996	478	490	0:SP3_SP3_SP3	Si[4]	C[4]	C	3:4:4:4:	3:4:1:1:	4:1:1:1:	N[4,6]-3:C[4]-4:C-4:C-4:	C[4,6]-3:Si[4]-4:H-1:H-1:	Si[4]-4:H-1:H-1:H-1:	Si[4](N[4,6]C[4,6]C[6])(C[4]C[4,6]HH)(CC3)(CH3)	C[4](C[4,6]N[4,6]C[6])(Si[4]N[4,6]CC)(H)2	C(Si[4]N[4,6]C[4]C)(H)3	Si[4](N[4,6]C[4,6]C[6])(C[4]C[4,6]HH)(CC3)(CH3){1|C<4>,2|C<3>}	C[4](C[4,6]N[4,6]C[6])(Si[4]N[4,6]CC)(H)2{1|H<1>,2|C<3>}	C(Si[4]N[4,6]C[4]C)(H)3	114.8790	0.000	1	114.8790	0.000	1	114.8790	0.000	1	114.8790	0.000	1	115.8867	8.586	24	115.8867	8.586	24
996	478	490	0:SP3_SP3_SP3	Si[4]	C[4]	C	3:4:4:4:	3:4:1:1:	4:4:4:4:	N[4,6]-3:C[4]-4:C-4:C-4:	C[4,6]-3:Si[4]-4:H-1:H-1:	Si[4]-4:C-4:C-4:C-4:	Si[4](N[4,6]C[4,6]C[6])(C[4]C[4,6]HH)(CC3)(CH3)	C[4](C[4,6]N[4,6]C[6])(Si[4]N[4,6]CC)(H)2	C(Si[4]N[4,6]C[4]C)(CH3)3	Si[4](N[4,6]C[4,6]C[6])(C[4]C[4,6]HH)(CC3)(CH3){1|C<4>,2|C<3>}	C[4](C[4,6]N[4,6]C[6])(Si[4]N[4,6]CC)(H)2{1|H<1>,2|C<3>}	C(Si[4]N[4,6]C[4]C)(CH3)3	114.0220	0.000	1	114.0220	0.000	1	114.0220	0.000	1	114.0220	0.000	1	115.8867	8.586	24	115.8867	8.586	24
996	478	490	0:SP3_SP3_SP3	Si[4]	C[4]	C	4:3:4:4:	4:3:3:3:	4:1:1:1:	C[4]-4:C[4]-3:C-4:C-4:	Si[4]-4:C[6a]-3:C[6a]-3:C[4]-3:	Si[4]-4:H-1:H-1:H-1:	Si[4](C[4]C[6a]2C[4])(C[4]C[4]C)(CH3)2	C[4](Si[4]C[4]CC)(C[6a]C[6a]2)2(C[4]C[4]Si)	C(Si[4]C[4]2C)(H)3	Si[4](C[4]C[6a]2C[4])(C[4]C[4]C)(CH3)2{1|Si<4>,4|C<3>}	C[4](Si[4]C[4]CC)(C[6a]C[6a]2)2(C[4]C[4]Si){1|C<4>,4|C<3>,4|H<1>}	C(Si[4]C[4]2C)(H)3	116.7720	2.646	2	116.7720	7.001	2	116.7720	7.001	2	116.7720	7.001	2	115.8867	8.586	24	115.8867	8.586	24
996	478	490	0:SP3_SP3_SP3	Si[4]	C[4]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[4]-4:N[4]-3:C-4:C-4:	Si[4]-4:Si[4]-4:H-1:H-1:	Si[4]-4:H-1:H-1:H-1:	Si[4](C[4]Si[4]HH)(N[4]Si[4]Si)(CH3)2	C[4](Si[4]N[4]Fe2)(Si[4]N[4]CC)(H)2	C(Si[4]C[4]N[4]C)(H)3	Si[4](C[4]Si[4]HH)(N[4]Si[4]Si)(CH3)2{2|Fe<8>}	C[4](Si[4]N[4]Fe2)(Si[4]N[4]CC)(H)2{1|Si<4>}	C(Si[4]C[4]N[4]C)(H)3	114.2060	0.776	2	114.2060	0.603	2	114.2060	0.603	2	114.2060	0.603	2	115.8867	8.586	24	115.8867	8.586	24
996	478	490	0:SP3_SP3_SP3	Si[4]	C[4]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[4]-4:C[4]-4:C-4:C-4:	Si[4]-4:Si[4]-4:H-1:H-1:	Si[4]-4:Si-4:H-1:H-1:	Si[4](C[4]Si[4]HH)2(CSiHH)2	C[4](Si[4]C[4]Si2)(Si[4]C[4]CC)(H)2	C(Si[4]C[4]2C)(SiSi3)(H)2	Si[4](C[4]Si[4]HH)2(CSiHH)2{2|Si<4>}	C[4](Si[4]C[4]Si2)(Si[4]C[4]CC)(H)2{2|H<1>}	C(Si[4]C[4]2C)(SiSi3)(H)2	113.9519	3.273	8	113.9519	10.713	8	113.9519	10.713	8	113.9519	10.713	8	115.8867	8.586	24	115.8867	8.586	24
996	478	490	0:SP3_SP3_SP3	Si[4]	C[4]	C	4:4:4:4:	4:4:4:4:	4:4:4:4:	Si[4]-4:C[4]-4:C-4:C-4:	Si[4]-4:C[4]-4:C-4:C-4:	Si[4]-4:C-4:C-4:C-4:	Si[4](Si[4]C[4]SiH)(C[4]C[4]CC)(CC3)2	C[4](Si[4]Si[4]CC)(C[4]Si[4]HH)(CH3)2	C(Si[4]Si[4]C[4]C)(CH3)3	Si[4](Si[4]C[4]SiH)(C[4]C[4]CC)(CC3)2{2|H<1>}	C[4](Si[4]Si[4]CC)(C[4]Si[4]HH)(CH3)2{1|Si<4>,1|H<1>}	C(Si[4]Si[4]C[4]C)(CH3)3	114.5035	1.701	2	114.5035	2.892	2	114.5035	2.892	2	114.5035	2.892	2	115.8867	8.586	24	115.8867	8.586	24
996	478	490	0:SP3_SP3_SP3	Si[4]	C[4]	C	4:4:4:4:	5:4:4:4:	4:1:1:1:	C[4]-4:N[4]-4:C-4:C-4:	Ga[4]-5:Si[4]-4:Si-4:Si-4:	Si[4]-4:H-1:H-1:H-1:	Si[4](C[4]Ga[4]Si2)(N[4]Ga[4]CC)(CH3)2	C[4](Ga[4]C[5]2N[4]Fe)(Si[4]N[4]CC)(SiC3)2	C(Si[4]C[4]N[4]C)(H)3	Si[4](C[4]Ga[4]Si2)(N[4]Ga[4]CC)(CH3)2{1|Fe<11>,2|C<4>}	C[4](Ga[4]C[5]2N[4]Fe)(Si[4]N[4]CC)(SiC3)2{6|C<4>}	C(Si[4]C[4]N[4]C)(H)3	118.9200	0.690	2	118.9200	0.476	2	118.7253	0.292	8	118.7253	0.292	8	115.8867	8.586	24	115.8867	8.586	24
996	478	490	0:SP3_SP3_SP3	Si[4]	C[4]	C	4:4:4:4:	5:4:4:4:	4:1:1:1:	C[4]-4:N[4]-4:C-4:C-4:	Ga[4]-5:Si[4]-4:Si-4:Si-4:	Si[4]-4:H-1:H-1:H-1:	Si[4](C[4]Ga[4]Si2)(N[4]Ga[4]CC)(CH3)2	C[4](Ga[4]C[5]2N[4]Ru)(Si[4]N[4]CC)(SiC3)2	C(Si[4]C[4]N[4]C)(H)3	Si[4](C[4]Ga[4]Si2)(N[4]Ga[4]CC)(CH3)2{1|Ru<11>,2|C<4>}	C[4](Ga[4]C[5]2N[4]Ru)(Si[4]N[4]CC)(SiC3)2{6|C<4>}	C(Si[4]C[4]N[4]C)(H)3	118.8735	0.968	2	118.8735	0.937	2	118.7253	0.292	8	118.7253	0.292	8	115.8867	8.586	24	115.8867	8.586	24
996	478	490	0:SP3_SP3_SP3	Si[4]	C[4]	C	4:4:4:4:	5:4:4:4:	4:1:1:1:	C[4]-4:N[4]-4:C-4:C-4:	Ga[4]-5:Si[4]-4:Si-4:Si-4:	Si[4]-4:H-1:H-1:H-1:	Si[4](C[4]Ga[4]Si2)(N[4]Ga[4]CC)(CH3)2	C[4](Ga[4]C[6]2N[4]Cr)(Si[4]N[4]CC)(SiC3)2	C(Si[4]C[4]N[4]C)(H)3	Si[4](C[4]Ga[4]Si2)(N[4]Ga[4]CC)(CH3)2{1|Cr<13>,2|C<4>}	C[4](Ga[4]C[6]2N[4]Cr)(Si[4]N[4]CC)(SiC3)2{6|C<4>}	C(Si[4]C[4]N[4]C)(H)3	118.5840	0.173	2	118.5840	0.030	2	118.7253	0.292	8	118.7253	0.292	8	115.8867	8.586	24	115.8867	8.586	24
996	478	490	0:SP3_SP3_SP3	Si[4]	C[4]	C	4:4:4:4:	5:4:4:4:	4:1:1:1:	C[4]-4:N[4]-4:C-4:C-4:	Ga[4]-5:Si[4]-4:Si-4:Si-4:	Si[4]-4:H-1:H-1:H-1:	Si[4](C[4]Ga[4]Si2)(N[4]Ga[4]CC)(CH3)2	C[4](Ga[4]C[6]2N[4]V)(Si[4]N[4]CC)(SiC3)2	C(Si[4]C[4]N[4]C)(H)3	Si[4](C[4]Ga[4]Si2)(N[4]Ga[4]CC)(CH3)2{1|V<13>,2|C<4>}	C[4](Ga[4]C[6]2N[4]V)(Si[4]N[4]CC)(SiC3)2{6|C<4>}	C(Si[4]C[4]N[4]C)(H)3	118.5235	0.598	2	118.5235	0.357	2	118.7253	0.292	8	118.7253	0.292	8	115.8867	8.586	24	115.8867	8.586	24
996	478	542	0:SP3_SP2_SP3	Si[4,5]	C[4,5]	N[5]	4:4:3:3:	4:4:3:4:	4:3:3:	C[4,5]-4:C[4,5]-4:N[5]-3:N-3:	Si[4,5]-4:C[4,5]-4:C[5]-3:C-4:	Si[4,5]-4:C[6a]-3:C[5]-3:	Si[4,5](C[4,5]C[4,5]C[5]C)2(N[5]C[6a]C[5])(NC[6a]H)	C[4,5](Si[4,5]C[4,5]N[5]N)(C[4,5]C[4,5]C[5]C)(C[5]C[5]C)(CH3)	N[5](Si[4,5]C[4,5]2N)(C[6a]C[6a]2)(C[5]C[5]C)	Si[4,5](C[4,5]C[4,5]C[5]C)2(N[5]C[6a]C[5])(NC[6a]H){1|H<1>,2|C<4>,5|C<3>}	C[4,5](Si[4,5]C[4,5]N[5]N)(C[4,5]C[4,5]C[5]C)(C[5]C[5]C)(CH3){3|C<3>,3|C<4>}	N[5](Si[4,5]C[4,5]2N)(C[6a]C[6a]2)(C[5]C[5]C){1|H<1>,3|C<3>,5|C<4>}	114.4640	0.000	1	114.4640	0.000	1	114.4640	0.000	1	114.4640	0.000	1	114.4640	0.000	1	114.4640	0.000	1
996	478	542	5:SP3_SP2_SP3	Si[4,5]	C[4,5]	N[5]	4:4:3:3:	4:4:3:4:	4:3:3:	C[4,5]-4:C[4,5]-4:N[5]-3:N-3:	Si[4,5]-4:C[4,5]-4:C[5]-3:C-4:	Si[4,5]-4:C[6a]-3:C[5]-3:	Si[4,5](C[4,5]C[4,5]C[5]C)2(N[5]C[6a]C[5])(NC[6a]H)	C[4,5](Si[4,5]C[4,5]N[5]N)(C[4,5]C[4,5]C[5]C)(C[5]C[5]H)(CH3)	N[5](Si[4,5]C[4,5]2N)(C[6a]C[6a]2)(C[5]C[5]C)	Si[4,5](C[4,5]C[4,5]C[5]C)2(N[5]C[6a]C[5])(NC[6a]H){1|H<1>,2|C<4>,5|C<3>}	C[4,5](Si[4,5]C[4,5]N[5]N)(C[4,5]C[4,5]C[5]C)(C[5]C[5]H)(CH3){3|C<3>,3|C<4>}	N[5](Si[4,5]C[4,5]2N)(C[6a]C[6a]2)(C[5]C[5]C){1|H<1>,3|C<3>,5|C<4>}	97.9930	0.000	1	97.9930	0.000	1	97.9930	0.000	1	97.9930	0.000	1	97.9930	0.000	1	97.9930	0.000	1
996	478	643	0:SP3_SP2_SP3	Si[4]	C[4]	C[6a]	3:3:4:4:	4:4:1:1:	4:3:3:	C[6a]-3:C[6a]-3:C[4]-4:C[4]-4:	Si[4]-4:C[4]-4:H-1:H-1:	Si[4]-4:C[6a]-3:C[6a]-3:	Si[4](C[6a]C[6a]2)2(C[4]C[4]HH)2	C[4](Si[4]C[6a]2C[4])(C[4]C[4]HH)(H)2	C[6a](Si[4]C[6a]C[4]2)(C[6a]C[6a]H)2	Si[4](C[6a]C[6a]2)2(C[4]C[4]HH)2{4|C<3>,6|H<1>}	C[4](Si[4]C[6a]2C[4])(C[4]C[4]HH)(H)2{2|H<1>,4|C<3>}	C[6a](Si[4]C[6a]C[4]2)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,6|H<1>}	116.5410	4.630	4	116.5410	21.432	4	116.5410	21.432	4	116.5410	21.432	4	116.2732	16.433	5	116.2732	16.433	5
996	478	643	0:SP3_SP2_SP3	Si[4]	C[4]	C[6a]	3:4:3:3:	3:4:4:4:	4:3:3:	C[4,6a]-3:C[4]-4:C[6a]-3:C-3:	C[4,6a]-3:Si[4]-4:C-4:C-4:	Si[4]-4:C[6a]-3:C[6a]-3:	Si[4](C[4,6a]C[4,6a]C[6a])(C[4]C[4,6a]CC)(C[6a]C[6a]2)(CCH)	C[4](C[4,6a]C[4,6a]C[6a])(Si[4]C[4,6a]C[6a]C)(CH3)2	C[6a](Si[4]C[4,6a]C[4]C)(C[6a]C[6a]C)2	Si[4](C[4,6a]C[4,6a]C[6a])(C[4]C[4,6a]CC)(C[6a]C[6a]2)(CCH){3|C<4>,4|C<3>}	C[4](C[4,6a]C[4,6a]C[6a])(Si[4]C[4,6a]C[6a]C)(CH3)2{1|H<1>,4|C<3>}	C[6a](Si[4]C[4,6a]C[4]C)(C[6a]C[6a]C)2{2|C<4>,2|H<1>,3|C<3>}	115.2020	0.000	1	115.2020	0.000	1	115.2020	0.000	1	115.2020	0.000	1	116.2732	16.433	5	116.2732	16.433	5
996	478	722	4:SP3_SP3_SPD5	Si[4,5]	C[4]	Si[4,4,5]	5:3:4:3:	4:2:3:3:	3:4:3:3:2:	Si[4,4,5]-5:C[5,6a]-3:C[4]-4:N-3:	Si[4,5]-4:O[4]-2:C[6a]-3:C[6a]-3:	C[5,6a]-3:Si[4,5]-4:N[4]-3:N[4]-3:O[4]-2:	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)	C[4](Si[4,5]Si[4,4,5]C[5,6a]N)(O[4]Si[4,4,5])(C[6a]C[6a]2)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])	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>}	C[4](Si[4,5]Si[4,4,5]C[5,6a]N)(O[4]Si[4,4,5])(C[6a]C[6a]2)2{2|N<3>,4|H<1>,7|C<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]){1|H<1>,6|C<3>}	73.8398	0.000	1	73.8398	0.000	1	73.8398	0.000	1	73.8398	0.000	1	73.8398	0.000	1	73.8398	0.000	1
996	478	727	0:SP3_SP2_SP3	Si[4,5]	C[4]	C[5,6a]	5:3:4:3:	4:2:3:3:	3:4:3:	Si[4,4,5]-5:C[5,6a]-3:C[4]-4:N-3:	Si[4,5]-4:O[4]-2:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:Si[4,5]-4:C[6a]-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)	C[4](Si[4,5]Si[4,4,5]C[5,6a]N)(O[4]Si[4,4,5])(C[6a]C[6a]2)2	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(Si[4,5]Si[4,4,5]C[4]N)(C[6a]C[6a]H)	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>}	C[4](Si[4,5]Si[4,4,5]C[5,6a]N)(O[4]Si[4,4,5])(C[6a]C[6a]2)2{2|N<3>,4|H<1>,7|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(Si[4,5]Si[4,4,5]C[4]N)(C[6a]C[6a]H){1|H<1>,1|O<2>,2|N<3>,5|C<3>}	108.7390	0.000	1	108.7390	0.000	1	108.7390	0.000	1	108.7390	0.000	1	108.7390	0.000	1	108.7390	0.000	1
996	478	769	4:SP3_SP2_SP3	Si[4]	C[4]	C[4,6a]	3:4:3:3:	3:4:4:4:	3:4:3:	C[4,6a]-3:C[4]-4:C[6a]-3:C-3:	C[4,6a]-3:Si[4]-4:C-4:C-4:	C[4,6a]-3:Si[4]-4:C[6a]-3:	Si[4](C[4,6a]C[4,6a]C[6a])(C[4]C[4,6a]CC)(C[6a]C[6a]2)(CCH)	C[4](C[4,6a]C[4,6a]C[6a])(Si[4]C[4,6a]C[6a]C)(CH3)2	C[4,6a](C[4,6a]C[6a]C[4])(Si[4]C[6a]C[4]C)(C[6a]C[6a]C)	Si[4](C[4,6a]C[4,6a]C[6a])(C[4]C[4,6a]CC)(C[6a]C[6a]2)(CCH){3|C<4>,4|C<3>}	C[4](C[4,6a]C[4,6a]C[6a])(Si[4]C[4,6a]C[6a]C)(CH3)2{1|H<1>,4|C<3>}	C[4,6a](C[4,6a]C[6a]C[4])(Si[4]C[6a]C[4]C)(C[6a]C[6a]C){2|C<4>,2|H<1>,3|C<3>}	76.6976	0.000	1	76.6976	0.000	1	76.6976	0.000	1	76.6976	0.000	1	77.3453	0.839	2	77.3453	0.839	2
996	478	769	4:SP3_SP2_SP3	Si[4]	C[4]	C[4,6a]	3:4:4:1:	3:4:4:4:	3:4:3:	C[4,6a]-3:C[4]-4:Si-4:H-1:	C[4,6a]-3:Si[4]-4:Si-4:Si-4:	C[4,6a]-3:Si[4]-4:C[6a]-3:	Si[4](C[4,6a]C[4,6a]C[6a])(C[4]C[4,6a]Si2)(SiC[6a]HH)(H)	C[4](C[4,6a]C[4,6a]C[6a])(Si[4]C[4,6a]SiH)(SiC3)2	C[4,6a](C[4,6a]C[6a]C[4])(Si[4]C[4]SiH)(C[6a]C[6a]C)	Si[4](C[4,6a]C[4,6a]C[6a])(C[4]C[4,6a]Si2)(SiC[6a]HH)(H){1|C<4>,2|C<3>}	C[4](C[4,6a]C[4,6a]C[6a])(Si[4]C[4,6a]SiH)(SiC3)2{1|H<1>,2|C<3>}	C[4,6a](C[4,6a]C[6a]C[4])(Si[4]C[4]SiH)(C[6a]C[6a]C){2|Si<4>,1|C<3>,2|H<1>}	77.9931	0.000	1	77.9931	0.000	1	77.9931	0.000	1	77.9931	0.000	1	77.3453	0.839	2	77.3453	0.839	2
996	478	790	0:SP3_SP-NON_SP3	Si[4,6]	C[4,5,6]	Cl	4:4:3:1:	4:4:3:4:	4:	Si[3,4,6]-4:C[4,5,6]-4:N-3:Cl-1:	C[3,4,5]-4:Si[4,6]-4:C[5,6]-3:C-4:	Si[4,6]-4:	Si[4,6](Si[3,4,6]C[3,4,5]C[3,5,6]N)(C[4,5,6]C[3,4,5]C[5,6]C)(NSi2)(Cl)	C[4,5,6](C[3,4,5]Si[3,4,6]C[3,5,6]C)(Si[4,6]Si[3,4,6]ClN)(C[5,6]C[5,6]C)(CH3)	Cl(Si[4,6]Si[3,4,6]C[4,5,6]N)	Si[4,6](Si[3,4,6]C[3,4,5]C[3,5,6]N)(C[4,5,6]C[3,4,5]C[5,6]C)(NSi2)(Cl){1|C<3>,3|C<4>}	C[4,5,6](C[3,4,5]Si[3,4,6]C[3,5,6]C)(Si[4,6]Si[3,4,6]ClN)(C[5,6]C[5,6]C)(CH3){1|N<3>,2|C<4>}	Cl(Si[4,6]Si[3,4,6]C[4,5,6]N)	105.9810	0.000	1	105.9810	0.000	1	105.9810	0.000	1	105.9810	0.000	1	105.9810	0.000	1	114.6864	27.728	5
996	478	790	0:SP3_SP-NON_SP3	Si[4]	C[4]	Cl	4:4:1:1:	4:4:1:1:	4:	C[4]-4:C[4]-4:Cl-1:Cl-1:	Si[4]-4:C[4]-4:H-1:H-1:	Si[4]-4:	Si[4](C[4]C[4]HH)2(Cl)2	C[4](Si[4]C[4]Cl2)(C[4]C[4]HH)(H)2	Cl(Si[4]C[4]2Cl)	Si[4](C[4]C[4]HH)2(Cl)2{2|H<1>}	C[4](Si[4]C[4]Cl2)(C[4]C[4]HH)(H)2{2|H<1>}	Cl(Si[4]C[4]2Cl)	116.8628	2.322	4	116.8628	5.394	4	116.8628	5.394	4	116.8628	5.394	4	116.8628	5.394	4	114.6864	27.728	5
996	478	813	0:SP3_SP2_SP3	Si[4,6]	C[4]	N[5a,6]	3:3:4:4:	4:4:1:1:	4:3:3:	N[5a,6]-3:N[5a,6]-3:C[4]-4:C[4]-4:	Si[4,6]-4:C[4]-4:H-1:H-1:	Si[4,6]-4:C[5a,6]-3:C[5a]-3:	Si[4,6](N[5a,6]C[5a,6]C[5a])2(C[4]C[4]HH)2	C[4](Si[4,6]N[5a,6]2C[4])(C[4]C[4]HH)(H)2	N[5a,6](Si[4,6]N[5a,6]C[4]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	Si[4,6](N[5a,6]C[5a,6]C[5a])2(C[4]C[4]HH)2{2|C<4>,2|H<1>,5|C<3>}	C[4](Si[4,6]N[5a,6]2C[4])(C[4]C[4]HH)(H)2{2|H<1>,4|C<3>}	N[5a,6](Si[4,6]N[5a,6]C[4]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){3|C<3>,3|C<4>,4|H<1>}	118.6745	0.911	20	118.6745	0.831	20	118.6745	0.831	20	118.6745	0.831	20	118.6745	0.831	20	118.6745	0.831	20
996	478	846	4:SP3_SP2_SP3	Si[4]	C[4]	C[4]	4:3:2:4:	4:3:3:1:	4:3:1:	C[4]-4:C[4]-3:N-2:Si-4:	Si[4]-4:C[6a]-3:C[4]-3:H-1:	Si[4]-4:C[4]-3:H-1:	Si[4](C[4]C[6a]C[4]H)(C[4]C[4]H)(NC[5])(SiC3)	C[4](Si[4]C[4]SiN)(C[6a]C[6a]2)(C[4]C[4]H)(H)	C[4](Si[4]C[4]SiN)(C[4]C[4]H)(H)	Si[4](C[4]C[6a]C[4]H)(C[4]C[4]H)(NC[5])(SiC3){1|H<1>,2|C<3>}	C[4](Si[4]C[4]SiN)(C[6a]C[6a]2)(C[4]C[4]H)(H){2|C<3>,3|H<1>}	C[4](Si[4]C[4]SiN)(C[4]C[4]H)(H){1|C<3>,1|H<1>}	74.9298	0.000	1	74.9298	0.000	1	74.9298	0.000	1	74.9298	0.000	1	76.1976	1.266	3	76.1976	1.266	3
996	478	846	4:SP3_SP2_SP3	Si[4]	C[4]	C[4]	4:3:4:2:	4:4:3:4:	4:3:4:	C[4]-4:C[4]-3:Si-4:O-2:	C[3x6]-4:Si[4]-4:C[4]-3:Si-4:	Si[4]-4:C[4]-3:C-4:	Si[4](C[4]C[3x6]C[4]Si)(C[4]C[4]C)(SiC3)(OSi)	C[4](C[3x6]C[6,6]3)(Si[4]C[4]SiO)(C[4]C[4]H)(SiC3)	C[4](Si[4]C[4]SiO)(C[4]C[4]H)(CC3)	Si[4](C[4]C[3x6]C[4]Si)(C[4]C[4]C)(SiC3)(OSi){1|H<1>,3|C<4>}	C[4](C[3x6]C[6,6]3)(Si[4]C[4]SiO)(C[4]C[4]H)(SiC3){4|C<4>,6|H<1>}	C[4](Si[4]C[4]SiO)(C[4]C[4]H)(CC3){1|Si<4>,1|C<4>}	77.0769	0.000	1	77.0769	0.000	1	77.0769	0.000	1	77.0769	0.000	1	76.1976	1.266	3	76.1976	1.266	3
996	478	846	4:SP3_SP2_SP3	Si[4]	C[4]	C[4]	4:3:4:4:	4:3:3:3:	4:3:4:	C[4]-4:C[4]-3:C-4:C-4:	Si[4]-4:C[6a]-3:C[6a]-3:C[4]-3:	Si[4]-4:C[4]-3:C-4:	Si[4](C[4]C[6a]2C[4])(C[4]C[4]C)(CH3)2	C[4](Si[4]C[4]CC)(C[6a]C[6a]2)2(C[4]C[4]Si)	C[4](Si[4]C[4]CC)(C[4]C[4]Si)(CC3)	Si[4](C[4]C[6a]2C[4])(C[4]C[4]C)(CH3)2{1|Si<4>,4|C<3>}	C[4](Si[4]C[4]CC)(C[6a]C[6a]2)2(C[4]C[4]Si){1|C<4>,4|C<3>,4|H<1>}	C[4](Si[4]C[4]CC)(C[4]C[4]Si)(CC3){2|C<3>}	76.5860	0.000	1	76.5860	0.000	1	76.5860	0.000	1	76.5860	0.000	1	76.1976	1.266	3	76.1976	1.266	3
996	478	872	6:SP3_SP3_SP3	Si[4,6]	C[4,5,6]	Si[3,4,6]	4:4:3:1:	4:4:3:4:	4:4:4:3:	Si[3,4,6]-4:C[4,5,6]-4:N-3:Cl-1:	C[3,4,5]-4:Si[4,6]-4:C[5,6]-3:C-4:	C[3,4,5]-4:C[3,5,6]-4:Si[4,6]-4:N-3:	Si[4,6](Si[3,4,6]C[3,4,5]C[3,5,6]N)(C[4,5,6]C[3,4,5]C[5,6]C)(NSi2)(Cl)	C[4,5,6](C[3,4,5]Si[3,4,6]C[3,5,6]C)(Si[4,6]Si[3,4,6]ClN)(C[5,6]C[5,6]C)(CH3)	Si[3,4,6](C[3,4,5]C[3,5,6]C[4,5,6]C)(C[3,5,6]C[3,4,5]C[5,6]C)(Si[4,6]C[4,5,6]ClN)(NSi2)	Si[4,6](Si[3,4,6]C[3,4,5]C[3,5,6]N)(C[4,5,6]C[3,4,5]C[5,6]C)(NSi2)(Cl){1|C<3>,3|C<4>}	C[4,5,6](C[3,4,5]Si[3,4,6]C[3,5,6]C)(Si[4,6]Si[3,4,6]ClN)(C[5,6]C[5,6]C)(CH3){1|N<3>,2|C<4>}	Si[3,4,6](C[3,4,5]C[3,5,6]C[4,5,6]C)(C[3,5,6]C[3,4,5]C[5,6]C)(Si[4,6]C[4,5,6]ClN)(NSi2){1|C<3>,2|C<4>}	79.5268	0.000	1	79.5268	0.000	1	79.5268	0.000	1	79.5268	0.000	1	79.5268	0.000	1	79.5268	0.000	1
996	478	880	0:SP3_SP3_SP3	Si[4]	C[4]	Si	3:4:4:1:	3:4:4:4:	4:3:1:1:	C[4,6a]-3:C[4]-4:Si-4:H-1:	C[4,6a]-3:Si[4]-4:Si-4:Si-4:	Si[4]-4:C[6a]-3:H-1:H-1:	Si[4](C[4,6a]C[4,6a]C[6a])(C[4]C[4,6a]Si2)(SiC[6a]HH)(H)	C[4](C[4,6a]C[4,6a]C[6a])(Si[4]C[4,6a]SiH)(SiC3)2	Si(Si[4]C[4,6a]C[4]H)(C[6a]C[6a]2)(H)2	Si[4](C[4,6a]C[4,6a]C[6a])(C[4]C[4,6a]Si2)(SiC[6a]HH)(H){1|C<4>,2|C<3>}	C[4](C[4,6a]C[4,6a]C[6a])(Si[4]C[4,6a]SiH)(SiC3)2{1|H<1>,2|C<3>}	Si(Si[4]C[4,6a]C[4]H)(C[6a]C[6a]2)(H)2	126.0060	0.000	1	126.0060	0.000	1	126.0060	0.000	1	126.0060	0.000	1	116.7479	43.959	14	116.7479	43.959	14
996	478	880	0:SP3_SP3_SP3	Si[4]	C[4]	Si	4:3:2:4:	4:3:3:1:	4:4:4:4:	C[4]-4:C[4]-3:N-2:Si-4:	Si[4]-4:C[6a]-3:C[4]-3:H-1:	Si[4]-4:C-4:C-4:C-4:	Si[4](C[4]C[6a]C[4]H)(C[4]C[4]H)(NC[5])(SiC3)	C[4](Si[4]C[4]SiN)(C[6a]C[6a]2)(C[4]C[4]H)(H)	Si(Si[4]C[4]2N)(CC3)3	Si[4](C[4]C[6a]C[4]H)(C[4]C[4]H)(NC[5])(SiC3){1|H<1>,2|C<3>}	C[4](Si[4]C[4]SiN)(C[6a]C[6a]2)(C[4]C[4]H)(H){2|C<3>,3|H<1>}	Si(Si[4]C[4]2N)(CC3)3	124.4680	0.000	1	124.4680	0.000	1	124.4680	0.000	1	124.4680	0.000	1	116.7479	43.959	14	116.7479	43.959	14
996	478	880	0:SP3_SP3_SP3	Si[4]	C[4]	Si	4:3:4:2:	4:4:3:4:	4:4:4:4:	C[4]-4:C[4]-3:Si-4:O-2:	C[3x6]-4:Si[4]-4:C[4]-3:Si-4:	Si[4]-4:C-4:C-4:C-4:	Si[4](C[4]C[3x6]C[4]Si)(C[4]C[4]C)(SiC3)(OSi)	C[4](C[3x6]C[6,6]3)(Si[4]C[4]SiO)(C[4]C[4]H)(SiC3)	Si(Si[4]C[4]2O)(CH3)3	Si[4](C[4]C[3x6]C[4]Si)(C[4]C[4]C)(SiC3)(OSi){1|H<1>,3|C<4>}	C[4](C[3x6]C[6,6]3)(Si[4]C[4]SiO)(C[4]C[4]H)(SiC3){4|C<4>,6|H<1>}	Si(Si[4]C[4]2O)(CH3)3	125.2450	0.000	1	125.2450	0.000	1	125.2450	0.000	1	125.2450	0.000	1	116.7479	43.959	14	116.7479	43.959	14
996	478	880	0:SP3_SP3_SP3	Si[4]	C[4]	Si	4:4:4:1:	4:4:1:1:	4:4:4:4:	Si[4]-4:C[4]-4:Si-4:H-1:	Si[4]-4:C[4]-4:H-1:H-1:	Si[4]-4:Si-4:Si-4:Si-4:	Si[4](Si[4]C[4]CC)(C[4]C[4]HH)(SiSi3)(H)	C[4](Si[4]Si[4]SiH)(C[4]Si[4]CC)(H)2	Si(Si[4]Si[4]C[4]H)(SiC3)3	Si[4](Si[4]C[4]CC)(C[4]C[4]HH)(SiSi3)(H){2|C<4>}	C[4](Si[4]Si[4]SiH)(C[4]Si[4]CC)(H)2{2|C<4>}	Si(Si[4]Si[4]C[4]H)(SiC3)3	122.5440	0.000	1	122.5440	0.000	1	122.5440	0.000	1	122.5440	0.000	1	116.7479	43.959	14	116.7479	43.959	14
996	478	880	0:SP3_SP3_SP3	Si[4]	C[4]	Si	4:4:4:4:	4:2:1:1:	4:4:4:4:	C[4]-4:C[4]-4:Si-4:Si-4:	Si[4]-4:Se[4]-2:H-1:H-1:	Si[4]-4:C-4:C-4:C-4:	Si[4](C[4]Se[4]HH)2(SiC3)2	C[4](Si[4]C[4]Si2)(Se[4]C[4])(H)2	Si(Si[4]C[4]2Si)(CH3)3	Si[4](C[4]Se[4]HH)2(SiC3)2	C[4](Si[4]C[4]Si2)(Se[4]C[4])(H)2{2|H<1>}	Si(Si[4]C[4]2Si)(CH3)3	112.0170	0.304	2	112.0170	0.092	2	112.0170	0.092	2	112.0170	0.092	2	116.7479	43.959	14	116.7479	43.959	14
996	478	880	0:SP3_SP3_SP3	Si[4]	C[4]	Si	4:4:4:4:	4:4:1:1:	4:4:4:4:	C[4]-4:C[4]-4:Si-4:Si-4:	Si[4]-4:Si[4]-4:H-1:H-1:	Si[4]-4:C-4:C-4:C-4:	Si[4](C[4]Si[4]HH)2(SiC3)2	C[4](Si[4]C[4]Si2)(Si[4]C[4]CC)(H)2	Si(Si[4]C[4]2Si)(CH3)3	Si[4](C[4]Si[4]HH)2(SiC3)2{2|C<4>}	C[4](Si[4]C[4]Si2)(Si[4]C[4]CC)(H)2{2|H<1>}	Si(Si[4]C[4]2Si)(CH3)3	114.0217	5.556	8	114.0217	30.864	8	114.0217	30.864	8	114.0217	30.864	8	116.7479	43.959	14	116.7479	43.959	14
996	478	893	0:SP3_SP3_SP3	Si[4]	C[4]	O	4:3:4:2:	4:4:3:4:	4:4:	C[4]-4:C[4]-3:Si-4:O-2:	C[3x6]-4:Si[4]-4:C[4]-3:Si-4:	Si[4]-4:Si-4:	Si[4](C[4]C[3x6]C[4]Si)(C[4]C[4]C)(SiC3)(OSi)	C[4](C[3x6]C[6,6]3)(Si[4]C[4]SiO)(C[4]C[4]H)(SiC3)	O(Si[4]C[4]2Si)(SiC3)	Si[4](C[4]C[3x6]C[4]Si)(C[4]C[4]C)(SiC3)(OSi){1|H<1>,3|C<4>}	C[4](C[3x6]C[6,6]3)(Si[4]C[4]SiO)(C[4]C[4]H)(SiC3){4|C<4>,6|H<1>}	O(Si[4]C[4]2Si)(SiC3)	115.4280	0.000	1	115.4280	0.000	1	115.4280	0.000	1	115.4280	0.000	1	115.4280	0.000	1	115.4280	0.000	1
996	478	924	0:SP3_SP-NON_SP3	Si[4]	C[4,6]	Br	4:4:3:1:	3:4:4:1:	4:	C[4,6]-4:Si[4]-4:N-3:Br-1:	C[6,6a]-3:C[4,6]-4:Si[4]-4:H-1:	Si[4]-4:	Si[4](C[4,6]C[6,6a]C[4,6]H)(Si[4]C[4,6]BrN)(NC[6a]Si)(Br)	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,6]Si[4]C[6]H)(Si[4]Si[4]BrN)(H)	Br(Si[4]C[4,6]Si[4]N)	Si[4](C[4,6]C[6,6a]C[4,6]H)(Si[4]C[4,6]BrN)(NC[6a]Si)(Br){1|H<1>,3|C<3>}	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,6]Si[4]C[6]H)(Si[4]Si[4]BrN)(H){1|Br<1>,1|N<3>,2|H<1>,3|C<3>}	Br(Si[4]C[4,6]Si[4]N)	109.2460	0.000	1	109.2460	0.000	1	109.2460	0.000	1	109.2460	0.000	1	108.9820	0.139	2	108.9820	0.139	2
996	478	924	0:SP3_SP-NON_SP3	Si[4]	C[4,6]	Br	4:4:3:1:	4:4:3:1:	4:	C[4,6]-4:Si[4]-4:N-3:Br-1:	C[4,6]-4:Si[4]-4:C[6]-3:H-1:	Si[4]-4:	Si[4](C[4,6]C[4,6]C[6]H)(Si[4]C[4,6]BrN)(NC[6a]Si)(Br)	C[4,6](C[4,6]C[6,6a]Si[4]H)(Si[4]Si[4]BrN)(C[6]C[6]H)(H)	Br(Si[4]C[4,6]Si[4]N)	Si[4](C[4,6]C[4,6]C[6]H)(Si[4]C[4,6]BrN)(NC[6a]Si)(Br){2|C<3>,2|H<1>}	C[4,6](C[4,6]C[6,6a]Si[4]H)(Si[4]Si[4]BrN)(C[6]C[6]H)(H){1|Br<1>,1|H<1>,1|N<3>,2|C<3>}	Br(Si[4]C[4,6]Si[4]N)	108.7180	0.000	1	108.7180	0.000	1	108.7180	0.000	1	108.7180	0.000	1	108.9820	0.139	2	108.9820	0.139	2
996	478	930	0:SP3_SP2_SP3	Si[4]	C[4]	C	3:4:3:3:	3:4:4:4:	4:3:1:	C[4,6a]-3:C[4]-4:C[6a]-3:C-3:	C[4,6a]-3:Si[4]-4:C-4:C-4:	Si[4]-4:C-3:H-1:	Si[4](C[4,6a]C[4,6a]C[6a])(C[4]C[4,6a]CC)(C[6a]C[6a]2)(CCH)	C[4](C[4,6a]C[4,6a]C[6a])(Si[4]C[4,6a]C[6a]C)(CH3)2	C(Si[4]C[4,6a]C[6a]C[4])(CC[6a]C)(H)	Si[4](C[4,6a]C[4,6a]C[6a])(C[4]C[4,6a]CC)(C[6a]C[6a]2)(CCH){3|C<4>,4|C<3>}	C[4](C[4,6a]C[4,6a]C[6a])(Si[4]C[4,6a]C[6a]C)(CH3)2{1|H<1>,4|C<3>}	C(Si[4]C[4,6a]C[6a]C[4])(CC[6a]C)(H)	111.3790	0.000	1	111.3790	0.000	1	111.3790	0.000	1	111.3790	0.000	1	111.3790	0.000	1	111.3790	0.000	1
996	478	941	0:SP3_SP2_SP3	Si[4]	C[4]	N	4:3:2:4:	4:3:3:1:	4:3:	C[4]-4:C[4]-3:N-2:Si-4:	Si[4]-4:C[6a]-3:C[4]-3:H-1:	Si[4]-4:C[5]-3:	Si[4](C[4]C[6a]C[4]H)(C[4]C[4]H)(NC[5])(SiC3)	C[4](Si[4]C[4]SiN)(C[6a]C[6a]2)(C[4]C[4]H)(H)	N(Si[4]C[4]2Si)(C[5]N[5]2)	Si[4](C[4]C[6a]C[4]H)(C[4]C[4]H)(NC[5])(SiC3){1|H<1>,2|C<3>}	C[4](Si[4]C[4]SiN)(C[6a]C[6a]2)(C[4]C[4]H)(H){2|C<3>,3|H<1>}	N(Si[4]C[4]2Si)(C[5]N[5]2)	111.2280	0.000	1	111.2280	0.000	1	111.2280	0.000	1	111.2280	0.000	1	111.2280	0.000	1	111.2280	0.000	1
996	478	944	0:SP3_SP-NON_SP3	Si[4,5]	C[4,3x5]	I	4:4:1:1:	3:3:4:4:	4:	C[4,3x5]-4:C[4,5,5,6,6]-4:I-1:I-1:	P[4,5,5,6,6]-3:P[4,3x5,6]-3:Si[4,5]-4:C-4:	Si[4,5]-4:	Si[4,5](C[4,3x5]P[4,5,5,6,6]P[4,3x5,6]C)(C[4,5,5,6,6]P[4,5,5,6,6]2C)(I)2	C[4,3x5](P[4,5,5,6,6]C[4,5,5,6,6]P[5,5,6,6])(P[4,3x5,6]P[4,5,5,6,6]2)(Si[4,5]C[4,5,5,6,6]II)(CC3)	I(Si[4,5]C[4,5,5,6,6]C[4,3x5]I)	Si[4,5](C[4,3x5]P[4,5,5,6,6]P[4,3x5,6]C)(C[4,5,5,6,6]P[4,5,5,6,6]2C)(I)2{1|C<4>,2|P<3>}	C[4,3x5](P[4,5,5,6,6]C[4,5,5,6,6]P[5,5,6,6])(P[4,3x5,6]P[4,5,5,6,6]2)(Si[4,5]C[4,5,5,6,6]II)(CC3){1|C<3>,2|C<4>}	I(Si[4,5]C[4,5,5,6,6]C[4,3x5]I)	116.8165	0.846	4	116.8165	0.715	4	116.8165	0.715	4	116.8165	0.715	4	116.8165	0.715	4	117.1596	0.868	8
996	478	944	0:SP3_SP-NON_SP3	Si[4,5]	C[4,5,5,6,6]	I	4:4:1:1:	3:3:4:4:	4:	C[4,3x5]-4:C[4,5,5,6,6]-4:I-1:I-1:	P[4,5,5,6,6]-3:P[4,5,5,6,6]-3:Si[4,5]-4:C-4:	Si[4,5]-4:	Si[4,5](C[4,3x5]P[4,5,5,6,6]P[4,3x5,6]C)(C[4,5,5,6,6]P[4,5,5,6,6]2C)(I)2	C[4,5,5,6,6](P[4,5,5,6,6]P[4,3x5,6]C[4,5,6])(P[4,5,5,6,6]P[5,5,6,6]C[4,3x5])(Si[4,5]C[4,3x5]II)(CC3)	I(Si[4,5]C[4,5,5,6,6]C[4,3x5]I)	Si[4,5](C[4,3x5]P[4,5,5,6,6]P[4,3x5,6]C)(C[4,5,5,6,6]P[4,5,5,6,6]2C)(I)2{1|C<4>,2|P<3>}	C[4,5,5,6,6](P[4,5,5,6,6]P[4,3x5,6]C[4,5,6])(P[4,5,5,6,6]P[5,5,6,6]C[4,3x5])(Si[4,5]C[4,3x5]II)(CC3){1|C<3>,1|P<2>,1|P<3>,2|C<4>}	I(Si[4,5]C[4,5,5,6,6]C[4,3x5]I)	117.5027	0.998	4	117.5027	0.996	4	117.5027	0.996	4	117.5027	0.996	4	117.5027	0.996	4	117.1596	0.868	8
996	478	951	0:SP3_SP-NON_SP3	Si[4]	C[4]	H	3:4:4:1:	3:4:4:4:	4:	C[4,6a]-3:C[4]-4:Si-4:H-1:	C[4,6a]-3:Si[4]-4:Si-4:Si-4:	Si[4]-4:	Si[4](C[4,6a]C[4,6a]C[6a])(C[4]C[4,6a]Si2)(SiC[6a]HH)(H)	C[4](C[4,6a]C[4,6a]C[6a])(Si[4]C[4,6a]SiH)(SiC3)2	H(Si[4]C[4,6a]C[4]Si)	Si[4](C[4,6a]C[4,6a]C[6a])(C[4]C[4,6a]Si2)(SiC[6a]HH)(H){1|C<4>,2|C<3>}	C[4](C[4,6a]C[4,6a]C[6a])(Si[4]C[4,6a]SiH)(SiC3)2{1|H<1>,2|C<3>}	H(Si[4]C[4,6a]C[4]Si)	115.4640	0.000	1	115.4640	0.000	1	115.4640	0.000	1	115.4640	0.000	1	111.4140	32.805	2	111.4140	32.805	2
996	478	951	0:SP3_SP-NON_SP3	Si[4]	C[4]	H	4:4:4:1:	4:4:1:1:	4:	Si[4]-4:C[4]-4:Si-4:H-1:	Si[4]-4:C[4]-4:H-1:H-1:	Si[4]-4:	Si[4](Si[4]C[4]CC)(C[4]C[4]HH)(SiSi3)(H)	C[4](Si[4]Si[4]SiH)(C[4]Si[4]CC)(H)2	H(Si[4]Si[4]C[4]Si)	Si[4](Si[4]C[4]CC)(C[4]C[4]HH)(SiSi3)(H){2|C<4>}	C[4](Si[4]Si[4]SiH)(C[4]Si[4]CC)(H)2{2|C<4>}	H(Si[4]Si[4]C[4]Si)	107.3640	0.000	1	107.3640	0.000	1	107.3640	0.000	1	107.3640	0.000	1	111.4140	32.805	2	111.4140	32.805	2
