3:N[4]-3:	Si[4,4]-5:Si[4,6]-4:	Si[4,4]-5:C[6,6a]-3:C[6a]-3:	Si[4,4](Si[4,3x6]Si[4,6,6]Si[4,6]C[4x6])(C[6a]C[6,6a]C[6a])(O[4]Si[4,6])(N[4]C[4]C)2	O[4](Si[4,4]Si[4,3x6]C[6a]N[4]2)(Si[4,6]Si[4,3x6]C[6a]N[6])	C[6a](Si[4,4]Si[4,3x6]N[4]2O[4])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)	Si[4,4](Si[4,3x6]Si[4,6,6]Si[4,6]C[4x6])(C[6a]C[6,6a]C[6a])(O[4]Si[4,6])(N[4]C[4]C)2{1|Si<4>,1|Si<5>,1|C<4>,1|N<3>,1|O<2>,2|H<1>,6|C<3>}	O[4](Si[4,4]Si[4,3x6]C[6a]N[4]2)(Si[4,6]Si[4,3x6]C[6a]N[6]){1|Si<4>,4|C<4>,6|C<3>}	C[6a](Si[4,4]Si[4,3x6]N[4]2O[4])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H){2|Si<4>,1|H<1>,3|C<3>,4|C<4>}	96.2991	0.000	1	96.2991	0.000	1	96.2991	0.000	1	96.2991	0.000	1	95.7339	0.639	2	95.7339	0.639	2
722	226	643	0:SPD5_SP2_SP3	Si[4,4]	O[4]	C[6a]	4:3:3:3:2:	5:4:	5:3:3:	Si[4,6,6]-4:C[6a]-3:N[4]-3:N[4]-3:O[4]-2:	Si[4,4]-5:Si[4]-4:	Si[4,4]-5:C[6,6a]-3:C[6a]-3:	Si[4,4](Si[4,6,6]Si[4,3x6]C[3x6]Si[4])(C[6a]C[6,6a]C[6a])(N[4]C[4]C)2(O[4]Si[4])	O[4](Si[4,4]Si[4,6,6]C[6a]N[4]2)(Si[4]Si[4,6,6]C[6a]N)	C[6a](Si[4,4]Si[4,6,6]N[4]2O[4])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)	Si[4,4](Si[4,6,6]Si[4,3x6]C[3x6]Si[4])(C[6a]C[6,6a]C[6a])(N[4]C[4]C)2(O[4]Si[4]){1|Si<4>,1|Si<5>,1|C<4>,1|N<3>,1|O<2>,2|H<1>,6|C<3>}	O[4](Si[4,4]Si[4,6,6]C[6a]N[4]2)(Si[4]Si[4,6,6]C[6a]N){1|Si<4>,3|C<4>,5|C<3>}	C[6a](Si[4,4]Si[4,6,6]N[4]2O[4])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H){2|Si<4>,1|H<1>,3|C<3>,4|C<4>}	95.1687	0.000	1	95.1687	0.000	1	95.1687	0.000	1	95.1687	0.000	1	95.7339	0.639	2	95.7339	0.639	2
722	226	727	0:SPD5_SP2_SP3	Si[4,4,5]	O[4]	C[5,6a]	3:4:3:3:2:	5:4:	3:5:3:	C[5,6a]-3:Si[4,5]-4:N[4]-3:N[4]-3:O[4]-2:	Si[4,4,5]-5:C[4]-4:	C[5,6a,6a]-3:Si[4,4,5]-5:C[6a]-3:	Si[4,4,5](C[5,6a]C[5,6a,6a]C[6a])(Si[4,5]C[5,6a]C[4]N)(N[4]C[4]C)2(O[4]C[4])	O[4](Si[4,4,5]C[5,6a]Si[4,5]N[4]2)(C[4]Si[4,5]C[6a]2)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(Si[4,4,5]Si[4,5]N[4]2O[4])(C[6a]C[6a]H)	Si[4,4,5](C[5,6a]C[5,6a,6a]C[6a])(Si[4,5]C[5,6a]C[4]N)(N[4]C[4]C)2(O[4]C[4]){1|H<1>,6|C<3>}	O[4](Si[4,4,5]C[5,6a]Si[4,5]N[4]2)(C[4]Si[4,5]C[6a]2){1|N<3>,2|C<4>,8|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(Si[4,4,5]Si[4,5]N[4]2O[4])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<4>,4|C<3>}	106.8100	0.000	1	106.8100	0.000	1	106.8100	0.000	1	106.8100	0.000	1	106.8100	0.000	1	106.8100	0.000	1