996	478	956	0:SP3_SP2_SP3	Si[4,5]	C[4,5]	N	4:4:3:3:	4:4:3:4:	4:3:1:	C[4,5]-4:C[4,5]-4:N[5]-3:N-3:	Si[4,5]-4:C[4,5]-4:C[5]-3:C-4:	Si[4,5]-4:C[6a]-3:H-1:	Si[4,5](C[4,5]C[4,5]C[5]C)2(N[5]C[6a]C[5])(NC[6a]H)	C[4,5](Si[4,5]C[4,5]N[5]N)(C[4,5]C[4,5]C[5]C)(C[5]C[5]C)(CH3)	N(Si[4,5]C[4,5]2N[5])(C[6a]C[6a]2)(H)	Si[4,5](C[4,5]C[4,5]C[5]C)2(N[5]C[6a]C[5])(NC[6a]H){1|H<1>,2|C<4>,5|C<3>}	C[4,5](Si[4,5]C[4,5]N[5]N)(C[4,5]C[4,5]C[5]C)(C[5]C[5]C)(CH3){3|C<3>,3|C<4>}	N(Si[4,5]C[4,5]2N[5])(C[6a]C[6a]2)(H)	110.4510	0.000	1	110.4510	0.000	1	121.9185	263.007	2	121.9185	263.007	2	121.9185	263.007	2	120.5828	66.808	6
996	478	956	0:SP3_SP2_SP3	Si[4,5]	C[4,5]	N	4:4:3:3:	4:4:3:4:	4:3:1:	C[4,5]-4:C[4,5]-4:N[5]-3:N-3:	Si[4,5]-4:C[4,5]-4:C[5]-3:C-4:	Si[4,5]-4:C[6a]-3:H-1:	Si[4,5](C[4,5]C[4,5]C[5]C)2(N[5]C[6a]C[5])(NC[6a]H)	C[4,5](Si[4,5]C[4,5]N[5]N)(C[4,5]C[4,5]C[5]C)(C[5]C[5]H)(CH3)	N(Si[4,5]C[4,5]2N[5])(C[6a]C[6a]2)(H)	Si[4,5](C[4,5]C[4,5]C[5]C)2(N[5]C[6a]C[5])(NC[6a]H){1|H<1>,2|C<4>,5|C<3>}	C[4,5](Si[4,5]C[4,5]N[5]N)(C[4,5]C[4,5]C[5]C)(C[5]C[5]H)(CH3){3|C<3>,3|C<4>}	N(Si[4,5]C[4,5]2N[5])(C[6a]C[6a]2)(H)	133.3860	0.000	1	133.3860	0.000	1	121.9185	263.007	2	121.9185	263.007	2	121.9185	263.007	2	120.5828	66.808	6
996	478	956	0:SP3_SP2_SP3	Si[4,5]	C[4]	N	5:3:4:3:	4:2:3:3:	4:3:4:	Si[4,4,5]-5:C[5,6a]-3:C[4]-4:N-3:	Si[4,5]-4:O[4]-2:C[6a]-3:C[6a]-3:	Si[4,5]-4:C-3:C-4:	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)	C[4](Si[4,5]Si[4,4,5]C[5,6a]N)(O[4]Si[4,4,5])(C[6a]C[6a]2)2	N(Si[4,5]Si[4,4,5]C[5,6a]C[4])(CC[6a]N)(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){1|H<1>,2|C<4>,8|C<3>}	C[4](Si[4,5]Si[4,4,5]C[5,6a]N)(O[4]Si[4,4,5])(C[6a]C[6a]2)2{2|N<3>,4|H<1>,7|C<3>}	N(Si[4,5]Si[4,4,5]C[5,6a]C[4])(CC[6a]N)(CC3)	121.9790	0.000	1	121.9790	0.000	1	121.9790	0.000	1	121.9790	0.000	1	121.9790	0.000	1	120.5828	66.808	6
996	478	956	0:SP3_SP2_SP3	Si[4,6]	C[4,5,6]	N	4:4:3:1:	4:4:3:4:	4:4:4:	Si[3,4,6]-4:C[4,5,6]-4:N-3:Cl-1:	C[3,4,5]-4:Si[4,6]-4:C[5,6]-3:C-4:	Si[4,6]-4:Si-4:Si-4:	Si[4,6](Si[3,4,6]C[3,4,5]C[3,5,6]N)(C[4,5,6]C[3,4,5]C[5,6]C)(NSi2)(Cl)	C[4,5,6](C[3,4,5]Si[3,4,6]C[3,5,6]C)(Si[4,6]Si[3,4,6]ClN)(C[5,6]C[5,6]C)(CH3)	N(Si[4,6]Si[3,4,6]C[4,5,6]Cl)(SiC3)2	Si[4,6](Si[3,4,6]C[3,4,5]C[3,5,6]N)(C[4,5,6]C[3,4,5]C[5,6]C)(NSi2)(Cl){1|C<3>,3|C<4>}	C[4,5,6](C[3,4,5]Si[3,4,6]C[3,5,6]C)(Si[4,6]Si[3,4,6]ClN)(C[5,6]C[5,6]C)(CH3){1|N<3>,2|C<4>}	N(Si[4,6]Si[3,4,6]C[4,5,6]Cl)(SiC3)2	125.1000	0.000	1	125.1000	0.000	1	125.1000	0.000	1	125.1000	0.000	1	125.1000	0.000	1	120.5828	66.808	6
996	478	956	0:SP3_SP2_SP3	Si[4]	C[4,6]	N	4:4:3:1:	3:4:4:1:	4:3:4:	C[4,6]-4:Si[4]-4:N-3:Br-1:	C[6,6a]-3:C[4,6]-4:Si[4]-4:H-1:	Si[4]-4:C[6a]-3:Si-4:	Si[4](C[4,6]C[6,6a]C[4,6]H)(Si[4]C[4,6]BrN)(NC[6a]Si)(Br)	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,6]Si[4]C[6]H)(Si[4]Si[4]BrN)(H)	N(Si[4]C[4,6]Si[4]Br)(C[6a]C[6a]2)(SiC3)	Si[4](C[4,6]C[6,6a]C[4,6]H)(Si[4]C[4,6]BrN)(NC[6a]Si)(Br){1|H<1>,3|C<3>}	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,6]Si[4]C[6]H)(Si[4]Si[4]BrN)(H){1|Br<1>,1|N<3>,2|H<1>,3|C<3>}	N(Si[4]C[4,6]Si[4]Br)(C[6a]C[6a]2)(SiC3)	118.3230	0.000	1	118.3230	0.000	1	118.3230	0.000	1	118.3230	0.000	1	116.2905	8.262	2	120.5828	66.808	6
996	478	956	0:SP3_SP2_SP3	Si[4]	C[4,6]	N	4:4:3:1:	4:4:3:1:	4:3:4:	C[4,6]-4:Si[4]-4:N-3:Br-1:	C[4,6]-4:Si[4]-4:C[6]-3:H-1:	Si[4]-4:C[6a]-3:Si-4:	Si[4](C[4,6]C[4,6]C[6]H)(Si[4]C[4,6]BrN)(NC[6a]Si)(Br)	C[4,6](C[4,6]C[6,6a]Si[4]H)(Si[4]Si[4]BrN)(C[6]C[6]H)(H)	N(Si[4]C[4,6]Si[4]Br)(C[6a]C[6a]2)(SiC3)	Si[4](C[4,6]C[4,6]C[6]H)(Si[4]C[4,6]BrN)(NC[6a]Si)(Br){2|C<3>,2|H<1>}	C[4,6](C[4,6]C[6,6a]Si[4]H)(Si[4]Si[4]BrN)(C[6]C[6]H)(H){1|Br<1>,1|H<1>,1|N<3>,2|C<3>}	N(Si[4]C[4,6]Si[4]Br)(C[6a]C[6a]2)(SiC3)	114.2580	0.000	1	114.2580	0.000	1	114.2580	0.000	1	114.2580	0.000	1	116.2905	8.262	2	120.5828	66.808	6
996	478	980	4:SP3_SP3_SP3	Si[4]	C[4]	N[4]	4:4:4:4:	5:4:4:4:	5:4:4:4:	C[4]-4:N[4]-4:C-4:C-4:	Ga[4]-5:Si[4]-4:Si-4:Si-4:	Ga[4]-5:Si[4]-4:C-4:C-4:	Si[4](C[4]Ga[4]Si2)(N[4]Ga[4]CC)(CH3)2	C[4](Ga[4]C[5]2N[4]Fe)(Si[4]N[4]CC)(SiC3)2	N[4](Ga[4]C[4]C[5]2Fe)(Si[4]C[4]CC)(CH3)2	Si[4](C[4]Ga[4]Si2)(N[4]Ga[4]CC)(CH3)2{1|Fe<11>,2|C<4>}	C[4](Ga[4]C[5]2N[4]Fe)(Si[4]N[4]CC)(SiC3)2{6|C<4>}	N[4](Ga[4]C[4]C[5]2Fe)(Si[4]C[4]CC)(CH3)2{2|Si<4>,4|C<4>}	97.8735	0.000	1	97.8735	0.000	1	98.1840	0.048	4	98.1840	0.048	4	98.1840	0.048	4	98.1840	0.048	4
996	478	980	4:SP3_SP3_SP3	Si[4]	C[4]	N[4]	4:4:4:4:	5:4:4:4:	5:4:4:4:	C[4]-4:N[4]-4:C-4:C-4:	Ga[4]-5:Si[4]-4:Si-4:Si-4:	Ga[4]-5:Si[4]-4:C-4:C-4:	Si[4](C[4]Ga[4]Si2)(N[4]Ga[4]CC)(CH3)2	C[4](Ga[4]C[5]2N[4]Ru)(Si[4]N[4]CC)(SiC3)2	N[4](Ga[4]C[4]C[5]2Ru)(Si[4]C[4]CC)(CH3)2	Si[4](C[4]Ga[4]Si2)(N[4]Ga[4]CC)(CH3)2{1|Ru<11>,2|C<4>}	C[4](Ga[4]C[5]2N[4]Ru)(Si[4]N[4]CC)(SiC3)2{6|C<4>}	N[4](Ga[4]C[4]C[5]2Ru)(Si[4]C[4]CC)(CH3)2{2|Si<4>,4|C<4>}	98.1887	0.000	1	98.1887	0.000	1	98.1840	0.048	4	98.1840	0.048	4	98.1840	0.048	4	98.1840	0.048	4
996	478	980	4:SP3_SP3_SP3	Si[4]	C[4]	N[4]	4:4:4:4:	5:4:4:4:	5:4:4:4:	C[4]-4:N[4]-4:C-4:C-4:	Ga[4]-5:Si[4]-4:Si-4:Si-4:	Ga[4]-5:Si[4]-4:C-4:C-4:	Si[4](C[4]Ga[4]Si2)(N[4]Ga[4]CC)(CH3)2	C[4](Ga[4]C[6]2N[4]Cr)(Si[4]N[4]CC)(SiC3)2	N[4](Ga[4]C[4]C[6]2Cr)(Si[4]C[4]CC)(CH3)2	Si[4](C[4]Ga[4]Si2)(N[4]Ga[4]CC)(CH3)2{1|Cr<13>,2|C<4>}	C[4](Ga[4]C[6]2N[4]Cr)(Si[4]N[4]CC)(SiC3)2{6|C<4>}	N[4](Ga[4]C[4]C[6]2Cr)(Si[4]C[4]CC)(CH3)2{2|Si<4>,4|C<4>}	98.3198	0.000	1	98.3198	0.000	1	98.1840	0.048	4	98.1840	0.048	4	98.1840	0.048	4	98.1840	0.048	4
996	478	980	4:SP3_SP3_SP3	Si[4]	C[4]	N[4]	4:4:4:4:	5:4:4:4:	5:4:4:4:	C[4]-4:N[4]-4:C-4:C-4:	Ga[4]-5:Si[4]-4:Si-4:Si-4:	Ga[4]-5:Si[4]-4:C-4:C-4:	Si[4](C[4]Ga[4]Si2)(N[4]Ga[4]CC)(CH3)2	C[4](Ga[4]C[6]2N[4]V)(Si[4]N[4]CC)(SiC3)2	N[4](Ga[4]C[4]C[6]2V)(Si[4]C[4]CC)(CH3)2	Si[4](C[4]Ga[4]Si2)(N[4]Ga[4]CC)(CH3)2{1|V<13>,2|C<4>}	C[4](Ga[4]C[6]2N[4]V)(Si[4]N[4]CC)(SiC3)2{6|C<4>}	N[4](Ga[4]C[4]C[6]2V)(Si[4]C[4]CC)(CH3)2{2|Si<4>,4|C<4>}	98.3542	0.000	1	98.3542	0.000	1	98.1840	0.048	4	98.1840	0.048	4	98.1840	0.048	4	98.1840	0.048	4
996	478	996	4:SP3_SP3_SP3	Si[4]	C[4,6]	Si[4]	4:4:3:1:	3:4:4:1:	4:4:3:1:	C[4,6]-4:Si[4]-4:N-3:Br-1:	C[6,6a]-3:C[4,6]-4:Si[4]-4:H-1:	C[4,6]-4:Si[4]-4:N-3:Br-1:	Si[4](C[4,6]C[6,6a]C[4,6]H)(Si[4]C[4,6]BrN)(NC[6a]Si)(Br)	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,6]Si[4]C[6]H)(Si[4]Si[4]BrN)(H)	Si[4](C[4,6]C[4,6]C[6]H)(Si[4]C[4,6]BrN)(NC[6a]Si)(Br)	Si[4](C[4,6]C[6,6a]C[4,6]H)(Si[4]C[4,6]BrN)(NC[6a]Si)(Br){1|H<1>,3|C<3>}	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,6]Si[4]C[6]H)(Si[4]Si[4]BrN)(H){1|Br<1>,1|N<3>,2|H<1>,3|C<3>}	Si[4](C[4,6]C[4,6]C[6]H)(Si[4]C[4,6]BrN)(NC[6a]Si)(Br){2|C<3>,2|H<1>}	75.5334	0.000	1	75.5334	0.000	1	75.5334	0.000	1	75.5334	0.000	1	75.3451	0.071	2	75.8907	0.432	4
996	478	996	4:SP3_SP3_SP3	Si[4]	C[4,6]	Si[4]	4:4:3:1:	4:4:3:1:	4:4:3:1:	C[4,6]-4:Si[4]-4:N-3:Br-1:	C[4,6]-4:Si[4]-4:C[6]-3:H-1:	C[4,6]-4:Si[4]-4:N-3:Br-1:	Si[4](C[4,6]C[4,6]C[6]H)(Si[4]C[4,6]BrN)(NC[6a]Si)(Br)	C[4,6](C[4,6]C[6,6a]Si[4]H)(Si[4]Si[4]BrN)(C[6]C[6]H)(H)	Si[4](C[4,6]C[6,6a]C[4,6]H)(Si[4]C[4,6]BrN)(NC[6a]Si)(Br)	Si[4](C[4,6]C[4,6]C[6]H)(Si[4]C[4,6]BrN)(NC[6a]Si)(Br){2|C<3>,2|H<1>}	C[4,6](C[4,6]C[6,6a]Si[4]H)(Si[4]Si[4]BrN)(C[6]C[6]H)(H){1|Br<1>,1|H<1>,1|N<3>,2|C<3>}	Si[4](C[4,6]C[6,6a]C[4,6]H)(Si[4]C[4,6]BrN)(NC[6a]Si)(Br){1|H<1>,3|C<3>}	75.1567	0.000	1	75.1567	0.000	1	75.1567	0.000	1	75.1567	0.000	1	75.3451	0.071	2	75.8907	0.432	4
996	478	996	4:SP3_SP3_SP3	Si[4]	C[4]	Si[4]	4:4:4:1:	4:4:1:1:	4:4:4:4:	Si[4]-4:C[4]-4:Si-4:H-1:	Si[4]-4:C[4]-4:H-1:H-1:	Si[4]-4:C[4]-4:C-4:C-4:	Si[4](Si[4]C[4]CC)(C[4]C[4]HH)(SiSi3)(H)	C[4](Si[4]Si[4]SiH)(C[4]Si[4]CC)(H)2	Si[4](Si[4]C[4]SiH)(C[4]C[4]CC)(CC3)2	Si[4](Si[4]C[4]CC)(C[4]C[4]HH)(SiSi3)(H){2|C<4>}	C[4](Si[4]Si[4]SiH)(C[4]Si[4]CC)(H)2{2|C<4>}	Si[4](Si[4]C[4]SiH)(C[4]C[4]CC)(CC3)2{2|H<1>}	76.5695	0.000	1	76.5695	0.000	1	76.5695	0.000	1	76.5695	0.000	1	76.4363	0.035	2	75.8907	0.432	4
996	478	996	4:SP3_SP3_SP3	Si[4]	C[4]	Si[4]	4:4:4:4:	4:4:4:4:	4:4:4:1:	Si[4]-4:C[4]-4:C-4:C-4:	Si[4]-4:C[4]-4:C-4:C-4:	Si[4]-4:C[4]-4:Si-4:H-1:	Si[4](Si[4]C[4]SiH)(C[4]C[4]CC)(CC3)2	C[4](Si[4]Si[4]CC)(C[4]Si[4]HH)(CH3)2	Si[4](Si[4]C[4]CC)(C[4]C[4]HH)(SiSi3)(H)	Si[4](Si[4]C[4]SiH)(C[4]C[4]CC)(CC3)2{2|H<1>}	C[4](Si[4]Si[4]CC)(C[4]Si[4]HH)(CH3)2{1|Si<4>,1|H<1>}	Si[4](Si[4]C[4]CC)(C[4]C[4]HH)(SiSi3)(H){2|C<4>}	76.3031	0.000	1	76.3031	0.000	1	76.3031	0.000	1	76.3031	0.000	1	76.4363	0.035	2	75.8907	0.432	4
996	486	486	4:SP3_SP3_SP3	Si[4]	C[3,3,4,5]	C[3,3,4,5]	4:4:4:4:	12:4:4:4:	12:4:4:4:	C[3,3,4,5]-4:C[3,3,4,5]-4:C-4:C-4:	Nb[10x3,4]-12:C[3,3,5]-4:C[3,3,5]-4:Si[4]-4:	Nb[10x3,4]-12:C[3,3,5]-4:C[3,3,5]-4:Si[4]-4:	Si[4](C[3,3,4,5]Nb[10x3,4]C[3,3,5]2)2(CH3)2	C[3,3,4,5](Nb[10x3,4]C[3,3,4,5]C[3,3,5]8ClN)(C[3,3,5]Nb[10x3,4]C[3,3,5]C)2(Si[4]C[3,3,4,5]CC)	C[3,3,4,5](Nb[10x3,4]C[3,3,4,5]C[3,3,5]8ClN)(C[3,3,5]Nb[10x3,4]C[3,3,5]H)2(Si[4]C[3,3,4,5]CC)	Si[4](C[3,3,4,5]Nb[10x3,4]C[3,3,5]2)2(CH3)2{1|Cl<1>,1|N<2>,2|H<1>,6|C<4>}	C[3,3,4,5](Nb[10x3,4]C[3,3,4,5]C[3,3,5]8ClN)(C[3,3,5]Nb[10x3,4]C[3,3,5]C)2(Si[4]C[3,3,4,5]CC){3|C<4>,3|H<1>}	C[3,3,4,5](Nb[10x3,4]C[3,3,4,5]C[3,3,5]8ClN)(C[3,3,5]Nb[10x3,4]C[3,3,5]H)2(Si[4]C[3,3,4,5]CC){1|H<1>,5|C<4>}	93.8192	0.539	3	93.8192	0.291	3	93.8192	0.291	3	93.8192	0.291	3	93.8192	0.291	3	93.8192	0.291	3
996	486	490	0:SP3_SP3_SP3	Si[4]	C[3,3,4,5]	C	4:3:4:4:	10:4:4:4:	4:1:1:1:	C[3,3,4,5]-4:N[4,6]-3:C-4:C-4:	Nb[5x3,4,6]-10:C[3,3,5]-4:C[3,3,5]-4:Si[4]-4:	Si[4]-4:H-1:H-1:H-1:	Si[4](C[3,3,4,5]Nb[5x3,4,6]C[3,3,5]2)(N[4,6]Nb[5x3,4,6]C[6])(CH3)2	C[3,3,4,5](Nb[5x3,4,6]C[3,3,5]4N[4,6]N[6]Cl3)(C[3,3,5]Nb[5x3,4,6]C[3,3,5]H)2(Si[4]N[4,6]CC)	C(Si[4]C[3,3,4,5]N[4,6]C)(H)3	Si[4](C[3,3,4,5]Nb[5x3,4,6]C[3,3,5]2)(N[4,6]Nb[5x3,4,6]C[6])(CH3)2{3|Cl<1>,1|N<4>,3|C<4>,4|H<1>}	C[3,3,4,5](Nb[5x3,4,6]C[3,3,5]4N[4,6]N[6]Cl3)(C[3,3,5]Nb[5x3,4,6]C[3,3,5]H)2(Si[4]N[4,6]CC){2|C<4>,4|H<1>}	C(Si[4]C[3,3,4,5]N[4,6]C)(H)3	112.6220	1.162	2	112.6220	1.351	2	112.6220	1.351	2	112.6220	1.351	2	113.3211	2.978	14	113.3211	2.978	14
996	486	490	0:SP3_SP3_SP3	Si[4]	C[3,3,4,5]	C	4:4:4:4:	12:4:4:4:	4:1:1:1:	C[3,3,4,5]-4:C[3,3,4,5]-4:C-4:C-4:	Nb[10x3,4]-12:C[3,3,5]-4:C[3,3,5]-4:Si[4]-4:	Si[4]-4:H-1:H-1:H-1:	Si[4](C[3,3,4,5]Nb[10x3,4]C[3,3,5]2)2(CH3)2	C[3,3,4,5](Nb[10x3,4]C[3,3,4,5]C[3,3,5]8ClN)(C[3,3,5]Nb[10x3,4]C[3,3,5]C)2(Si[4]C[3,3,4,5]CC)	C(Si[4]C[3,3,4,5]2C)(H)3	Si[4](C[3,3,4,5]Nb[10x3,4]C[3,3,5]2)2(CH3)2{1|Cl<1>,1|N<2>,2|H<1>,6|C<4>}	C[3,3,4,5](Nb[10x3,4]C[3,3,4,5]C[3,3,5]8ClN)(C[3,3,5]Nb[10x3,4]C[3,3,5]C)2(Si[4]C[3,3,4,5]CC){3|C<4>,3|H<1>}	C(Si[4]C[3,3,4,5]2C)(H)3	115.1020	0.575	6	115.1020	0.330	6	113.4377	3.292	12	113.4377	3.292	12	113.3211	2.978	14	113.3211	2.978	14
996	486	490	0:SP3_SP3_SP3	Si[4]	C[3,3,4,5]	C	4:4:4:4:	12:4:4:4:	4:1:1:1:	C[3,3,4,5]-4:C[3,3,4,5]-4:C-4:C-4:	Nb[10x3,4]-12:C[3,3,5]-4:C[3,3,5]-4:Si[4]-4:	Si[4]-4:H-1:H-1:H-1:	Si[4](C[3,3,4,5]Nb[10x3,4]C[3,3,5]2)2(CH3)2	C[3,3,4,5](Nb[10x3,4]C[3,3,4,5]C[3,3,5]8ClN)(C[3,3,5]Nb[10x3,4]C[3,3,5]H)2(Si[4]C[3,3,4,5]CC)	C(Si[4]C[3,3,4,5]2C)(H)3	Si[4](C[3,3,4,5]Nb[10x3,4]C[3,3,5]2)2(CH3)2{1|Cl<1>,1|N<2>,2|H<1>,6|C<4>}	C[3,3,4,5](Nb[10x3,4]C[3,3,4,5]C[3,3,5]8ClN)(C[3,3,5]Nb[10x3,4]C[3,3,5]H)2(Si[4]C[3,3,4,5]CC){1|H<1>,5|C<4>}	C(Si[4]C[3,3,4,5]2C)(H)3	111.7733	0.515	6	111.7733	0.265	6	113.4377	3.292	12	113.4377	3.292	12	113.3211	2.978	14	113.3211	2.978	14
996	486	742	6:SP3_SP3_SP3	Si[4,5,6,6]	C[3,3,3x5,8x6]	B[4,5,6,6]	4:4:3:3:	6:6:6:4:	5:4:4:1:	C[3,3,3x5,8x6]-4:B[4,5,6,6]-4:N[4]-3:N[4]-3:	B[4x3,5x5,20x6]-6:B[4x3,6x5,18x6]-6:B[5x3,3x5,12x6]-6:Si[4,5,6,6]-4:	B[3x3,4,5x5,14x6]-5:Si[4,4,6]-4:Si[4,5,6,6]-4:H-1:	Si[4,5,6,6](C[3,3,3x5,8x6]B[4x3,5x5,20x6]B[4x3,6x5,18x6]B[5x3,3x5,12x6])(B[4,5,6,6]B[3x3,4,5x5,14x6]Si[4,4,6]H)(N[4]C[4]C)2	C[3,3,3x5,8x6](B[4x3,5x5,20x6]C[3x3,4,4x5,15x6]B[5x3,3x5,12x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]H)(B[4x3,6x5,18x6]B[3x3,4,5x5,14x6]B[5x3,3x5,12x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]H)(B[5x3,3x5,12x6]B[4x3,5x5,20x6]B[4x3,6x5,18x6]B[5x3,4x5,12x6]2H)(Si[4,5,6,6]B[4,5,6,6]N[4]2)	B[4,5,6,6](B[3x3,4,5x5,14x6]C[3x3,4,4x5,15x6]B[4x3,6x5,18x6]B[5x3,3x5,14x6]B[5x3,3x5,15x6])(Si[4,4,6]C[3x3,4,4x5,15x6]N[4]2)(Si[4,5,6,6]C[3,3,3x5,8x6]N[4]2)(H)	Si[4,5,6,6](C[3,3,3x5,8x6]B[4x3,5x5,20x6]B[4x3,6x5,18x6]B[5x3,3x5,12x6])(B[4,5,6,6]B[3x3,4,5x5,14x6]Si[4,4,6]H)(N[4]C[4]C)2{1|C<3>,1|C<5>,2|N<3>,3|H<1>,5|B<6>}	C[3,3,3x5,8x6](B[4x3,5x5,20x6]C[3x3,4,4x5,15x6]B[5x3,3x5,12x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]H)(B[4x3,6x5,18x6]B[3x3,4,5x5,14x6]B[5x3,3x5,12x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]H)(B[5x3,3x5,12x6]B[4x3,5x5,20x6]B[4x3,6x5,18x6]B[5x3,4x5,12x6]2H)(Si[4,5,6,6]B[4,5,6,6]N[4]2){1|Si<4>,1|C<3>,2|B<6>,2|C<4>,5|H<1>}	B[4,5,6,6](B[3x3,4,5x5,14x6]C[3x3,4,4x5,15x6]B[4x3,6x5,18x6]B[5x3,3x5,14x6]B[5x3,3x5,15x6])(Si[4,4,6]C[3x3,4,4x5,15x6]N[4]2)(Si[4,5,6,6]C[3,3,3x5,8x6]N[4]2)(H){2|C<3>,3|H<1>,4|C<4>,5|B<6>}	98.6078	0.000	1	98.6078	0.000	1	98.6078	0.000	1	98.6078	0.000	1	98.6078	0.000	1	98.6078	0.000	1
996	490	490	0:SP3_SP3_SP3	Si[4,4]	C	C	4:3:4:4:	4:4:4:1:	4:4:4:1:	Si[3x4]-4:P[3x4]-3:C-4:C-4:	Si[4,4]-4:C-4:C-4:H-1:	Si[4,4]-4:C-4:C-4:H-1:	Si[4,4](Si[3x4]Si[4,4]2C[6a])(P[3x4]Si[4,4]2)(CCCH)2	C(Si[4,4]Si[3x4]P[3x4]C)(CH3)2(H)	C(Si[4,4]Si[3x4]P[3x4]C)(CH3)2(H)	Si[4,4](Si[3x4]Si[4,4]2C[6a])(P[3x4]Si[4,4]2)(CCCH)2{2|C<3>,4|C<4>}	C(Si[4,4]Si[3x4]P[3x4]C)(CH3)2(H)	C(Si[4,4]Si[3x4]P[3x4]C)(CH3)2(H)	109.7237	0.460	3	109.7237	0.212	3	109.7237	0.212	3	109.7237	0.212	3	110.5042	2.578	4	108.8342	6.768	86
996	490	490	0:SP3_SP3_SP3	Si[4,4]	C	C	4:4:4:4:	4:4:4:4:	4:4:4:4:	Ge[3,4,4]-4:Ge[3,4,4]-4:C-4:C-4:	Si[4,4]-4:C-4:C-4:C-4:	Si[4,4]-4:C-4:C-4:C-4:	Si[4,4](Ge[3,4,4]Ge[3,3,4]2Si)2(CC3)2	C(Si[4,4]Ge[3,4,4]2C)(CH3)3	C(Si[4,4]Ge[3,4,4]2C)(CH3)3	Si[4,4](Ge[3,4,4]Ge[3,3,4]2Si)2(CC3)2{2|Si<4>}	C(Si[4,4]Ge[3,4,4]2C)(CH3)3	C(Si[4,4]Ge[3,4,4]2C)(CH3)3	112.8460	0.000	1	112.8460	0.000	1	112.8460	0.000	1	112.8460	0.000	1	110.5042	2.578	4	108.8342	6.768	86
996	490	490	0:SP3_SP3_SP3	Si[4]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[4]-3:C[4]-3:C-4:C-4:	Si[4]-4:H-1:H-1:H-1:	Si[4]-4:H-1:H-1:H-1:	Si[4](C[4]C[4]C)2(CH3)2	C(Si[4]C[4]2C)(H)3	C(Si[4]C[4]2C)(H)3	Si[4](C[4]C[4]C)2(CH3)2{1|Ti<12>}	C(Si[4]C[4]2C)(H)3	C(Si[4]C[4]2C)(H)3	107.1760	0.000	1	107.1760	0.000	1	107.6100	4.522	4	108.2637	3.288	35	108.7528	6.862	82	108.8342	6.768	86
996	490	490	0:SP3_SP3_SP3	Si[4]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[4]-3:C[4]-3:C-4:C-4:	Si[4]-4:H-1:H-1:H-1:	Si[4]-4:H-1:H-1:H-1:	Si[4](C[4]C[4]Si)(C[4]C[4]C)(CH3)2	C(Si[4]C[4]2C)(H)3	C(Si[4]C[4]2C)(H)3	Si[4](C[4]C[4]Si)(C[4]C[4]C)(CH3)2{1|Ti<11>}	C(Si[4]C[4]2C)(H)3	C(Si[4]C[4]2C)(H)3	106.2670	0.192	2	106.2670	0.037	2	107.6100	4.522	4	108.2637	3.288	35	108.7528	6.862	82	108.8342	6.768	86
996	490	490	0:SP3_SP3_SP3	Si[4]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[4]-3:C[4]-3:C-4:C-4:	Si[4]-4:H-1:H-1:H-1:	Si[4]-4:H-1:H-1:H-1:	Si[4](C[4]C[6a]C[4])(C[4]C[4]C)(CH3)2	C(Si[4]C[4]2C)(H)3	C(Si[4]C[4]2C)(H)3	Si[4](C[4]C[6a]C[4])(C[4]C[4]C)(CH3)2{1|H<1>,2|C<3>}	C(Si[4]C[4]2C)(H)3	C(Si[4]C[4]2C)(H)3	110.7300	0.000	1	110.7300	0.000	1	107.6100	4.522	4	108.2637	3.288	35	108.7528	6.862	82	108.8342	6.768	86
996	490	490	0:SP3_SP3_SP3	Si[4]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	N[4]-3:N[4]-3:C-4:C-4:	Si[4]-4:H-1:H-1:H-1:	Si[4]-4:H-1:H-1:H-1:	Si[4](N[4]C[6a]Si[4])2(CH3)2	C(Si[4]N[4]2C)(H)3	C(Si[4]N[4]2C)(H)3	Si[4](N[4]C[6a]Si[4])2(CH3)2{2|C<3>,2|C<4>,2|N<2>}	C(Si[4]N[4]2C)(H)3	C(Si[4]N[4]2C)(H)3	111.5870	0.000	1	108.6695	4.406	4	108.3481	3.210	31	108.2637	3.288	35	108.7528	6.862	82	108.8342	6.768	86
996	490	490	0:SP3_SP3_SP3	Si[4]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	N[4]-3:N[4]-3:C-4:C-4:	Si[4]-4:H-1:H-1:H-1:	Si[4]-4:H-1:H-1:H-1:	Si[4](N[4]C[6a]Si[4])2(CH3)2	C(Si[4]N[4]2C)(H)3	C(Si[4]N[4]2C)(H)3	Si[4](N[4]C[6a]Si[4])2(CH3)2{2|C<4>,4|C<3>}	C(Si[4]N[4]2C)(H)3	C(Si[4]N[4]2C)(H)3	106.5900	0.000	1	108.6695	4.406	4	108.3481	3.210	31	108.2637	3.288	35	108.7528	6.862	82	108.8342	6.768	86
996	490	490	0:SP3_SP3_SP3	Si[4]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	N[4]-3:N[4]-3:C-4:C-4:	Si[4]-4:H-1:H-1:H-1:	Si[4]-4:H-1:H-1:H-1:	Si[4](N[4]C[6a]Si[4])2(CH3)2	C(Si[4]N[4]2C)(H)3	C(Si[4]N[4]2C)(H)3	Si[4](N[4]C[6a]Si[4])2(CH3)2{5|C<3>}	C(Si[4]N[4]2C)(H)3	C(Si[4]N[4]2C)(H)3	108.2505	0.179	2	108.6695	4.406	4	108.3481	3.210	31	108.2637	3.288	35	108.7528	6.862	82	108.8342	6.768	86
996	490	490	0:SP3_SP3_SP3	Si[4]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	N[4]-3:N[4]-3:C-4:C-4:	Si[4]-4:H-1:H-1:H-1:	Si[4]-4:H-1:H-1:H-1:	Si[4](N[4]Ge[4]C)2(CH3)2	C(Si[4]N[4]2C)(H)3	C(Si[4]N[4]2C)(H)3	Si[4](N[4]Ge[4]C)2(CH3)2	C(Si[4]N[4]2C)(H)3	C(Si[4]N[4]2C)(H)3	108.2390	0.714	2	106.8367	1.741	12	108.3481	3.210	31	108.2637	3.288	35	108.7528	6.862	82	108.8342	6.768	86
996	490	490	0:SP3_SP3_SP3	Si[4]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	N[4]-3:N[4]-3:C-4:C-4:	Si[4]-4:H-1:H-1:H-1:	Si[4]-4:H-1:H-1:H-1:	Si[4](N[4]Ge[4]C)2(CH3)2	C(Si[4]N[4]2C)(H)3	C(Si[4]N[4]2C)(H)3	Si[4](N[4]Ge[4]C)2(CH3)2{1|Cl<1>,1|P<3>}	C(Si[4]N[4]2C)(H)3	C(Si[4]N[4]2C)(H)3	107.4263	0.485	3	106.8367	1.741	12	108.3481	3.210	31	108.2637	3.288	35	108.7528	6.862	82	108.8342	6.768	86
996	490	490	0:SP3_SP3_SP3	Si[4]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	N[4]-3:N[4]-3:C-4:C-4:	Si[4]-4:H-1:H-1:H-1:	Si[4]-4:H-1:H-1:H-1:	Si[4](N[4]Ge[4]C)2(CH3)2	C(Si[4]N[4]2C)(H)3	C(Si[4]N[4]2C)(H)3	Si[4](N[4]Ge[4]C)2(CH3)2{1|Ge<4>,1|Se<2>}	C(Si[4]N[4]2C)(H)3	C(Si[4]N[4]2C)(H)3	105.1665	0.278	4	106.8367	1.741	12	108.3481	3.210	31	108.2637	3.288	35	108.7528	6.862	82	108.8342	6.768	86
996	490	490	0:SP3_SP3_SP3	Si[4]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	N[4]-3:N[4]-3:C-4:C-4:	Si[4]-4:H-1:H-1:H-1:	Si[4]-4:H-1:H-1:H-1:	Si[4](N[4]Ge[4]C)2(CH3)2	C(Si[4]N[4]2C)(H)3	C(Si[4]N[4]2C)(H)3	Si[4](N[4]Ge[4]C)2(CH3)2{2|S<2>}	C(Si[4]N[4]2C)(H)3	C(Si[4]N[4]2C)(H)3	107.9420	0.000	1	106.8367	1.741	12	108.3481	3.210	31	108.2637	3.288	35	108.7528	6.862	82	108.8342	6.768	86
996	490	490	0:SP3_SP3_SP3	Si[4]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	N[4]-3:N[4]-3:C-4:C-4:	Si[4]-4:H-1:H-1:H-1:	Si[4]-4:H-1:H-1:H-1:	Si[4](N[4]Ge[4]C)2(CH3)2	C(Si[4]N[4]2C)(H)3	C(Si[4]N[4]2C)(H)3	Si[4](N[4]Ge[4]C)2(CH3)2{2|Se<2>}	C(Si[4]N[4]2C)(H)3	C(Si[4]N[4]2C)(H)3	107.3375	0.286	2	106.8367	1.741	12	108.3481	3.210	31	108.2637	3.288	35	108.7528	6.862	82	108.8342	6.768	86
996	490	490	0:SP3_SP3_SP3	Si[4]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	N[4]-3:N[4]-3:C-4:C-4:	Si[4]-4:H-1:H-1:H-1:	Si[4]-4:H-1:H-1:H-1:	Si[4](N[4]Ge[4]C[5])(N[4]Ge[4]Si)(CH3)2	C(Si[4]N[4]2C)(H)3	C(Si[4]N[4]2C)(H)3	Si[4](N[4]Ge[4]C[5])(N[4]Ge[4]Si)(CH3)2{2|N<3>}	C(Si[4]N[4]2C)(H)3	C(Si[4]N[4]2C)(H)3	111.3440	0.000	1	111.3440	0.000	1	108.3481	3.210	31	108.2637	3.288	35	108.7528	6.862	82	108.8342	6.768	86
996	490	490	0:SP3_SP3_SP3	Si[4]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	N[4]-3:N[4]-3:C-4:C-4:	Si[4]-4:H-1:H-1:H-1:	Si[4]-4:H-1:H-1:H-1:	Si[4](N[4]P[4,6]C)2(CH3)2	C(Si[4]N[4]2C)(H)3	C(Si[4]N[4]2C)(H)3	Si[4](N[4]P[4,6]C)2(CH3)2{2|C<3>}	C(Si[4]N[4]2C)(H)3	C(Si[4]N[4]2C)(H)3	108.0930	0.000	1	108.0930	0.000	1	108.3481	3.210	31	108.2637	3.288	35	108.7528	6.862	82	108.8342	6.768	86
996	490	490	0:SP3_SP3_SP3	Si[4]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	N[4]-3:N[4]-3:C-4:C-4:	Si[4]-4:H-1:H-1:H-1:	Si[4]-4:H-1:H-1:H-1:	Si[4](N[4]P[4]C)2(CH3)2	C(Si[4]N[4]2C)(H)3	C(Si[4]N[4]2C)(H)3	Si[4](N[4]P[4]C)2(CH3)2{1|Al<5>,1|N<3>,1|S<2>}	C(Si[4]N[4]2C)(H)3	C(Si[4]N[4]2C)(H)3	110.0950	0.000	1	109.3418	0.949	12	108.3481	3.210	31	108.2637	3.288	35	108.7528	6.862	82	108.8342	6.768	86
996	490	490	0:SP3_SP3_SP3	Si[4]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	N[4]-3:N[4]-3:C-4:C-4:	Si[4]-4:H-1:H-1:H-1:	Si[4]-4:H-1:H-1:H-1:	Si[4](N[4]P[4]C)2(CH3)2	C(Si[4]N[4]2C)(H)3	C(Si[4]N[4]2C)(H)3	Si[4](N[4]P[4]C)2(CH3)2{1|C<4>}	C(Si[4]N[4]2C)(H)3	C(Si[4]N[4]2C)(H)3	108.7590	0.000	1	109.3418	0.949	12	108.3481	3.210	31	108.2637	3.288	35	108.7528	6.862	82	108.8342	6.768	86
996	490	490	0:SP3_SP3_SP3	Si[4]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	N[4]-3:N[4]-3:C-4:C-4:	Si[4]-4:H-1:H-1:H-1:	Si[4]-4:H-1:H-1:H-1:	Si[4](N[4]P[4]C)2(CH3)2	C(Si[4]N[4]2C)(H)3	C(Si[4]N[4]2C)(H)3	Si[4](N[4]P[4]C)2(CH3)2{1|N<2>,1|S<1>}	C(Si[4]N[4]2C)(H)3	C(Si[4]N[4]2C)(H)3	108.5640	0.000	1	109.3418	0.949	12	108.3481	3.210	31	108.2637	3.288	35	108.7528	6.862	82	108.8342	6.768	86
996	490	490	0:SP3_SP3_SP3	Si[4]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	N[4]-3:N[4]-3:C-4:C-4:	Si[4]-4:H-1:H-1:H-1:	Si[4]-4:H-1:H-1:H-1:	Si[4](N[4]P[4]C)2(CH3)2	C(Si[4]N[4]2C)(H)3	C(Si[4]N[4]2C)(H)3	Si[4](N[4]P[4]C)2(CH3)2{1|N<3>,1|O<1>}	C(Si[4]N[4]2C)(H)3	C(Si[4]N[4]2C)(H)3	108.3580	0.000	1	109.3418	0.949	12	108.3481	3.210	31	108.2637	3.288	35	108.7528	6.862	82	108.8342	6.768	86
996	490	490	0:SP3_SP3_SP3	Si[4]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	N[4]-3:N[4]-3:C-4:C-4:	Si[4]-4:H-1:H-1:H-1:	Si[4]-4:H-1:H-1:H-1:	Si[4](N[4]P[4]C)2(CH3)2	C(Si[4]N[4]2C)(H)3	C(Si[4]N[4]2C)(H)3	Si[4](N[4]P[4]C)2(CH3)2{1|Ni<4>,1|C<4>}	C(Si[4]N[4]2C)(H)3	C(Si[4]N[4]2C)(H)3	110.0360	0.550	4	109.3418	0.949	12	108.3481	3.210	31	108.2637	3.288	35	108.7528	6.862	82	108.8342	6.768	86
996	490	490	0:SP3_SP3_SP3	Si[4]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	N[4]-3:N[4]-3:C-4:C-4:	Si[4]-4:H-1:H-1:H-1:	Si[4]-4:H-1:H-1:H-1:	Si[4](N[4]P[4]C)2(CH3)2	C(Si[4]N[4]2C)(H)3	C(Si[4]N[4]2C)(H)3	Si[4](N[4]P[4]C)2(CH3)2{1|Ni<4>,1|N<2>}	C(Si[4]N[4]2C)(H)3	C(Si[4]N[4]2C)(H)3	107.3340	0.000	1	109.3418	0.949	12	108.3481	3.210	31	108.2637	3.288	35	108.7528	6.862	82	108.8342	6.768	86
996	490	490	0:SP3_SP3_SP3	Si[4]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	N[4]-3:N[4]-3:C-4:C-4:	Si[4]-4:H-1:H-1:H-1:	Si[4]-4:H-1:H-1:H-1:	Si[4](N[4]P[4]C)2(CH3)2	C(Si[4]N[4]2C)(H)3	C(Si[4]N[4]2C)(H)3	Si[4](N[4]P[4]C)2(CH3)2{1|Ni<4>,1|N<3>}	C(Si[4]N[4]2C)(H)3	C(Si[4]N[4]2C)(H)3	109.7280	0.000	1	109.3418	0.949	12	108.3481	3.210	31	108.2637	3.288	35	108.7528	6.862	82	108.8342	6.768	86
996	490	490	0:SP3_SP3_SP3	Si[4]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	N[4]-3:N[4]-3:C-4:C-4:	Si[4]-4:H-1:H-1:H-1:	Si[4]-4:H-1:H-1:H-1:	Si[4](N[4]P[4]C)2(CH3)2	C(Si[4]N[4]2C)(H)3	C(Si[4]N[4]2C)(H)3	Si[4](N[4]P[4]C)2(CH3)2{1|Rh<6>,1|C<4>}	C(Si[4]N[4]2C)(H)3	C(Si[4]N[4]2C)(H)3	109.5595	0.921	2	109.3418	0.949	12	108.3481	3.210	31	108.2637	3.288	35	108.7528	6.862	82	108.8342	6.768	86
996	490	490	0:SP3_SP3_SP3	Si[4]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	N[4]-3:N[4]-3:C-4:C-4:	Si[4]-4:H-1:H-1:H-1:	Si[4]-4:H-1:H-1:H-1:	Si[4](N[4]Si[4]Si)2(CH3)2	C(Si[4]N[4]2C)(H)3	C(Si[4]N[4]2C)(H)3	Si[4](N[4]Si[4]Si)2(CH3)2{2|C<4>}	C(Si[4]N[4]2C)(H)3	C(Si[4]N[4]2C)(H)3	110.5340	0.000	1	110.5340	0.000	1	108.3481	3.210	31	108.2637	3.288	35	108.7528	6.862	82	108.8342	6.768	86
996	490	490	0:SP3_SP3_SP3	Si[4]	C	C	3:3:4:4:	4:4:4:1:	4:4:4:1:	N[4]-3:N[4]-3:C-4:C-4:	Si[4]-4:C-4:C-4:H-1:	Si[4]-4:C-4:C-4:H-1:	Si[4](N[4]C[6a]Ge[4])2(CCCH)2	C(Si[4]N[4]2C)(CH3)2(H)	C(Si[4]N[4]2C)(CH3)2(H)	Si[4](N[4]C[6a]Ge[4])2(CCCH)2{4|C<3>}	C(Si[4]N[4]2C)(CH3)2(H)	C(Si[4]N[4]2C)(CH3)2(H)	112.7080	0.000	1	112.7080	0.000	1	111.6175	2.378	2	111.6175	2.378	2	108.7528	6.862	82	108.8342	6.768	86
996	490	490	0:SP3_SP3_SP3	Si[4]	C	C	3:3:4:4:	4:4:4:1:	4:4:4:1:	N[4]-3:N[4]-3:C-4:C-4:	Si[4]-4:C-4:C-4:H-1:	Si[4]-4:C-4:C-4:H-1:	Si[4](N[4]Ge[4]Si)2(CCCH)2	C(Si[4]N[4]2C)(CH3)2(H)	C(Si[4]N[4]2C)(CH3)2(H)	Si[4](N[4]Ge[4]Si)2(CCCH)2	C(Si[4]N[4]2C)(CH3)2(H)	C(Si[4]N[4]2C)(CH3)2(H)	110.5270	0.000	1	110.5270	0.000	1	111.6175	2.378	2	111.6175	2.378	2	108.7528	6.862	82	108.8342	6.768	86
996	490	490	0:SP3_SP3_SP3	Si[4]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[4,6a]-3:Ge[4]-4:C-4:C-4:	Si[4]-4:H-1:H-1:H-1:	Si[4]-4:H-1:H-1:H-1:	Si[4](C[4,6a]C[4,6a]C[6a])(Ge[4]C[4,6a]C[6a]2)(CH3)2	C(Si[4]C[4,6a]Ge[4]C)(H)3	C(Si[4]C[4,6a]Ge[4]C)(H)3	Si[4](C[4,6a]C[4,6a]C[6a])(Ge[4]C[4,6a]C[6a]2)(CH3)2{1|H<1>,6|C<3>}	C(Si[4]C[4,6a]Ge[4]C)(H)3	C(Si[4]C[4,6a]Ge[4]C)(H)3	108.6740	0.000	1	108.6740	0.000	1	108.6740	0.000	1	109.4163	0.918	3	108.7528	6.862	82	108.8342	6.768	86
996	490	490	0:SP3_SP3_SP3	Si[4]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[4,6a]-3:Si[4]-4:C-4:C-4:	Si[4]-4:H-1:H-1:H-1:	Si[4]-4:H-1:H-1:H-1:	Si[4](C[4,6a]C[4,6a]C[6a])(Si[4]C[4,6a]CC)(CH3)2	C(Si[4]C[4,6a]Si[4]C)(H)3	C(Si[4]C[4,6a]Si[4]C)(H)3	Si[4](C[4,6a]C[4,6a]C[6a])(Si[4]C[4,6a]CC)(CH3)2{1|Si<4>,2|C<3>}	C(Si[4]C[4,6a]Si[4]C)(H)3	C(Si[4]C[4,6a]Si[4]C)(H)3	109.7875	1.005	2	109.7875	1.010	2	109.7875	1.010	2	109.4163	0.918	3	108.7528	6.862	82	108.8342	6.768	86
996	490	490	0:SP3_SP3_SP3	Si[4]	C	C	3:4:4:4:	4:4:4:4:	4:1:1:1:	N[4,6]-3:C[4]-4:C-4:C-4:	Si[4]-4:C-4:C-4:C-4:	Si[4]-4:H-1:H-1:H-1:	Si[4](N[4,6]C[4,6]C[6])(C[4]C[4,6]HH)(CC3)(CH3)	C(Si[4]N[4,6]C[4]C)(CH3)3	C(Si[4]N[4,6]C[4]C)(H)3	Si[4](N[4,6]C[4,6]C[6])(C[4]C[4,6]HH)(CC3)(CH3){1|C<4>,2|C<3>}	C(Si[4]N[4,6]C[4]C)(CH3)3	C(Si[4]N[4,6]C[4]C)(H)3	116.0790	0.000	1	116.0790	0.000	1	116.0790	0.000	1	116.0790	0.000	1	108.7528	6.862	82	108.8342	6.768	86
996	490	490	0:SP3_SP3_SP3	Si[4]	C	C	3:4:4:4:	4:4:4:4:	4:4:4:4:	C[4,6]-3:Si[4]-4:C-4:C-4:	Si[4]-4:C-4:C-4:C-4:	Si[4]-4:C-4:C-4:C-4:	Si[4](C[4,6]C[4,6]C[5,6])(Si[4]C[4,6]CC)(CC3)2	C(Si[4]C[4,6]Si[4]C)(CH3)3	C(Si[4]C[4,6]Si[4]C)(CH3)3	Si[4](C[4,6]C[4,6]C[5,6])(Si[4]C[4,6]CC)(CC3)2{1|N<3>,2|C<3>}	C(Si[4]C[4,6]Si[4]C)(CH3)3	C(Si[4]C[4,6]Si[4]C)(CH3)3	109.6040	0.000	1	109.6040	0.000	1	109.8730	0.145	2	109.8730	0.145	2	108.7528	6.862	82	108.8342	6.768	86
996	490	490	0:SP3_SP3_SP3	Si[4]	C	C	3:4:4:4:	4:4:4:4:	4:4:4:4:	C[4,6]-3:Si[4]-4:C-4:C-4:	Si[4]-4:C-4:C-4:C-4:	Si[4]-4:C-4:C-4:C-4:	Si[4](C[4,6]C[4,6]C[6])(Si[4]C[4,6]CC)(CC3)2	C(Si[4]C[4,6]Si[4]C)(CH3)3	C(Si[4]C[4,6]Si[4]C)(CH3)3	Si[4](C[4,6]C[4,6]C[6])(Si[4]C[4,6]CC)(CC3)2{1|H<1>,2|C<3>}	C(Si[4]C[4,6]Si[4]C)(CH3)3	C(Si[4]C[4,6]Si[4]C)(CH3)3	110.1420	0.000	1	110.1420	0.000	1	109.8730	0.145	2	109.8730	0.145	2	108.7528	6.862	82	108.8342	6.768	86
996	490	490	0:SP3_SP3_SP3	Si[4]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[3,3,4,5]-4:N[4,6]-3:C-4:C-4:	Si[4]-4:H-1:H-1:H-1:	Si[4]-4:H-1:H-1:H-1:	Si[4](C[3,3,4,5]Nb[5x3,4,6]C[3,3,5]2)(N[4,6]Nb[5x3,4,6]C[6])(CH3)2	C(Si[4]C[3,3,4,5]N[4,6]C)(H)3	C(Si[4]C[3,3,4,5]N[4,6]C)(H)3	Si[4](C[3,3,4,5]Nb[5x3,4,6]C[3,3,5]2)(N[4,6]Nb[5x3,4,6]C[6])(CH3)2{3|Cl<1>,1|N<4>,3|C<4>,4|H<1>}	C(Si[4]C[3,3,4,5]N[4,6]C)(H)3	C(Si[4]C[3,3,4,5]N[4,6]C)(H)3	114.3110	0.000	1	114.3110	0.000	1	114.3110	0.000	1	108.1781	12.910	7	108.7528	6.862	82	108.8342	6.768	86
996	490	490	0:SP3_SP3_SP3	Si[4]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[4]-4:C[4]-3:C-4:C-4:	Si[4]-4:H-1:H-1:H-1:	Si[4]-4:H-1:H-1:H-1:	Si[4](C[4]C[6a]2C[4])(C[4]C[4]C)(CH3)2	C(Si[4]C[4]2C)(H)3	C(Si[4]C[4]2C)(H)3	Si[4](C[4]C[6a]2C[4])(C[4]C[4]C)(CH3)2{1|Si<4>,4|C<3>}	C(Si[4]C[4]2C)(H)3	C(Si[4]C[4]2C)(H)3	108.8480	0.000	1	108.8480	0.000	1	108.8480	0.000	1	108.1781	12.910	7	108.7528	6.862	82	108.8342	6.768	86
996	490	490	0:SP3_SP3_SP3	Si[4]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[4]-4:N[4]-3:C-4:C-4:	Si[4]-4:H-1:H-1:H-1:	Si[4]-4:H-1:H-1:H-1:	Si[4](C[4]Si[4]HH)(N[4]Si[4]Si)(CH3)2	C(Si[4]C[4]N[4]C)(H)3	C(Si[4]C[4]N[4]C)(H)3	Si[4](C[4]Si[4]HH)(N[4]Si[4]Si)(CH3)2{2|Fe<8>}	C(Si[4]C[4]N[4]C)(H)3	C(Si[4]C[4]N[4]C)(H)3	109.3960	0.000	1	109.3960	0.000	1	109.3960	0.000	1	108.1781	12.910	7	108.7528	6.862	82	108.8342	6.768	86
996	490	490	0:SP3_SP3_SP3	Si[4]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	Ge[4,4]-4:C[4]-3:C-4:C-4:	Si[4]-4:H-1:H-1:H-1:	Si[4]-4:H-1:H-1:H-1:	Si[4](Ge[4,4]Ge[4]Si[4]C[4])(C[4]C[6a]C[4])(CH3)2	C(Si[4]Ge[4,4]C[4]C)(H)3	C(Si[4]Ge[4,4]C[4]C)(H)3	Si[4](Ge[4,4]Ge[4]Si[4]C[4])(C[4]C[6a]C[4])(CH3)2{1|Ge<4>,2|Si<4>,2|C<4>,3|C<3>}	C(Si[4]Ge[4,4]C[4]C)(H)3	C(Si[4]Ge[4,4]C[4]C)(H)3	108.6330	0.000	1	108.6330	0.000	1	108.5075	0.032	2	108.1781	12.910	7	108.7528	6.862	82	108.8342	6.768	86
996	490	490	0:SP3_SP3_SP3	Si[4]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	Ge[4,4]-4:C[4]-3:C-4:C-4:	Si[4]-4:H-1:H-1:H-1:	Si[4]-4:H-1:H-1:H-1:	Si[4](Ge[4,4]Si[4]2C[4])(C[4]C[6a]C[4])(CH3)2	C(Si[4]Ge[4,4]C[4]C)(H)3	C(Si[4]Ge[4,4]C[4]C)(H)3	Si[4](Ge[4,4]Si[4]2C[4])(C[4]C[6a]C[4])(CH3)2{3|Si<4>,2|C<4>,3|C<3>}	C(Si[4]Ge[4,4]C[4]C)(H)3	C(Si[4]Ge[4,4]C[4]C)(H)3	108.3820	0.000	1	108.3820	0.000	1	108.5075	0.032	2	108.1781	12.910	7	108.7528	6.862	82	108.8342	6.768	86
996	490	490	0:SP3_SP3_SP3	Si[4]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	Si[4]-4:Si[4]-3:C-4:C-4:	Si[4]-4:H-1:H-1:H-1:	Si[4]-4:H-1:H-1:H-1:	Si[4](Si[4]Si[4]Si2)(Si[4]Si[4]Si)(CH3)2	C(Si[4]Si[4]2C)(H)3	C(Si[4]Si[4]2C)(H)3	Si[4](Si[4]Si[4]Si2)(Si[4]Si[4]Si)(CH3)2{2|C<4>}	C(Si[4]Si[4]2C)(H)3	C(Si[4]Si[4]2C)(H)3	103.8385	0.066	2	103.8385	0.004	2	103.8385	0.004	2	108.1781	12.910	7	108.7528	6.862	82	108.8342	6.768	86
996	490	490	0:SP3_SP3_SP3	Si[4]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3,3,4,5]-4:C[3,3,4,5]-4:C-4:C-4:	Si[4]-4:H-1:H-1:H-1:	Si[4]-4:H-1:H-1:H-1:	Si[4](C[3,3,4,5]Nb[10x3,4]C[3,3,5]2)2(CH3)2	C(Si[4]C[3,3,4,5]2C)(H)3	C(Si[4]C[3,3,4,5]2C)(H)3	Si[4](C[3,3,4,5]Nb[10x3,4]C[3,3,5]2)2(CH3)2{1|Cl<1>,1|N<2>,2|H<1>,6|C<4>}	C(Si[4]C[3,3,4,5]2C)(H)3	C(Si[4]C[3,3,4,5]2C)(H)3	108.6610	0.502	3	108.6610	0.252	3	108.6610	0.252	3	105.9402	4.186	13	108.7528	6.862	82	108.8342	6.768	86
996	490	490	0:SP3_SP3_SP3	Si[4]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[4]-4:N[4]-4:C-4:C-4:	Si[4]-4:H-1:H-1:H-1:	Si[4]-4:H-1:H-1:H-1:	Si[4](C[4]Ga[4]Si2)(N[4]Ga[4]CC)(CH3)2	C(Si[4]C[4]N[4]C)(H)3	C(Si[4]C[4]N[4]C)(H)3	Si[4](C[4]Ga[4]Si2)(N[4]Ga[4]CC)(CH3)2{1|Cr<13>,2|C<4>}	C(Si[4]C[4]N[4]C)(H)3	C(Si[4]C[4]N[4]C)(H)3	104.0650	0.000	1	103.9213	0.188	4	103.9213	0.188	4	105.9402	4.186	13	108.7528	6.862	82	108.8342	6.768	86
996	490	490	0:SP3_SP3_SP3	Si[4]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[4]-4:N[4]-4:C-4:C-4:	Si[4]-4:H-1:H-1:H-1:	Si[4]-4:H-1:H-1:H-1:	Si[4](C[4]Ga[4]Si2)(N[4]Ga[4]CC)(CH3)2	C(Si[4]C[4]N[4]C)(H)3	C(Si[4]C[4]N[4]C)(H)3	Si[4](C[4]Ga[4]Si2)(N[4]Ga[4]CC)(CH3)2{1|Fe<11>,2|C<4>}	C(Si[4]C[4]N[4]C)(H)3	C(Si[4]C[4]N[4]C)(H)3	103.6300	0.000	1	103.9213	0.188	4	103.9213	0.188	4	105.9402	4.186	13	108.7528	6.862	82	108.8342	6.768	86
996	490	490	0:SP3_SP3_SP3	Si[4]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[4]-4:N[4]-4:C-4:C-4:	Si[4]-4:H-1:H-1:H-1:	Si[4]-4:H-1:H-1:H-1:	Si[4](C[4]Ga[4]Si2)(N[4]Ga[4]CC)(CH3)2	C(Si[4]C[4]N[4]C)(H)3	C(Si[4]C[4]N[4]C)(H)3	Si[4](C[4]Ga[4]Si2)(N[4]Ga[4]CC)(CH3)2{1|Ru<11>,2|C<4>}	C(Si[4]C[4]N[4]C)(H)3	C(Si[4]C[4]N[4]C)(H)3	103.5220	0.000	1	103.9213	0.188	4	103.9213	0.188	4	105.9402	4.186	13	108.7528	6.862	82	108.8342	6.768	86
996	490	490	0:SP3_SP3_SP3	Si[4]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[4]-4:N[4]-4:C-4:C-4:	Si[4]-4:H-1:H-1:H-1:	Si[4]-4:H-1:H-1:H-1:	Si[4](C[4]Ga[4]Si2)(N[4]Ga[4]CC)(CH3)2	C(Si[4]C[4]N[4]C)(H)3	C(Si[4]C[4]N[4]C)(H)3	Si[4](C[4]Ga[4]Si2)(N[4]Ga[4]CC)(CH3)2{1|V<13>,2|C<4>}	C(Si[4]C[4]N[4]C)(H)3	C(Si[4]C[4]N[4]C)(H)3	104.4680	0.000	1	103.9213	0.188	4	103.9213	0.188	4	105.9402	4.186	13	108.7528	6.862	82	108.8342	6.768	86
996	490	490	0:SP3_SP3_SP3	Si[4]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Ge[4,4]-4:Ge[4]-4:C-4:C-4:	Si[4]-4:H-1:H-1:H-1:	Si[4]-4:H-1:H-1:H-1:	Si[4](Ge[4,4]Ge[4]Si[4]C[4])(Ge[4]Ge[4]Si2)(CH3)2	C(Si[4]Ge[4,4]Ge[4]C)(H)3	C(Si[4]Ge[4,4]Ge[4]C)(H)3	Si[4](Ge[4,4]Ge[4]Si[4]C[4])(Ge[4]Ge[4]Si2)(CH3)2{2|Si<4>,2|C<3>,2|C<4>}	C(Si[4]Ge[4,4]Ge[4]C)(H)3	C(Si[4]Ge[4,4]Ge[4]C)(H)3	107.2850	0.000	1	107.2850	0.000	1	107.2850	0.000	1	105.9402	4.186	13	108.7528	6.862	82	108.8342	6.768	86
996	490	490	0:SP3_SP3_SP3	Si[4]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Ge[4,4]-4:Si[4]-4:C-4:C-4:	Si[4]-4:H-1:H-1:H-1:	Si[4]-4:H-1:H-1:H-1:	Si[4](Ge[4,4]Si[4]2C[4])(Si[4]Si[4]Si2)(CH3)2	C(Si[4]Ge[4,4]Si[4]C)(H)3	C(Si[4]Ge[4,4]Si[4]C)(H)3	Si[4](Ge[4,4]Si[4]2C[4])(Si[4]Si[4]Si2)(CH3)2{2|Si<4>,2|C<3>,2|C<4>}	C(Si[4]Ge[4,4]Si[4]C)(H)3	C(Si[4]Ge[4,4]Si[4]C)(H)3	107.6110	0.000	1	107.6110	0.000	1	107.6110	0.000	1	105.9402	4.186	13	108.7528	6.862	82	108.8342	6.768	86
996	490	490	0:SP3_SP3_SP3	Si[4]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Si[4]-4:Si[4]-4:C-4:C-4:	Si[4]-4:H-1:H-1:H-1:	Si[4]-4:H-1:H-1:H-1:	Si[4](Si[4]Ge[4]Si2)2(CH3)2	C(Si[4]Si[4]2C)(H)3	C(Si[4]Si[4]2C)(H)3	Si[4](Si[4]Ge[4]Si2)2(CH3)2{1|Ti<12>}	C(Si[4]Si[4]2C)(H)3	C(Si[4]Si[4]2C)(H)3	104.6755	1.247	2	104.6755	1.554	2	105.1647	1.214	4	105.9402	4.186	13	108.7528	6.862	82	108.8342	6.768	86
996	490	490	0:SP3_SP3_SP3	Si[4]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Si[4]-4:Si[4]-4:C-4:C-4:	Si[4]-4:H-1:H-1:H-1:	Si[4]-4:H-1:H-1:H-1:	Si[4](Si[4]Si[3,4]Si2)2(CH3)2	C(Si[4]Si[4]2C)(H)3	C(Si[4]Si[4]2C)(H)3	Si[4](Si[4]Si[3,4]Si2)2(CH3)2{2|Si<4>}	C(Si[4]Si[4]2C)(H)3	C(Si[4]Si[4]2C)(H)3	104.9020	0.000	1	104.9020	0.000	1	105.1647	1.214	4	105.9402	4.186	13	108.7528	6.862	82	108.8342	6.768	86
996	490	490	0:SP3_SP3_SP3	Si[4]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Si[4]-4:Si[4]-4:C-4:C-4:	Si[4]-4:H-1:H-1:H-1:	Si[4]-4:H-1:H-1:H-1:	Si[4](Si[4]Si[4]Si2)2(CH3)2	C(Si[4]Si[4]2C)(H)3	C(Si[4]Si[4]2C)(H)3	Si[4](Si[4]Si[4]Si2)2(CH3)2{2|C<4>}	C(Si[4]Si[4]2C)(H)3	C(Si[4]Si[4]2C)(H)3	106.4060	0.000	1	106.4060	0.000	1	105.1647	1.214	4	105.9402	4.186	13	108.7528	6.862	82	108.8342	6.768	86
996	490	490	0:SP3_SP3_SP3	Si[4]	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[4]-4:C[4]-4:C-4:C-4:	Si[4]-4:Si-4:H-1:H-1:	Si[4]-4:Si-4:H-1:H-1:	Si[4](C[4]Si[4]HH)2(CSiHH)2	C(Si[4]C[4]2C)(SiSi3)(H)2	C(Si[4]C[4]2C)(SiSi3)(H)2	Si[4](C[4]Si[4]HH)2(CSiHH)2{2|Si<4>}	C(Si[4]C[4]2C)(SiSi3)(H)2	C(Si[4]C[4]2C)(SiSi3)(H)2	108.8845	0.286	2	108.8845	0.082	2	108.8845	0.082	2	108.8845	0.082	2	108.7528	6.862	82	108.8342	6.768	86
996	490	490	0:SP3_SP3_SP3	Si[4]	C	C	4:4:4:4:	4:4:4:1:	4:4:4:1:	Si[4,4]-4:Si[4]-4:C-4:C-4:	Si[4]-4:C-4:C-4:H-1:	Si[4]-4:C-4:C-4:H-1:	Si[4](Si[4,4]Si[4,4]2C)(Si[4]Si[4,4]CC)(CCCH)2	C(Si[4]Si[4,4]Si[4]C)(CH3)2(H)	C(Si[4]Si[4,4]Si[4]C)(CH3)2(H)	Si[4](Si[4,4]Si[4,4]2C)(Si[4]Si[4,4]CC)(CCCH)2{2|Si<4>,2|C<4>}	C(Si[4]Si[4,4]Si[4]C)(CH3)2(H)	C(Si[4]Si[4,4]Si[4]C)(CH3)2(H)	111.2684	0.841	14	111.2684	0.707	14	111.2684	0.707	14	110.9824	1.883	15	108.7528	6.862	82	108.8342	6.768	86
996	490	490	0:SP3_SP3_SP3	Si[4]	C	C	4:4:4:4:	4:4:4:1:	4:4:4:1:	Si[4]-4:Si[4]-4:C-4:C-4:	Si[4]-4:C-4:C-4:H-1:	Si[4]-4:C-4:C-4:H-1:	Si[4](Si[4]Si[4]CC)2(CCCH)2	C(Si[4]Si[4]2C)(CH3)2(H)	C(Si[4]Si[4]2C)(CH3)2(H)	Si[4](Si[4]Si[4]CC)2(CCCH)2{2|C<3>}	C(Si[4]Si[4]2C)(CH3)2(H)	C(Si[4]Si[4]2C)(CH3)2(H)	106.9780	0.000	1	106.9780	0.000	1	106.9780	0.000	1	110.9824	1.883	15	108.7528	6.862	82	108.8342	6.768	86
996	490	490	0:SP3_SP3_SP3	Si[4]	C	C	4:4:4:4:	4:4:4:4:	4:4:4:4:	Si[4]-4:C[4]-4:C-4:C-4:	Si[4]-4:C-4:C-4:C-4:	Si[4]-4:C-4:C-4:C-4:	Si[4](Si[4]C[4]SiH)(C[4]C[4]CC)(CC3)2	C(Si[4]Si[4]C[4]C)(CH3)3	C(Si[4]Si[4]C[4]C)(CH3)3	Si[4](Si[4]C[4]SiH)(C[4]C[4]CC)(CC3)2{2|H<1>}	C(Si[4]Si[4]C[4]C)(CH3)3	C(Si[4]Si[4]C[4]C)(CH3)3	112.8200	0.000	1	112.8200	0.000	1	112.8200	0.000	1	112.1065	1.018	2	108.7528	6.862	82	108.8342	6.768	86
996	490	490	0:SP3_SP3_SP3	Si[4]	C	C	4:4:4:4:	4:4:4:4:	4:4:4:4:	Si[4]-4:Si[4]-4:C-4:C-4:	Si[4]-4:C-4:C-4:C-4:	Si[4]-4:C-4:C-4:C-4:	Si[4](Si[4]C[6a]2Si[4])(Si[4]Si[4]CC)(CC3)2	C(Si[4]Si[4]2C)(CH3)3	C(Si[4]Si[4]2C)(CH3)3	Si[4](Si[4]C[6a]2Si[4])(Si[4]Si[4]CC)(CC3)2{2|C<4>,4|C<3>}	C(Si[4]Si[4]2C)(CH3)3	C(Si[4]Si[4]2C)(CH3)3	111.3930	0.000	1	111.3930	0.000	1	111.3930	0.000	1	112.1065	1.018	2	108.7528	6.862	82	108.8342	6.768	86
996	490	598	0:SP3_SP2_SP3	Si[3x4,5]	C	Si[4,4,5,5]	3:3:4:4:	4:4:4:4:	4:4:4:	Si[4,4,5,5]-3:Si[4,4,5,5]-3:Si[3,4,4]-4:C-4:	Si[3x4,5]-4:C-4:C-4:C-4:	Si[3,4,5,5]-4:Si[3x4,5]-4:Si[4,5,5]-4:	Si[3x4,5](Si[4,4,5,5]Si[3,4,5,5]Si[4,5,5])2(Si[3,4,4]Si[3,4,5,5]2C)(CC3)	C(Si[3x4,5]Si[4,4,5,5]2Si[3,4,4])(CH3)3	Si[4,4,5,5](Si[3,4,5,5]Si[3,4,5,5]Si[3,4,4]C)(Si[3x4,5]Si[4,4,5,5]Si[3,4,4]C)(Si[4,5,5]Si[4,4,5,5]C[5]2)	Si[3x4,5](Si[4,4,5,5]Si[3,4,5,5]Si[4,5,5])2(Si[3,4,4]Si[3,4,5,5]2C)(CC3){4|C<4>}	C(Si[3x4,5]Si[4,4,5,5]2Si[3,4,4])(CH3)3	Si[4,4,5,5](Si[3,4,5,5]Si[3,4,5,5]Si[3,4,4]C)(Si[3x4,5]Si[4,4,5,5]Si[3,4,4]C)(Si[4,5,5]Si[4,4,5,5]C[5]2){4|Si<4>,4|C<4>}	130.5825	0.330	2	130.5825	0.109	2	130.5825	0.109	2	130.5825	0.109	2	130.5825	0.109	2	125.3100	71.544	8
996	490	598	0:SP3_SP2_SP3	Si[4]	C	Si[4]	4:3:4:4:	4:1:1:1:	4:4:4:	Si[4]-4:Si[4]-3:C-4:C-4:	Si[4]-4:H-1:H-1:H-1:	Si[4]-4:Si[4]-4:Si-4:	Si[4](Si[4]Si[4]Si2)(Si[4]Si[4]Si)(CH3)2	C(Si[4]Si[4]2C)(H)3	Si[4](Si[4]Si[4]CC)2(SiC3)	Si[4](Si[4]Si[4]Si2)(Si[4]Si[4]Si)(CH3)2{2|C<4>}	C(Si[4]Si[4]2C)(H)3	Si[4](Si[4]Si[4]CC)2(SiC3){2|Si<4>}	117.8432	3.381	4	117.8432	11.429	4	117.8432	11.429	4	117.8432	11.429	4	117.8432	11.429	4	125.3100	71.544	8
996	490	598	0:SP3_SP2_SP3	Si[4x4]	C	Si[4,4]	4:4:3:4:	4:4:4:4:	4:4:3:	Si[4x4]-4:Si[4x4]-4:Si[4,4]-3:C-4:	Si[4x4]-4:C-4:C-4:C-4:	Si[4x4]-4:Si[4x4]-4:Si[5]-3:	Si[4x4](Si[4x4]Si[4,4]Si[4x4]C)2(Si[4,4]Si[4x4]Si[5])(CC3)	C(Si[4x4]Si[4,4]Si[4x4]2)(CH3)3	Si[4,4](Si[4x4]Si[4x4]2C)2(Si[5]C[5]2)	Si[4x4](Si[4x4]Si[4,4]Si[4x4]C)2(Si[4,4]Si[4x4]Si[5])(CC3){1|Si<3>,3|C<4>}	C(Si[4x4]Si[4,4]Si[4x4]2)(CH3)3	Si[4,4](Si[4x4]Si[4x4]2C)2(Si[5]C[5]2){1|Si<3>,4|Si<4>,4|C<4>}	134.9710	1.063	2	134.9710	1.131	2	134.9710	1.131	2	134.9710	1.131	2	134.9710	1.131	2	125.3100	71.544	8
996	490	634	0:SP3_SP3_SP3	Si[4,4]	C	Ge[3,4,4]	4:4:4:4:	4:4:4:4:	4:4:4:4:	Ge[3,4,4]-4:Ge[3,4,4]-4:C-4:C-4:	Si[4,4]-4:C-4:C-4:C-4:	Ge[3,3,4]-4:Ge[3,3,4]-4:Si[4,4]-4:Si-4:	Si[4,4](Ge[3,4,4]Ge[3,3,4]2Si)2(CC3)2	C(Si[4,4]Ge[3,4,4]2C)(CH3)3	Ge[3,4,4](Ge[3,3,4]Ge[3,3,4]Ge[3,4,4]Si)2(Si[4,4]Ge[3,4,4]CC)(SiC3)	Si[4,4](Ge[3,4,4]Ge[3,3,4]2Si)2(CC3)2{2|Si<4>}	C(Si[4,4]Ge[3,4,4]2C)(CH3)3	Ge[3,4,4](Ge[3,3,4]Ge[3,3,4]Ge[3,4,4]Si)2(Si[4,4]Ge[3,4,4]CC)(SiC3){1|Si<4>}	114.5630	1.224	4	114.5630	1.498	4	114.5630	1.498	4	114.5630	1.498	4	114.5630	1.498	4	114.5630	1.498	4
996	490	643	0:SP3_SP2_SP3	Si[4]	C	C[6a]	3:3:3:4:	4:4:4:4:	4:3:3:	N[4]-3:C[6a]-3:N[4]-3:C-4:	Si[4]-4:C-4:C-4:C-4:	Si[4]-4:C[6a]-3:C[6a]-3:	Si[4](N[4]C[6a]Si[4])(C[6a]C[6a]2)(N[4]Si[4]Si)(CC3)	C(Si[4]C[6a]N[4]2)(CH3)3	C[6a](Si[4]N[4]2C)(C[6a]C[6a]H)2	Si[4](N[4]C[6a]Si[4])(C[6a]C[6a]2)(N[4]Si[4]Si)(CC3){2|F<1>,2|H<1>,4|C<3>}	C(Si[4]C[6a]N[4]2)(CH3)3	C[6a](Si[4]N[4]2C)(C[6a]C[6a]H)2{2|Si<4>,2|C<3>,2|H<1>}	115.0160	0.000	1	115.0160	0.000	1	115.0160	0.000	1	115.0160	0.000	1	115.0160	0.000	1	115.0160	0.000	1
996	490	769	0:SP3_SP2_SP3	Si[4]	C	C[4,6a]	3:4:4:4:	4:1:1:1:	3:4:3:	C[4,6a]-3:Ge[4]-4:C-4:C-4:	Si[4]-4:H-1:H-1:H-1:	C[4,6a]-3:Si[4]-4:C[6a]-3:	Si[4](C[4,6a]C[4,6a]C[6a])(Ge[4]C[4,6a]C[6a]2)(CH3)2	C(Si[4]C[4,6a]Ge[4]C)(H)3	C[4,6a](C[4,6a]C[6a]Ge[4])(Si[4]Ge[4]CC)(C[6a]C[6a]H)	Si[4](C[4,6a]C[4,6a]C[6a])(Ge[4]C[4,6a]C[6a]2)(CH3)2{1|H<1>,6|C<3>}	C(Si[4]C[4,6a]Ge[4]C)(H)3	C[4,6a](C[4,6a]C[6a]Ge[4])(Si[4]Ge[4]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	115.0895	0.507	2	115.0895	0.257	2	115.0895	0.257	2	115.7158	1.183	6	115.7158	1.183	6	115.7158	1.183	6
996	490	769	0:SP3_SP2_SP3	Si[4]	C	C[4,6a]	3:4:4:4:	4:1:1:1:	3:4:3:	C[4,6a]-3:Si[4]-4:C-4:C-4:	Si[4]-4:H-1:H-1:H-1:	C[4,6a]-3:Si[4]-4:C[6a]-3:	Si[4](C[4,6a]C[4,6a]C[6a])(Si[4]C[4,6a]CC)(CH3)2	C(Si[4]C[4,6a]Si[4]C)(H)3	C[4,6a](C[4,6a]C[6a]Si[4])(Si[4]Si[4]CC)(C[6a]C[6a]Si)	Si[4](C[4,6a]C[4,6a]C[6a])(Si[4]C[4,6a]CC)(CH3)2{1|Si<4>,2|C<3>}	C(Si[4]C[4,6a]Si[4]C)(H)3	C[4,6a](C[4,6a]C[6a]Si[4])(Si[4]Si[4]CC)(C[6a]C[6a]Si){1|Si<4>,1|C<3>,1|H<1>,2|C<4>}	116.0290	1.222	4	116.0290	1.493	4	116.0290	1.493	4	115.7158	1.183	6	115.7158	1.183	6	115.7158	1.183	6
996	490	846	0:SP3_SP2_SP3	Si[4]	C	C[4,6]	3:4:4:4:	4:4:4:4:	3:3:4:	C[4,6]-3:Si[4]-4:C-4:C-4:	Si[4]-4:C-4:C-4:C-4:	C[5,6]-3:C[4,6]-3:Si[4]-4:	Si[4](C[4,6]C[4,6]C[5,6])(Si[4]C[4,6]CC)(CC3)2	C(Si[4]C[4,6]Si[4]C)(CH3)3	C[4,6](C[5,6]C[5,5]N[5,6])(C[4,6]Si[4]C[6])(Si[4]Si[4]CC)	Si[4](C[4,6]C[4,6]C[5,6])(Si[4]C[4,6]CC)(CC3)2{1|N<3>,2|C<3>}	C(Si[4]C[4,6]Si[4]C)(CH3)3	C[4,6](C[5,6]C[5,5]N[5,6])(C[4,6]Si[4]C[6])(Si[4]Si[4]CC){1|Si<4>,1|C<3>,1|H<1>,1|N<3>,3|C<4>}	114.3550	3.272	2	114.3550	10.709	2	114.3550	10.709	2	114.3550	10.709	2	112.9135	48.021	4	116.5247	14.526	26
996	490	846	0:SP3_SP2_SP3	Si[4]	C	C[4,6]	3:4:4:4:	4:4:4:4:	3:4:3:	C[4,6]-3:Si[4]-4:C-4:C-4:	Si[4]-4:C-4:C-4:C-4:	C[4,6]-3:Si[4]-4:C[6]-3:	Si[4](C[4,6]C[4,6]C[6])(Si[4]C[4,6]CC)(CC3)2	C(Si[4]C[4,6]Si[4]C)(CH3)3	C[4,6](C[4,6]C[5,6]Si[4])(Si[4]Si[4]CC)(C[6]C[6]H)	Si[4](C[4,6]C[4,6]C[6])(Si[4]C[4,6]CC)(CC3)2{1|H<1>,2|C<3>}	C(Si[4]C[4,6]Si[4]C)(CH3)3	C[4,6](C[4,6]C[5,6]Si[4])(Si[4]Si[4]CC)(C[6]C[6]H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	111.4720	11.182	2	111.4720	125.041	2	111.4720	125.041	2	111.4720	125.041	2	112.9135	48.021	4	116.5247	14.526	26
996	490	846	0:SP3_SP2_SP3	Si[4]	C	C[4]	3:3:4:4:	4:1:1:1:	4:3:3:	C[4]-3:C[4]-3:C-4:C-4:	Si[4]-4:H-1:H-1:H-1:	Si[4]-4:C[4]-3:C-3:	Si[4](C[4]C[4]C)2(CH3)2	C(Si[4]C[4]2C)(H)3	C[4](Si[4]C[4]CC)(C[4]C[4]Ti)(CCC)	Si[4](C[4]C[4]C)2(CH3)2{1|Ti<12>}	C(Si[4]C[4]2C)(H)3	C[4](Si[4]C[4]CC)(C[4]C[4]Ti)(CCC){1|C<4>}	119.1435	3.603	2	119.1435	12.980	2	119.0896	9.012	8	118.4568	9.077	10	117.1813	7.497	22	116.5247	14.526	26
996	490	846	0:SP3_SP2_SP3	Si[4]	C	C[4]	3:3:4:4:	4:1:1:1:	4:3:3:	C[4]-3:C[4]-3:C-4:C-4:	Si[4]-4:H-1:H-1:H-1:	Si[4]-4:C[4]-3:C-3:	Si[4](C[4]C[4]Si)(C[4]C[4]C)(CH3)2	C(Si[4]C[4]2C)(H)3	C[4](Si[4]C[4]CC)(C[4]C[4]Ti)(CSiC)	Si[4](C[4]C[4]Si)(C[4]C[4]C)(CH3)2{1|Ti<11>}	C(Si[4]C[4]2C)(H)3	C[4](Si[4]C[4]CC)(C[4]C[4]Ti)(CSiC){1|Si<4>}	119.7305	3.679	4	119.7305	13.534	4	119.0896	9.012	8	118.4568	9.077	10	117.1813	7.497	22	116.5247	14.526	26
996	490	846	0:SP3_SP2_SP3	Si[4]	C	C[4]	3:3:4:4:	4:1:1:1:	4:3:3:	C[4]-3:C[4]-3:C-4:C-4:	Si[4]-4:H-1:H-1:H-1:	Si[4]-4:C[4]-3:C-3:	Si[4](C[4]C[6a]C[4])(C[4]C[4]C)(CH3)2	C(Si[4]C[4]2C)(H)3	C[4](Si[4]C[4]CC)(C[4]C[4]H)(CC[6a]C)	Si[4](C[4]C[6a]C[4])(C[4]C[4]C)(CH3)2{1|H<1>,2|C<3>}	C(Si[4]C[4]2C)(H)3	C[4](Si[4]C[4]CC)(C[4]C[4]H)(CC[6a]C){1|C<3>}	117.7540	2.070	2	117.7540	4.287	2	119.0896	9.012	8	118.4568	9.077	10	117.1813	7.497	22	116.5247	14.526	26
996	490	846	0:SP3_SP2_SP3	Si[4]	C	C[4]	3:3:4:4:	4:1:1:1:	4:3:3:	C[4]-3:C[4]-3:C-4:C-4:	Si[4]-4:H-1:H-1:H-1:	Si[4]-4:C[6a]-3:C[4]-3:	Si[4](C[4]C[6a]C[4])(C[4]C[4]C)(CH3)2	C(Si[4]C[4]2C)(H)3	C[4](Si[4]C[4]CC)(C[6a]C[6a]2)(C[4]C[4]H)	Si[4](C[4]C[6a]C[4])(C[4]C[4]C)(CH3)2{1|H<1>,2|C<3>}	C(Si[4]C[4]2C)(H)3	C[4](Si[4]C[4]CC)(C[6a]C[6a]2)(C[4]C[4]H){2|H<1>,3|C<3>}	115.9255	1.610	2	115.9255	2.592	2	115.9255	2.592	2	118.4568	9.077	10	117.1813	7.497	22	116.5247	14.526	26
996	490	846	0:SP3_SP2_SP3	Si[4]	C	C[4]	3:3:4:4:	4:1:1:1:	4:3:4:	C[4]-3:C[4]-3:C-4:C-4:	Si[4]-4:H-1:H-1:H-1:	Si[4]-4:C[4]-3:C-4:	Si[4](C[4]C[4]C)2(CH3)2	C(Si[4]C[4]2C)(H)3	C[4](Si[4]C[4]CC)(C[4]C[4]Ti)(CC3)	Si[4](C[4]C[4]C)2(CH3)2{1|Ti<12>}	C(Si[4]C[4]2C)(H)3	C[4](Si[4]C[4]CC)(C[4]C[4]Ti)(CC3){1|C<3>}	116.8060	0.676	2	116.8060	0.457	2	116.8060	0.457	2	116.9302	3.001	6	117.1813	7.497	22	116.5247	14.526	26
996	490	846	0:SP3_SP2_SP3	Si[4]	C	C[4]	3:3:4:4:	4:1:1:1:	4:3:4:	C[4]-3:C[4]-3:C-4:C-4:	Si[4]-4:H-1:H-1:H-1:	Si[4]-4:C[4]-3:Si-4:	Si[4](C[4]C[4]Si)(C[4]C[4]C)(CH3)2	C(Si[4]C[4]2C)(H)3	C[4](Si[4]C[4]CC)(C[4]C[4]Ti)(SiC3)	Si[4](C[4]C[4]Si)(C[4]C[4]C)(CH3)2{1|Ti<11>}	C(Si[4]C[4]2C)(H)3	C[4](Si[4]C[4]CC)(C[4]C[4]Ti)(SiC3){1|C<3>}	116.9922	2.199	4	116.9922	4.834	4	116.9922	4.834	4	116.9302	3.001	6	117.1813	7.497	22	116.5247	14.526	26
996	490	846	0:SP3_SP2_SP3	Si[4]	C	C[4]	4:3:4:4:	4:1:1:1:	3:4:3:	Ge[4,4]-4:C[4]-3:C-4:C-4:	Si[4]-4:H-1:H-1:H-1:	C[4]-3:Si[4]-4:C[6a]-3:	Si[4](Ge[4,4]Ge[4]Si[4]C[4])(C[4]C[6a]C[4])(CH3)2	C(Si[4]Ge[4,4]C[4]C)(H)3	C[4](C[4]Ge[4,4]C[6a])(Si[4]Ge[4,4]CC)(C[6a]C[6a]2)	Si[4](Ge[4,4]Ge[4]Si[4]C[4])(C[4]C[6a]C[4])(CH3)2{1|Ge<4>,2|Si<4>,2|C<4>,3|C<3>}	C(Si[4]Ge[4,4]C[4]C)(H)3	C[4](C[4]Ge[4,4]C[6a])(Si[4]Ge[4,4]CC)(C[6a]C[6a]2){1|Ge<4>,1|Si<4>,2|H<1>,4|C<3>}	114.3035	1.067	2	114.3035	1.139	2	114.1945	0.655	4	114.1945	0.655	4	117.1813	7.497	22	116.5247	14.526	26
996	490	846	0:SP3_SP2_SP3	Si[4]	C	C[4]	4:3:4:4:	4:1:1:1:	3:4:3:	Ge[4,4]-4:C[4]-3:C-4:C-4:	Si[4]-4:H-1:H-1:H-1:	C[4]-3:Si[4]-4:C[6a]-3:	Si[4](Ge[4,4]Si[4]2C[4])(C[4]C[6a]C[4])(CH3)2	C(Si[4]Ge[4,4]C[4]C)(H)3	C[4](C[4]Ge[4,4]C[6a])(Si[4]Ge[4,4]CC)(C[6a]C[6a]2)	Si[4](Ge[4,4]Si[4]2C[4])(C[4]C[6a]C[4])(CH3)2{3|Si<4>,2|C<4>,3|C<3>}	C(Si[4]Ge[4,4]C[4]C)(H)3	C[4](C[4]Ge[4,4]C[6a])(Si[4]Ge[4,4]CC)(C[6a]C[6a]2){2|Si<4>,2|H<1>,4|C<3>}	114.0855	0.883	2	114.0855	0.780	2	114.1945	0.655	4	114.1945	0.655	4	117.1813	7.497	22	116.5247	14.526	26
996	490	846	0:SP3_SP2_SP3	Si[4]	C	C[4]	4:3:4:4:	4:1:1:1:	4:3:4:	C[4]-4:C[4]-3:C-4:C-4:	Si[4]-4:H-1:H-1:H-1:	Si[4]-4:C[4]-3:C-4:	Si[4](C[4]C[6a]2C[4])(C[4]C[4]C)(CH3)2	C(Si[4]C[4]2C)(H)3	C[4](Si[4]C[4]CC)(C[4]C[4]Si)(CC3)	Si[4](C[4]C[6a]2C[4])(C[4]C[4]C)(CH3)2{1|Si<4>,4|C<3>}	C(Si[4]C[4]2C)(H)3	C[4](Si[4]C[4]CC)(C[4]C[4]Si)(CC3){2|C<3>}	117.5310	2.490	2	117.5310	6.202	2	117.5310	6.202	2	117.5310	6.202	2	117.1813	7.497	22	116.5247	14.526	26
996	490	872	0:SP3_SP3_SP3	Si[3x4,5]	C	Si[3,4,4]	3:3:4:4:	4:4:4:4:	4:4:4:4:	Si[4,4,5,5]-3:Si[4,4,5,5]-3:Si[3,4,4]-4:C-4:	Si[3x4,5]-4:C-4:C-4:C-4:	Si[3,4,5,5]-4:Si[3,4,5,5]-4:Si[3x4,5]-4:C-4:	Si[3x4,5](Si[4,4,5,5]Si[3,4,5,5]Si[4,5,5])2(Si[3,4,4]Si[3,4,5,5]2C)(CC3)	C(Si[3x4,5]Si[4,4,5,5]2Si[3,4,4])(CH3)3	Si[3,4,4](Si[3,4,5,5]Si[3,4,5,5]Si[4,4,5,5]C)2(Si[3x4,5]Si[4,4,5,5]2C)(CC3)	Si[3x4,5](Si[4,4,5,5]Si[3,4,5,5]Si[4,5,5])2(Si[3,4,4]Si[3,4,5,5]2C)(CC3){4|C<4>}	C(Si[3x4,5]Si[4,4,5,5]2Si[3,4,4])(CH3)3	Si[3,4,4](Si[3,4,5,5]Si[3,4,5,5]Si[4,4,5,5]C)2(Si[3x4,5]Si[4,4,5,5]2C)(CC3){1|Si<4>}	126.6790	0.000	1	126.6790	0.000	1	126.6790	0.000	1	126.6790	0.000	1	126.6790	0.000	1	126.6790	0.000	1
996	490	882	0:SP3_SP3_SP3	Si[4,4]	C	P[3x4]	4:3:4:4:	4:4:4:1:	4:4:4:	Si[3x4]-4:P[3x4]-3:C-4:C-4:	Si[4,4]-4:C-4:C-4:H-1:	Si[4,4]-4:Si[4,4]-4:Si[4,4]-4:	Si[4,4](Si[3x4]Si[4,4]2C[6a])(P[3x4]Si[4,4]2)(CCCH)2	C(Si[4,4]Si[3x4]P[3x4]C)(CH3)2(H)	P[3x4](Si[4,4]Si[3x4]CC)3	Si[4,4](Si[3x4]Si[4,4]2C[6a])(P[3x4]Si[4,4]2)(CCCH)2{2|C<3>,4|C<4>}	C(Si[4,4]Si[3x4]P[3x4]C)(CH3)2(H)	P[3x4](Si[4,4]Si[3x4]CC)3{1|C<3>}	113.7107	4.448	6	113.7107	19.783	6	113.7107	19.783	6	113.7107	19.783	6	113.7107	19.783	6	113.7107	19.783	6
996	490	907	0:SP3_SP3_SP3	Si[4]	C	Ge[4,4]	4:3:4:4:	4:1:1:1:	4:3:4:4:	Ge[4,4]-4:C[4]-3:C-4:C-4:	Si[4]-4:H-1:H-1:H-1:	Ge[4]-4:C[4]-3:Si[4]-4:Si[4]-4:	Si[4](Ge[4,4]Ge[4]Si[4]C[4])(C[4]C[6a]C[4])(CH3)2	C(Si[4]Ge[4,4]C[4]C)(H)3	Ge[4,4](Ge[4]Ge[4]Si2)(C[4]C[6a]C[4])(Si[4]Ge[4]CC)(Si[4]C[4]CC)	Si[4](Ge[4,4]Ge[4]Si[4]C[4])(C[4]C[6a]C[4])(CH3)2{1|Ge<4>,2|Si<4>,2|C<4>,3|C<3>}	C(Si[4]Ge[4,4]C[4]C)(H)3	Ge[4,4](Ge[4]Ge[4]Si2)(C[4]C[6a]C[4])(Si[4]Ge[4]CC)(Si[4]C[4]CC){2|Si<4>,3|C<3>}	119.5320	0.072	2	119.5320	0.005	2	119.5320	0.005	2	119.6720	0.033	4	117.3356	6.337	8	117.2362	7.181	12
996	490	907	0:SP3_SP3_SP3	Si[4]	C	Ge[4,4]	4:3:4:4:	4:1:1:1:	4:3:4:4:	Ge[4,4]-4:C[4]-3:C-4:C-4:	Si[4]-4:H-1:H-1:H-1:	Si[4]-4:C[4]-3:Si[4]-4:Si[4]-4:	Si[4](Ge[4,4]Si[4]2C[4])(C[4]C[6a]C[4])(CH3)2	C(Si[4]Ge[4,4]C[4]C)(H)3	Ge[4,4](Si[4]Si[4]Si2)(C[4]C[6a]C[4])(Si[4]Si[4]CC)(Si[4]C[4]CC)	Si[4](Ge[4,4]Si[4]2C[4])(C[4]C[6a]C[4])(CH3)2{3|Si<4>,2|C<4>,3|C<3>}	C(Si[4]Ge[4,4]C[4]C)(H)3	Ge[4,4](Si[4]Si[4]Si2)(C[4]C[6a]C[4])(Si[4]Si[4]CC)(Si[4]C[4]CC){2|Si<4>,3|C<3>}	119.8120	0.126	2	119.8120	0.016	2	119.8120	0.016	2	119.6720	0.033	4	117.3356	6.337	8	117.2362	7.181	12
996	490	907	0:SP3_SP3_SP3	Si[4]	C	Ge[4,4]	4:4:4:4:	4:1:1:1:	4:3:4:4:	Ge[4,4]-4:Ge[4]-4:C-4:C-4:	Si[4]-4:H-1:H-1:H-1:	Ge[4]-4:C[4]-3:Si[4]-4:Si[4]-4:	Si[4](Ge[4,4]Ge[4]Si[4]C[4])(Ge[4]Ge[4]Si2)(CH3)2	C(Si[4]Ge[4,4]Ge[4]C)(H)3	Ge[4,4](Ge[4]Ge[4]Si2)(C[4]C[6a]C[4])(Si[4]Ge[4]CC)(Si[4]C[4]CC)	Si[4](Ge[4,4]Ge[4]Si[4]C[4])(Ge[4]Ge[4]Si2)(CH3)2{2|Si<4>,2|C<3>,2|C<4>}	C(Si[4]Ge[4,4]Ge[4]C)(H)3	Ge[4,4](Ge[4]Ge[4]Si2)(C[4]C[6a]C[4])(Si[4]Ge[4]CC)(Si[4]C[4]CC){2|Si<4>,3|C<3>}	115.0475	0.711	2	115.0475	0.505	2	115.0475	0.505	2	114.9993	0.197	4	117.3356	6.337	8	117.2362	7.181	12
996	490	907	0:SP3_SP3_SP3	Si[4]	C	Ge[4,4]	4:4:4:4:	4:1:1:1:	4:3:4:4:	Ge[4,4]-4:Si[4]-4:C-4:C-4:	Si[4]-4:H-1:H-1:H-1:	Si[4]-4:C[4]-3:Si[4]-4:Si[4]-4:	Si[4](Ge[4,4]Si[4]2C[4])(Si[4]Si[4]Si2)(CH3)2	C(Si[4]Ge[4,4]Si[4]C)(H)3	Ge[4,4](Si[4]Si[4]Si2)(C[4]C[6a]C[4])(Si[4]Si[4]CC)(Si[4]C[4]CC)	Si[4](Ge[4,4]Si[4]2C[4])(Si[4]Si[4]Si2)(CH3)2{2|Si<4>,2|C<3>,2|C<4>}	C(Si[4]Ge[4,4]Si[4]C)(H)3	Ge[4,4](Si[4]Si[4]Si2)(C[4]C[6a]C[4])(Si[4]Si[4]CC)(Si[4]C[4]CC){2|Si<4>,3|C<3>}	114.9510	0.279	2	114.9510	0.078	2	114.9510	0.078	2	114.9993	0.197	4	117.3356	6.337	8	117.2362	7.181	12
996	490	907	0:SP3_SP3_SP3	Si[4]	C	Ge[4]	3:4:4:4:	4:1:1:1:	3:4:3:3:	C[4,6a]-3:Ge[4]-4:C-4:C-4:	Si[4]-4:H-1:H-1:H-1:	C[4,6a]-3:Si[4]-4:C[6a]-3:C[6a]-3:	Si[4](C[4,6a]C[4,6a]C[6a])(Ge[4]C[4,6a]C[6a]2)(CH3)2	C(Si[4]C[4,6a]Ge[4]C)(H)3	Ge[4](C[4,6a]C[4,6a]C[6a])(Si[4]C[4,6a]CC)(C[6a]C[6a]2)2	Si[4](C[4,6a]C[4,6a]C[6a])(Ge[4]C[4,6a]C[6a]2)(CH3)2{1|H<1>,6|C<3>}	C(Si[4]C[4,6a]Ge[4]C)(H)3	Ge[4](C[4,6a]C[4,6a]C[6a])(Si[4]C[4,6a]CC)(C[6a]C[6a]2)2{2|Si<4>,3|H<1>,6|C<3>}	119.0860	3.470	2	119.0860	12.044	2	119.0860	12.044	2	119.0860	12.044	2	117.0375	11.465	4	117.2362	7.181	12
996	490	907	0:SP3_SP3_SP3	Si[4]	C	Ge[4]	4:4:4:4:	4:1:1:1:	4:4:4:4:	Ge[4,4]-4:Ge[4]-4:C-4:C-4:	Si[4]-4:H-1:H-1:H-1:	Ge[4]-4:Si[4]-4:Si-4:Si-4:	Si[4](Ge[4,4]Ge[4]Si[4]C[4])(Ge[4]Ge[4]Si2)(CH3)2	C(Si[4]Ge[4,4]Ge[4]C)(H)3	Ge[4](Ge[4]Ge[4,4]Si2)(Si[4]Ge[4,4]CC)(SiC3)2	Si[4](Ge[4,4]Ge[4]Si[4]C[4])(Ge[4]Ge[4]Si2)(CH3)2{2|Si<4>,2|C<3>,2|C<4>}	C(Si[4]Ge[4,4]Ge[4]C)(H)3	Ge[4](Ge[4]Ge[4,4]Si2)(Si[4]Ge[4,4]CC)(SiC3)2{1|Si<4>,1|C<3>}	114.9890	2.359	2	114.9890	5.564	2	114.9890	5.564	2	114.9890	5.564	2	117.0375	11.465	4	117.2362	7.181	12
996	490	951	0:SP3_SP-NON_SP3	Si[4]	C	H	3:3:4:1:	4:1:1:1:	4:	N[4]-3:N[4]-3:C-4:H-1:	Si[4]-4:H-1:H-1:H-1:	Si[4]-4:	Si[4](N[4]C[4]C)2(CH3)(H)	C(Si[4]N[4]2H)(H)3	H(Si[4]N[4]2C)	Si[4](N[4]C[4]C)2(CH3)(H){1|C<3>}	C(Si[4]N[4]2H)(H)3	H(Si[4]N[4]2C)	124.7780	0.000	1	124.7780	0.000	1	124.7780	0.000	1	124.7780	0.000	1	124.7780	0.000	1	124.7780	0.000	1
996	490	956	0:SP3_SP2_SP3	Si[4]	C	N	2:2:4:3:	4:4:4:4:	4:3:4:	O[4]-2:O[4]-2:C-4:N-3:	Si[4]-4:C-4:C-4:C-4:	Si[4]-4:C-3:C-4:	Si[4](O[4]Si[4])2(CC3)(NCC)	C(Si[4]O[4]2N)(CH3)3	N(Si[4]O[4]2C)(CC[6a]N)(CC3)	Si[4](O[4]Si[4])2(CC3)(NCC){1|C<4>,1|N<3>}	C(Si[4]O[4]2N)(CH3)3	N(Si[4]O[4]2C)(CC[6a]N)(CC3)	114.5350	0.000	1	114.5350	0.000	1	114.5350	0.000	1	114.5350	0.000	1	113.9970	0.579	2	113.9970	0.579	2
996	490	956	0:SP3_SP2_SP3	Si[4]	C	N	3:3:4:3:	4:1:1:1:	4:3:4:	N[4]-3:N[4]-3:C-4:N-3:	Si[4]-4:H-1:H-1:H-1:	Si[4]-4:P-3:C-4:	Si[4](N[4]Si[4]C)2(CH3)(NCP)	C(Si[4]N[4]2N)(H)3	N(Si[4]N[4]2C)(PCl2)(CC3)	Si[4](N[4]Si[4]C)2(CH3)(NCP){1|C<4>,1|N<3>}	C(Si[4]N[4]2N)(H)3	N(Si[4]N[4]2C)(PCl2)(CC3)	113.4590	0.000	1	113.4590	0.000	1	113.4590	0.000	1	113.4590	0.000	1	113.9970	0.579	2	113.9970	0.579	2
996	490	956	0:SP3_SP3_SP3	Si[4]	C	N	3:3:4:3:	4:1:1:1:	4:3:4:	N[4]-3:N[4]-3:C-4:N-3:	Si[4]-4:H-1:H-1:H-1:	Si[4]-4:P-3:C-4:	Si[4](N[4]Si[4]C)2(CH3)(NCP)	C(Si[4]N[4]2N)(H)3	N(Si[4]N[4]2C)(PCl2)(CC3)	Si[4](N[4]Si[4]C)2(CH3)(NCP){1|C<4>,1|N<3>}	C(Si[4]N[4]2N)(H)3	N(Si[4]N[4]2C)(PCl2)(CC3)	112.8820	0.000	1	112.8820	0.000	1	112.8820	0.000	1	112.8820	0.000	1	107.2350	51.095	4	107.2350	51.095	4
996	490	956	0:SP3_SP3_SP3	Si[4]	C	N	3:3:4:3:	4:1:1:1:	4:4:1:	N[4]-3:N[4]-3:C-4:N-3:	Si[4]-4:H-1:H-1:H-1:	Si[4]-4:C-4:H-1:	Si[4](N[4]Si[4]C)2(CH3)(NCH)	C(Si[4]N[4]2N)(H)3	N(Si[4]N[4]2C)(CC3)(H)	Si[4](N[4]Si[4]C)2(CH3)(NCH){1|C<4>,1|N<3>}	C(Si[4]N[4]2N)(H)3	N(Si[4]N[4]2C)(CC3)(H)	101.0560	0.000	2	101.0560	0.000	2	101.0560	0.000	2	101.0560	0.000	2	107.2350	51.095	4	107.2350	51.095	4
996	490	956	0:SP3_SP3_SP3	Si[4]	C	N	3:3:4:3:	4:3:1:1:	4:3:4:	N[4]-3:N[4]-3:C-4:N-3:	Si[4]-4:C-3:H-1:H-1:	Si[4]-4:C-3:C-4:	Si[4](N[4]C[4]C)2(CCHH)(NCC)	C(Si[4]N[4]2N)(CCH)(H)2	N(Si[4]N[4]2C)(CC[6a]N)(CCCH)	Si[4](N[4]C[4]C)2(CCHH)(NCC){1|C<3>,1|C<4>}	C(Si[4]N[4]2N)(CCH)(H)2	N(Si[4]N[4]2C)(CC[6a]N)(CCCH)	113.9460	0.000	1	113.9460	0.000	1	113.9460	0.000	1	113.9460	0.000	1	107.2350	51.095	4	107.2350	51.095	4
996	490	980	0:SP3_SP3_SP3	Si[4]	C	N[4]	4:4:4:4:	4:1:1:1:	5:4:4:4:	C[4]-4:N[4]-4:C-4:C-4:	Si[4]-4:H-1:H-1:H-1:	Ga[4]-5:Si[4]-4:C-4:C-4:	Si[4](C[4]Ga[4]Si2)(N[4]Ga[4]CC)(CH3)2	C(Si[4]C[4]N[4]C)(H)3	N[4](Ga[4]C[4]C[5]2Fe)(Si[4]C[4]CC)(CH3)2	Si[4](C[4]Ga[4]Si2)(N[4]Ga[4]CC)(CH3)2{1|Fe<11>,2|C<4>}	C(Si[4]C[4]N[4]C)(H)3	N[4](Ga[4]C[4]C[5]2Fe)(Si[4]C[4]CC)(CH3)2{2|Si<4>,4|C<4>}	108.3785	1.070	2	108.3785	1.145	2	108.2604	0.451	8	108.2604	0.451	8	108.2604	0.451	8	108.2604	0.451	8
996	490	980	0:SP3_SP3_SP3	Si[4]	C	N[4]	4:4:4:4:	4:1:1:1:	5:4:4:4:	C[4]-4:N[4]-4:C-4:C-4:	Si[4]-4:H-1:H-1:H-1:	Ga[4]-5:Si[4]-4:C-4:C-4:	Si[4](C[4]Ga[4]Si2)(N[4]Ga[4]CC)(CH3)2	C(Si[4]C[4]N[4]C)(H)3	N[4](Ga[4]C[4]C[5]2Ru)(Si[4]C[4]CC)(CH3)2	Si[4](C[4]Ga[4]Si2)(N[4]Ga[4]CC)(CH3)2{1|Ru<11>,2|C<4>}	C(Si[4]C[4]N[4]C)(H)3	N[4](Ga[4]C[4]C[5]2Ru)(Si[4]C[4]CC)(CH3)2{2|Si<4>,4|C<4>}	108.3325	0.984	2	108.3325	0.967	2	108.2604	0.451	8	108.2604	0.451	8	108.2604	0.451	8	108.2604	0.451	8
996	490	980	0:SP3_SP3_SP3	Si[4]	C	N[4]	4:4:4:4:	4:1:1:1:	5:4:4:4:	C[4]-4:N[4]-4:C-4:C-4:	Si[4]-4:H-1:H-1:H-1:	Ga[4]-5:Si[4]-4:C-4:C-4:	Si[4](C[4]Ga[4]Si2)(N[4]Ga[4]CC)(CH3)2	C(Si[4]C[4]N[4]C)(H)3	N[4](Ga[4]C[4]C[6]2Cr)(Si[4]C[4]CC)(CH3)2	Si[4](C[4]Ga[4]Si2)(N[4]Ga[4]CC)(CH3)2{1|Cr<13>,2|C<4>}	C(Si[4]C[4]N[4]C)(H)3	N[4](Ga[4]C[4]C[6]2Cr)(Si[4]C[4]CC)(CH3)2{2|Si<4>,4|C<4>}	108.2675	0.689	2	108.2675	0.475	2	108.2604	0.451	8	108.2604	0.451	8	108.2604	0.451	8	108.2604	0.451	8
996	490	980	0:SP3_SP3_SP3	Si[4]	C	N[4]	4:4:4:4:	4:1:1:1:	5:4:4:4:	C[4]-4:N[4]-4:C-4:C-4:	Si[4]-4:H-1:H-1:H-1:	Ga[4]-5:Si[4]-4:C-4:C-4:	Si[4](C[4]Ga[4]Si2)(N[4]Ga[4]CC)(CH3)2	C(Si[4]C[4]N[4]C)(H)3	N[4](Ga[4]C[4]C[6]2V)(Si[4]C[4]CC)(CH3)2	Si[4](C[4]Ga[4]Si2)(N[4]Ga[4]CC)(CH3)2{1|V<13>,2|C<4>}	C(Si[4]C[4]N[4]C)(H)3	N[4](Ga[4]C[4]C[6]2V)(Si[4]C[4]CC)(CH3)2{2|Si<4>,4|C<4>}	108.0630	0.673	2	108.0630	0.453	2	108.2604	0.451	8	108.2604	0.451	8	108.2604	0.451	8	108.2604	0.451	8
996	490	996	0:SP3_SP3_SP3	Si[4,4]	C	Si[3x4]	4:3:4:4:	4:4:4:1:	4:4:4:3:	Si[3x4]-4:P[3x4]-3:C-4:C-4:	Si[4,4]-4:C-4:C-4:H-1:	Si[4,4]-4:Si[4,4]-4:Si[4,4]-4:C[6a]-3:	Si[4,4](Si[3x4]Si[4,4]2C[6a])(P[3x4]Si[4,4]2)(CCCH)2	C(Si[4,4]Si[3x4]P[3x4]C)(CH3)2(H)	Si[3x4](Si[4,4]P[3x4]CC)3(C[6a]C[6a]2)	Si[4,4](Si[3x4]Si[4,4]2C[6a])(P[3x4]Si[4,4]2)(CCCH)2{2|C<3>,4|C<4>}	C(Si[4,4]Si[3x4]P[3x4]C)(CH3)2(H)	Si[3x4](Si[4,4]P[3x4]CC)3(C[6a]C[6a]2){2|C<3>,2|H<1>}	118.2718	3.012	6	118.2718	9.075	6	118.2718	9.075	6	118.2718	9.075	6	118.2718	9.075	6	117.9950	37.554	218
996	490	996	0:SP3_SP3_SP3	Si[4,4]	C	Si[4,4]	4:4:4:4:	4:4:4:1:	4:4:4:4:	Si[4,4]-4:Si[4,4]-4:Si[4,4]-4:C-4:	Si[4,4]-4:C-4:C-4:H-1:	Si[4,4]-4:Si[4,4]-4:Si[4,4]-4:C-4:	Si[4,4](Si[4,4]Si[4,4]2C)3(CCCH)	C(Si[4,4]Si[4,4]3)(CH3)2(H)	Si[4,4](Si[4,4]Si[4,4]2C)3(CCCH)	Si[4,4](Si[4,4]Si[4,4]2C)3(CCCH){4|Si<4>,4|C<4>}	C(Si[4,4]Si[4,4]3)(CH3)2(H)	Si[4,4](Si[4,4]Si[4,4]2C)3(CCCH){4|Si<4>,4|C<4>}	123.4701	7.152	19	123.4701	51.157	19	122.1392	57.412	61	120.5997	49.137	102	120.5997	49.137	102	117.9950	37.554	218
996	490	996	0:SP3_SP3_SP3	Si[4,4]	C	Si[4,4]	4:4:4:4:	4:4:4:1:	4:4:4:4:	Si[4,4]-4:Si[4,4]-4:Si[4,4]-4:C-4:	Si[4,4]-4:C-4:C-4:H-1:	Si[4,4]-4:Si[4,4]-4:Si[4,4]-4:C-4:	Si[4,4](Si[4,4]Si[4,4]2C)3(CCCH)	C(Si[4,4]Si[4,4]3)(CH3)2(H)	Si[4,4](Si[4,4]Si[4,4]Si[4]C)(Si[4,4]Si[4,4]2C)2(CCCH)	Si[4,4](Si[4,4]Si[4,4]2C)3(CCCH){4|Si<4>,4|C<4>}	C(Si[4,4]Si[4,4]3)(CH3)2(H)	Si[4,4](Si[4,4]Si[4,4]Si[4]C)(Si[4,4]Si[4,4]2C)2(CCCH){3|Si<4>,5|C<4>}	117.5729	7.860	14	117.5729	61.783	14	122.1392	57.412	61	120.5997	49.137	102	120.5997	49.137	102	117.9950	37.554	218
996	490	996	0:SP3_SP3_SP3	Si[4,4]	C	Si[4,4]	4:4:4:4:	4:4:4:1:	4:4:4:4:	Si[4,4]-4:Si[4,4]-4:Si[4,4]-4:C-4:	Si[4,4]-4:C-4:C-4:H-1:	Si[4,4]-4:Si[4,4]-4:Si[4,4]-4:C-4:	Si[4,4](Si[4,4]Si[4,4]Si[4]C)(Si[4,4]Si[4,4]2C)2(CCCH)	C(Si[4,4]Si[4,4]3)(CH3)2(H)	Si[4,4](Si[4,4]Si[4,4]2C)3(CCCH)	Si[4,4](Si[4,4]Si[4,4]Si[4]C)(Si[4,4]Si[4,4]2C)2(CCCH){3|Si<4>,5|C<4>}	C(Si[4,4]Si[4,4]3)(CH3)2(H)	Si[4,4](Si[4,4]Si[4,4]2C)3(CCCH){4|Si<4>,4|C<4>}	118.4156	6.784	14	118.4156	46.020	14	122.1392	57.412	61	120.5997	49.137	102	120.5997	49.137	102	117.9950	37.554	218
996	490	996	0:SP3_SP3_SP3	Si[4,4]	C	Si[4,4]	4:4:4:4:	4:4:4:1:	4:4:4:4:	Si[4,4]-4:Si[4,4]-4:Si[4,4]-4:C-4:	Si[4,4]-4:C-4:C-4:H-1:	Si[4,4]-4:Si[4,4]-4:Si[4,4]-4:C-4:	Si[4,4](Si[4,4]Si[4,4]Si[4]C)(Si[4,4]Si[4,4]2C)2(CCCH)	C(Si[4,4]Si[4,4]3)(CH3)2(H)	Si[4,4](Si[4,4]Si[4,4]Si[4]C)(Si[4,4]Si[4,4]2C)2(CCCH)	Si[4,4](Si[4,4]Si[4,4]Si[4]C)(Si[4,4]Si[4,4]2C)2(CCCH){3|Si<4>,5|C<4>}	C(Si[4,4]Si[4,4]3)(CH3)2(H)	Si[4,4](Si[4,4]Si[4,4]Si[4]C)(Si[4,4]Si[4,4]2C)2(CCCH){3|Si<4>,5|C<4>}	128.6229	1.047	14	128.6229	1.095	14	122.1392	57.412	61	120.5997	49.137	102	120.5997	49.137	102	117.9950	37.554	218
996	490	996	0:SP3_SP3_SP3	Si[4,4]	C	Si[4,4]	4:4:4:4:	4:4:4:1:	4:4:4:4:	Si[4,4]-4:Si[4,4]-4:Si[4,4]-4:C-4:	Si[4,4]-4:C-4:C-4:H-1:	Si[4,4]-4:Si[4,4]-4:Si[4]-4:C-4:	Si[4,4](Si[4,4]Si[4,4]Si[4]C)(Si[4,4]Si[4,4]2C)2(CCCH)	C(Si[4,4]Si[4,4]3)(CH3)2(H)	Si[4,4](Si[4,4]Si[4,4]Si[4]C)(Si[4,4]Si[4,4]2C)(Si[4]Si[4]CC)(CCCH)	Si[4,4](Si[4,4]Si[4,4]Si[4]C)(Si[4,4]Si[4,4]2C)2(CCCH){3|Si<4>,5|C<4>}	C(Si[4,4]Si[4,4]3)(CH3)2(H)	Si[4,4](Si[4,4]Si[4,4]Si[4]C)(Si[4,4]Si[4,4]2C)(Si[4]Si[4]CC)(CCCH){2|Si<4>,4|C<4>}	116.2649	6.935	14	116.2649	48.087	14	116.2649	48.087	14	120.5997	49.137	102	120.5997	49.137	102	117.9950	37.554	218
996	490	996	0:SP3_SP3_SP3	Si[4,4]	C	Si[4,4]	4:4:4:4:	4:4:4:1:	4:4:4:4:	Si[4,4]-4:Si[4,4]-4:Si[4]-4:C-4:	Si[4,4]-4:C-4:C-4:H-1:	Si[4,4]-4:Si[4,4]-4:Si[4,4]-4:C-4:	Si[4,4](Si[4,4]Si[4,4]Si[4]C)(Si[4,4]Si[4,4]2C)(Si[4]Si[4]CC)(CCCH)	C(Si[4,4]Si[4,4]2Si[4])(CH3)2(H)	Si[4,4](Si[4,4]Si[4,4]Si[4]C)(Si[4,4]Si[4,4]2C)2(CCCH)	Si[4,4](Si[4,4]Si[4,4]Si[4]C)(Si[4,4]Si[4,4]2C)(Si[4]Si[4]CC)(CCCH){2|Si<4>,4|C<4>}	C(Si[4,4]Si[4,4]2Si[4])(CH3)2(H)	Si[4,4](Si[4,4]Si[4,4]Si[4]C)(Si[4,4]Si[4,4]2C)2(CCCH){3|Si<4>,5|C<4>}	116.2419	3.796	13	116.2419	14.407	13	116.2419	14.407	13	120.5997	49.137	102	120.5997	49.137	102	117.9950	37.554	218
996	490	996	0:SP3_SP3_SP3	Si[4,4]	C	Si[4,4]	4:4:4:4:	4:4:4:1:	4:4:4:4:	Si[4,4]-4:Si[4,4]-4:Si[4]-4:C-4:	Si[4,4]-4:C-4:C-4:H-1:	Si[4,4]-4:Si[4,4]-4:Si[4]-4:C-4:	Si[4,4](Si[4,4]Si[4,4]Si[4]C)(Si[4,4]Si[4,4]2C)(Si[4]Si[4]CC)(CCCH)	C(Si[4,4]Si[4,4]2Si[4])(CH3)2(H)	Si[4,4](Si[4,4]Si[4,4]Si[4]C)(Si[4,4]Si[4,4]2C)(Si[4]Si[4]CC)(CCCH)	Si[4,4](Si[4,4]Si[4,4]Si[4]C)(Si[4,4]Si[4,4]2C)(Si[4]Si[4]CC)(CCCH){2|Si<4>,4|C<4>}	C(Si[4,4]Si[4,4]2Si[4])(CH3)2(H)	Si[4,4](Si[4,4]Si[4,4]Si[4]C)(Si[4,4]Si[4,4]2C)(Si[4]Si[4]CC)(CCCH){2|Si<4>,4|C<4>}	122.2729	1.424	14	122.2729	2.029	14	122.2729	2.029	14	120.5997	49.137	102	120.5997	49.137	102	117.9950	37.554	218
996	490	996	0:SP3_SP3_SP3	Si[4,4]	C	Si[4]	4:4:4:4:	4:4:4:1:	4:4:4:4:	Si[4,4]-4:Si[4,4]-4:Si[4]-4:C-4:	Si[4,4]-4:C-4:C-4:H-1:	Si[4,4]-4:Si[4]-4:C-4:C-4:	Si[4,4](Si[4,4]Si[4,4]Si[4]C)(Si[4,4]Si[4,4]2C)(Si[4]Si[4]CC)(CCCH)	C(Si[4,4]Si[4,4]2Si[4])(CH3)2(H)	Si[4](Si[4,4]Si[4,4]2C)(Si[4]Si[4,4]CC)(CCCH)2	Si[4,4](Si[4,4]Si[4,4]Si[4]C)(Si[4,4]Si[4,4]2C)(Si[4]Si[4]CC)(CCCH){2|Si<4>,4|C<4>}	C(Si[4,4]Si[4,4]2Si[4])(CH3)2(H)	Si[4](Si[4,4]Si[4,4]2C)(Si[4]Si[4,4]CC)(CCCH)2{2|Si<4>,2|C<4>}	119.4298	1.810	14	119.4298	3.277	14	119.4298	3.277	14	119.4298	3.277	14	119.4298	3.277	14	117.9950	37.554	218
996	490	996	0:SP3_SP3_SP3	Si[4]	C	Si[4,4]	4:4:4:4:	4:4:4:1:	4:4:4:4:	Si[4,4]-4:Si[4]-4:C-4:C-4:	Si[4]-4:C-4:C-4:H-1:	Si[4,4]-4:Si[4,4]-4:Si[4]-4:C-4:	Si[4](Si[4,4]Si[4,4]2C)(Si[4]Si[4,4]CC)(CCCH)2	C(Si[4]Si[4,4]Si[4]C)(CH3)2(H)	Si[4,4](Si[4,4]Si[4,4]Si[4]C)(Si[4,4]Si[4,4]2C)(Si[4]Si[4]CC)(CCCH)	Si[4](Si[4,4]Si[4,4]2C)(Si[4]Si[4,4]CC)(CCCH)2{2|Si<4>,2|C<4>}	C(Si[4]Si[4,4]Si[4]C)(CH3)2(H)	Si[4,4](Si[4,4]Si[4,4]Si[4]C)(Si[4,4]Si[4,4]2C)(Si[4]Si[4]CC)(CCCH){2|Si<4>,4|C<4>}	113.7321	3.394	27	113.7321	11.520	27	113.7321	11.520	27	113.7321	11.520	27	113.7321	11.520	27	117.9950	37.554	218
996	490	996	0:SP3_SP3_SP3	Si[4]	C	Si[4]	3:4:4:4:	4:1:1:1:	3:4:4:4:	C[4,6a]-3:Si[4]-4:C-4:C-4:	Si[4]-4:H-1:H-1:H-1:	C[4,6a]-3:Si[4]-4:C-4:C-4:	Si[4](C[4,6a]C[4,6a]C[6a])(Si[4]C[4,6a]CC)(CH3)2	C(Si[4]C[4,6a]Si[4]C)(H)3	Si[4](C[4,6a]C[4,6a]C[6a])(Si[4]C[4,6a]CC)(CH3)2	Si[4](C[4,6a]C[4,6a]C[6a])(Si[4]C[4,6a]CC)(CH3)2{1|Si<4>,2|C<3>}	C(Si[4]C[4,6a]Si[4]C)(H)3	Si[4](C[4,6a]C[4,6a]C[6a])(Si[4]C[4,6a]CC)(CH3)2{1|Si<4>,2|C<3>}	117.6710	1.477	4	117.6710	2.182	4	117.6710	2.182	4	117.6710	2.182	4	115.0236	14.117	65	117.9950	37.554	218
996	490	996	0:SP3_SP3_SP3	Si[4]	C	Si[4]	3:4:4:4:	4:4:4:4:	3:4:4:4:	C[4,6]-3:Si[4]-4:C-4:C-4:	Si[4]-4:C-4:C-4:C-4:	C[4,6]-3:Si[4]-4:C-4:C-4:	Si[4](C[4,6]C[4,6]C[5,6])(Si[4]C[4,6]CC)(CC3)2	C(Si[4]C[4,6]Si[4]C)(CH3)3	Si[4](C[4,6]C[4,6]C[6])(Si[4]C[4,6]CC)(CC3)2	Si[4](C[4,6]C[4,6]C[5,6])(Si[4]C[4,6]CC)(CC3)2{1|N<3>,2|C<3>}	C(Si[4]C[4,6]Si[4]C)(CH3)3	Si[4](C[4,6]C[4,6]C[6])(Si[4]C[4,6]CC)(CC3)2{1|H<1>,2|C<3>}	119.8960	6.934	2	119.8960	48.079	2	120.1530	17.322	4	120.1530	17.322	4	115.0236	14.117	65	117.9950	37.554	218
996	490	996	0:SP3_SP3_SP3	Si[4]	C	Si[4]	3:4:4:4:	4:4:4:4:	3:4:4:4:	C[4,6]-3:Si[4]-4:C-4:C-4:	Si[4]-4:C-4:C-4:C-4:	C[4,6]-3:Si[4]-4:C-4:C-4:	Si[4](C[4,6]C[4,6]C[6])(Si[4]C[4,6]CC)(CC3)2	C(Si[4]C[4,6]Si[4]C)(CH3)3	Si[4](C[4,6]C[4,6]C[5,6])(Si[4]C[4,6]CC)(CC3)2	Si[4](C[4,6]C[4,6]C[6])(Si[4]C[4,6]CC)(CC3)2{1|H<1>,2|C<3>}	C(Si[4]C[4,6]Si[4]C)(CH3)3	Si[4](C[4,6]C[4,6]C[5,6])(Si[4]C[4,6]CC)(CC3)2{1|N<3>,2|C<3>}	120.4100	1.904	2	120.4100	3.623	2	120.1530	17.322	4	120.1530	17.322	4	115.0236	14.117	65	117.9950	37.554	218
996	490	996	0:SP3_SP3_SP3	Si[4]	C	Si[4]	4:3:4:4:	4:1:1:1:	4:4:4:4:	Si[4]-4:Si[4]-3:C-4:C-4:	Si[4]-4:H-1:H-1:H-1:	Si[4]-4:Si[4]-4:Si-4:Si-4:	Si[4](Si[4]Si[4]Si2)(Si[4]Si[4]Si)(CH3)2	C(Si[4]Si[4]2C)(H)3	Si[4](Si[4]Si[4]CC)2(SiC3)2	Si[4](Si[4]Si[4]Si2)(Si[4]Si[4]Si)(CH3)2{2|C<4>}	C(Si[4]Si[4]2C)(H)3	Si[4](Si[4]Si[4]CC)2(SiC3)2{1|Si<4>}	112.7552	3.255	4	112.7552	10.597	4	112.7552	10.597	4	112.7552	10.597	4	115.0236	14.117	65	117.9950	37.554	218
996	490	996	0:SP3_SP3_SP3	Si[4]	C	Si[4]	4:4:4:4:	4:1:1:1:	4:3:4:4:	Si[4]-4:Si[4]-4:C-4:C-4:	Si[4]-4:H-1:H-1:H-1:	Si[4]-4:Ge[4]-3:Si-4:Si-4:	Si[4](Si[4]Ge[4]Si2)2(CH3)2	C(Si[4]Si[4]2C)(H)3	Si[4](Si[4]Si[4]CC)(Ge[4]Si[4]Ti)(SiC3)2	Si[4](Si[4]Ge[4]Si2)2(CH3)2{1|Ti<12>}	C(Si[4]Si[4]2C)(H)3	Si[4](Si[4]Si[4]CC)(Ge[4]Si[4]Ti)(SiC3)2{2|Si<4>}	115.2195	1.284	8	115.2195	1.649	8	115.2195	1.649	8	115.2195	1.649	8	115.0236	14.117	65	117.9950	37.554	218
996	490	996	0:SP3_SP3_SP3	Si[4]	C	Si[4]	4:4:4:4:	4:1:1:1:	4:4:4:4:	Ge[4,4]-4:Si[4]-4:C-4:C-4:	Si[4]-4:H-1:H-1:H-1:	Si[4]-4:Si[4]-4:Si-4:Si-4:	Si[4](Ge[4,4]Si[4]2C[4])(Si[4]Si[4]Si2)(CH3)2	C(Si[4]Ge[4,4]Si[4]C)(H)3	Si[4](Si[4]Ge[4,4]Si2)(Si[4]Ge[4,4]CC)(SiC3)2	Si[4](Ge[4,4]Si[4]2C[4])(Si[4]Si[4]Si2)(CH3)2{2|Si<4>,2|C<3>,2|C<4>}	C(Si[4]Ge[4,4]Si[4]C)(H)3	Si[4](Si[4]Ge[4,4]Si2)(Si[4]Ge[4,4]CC)(SiC3)2{1|Si<4>,1|C<3>}	115.5300	2.152	2	115.5300	4.633	2	115.5300	4.633	2	114.8402	12.548	10	115.0236	14.117	65	117.9950	37.554	218
996	490	996	0:SP3_SP3_SP3	Si[4]	C	Si[4]	4:4:4:4:	4:1:1:1:	4:4:4:4:	Si[4]-4:Si[4]-4:C-4:C-4:	Si[4]-4:H-1:H-1:H-1:	Si[3,4]-4:Si[4]-4:Si-4:Si-4:	Si[4](Si[4]Si[3,4]Si2)2(CH3)2	C(Si[4]Si[4]2C)(H)3	Si[4](Si[3,4]Si[3]2Si[4])(Si[4]Si[4]CC)(SiC3)2	Si[4](Si[4]Si[3,4]Si2)2(CH3)2{2|Si<4>}	C(Si[4]Si[4]2C)(H)3	Si[4](Si[3,4]Si[3]2Si[4])(Si[4]Si[4]CC)(SiC3)2{6|Si<4>}	114.5058	5.951	4	114.5058	35.409	4	114.5058	35.409	4	114.8402	12.548	10	115.0236	14.117	65	117.9950	37.554	218
996	490	996	0:SP3_SP3_SP3	Si[4]	C	Si[4]	4:4:4:4:	4:1:1:1:	4:4:4:4:	Si[4]-4:Si[4]-4:C-4:C-4:	Si[4]-4:H-1:H-1:H-1:	Si[4]-4:Si[4]-4:Si-4:Si-4:	Si[4](Si[4]Si[4]Si2)2(CH3)2	C(Si[4]Si[4]2C)(H)3	Si[4](Si[4]Si[4]CC)2(SiC3)2	Si[4](Si[4]Si[4]Si2)2(CH3)2{2|C<4>}	C(Si[4]Si[4]2C)(H)3	Si[4](Si[4]Si[4]CC)2(SiC3)2{2|Si<4>}	114.8298	0.473	4	114.8298	0.224	4	114.8298	0.224	4	114.8402	12.548	10	115.0236	14.117	65	117.9950	37.554	218
996	490	996	0:SP3_SP3_SP3	Si[4]	C	Si[4]	4:4:4:4:	4:4:4:1:	4:4:4:4:	Si[4,4]-4:Si[4]-4:C-4:C-4:	Si[4]-4:C-4:C-4:H-1:	Si[4,4]-4:Si[4]-4:C-4:C-4:	Si[4](Si[4,4]Si[4,4]2C)(Si[4]Si[4,4]CC)(CCCH)2	C(Si[4]Si[4,4]Si[4]C)(CH3)2(H)	Si[4](Si[4,4]Si[4,4]2C)(Si[4]Si[4,4]CC)(CCCH)2	Si[4](Si[4,4]Si[4,4]2C)(Si[4]Si[4,4]CC)(CCCH)2{2|Si<4>,2|C<4>}	C(Si[4]Si[4,4]Si[4]C)(CH3)2(H)	Si[4](Si[4,4]Si[4,4]2C)(Si[4]Si[4,4]CC)(CCCH)2{2|Si<4>,2|C<4>}	114.3181	4.035	27	114.3181	16.280	27	114.3181	16.280	27	114.3689	15.489	29	115.0236	14.117	65	117.9950	37.554	218
996	490	996	0:SP3_SP3_SP3	Si[4]	C	Si[4]	4:4:4:4:	4:4:4:1:	4:4:4:4:	Si[4]-4:Si[4]-4:C-4:C-4:	Si[4]-4:C-4:C-4:H-1:	Si[4]-4:Si[4]-4:C-4:C-4:	Si[4](Si[4]Si[4]CC)2(CCCH)2	C(Si[4]Si[4]2C)(CH3)2(H)	Si[4](Si[4]C[6a]2Si[4])(Si[4]Si[4]CC)(CC3)2	Si[4](Si[4]Si[4]CC)2(CCCH)2{2|C<3>}	C(Si[4]Si[4]2C)(CH3)2(H)	Si[4](Si[4]C[6a]2Si[4])(Si[4]Si[4]CC)(CC3)2{2|C<4>,4|C<3>}	115.0545	3.065	2	115.0545	9.396	2	115.0545	9.396	2	114.3689	15.489	29	115.0236	14.117	65	117.9950	37.554	218
996	490	996	0:SP3_SP3_SP3	Si[4]	C	Si[4]	4:4:4:4:	4:4:4:4:	4:4:3:3:	Si[4]-4:Si[4]-4:C-4:C-4:	Si[4]-4:C-4:C-4:C-4:	Si[4]-4:Si[4]-4:C[6a]-3:C[6a]-3:	Si[4](Si[4]C[6a]2Si[4])(Si[4]Si[4]CC)(CC3)2	C(Si[4]Si[4]2C)(CH3)3	Si[4](Si[4]Si[4]CC)2(C[6a]C[6a]2)2	Si[4](Si[4]C[6a]2Si[4])(Si[4]Si[4]CC)(CC3)2{2|C<4>,4|C<3>}	C(Si[4]Si[4]2C)(CH3)3	Si[4](Si[4]Si[4]CC)2(C[6a]C[6a]2)2{2|C<4>,4|C<3>,4|H<1>}	111.6805	2.232	2	111.6805	4.983	2	111.6805	4.983	2	111.6805	4.983	2	115.0236	14.117	65	117.9950	37.554	218
996	490	996	0:SP3_SP3_SP3	Si[4]	C	Si[4]	4:4:4:4:	4:4:4:4:	4:4:4:1:	Si[4]-4:C[4]-4:C-4:C-4:	Si[4]-4:C-4:C-4:C-4:	Si[4]-4:C[4]-4:Si-4:H-1:	Si[4](Si[4]C[4]SiH)(C[4]C[4]CC)(CC3)2	C(Si[4]Si[4]C[4]C)(CH3)3	Si[4](Si[4]C[4]CC)(C[4]C[4]HH)(SiSi3)(H)	Si[4](Si[4]C[4]SiH)(C[4]C[4]CC)(CC3)2{2|H<1>}	C(Si[4]Si[4]C[4]C)(CH3)3	Si[4](Si[4]C[4]CC)(C[4]C[4]HH)(SiSi3)(H){2|C<4>}	116.9595	6.660	2	116.9595	44.359	2	116.9595	44.359	2	116.9595	44.359	2	115.0236	14.117	65	117.9950	37.554	218
996	490	996	0:SP3_SP3_SP3	Si[4]	C	Si[4]	4:4:4:4:	4:4:4:4:	4:4:4:4:	Si[4]-4:Si[4]-4:C-4:C-4:	Si[4]-4:C-4:C-4:C-4:	Si[4]-4:Si[4]-4:C-4:C-4:	Si[4](Si[4]C[6a]2Si[4])(Si[4]Si[4]CC)(CC3)2	C(Si[4]Si[4]2C)(CH3)3	Si[4](Si[4]Si[4]CC)2(CCCH)2	Si[4](Si[4]C[6a]2Si[4])(Si[4]Si[4]CC)(CC3)2{2|C<4>,4|C<3>}	C(Si[4]Si[4]2C)(CH3)3	Si[4](Si[4]Si[4]CC)2(CCCH)2{2|C<3>}	115.0425	2.986	2	115.0425	8.917	2	115.0425	8.917	2	115.0425	8.917	2	115.0236	14.117	65	117.9950	37.554	218
996	490	996	0:SP3_SP3_SP3	Si[4x4]	C	Si[4x4]	4:4:3:4:	4:4:4:4:	4:4:3:4:	Si[4x4]-4:Si[4x4]-4:Si[4,4]-3:C-4:	Si[4x4]-4:C-4:C-4:C-4:	Si[4x4]-4:Si[4x4]-4:Si[4,4]-3:C-4:	Si[4x4](Si[4x4]Si[4,4]Si[4x4]C)2(Si[4,4]Si[4x4]Si[5])(CC3)	C(Si[4x4]Si[4,4]Si[4x4]2)(CH3)3	Si[4x4](Si[4x4]Si[4,4]Si[4x4]C)2(Si[4,4]Si[4x4]Si[5])(CC3)	Si[4x4](Si[4x4]Si[4,4]Si[4x4]C)2(Si[4,4]Si[4x4]Si[5])(CC3){1|Si<3>,3|C<4>}	C(Si[4x4]Si[4,4]Si[4x4]2)(CH3)3	Si[4x4](Si[4x4]Si[4,4]Si[4x4]C)2(Si[4,4]Si[4x4]Si[5])(CC3){1|Si<3>,3|C<4>}	123.1997	0.639	4	123.1997	0.408	4	123.1997	0.408	4	123.1997	0.408	4	123.1997	0.408	4	117.9950	37.554	218
996	542	542	5:SP3_SP2_SP2	Si[4,5]	N[5]	N[5]	3:3:3:3:	4:3:4:	4:3:4:	As[4]-3:As[4]-3:N[5]-3:N[5]-3:	Si[4,5]-4:C[5]-3:C-4:	Si[4,5]-4:C[5]-3:C-4:	Si[4,5](As[4]Si[4,5]Zn)2(N[5]C[5]C)2	N[5](Si[4,5]As[4]2N[5])(C[5]C[5]H)(CC3)	N[5](Si[4,5]As[4]2N[5])(C[5]C[5]H)(CC3)	Si[4,5](As[4]Si[4,5]Zn)2(N[5]C[5]C)2{2|H<1>,2|N<3>}	N[5](Si[4,5]As[4]2N[5])(C[5]C[5]H)(CC3){1|Si<4>,2|Zn<3>,1|C<4>,1|H<1>}	N[5](Si[4,5]As[4]2N[5])(C[5]C[5]H)(CC3){1|Si<4>,2|Zn<3>,1|C<4>,1|H<1>}	90.7573	0.000	1	90.7573	0.000	1	90.7573	0.000	1	90.7573	0.000	1	90.7573	0.000	1	90.7573	0.000	1
996	542	542	5:SP3_SP2_SP3	Si[4,5]	N[5]	N[5]	3:3:3:2:	4:3:3:	4:3:3:	N[4]-3:N[5]-3:N[5]-3:O[4]-2:	Si[4,5]-4:C[6a]-3:C[5]-3:	Si[4,5]-4:C[6a]-3:C[5]-3:	Si[4,5](N[4]B[5a]C[4])(N[5]C[6a]C[5])2(O[4]C[4])	N[5](Si[4,5]N[4]N[5]O[4])(C[6a]C[6a]2)(C[5]C[5]H)	N[5](Si[4,5]N[4]N[5]O[4])(C[6a]C[6a]2)(C[5]C[5]H)	Si[4,5](N[4]B[5a]C[4])(N[5]C[6a]C[5])2(O[4]C[4]){1|O<1>,2|H<1>,2|N<3>,4|C<3>}	N[5](Si[4,5]N[4]N[5]O[4])(C[6a]C[6a]2)(C[5]C[5]H){1|B<3>,1|H<1>,2|C<4>,4|C<3>}	N[5](Si[4,5]N[4]N[5]O[4])(C[6a]C[6a]2)(C[5]C[5]H){1|B<3>,1|H<1>,2|C<4>,4|C<3>}	94.2609	0.000	1	94.2609	0.000	1	94.2609	0.000	1	94.2609	0.000	1	94.2609	0.000	1	94.2609	0.000	1
996	542	818	5:SP3_SP2_SP2	Si[4,5]	N[5]	C[5]	3:3:3:3:	4:4:4:	4:4:3:	C[5]-3:N[5]-3:N[4]-3:N[4]-3:	Si[4,5]-4:Si[5]-4:Si-4:	Si[4,5]-4:C[3x6]-4:P[5]-3:	Si[4,5](C[5]C[3x6]P[5])(N[5]Si[5]Si)(N[4]C[4]C)2	N[5](Si[4,5]C[5]N[4]2)(Si[5]P[5]CC)(SiC3)	C[5](Si[4,5]N[4]2N[5])(C[3x6]C[6,6]3)(P[5]Si[5]C)	Si[4,5](C[5]C[3x6]P[5])(N[5]Si[5]Si)(N[4]C[4]C)2{1|C<3>,6|C<4>}	N[5](Si[4,5]C[5]N[4]2)(Si[5]P[5]CC)(SiC3){1|C<3>,4|C<4>}	C[5](Si[4,5]N[4]2N[5])(C[3x6]C[6,6]3)(P[5]Si[5]C){1|Si<4>,1|C<3>,6|H<1>,7|C<4>}	112.3350	0.000	1	112.3350	0.000	1	112.3350	0.000	1	112.3350	0.000	1	112.3350	0.000	1	112.3350	0.000	1
996	542	818	5:SP3_SP2_SP3	Si[4,5]	N[5]	C[5]	3:3:3:3:	4:4:4:	4:4:3:	C[5]-3:N[5]-3:N[4]-3:N[4]-3:	Si[4,5]-4:Si[5]-4:Si-4:	Si[4,5]-4:C[3x6]-4:P[5]-3:	Si[4,5](C[5]C[3x6]P[5])(N[5]Si[5]Si)(N[4]C[4]C)2	N[5](Si[4,5]C[5]N[4]2)(Si[5]P[5]CC)(SiC3)	C[5](Si[4,5]N[4]2N[5])(C[3x6]C[6,6]3)(P[5]Si[5]C)	Si[4,5](C[5]C[3x6]P[5])(N[5]Si[5]Si)(N[4]C[4]C)2{1|C<3>,6|C<4>}	N[5](Si[4,5]C[5]N[4]2)(Si[5]P[5]CC)(SiC3){1|C<3>,4|C<4>}	C[5](Si[4,5]N[4]2N[5])(C[3x6]C[6,6]3)(P[5]Si[5]C){1|Si<4>,1|C<3>,6|H<1>,7|C<4>}	112.5320	0.000	1	112.5320	0.000	1	112.5320	0.000	1	112.5320	0.000	1	112.5320	0.000	1	112.5320	0.000	1
996	542	941	0:SP3_SP2_SP2	Si[4,5]	N[5]	N	4:4:3:2:	4:3:4:	4:3:	N[4,5]-4:N[4,5]-4:N[5]-3:N-2:	Si[4,5]-4:C[5]-3:C-4:	Si[4,5]-4:B[5a]-3:	Si[4,5](N[4,5]Si[4,5]C[5]C)2(N[5]C[5]C)(NB[5a])	N[5](Si[4,5]N[4,5]2N)(C[5]C[5]H)(CC3)	N(Si[4,5]N[4,5]2N[5])(B[5a]N[5a]2)	Si[4,5](N[4,5]Si[4,5]C[5]C)2(N[5]C[5]C)(NB[5a]){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	N[5](Si[4,5]N[4,5]2N)(C[5]C[5]H)(CC3){1|Si<4>,1|C<3>,1|H<1>,2|C<4>}	N(Si[4,5]N[4,5]2N[5])(B[5a]N[5a]2)	121.4590	0.000	1	121.4590	0.000	1	121.4590	0.000	1	121.4590	0.000	1	121.4590	0.000	1	121.4590	0.000	1
996	542	956	0:SP3_SP2_SP2	Si[4,5]	N[5]	N	4:4:3:3:	4:3:3:	4:3:1:	C[4,5]-4:C[4,5]-4:N[5]-3:N-3:	Si[4,5]-4:C[6a]-3:C[5]-3:	Si[4,5]-4:C[6a]-3:H-1:	Si[4,5](C[4,5]C[4,5]C[5]C)2(N[5]C[6a]C[5])(NC[6a]H)	N[5](Si[4,5]C[4,5]2N)(C[6a]C[6a]2)(C[5]C[5]C)	N(Si[4,5]C[4,5]2N[5])(C[6a]C[6a]2)(H)	Si[4,5](C[4,5]C[4,5]C[5]C)2(N[5]C[6a]C[5])(NC[6a]H){1|H<1>,2|C<4>,5|C<3>}	N[5](Si[4,5]C[4,5]2N)(C[6a]C[6a]2)(C[5]C[5]C){1|H<1>,3|C<3>,5|C<4>}	N(Si[4,5]C[4,5]2N[5])(C[6a]C[6a]2)(H)	115.7180	0.000	1	115.7180	0.000	1	115.7180	0.000	1	115.7180	0.000	1	115.7180	0.000	1	115.7180	0.000	1
996	542	980	5:SP3_SP2_SP3	Si[4,5]	N[5]	N[4,5]	4:4:3:2:	4:3:4:	4:4:3:4:	N[4,5]-4:N[4,5]-4:N[5]-3:N-2:	Si[4,5]-4:C[5]-3:C-4:	Si[4,5]-4:Si[4,5]-4:C[5]-3:C-4:	Si[4,5](N[4,5]Si[4,5]C[5]C)2(N[5]C[5]C)(NB[5a])	N[5](Si[4,5]N[4,5]2N)(C[5]C[5]H)(CC3)	N[4,5](Si[4,5]N[4,5]N[5]N)2(C[5]C[5]H)(CC3)	Si[4,5](N[4,5]Si[4,5]C[5]C)2(N[5]C[5]C)(NB[5a]){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	N[5](Si[4,5]N[4,5]2N)(C[5]C[5]H)(CC3){1|Si<4>,1|C<3>,1|H<1>,2|C<4>}	N[4,5](Si[4,5]N[4,5]N[5]N)2(C[5]C[5]H)(CC3){1|H<1>,2|C<3>,3|C<4>}	102.4522	12.534	2	102.4522	157.097	2	102.4522	157.097	2	102.4522	157.097	2	102.4522	157.097	2	102.4522	157.097	2
996	562	846	0:SP3_SP2_SP3	Si[4,5]	Si[5]	C[4]	4:4:3:4:	4:4:4:4:	4:3:2:	Ge[4,5]-4:Si[5]-4:C[4]-3:Si-4:	Si[4,5]-4:Si[5]-4:C-4:C-4:	Si[4,5]-4:C[4]-3:C-2:	Si[4,5](Ge[4,5]Si[5]C[4]Si)(Si[5]Si[5]CC)(C[4]C[4]C)(SiC3)	Si[5](Si[4,5]Ge[4,5]C[4]Si)(Si[5]Si[5]CC)(CH3)2	C[4](Si[4,5]Ge[4,5]Si[5]Si)(C[4]Ge[4,5]Si)(CC)	Si[4,5](Ge[4,5]Si[5]C[4]Si)(Si[5]Si[5]CC)(C[4]C[4]C)(SiC3){3|Si<4>,2|C<4>}	Si[5](Si[4,5]Ge[4,5]C[4]Si)(Si[5]Si[5]CC)(CH3)2{3|Si<4>,1|C<2>,1|C<3>}	C[4](Si[4,5]Ge[4,5]Si[5]Si)(C[4]Ge[4,5]Si)(CC){3|Si<4>,2|C<4>}	108.0880	0.000	1	108.0880	0.000	1	108.0880	0.000	1	108.0880	0.000	1	108.0880	0.000	1	108.0880	0.000	1
996	562	880	0:SP3_SP3_SP3	Si[4,5]	Si[5]	Si	4:4:2:4:	4:4:4:4:	4:4:4:4:	Ge[4,5]-4:Si[5]-4:O[4]-2:Si-4:	Si[4,5]-4:Si[5]-4:C-4:C-4:	Si[4,5]-4:C-4:C-4:C-4:	Si[4,5](Ge[4,5]Si[5]C[4]Si)(Si[5]Si[5]CC)(O[4]C[4])(SiC3)	Si[5](Si[4,5]Ge[4,5]O[4]Si)(Si[5]Si[5]CC)(CH3)2	Si(Si[4,5]Ge[4,5]Si[5]O[4])(CH3)3	Si[4,5](Ge[4,5]Si[5]C[4]Si)(Si[5]Si[5]CC)(O[4]C[4])(SiC3){2|Si<4>,2|C<3>,2|C<4>}	Si[5](Si[4,5]Ge[4,5]O[4]Si)(Si[5]Si[5]CC)(CH3)2{3|Si<4>,1|C<4>}	Si(Si[4,5]Ge[4,5]Si[5]O[4])(CH3)3	114.8850	0.000	1	114.8850	0.000	1	114.8850	0.000	1	114.8850	0.000	1	113.3767	4.571	3	113.3767	4.571	3
996	562	880	0:SP3_SP3_SP3	Si[4,5]	Si[5]	Si	4:4:3:4:	4:4:4:4:	4:4:4:4:	Ge[4,5]-4:Si[5]-4:C[4]-3:Si-4:	Si[4,5]-4:Si[5]-4:C-4:C-4:	Si[4,5]-4:C-4:C-4:C-4:	Si[4,5](Ge[4,5]Si[5]C[4]Si)(Si[5]Si[5]CC)(C[4]C[4]C)(SiC3)	Si[5](Si[4,5]Ge[4,5]C[4]Si)(Si[5]Si[5]CC)(CH3)2	Si(Si[4,5]Ge[4,5]Si[5]C[4])(CH3)3	Si[4,5](Ge[4,5]Si[5]C[4]Si)(Si[5]Si[5]CC)(C[4]C[4]C)(SiC3){3|Si<4>,2|C<4>}	Si[5](Si[4,5]Ge[4,5]C[4]Si)(Si[5]Si[5]CC)(CH3)2{3|Si<4>,1|C<2>,1|C<3>}	Si(Si[4,5]Ge[4,5]Si[5]C[4])(CH3)3	114.3150	0.000	1	114.3150	0.000	1	114.3150	0.000	1	114.3150	0.000	1	113.3767	4.571	3	113.3767	4.571	3
996	562	880	0:SP3_SP3_SP3	Si[4,5]	Si[5]	Si	4:4:4:4:	4:4:4:4:	4:4:4:4:	Ge[4,5]-4:Si[4,5]-4:Si[5]-4:Si-4:	Si[4,5]-4:Si[5]-4:C-4:C-4:	Si[4,5]-4:C-4:C-4:C-4:	Si[4,5](Ge[4,5]Ge[4,5]Si[5]Si)(Si[4,5]Ge[4,5]Si[5]Si)(Si[5]Si[5]CC)(SiC3)	Si[5](Si[4,5]Ge[4,5]Si[4,5]Si)(Si[5]Si[5]CC)(CH3)2	Si(Si[4,5]Ge[4,5]Si[4,5]Si[5])(CH3)3	Si[4,5](Ge[4,5]Ge[4,5]Si[5]Si)(Si[4,5]Ge[4,5]Si[5]Si)(Si[5]Si[5]CC)(SiC3){5|Si<4>,4|C<4>}	Si[5](Si[4,5]Ge[4,5]Si[4,5]Si)(Si[5]Si[5]CC)(CH3)2{1|Ge<4>,5|Si<4>}	Si(Si[4,5]Ge[4,5]Si[4,5]Si[5])(CH3)3	110.9300	0.000	1	110.9300	0.000	1	110.9300	0.000	1	110.9300	0.000	1	113.3767	4.571	3	113.3767	4.571	3
996	562	907	5:SP3_SP3_SP3	Si[4,5]	Si[5]	Ge[4,5]	4:4:2:4:	4:4:4:4:	4:4:4:4:	Ge[4,5]-4:Si[5]-4:O[4]-2:Si-4:	Si[4,5]-4:Si[5]-4:C-4:C-4:	Si[4,5]-4:C[4]-4:Si[5]-4:Si-4:	Si[4,5](Ge[4,5]Si[5]C[4]Si)(Si[5]Si[5]CC)(O[4]C[4])(SiC3)	Si[5](Si[4,5]Ge[4,5]O[4]Si)(Si[5]Si[5]CC)(CH3)2	Ge[4,5](Si[4,5]Si[5]O[4]Si)(C[4]C[6a]2O[4])(Si[5]Si[5]Si2)(SiC3)	Si[4,5](Ge[4,5]Si[5]C[4]Si)(Si[5]Si[5]CC)(O[4]C[4])(SiC3){2|Si<4>,2|C<3>,2|C<4>}	Si[5](Si[4,5]Ge[4,5]O[4]Si)(Si[5]Si[5]CC)(CH3)2{3|Si<4>,1|C<4>}	Ge[4,5](Si[4,5]Si[5]O[4]Si)(C[4]C[6a]2O[4])(Si[5]Si[5]Si2)(SiC3){4|C<3>,4|C<4>}	108.6950	0.000	1	108.6950	0.000	1	108.6950	0.000	1	108.6950	0.000	1	106.0803	19.735	3	106.0803	19.735	3
996	562	907	5:SP3_SP3_SP3	Si[4,5]	Si[5]	Ge[4,5]	4:4:3:4:	4:4:4:4:	4:4:3:4:	Ge[4,5]-4:Si[5]-4:C[4]-3:Si-4:	Si[4,5]-4:Si[5]-4:C-4:C-4:	Si[4,5]-4:Si[5]-4:C[4]-3:Si-4:	Si[4,5](Ge[4,5]Si[5]C[4]Si)(Si[5]Si[5]CC)(C[4]C[4]C)(SiC3)	Si[5](Si[4,5]Ge[4,5]C[4]Si)(Si[5]Si[5]CC)(CH3)2	Ge[4,5](Si[4,5]Si[5]C[4]Si)(Si[5]Si[5]Si2)(C[4]C[4]Si)(SiC3)	Si[4,5](Ge[4,5]Si[5]C[4]Si)(Si[5]Si[5]CC)(C[4]C[4]C)(SiC3){3|Si<4>,2|C<4>}	Si[5](Si[4,5]Ge[4,5]C[4]Si)(Si[5]Si[5]CC)(CH3)2{3|Si<4>,1|C<2>,1|C<3>}	Ge[4,5](Si[4,5]Si[5]C[4]Si)(Si[5]Si[5]Si2)(C[4]C[4]Si)(SiC3){1|C<2>,4|C<4>}	108.5950	0.000	1	108.5950	0.000	1	108.5950	0.000	1	108.5950	0.000	1	106.0803	19.735	3	106.0803	19.735	3
996	562	907	5:SP3_SP3_SP3	Si[4,5]	Si[5]	Ge[4,5]	4:4:4:4:	4:4:4:4:	4:4:4:4:	Ge[4,5]-4:Si[4,5]-4:Si[5]-4:Si-4:	Si[4,5]-4:Si[5]-4:C-4:C-4:	Ge[4,5]-4:Si[4,5]-4:Si[5]-4:Si-4:	Si[4,5](Ge[4,5]Ge[4,5]Si[5]Si)(Si[4,5]Ge[4,5]Si[5]Si)(Si[5]Si[5]CC)(SiC3)	Si[5](Si[4,5]Ge[4,5]Si[4,5]Si)(Si[5]Si[5]CC)(CH3)2	Ge[4,5](Ge[4,5]Si[4,5]Si[5]Si)(Si[4,5]Si[4,5]Si[5]Si)(Si[5]Si[5]Si2)(SiC3)	Si[4,5](Ge[4,5]Ge[4,5]Si[5]Si)(Si[4,5]Ge[4,5]Si[5]Si)(Si[5]Si[5]CC)(SiC3){5|Si<4>,4|C<4>}	Si[5](Si[4,5]Ge[4,5]Si[4,5]Si)(Si[5]Si[5]CC)(CH3)2{1|Ge<4>,5|Si<4>}	Ge[4,5](Ge[4,5]Si[4,5]Si[5]Si)(Si[4,5]Si[4,5]Si[5]Si)(Si[5]Si[5]Si2)(SiC3){5|Si<4>,4|C<4>}	100.9510	0.000	1	100.9510	0.000	1	100.9510	0.000	1	100.9510	0.000	1	106.0803	19.735	3	106.0803	19.735	3
996	562	996	5:SP3_SP3_SP3	Si[4,5]	Si[5]	Si[4,5]	4:4:4:4:	4:4:4:4:	4:4:4:4:	Ge[4,5]-4:Si[4,5]-4:Si[5]-4:Si-4:	Si[4,5]-4:Si[5]-4:C-4:C-4:	Ge[4,5]-4:Si[4,5]-4:Si[5]-4:Si-4:	Si[4,5](Ge[4,5]Ge[4,5]Si[5]Si)(Si[4,5]Ge[4,5]Si[5]Si)(Si[5]Si[5]CC)(SiC3)	Si[5](Si[4,5]Ge[4,5]Si[4,5]Si)(Si[5]Si[5]CC)(CH3)2	Si[4,5](Ge[4,5]Ge[4,5]Si[5]Si)(Si[4,5]Ge[4,5]Si[5]Si)(Si[5]Si[5]CC)(SiC3)	Si[4,5](Ge[4,5]Ge[4,5]Si[5]Si)(Si[4,5]Ge[4,5]Si[5]Si)(Si[5]Si[5]CC)(SiC3){5|Si<4>,4|C<4>}	Si[5](Si[4,5]Ge[4,5]Si[4,5]Si)(Si[5]Si[5]CC)(CH3)2{1|Ge<4>,5|Si<4>}	Si[4,5](Ge[4,5]Ge[4,5]Si[5]Si)(Si[4,5]Ge[4,5]Si[5]Si)(Si[5]Si[5]CC)(SiC3){5|Si<4>,4|C<4>}	107.0640	0.000	1	107.0640	0.000	1	107.0640	0.000	1	107.0640	0.000	1	107.0640	0.000	1	107.0640	0.000	1
996	598	598	0:SP3_SP2_SP2	Si[4x4]	Si[4,4]	Si[4,4]	3:3:3:3:	4:3:3:	4:3:3:	Si[4,4]-3:Si[4,4]-3:Si[4,4]-3:Si[4,4]-3:	Si[4x4]-4:Si[4]-3:Si[4]-3:	Si[4x4]-4:Si[4]-3:Si[4]-3:	Si[4x4](Si[4,4]Si[4]2)4	Si[4,4](Si[4x4]Si[4,4]3)(Si[4]Si[4,4]Cu)2	Si[4,4](Si[4x4]Si[4,4]3)(Si[4]Si[4,4]Cu)2	Si[4x4](Si[4,4]Si[4]2)4{1|Cu<5>}	Si[4,4](Si[4x4]Si[4,4]3)(Si[4]Si[4,4]Cu)2{2|Si<3>}	Si[4,4](Si[4x4]Si[4,4]3)(Si[4]Si[4,4]Cu)2{2|Si<3>}	100.2212	0.588	2	100.2212	0.346	2	100.2212	0.346	2	100.2212	0.346	2	100.2212	0.346	2	100.2212	0.346	2
996	598	598	4:SP3_SP2_SP2	Si[3x4,5]	Si[4,4,5,5]	Si[4,4,5,5]	3:3:4:4:	4:4:4:	4:4:4:	Si[4,4,5,5]-3:Si[4,4,5,5]-3:Si[3,4,4]-4:C-4:	Si[3,4,5,5]-4:Si[3x4,5]-4:Si[4,5,5]-4:	Si[3,4,5,5]-4:Si[3x4,5]-4:Si[4,5,5]-4:	Si[3x4,5](Si[4,4,5,5]Si[3,4,5,5]Si[4,5,5])2(Si[3,4,4]Si[3,4,5,5]2C)(CC3)	Si[4,4,5,5](Si[3,4,5,5]Si[3,4,5,5]Si[3,4,4]C)(Si[3x4,5]Si[4,4,5,5]Si[3,4,4]C)(Si[4,5,5]Si[4,4,5,5]C[5]2)	Si[4,4,5,5](Si[3,4,5,5]Si[3,4,5,5]Si[3,4,4]C)(Si[3x4,5]Si[4,4,5,5]Si[3,4,4]C)(Si[4,5,5]Si[4,4,5,5]C[5]2)	Si[3x4,5](Si[4,4,5,5]Si[3,4,5,5]Si[4,5,5])2(Si[3,4,4]Si[3,4,5,5]2C)(CC3){4|C<4>}	Si[4,4,5,5](Si[3,4,5,5]Si[3,4,5,5]Si[3,4,4]C)(Si[3x4,5]Si[4,4,5,5]Si[3,4,4]C)(Si[4,5,5]Si[4,4,5,5]C[5]2){4|Si<4>,4|C<4>}	Si[4,4,5,5](Si[3,4,5,5]Si[3,4,5,5]Si[3,4,4]C)(Si[3x4,5]Si[4,4,5,5]Si[3,4,4]C)(Si[4,5,5]Si[4,4,5,5]C[5]2){4|Si<4>,4|C<4>}	69.2604	0.000	1	69.2604	0.000	1	69.2604	0.000	1	69.2604	0.000	1	69.2604	0.000	1	67.0279	1.947	15
996	598	598	4:SP3_SP2_SP2	Si[4,4]	Si[3x4]	Si[3x4]	3:3:3:3:	4:4:4:	4:4:4:	Si[3x4]-3:Si[3x4]-3:C[6a]-3:C[6a]-3:	Si[4,4]-4:Si[4,4]-4:Si[4,4]-4:	Si[4,4]-4:Si[4,4]-4:Si[4,4]-4:	Si[4,4](Si[3x4]Si[4,4]2)2(C[6a]C[6a]2)2	Si[3x4](Si[4,4]Si[3x4]C[6a]2)3	Si[3x4](Si[4,4]Si[3x4]C[6a]2)3	Si[4,4](Si[3x4]Si[4,4]2)2(C[6a]C[6a]2)2{4|C<4>,8|C<3>}	Si[3x4](Si[4,4]Si[3x4]C[6a]2)3{12|C<3>}	Si[3x4](Si[4,4]Si[3x4]C[6a]2)3{12|C<3>}	68.4282	0.141	3	68.4282	0.020	3	68.4282	0.020	3	68.4282	0.020	3	68.4282	0.020	3	67.0279	1.947	15
996	598	598	4:SP3_SP2_SP2	Si[4,5,5]	Si[4,4,5,5]	Si[4,4,5,5]	3:3:4:4:	4:4:4:	4:4:4:	Si[4,4,5,5]-3:Si[4,4,5,5]-3:C[5]-4:C[5]-4:	Si[3,4,5,5]-4:Si[3x4,5]-4:Si[4,5,5]-4:	Si[3,4,5,5]-4:Si[3x4,5]-4:Si[4,5,5]-4:	Si[4,5,5](Si[4,4,5,5]Si[3,4,5,5]Si[3x4,5])2(C[5]C[5]Si2)2	Si[4,4,5,5](Si[3,4,5,5]Si[3,4,5,5]Si[3,4,4]C)(Si[3x4,5]Si[4,4,5,5]Si[3,4,4]C)(Si[4,5,5]Si[4,4,5,5]C[5]2)	Si[4,4,5,5](Si[3,4,5,5]Si[3,4,5,5]Si[3,4,4]C)(Si[3x4,5]Si[4,4,5,5]Si[3,4,4]C)(Si[4,5,5]Si[4,4,5,5]C[5]2)	Si[4,5,5](Si[4,4,5,5]Si[3,4,5,5]Si[3x4,5])2(C[5]C[5]Si2)2{1|Si<4>,3|C<4>,4|H<1>}	Si[4,4,5,5](Si[3,4,5,5]Si[3,4,5,5]Si[3,4,4]C)(Si[3x4,5]Si[4,4,5,5]Si[3,4,4]C)(Si[4,5,5]Si[4,4,5,5]C[5]2){4|Si<4>,4|C<4>}	Si[4,4,5,5](Si[3,4,5,5]Si[3,4,5,5]Si[3,4,4]C)(Si[3x4,5]Si[4,4,5,5]Si[3,4,4]C)(Si[4,5,5]Si[4,4,5,5]C[5]2){4|Si<4>,4|C<4>}	68.8611	0.000	1	68.8611	0.000	1	68.8611	0.000	1	68.8611	0.000	1	68.8611	0.000	1	67.0279	1.947	15
996	598	598	4:SP3_SP2_SP2	Si[4,5]	Si[4]	Si[4]	3:3:4:4:	4:4:1:	4:4:1:	Si[4]-3:Si[4]-3:C[5]-4:C[5]-4:	Si[4,5]-4:Si[4,5]-4:Cl-1:	Si[4,5]-4:Si[4,5]-4:Cl-1:	Si[4,5](Si[4]Si[4,5]Cl)2(C[5]C[5]Si2)2	Si[4](Si[4,5]Si[4]C[5]2)2(Cl)	Si[4](Si[4,5]Si[4]C[5]2)2(Cl)	Si[4,5](Si[4]Si[4,5]Cl)2(C[5]C[5]Si2)2{2|C<4>,4|H<1>}	Si[4](Si[4,5]Si[4]C[5]2)2(Cl){1|Cl<1>,8|Si<4>,4|C<4>}	Si[4](Si[4,5]Si[4]C[5]2)2(Cl){1|Cl<1>,8|Si<4>,4|C<4>}	67.2556	0.000	1	67.2556	0.000	1	67.2556	0.000	1	66.2140	1.099	4	66.2140	1.099	4	67.0279	1.947	15
996	598	598	4:SP3_SP2_SP2	Si[4,5]	Si[4]	Si[4]	3:3:4:4:	4:4:1:	4:4:1:	Si[4]-3:Si[4]-3:C[5]-4:C[5]-4:	Si[4,5]-4:Si[4,5]-4:I-1:	Si[4,5]-4:Si[4,5]-4:I-1:	Si[4,5](Si[4]Si[4,5]I)2(C[5]C[5]Si2)2	Si[4](Si[4,5]Si[4]C[5]2)2(I)	Si[4](Si[4,5]Si[4]C[5]2)2(I)	Si[4,5](Si[4]Si[4,5]I)2(C[5]C[5]Si2)2{2|C<4>,4|H<1>}	Si[4](Si[4,5]Si[4]C[5]2)2(I){8|Si<4>,1|I<1>,4|C<4>}	Si[4](Si[4,5]Si[4]C[5]2)2(I){8|Si<4>,1|I<1>,4|C<4>}	65.8668	0.962	3	65.8668	0.925	3	65.8668	0.925	3	66.2140	1.099	4	66.2140	1.099	4	67.0279	1.947	15
996	598	598	4:SP3_SP2_SP2	Si[4x4]	Si[4,4]	Si[4,4]	3:3:3:3:	4:3:3:	4:3:3:	Si[4,4]-3:Si[4,4]-3:Si[4,4]-3:Si[4,4]-3:	Si[4x4]-4:Si[4]-3:Si[4]-3:	Si[4x4]-4:Si[4]-3:Si[4]-3:	Si[4x4](Si[4,4]Si[4]2)4	Si[4,4](Si[4x4]Si[4,4]3)(Si[4]Si[4,4]Cu)2	Si[4,4](Si[4x4]Si[4,4]3)(Si[4]Si[4,4]Cu)2	Si[4x4](Si[4,4]Si[4]2)4{1|Cu<5>}	Si[4,4](Si[4x4]Si[4,4]3)(Si[4]Si[4,4]Cu)2{2|Si<3>}	Si[4,4](Si[4x4]Si[4,4]3)(Si[4]Si[4,4]Cu)2{2|Si<3>}	65.7163	0.210	4	65.7163	0.044	4	65.7163	0.044	4	65.7163	0.044	4	65.7163	0.044	4	67.0279	1.947	15
996	598	598	4:SP3_SP2_SP2	Si[4x4]	Si[4x4]	Si[4x4]	4:3:3:3:	4:4:3:	4:4:3:	Si[4,4]-4:Si[4x4]-3:Si[4x4]-3:C[6a]-3:	Si[4x4]-4:Si[4x4]-4:B[4,4]-3:	Si[4x4]-4:Si[4x4]-4:B[4,4]-3:	Si[4x4](Si[4,4]Si[4x4]C[6a]2)(Si[4x4]Si[4x4]B[4,4])2(C[6a]C[6a]2)	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)	Si[4x4](Si[4,4]Si[4x4]C[6a]2)(Si[4x4]Si[4x4]B[4,4])2(C[6a]C[6a]2){1|N<3>,2|C<4>,7|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>}	67.1458	0.078	2	67.1458	0.006	2	67.1458	0.006	2	67.1458	0.006	2	67.1458	0.006	2	67.0279	1.947	15
996	598	598	6:SP3_SP2_SP2	Si[4,4,4x5,6]	Si[4,5,5,6,6]	Si[4,5,5,6,6]	3:3:2:2:	4:2:2:	4:2:2:	Si[4,5,5,6,6]-3:Si[4,5,5,6,6]-3:Si[4,5,5]-2:Si[4,5,5]-2:	Si[4,4,4x5,6]-4:Si[5,5,6,6]-2:Si[4,6]-2:	Si[4,4,4x5,6]-4:Si[5,5,6,6]-2:Si[4,6]-2:	Si[4,4,4x5,6](Si[4,5,5,6,6]Si[5,5,6,6]Si[4,6])2(Si[4,5,5]Si[4,4x5,6,6])2	Si[4,5,5,6,6](Si[4,4,4x5,6]Si[4,5,5,6,6]Si[4,5,5]2)(Si[5,5,6,6]Si[4,4x5,6,6])(Si[4,6]Si[4,5,5,6,6])	Si[4,5,5,6,6](Si[4,4,4x5,6]Si[4,5,5,6,6]Si[4,5,5]2)(Si[5,5,6,6]Si[4,4x5,6,6])(Si[4,6]Si[4,5,5,6,6])	Si[4,4,4x5,6](Si[4,5,5,6,6]Si[5,5,6,6]Si[4,6])2(Si[4,5,5]Si[4,4x5,6,6])2	Si[4,5,5,6,6](Si[4,4,4x5,6]Si[4,5,5,6,6]Si[4,5,5]2)(Si[5,5,6,6]Si[4,4x5,6,6])(Si[4,6]Si[4,5,5,6,6]){1|Si<2>}	Si[4,5,5,6,6](Si[4,4,4x5,6]Si[4,5,5,6,6]Si[4,5,5]2)(Si[5,5,6,6]Si[4,4x5,6,6])(Si[4,6]Si[4,5,5,6,6]){1|Si<2>}	64.4995	0.000	1	64.4995	0.000	1	64.4995	0.000	1	64.4995	0.000	1	64.4995	0.000	1	64.4995	0.000	1
996	598	643	0:SP3_SP2_SP2	Si[4,4]	Si[3x4]	C[6a]	3:3:3:3:	4:4:4:	4:3:3:	Si[3x4]-3:Si[3x4]-3:C[6a]-3:C[6a]-3:	Si[4,4]-4:Si[4,4]-4:Si[4,4]-4:	Si[4,4]-4:C[6a]-3:C[6a]-3:	Si[4,4](Si[3x4]Si[4,4]2)2(C[6a]C[6a]2)2	Si[3x4](Si[4,4]Si[3x4]C[6a]2)3	C[6a](Si[4,4]Si[3x4]2C[6a])(C[6a]C[6a]C)2	Si[4,4](Si[3x4]Si[4,4]2)2(C[6a]C[6a]2)2{4|C<4>,8|C<3>}	Si[3x4](Si[4,4]Si[3x4]C[6a]2)3{12|C<3>}	C[6a](Si[4,4]Si[3x4]2C[6a])(C[6a]C[6a]C)2{2|Si<4>,2|H<1>,3|C<3>}	117.8863	1.799	12	117.8863	3.237	12	117.8863	3.237	12	117.8863	3.237	12	117.8863	3.237	12	119.9026	23.750	16
996	598	643	0:SP3_SP2_SP2	Si[4x4]	Si[4x4]	C[6a]	4:3:3:3:	4:4:3:	4:3:3:	Si[4,4]-4:Si[4x4]-3:Si[4x4]-3:C[6a]-3:	Si[4x4]-4:Si[4x4]-4:B[4,4]-3:	Si[4x4]-4:C[6a]-3:C[6a]-3:	Si[4x4](Si[4,4]Si[4x4]C[6a]2)(Si[4x4]Si[4x4]B[4,4])2(C[6a]C[6a]2)	Si[4x4](Si[4x4]Si[4,4]Si[4x4]C[6a])2(B[4,4]Si[4x4]N)	C[6a](Si[4x4]Si[4,4]Si[4x4]2)(C[6a]C[6a]C)2	Si[4x4](Si[4,4]Si[4x4]C[6a]2)(Si[4x4]Si[4x4]B[4,4])2(C[6a]C[6a]2){1|N<3>,2|C<4>,7|C<3>}	Si[4x4](Si[4x4]Si[4,4]Si[4x4]C[6a])2(B[4,4]Si[4x4]N){6|C<3>}	C[6a](Si[4x4]Si[4,4]Si[4x4]2)(C[6a]C[6a]C)2{1|Si<4>,1|B<3>,2|H<1>,3|C<3>}	125.9518	6.468	4	125.9518	41.830	4	125.9518	41.830	4	125.9518	41.830	4	125.9518	41.830	4	119.9026	23.750	16
996	598	846	4:SP3_SP2_SP2	Si[4]	Si[4]	C[4]	3:3:3:4:	3:4:4:	3:4:1:	Si[4]-3:C[4]-3:C-3:Si-4:	C[4]-3:Si[4]-4:Si-4:	C[4]-3:Si[4]-4:H-1:	Si[4](Si[4]C[4]Si)(C[4]C[4]H)(CC[6a]C)(SiC3)	Si[4](C[4]C[6a]C[4])(Si[4]C[4]SiC)(SiC3)	C[4](C[4]C[6a]Si[4])(Si[4]Si[4]SiC)(H)	Si[4](Si[4]C[4]Si)(C[4]C[4]H)(CC[6a]C)(SiC3){1|C<3>}	Si[4](C[4]C[6a]C[4])(Si[4]C[4]SiC)(SiC3){1|H<1>,2|C<3>}	C[4](C[4]C[6a]Si[4])(Si[4]Si[4]SiC)(H){1|Si<4>,2|C<3>}	75.0623	0.000	1	75.0623	0.000	1	75.0623	0.000	1	75.0623	0.000	1	78.9390	30.058	2	78.9390	30.058	2
996	598	846	4:SP3_SP2_SP2	Si[4]	Si[4]	C[4]	3:3:4:4:	4:3:4:	4:3:2:	Si[4]-3:C[4]-3:Si-4:Si-4:	Si[4]-4:Si[4]-3:Si-4:	Si[4]-4:Si[4]-3:N-2:	Si[4](Si[4]Si[4]Si)(C[4]Si[4]N)(SiC3)2	Si[4](Si[4]C[4]Si2)(Si[4]C[4]Si)(SiC3)	C[4](Si[4]Si[4]Si2)(Si[4]Si[4]Si)(NC[6a])	Si[4](Si[4]Si[4]Si)(C[4]Si[4]N)(SiC3)2{1|Si<4>}	Si[4](Si[4]C[4]Si2)(Si[4]C[4]Si)(SiC3){1|N<2>}	C[4](Si[4]Si[4]Si2)(Si[4]Si[4]Si)(NC[6a]){1|Si<4>}	82.8158	0.000	1	82.8158	0.000	1	82.8158	0.000	1	82.8158	0.000	1	78.9390	30.058	2	78.9390	30.058	2
996	598	859	5:SP3_SP1_SP2	Si[4,4,4x5,6]	Si[4,5,5,6,6]	Si[4,5,5]	3:3:2:2:	4:2:2:	4:4:	Si[4,5,5,6,6]-3:Si[4,5,5,6,6]-3:Si[4,5,5]-2:Si[4,5,5]-2:	Si[4,4,4x5,6]-4:Si[5,5,6,6]-2:Si[4,6]-2:	Si[4,4,4x5,6]-4:Si[4,4x5,6,6]-4:	Si[4,4,4x5,6](Si[4,5,5,6,6]Si[5,5,6,6]Si[4,6])2(Si[4,5,5]Si[4,4x5,6,6])2	Si[4,5,5,6,6](Si[4,4,4x5,6]Si[4,5,5,6,6]Si[4,5,5]2)(Si[5,5,6,6]Si[4,4x5,6,6])(Si[4,6]Si[4,5,5,6,6])	Si[4,5,5](Si[4,4,4x5,6]Si[4,5,5,6,6]2Si[4,5,5])(Si[4,4x5,6,6]Si[5,5,6,6]2Si[4,5,5])	Si[4,4,4x5,6](Si[4,5,5,6,6]Si[5,5,6,6]Si[4,6])2(Si[4,5,5]Si[4,4x5,6,6])2	Si[4,5,5,6,6](Si[4,4,4x5,6]Si[4,5,5,6,6]Si[4,5,5]2)(Si[5,5,6,6]Si[4,4x5,6,6])(Si[4,6]Si[4,5,5,6,6]){1|Si<2>}	Si[4,5,5](Si[4,4,4x5,6]Si[4,5,5,6,6]2Si[4,5,5])(Si[4,4x5,6,6]Si[5,5,6,6]2Si[4,5,5]){1|Si<2>}	83.4707	19.235	4	83.4707	369.985	4	83.4707	369.985	4	83.4707	369.985	4	83.4707	369.985	4	83.4707	369.985	4
996	598	872	4:SP3_SP2_SP3	Si[3x4,5]	Si[4,4,5,5]	Si[3,4,4]	3:3:4:4:	4:4:4:	4:4:4:4:	Si[4,4,5,5]-3:Si[4,4,5,5]-3:Si[3,4,4]-4:C-4:	Si[3,4,5,5]-4:Si[3x4,5]-4:Si[4,5,5]-4:	Si[3,4,5,5]-4:Si[3,4,5,5]-4:Si[3x4,5]-4:C-4:	Si[3x4,5](Si[4,4,5,5]Si[3,4,5,5]Si[4,5,5])2(Si[3,4,4]Si[3,4,5,5]2C)(CC3)	Si[4,4,5,5](Si[3,4,5,5]Si[3,4,5,5]Si[3,4,4]C)(Si[3x4,5]Si[4,4,5,5]Si[3,4,4]C)(Si[4,5,5]Si[4,4,5,5]C[5]2)	Si[3,4,4](Si[3,4,5,5]Si[3,4,5,5]Si[4,4,5,5]C)2(Si[3x4,5]Si[4,4,5,5]2C)(CC3)	Si[3x4,5](Si[4,4,5,5]Si[3,4,5,5]Si[4,5,5])2(Si[3,4,4]Si[3,4,5,5]2C)(CC3){4|C<4>}	Si[4,4,5,5](Si[3,4,5,5]Si[3,4,5,5]Si[3,4,4]C)(Si[3x4,5]Si[4,4,5,5]Si[3,4,4]C)(Si[4,5,5]Si[4,4,5,5]C[5]2){4|Si<4>,4|C<4>}	Si[3,4,4](Si[3,4,5,5]Si[3,4,5,5]Si[4,4,5,5]C)2(Si[3x4,5]Si[4,4,5,5]2C)(CC3){1|Si<4>}	90.8881	0.566	2	90.8881	0.320	2	90.8881	0.320	2	90.8881	0.320	2	90.8881	0.320	2	90.8881	0.320	2
996	598	880	0:SP3_SP2_SP3	Si[4]	Si[4]	Si	3:2:4:4:	4:3:4:	4:4:4:4:	Si[4]-3:Se[4]-2:Si-4:Si-4:	Si[4]-4:Si[4]-3:Si-4:	Si[4]-4:C-4:C-4:C-4:	Si[4](Si[4]Si[4]Si)(Se[4]Si[4])(SiC3)2	Si[4](Si[4]Se[4]Si2)(Si[4]Se[4]Si)(SiC3)	Si(Si[4]Se[4]Si[4]Si)(CC3)2(CH3)	Si[4](Si[4]Si[4]Si)(Se[4]Si[4])(SiC3)2{1|Si<4>}	Si[4](Si[4]Se[4]Si2)(Si[4]Se[4]Si)(SiC3)	Si(Si[4]Se[4]Si[4]Si)(CC3)2(CH3)	117.3850	5.134	2	117.3850	26.354	2	117.3850	26.354	2	117.3850	26.354	2	120.6563	114.416	6	120.6563	114.416	6
996	598	880	0:SP3_SP2_SP3	Si[4]	Si[4]	Si	3:3:3:4:	3:4:4:	4:4:4:4:	Si[4]-3:C[4]-3:C-3:Si-4:	C[4]-3:Si[4]-4:Si-4:	Si[4]-4:C-4:C-4:C-4:	Si[4](Si[4]C[4]Si)(C[4]C[4]H)(CC[6a]C)(SiC3)	Si[4](C[4]C[6a]C[4])(Si[4]C[4]SiC)(SiC3)	Si(Si[4]Si[4]C[4]C)(CC3)2(CH3)	Si[4](Si[4]C[4]Si)(C[4]C[4]H)(CC[6a]C)(SiC3){1|C<3>}	Si[4](C[4]C[6a]C[4])(Si[4]C[4]SiC)(SiC3){1|H<1>,2|C<3>}	Si(Si[4]Si[4]C[4]C)(CC3)2(CH3)	132.2700	0.000	1	132.2700	0.000	1	132.2700	0.000	1	132.2700	0.000	1	120.6563	114.416	6	120.6563	114.416	6
996	598	880	0:SP3_SP2_SP3	Si[4]	Si[4]	Si	3:3:4:1:	3:4:4:	4:4:4:4:	N[4,6]-3:Si[4]-3:Si-4:H-1:	C[4,6]-3:Si[4]-4:Si-4:	Si[4]-4:C-4:C-4:C-4:	Si[4](N[4,6]C[4,6]C[6])(Si[4]C[4,6]Si)(SiC3)(H)	Si[4](C[4,6]N[4,6]C[6])(Si[4]N[4,6]SiH)(SiC3)	Si(Si[4]N[4,6]Si[4]H)(CSi2H)2(CCCH)	Si[4](N[4,6]C[4,6]C[6])(Si[4]C[4,6]Si)(SiC3)(H){1|H<1>,2|C<3>}	Si[4](C[4,6]N[4,6]C[6])(Si[4]N[4,6]SiH)(SiC3){1|H<1>,2|C<3>}	Si(Si[4]N[4,6]Si[4]H)(CSi2H)2(CCCH)	130.9670	0.000	1	130.9670	0.000	1	130.9670	0.000	1	130.9670	0.000	1	120.6563	114.416	6	120.6563	114.416	6
996	598	880	0:SP3_SP2_SP3	Si[4]	Si[4]	Si	3:3:4:4:	4:3:4:	4:4:4:4:	Si[4]-3:C[4]-3:Si-4:Si-4:	Si[4]-4:Si[4]-3:Si-4:	Si[4]-4:C-4:C-4:C-4:	Si[4](Si[4]Si[4]Si)(C[4]Si[4]N)(SiC3)2	Si[4](Si[4]C[4]Si2)(Si[4]C[4]Si)(SiC3)	Si(Si[4]Si[4]C[4]Si)(CC3)2(CH3)	Si[4](Si[4]Si[4]Si)(C[4]Si[4]N)(SiC3)2{1|Si<4>}	Si[4](Si[4]C[4]Si2)(Si[4]C[4]Si)(SiC3){1|N<2>}	Si(Si[4]Si[4]C[4]Si)(CC3)2(CH3)	112.9655	12.839	2	112.9655	164.838	2	112.9655	164.838	2	112.9655	164.838	2	120.6563	114.416	6	120.6563	114.416	6
996	598	930	0:SP3_SP2_SP2	Si[4]	Si[4]	C	3:3:3:4:	3:4:4:	4:3:3:	Si[4]-3:C[4]-3:C-3:Si-4:	C[4]-3:Si[4]-4:Si-4:	Si[4]-4:C[6a]-3:C-3:	Si[4](Si[4]C[4]Si)(C[4]C[4]H)(CC[6a]C)(SiC3)	Si[4](C[4]C[6a]C[4])(Si[4]C[4]SiC)(SiC3)	C(Si[4]Si[4]C[4]Si)(C[6a]C[6a]2)(CSiH)	Si[4](Si[4]C[4]Si)(C[4]C[4]H)(CC[6a]C)(SiC3){1|C<3>}	Si[4](C[4]C[6a]C[4])(Si[4]C[4]SiC)(SiC3){1|H<1>,2|C<3>}	C(Si[4]Si[4]C[4]Si)(C[6a]C[6a]2)(CSiH)	101.6650	0.000	1	101.6650	0.000	1	101.6650	0.000	1	101.6650	0.000	1	101.6650	0.000	1	101.6650	0.000	1
996	598	949	4:SP3_SP2_SP3	Si[4]	Si[4]	Se[4]	3:2:4:4:	4:3:4:	4:3:	Si[4]-3:Se[4]-2:Si-4:Si-4:	Si[4]-4:Si[4]-3:Si-4:	Si[4]-4:Si[4]-3:	Si[4](Si[4]Si[4]Si)(Se[4]Si[4])(SiC3)2	Si[4](Si[4]Se[4]Si2)(Si[4]Se[4]Si)(SiC3)	Se[4](Si[4]Si[4]Si2)(Si[4]Si[4]Si)	Si[4](Si[4]Si[4]Si)(Se[4]Si[4])(SiC3)2{1|Si<4>}	Si[4](Si[4]Se[4]Si2)(Si[4]Se[4]Si)(SiC3)	Se[4](Si[4]Si[4]Si2)(Si[4]Si[4]Si){1|Si<4>}	90.8487	0.000	1	90.8487	0.000	1	90.8487	0.000	1	90.8487	0.000	1	90.8487	0.000	1	90.8487	0.000	1
996	598	951	0:SP3_SP-NON_SP2	Si[4]	Si[4]	H	3:3:4:1:	3:4:4:	4:	N[4,6]-3:Si[4]-3:Si-4:H-1:	C[4,6]-3:Si[4]-4:Si-4:	Si[4]-4:	Si[4](N[4,6]C[4,6]C[6])(Si[4]C[4,6]Si)(SiC3)(H)	Si[4](C[4,6]N[4,6]C[6])(Si[4]N[4,6]SiH)(SiC3)	H(Si[4]N[4,6]Si[4]Si)	Si[4](N[4,6]C[4,6]C[6])(Si[4]C[4,6]Si)(SiC3)(H){1|H<1>,2|C<3>}	Si[4](C[4,6]N[4,6]C[6])(Si[4]N[4,6]SiH)(SiC3){1|H<1>,2|C<3>}	H(Si[4]N[4,6]Si[4]Si)	118.2960	0.000	1	118.2960	0.000	1	118.2960	0.000	1	118.2960	0.000	1	118.2960	0.000	1	118.2960	0.000	1
996	598	996	4:SP3_SP2_SP3	Si[4]	Si[4]	Si[4]	4:3:4:4:	4:4:4:	4:4:4:4:	Si[4]-4:Si[4]-3:C-4:C-4:	Si[4]-4:Si[4]-4:Si-4:	Si[4]-4:Si[4]-4:Si-4:Si-4:	Si[4](Si[4]Si[4]Si2)(Si[4]Si[4]Si)(CH3)2	Si[4](Si[4]Si[4]CC)2(SiC3)	Si[4](Si[4]Si[4]CC)2(SiC3)2	Si[4](Si[4]Si[4]Si2)(Si[4]Si[4]Si)(CH3)2{2|C<4>}	Si[4](Si[4]Si[4]CC)2(SiC3){2|Si<4>}	Si[4](Si[4]Si[4]CC)2(SiC3)2{1|Si<4>}	92.0670	0.190	2	92.0670	0.036	2	92.0670	0.036	2	92.0670	0.036	2	92.0670	0.036	2	91.9071	1.120	10
996	598	996	4:SP3_SP2_SP3	Si[4x4]	Si[4,4]	Si[4x4]	4:4:3:4:	4:4:3:	4:4:3:4:	Si[4x4]-4:Si[4x4]-4:Si[4,4]-3:C-4:	Si[4x4]-4:Si[4x4]-4:Si[5]-3:	Si[4x4]-4:Si[4x4]-4:Si[4,4]-3:C-4:	Si[4x4](Si[4x4]Si[4,4]Si[4x4]C)2(Si[4,4]Si[4x4]Si[5])(CC3)	Si[4,4](Si[4x4]Si[4x4]2C)2(Si[5]C[5]2)	Si[4x4](Si[4x4]Si[4,4]Si[4x4]C)2(Si[4,4]Si[4x4]Si[5])(CC3)	Si[4x4](Si[4x4]Si[4,4]Si[4x4]C)2(Si[4,4]Si[4x4]Si[5])(CC3){1|Si<3>,3|C<4>}	Si[4,4](Si[4x4]Si[4x4]2C)2(Si[5]C[5]2){1|Si<3>,4|Si<4>,4|C<4>}	Si[4x4](Si[4x4]Si[4,4]Si[4x4]C)2(Si[4,4]Si[4x4]Si[5])(CC3){1|Si<3>,3|C<4>}	90.8450	0.279	4	90.8450	0.078	4	90.8450	0.078	4	90.8450	0.078	4	90.8450	0.078	4	91.9071	1.120	10
996	598	996	4:SP3_SP2_SP3	Si[4x4]	Si[4x4]	Si[4,4]	4:3:3:3:	4:4:3:	4:4:3:3:	Si[4,4]-4:Si[4x4]-3:Si[4x4]-3:C[6a]-3:	Si[4x4]-4:Si[4x4]-4:B[4,4]-3:	Si[4x4]-4:Si[4x4]-4:C[6a]-3:C[6a]-3:	Si[4x4](Si[4,4]Si[4x4]C[6a]2)(Si[4x4]Si[4x4]B[4,4])2(C[6a]C[6a]2)	Si[4x4](Si[4x4]Si[4,4]Si[4x4]C[6a])2(B[4,4]Si[4x4]N)	Si[4,4](Si[4x4]Si[4x4]2C[6a])2(C[6a]C[6a]2)2	Si[4x4](Si[4,4]Si[4x4]C[6a]2)(Si[4x4]Si[4x4]B[4,4])2(C[6a]C[6a]2){1|N<3>,2|C<4>,7|C<3>}	Si[4x4](Si[4x4]Si[4,4]Si[4x4]C[6a])2(B[4,4]Si[4x4]N){6|C<3>}	Si[4,4](Si[4x4]Si[4x4]2C[6a])2(C[6a]C[6a]2)2{1|B<3>,4|C<4>,8|C<3>}	92.8892	0.680	4	92.8892	0.462	4	92.8892	0.462	4	92.8892	0.462	4	92.8892	0.462	4	91.9071	1.120	10
996	610	951	0:SP3_SP-NON_SP3	Si[4]	B	H	3:3:4:1:	4:1:1:1:	4:	N[4]-3:N[4]-3:B-4:H-1:	Si[4]-4:H-1:H-1:H-1:	Si[4]-4:	Si[4](N[4]C[4]C)2(BH3)(H)	B(Si[4]N[4]2H)(H)3	H(Si[4]N[4]2B)	Si[4](N[4]C[4]C)2(BH3)(H){1|C<3>}	B(Si[4]N[4]2H)(H)3	H(Si[4]N[4]2B)	116.9900	0.000	1	116.9900	0.000	1	116.9900	0.000	1	116.9900	0.000	1	116.9900	0.000	1	116.9900	0.000	1
996	618	778	6:SP3_SP2_SPD5	Si[4,6,6]	B[6,6]	C[3x3,4,3x5,16x6]	5:3:3:3:	4:4:2:	6:6:6:6:4:	C[3x3,4,3x5,16x6]-5:B[6,6]-3:N[4]-3:N[4]-3:	Si[4,6,6]-4:Si[4,6,6]-4:C-2:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,22x6]-6:B[4x3,4,5x5,22x6]-6:Si[4,6,6]-4:	Si[4,6,6](C[3x3,4,3x5,16x6]B[4x3,4,5x5,22x6]2B[5x3,4x5,17x6]2)(B[6,6]Si[4,6,6]C)(N[4]C[4]C)2	B[6,6](Si[4,6,6]C[3x3,4,3x5,16x6]N[4]2)2(CO)	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[4,6,6]B[6,6]N[4]2)	Si[4,6,6](C[3x3,4,3x5,16x6]B[4x3,4,5x5,22x6]2B[5x3,4x5,17x6]2)(B[6,6]Si[4,6,6]C)(N[4]C[4]C)2{1|C<3>,1|C<5>,2|N<3>,4|H<1>,5|B<6>}	B[6,6](Si[4,6,6]C[3x3,4,3x5,16x6]N[4]2)2(CO){2|C<3>,4|C<4>,6|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[4,6,6]B[6,6]N[4]2){1|Si<4>,1|B<6>,1|C<2>,1|C<3>,2|C<4>,5|H<1>}	104.1535	0.581	2	104.1535	0.337	2	104.1535	0.337	2	104.1535	0.337	2	104.1535	0.337	2	104.1535	0.337	2
996	634	634	4:SP3_SP3_SP3	Si[4,4]	Ge[3,4,4]	Ge[3,4,4]	4:4:4:4:	4:4:4:4:	4:4:4:4:	Ge[3,4,4]-4:Ge[3,4,4]-4:C-4:C-4:	Ge[3,3,4]-4:Ge[3,3,4]-4:Si[4,4]-4:Si-4:	Ge[3,3,4]-4:Ge[3,3,4]-4:Si[4,4]-4:Si-4:	Si[4,4](Ge[3,4,4]Ge[3,3,4]2Si)2(CC3)2	Ge[3,4,4](Ge[3,3,4]Ge[3,3,4]Ge[3,4,4]Si)2(Si[4,4]Ge[3,4,4]CC)(SiC3)	Ge[3,4,4](Ge[3,3,4]Ge[3,3,4]Ge[3,4,4]Si)2(Si[4,4]Ge[3,4,4]CC)(SiC3)	Si[4,4](Ge[3,4,4]Ge[3,3,4]2Si)2(CC3)2{2|Si<4>}	Ge[3,4,4](Ge[3,3,4]Ge[3,3,4]Ge[3,4,4]Si)2(Si[4,4]Ge[3,4,4]CC)(SiC3){1|Si<4>}	Ge[3,4,4](Ge[3,3,4]Ge[3,3,4]Ge[3,4,4]Si)2(Si[4,4]Ge[3,4,4]CC)(SiC3){1|Si<4>}	82.4937	0.000	1	82.4937	0.000	1	82.4937	0.000	1	82.4937	0.000	1	82.4937	0.000	1	82.4937	0.000	1
996	643	643	0:SP3_SP2_SP2	Si[4,4]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	Ge[3x4]-3:Ge[3x4]-3:C[6a]-3:C[6a]-3:	Si[4,4]-4:C[6a]-3:C[6a]-3:	Si[4,4]-4:C[6a]-3:C[6a]-3:	Si[4,4](Ge[3x4]Si[4,4]2)2(C[6a]C[6a]2)2	C[6a](Si[4,4]Ge[3x4]2C[6a])(C[6a]C[6a]C)2	C[6a](Si[4,4]Ge[3x4]2C[6a])(C[6a]C[6a]C)2	Si[4,4](Ge[3x4]Si[4,4]2)2(C[6a]C[6a]2)2{4|C<4>,8|C<3>}	C[6a](Si[4,4]Ge[3x4]2C[6a])(C[6a]C[6a]C)2{2|Si<4>,2|H<1>,3|C<3>}	C[6a](Si[4,4]Ge[3x4]2C[6a])(C[6a]C[6a]C)2{2|Si<4>,2|H<1>,3|C<3>}	111.3010	0.499	3	111.3010	0.249	3	111.3010	0.249	3	111.2178	0.150	6	110.4470	2.188	8	108.6426	15.560	13
996	643	643	0:SP3_SP2_SP2	Si[4,4]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	Si[3x4]-3:Si[3x4]-3:C[6a]-3:C[6a]-3:	Si[4,4]-4:C[6a]-3:C[6a]-3:	Si[4,4]-4:C[6a]-3:C[6a]-3:	Si[4,4](Si[3x4]Si[4,4]2)2(C[6a]C[6a]2)2	C[6a](Si[4,4]Si[3x4]2C[6a])(C[6a]C[6a]C)2	C[6a](Si[4,4]Si[3x4]2C[6a])(C[6a]C[6a]C)2	Si[4,4](Si[3x4]Si[4,4]2)2(C[6a]C[6a]2)2{4|C<4>,8|C<3>}	C[6a](Si[4,4]Si[3x4]2C[6a])(C[6a]C[6a]C)2{2|Si<4>,2|H<1>,3|C<3>}	C[6a](Si[4,4]Si[3x4]2C[6a])(C[6a]C[6a]C)2{2|Si<4>,2|H<1>,3|C<3>}	111.1347	0.323	3	111.1347	0.105	3	111.1347	0.105	3	111.2178	0.150	6	110.4470	2.188	8	108.6426	15.560	13
996	643	643	0:SP3_SP2_SP2	Si[4,4]	C[6a]	C[6a]	4:4:3:3:	4:3:3:	4:3:3:	Ge[3x4]-4:Ge[3x4]-4:C[6a]-3:C[6a]-3:	Si[4,4]-4:C[6a]-3:C[6a]-3:	Si[4,4]-4:C[6a]-3:C[6a]-3:	Si[4,4](Ge[3x4]Si[4,4]2S)2(C[6a]C[6a]2)2	C[6a](Si[4,4]Ge[3x4]2C[6a])(C[6a]C[6a]C)2	C[6a](Si[4,4]Ge[3x4]2C[6a])(C[6a]C[6a]C)2	Si[4,4](Ge[3x4]Si[4,4]2S)2(C[6a]C[6a]2)2{4|C<4>,8|C<3>}	C[6a](Si[4,4]Ge[3x4]2C[6a])(C[6a]C[6a]C)2{2|Si<4>,2|H<1>,2|S<2>,3|C<3>}	C[6a](Si[4,4]Ge[3x4]2C[6a])(C[6a]C[6a]C)2{2|Si<4>,2|H<1>,2|S<2>,3|C<3>}	108.5270	0.000	1	108.5270	0.000	1	108.5270	0.000	1	108.1345	0.308	2	110.4470	2.188	8	108.6426	15.560	13
996	643	643	0:SP3_SP2_SP2	Si[4,4]	C[6a]	C[6a]	4:4:3:3:	4:3:3:	4:3:3:	Si[4x4]-4:Si[4x4]-4:C[6a]-3:C[6a]-3:	Si[4,4]-4:C[6a]-3:C[6a]-3:	Si[4,4]-4:C[6a]-3:C[6a]-3:	Si[4,4](Si[4x4]Si[4x4]2C[6a])2(C[6a]C[6a]2)2	C[6a](Si[4,4]Si[4x4]2C[6a])(C[6a]C[6a]C)2	C[6a](Si[4,4]Si[4x4]2C[6a])(C[6a]C[6a]C)2	Si[4,4](Si[4x4]Si[4x4]2C[6a])2(C[6a]C[6a]2)2{1|B<3>,4|C<4>,8|C<3>}	C[6a](Si[4,4]Si[4x4]2C[6a])(C[6a]C[6a]C)2{2|Si<3>,2|H<1>,5|C<3>}	C[6a](Si[4,4]Si[4x4]2C[6a])(C[6a]C[6a]C)2{2|Si<3>,2|H<1>,5|C<3>}	107.7420	0.000	1	107.7420	0.000	1	107.7420	0.000	1	108.1345	0.308	2	110.4470	2.188	8	108.6426	15.560	13
996	643	643	0:SP3_SP2_SP2	Si[4]	C[6a]	C[6a]	3:3:3:2:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[4]-3:O[4]-2:	Si[4]-4:C[6a]-3:C[6a]-3:	Si[4]-4:C[6a]-3:C[6a]-3:	Si[4](C[6a]C[6a]2)2(C[4]C[4]C)(O[4]C[4])	C[6a](Si[4]C[6a]C[4]O[4])(C[6a]C[6a]C)2	C[6a](Si[4]C[6a]C[4]O[4])(C[6a]C[6a]C)2	Si[4](C[6a]C[6a]2)2(C[4]C[4]C)(O[4]C[4]){4|C<4>,6|C<3>}	C[6a](Si[4]C[6a]C[4]O[4])(C[6a]C[6a]C)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](Si[4]C[6a]C[4]O[4])(C[6a]C[6a]C)2{1|C<4>,2|H<1>,4|C<3>}	107.7640	0.000	1	107.7640	0.000	1	107.7640	0.000	1	107.7640	0.000	1	105.7556	25.921	5	108.6426	15.560	13
996	643	643	0:SP3_SP2_SP2	Si[4]	C[6a]	C[6a]	3:3:3:3:	3:4:3:	4:3:3:	C[4,6a]-3:C[4,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:Si[4]-4:C[6a]-3:	Si[4]-4:C[6a]-3:C[6a]-3:	Si[4](C[4,6a]C[4,6a,6a]C[6a])2(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(Si[4]C[4,6a]2C[6a])(C[6a]C[6a]H)	C[6a](Si[4]C[4,6a]2C[6a])(C[6a]C[6a]H)2	Si[4](C[4,6a]C[4,6a,6a]C[6a])2(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2){5|H<1>,8|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(Si[4]C[4,6a]2C[6a])(C[6a]C[6a]H){1|Si<4>,1|H<1>,8|C<3>}	C[6a](Si[4]C[4,6a]2C[6a])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	109.3580	0.000	1	109.3580	0.000	1	109.3580	0.000	1	109.3580	0.000	1	105.7556	25.921	5	108.6426	15.560	13
996	643	643	0:SP3_SP2_SP2	Si[4]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	N[4]-3:N[4]-3:C[6a]-3:C[6a]-3:	Si[4]-4:C[6a]-3:C[6a]-3:	Si[4]-4:C[6a]-3:C[6a]-3:	Si[4](N[4]C[6a]Ge[4])2(C[6a]C[6a]2)2	C[6a](Si[4]C[6a]N[4]2)(C[6a]C[6a]H)2	C[6a](Si[4]C[6a]N[4]2)(C[6a]C[6a]H)2	Si[4](N[4]C[6a]Ge[4])2(C[6a]C[6a]2)2{4|H<1>,8|C<3>}	C[6a](Si[4]C[6a]N[4]2)(C[6a]C[6a]H)2{1|Ge<2>,2|H<1>,5|C<3>}	C[6a](Si[4]C[6a]N[4]2)(C[6a]C[6a]H)2{1|Ge<2>,2|H<1>,5|C<3>}	105.4960	0.000	1	105.4960	0.000	1	105.4960	0.000	1	105.4960	0.000	1	105.7556	25.921	5	108.6426	15.560	13
996	643	643	0:SP3_SP2_SP2	Si[4]	C[6a]	C[6a]	3:3:4:4:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[4]-4:C[4]-4:	Si[4]-4:C[6a]-3:C[6a]-3:	Si[4]-4:C[6a]-3:C[6a]-3:	Si[4](C[6a]C[6a]2)2(C[4]C[4]HH)2	C[6a](Si[4]C[6a]C[4]2)(C[6a]C[6a]H)2	C[6a](Si[4]C[6a]C[4]2)(C[6a]C[6a]H)2	Si[4](C[6a]C[6a]2)2(C[4]C[4]HH)2{4|C<3>,6|H<1>}	C[6a](Si[4]C[6a]C[4]2)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,6|H<1>}	C[6a](Si[4]C[6a]C[4]2)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,6|H<1>}	109.0920	0.000	1	109.0920	0.000	1	109.0920	0.000	1	109.0920	0.000	1	105.7556	25.921	5	108.6426	15.560	13
996	643	643	0:SP3_SP2_SP2	Si[4]	C[6a]	C[6a]	4:4:3:3:	4:3:3:	4:3:3:	Si[4]-4:Si[4]-4:C[6a]-3:C[6a]-3:	Si[4]-4:C[6a]-3:C[6a]-3:	Si[4]-4:C[6a]-3:C[6a]-3:	Si[4](Si[4]Si[4]CC)2(C[6a]C[6a]2)2	C[6a](Si[4]C[6a]Si[4]2)(C[6a]C[6a]H)2	C[6a](Si[4]C[6a]Si[4]2)(C[6a]C[6a]H)2	Si[4](Si[4]Si[4]CC)2(C[6a]C[6a]2)2{2|C<4>,4|C<3>,4|H<1>}	C[6a](Si[4]C[6a]Si[4]2)(C[6a]C[6a]H)2{1|Si<4>,2|H<1>,3|C<3>,4|C<4>}	C[6a](Si[4]C[6a]Si[4]2)(C[6a]C[6a]H)2{1|Si<4>,2|H<1>,3|C<3>,4|C<4>}	97.0680	0.000	1	97.0680	0.000	1	97.0680	0.000	1	97.0680	0.000	1	105.7556	25.921	5	108.6426	15.560	13
996	643	670	0:SP3_SP2_SP2	Si[4]	C[6a]	Ge	3:3:3:3:	3:4:3:	4:4:1:	C[6a]-3:Ge-3:N[4]-3:N[4]-3:	C[6,6a]-3:Si[4]-4:C[6a]-3:	Si[4]-4:Si[4]-4:Cl-1:	Si[4](C[6a]C[6,6a]C[6a])(GeSi[4]Cl)(N[4]C[4]C)2	C[6a](C[6,6a]C[6,6a]O[6])(Si[4]N[4]2Ge)(C[6a]C[6a]H)	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>}	C[6a](C[6,6a]C[6,6a]O[6])(Si[4]N[4]2Ge)(C[6a]C[6a]H){1|H<1>,3|C<3>,3|C<4>}	Ge(Si[4]C[6a]N[4]2)2(Cl)	137.4800	4.681	2	137.4800	21.912	2	137.4800	21.912	2	137.4800	21.912	2	128.8272	123.187	4	128.8272	123.187	4
996	643	670	0:SP3_SP2_SP2	Si[4]	C[6a]	Ge	3:3:3:3:	3:4:3:	4:4:3:	C[6a]-3:Ge-3:N[4]-3:N[4]-3:	C[6,6a]-3:Si[4]-4:C[6a]-3:	Si[4]-4:Si[4]-4:B[6,6]-3:	Si[4](C[6a]C[6,6a]C[6a])(GeB[6,6]Si[4])(N[4]C[4]C)2	C[6a](C[6,6a]C[6,6a]O[6])(Si[4]N[4]2Ge)(C[6a]C[6a]H)	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>}	C[6a](C[6,6a]C[6,6a]O[6])(Si[4]N[4]2Ge)(C[6a]C[6a]H){1|H<1>,3|C<3>,3|C<4>}	Ge(Si[4]C[6a]N[4]2)2(B[6,6]C[6,6]2)	125.0820	0.000	1	120.1745	48.167	2	120.1745	48.167	2	120.1745	48.167	2	128.8272	123.187	4	128.8272	123.187	4
996	643	670	0:SP3_SP2_SP2	Si[4]	C[6a]	Ge	3:3:3:3:	3:4:3:	4:4:3:	C[6a]-3:Ge-3:N[4]-3:N[4]-3:	C[6,6a]-3:Si[4]-4:C[6a]-3:	Si[4]-4:Si[4]-4:B[6,6]-3:	Si[4](C[6a]C[6,6a]C[6a])(GeB[6,6]Si[4])(N[4]C[4]C)2	C[6a](C[6,6a]C[6,6a]O[6])(Si[4]N[4]2Ge)(C[6a]C[6a]H)	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|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(Si[4]N[4]2Ge)(C[6a]C[6a]H){1|H<1>,2|C<3>,4|C<4>}	Ge(Si[4]C[6a]N[4]2)2(B[6,6]C[6,6]2)	115.2670	0.000	1	120.1745	48.167	2	120.1745	48.167	2	120.1745	48.167	2	128.8272	123.187	4	128.8272	123.187	4
996	643	769	0:SP3_SP2_SP2	Si[4]	C[6a]	C[4,6a]	3:3:3:3:	3:4:3:	3:4:3:	C[4,6a]-3:C[4,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:Si[4]-4:C[6a]-3:	C[4,6a,6a]-3:Si[4]-4:C[6a]-3:	Si[4](C[4,6a]C[4,6a,6a]C[6a])2(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(Si[4]C[4,6a]2C[6a])(C[6a]C[6a]H)	C[4,6a](C[4,6a,6a]C[6a,6a]C[4,6a])(Si[4]C[4,6a]C[6a]2)(C[6a]C[6a]H)	Si[4](C[4,6a]C[4,6a,6a]C[6a])2(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2){5|H<1>,8|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(Si[4]C[4,6a]2C[6a])(C[6a]C[6a]H){1|Si<4>,1|H<1>,8|C<3>}	C[4,6a](C[4,6a,6a]C[6a,6a]C[4,6a])(Si[4]C[4,6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,7|C<3>}	119.7115	7.973	2	119.7115	63.563	2	119.7115	63.563	2	119.7115	63.563	2	118.4462	33.793	5	118.4462	33.793	5
996	643	769	0:SP3_SP2_SP2	Si[4]	C[6a]	C[4,6a]	3:3:3:3:	4:3:3:	3:4:3:	C[4,6a]-3:C[4,6a]-3:C[6a]-3:C[6a]-3:	Si[4]-4:C[6a]-3:C[6a]-3:	C[4,6a,6a]-3:Si[4]-4:C[6a]-3:	Si[4](C[4,6a]C[4,6a,6a]C[6a])2(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](Si[4]C[4,6a]2C[6a])(C[6a]C[6a]H)2	C[4,6a](C[4,6a,6a]C[6a,6a]C[4,6a])(Si[4]C[4,6a]C[6a]2)(C[6a]C[6a]H)	Si[4](C[4,6a]C[4,6a,6a]C[6a])2(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2){5|H<1>,8|C<3>}	C[6a](Si[4]C[4,6a]2C[6a])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	C[4,6a](C[4,6a,6a]C[6a,6a]C[4,6a])(Si[4]C[4,6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,7|C<3>}	114.3400	1.550	2	114.3400	2.402	2	114.3400	2.402	2	114.3400	2.402	2	118.4462	33.793	5	118.4462	33.793	5
996	643	769	0:SP3_SP2_SP2	Si[4]	C[6a]	C[4,6a]	3:4:3:3:	4:3:3:	3:4:3:	C[4,6a]-3:C[4]-4:C[6a]-3:C-3:	Si[4]-4:C[6a]-3:C[6a]-3:	C[4,6a]-3:Si[4]-4:C[6a]-3:	Si[4](C[4,6a]C[4,6a]C[6a])(C[4]C[4,6a]CC)(C[6a]C[6a]2)(CCH)	C[6a](Si[4]C[4,6a]C[4]C)(C[6a]C[6a]C)2	C[4,6a](C[4,6a]C[6a]C[4])(Si[4]C[6a]C[4]C)(C[6a]C[6a]C)	Si[4](C[4,6a]C[4,6a]C[6a])(C[4]C[4,6a]CC)(C[6a]C[6a]2)(CCH){3|C<4>,4|C<3>}	C[6a](Si[4]C[4,6a]C[4]C)(C[6a]C[6a]C)2{2|C<4>,2|H<1>,3|C<3>}	C[4,6a](C[4,6a]C[6a]C[4])(Si[4]C[6a]C[4]C)(C[6a]C[6a]C){2|C<4>,2|H<1>,3|C<3>}	124.1280	0.000	1	124.1280	0.000	1	124.1280	0.000	1	124.1280	0.000	1	118.4462	33.793	5	118.4462	33.793	5
996	643	846	0:SP3_SP2_SP2	Si[4]	C[6a]	C[4]	3:3:3:2:	4:3:3:	4:4:3:	C[6a]-3:C[6a]-3:C[4]-3:O[4]-2:	Si[4]-4:C[6a]-3:C[6a]-3:	Si[4]-4:C[4]-4:C-3:	Si[4](C[6a]C[6a]2)2(C[4]C[4]C)(O[4]C[4])	C[6a](Si[4]C[6a]C[4]O[4])(C[6a]C[6a]C)2	C[4](Si[4]C[6a]2O[4])(C[4]C[6a]2O[4])(CC[6a]C)	Si[4](C[6a]C[6a]2)2(C[4]C[4]C)(O[4]C[4]){4|C<4>,6|C<3>}	C[6a](Si[4]C[6a]C[4]O[4])(C[6a]C[6a]C)2{1|C<4>,2|H<1>,4|C<3>}	C[4](Si[4]C[6a]2O[4])(C[4]C[6a]2O[4])(CC[6a]C){8|C<3>}	122.7780	4.548	2	122.7780	20.685	2	122.7780	20.685	2	122.7780	20.685	2	122.7780	20.685	2	122.7780	20.685	2
996	643	856	0:SP3_SP2_SP2	Si[4,6]	C[6a]	N[6]	4:3:2:3:	4:3:3:	4:3:4:	Si[4,3x6]-4:C[6a]-3:O[4]-2:N[6]-3:	Si[4,6]-4:C[6,6a]-3:C[6a]-3:	Si[4,6]-4:C[6]-3:C-4:	Si[4,6](Si[4,3x6]Si[4,6,6]Si[4,4]C[4x6])(C[6a]C[6,6a]C[6a])(O[4]Si[4,4])(N[6]C[6]C)	C[6a](Si[4,6]Si[4,3x6]N[6]O[4])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)	N[6](Si[4,6]Si[4,3x6]C[6a]O[4])(C[6]C[3x6]N)(CC3)	Si[4,6](Si[4,3x6]Si[4,6,6]Si[4,4]C[4x6])(C[6a]C[6,6a]C[6a])(O[4]Si[4,4])(N[6]C[6]C){1|Si<4>,1|Si<5>,1|C<4>,1|N<2>,1|O<2>,2|H<1>,2|N<3>,5|C<3>}	C[6a](Si[4,6]Si[4,3x6]N[6]O[4])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H){1|Si<4>,1|Si<5>,1|H<1>,3|C<3>,3|C<4>}	N[6](Si[4,6]Si[4,3x6]C[6a]O[4])(C[6]C[3x6]N)(CC3){1|Si<4>,1|Si<5>,1|C<4>,3|C<3>}	112.3310	0.000	1	112.3310	0.000	1	112.3310	0.000	1	112.3310	0.000	1	112.3310	0.000	1	112.3310	0.000	1
996	643	857	0:SP3_SP2_SP2	Si[4,4]	C[6a]	Ge[3x4]	3:3:3:3:	4:3:3:	4:4:4:	Ge[3x4]-3:Ge[3x4]-3:C[6a]-3:C[6a]-3:	Si[4,4]-4:C[6a]-3:C[6a]-3:	Si[4,4]-4:Si[4,4]-4:Si[4,4]-4:	Si[4,4](Ge[3x4]Si[4,4]2)2(C[6a]C[6a]2)2	C[6a](Si[4,4]Ge[3x4]2C[6a])(C[6a]C[6a]C)2	Ge[3x4](Si[4,4]Ge[3x4]C[6a]2)3	Si[4,4](Ge[3x4]Si[4,4]2)2(C[6a]C[6a]2)2{4|C<4>,8|C<3>}	C[6a](Si[4,4]Ge[3x4]2C[6a])(C[6a]C[6a]C)2{2|Si<4>,2|H<1>,3|C<3>}	Ge[3x4](Si[4,4]Ge[3x4]C[6a]2)3{12|C<3>}	117.5853	1.858	12	117.5853	3.453	12	117.5853	3.453	12	117.5853	3.453	12	117.5853	3.453	12	117.5853	3.453	12
996	643	907	0:SP3_SP2_SP3	Si[4,4]	C[6a]	Ge[3x4]	4:4:3:3:	4:3:3:	4:4:4:2:	Ge[3x4]-4:Ge[3x4]-4:C[6a]-3:C[6a]-3:	Si[4,4]-4:C[6a]-3:C[6a]-3:	Si[4,4]-4:Si[4,4]-4:Si[4,4]-4:S-2:	Si[4,4](Ge[3x4]Si[4,4]2S)2(C[6a]C[6a]2)2	C[6a](Si[4,4]Ge[3x4]2C[6a])(C[6a]C[6a]C)2	Ge[3x4](Si[4,4]Ge[3x4]C[6a]2)3(SC[5])	Si[4,4](Ge[3x4]Si[4,4]2S)2(C[6a]C[6a]2)2{4|C<4>,8|C<3>}	C[6a](Si[4,4]Ge[3x4]2C[6a])(C[6a]C[6a]C)2{2|Si<4>,2|H<1>,2|S<2>,3|C<3>}	Ge[3x4](Si[4,4]Ge[3x4]C[6a]2)3(SC[5]){12|C<3>,1|S<2>}	118.0100	2.029	6	118.0100	4.118	6	118.0100	4.118	6	118.0100	4.118	6	118.0100	4.118	6	118.0100	4.118	6
996	643	930	0:SP3_SP2_SP2	Si[4]	C[6a]	C	3:4:3:3:	4:3:3:	4:3:1:	C[4,6a]-3:C[4]-4:C[6a]-3:C-3:	Si[4]-4:C[6a]-3:C[6a]-3:	Si[4]-4:C-3:H-1:	Si[4](C[4,6a]C[4,6a]C[6a])(C[4]C[4,6a]CC)(C[6a]C[6a]2)(CCH)	C[6a](Si[4]C[4,6a]C[4]C)(C[6a]C[6a]C)2	C(Si[4]C[4,6a]C[6a]C[4])(CC[6a]C)(H)	Si[4](C[4,6a]C[4,6a]C[6a])(C[4]C[4,6a]CC)(C[6a]C[6a]2)(CCH){3|C<4>,4|C<3>}	C[6a](Si[4]C[4,6a]C[4]C)(C[6a]C[6a]C)2{2|C<4>,2|H<1>,3|C<3>}	C(Si[4]C[4,6a]C[6a]C[4])(CC[6a]C)(H)	111.2720	0.000	1	111.2720	0.000	1	111.2720	0.000	1	111.2720	0.000	1	111.2720	0.000	1	111.2720	0.000	1
996	643	951	0:SP3_SP-NON_SP2	Si[4,4]	C[6a]	H	4:4:3:1:	4:3:3:	4:	Si[4x4]-4:Si[4x4]-4:C[6a]-3:H-1:	Si[4,4]-4:C[6a]-3:C[6a]-3:	Si[4,4]-4:	Si[4,4](Si[4x4]Si[4x4]2C[6a])2(C[6a]C[6a]2)(H)	C[6a](Si[4,4]Si[4x4]2H)(C[6a]C[6a]C)2	H(Si[4,4]Si[4x4]2C[6a])	Si[4,4](Si[4x4]Si[4x4]2C[6a])2(C[6a]C[6a]2)(H){1|Si<4>,2|C<4>,8|C<3>}	C[6a](Si[4,4]Si[4x4]2H)(C[6a]C[6a]C)2{2|Si<4>,2|H<1>,3|C<3>}	H(Si[4,4]Si[4x4]2C[6a])	104.1435	0.934	2	104.1435	0.873	2	104.1435	0.873	2	104.1435	0.873	2	104.1435	0.873	2	104.1435	0.873	2
996	643	956	0:SP3_SP2_SP2	Si[4]	C[6a]	N	4:3:2:3:	4:3:3:	4:3:4:	Si[4,6,6]-4:C[6a]-3:O[4]-2:N-3:	Si[4]-4:C[6,6a]-3:C[6a]-3:	Si[4]-4:C-3:C-4:	Si[4](Si[4,6,6]Si[4,3x6]Si[4,4]C[3x6])(C[6a]C[6,6a]C[6a])(O[4]Si[4,4])(NCC)	C[6a](Si[4]Si[4,6,6]O[4]N)(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)	N(Si[4]Si[4,6,6]C[6a]O[4])(CC[6a]N)(CC3)	Si[4](Si[4,6,6]Si[4,3x6]Si[4,4]C[3x6])(C[6a]C[6,6a]C[6a])(O[4]Si[4,4])(NCC){1|Si<4>,1|Si<5>,1|C<4>,1|O<2>,2|H<1>,2|N<3>,5|C<3>}	C[6a](Si[4]Si[4,6,6]O[4]N)(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H){1|Si<4>,1|Si<5>,1|H<1>,2|C<3>,2|C<4>}	N(Si[4]Si[4,6,6]C[6a]O[4])(CC[6a]N)(CC3)	104.0760	0.000	1	104.0760	0.000	1	104.0760	0.000	1	104.0760	0.000	1	104.0760	0.000	1	104.0760	0.000	1
996	643	979	0:SP3_SP2_SP2	Si[4]	C[6a]	Si	3:3:3:3:	3:4:3:	4:4:1:	C[6a]-3:N[4]-3:N[4]-3:Si-3:	C[6,6a]-3:Si[4]-4:C[6a]-3:	Si[4]-4:Si[4]-4:Cl-1:	Si[4](C[6a]C[6,6a]C[6a])(N[4]C[4]C)2(SiSi[4]Cl)	C[6a](C[6,6a]C[6,6a]O[6])(Si[4]N[4]2Si)(C[6a]C[6a]H)	Si(Si[4]C[6a]N[4]2)2(Cl)	Si[4](C[6a]C[6,6a]C[6a])(N[4]C[4]C)2(SiSi[4]Cl){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(Si[4]N[4]2Si)(C[6a]C[6a]H){1|H<1>,3|C<3>,3|C<4>}	Si(Si[4]C[6a]N[4]2)2(Cl)	117.9830	1.102	2	117.9830	1.214	2	117.9830	1.214	2	121.0312	16.572	4	122.0202	13.814	6	122.0202	13.814	6
996	643	979	0:SP3_SP2_SP2	Si[4]	C[6a]	Si	3:3:3:3:	3:4:3:	4:4:1:	C[6a]-3:N[4]-3:N[4]-3:Si-3:	C[6,6a]-3:Si[4]-4:C[6a]-3:	Si[4]-4:Si[4]-4:H-1:	Si[4](C[6a]C[6,6a]C[6a])(N[4]C[4]C)2(SiSi[4]H)	C[6a](C[6,6a]C[6,6a]O[6])(Si[4]N[4]2Si)(C[6a]C[6a]H)	Si(Si[4]C[6a]N[4]2)2(H)	Si[4](C[6a]C[6,6a]C[6a])(N[4]C[4]C)2(SiSi[4]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(Si[4]N[4]2Si)(C[6a]C[6a]H){1|H<1>,3|C<3>,3|C<4>}	Si(Si[4]C[6a]N[4]2)2(H)	124.0795	3.367	2	124.0795	11.334	2	124.0795	11.334	2	121.0312	16.572	4	122.0202	13.814	6	122.0202	13.814	6
996	643	979	0:SP3_SP2_SP2	Si[4]	C[6a]	Si	3:3:3:3:	3:4:3:	4:4:4:	C[6a]-3:N[4]-3:N[4]-3:Si-3:	C[6,6a]-3:Si[4]-4:C[6a]-3:	Si[4]-4:Si[4]-4:C-4:	Si[4](C[6a]C[6,6a]C[6a])(N[4]C[4]C)2(SiSi[4]C)	C[6a](C[6,6a]C[6,6a]O[6])(Si[4]N[4]2Si)(C[6a]C[6a]H)	Si(Si[4]C[6a]N[4]2)2(CCHH)	Si[4](C[6a]C[6,6a]C[6a])(N[4]C[4]C)2(SiSi[4]C){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(Si[4]N[4]2Si)(C[6a]C[6a]H){1|H<1>,3|C<3>,3|C<4>}	Si(Si[4]C[6a]N[4]2)2(CCHH)	123.9980	2.761	2	123.9980	7.621	2	123.9980	7.621	2	123.9980	7.621	2	122.0202	13.814	6	122.0202	13.814	6
996	643	996	0:SP3_SP2_SP3	Si[3x4]	C[6a]	Si[4,4]	4:4:4:3:	4:3:3:	4:3:4:4:	Si[4,4]-4:Si[4,4]-4:Si[4,4]-4:C[6a]-3:	Si[3x4]-4:C[6a]-3:C[6a]-3:	Si[3x4]-4:P[3x4]-3:C-4:C-4:	Si[3x4](Si[4,4]P[3x4]CC)3(C[6a]C[6a]2)	C[6a](Si[3x4]Si[4,4]3)(C[6a]C[6a]H)2	Si[4,4](Si[3x4]Si[4,4]2C[6a])(P[3x4]Si[4,4]2)(CCCH)2	Si[3x4](Si[4,4]P[3x4]CC)3(C[6a]C[6a]2){2|C<3>,2|H<1>}	C[6a](Si[3x4]Si[4,4]3)(C[6a]C[6a]H)2{1|C<3>,1|P<3>,2|H<1>,6|C<4>}	Si[4,4](Si[3x4]Si[4,4]2C[6a])(P[3x4]Si[4,4]2)(CCCH)2{2|C<3>,4|C<4>}	130.7003	2.214	3	130.7003	4.901	3	130.7003	4.901	3	130.7003	4.901	3	130.7003	4.901	3	125.5723	47.166	29
996	643	996	0:SP3_SP2_SP3	Si[4,4]	C[6a]	Si[4x4]	4:4:3:1:	4:3:3:	4:4:4:3:	Si[4x4]-4:Si[4x4]-4:C[6a]-3:H-1:	Si[4,4]-4:C[6a]-3:C[6a]-3:	Si[4x4]-4:Si[4x4]-4:Si[4,4]-4:C[6a]-3:	Si[4,4](Si[4x4]Si[4x4]2C[6a])2(C[6a]C[6a]2)(H)	C[6a](Si[4,4]Si[4x4]2H)(C[6a]C[6a]C)2	Si[4x4](Si[4x4]Si[4,4]Si[4x4]C[6a])2(Si[4,4]Si[4x4]C[6a]H)(C[6a]C[6a]2)	Si[4,4](Si[4x4]Si[4x4]2C[6a])2(C[6a]C[6a]2)(H){1|Si<4>,2|C<4>,8|C<3>}	C[6a](Si[4,4]Si[4x4]2H)(C[6a]C[6a]C)2{2|Si<4>,2|H<1>,3|C<3>}	Si[4x4](Si[4x4]Si[4,4]Si[4x4]C[6a])2(Si[4,4]Si[4x4]C[6a]H)(C[6a]C[6a]2){10|C<3>,1|H<1>,2|C<4>}	126.7657	4.219	4	126.7657	17.799	4	126.7657	17.799	4	126.7657	17.799	4	122.4775	94.966	8	125.5723	47.166	29
996	643	996	0:SP3_SP2_SP3	Si[4,4]	C[6a]	Si[4x4]	4:4:3:3:	4:3:3:	4:3:3:3:	Si[4x4]-4:Si[4x4]-4:C[6a]-3:C[6a]-3:	Si[4,4]-4:C[6a]-3:C[6a]-3:	Si[4,4]-4:Si[4x4]-3:Si[4x4]-3:C[6a]-3:	Si[4,4](Si[4x4]Si[4x4]2C[6a])2(C[6a]C[6a]2)2	C[6a](Si[4,4]Si[4x4]2C[6a])(C[6a]C[6a]C)2	Si[4x4](Si[4,4]Si[4x4]C[6a]2)(Si[4x4]Si[4x4]B[4,4])2(C[6a]C[6a]2)	Si[4,4](Si[4x4]Si[4x4]2C[6a])2(C[6a]C[6a]2)2{1|B<3>,4|C<4>,8|C<3>}	C[6a](Si[4,4]Si[4x4]2C[6a])(C[6a]C[6a]C)2{2|Si<3>,2|H<1>,5|C<3>}	Si[4x4](Si[4,4]Si[4x4]C[6a]2)(Si[4x4]Si[4x4]B[4,4])2(C[6a]C[6a]2){1|N<3>,2|C<4>,7|C<3>}	118.1893	12.440	4	118.1893	154.752	4	118.1893	154.752	4	118.1893	154.752	4	122.4775	94.966	8	125.5723	47.166	29
996	643	996	0:SP3_SP2_SP3	Si[4,6]	C[6a]	Si[4,3x6]	4:3:2:3:	4:3:3:	4:5:4:4:	Si[4,3x6]-4:C[6a]-3:O[4]-2:N[6]-3:	Si[4,6]-4:C[6,6a]-3:C[6a]-3:	Si[4,6,6]-4:Si[4,4]-5:Si[4,6]-4:C[4x6]-4:	Si[4,6](Si[4,3x6]Si[4,6,6]Si[4,4]C[4x6])(C[6a]C[6,6a]C[6a])(O[4]Si[4,4])(N[6]C[6]C)	C[6a](Si[4,6]Si[4,3x6]N[6]O[4])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)	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[4,6](Si[4,3x6]Si[4,6,6]Si[4,4]C[4x6])(C[6a]C[6,6a]C[6a])(O[4]Si[4,4])(N[6]C[6]C){1|Si<4>,1|Si<5>,1|C<4>,1|N<2>,1|O<2>,2|H<1>,2|N<3>,5|C<3>}	C[6a](Si[4,6]Si[4,3x6]N[6]O[4])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H){1|Si<4>,1|Si<5>,1|H<1>,3|C<3>,3|C<4>}	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>}	123.9280	0.000	1	123.9280	0.000	1	123.9280	0.000	1	123.9280	0.000	1	123.9280	0.000	1	125.5723	47.166	29
996	643	996	0:SP3_SP2_SP3	Si[4]	C[6a]	Si[4,6,6]	4:3:2:3:	4:3:3:	4:5:4:4:	Si[4,6,6]-4:C[6a]-3:O[4]-2:N-3:	Si[4]-4:C[6,6a]-3:C[6a]-3:	Si[4,3x6]-4:Si[4,4]-5:Si[4]-4:C[3x6]-4:	Si[4](Si[4,6,6]Si[4,3x6]Si[4,4]C[3x6])(C[6a]C[6,6a]C[6a])(O[4]Si[4,4])(NCC)	C[6a](Si[4]Si[4,6,6]O[4]N)(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)	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](Si[4,6,6]Si[4,3x6]Si[4,4]C[3x6])(C[6a]C[6,6a]C[6a])(O[4]Si[4,4])(NCC){1|Si<4>,1|Si<5>,1|C<4>,1|O<2>,2|H<1>,2|N<3>,5|C<3>}	C[6a](Si[4]Si[4,6,6]O[4]N)(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H){1|Si<4>,1|Si<5>,1|H<1>,2|C<3>,2|C<4>}	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>}	115.5110	0.000	1	115.5110	0.000	1	115.5110	0.000	1	115.5110	0.000	1	115.5110	0.000	1	125.5723	47.166	29
996	643	996	0:SP3_SP2_SP3	Si[4]	C[6a]	Si[4]	4:4:3:3:	4:3:3:	4:4:4:4:	Si[4]-4:Si[4]-4:C[6a]-3:C[6a]-3:	Si[4]-4:C[6a]-3:C[6a]-3:	Si[4]-4:Si[4]-4:C-4:C-4:	Si[4](Si[4]Si[4]CC)2(C[6a]C[6a]2)2	C[6a](Si[4]C[6a]Si[4]2)(C[6a]C[6a]H)2	Si[4](Si[4]C[6a]2Si[4])(Si[4]Si[4]CC)(CC3)2	Si[4](Si[4]Si[4]CC)2(C[6a]C[6a]2)2{2|C<4>,4|C<3>,4|H<1>}	C[6a](Si[4]C[6a]Si[4]2)(C[6a]C[6a]H)2{1|Si<4>,2|H<1>,3|C<3>,4|C<4>}	Si[4](Si[4]C[6a]2Si[4])(Si[4]Si[4]CC)(CC3)2{2|C<4>,4|C<3>}	118.1070	9.782	2	118.1070	95.690	2	118.1070	95.690	2	118.1070	95.690	2	118.1070	95.690	2	125.5723	47.166	29
996	643	996	0:SP3_SP2_SP3	Si[4x4]	C[6a]	Si[4,4]	4:3:3:3:	4:3:3:	4:4:3:3:	Si[4,4]-4:Si[4x4]-3:Si[4x4]-3:C[6a]-3:	Si[4x4]-4:C[6a]-3:C[6a]-3:	Si[4x4]-4:Si[4x4]-4:C[6a]-3:C[6a]-3:	Si[4x4](Si[4,4]Si[4x4]C[6a]2)(Si[4x4]Si[4x4]B[4,4])2(C[6a]C[6a]2)	C[6a](Si[4x4]Si[4,4]Si[4x4]2)(C[6a]C[6a]C)2	Si[4,4](Si[4x4]Si[4x4]2C[6a])2(C[6a]C[6a]2)2	Si[4x4](Si[4,4]Si[4x4]C[6a]2)(Si[4x4]Si[4x4]B[4,4])2(C[6a]C[6a]2){1|N<3>,2|C<4>,7|C<3>}	C[6a](Si[4x4]Si[4,4]Si[4x4]2)(C[6a]C[6a]C)2{1|Si<4>,1|B<3>,2|H<1>,3|C<3>}	Si[4,4](Si[4x4]Si[4x4]2C[6a])2(C[6a]C[6a]2)2{1|B<3>,4|C<4>,8|C<3>}	130.7545	2.579	2	130.7545	6.650	2	130.7545	6.650	2	130.7545	6.650	2	129.5017	4.275	6	125.5723	47.166	29
996	643	996	0:SP3_SP2_SP3	Si[4x4]	C[6a]	Si[4,4]	4:4:4:3:	4:3:3:	4:4:3:1:	Si[4x4]-4:Si[4x4]-4:Si[4,4]-4:C[6a]-3:	Si[4x4]-4:C[6a]-3:C[6a]-3:	Si[4x4]-4:Si[4x4]-4:C[6a]-3:H-1:	Si[4x4](Si[4x4]Si[4,4]Si[4x4]C[6a])2(Si[4,4]Si[4x4]C[6a]H)(C[6a]C[6a]2)	C[6a](Si[4x4]Si[4,4]Si[4x4]2)(C[6a]C[6a]C)2	Si[4,4](Si[4x4]Si[4x4]2C[6a])2(C[6a]C[6a]2)(H)	Si[4x4](Si[4x4]Si[4,4]Si[4x4]C[6a])2(Si[4,4]Si[4x4]C[6a]H)(C[6a]C[6a]2){10|C<3>,1|H<1>,2|C<4>}	C[6a](Si[4x4]Si[4,4]Si[4x4]2)(C[6a]C[6a]C)2{2|Si<4>,3|H<1>,4|C<3>}	Si[4,4](Si[4x4]Si[4x4]2C[6a])2(C[6a]C[6a]2)(H){1|Si<4>,2|C<4>,8|C<3>}	128.8752	1.827	4	128.8752	3.339	4	128.8752	3.339	4	128.8752	3.339	4	129.5017	4.275	6	125.5723	47.166	29
996	643	996	0:SP3_SP2_SP3	Si[4x4]	C[6a]	Si[4x4]	4:4:4:3:	4:3:3:	4:4:4:3:	Si[4x4]-4:Si[4x4]-4:Si[4,4]-4:C[6a]-3:	Si[4x4]-4:C[6a]-3:C[6a]-3:	Si[4x4]-4:Si[4x4]-4:Si[4,4]-4:C[6a]-3:	Si[4x4](Si[4x4]Si[4,4]Si[4x4]C[6a])2(Si[4,4]Si[4x4]C[6a]H)(C[6a]C[6a]2)	C[6a](Si[4x4]Si[4,4]Si[4x4]2)(C[6a]C[6a]C)2	Si[4x4](Si[4x4]Si[4,4]Si[4x4]C[6a])2(Si[4,4]Si[4x4]C[6a]H)(C[6a]C[6a]2)	Si[4x4](Si[4x4]Si[4,4]Si[4x4]C[6a])2(Si[4,4]Si[4x4]C[6a]H)(C[6a]C[6a]2){10|C<3>,1|H<1>,2|C<4>}	C[6a](Si[4x4]Si[4,4]Si[4x4]2)(C[6a]C[6a]C)2{2|Si<4>,3|H<1>,4|C<3>}	Si[4x4](Si[4x4]Si[4,4]Si[4x4]C[6a])2(Si[4,4]Si[4x4]C[6a]H)(C[6a]C[6a]2){10|C<3>,1|H<1>,2|C<4>}	127.1265	2.567	8	127.1265	6.591	8	127.1265	6.591	8	127.1265	6.591	8	127.1265	6.591	8	125.5723	47.166	29
996	670	956	0:SP3_SP2_SP2	Si[4]	Ge	N	3:3:3:3:	4:1:1:	4:3:3:	N[4]-3:N[4]-3:N-3:Ge-3:	Si[4]-4:Cl-1:Cl-1:	Si[4]-4:C[6a]-3:P-3:	Si[4](N[4]C[4]C)2(NC[6a]P)(GeCl2)	Ge(Si[4]N[4]2N)(Cl)2	N(Si[4]N[4]2Ge)(C[6a]C[6a]2)(PC[6a]2)	Si[4](N[4]C[4]C)2(NC[6a]P)(GeCl2){1|C<3>}	Ge(Si[4]N[4]2N)(Cl)2	N(Si[4]N[4]2Ge)(C[6a]C[6a]2)(PC[6a]2)	116.2310	0.000	1	116.2310	0.000	1	116.2310	0.000	1	116.2310	0.000	1	116.2310	0.000	1	116.2310	0.000	1
996	722	727	5:SP3_SP2_SPD5	Si[4,5]	Si[4,4,5]	C[5,6a]	5:3:4:3:	3:4:3:3:2:	3:4:3:	Si[4,4,5]-5:C[5,6a]-3:C[4]-4:N-3:	C[5,6a]-3:Si[4,5]-4:N[4]-3:N[4]-3:O[4]-2:	C[5,6a,6a]-3:Si[4,5]-4:C[6a]-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)	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])	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(Si[4,5]Si[4,4,5]C[4]N)(C[6a]C[6a]H)	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>}	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>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(Si[4,5]Si[4,4,5]C[4]N)(C[6a]C[6a]H){1|H<1>,1|O<2>,2|N<3>,5|C<3>}	95.0455	0.000	1	95.0455	0.000	1	95.0455	0.000	1	95.0455	0.000	1	95.0455	0.000	1	95.0455	0.000	1
996	722	790	0:SP3_SP-NON_SPD5	Si[4]	Si[4,4]	Cl	5:3:3:1:	3:4:3:3:1:	4:	Si[4,4]-5:C[4]-3:N-3:Cl-1:	C[4]-3:Si[4]-4:N[4]-3:N[4]-3:Cl-1:	Si[4]-4:	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)	Cl(Si[4]Si[4,4]C[4]N)	Si[4](Si[4,4]C[4]N[4]2Cl)(C[4]C[6a]C[4])(NCC)(Cl){2|C<4>,4|C<3>}	Si[4,4](C[4]C[6a]C[4])(Si[4]C[4]ClN)(N[4]C[4]C)2(Cl){4|C<3>}	Cl(Si[4]Si[4,4]C[4]N)	118.7790	0.000	1	118.7790	0.000	1	118.7790	0.000	1	118.7790	0.000	1	118.7790	0.000	1	118.7790	0.000	1
996	722	846	4:SP3_SP2_SPD5	Si[4]	Si[4,4]	C[4]	5:3:3:1:	3:4:3:3:1:	3:4:3:	Si[4,4]-5:C[4]-3:N-3:Cl-1:	C[4]-3:Si[4]-4:N[4]-3:N[4]-3:Cl-1:	C[4]-3:Si[4]-4:C[6a]-3:	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)	C[4](C[4]Si[4,4]C[6a])(Si[4]Si[4,4]ClN)(C[6a]C[6a]2)	Si[4](Si[4,4]C[4]N[4]2Cl)(C[4]C[6a]C[4])(NCC)(Cl){2|C<4>,4|C<3>}	Si[4,4](C[4]C[6a]C[4])(Si[4]C[4]ClN)(N[4]C[4]C)2(Cl){4|C<3>}	C[4](C[4]Si[4,4]C[6a])(Si[4]Si[4,4]ClN)(C[6a]C[6a]2){1|Cl<1>,2|H<1>,2|N<3>,4|C<3>}	74.5453	0.000	1	74.5453	0.000	1	74.5453	0.000	1	74.5453	0.000	1	74.5453	0.000	1	74.5453	0.000	1
996	722	956	0:SP3_SP2_SPD5	Si[4,5]	Si[4,4,5]	N	5:3:4:3:	3:4:3:3:2:	4:3:4:	Si[4,4,5]-5:C[5,6a]-3:C[4]-4:N-3:	C[5,6a]-3:Si[4,5]-4:N[4]-3:N[4]-3:O[4]-2:	Si[4,5]-4:C-3:C-4:	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])	N(Si[4,5]Si[4,4,5]C[5,6a]C[4])(CC[6a]N)(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){1|H<1>,2|C<4>,8|C<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]){1|H<1>,6|C<3>}	N(Si[4,5]Si[4,4,5]C[5,6a]C[4])(CC[6a]N)(CC3)	134.1250	0.000	1	134.1250	0.000	1	134.1250	0.000	1	134.1250	0.000	1	134.1250	0.000	1	130.2985	29.284	2
996	722	956	0:SP3_SP2_SPD5	Si[4]	Si[4,4]	N	5:3:3:1:	3:4:3:3:1:	4:3:4:	Si[4,4]-5:C[4]-3:N-3:Cl-1:	C[4]-3:Si[4]-4:N[4]-3:N[4]-3:Cl-1:	Si[4]-4:C-3:C-4:	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)	N(Si[4]Si[4,4]C[4]Cl)(CC[6a]N)(CC3)	Si[4](Si[4,4]C[4]N[4]2Cl)(C[4]C[6a]C[4])(NCC)(Cl){2|C<4>,4|C<3>}	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(Si[4]Si[4,4]C[4]Cl)(CC[6a]N)(CC3)	126.4720	0.000	1	126.4720	0.000	1	126.4720	0.000	1	126.4720	0.000	1	126.4720	0.000	1	130.2985	29.284	2
996	722	996	0:SP3_SP3_SPD5	Si[4,3x6]	Si[4,4]	Si[4,6,6]	4:5:4:4:	4:3:2:3:3:	4:5:4:4:	Si[4,6,6]-4:Si[4,4]-5:Si[4,6]-4:C[4x6]-4:	Si[4,3x6]-4:C[6a]-3:O[4]-2:N[4]-3:N[4]-3:	Si[4,3x6]-4:Si[4,4]-5:Si[4]-4:C[3x6]-4:	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	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[4,3x6](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>}	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>}	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>}	147.8890	0.000	1	147.8890	0.000	1	147.8890	0.000	1	147.8890	0.000	1	147.8890	0.000	1	140.7715	101.318	2
996	722	996	0:SP3_SP3_SPD5	Si[4,6,6]	Si[4,4]	Si[4,3x6]	4:5:4:4:	4:3:3:3:2:	4:5:4:4:	Si[4,3x6]-4:Si[4,4]-5:Si[4]-4:C[3x6]-4:	Si[4,6,6]-4:C[6a]-3:N[4]-3:N[4]-3:O[4]-2:	Si[4,6,6]-4:Si[4,4]-5:Si[4,6]-4:C[4x6]-4:	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])	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[4,6,6](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>}	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>}	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>}	133.6540	0.000	1	133.6540	0.000	1	133.6540	0.000	1	133.6540	0.000	1	133.6540	0.000	1	140.7715	101.318	2
996	722	996	4:SP3_SP3_SPD5	Si[4,3x6]	Si[4,4]	Si[4,6]	4:5:4:4:	4:3:2:3:3:	4:3:2:3:	Si[4,6,6]-4:Si[4,4]-5:Si[4,6]-4:C[4x6]-4:	Si[4,3x6]-4:C[6a]-3:O[4]-2:N[4]-3:N[4]-3:	Si[4,3x6]-4:C[6a]-3:O[4]-2:N[6]-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)	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	Si[4,6](Si[4,3x6]Si[4,6,6]Si[4,4]C[4x6])(C[6a]C[6,6a]C[6a])(O[4]Si[4,4])(N[6]C[6]C)	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>}	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>}	Si[4,6](Si[4,3x6]Si[4,6,6]Si[4,4]C[4x6])(C[6a]C[6,6a]C[6a])(O[4]Si[4,4])(N[6]C[6]C){1|Si<4>,1|Si<5>,1|C<4>,1|N<2>,1|O<2>,2|H<1>,2|N<3>,5|C<3>}	74.8800	0.000	1	74.8800	0.000	1	74.8800	0.000	1	74.8800	0.000	1	74.8800	0.000	1	74.2042	0.913	2
996	722	996	4:SP3_SP3_SPD5	Si[4,6,6]	Si[4,4]	Si[4]	4:5:4:4:	4:3:3:3:2:	4:3:2:3:	Si[4,3x6]-4:Si[4,4]-5:Si[4]-4:C[3x6]-4:	Si[4,6,6]-4:C[6a]-3:N[4]-3:N[4]-3:O[4]-2:	Si[4,6,6]-4:C[6a]-3:O[4]-2:N-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)	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])	Si[4](Si[4,6,6]Si[4,3x6]Si[4,4]C[3x6])(C[6a]C[6,6a]C[6a])(O[4]Si[4,4])(NCC)	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>}	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>}	Si[4](Si[4,6,6]Si[4,3x6]Si[4,4]C[3x6])(C[6a]C[6,6a]C[6a])(O[4]Si[4,4])(NCC){1|Si<4>,1|Si<5>,1|C<4>,1|O<2>,2|H<1>,2|N<3>,5|C<3>}	73.5284	0.000	1	73.5284	0.000	1	73.5284	0.000	1	73.5284	0.000	1	73.5284	0.000	1	74.2042	0.913	2
996	727	846	0:SP3_SP2_SP2	Si[4,5]	C[5,6a]	C[4]	3:4:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:Si[4,5]-4:C[4]-3:N-3:	C[5,6a,6a]-3:Si[4,5]-4:C[6a]-3:	Si[4,5]-4:C[4]-3:C[6a]-3:	Si[4,5](C[5,6a]C[5,6a,6a]C[6a])(Si[4,5]C[5,6a]C[4]N)(C[4]C[6a]C[4])(NCC)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(Si[4,5]Si[4,5]C[4]N)(C[6a]C[6a]H)	C[4](Si[4,5]C[5,6a]Si[4,5]N)(C[4]Si[4,5]C[6a])(C[6a]C[6a]2)	Si[4,5](C[5,6a]C[5,6a,6a]C[6a])(Si[4,5]C[5,6a]C[4]N)(C[4]C[6a]C[4])(NCC){1|H<1>,6|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(Si[4,5]Si[4,5]C[4]N)(C[6a]C[6a]H){1|H<1>,1|N<3>,5|C<3>}	C[4](Si[4,5]C[5,6a]Si[4,5]N)(C[4]Si[4,5]C[6a])(C[6a]C[6a]2){1|N<3>,2|H<1>,7|C<3>}	108.7550	7.262	2	108.7550	52.736	2	108.7550	52.736	2	108.7550	52.736	2	108.7550	52.736	2	108.7550	52.736	2
996	727	956	0:SP3_SP2_SP2	Si[4,5]	C[5,6a]	N	3:4:3:3:	3:4:3:	4:3:4:	C[5,6a]-3:Si[4,5]-4:C[4]-3:N-3:	C[5,6a,6a]-3:Si[4,5]-4:C[6a]-3:	Si[4,5]-4:C-3:C-4:	Si[4,5](C[5,6a]C[5,6a,6a]C[6a])(Si[4,5]C[5,6a]C[4]N)(C[4]C[6a]C[4])(NCC)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(Si[4,5]Si[4,5]C[4]N)(C[6a]C[6a]H)	N(Si[4,5]C[5,6a]Si[4,5]C[4])(CC[6a]N)(CC3)	Si[4,5](C[5,6a]C[5,6a,6a]C[6a])(Si[4,5]C[5,6a]C[4]N)(C[4]C[6a]C[4])(NCC){1|H<1>,6|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(Si[4,5]Si[4,5]C[4]N)(C[6a]C[6a]H){1|H<1>,1|N<3>,5|C<3>}	N(Si[4,5]C[5,6a]Si[4,5]C[4])(CC[6a]N)(CC3)	112.7390	0.000	1	112.7390	0.000	1	112.7390	0.000	1	112.7390	0.000	1	113.9265	2.820	2	113.9265	2.820	2
996	727	956	0:SP3_SP2_SP2	Si[4,5]	C[5,6a]	N	5:3:4:3:	3:4:3:	4:3:4:	Si[4,4,5]-5:C[5,6a]-3:C[4]-4:N-3:	C[5,6a,6a]-3:Si[4,5]-4:C[6a]-3:	Si[4,5]-4:C-3:C-4:	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)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(Si[4,5]Si[4,4,5]C[4]N)(C[6a]C[6a]H)	N(Si[4,5]Si[4,4,5]C[5,6a]C[4])(CC[6a]N)(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){1|H<1>,2|C<4>,8|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(Si[4,5]Si[4,4,5]C[4]N)(C[6a]C[6a]H){1|H<1>,1|O<2>,2|N<3>,5|C<3>}	N(Si[4,5]Si[4,4,5]C[5,6a]C[4])(CC[6a]N)(CC3)	115.1140	0.000	1	115.1140	0.000	1	115.1140	0.000	1	115.1140	0.000	1	113.9265	2.820	2	113.9265	2.820	2
996	727	956	0:SP3_SP2_SP3	Si[4,5]	C[5,6a]	N	3:4:3:3:	3:4:3:	4:3:4:	C[5,6a]-3:Si[4,5]-4:C[4]-3:N-3:	C[5,6a,6a]-3:Si[4,5]-4:C[6a]-3:	Si[4,5]-4:C-3:C-4:	Si[4,5](C[5,6a]C[5,6a,6a]C[6a])(Si[4,5]C[5,6a]C[4]N)(C[4]C[6a]C[4])(NCC)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(Si[4,5]Si[4,5]C[4]N)(C[6a]C[6a]H)	N(Si[4,5]C[5,6a]Si[4,5]C[4])(CC[6a]N)(CC3)	Si[4,5](C[5,6a]C[5,6a,6a]C[6a])(Si[4,5]C[5,6a]C[4]N)(C[4]C[6a]C[4])(NCC){1|H<1>,6|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(Si[4,5]Si[4,5]C[4]N)(C[6a]C[6a]H){1|H<1>,1|N<3>,5|C<3>}	N(Si[4,5]C[5,6a]Si[4,5]C[4])(CC[6a]N)(CC3)	114.5870	0.000	1	114.5870	0.000	1	114.5870	0.000	1	114.5870	0.000	1	114.5870	0.000	1	114.5870	0.000	1
996	727	996	5:SP3_SP2_SP3	Si[4,5]	C[5,6a]	Si[4,5]	3:4:3:3:	3:4:3:	3:4:3:3:	C[5,6a]-3:Si[4,5]-4:C[4]-3:N-3:	C[5,6a,6a]-3:Si[4,5]-4:C[6a]-3:	C[5,6a]-3:Si[4,5]-4:C[4]-3:N-3:	Si[4,5](C[5,6a]C[5,6a,6a]C[6a])(Si[4,5]C[5,6a]C[4]N)(C[4]C[6a]C[4])(NCC)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(Si[4,5]Si[4,5]C[4]N)(C[6a]C[6a]H)	Si[4,5](C[5,6a]C[5,6a,6a]C[6a])(Si[4,5]C[5,6a]C[4]N)(C[4]C[6a]C[4])(NCC)	Si[4,5](C[5,6a]C[5,6a,6a]C[6a])(Si[4,5]C[5,6a]C[4]N)(C[4]C[6a]C[4])(NCC){1|H<1>,6|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(Si[4,5]Si[4,5]C[4]N)(C[6a]C[6a]H){1|H<1>,1|N<3>,5|C<3>}	Si[4,5](C[5,6a]C[5,6a,6a]C[6a])(Si[4,5]C[5,6a]C[4]N)(C[4]C[6a]C[4])(NCC){1|H<1>,6|C<3>}	93.3039	3.299	2	93.3039	10.886	2	93.3039	10.886	2	93.3039	10.886	2	93.3039	10.886	2	93.3039	10.886	2
996	730	941	0:SP3_SP2_SP2	Si[4]	As	N	3:3:3:2:	4:3:3:	4:3:	N[4]-3:N[4]-3:As-3:N-2:	Si[4]-4:C[6a]-3:C[6a]-3:	Si[4]-4:C[6a]-3:	Si[4](N[4]C[4]C)2(AsC[6a]2)(NC[6a])	As(Si[4]N[4]2N)(C[6a]C[6a]2)2	N(Si[4]N[4]2As)(C[6a]C[6a]2)	Si[4](N[4]C[4]C)2(AsC[6a]2)(NC[6a]){1|C<3>}	As(Si[4]N[4]2N)(C[6a]C[6a]2)2	N(Si[4]N[4]2As)(C[6a]C[6a]2)	133.7540	0.000	1	133.7540	0.000	1	133.7540	0.000	1	133.7540	0.000	1	133.7540	0.000	1	133.7540	0.000	1
996	742	778	4:SP3_SP3_SPD5	Si[4,4,6]	B[4,5,6,6]	C[3x3,4,4x5,15x6]	5:4:3:3:	5:4:4:1:	6:6:5:6:4:	C[3x3,4,4x5,15x6]-5:B[4,5,6,6]-4:N[4]-3:N[4]-3:	B[3x3,4,5x5,14x6]-5:Si[4,4,6]-4:Si[4,5,6,6]-4:H-1:	B[4x3,5x5,20x6]-6:B[5x3,3x5,15x6]-6:B[3x3,4,5x5,14x6]-5:B[5x3,3x5,14x6]-6:Si[4,4,6]-4:	Si[4,4,6](C[3x3,4,4x5,15x6]B[3x3,4,5x5,14x6]B[4x3,5x5,20x6]B[5x3,3x5,14x6]B[5x3,3x5,15x6])(B[4,5,6,6]B[3x3,4,5x5,14x6]Si[4,5,6,6]H)(N[4]C[4]C)2	B[4,5,6,6](B[3x3,4,5x5,14x6]C[3x3,4,4x5,15x6]B[4x3,6x5,18x6]B[5x3,3x5,14x6]B[5x3,3x5,15x6])(Si[4,4,6]C[3x3,4,4x5,15x6]N[4]2)(Si[4,5,6,6]C[3,3,3x5,8x6]N[4]2)(H)	C[3x3,4,4x5,15x6](B[4x3,5x5,20x6]B[5x3,3x5,12x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]C[3,3,3x5,8x6]H)(B[5x3,3x5,15x6]B[4x3,5x5,20x6]B[5x3,3x5,14x6]B[5x3,4x5,12x6]B[5x3,5x5,8x6]H)(B[3x3,4,5x5,14x6]B[4x3,6x5,18x6]B[5x3,3x5,14x6]B[5x3,3x5,15x6]B[4,5,6,6])(B[5x3,3x5,14x6]B[3x3,4,5x5,14x6]B[5x3,3x5,15x6]2B[5x3,5x5,8x6]H)(Si[4,4,6]B[4,5,6,6]N[4]2)	Si[4,4,6](C[3x3,4,4x5,15x6]B[3x3,4,5x5,14x6]B[4x3,5x5,20x6]B[5x3,3x5,14x6]B[5x3,3x5,15x6])(B[4,5,6,6]B[3x3,4,5x5,14x6]Si[4,5,6,6]H)(N[4]C[4]C)2{1|C<3>,1|C<4>,2|N<3>,3|H<1>,5|B<6>}	B[4,5,6,6](B[3x3,4,5x5,14x6]C[3x3,4,4x5,15x6]B[4x3,6x5,18x6]B[5x3,3x5,14x6]B[5x3,3x5,15x6])(Si[4,4,6]C[3x3,4,4x5,15x6]N[4]2)(Si[4,5,6,6]C[3,3,3x5,8x6]N[4]2)(H){2|C<3>,3|H<1>,4|C<4>,5|B<6>}	C[3x3,4,4x5,15x6](B[4x3,5x5,20x6]B[5x3,3x5,12x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]C[3,3,3x5,8x6]H)(B[5x3,3x5,15x6]B[4x3,5x5,20x6]B[5x3,3x5,14x6]B[5x3,4x5,12x6]B[5x3,5x5,8x6]H)(B[3x3,4,5x5,14x6]B[4x3,6x5,18x6]B[5x3,3x5,14x6]B[5x3,3x5,15x6]B[4,5,6,6])(B[5x3,3x5,14x6]B[3x3,4,5x5,14x6]B[5x3,3x5,15x6]2B[5x3,5x5,8x6]H)(Si[4,4,6]B[4,5,6,6]N[4]2){1|Si<4>,1|B<6>,1|C<3>,2|C<4>,6|H<1>}	93.7218	0.000	1	93.7218	0.000	1	93.7218	0.000	1	93.7218	0.000	1	93.7218	0.000	1	93.7218	0.000	1
996	769	769	4:SP3_SP2_SP2	Si[4]	C[4,6a]	C[4,6a]	3:3:3:3:	3:4:3:	3:4:3:	C[4,6a]-3:C[4,6a]-3:C[6a]-3:C[6a]-3:	C[4,6a,6a]-3:Si[4]-4:C[6a]-3:	C[4,6a,6a]-3:Si[4]-4:C[6a]-3:	Si[4](C[4,6a]C[4,6a,6a]C[6a])2(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[4,6a](C[4,6a,6a]C[6a,6a]C[4,6a])(Si[4]C[4,6a]C[6a]2)(C[6a]C[6a]H)	C[4,6a](C[4,6a,6a]C[6a,6a]C[4,6a])(Si[4]C[4,6a]C[6a]2)(C[6a]C[6a]H)	Si[4](C[4,6a]C[4,6a,6a]C[6a])2(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2){5|H<1>,8|C<3>}	C[4,6a](C[4,6a,6a]C[6a,6a]C[4,6a])(Si[4]C[4,6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,7|C<3>}	C[4,6a](C[4,6a,6a]C[6a,6a]C[4,6a])(Si[4]C[4,6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,7|C<3>}	74.9692	0.000	1	74.9692	0.000	1	74.9692	0.000	1	74.9692	0.000	1	74.9692	0.000	1	74.9692	0.000	1
996	769	880	0:SP3_SP2_SP3	Si[4]	C[4,6a]	Si	3:4:4:1:	3:4:3:	4:3:1:1:	C[4,6a]-3:C[4]-4:Si-4:H-1:	C[4,6a]-3:Si[4]-4:C[6a]-3:	Si[4]-4:C[6a]-3:H-1:H-1:	Si[4](C[4,6a]C[4,6a]C[6a])(C[4]C[4,6a]Si2)(SiC[6a]HH)(H)	C[4,6a](C[4,6a]C[6a]C[4])(Si[4]C[4]SiH)(C[6a]C[6a]C)	Si(Si[4]C[4,6a]C[4]H)(C[6a]C[6a]2)(H)2	Si[4](C[4,6a]C[4,6a]C[6a])(C[4]C[4,6a]Si2)(SiC[6a]HH)(H){1|C<4>,2|C<3>}	C[4,6a](C[4,6a]C[6a]C[4])(Si[4]C[4]SiH)(C[6a]C[6a]C){2|Si<4>,1|C<3>,2|H<1>}	Si(Si[4]C[4,6a]C[4]H)(C[6a]C[6a]2)(H)2	107.3610	0.000	1	107.3610	0.000	1	107.3610	0.000	1	107.3610	0.000	1	107.3610	0.000	1	107.3610	0.000	1
996	769	907	4:SP3_SP2_SP3	Si[4]	C[4,6a]	Ge[4]	3:4:4:4:	3:4:3:	3:4:3:3:	C[4,6a]-3:Ge[4]-4:C-4:C-4:	C[4,6a]-3:Si[4]-4:C[6a]-3:	C[4,6a]-3:Si[4]-4:C[6a]-3:C[6a]-3:	Si[4](C[4,6a]C[4,6a]C[6a])(Ge[4]C[4,6a]C[6a]2)(CH3)2	C[4,6a](C[4,6a]C[6a]Ge[4])(Si[4]Ge[4]CC)(C[6a]C[6a]H)	Ge[4](C[4,6a]C[4,6a]C[6a])(Si[4]C[4,6a]CC)(C[6a]C[6a]2)2	Si[4](C[4,6a]C[4,6a]C[6a])(Ge[4]C[4,6a]C[6a]2)(CH3)2{1|H<1>,6|C<3>}	C[4,6a](C[4,6a]C[6a]Ge[4])(Si[4]Ge[4]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	Ge[4](C[4,6a]C[4,6a]C[6a])(Si[4]C[4,6a]CC)(C[6a]C[6a]2)2{2|Si<4>,3|H<1>,6|C<3>}	76.8675	0.000	1	76.8675	0.000	1	76.8675	0.000	1	76.8675	0.000	1	76.8675	0.000	1	76.8675	0.000	1
996	769	930	0:SP3_SP2_SP2	Si[4]	C[4,6a]	C	3:4:3:3:	3:4:3:	4:3:1:	C[4,6a]-3:C[4]-4:C[6a]-3:C-3:	C[4,6a]-3:Si[4]-4:C[6a]-3:	Si[4]-4:C-3:H-1:	Si[4](C[4,6a]C[4,6a]C[6a])(C[4]C[4,6a]CC)(C[6a]C[6a]2)(CCH)	C[4,6a](C[4,6a]C[6a]C[4])(Si[4]C[6a]C[4]C)(C[6a]C[6a]C)	C(Si[4]C[4,6a]C[6a]C[4])(CC[6a]C)(H)	Si[4](C[4,6a]C[4,6a]C[6a])(C[4]C[4,6a]CC)(C[6a]C[6a]2)(CCH){3|C<4>,4|C<3>}	C[4,6a](C[4,6a]C[6a]C[4])(Si[4]C[6a]C[4]C)(C[6a]C[6a]C){2|C<4>,2|H<1>,3|C<3>}	C(Si[4]C[4,6a]C[6a]C[4])(CC[6a]C)(H)	113.4990	0.000	1	113.4990	0.000	1	113.4990	0.000	1	113.4990	0.000	1	113.4990	0.000	1	113.4990	0.000	1
996	769	951	0:SP3_SP-NON_SP2	Si[4]	C[4,6a]	H	3:4:4:1:	3:4:3:	4:	C[4,6a]-3:C[4]-4:Si-4:H-1:	C[4,6a]-3:Si[4]-4:C[6a]-3:	Si[4]-4:	Si[4](C[4,6a]C[4,6a]C[6a])(C[4]C[4,6a]Si2)(SiC[6a]HH)(H)	C[4,6a](C[4,6a]C[6a]C[4])(Si[4]C[4]SiH)(C[6a]C[6a]C)	H(Si[4]C[4,6a]C[4]Si)	Si[4](C[4,6a]C[4,6a]C[6a])(C[4]C[4,6a]Si2)(SiC[6a]HH)(H){1|C<4>,2|C<3>}	C[4,6a](C[4,6a]C[6a]C[4])(Si[4]C[4]SiH)(C[6a]C[6a]C){2|Si<4>,1|C<3>,2|H<1>}	H(Si[4]C[4,6a]C[4]Si)	117.6980	0.000	1	117.6980	0.000	1	117.6980	0.000	1	117.6980	0.000	1	117.6980	0.000	1	117.6980	0.000	1
996	769	996	4:SP3_SP2_SP3	Si[4]	C[4,6a]	Si[4]	3:4:4:4:	3:4:3:	3:4:4:4:	C[4,6a]-3:Si[4]-4:C-4:C-4:	C[4,6a]-3:Si[4]-4:C[6a]-3:	C[4,6a]-3:Si[4]-4:C-4:C-4:	Si[4](C[4,6a]C[4,6a]C[6a])(Si[4]C[4,6a]CC)(CH3)2	C[4,6a](C[4,6a]C[6a]Si[4])(Si[4]Si[4]CC)(C[6a]C[6a]Si)	Si[4](C[4,6a]C[4,6a]C[6a])(Si[4]C[4,6a]CC)(CH3)2	Si[4](C[4,6a]C[4,6a]C[6a])(Si[4]C[4,6a]CC)(CH3)2{1|Si<4>,2|C<3>}	C[4,6a](C[4,6a]C[6a]Si[4])(Si[4]Si[4]CC)(C[6a]C[6a]Si){1|Si<4>,1|C<3>,1|H<1>,2|C<4>}	Si[4](C[4,6a]C[4,6a]C[6a])(Si[4]C[4,6a]CC)(CH3)2{1|Si<4>,2|C<3>}	76.4297	0.095	2	76.4297	0.009	2	76.4297	0.009	2	76.4297	0.009	2	76.4297	0.009	2	76.4297	0.009	2
996	778	846	6:SP3_SP2_SPD5	Si[4,6,6]	C[3x3,4,3x5,16x6]	C[4,6,6]	5:3:3:3:	6:6:6:6:4:	5:4:3:	C[3x3,4,3x5,16x6]-5:C[4,6,6]-3:N[4]-3:N[4]-3:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,22x6]-6:B[4x3,4,5x5,22x6]-6:Si[4,6,6]-4:	Si[4,4,6,6]-5:Si[4,6,6]-4:N[4]-3:	Si[4,6,6](C[3x3,4,3x5,16x6]B[4x3,4,5x5,22x6]2B[5x3,4x5,17x6]2)(C[4,6,6]Si[4,4,6,6]N[4])(N[4]C[4]C)2	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[4,6,6]C[4,6,6]N[4]2)	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[4,6,6](C[3x3,4,3x5,16x6]B[4x3,4,5x5,22x6]2B[5x3,4x5,17x6]2)(C[4,6,6]Si[4,4,6,6]N[4])(N[4]C[4]C)2{1|C<5>,2|N<3>,3|C<3>,4|H<1>,5|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[4,6,6]C[4,6,6]N[4]2){1|Si<5>,1|B<6>,1|C<3>,1|N<3>,2|C<4>,5|H<1>}	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>}	101.6320	0.000	1	101.6320	0.000	1	101.6320	0.000	1	101.6320	0.000	1	101.6320	0.000	1	101.6320	0.000	1
996	778	863	0:SP3_SP2_SPD5	Si[4]	C[3x3,4,3x5,14x6]	O	5:3:3:1:	6:6:6:6:4:	4:	C[3x3,4,3x5,14x6]-5:N[4]-3:N[4]-3:O-1:	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:	Si[4]-4:	Si[4](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(N[4]C[4]C)2(O)	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]N[4]2O)	O(Si[4]C[3x3,4,3x5,14x6]N[4]2)	Si[4](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(N[4]C[4]C)2(O){1|C<3>,1|C<5>,4|H<1>,5|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]N[4]2O){1|B<6>,1|C<3>,1|P<3>,2|C<4>,5|H<1>}	O(Si[4]C[3x3,4,3x5,14x6]N[4]2)	120.2290	0.000	1	121.3675	2.592	2	121.3675	2.592	2	121.3675	2.592	2	121.3675	2.592	2	121.3675	2.592	2
996	778	863	0:SP3_SP2_SPD5	Si[4]	C[3x3,4,3x5,14x6]	O	5:3:3:1:	6:6:6:6:4:	4:	C[3x3,4,3x5,14x6]-5:N[4]-3:N[4]-3:O-1:	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:	Si[4]-4:	Si[4](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(N[4]C[4]C)2(O)	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]N[4]2O)	O(Si[4]C[3x3,4,3x5,14x6]N[4]2)	Si[4](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(N[4]C[4]C)2(O){1|C<3>,1|C<5>,4|H<1>,5|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]N[4]2O){1|B<6>,1|C<3>,1|P<4>,2|C<4>,5|H<1>}	O(Si[4]C[3x3,4,3x5,14x6]N[4]2)	122.5060	0.000	1	121.3675	2.592	2	121.3675	2.592	2	121.3675	2.592	2	121.3675	2.592	2	121.3675	2.592	2
996	778	874	6:SP3_SP3_SPD5	Si[4,6,6]	C[3x3,4,3x5,16x6]	B[6,6]	5:4:3:3:	6:6:6:6:4:	4:4:1:1:	C[3x3,4,3x5,16x6]-5:B[6,6]-4:N[4]-3:N[4]-3:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,22x6]-6:B[4x3,4,5x5,22x6]-6:Si[4,6,6]-4:	Si[4,6,6]-4:Si[4,6,6]-4:H-1:H-1:	Si[4,6,6](C[3x3,4,3x5,16x6]B[4x3,4,5x5,22x6]2B[5x3,4x5,17x6]2)(B[6,6]Si[4,6,6]HH)(N[4]C[4]C)2	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[4,6,6]B[6,6]N[4]2)	B[6,6](Si[4,6,6]C[3x3,4,3x5,16x6]N[4]2)2(H)2	Si[4,6,6](C[3x3,4,3x5,16x6]B[4x3,4,5x5,22x6]2B[5x3,4x5,17x6]2)(B[6,6]Si[4,6,6]HH)(N[4]C[4]C)2{1|C<3>,1|C<5>,2|N<3>,4|H<1>,5|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[4,6,6]B[6,6]N[4]2){1|Si<4>,1|B<6>,1|C<3>,2|C<4>,7|H<1>}	B[6,6](Si[4,6,6]C[3x3,4,3x5,16x6]N[4]2)2(H)2{2|C<3>,4|C<4>,6|B<6>}	107.6260	0.139	2	107.6260	0.019	2	107.6260	0.019	2	107.6260	0.019	2	107.6260	0.019	2	107.6260	0.019	2
996	790	790	0:SP3_SP-NON_SP-NON	Si[4]	Cl	Cl	3:3:1:1:	4:	4:	N[4]-3:N[4]-3:Cl-1:Cl-1:	Si[4]-4:	Si[4]-4:	Si[4](N[4]C[6a]Si[4])2(Cl)2	Cl(Si[4]N[4]2Cl)	Cl(Si[4]N[4]2Cl)	Si[4](N[4]C[6a]Si[4])2(Cl)2{2|Cl<1>,4|C<3>}	Cl(Si[4]N[4]2Cl)	Cl(Si[4]N[4]2Cl)	104.9460	0.000	1	104.9460	0.000	1	105.5875	0.823	2	105.5875	0.823	2	106.1875	1.084	4	106.1875	1.084	4
996	790	790	0:SP3_SP-NON_SP-NON	Si[4]	Cl	Cl	3:3:1:1:	4:	4:	N[4]-3:N[4]-3:Cl-1:Cl-1:	Si[4]-4:	Si[4]-4:	Si[4](N[4]P[3x4]Si)2(Cl)2	Cl(Si[4]N[4]2Cl)	Cl(Si[4]N[4]2Cl)	Si[4](N[4]P[3x4]Si)2(Cl)2{2|P<3>}	Cl(Si[4]N[4]2Cl)	Cl(Si[4]N[4]2Cl)	106.2290	0.000	1	106.2290	0.000	1	105.5875	0.823	2	105.5875	0.823	2	106.1875	1.084	4	106.1875	1.084	4
996	790	790	0:SP3_SP-NON_SP-NON	Si[4]	Cl	Cl	4:4:1:1:	4:	4:	C[4]-4:C[4]-4:Cl-1:Cl-1:	Si[4]-4:	Si[4]-4:	Si[4](C[4]C[4]HH)2(Cl)2	Cl(Si[4]C[4]2Cl)	Cl(Si[4]C[4]2Cl)	Si[4](C[4]C[4]HH)2(Cl)2{2|H<1>}	Cl(Si[4]C[4]2Cl)	Cl(Si[4]C[4]2Cl)	106.0840	0.000	1	106.0840	0.000	1	106.0840	0.000	1	106.7875	0.990	2	106.1875	1.084	4	106.1875	1.084	4
996	790	790	0:SP3_SP-NON_SP-NON	Si[4]	Cl	Cl	4:4:1:1:	4:	4:	Si[4,5]-4:Si[4,5]-4:Cl-1:Cl-1:	Si[4]-4:	Si[4]-4:	Si[4](Si[4,5]Si[4]C[5]2)2(Cl)2	Cl(Si[4]Si[4,5]2Cl)	Cl(Si[4]Si[4,5]2Cl)	Si[4](Si[4,5]Si[4]C[5]2)2(Cl)2{2|Cl<1>,8|Si<4>,4|C<4>}	Cl(Si[4]Si[4,5]2Cl)	Cl(Si[4]Si[4,5]2Cl)	107.4910	0.000	1	107.4910	0.000	1	107.4910	0.000	1	106.7875	0.990	2	106.1875	1.084	4	106.1875	1.084	4
996	790	846	0:SP3_SP-NON_SP2	Si[4]	Cl	C[4]	5:3:3:1:	4:	3:4:3:	Si[4,4]-5:C[4]-3:N-3:Cl-1:	Si[4]-4:	C[4]-3:Si[4]-4:C[6a]-3:	Si[4](Si[4,4]C[4]N[4]2Cl)(C[4]C[6a]C[4])(NCC)(Cl)	Cl(Si[4]Si[4,4]C[4]N)	C[4](C[4]Si[4,4]C[6a])(Si[4]Si[4,4]ClN)(C[6a]C[6a]2)	Si[4](Si[4,4]C[4]N[4]2Cl)(C[4]C[6a]C[4])(NCC)(Cl){2|C<4>,4|C<3>}	Cl(Si[4]Si[4,4]C[4]N)	C[4](C[4]Si[4,4]C[6a])(Si[4]Si[4,4]ClN)(C[6a]C[6a]2){1|Cl<1>,2|H<1>,2|N<3>,4|C<3>}	91.5939	0.000	1	91.5939	0.000	1	91.5939	0.000	1	91.5939	0.000	1	91.5939	0.000	1	91.5939	0.000	1
996	790	872	0:SP3_SP-NON_SP3	Si[4,6]	Cl	Si[3,4,6]	4:4:3:1:	4:	4:4:4:3:	Si[3,4,6]-4:C[4,5,6]-4:N-3:Cl-1:	Si[4,6]-4:	C[3,4,5]-4:C[3,5,6]-4:Si[4,6]-4:N-3:	Si[4,6](Si[3,4,6]C[3,4,5]C[3,5,6]N)(C[4,5,6]C[3,4,5]C[5,6]C)(NSi2)(Cl)	Cl(Si[4,6]Si[3,4,6]C[4,5,6]N)	Si[3,4,6](C[3,4,5]C[3,5,6]C[4,5,6]C)(C[3,5,6]C[3,4,5]C[5,6]C)(Si[4,6]C[4,5,6]ClN)(NSi2)	Si[4,6](Si[3,4,6]C[3,4,5]C[3,5,6]N)(C[4,5,6]C[3,4,5]C[5,6]C)(NSi2)(Cl){1|C<3>,3|C<4>}	Cl(Si[4,6]Si[3,4,6]C[4,5,6]N)	Si[3,4,6](C[3,4,5]C[3,5,6]C[4,5,6]C)(C[3,5,6]C[3,4,5]C[5,6]C)(Si[4,6]C[4,5,6]ClN)(NSi2){1|C<3>,2|C<4>}	105.8630	0.000	1	105.8630	0.000	1	105.8630	0.000	1	105.8630	0.000	1	105.8630	0.000	1	105.8630	0.000	1
996	790	956	0:SP3_SP-NON_SP2	Si[4,6]	Cl	N	4:4:3:1:	4:	4:4:4:	Si[3,4,6]-4:C[4,5,6]-4:N-3:Cl-1:	Si[4,6]-4:	Si[4,6]-4:Si-4:Si-4:	Si[4,6](Si[3,4,6]C[3,4,5]C[3,5,6]N)(C[4,5,6]C[3,4,5]C[5,6]C)(NSi2)(Cl)	Cl(Si[4,6]Si[3,4,6]C[4,5,6]N)	N(Si[4,6]Si[3,4,6]C[4,5,6]Cl)(SiC3)2	Si[4,6](Si[3,4,6]C[3,4,5]C[3,5,6]N)(C[4,5,6]C[3,4,5]C[5,6]C)(NSi2)(Cl){1|C<3>,3|C<4>}	Cl(Si[4,6]Si[3,4,6]C[4,5,6]N)	N(Si[4,6]Si[3,4,6]C[4,5,6]Cl)(SiC3)2	106.8990	0.000	1	106.8990	0.000	1	106.8990	0.000	1	106.8990	0.000	1	106.8990	0.000	1	112.2920	13.192	4
996	790	956	0:SP3_SP-NON_SP2	Si[4]	Cl	N	3:3:3:1:	4:	4:3:4:	N[4]-3:N[4]-3:N-3:Cl-1:	Si[4]-4:	Si[4]-4:Ge-3:Si-4:	Si[4](N[4]C[4]C)2(NGeSi)(Cl)	Cl(Si[4]N[4]2N)	N(Si[4]N[4]2Cl)(GeCl2)(SiC3)	Si[4](N[4]C[4]C)2(NGeSi)(Cl){1|C<3>}	Cl(Si[4]N[4]2N)	N(Si[4]N[4]2Cl)(GeCl2)(SiC3)	113.3610	0.000	1	113.3610	0.000	1	113.3610	0.000	1	113.3610	0.000	1	114.0897	0.398	3	112.2920	13.192	4
996	790	956	0:SP3_SP-NON_SP2	Si[4]	Cl	N	3:3:3:1:	4:	4:4:4:	N[4]-3:N[4]-3:N-3:Cl-1:	Si[4]-4:	Si[4]-4:Si-4:Si-4:	Si[4](N[4]C[4]C)2(NSi2)(Cl)	Cl(Si[4]N[4]2N)	N(Si[4]N[4]2Cl)(SiC3)2	Si[4](N[4]C[4]C)2(NSi2)(Cl){1|C<3>}	Cl(Si[4]N[4]2N)	N(Si[4]N[4]2Cl)(SiC3)2	114.4540	0.000	1	114.4540	0.000	1	114.4540	0.000	1	114.4540	0.000	1	114.0897	0.398	3	112.2920	13.192	4
996	790	956	0:SP3_SP-NON_SP2	Si[4]	Cl	N	5:3:3:1:	4:	4:3:4:	Si[4,4]-5:C[4]-3:N-3:Cl-1:	Si[4]-4:	Si[4]-4:C-3:C-4:	Si[4](Si[4,4]C[4]N[4]2Cl)(C[4]C[6a]C[4])(NCC)(Cl)	Cl(Si[4]Si[4,4]C[4]N)	N(Si[4]Si[4,4]C[4]Cl)(CC[6a]N)(CC3)	Si[4](Si[4,4]C[4]N[4]2Cl)(C[4]C[6a]C[4])(NCC)(Cl){2|C<4>,4|C<3>}	Cl(Si[4]Si[4,4]C[4]N)	N(Si[4]Si[4,4]C[4]Cl)(CC[6a]N)(CC3)	114.4540	0.000	1	114.4540	0.000	1	114.4540	0.000	1	114.4540	0.000	1	114.0897	0.398	3	112.2920	13.192	4
996	790	956	0:SP3_SP-NON_SP3	Si[4]	Cl	N	3:3:3:1:	4:	4:4:4:	N[4]-3:N[4]-3:N-3:Cl-1:	Si[4]-4:	Si[4]-4:Si-4:Si-4:	Si[4](N[4]C[4]C)2(NSi2)(Cl)	Cl(Si[4]N[4]2N)	N(Si[4]N[4]2Cl)(SiC3)2	Si[4](N[4]C[4]C)2(NSi2)(Cl){1|C<3>}	Cl(Si[4]N[4]2N)	N(Si[4]N[4]2Cl)(SiC3)2	114.2080	0.000	1	114.2080	0.000	1	114.2080	0.000	1	114.2080	0.000	1	114.2080	0.000	1	114.2080	0.000	1
996	790	996	0:SP3_SP-NON_SP3	Si[4]	Cl	Si[4,5]	4:4:1:1:	4:	4:4:4:4:	Si[4,5]-4:Si[4,5]-4:Cl-1:Cl-1:	Si[4]-4:	Si[4]-4:Si[4]-4:C[5]-4:C[5]-4:	Si[4](Si[4,5]Si[4]C[5]2)2(Cl)2	Cl(Si[4]Si[4,5]2Cl)	Si[4,5](Si[4]Si[4,5]Cl2)2(C[5]C[5]Si2)2	Si[4](Si[4,5]Si[4]C[5]2)2(Cl)2{2|Cl<1>,8|Si<4>,4|C<4>}	Cl(Si[4]Si[4,5]2Cl)	Si[4,5](Si[4]Si[4,5]Cl2)2(C[5]C[5]Si2)2{2|C<4>,4|H<1>}	109.2393	14.300	4	109.2393	204.487	4	109.2393	204.487	4	109.2393	204.487	4	109.2393	204.487	4	109.2393	204.487	4
996	813	813	6:SP3_SP2_SP2	Si[4,6]	N[5a,6]	N[5a,6]	3:3:4:4:	4:3:3:	4:3:3:	N[5a,6]-3:N[5a,6]-3:C[4]-4:C[4]-4:	Si[4,6]-4:C[5a,6]-3:C[5a]-3:	Si[4,6]-4:C[5a,6]-3:C[5a]-3:	Si[4,6](N[5a,6]C[5a,6]C[5a])2(C[4]C[4]HH)2	N[5a,6](Si[4,6]N[5a,6]C[4]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	N[5a,6](Si[4,6]N[5a,6]C[4]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	Si[4,6](N[5a,6]C[5a,6]C[5a])2(C[4]C[4]HH)2{2|C<4>,2|H<1>,5|C<3>}	N[5a,6](Si[4,6]N[5a,6]C[4]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){3|C<3>,3|C<4>,4|H<1>}	N[5a,6](Si[4,6]N[5a,6]C[4]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){3|C<3>,3|C<4>,4|H<1>}	101.5432	0.451	5	101.5432	0.203	5	101.5432	0.203	5	101.5432	0.203	5	101.5432	0.203	5	101.5432	0.203	5
996	818	951	0:SP3_SP-NON_SP2	Si[4]	C[5]	H	3:3:3:1:	4:3:3:	4:	C[5]-3:N[4]-3:N[4]-3:H-1:	Si[4]-4:C[5]-3:C[5]-3:	Si[4]-4:	Si[4](C[5]C[5]2)(N[4]C[4]C)2(H)	C[5](Si[4]N[4]2H)(C[5]C[5]C)2	H(Si[4]C[5]N[4]2)	Si[4](C[5]C[5]2)(N[4]C[4]C)2(H){2|C<4>,3|C<3>}	C[5](Si[4]N[4]2H)(C[5]C[5]C)2{1|C<3>,4|C<4>}	H(Si[4]C[5]N[4]2)	119.3670	0.000	1	119.3670	0.000	1	119.3670	0.000	1	119.3670	0.000	1	119.3670	0.000	1	119.3670	0.000	1
996	830	830	0:SP3_SP-NON_SP-NON	Si[4]	F	F	3:3:1:1:	4:	4:	N[4]-3:N[4]-3:F-1:F-1:	Si[4]-4:	Si[4]-4:	Si[4](N[4]C[6a]Si[4])(N[4]Si[4]Si)(F)2	F(Si[4]N[4]2F)	F(Si[4]N[4]2F)	Si[4](N[4]C[6a]Si[4])(N[4]Si[4]Si)(F)2{1|C<4>,3|C<3>}	F(Si[4]N[4]2F)	F(Si[4]N[4]2F)	102.1100	0.000	1	102.1100	0.000	1	102.1100	0.000	1	102.1100	0.000	1	102.1100	0.000	1	102.1100	0.000	1
996	846	846	0:SP3_SP2_SP2	Si[4,4]	C[4]	C[4]	4:3:3:4:	4:3:4:	4:3:4:	Si[4,4]-4:C[4]-3:C[4]-3:Si-4:	Si[4,4]-4:C[4]-3:C-4:	Si[4,4]-4:C[4]-3:C-4:	Si[4,4](Si[4,4]C[4]2Si)(C[4]C[4]C)2(SiC3)	C[4](Si[4,4]Si[4,4]C[4]Si)(C[4]Si[4,4]C)(CCHH)	C[4](Si[4,4]Si[4,4]C[4]Si)(C[4]Si[4,4]C)(CCHH)	Si[4,4](Si[4,4]C[4]2Si)(C[4]C[4]C)2(SiC3){2|C<4>}	C[4](Si[4,4]Si[4,4]C[4]Si)(C[4]Si[4,4]C)(CCHH){1|Si<4>,1|C<3>,1|C<4>}	C[4](Si[4,4]Si[4,4]C[4]Si)(C[4]Si[4,4]C)(CCHH){1|Si<4>,1|C<3>,1|C<4>}	105.2893	1.222	4	105.2893	1.494	4	105.2893	1.494	4	105.2893	1.494	4	105.2893	1.494	4	105.2893	1.494	4
996	846	846	4:SP3_SP2_SP2	Si[4]	C[4]	C[4]	3:3:4:4:	4:3:3:	4:3:3:	C[4]-3:C[4]-3:C-4:C-4:	Si[4]-4:C[6a]-3:C[4]-3:	Si[4]-4:C[4]-3:C-3:	Si[4](C[4]C[6a]C[4])(C[4]C[4]C)(CH3)2	C[4](Si[4]C[4]CC)(C[6a]C[6a]2)(C[4]C[4]H)	C[4](Si[4]C[4]CC)(C[4]C[4]H)(CC[6a]C)	Si[4](C[4]C[6a]C[4])(C[4]C[4]C)(CH3)2{1|H<1>,2|C<3>}	C[4](Si[4]C[4]CC)(C[6a]C[6a]2)(C[4]C[4]H){2|H<1>,3|C<3>}	C[4](Si[4]C[4]CC)(C[4]C[4]H)(CC[6a]C){1|C<3>}	74.7313	0.000	1	74.7313	0.000	1	74.7313	0.000	1	74.7313	0.000	1	75.1604	0.109	4	75.1604	0.109	4
996	846	846	4:SP3_SP2_SP2	Si[4]	C[4]	C[4]	3:3:4:4:	4:3:3:	4:3:4:	C[4]-3:C[4]-3:C-4:C-4:	Si[4]-4:C[4]-3:C-3:	Si[4]-4:C[4]-3:Si-4:	Si[4](C[4]C[4]Si)(C[4]C[4]C)(CH3)2	C[4](Si[4]C[4]CC)(C[4]C[4]Ti)(CSiC)	C[4](Si[4]C[4]CC)(C[4]C[4]Ti)(SiC3)	Si[4](C[4]C[4]Si)(C[4]C[4]C)(CH3)2{1|Ti<11>}	C[4](Si[4]C[4]CC)(C[4]C[4]Ti)(CSiC){1|Si<4>}	C[4](Si[4]C[4]CC)(C[4]C[4]Ti)(SiC3){1|C<3>}	75.2255	0.209	2	75.2255	0.044	2	75.2255	0.044	2	75.2255	0.044	2	75.1604	0.109	4	75.1604	0.109	4
996	846	846	4:SP3_SP2_SP2	Si[4]	C[4]	C[4]	3:3:4:4:	4:3:4:	4:3:3:	C[4]-3:C[4]-3:C-4:C-4:	Si[4]-4:C[4]-3:C-4:	Si[4]-4:C[4]-3:C-3:	Si[4](C[4]C[4]C)2(CH3)2	C[4](Si[4]C[4]CC)(C[4]C[4]Ti)(CC3)	C[4](Si[4]C[4]CC)(C[4]C[4]Ti)(CCC)	Si[4](C[4]C[4]C)2(CH3)2{1|Ti<12>}	C[4](Si[4]C[4]CC)(C[4]C[4]Ti)(CC3){1|C<3>}	C[4](Si[4]C[4]CC)(C[4]C[4]Ti)(CCC){1|C<4>}	75.4593	0.000	1	75.4593	0.000	1	75.4593	0.000	1	75.4593	0.000	1	75.1604	0.109	4	75.1604	0.109	4
996	846	880	0:SP3_SP2_SP3	Si[4,4]	C[4]	Si	4:3:3:4:	4:3:4:	4:4:4:4:	Si[4,4]-4:C[4]-3:C[4]-3:Si-4:	Si[4,4]-4:C[4]-3:C-4:	Si[4,4]-4:C-4:C-4:C-4:	Si[4,4](Si[4,4]C[4]2Si)(C[4]C[4]C)2(SiC3)	C[4](Si[4,4]Si[4,4]C[4]Si)(C[4]Si[4,4]C)(CCHH)	Si(Si[4,4]Si[4,4]C[4]2)(CC3)2(CH3)	Si[4,4](Si[4,4]C[4]2Si)(C[4]C[4]C)2(SiC3){2|C<4>}	C[4](Si[4,4]Si[4,4]C[4]Si)(C[4]Si[4,4]C)(CCHH){1|Si<4>,1|C<3>,1|C<4>}	Si(Si[4,4]Si[4,4]C[4]2)(CC3)2(CH3)	122.3317	1.648	7	122.3317	2.717	7	122.3317	2.717	7	122.3317	2.717	7	122.3317	2.717	7	116.2238	34.271	23
996	846	880	0:SP3_SP2_SP3	Si[4,5]	C[4]	Si	4:4:3:4:	4:3:2:	4:4:4:4:	Ge[4,5]-4:Si[5]-4:C[4]-3:Si-4:	Si[4,5]-4:C[4]-3:C-2:	Si[4,5]-4:C-4:C-4:C-4:	Si[4,5](Ge[4,5]Si[5]C[4]Si)(Si[5]Si[5]CC)(C[4]C[4]C)(SiC3)	C[4](Si[4,5]Ge[4,5]Si[5]Si)(C[4]Ge[4,5]Si)(CC)	Si(Si[4,5]Ge[4,5]Si[5]C[4])(CH3)3	Si[4,5](Ge[4,5]Si[5]C[4]Si)(Si[5]Si[5]CC)(C[4]C[4]C)(SiC3){3|Si<4>,2|C<4>}	C[4](Si[4,5]Ge[4,5]Si[5]Si)(C[4]Ge[4,5]Si)(CC){3|Si<4>,2|C<4>}	Si(Si[4,5]Ge[4,5]Si[5]C[4])(CH3)3	113.3800	0.000	1	113.3800	0.000	1	113.3800	0.000	1	113.3800	0.000	1	113.3800	0.000	1	116.2238	34.271	23
996	846	880	0:SP3_SP2_SP3	Si[4]	C[4]	Si	3:3:3:4:	3:4:1:	4:4:4:4:	Si[4]-3:C[4]-3:C-3:Si-4:	C[4]-3:Si[4]-4:H-1:	Si[4]-4:C-4:C-4:C-4:	Si[4](Si[4]C[4]Si)(C[4]C[4]H)(CC[6a]C)(SiC3)	C[4](C[4]C[6a]Si[4])(Si[4]Si[4]SiC)(H)	Si(Si[4]Si[4]C[4]C)(CC3)2(CH3)	Si[4](Si[4]C[4]Si)(C[4]C[4]H)(CC[6a]C)(SiC3){1|C<3>}	C[4](C[4]C[6a]Si[4])(Si[4]Si[4]SiC)(H){1|Si<4>,2|C<3>}	Si(Si[4]Si[4]C[4]C)(CC3)2(CH3)	116.3140	0.000	1	116.3140	0.000	1	116.3140	0.000	1	116.3140	0.000	1	113.5631	25.875	15	116.2238	34.271	23
996	846	880	0:SP3_SP2_SP3	Si[4]	C[4]	Si	3:3:4:4:	4:3:2:	4:4:4:4:	Si[4]-3:C[4]-3:Si-4:Si-4:	Si[4]-4:Si[4]-3:N-2:	Si[4]-4:C-4:C-4:C-4:	Si[4](Si[4]Si[4]Si)(C[4]Si[4]N)(SiC3)2	C[4](Si[4]Si[4]Si2)(Si[4]Si[4]Si)(NC[6a])	Si(Si[4]Si[4]C[4]Si)(CC3)2(CH3)	Si[4](Si[4]Si[4]Si)(C[4]Si[4]N)(SiC3)2{1|Si<4>}	C[4](Si[4]Si[4]Si2)(Si[4]Si[4]Si)(NC[6a]){1|Si<4>}	Si(Si[4]Si[4]C[4]Si)(CC3)2(CH3)	112.0480	1.102	2	112.0480	1.214	2	112.0480	1.214	2	112.0480	1.214	2	113.5631	25.875	15	116.2238	34.271	23
996	846	880	0:SP3_SP2_SP3	Si[4]	C[4]	Si	3:3:4:4:	4:3:4:	4:4:4:4:	N[4]-3:C[4]-3:Si-4:Si-4:	Si[4]-4:C[4]-3:Si-4:	Si[4]-4:C-4:C-4:C-4:	Si[4](N[4]C[6a]C[4])(C[4]C[4]Si)(SiC3)2	C[4](Si[4]N[4]Si2)(C[4]N[4]N)(SiC3)	Si(Si[4]C[4]N[4]Si)(CH3)3	Si[4](N[4]C[6a]C[4])(C[4]C[4]Si)(SiC3)2{1|N<2>,2|C<3>}	C[4](Si[4]N[4]Si2)(C[4]N[4]N)(SiC3){1|C<3>}	Si(Si[4]C[4]N[4]Si)(CH3)3	117.6390	1.305	2	118.8077	5.533	4	118.8077	5.533	4	118.8077	5.533	4	113.5631	25.875	15	116.2238	34.271	23
996	846	880	0:SP3_SP2_SP3	Si[4]	C[4]	Si	3:3:4:4:	4:3:4:	4:4:4:4:	N[4]-3:C[4]-3:Si-4:Si-4:	Si[4]-4:C[4]-3:Si-4:	Si[4]-4:C-4:C-4:C-4:	Si[4](N[4]C[6a]C[4])(C[4]C[4]Si)(SiC3)2	C[4](Si[4]N[4]Si2)(C[4]N[4]N)(SiC3)	Si(Si[4]C[4]N[4]Si)(CH3)3	Si[4](N[4]C[6a]C[4])(C[4]C[4]Si)(SiC3)2{1|N<3>,2|C<3>}	C[4](Si[4]N[4]Si2)(C[4]N[4]N)(SiC3){1|C<3>}	Si(Si[4]C[4]N[4]Si)(CH3)3	119.9765	3.071	2	118.8077	5.533	4	118.8077	5.533	4	118.8077	5.533	4	113.5631	25.875	15	116.2238	34.271	23
996	846	880	0:SP3_SP2_SP3	Si[4]	C[4]	Si	4:3:2:4:	4:3:1:	4:4:4:4:	C[4]-4:C[4]-3:N-2:Si-4:	Si[4]-4:C[4]-3:H-1:	Si[4]-4:C-4:C-4:C-4:	Si[4](C[4]C[6a]C[4]H)(C[4]C[4]H)(NC[5])(SiC3)	C[4](Si[4]C[4]SiN)(C[4]C[4]H)(H)	Si(Si[4]C[4]2N)(CC3)3	Si[4](C[4]C[6a]C[4]H)(C[4]C[4]H)(NC[5])(SiC3){1|H<1>,2|C<3>}	C[4](Si[4]C[4]SiN)(C[4]C[4]H)(H){1|C<3>,1|H<1>}	Si(Si[4]C[4]2N)(CC3)3	112.7050	0.000	1	112.7050	0.000	1	112.7050	0.000	1	112.7050	0.000	1	113.5631	25.875	15	116.2238	34.271	23
996	846	880	0:SP3_SP2_SP3	Si[4]	C[4]	Si	4:3:4:2:	4:3:4:	4:4:4:4:	C[4]-4:C[4]-3:Si-4:O-2:	Si[4]-4:C[4]-3:C-4:	Si[4]-4:C-4:C-4:C-4:	Si[4](C[4]C[3x6]C[4]Si)(C[4]C[4]C)(SiC3)(OSi)	C[4](Si[4]C[4]SiO)(C[4]C[4]H)(CC3)	Si(Si[4]C[4]2O)(CH3)3	Si[4](C[4]C[3x6]C[4]Si)(C[4]C[4]C)(SiC3)(OSi){1|H<1>,3|C<4>}	C[4](Si[4]C[4]SiO)(C[4]C[4]H)(CC3){1|Si<4>,1|C<4>}	Si(Si[4]C[4]2O)(CH3)3	118.1560	0.000	1	118.1560	0.000	1	118.1560	0.000	1	118.1560	0.000	1	113.5631	25.875	15	116.2238	34.271	23
996	846	880	0:SP3_SP2_SP3	Si[4]	C[4]	Si	4:3:4:4:	3:4:1:	4:4:4:4:	Ge[4,6]-4:C[4]-3:Si-4:Si-4:	C[4]-3:Si[4]-4:H-1:	Si[4]-4:C-4:C-4:C-4:	Si[4](Ge[4,6]Si[6]C[4]C[6])(C[4]C[4]H)(SiC3)2	C[4](C[4]Ge[4,6]C[6a])(Si[4]Ge[4,6]Si2)(H)	Si(Si[4]Ge[4,6]C[4]Si)(CH3)3	Si[4](Ge[4,6]Si[6]C[4]C[6])(C[4]C[4]H)(SiC3)2{1|Si<4>,2|C<4>,3|C<3>}	C[4](C[4]Ge[4,6]C[6a])(Si[4]Ge[4,6]Si2)(H){1|Si<4>,3|C<3>}	Si(Si[4]Ge[4,6]C[4]Si)(CH3)3	110.0430	0.208	2	110.0430	0.043	2	110.0430	0.043	2	109.4907	20.182	6	113.5631	25.875	15	116.2238	34.271	23
996	846	880	0:SP3_SP2_SP3	Si[4]	C[4]	Si	4:3:4:4:	3:4:1:	4:4:4:4:	Ge[4]-4:C[4]-3:Si-4:Si-4:	C[4]-3:Si[4]-4:H-1:	Si[4]-4:C-4:C-4:C-4:	Si[4](Ge[4]C[4]Si2)(C[4]C[4]H)(SiC3)2	C[4](C[4]C[6a]Ge[4])(Si[4]Ge[4]Si2)(H)	Si(Si[4]Ge[4]C[4]Si)(CH3)3	Si[4](Ge[4]C[4]Si2)(C[4]C[4]H)(SiC3)2{1|C<3>}	C[4](C[4]C[6a]Ge[4])(Si[4]Ge[4]Si2)(H){2|Si<4>,2|C<3>}	Si(Si[4]Ge[4]C[4]Si)(CH3)3	109.3285	9.332	2	109.3285	87.080	2	109.2145	33.316	4	109.4907	20.182	6	113.5631	25.875	15	116.2238	34.271	23
996	846	880	0:SP3_SP2_SP3	Si[4]	C[4]	Si	4:3:4:4:	3:4:1:	4:4:4:4:	Ge[4]-4:C[4]-3:Si-4:Si-4:	C[4]-3:Si[4]-4:H-1:	Si[4]-4:C-4:C-4:C-4:	Si[4](Ge[4]C[4]SiC)(C[4]C[4]H)(SiC3)2	C[4](C[4]C[6a]Ge[4])(Si[4]Ge[4]Si2)(H)	Si(Si[4]Ge[4]C[4]Si)(CH3)3	Si[4](Ge[4]C[4]SiC)(C[4]C[4]H)(SiC3)2{1|C<3>}	C[4](C[4]C[6a]Ge[4])(Si[4]Ge[4]Si2)(H){1|Si<4>,3|C<3>}	Si(Si[4]Ge[4]C[4]Si)(CH3)3	109.1005	3.580	2	109.1005	12.817	2	109.2145	33.316	4	109.4907	20.182	6	113.5631	25.875	15	116.2238	34.271	23
996	846	893	0:SP3_SP2_SP3	Si[4]	C[4]	O	4:3:4:2:	4:3:4:	4:4:	C[4]-4:C[4]-3:Si-4:O-2:	Si[4]-4:C[4]-3:C-4:	Si[4]-4:Si-4:	Si[4](C[4]C[3x6]C[4]Si)(C[4]C[4]C)(SiC3)(OSi)	C[4](Si[4]C[4]SiO)(C[4]C[4]H)(CC3)	O(Si[4]C[4]2Si)(SiC3)	Si[4](C[4]C[3x6]C[4]Si)(C[4]C[4]C)(SiC3)(OSi){1|H<1>,3|C<4>}	C[4](Si[4]C[4]SiO)(C[4]C[4]H)(CC3){1|Si<4>,1|C<4>}	O(Si[4]C[4]2Si)(SiC3)	116.2680	0.000	1	116.2680	0.000	1	116.2680	0.000	1	116.2680	0.000	1	116.2680	0.000	1	116.2680	0.000	1
996	846	907	4:SP3_SP2_SP3	Si[4,5]	C[4]	Ge[4,5]	4:4:3:4:	4:3:2:	4:4:3:4:	Ge[4,5]-4:Si[5]-4:C[4]-3:Si-4:	Si[4,5]-4:C[4]-3:C-2:	Si[4,5]-4:Si[5]-4:C[4]-3:Si-4:	Si[4,5](Ge[4,5]Si[5]C[4]Si)(Si[5]Si[5]CC)(C[4]C[4]C)(SiC3)	C[4](Si[4,5]Ge[4,5]Si[5]Si)(C[4]Ge[4,5]Si)(CC)	Ge[4,5](Si[4,5]Si[5]C[4]Si)(Si[5]Si[5]Si2)(C[4]C[4]Si)(SiC3)	Si[4,5](Ge[4,5]Si[5]C[4]Si)(Si[5]Si[5]CC)(C[4]C[4]C)(SiC3){3|Si<4>,2|C<4>}	C[4](Si[4,5]Ge[4,5]Si[5]Si)(C[4]Ge[4,5]Si)(CC){3|Si<4>,2|C<4>}	Ge[4,5](Si[4,5]Si[5]C[4]Si)(Si[5]Si[5]Si2)(C[4]C[4]Si)(SiC3){1|C<2>,4|C<4>}	75.3207	0.000	1	75.3207	0.000	1	75.3207	0.000	1	75.3207	0.000	1	75.3207	0.000	1	75.9222	1.591	6
996	846	907	4:SP3_SP2_SP3	Si[4]	C[4]	Ge[4,4]	4:3:4:4:	3:4:3:	4:3:4:4:	Ge[4,4]-4:C[4]-3:C-4:C-4:	C[4]-3:Si[4]-4:C[6a]-3:	Ge[4]-4:C[4]-3:Si[4]-4:Si[4]-4:	Si[4](Ge[4,4]Ge[4]Si[4]C[4])(C[4]C[6a]C[4])(CH3)2	C[4](C[4]Ge[4,4]C[6a])(Si[4]Ge[4,4]CC)(C[6a]C[6a]2)	Ge[4,4](Ge[4]Ge[4]Si2)(C[4]C[6a]C[4])(Si[4]Ge[4]CC)(Si[4]C[4]CC)	Si[4](Ge[4,4]Ge[4]Si[4]C[4])(C[4]C[6a]C[4])(CH3)2{1|Ge<4>,2|Si<4>,2|C<4>,3|C<3>}	C[4](C[4]Ge[4,4]C[6a])(Si[4]Ge[4,4]CC)(C[6a]C[6a]2){1|Ge<4>,1|Si<4>,2|H<1>,4|C<3>}	Ge[4,4](Ge[4]Ge[4]Si2)(C[4]C[6a]C[4])(Si[4]Ge[4]CC)(Si[4]C[4]CC){2|Si<4>,3|C<3>}	77.4475	0.000	1	77.4475	0.000	1	77.4475	0.000	1	77.5208	0.011	2	77.5208	0.011	2	75.9222	1.591	6
996	846	907	4:SP3_SP2_SP3	Si[4]	C[4]	Ge[4,4]	4:3:4:4:	3:4:3:	4:3:4:4:	Ge[4,4]-4:C[4]-3:C-4:C-4:	C[4]-3:Si[4]-4:C[6a]-3:	Si[4]-4:C[4]-3:Si[4]-4:Si[4]-4:	Si[4](Ge[4,4]Si[4]2C[4])(C[4]C[6a]C[4])(CH3)2	C[4](C[4]Ge[4,4]C[6a])(Si[4]Ge[4,4]CC)(C[6a]C[6a]2)	Ge[4,4](Si[4]Si[4]Si2)(C[4]C[6a]C[4])(Si[4]Si[4]CC)(Si[4]C[4]CC)	Si[4](Ge[4,4]Si[4]2C[4])(C[4]C[6a]C[4])(CH3)2{3|Si<4>,2|C<4>,3|C<3>}	C[4](C[4]Ge[4,4]C[6a])(Si[4]Ge[4,4]CC)(C[6a]C[6a]2){2|Si<4>,2|H<1>,4|C<3>}	Ge[4,4](Si[4]Si[4]Si2)(C[4]C[6a]C[4])(Si[4]Si[4]CC)(Si[4]C[4]CC){2|Si<4>,3|C<3>}	77.5942	0.000	1	77.5942	0.000	1	77.5942	0.000	1	77.5208	0.011	2	77.5208	0.011	2	75.9222	1.591	6
996	846	907	4:SP3_SP2_SP3	Si[4]	C[4]	Ge[4,6]	4:3:4:4:	3:4:1:	3:3:4:4:	Ge[4,6]-4:C[4]-3:Si-4:Si-4:	C[4]-3:Si[4]-4:H-1:	C[4]-3:C[6]-3:Si[4]-4:Si[6]-4:	Si[4](Ge[4,6]Si[6]C[4]C[6])(C[4]C[4]H)(SiC3)2	C[4](C[4]Ge[4,6]C[6a])(Si[4]Ge[4,6]Si2)(H)	Ge[4,6](C[4]C[6a]C[4])(C[6]C[6a]C[6])(Si[4]C[4]Si2)(Si[6]Si[6]CC)	Si[4](Ge[4,6]Si[6]C[4]C[6])(C[4]C[4]H)(SiC3)2{1|Si<4>,2|C<4>,3|C<3>}	C[4](C[4]Ge[4,6]C[6a])(Si[4]Ge[4,6]Si2)(H){1|Si<4>,3|C<3>}	Ge[4,6](C[4]C[6a]C[4])(C[6]C[6a]C[6])(Si[4]C[4]Si2)(Si[6]Si[6]CC){1|Si<4>,2|C<4>,2|H<1>,4|C<3>}	74.9236	0.000	1	74.9236	0.000	1	74.9236	0.000	1	74.9236	0.000	1	74.9236	0.000	1	75.9222	1.591	6
996	846	907	4:SP3_SP2_SP3	Si[4]	C[4]	Ge[4]	4:3:4:4:	3:4:1:	3:4:3:4:	Ge[4]-4:C[4]-3:Si-4:Si-4:	C[4]-3:Si[4]-4:H-1:	C[4]-3:Si[4]-4:C-3:Si-4:	Si[4](Ge[4]C[4]SiC)(C[4]C[4]H)(SiC3)2	C[4](C[4]C[6a]Ge[4])(Si[4]Ge[4]Si2)(H)	Ge[4](C[4]C[6a]C[4])(Si[4]C[4]Si2)(CC[6a]C)(SiC3)	Si[4](Ge[4]C[4]SiC)(C[4]C[4]H)(SiC3)2{1|C<3>}	C[4](C[4]C[6a]Ge[4])(Si[4]Ge[4]Si2)(H){1|Si<4>,3|C<3>}	Ge[4](C[4]C[6a]C[4])(Si[4]C[4]Si2)(CC[6a]C)(SiC3){1|H<1>,2|C<3>}	75.4403	0.000	1	75.4403	0.000	1	75.4403	0.000	1	75.4403	0.000	1	75.1237	0.200	2	75.9222	1.591	6
996	846	907	4:SP3_SP2_SP3	Si[4]	C[4]	Ge[4]	4:3:4:4:	3:4:1:	3:4:4:4:	Ge[4]-4:C[4]-3:Si-4:Si-4:	C[4]-3:Si[4]-4:H-1:	C[4]-3:Si[4]-4:Si-4:Si-4:	Si[4](Ge[4]C[4]Si2)(C[4]C[4]H)(SiC3)2	C[4](C[4]C[6a]Ge[4])(Si[4]Ge[4]Si2)(H)	Ge[4](C[4]C[6a]C[4])(Si[4]C[4]Si2)(SiSi3)(SiC3)	Si[4](Ge[4]C[4]Si2)(C[4]C[4]H)(SiC3)2{1|C<3>}	C[4](C[4]C[6a]Ge[4])(Si[4]Ge[4]Si2)(H){2|Si<4>,2|C<3>}	Ge[4](C[4]C[6a]C[4])(Si[4]C[4]Si2)(SiSi3)(SiC3){1|H<1>,2|C<3>}	74.8071	0.000	1	74.8071	0.000	1	74.8071	0.000	1	74.8071	0.000	1	75.1237	0.200	2	75.9222	1.591	6
996	846	930	0:SP3_SP2_SP2	Si[4]	C[4]	C	3:3:3:4:	3:4:1:	4:3:3:	Si[4]-3:C[4]-3:C-3:Si-4:	C[4]-3:Si[4]-4:H-1:	Si[4]-4:C[6a]-3:C-3:	Si[4](Si[4]C[4]Si)(C[4]C[4]H)(CC[6a]C)(SiC3)	C[4](C[4]C[6a]Si[4])(Si[4]Si[4]SiC)(H)	C(Si[4]Si[4]C[4]Si)(C[6a]C[6a]2)(CSiH)	Si[4](Si[4]C[4]Si)(C[4]C[4]H)(CC[6a]C)(SiC3){1|C<3>}	C[4](C[4]C[6a]Si[4])(Si[4]Si[4]SiC)(H){1|Si<4>,2|C<3>}	C(Si[4]Si[4]C[4]Si)(C[6a]C[6a]2)(CSiH)	107.8090	0.000	1	107.8090	0.000	1	107.8090	0.000	1	107.8090	0.000	1	108.6140	1.296	2	108.6140	1.296	2
996	846	930	0:SP3_SP2_SP2	Si[4]	C[4]	C	4:3:3:2:	4:4:3:	4:3:3:	N[4,5]-4:C[4]-3:C-3:C-2:	Ga[4]-4:Si[4]-4:C-3:	Si[4]-4:Ga-3:C-3:	Si[4](N[4,5]Ga[4]C[5]2)(C[4]Ga[4]C)(CGaC)(CC)	C[4](Ga[4]N[4,5]CH)(Si[4]N[4,5]CC)(CCH)	C(Si[4]N[4,5]C[4]C)(GaCC)(CCH)	Si[4](N[4,5]Ga[4]C[5]2)(C[4]Ga[4]C)(CGaC)(CC){3|C<4>,5|H<1>}	C[4](Ga[4]N[4,5]CH)(Si[4]N[4,5]CC)(CCH){2|C<4>}	C(Si[4]N[4,5]C[4]C)(GaCC)(CCH)	109.4190	0.000	1	109.4190	0.000	1	109.4190	0.000	1	109.4190	0.000	1	108.6140	1.296	2	108.6140	1.296	2
996	846	941	0:SP3_SP2_SP2	Si[4]	C[4]	N	4:3:2:4:	4:3:1:	4:3:	C[4]-4:C[4]-3:N-2:Si-4:	Si[4]-4:C[4]-3:H-1:	Si[4]-4:C[5]-3:	Si[4](C[4]C[6a]C[4]H)(C[4]C[4]H)(NC[5])(SiC3)	C[4](Si[4]C[4]SiN)(C[4]C[4]H)(H)	N(Si[4]C[4]2Si)(C[5]N[5]2)	Si[4](C[4]C[6a]C[4]H)(C[4]C[4]H)(NC[5])(SiC3){1|H<1>,2|C<3>}	C[4](Si[4]C[4]SiN)(C[4]C[4]H)(H){1|C<3>,1|H<1>}	N(Si[4]C[4]2Si)(C[5]N[5]2)	122.8360	0.000	1	122.8360	0.000	1	122.8360	0.000	1	122.8360	0.000	1	122.8360	0.000	1	122.8360	0.000	1
996	846	956	0:SP3_SP2_SP2	Si[4,5]	C[4]	N	3:4:3:3:	4:3:3:	4:3:4:	C[5,6a]-3:Si[4,5]-4:C[4]-3:N-3:	Si[4,5]-4:C[4]-3:C[6a]-3:	Si[4,5]-4:C-3:C-4:	Si[4,5](C[5,6a]C[5,6a,6a]C[6a])(Si[4,5]C[5,6a]C[4]N)(C[4]C[6a]C[4])(NCC)	C[4](Si[4,5]C[5,6a]Si[4,5]N)(C[4]Si[4,5]C[6a])(C[6a]C[6a]2)	N(Si[4,5]C[5,6a]Si[4,5]C[4])(CC[6a]N)(CC3)	Si[4,5](C[5,6a]C[5,6a,6a]C[6a])(Si[4,5]C[5,6a]C[4]N)(C[4]C[6a]C[4])(NCC){1|H<1>,6|C<3>}	C[4](Si[4,5]C[5,6a]Si[4,5]N)(C[4]Si[4,5]C[6a])(C[6a]C[6a]2){1|N<3>,2|H<1>,7|C<3>}	N(Si[4,5]C[5,6a]Si[4,5]C[4])(CC[6a]N)(CC3)	115.1410	0.000	1	115.1410	0.000	1	115.1410	0.000	1	115.1410	0.000	1	115.1410	0.000	1	119.4303	152.803	3
996	846	956	0:SP3_SP2_SP2	Si[4]	C[4]	N	4:3:2:3:	4:4:2:	4:3:4:	C[5]-4:C[4]-3:O[4]-2:N-3:	Si[4]-4:Si[4]-4:C-2:	Si[4]-4:C-3:C-4:	Si[4](C[5]C[5]2Fe)(C[4]Si[4]C)(O[4]Si[4])(NCC)	C[4](Si[4]C[5]O[4]N)2(CO)	N(Si[4]C[4]C[5]O[4])(CC[6a]N)(CC3)	Si[4](C[5]C[5]2Fe)(C[4]Si[4]C)(O[4]Si[4])(NCC){1|N<3>,2|H<1>,3|C<4>}	C[4](Si[4]C[5]O[4]N)2(CO){1|Fe<10>,4|C<4>}	N(Si[4]C[4]C[5]O[4])(CC[6a]N)(CC3)	133.3650	0.000	1	133.3650	0.000	1	133.3650	0.000	1	133.3650	0.000	1	121.5750	278.008	2	119.4303	152.803	3
996	846	956	0:SP3_SP2_SP2	Si[4]	C[4]	N	5:3:3:1:	3:4:3:	4:3:4:	Si[4,4]-5:C[4]-3:N-3:Cl-1:	C[4]-3:Si[4]-4:C[6a]-3:	Si[4]-4:C-3:C-4:	Si[4](Si[4,4]C[4]N[4]2Cl)(C[4]C[6a]C[4])(NCC)(Cl)	C[4](C[4]Si[4,4]C[6a])(Si[4]Si[4,4]ClN)(C[6a]C[6a]2)	N(Si[4]Si[4,4]C[4]Cl)(CC[6a]N)(CC3)	Si[4](Si[4,4]C[4]N[4]2Cl)(C[4]C[6a]C[4])(NCC)(Cl){2|C<4>,4|C<3>}	C[4](C[4]Si[4,4]C[6a])(Si[4]Si[4,4]ClN)(C[6a]C[6a]2){1|Cl<1>,2|H<1>,2|N<3>,4|C<3>}	N(Si[4]Si[4,4]C[4]Cl)(CC[6a]N)(CC3)	109.7850	0.000	1	109.7850	0.000	1	109.7850	0.000	1	109.7850	0.000	1	121.5750	278.008	2	119.4303	152.803	3
996	846	956	0:SP3_SP2_SP3	Si[4,5]	C[4]	N	3:4:3:3:	4:3:3:	4:3:4:	C[5,6a]-3:Si[4,5]-4:C[4]-3:N-3:	Si[4,5]-4:C[4]-3:C[6a]-3:	Si[4,5]-4:C-3:C-4:	Si[4,5](C[5,6a]C[5,6a,6a]C[6a])(Si[4,5]C[5,6a]C[4]N)(C[4]C[6a]C[4])(NCC)	C[4](Si[4,5]C[5,6a]Si[4,5]N)(C[4]Si[4,5]C[6a])(C[6a]C[6a]2)	N(Si[4,5]C[5,6a]Si[4,5]C[4])(CC[6a]N)(CC3)	Si[4,5](C[5,6a]C[5,6a,6a]C[6a])(Si[4,5]C[5,6a]C[4]N)(C[4]C[6a]C[4])(NCC){1|H<1>,6|C<3>}	C[4](Si[4,5]C[5,6a]Si[4,5]N)(C[4]Si[4,5]C[6a])(C[6a]C[6a]2){1|N<3>,2|H<1>,7|C<3>}	N(Si[4,5]C[5,6a]Si[4,5]C[4])(CC[6a]N)(CC3)	123.6990	0.000	1	123.6990	0.000	1	123.6990	0.000	1	123.6990	0.000	1	123.6990	0.000	1	123.6990	0.000	1
996	846	980	4:SP3_SP2_SP3	Si[4]	C[4]	N[4,5]	4:3:3:2:	4:4:3:	4:4:4:4:	N[4,5]-4:C[4]-3:C-3:C-2:	Ga[4]-4:Si[4]-4:C-3:	Ga[4]-4:Si[4]-4:C[5]-4:C[5]-4:	Si[4](N[4,5]Ga[4]C[5]2)(C[4]Ga[4]C)(CGaC)(CC)	C[4](Ga[4]N[4,5]CH)(Si[4]N[4,5]CC)(CCH)	N[4,5](Ga[4]C[4]CH)(Si[4]C[4]CC)(C[5]C[5]HH)2	Si[4](N[4,5]Ga[4]C[5]2)(C[4]Ga[4]C)(CGaC)(CC){3|C<4>,5|H<1>}	C[4](Ga[4]N[4,5]CH)(Si[4]N[4,5]CC)(CCH){2|C<4>}	N[4,5](Ga[4]C[4]CH)(Si[4]C[4]CC)(C[5]C[5]HH)2{1|C<3>,4|H<1>}	90.9497	0.000	1	90.9497	0.000	1	90.9497	0.000	1	90.9497	0.000	1	90.9497	0.000	1	90.9497	0.000	1
996	846	983	0:SP3_SP1_SP2	Si[4]	C[4]	C	4:3:3:2:	4:4:3:	4:2:	N[4,5]-4:C[4]-3:C-3:C-2:	Ga[4]-4:Si[4]-4:C-3:	Si[4]-4:C-2:	Si[4](N[4,5]Ga[4]C[5]2)(C[4]Ga[4]C)(CGaC)(CC)	C[4](Ga[4]N[4,5]CH)(Si[4]N[4,5]CC)(CCH)	C(Si[4]N[4,5]C[4]C)(CC)	Si[4](N[4,5]Ga[4]C[5]2)(C[4]Ga[4]C)(CGaC)(CC){3|C<4>,5|H<1>}	C[4](Ga[4]N[4,5]CH)(Si[4]N[4,5]CC)(CCH){2|C<4>}	C(Si[4]N[4,5]C[4]C)(CC)	118.9470	0.000	1	118.9470	0.000	1	118.9470	0.000	1	118.9470	0.000	1	118.9470	0.000	1	118.9470	0.000	1
996	846	996	4:SP3_SP2_SP3	Si[4,4]	C[4]	Si[4,4]	4:3:3:4:	4:3:4:	4:3:3:4:	Si[4,4]-4:C[4]-3:C[4]-3:Si-4:	Si[4,4]-4:C[4]-3:C-4:	Si[4,4]-4:C[4]-3:C[4]-3:Si-4:	Si[4,4](Si[4,4]C[4]2Si)(C[4]C[4]C)2(SiC3)	C[4](Si[4,4]Si[4,4]C[4]Si)(C[4]Si[4,4]C)(CCHH)	Si[4,4](Si[4,4]C[4]2Si)(C[4]C[4]C)2(SiC3)	Si[4,4](Si[4,4]C[4]2Si)(C[4]C[4]C)2(SiC3){2|C<4>}	C[4](Si[4,4]Si[4,4]C[4]Si)(C[4]Si[4,4]C)(CCHH){1|Si<4>,1|C<3>,1|C<4>}	Si[4,4](Si[4,4]C[4]2Si)(C[4]C[4]C)2(SiC3){2|C<4>}	75.8528	0.398	7	75.8528	0.158	7	75.8528	0.158	7	75.8528	0.158	7	75.8528	0.158	7	75.8708	0.776	11
996	846	996	4:SP3_SP2_SP3	Si[4,5]	C[4]	Si[4,5]	3:4:3:3:	4:3:3:	3:4:3:3:	C[5,6a]-3:Si[4,5]-4:C[4]-3:N-3:	Si[4,5]-4:C[4]-3:C[6a]-3:	C[5,6a]-3:Si[4,5]-4:C[4]-3:N-3:	Si[4,5](C[5,6a]C[5,6a,6a]C[6a])(Si[4,5]C[5,6a]C[4]N)(C[4]C[6a]C[4])(NCC)	C[4](Si[4,5]C[5,6a]Si[4,5]N)(C[4]Si[4,5]C[6a])(C[6a]C[6a]2)	Si[4,5](C[5,6a]C[5,6a,6a]C[6a])(Si[4,5]C[5,6a]C[4]N)(C[4]C[6a]C[4])(NCC)	Si[4,5](C[5,6a]C[5,6a,6a]C[6a])(Si[4,5]C[5,6a]C[4]N)(C[4]C[6a]C[4])(NCC){1|H<1>,6|C<3>}	C[4](Si[4,5]C[5,6a]Si[4,5]N)(C[4]Si[4,5]C[6a])(C[6a]C[6a]2){1|N<3>,2|H<1>,7|C<3>}	Si[4,5](C[5,6a]C[5,6a,6a]C[6a])(Si[4,5]C[5,6a]C[4]N)(C[4]C[6a]C[4])(NCC){1|H<1>,6|C<3>}	75.4804	1.022	2	75.4804	1.045	2	75.4804	1.045	2	75.4804	1.045	2	75.4804	1.045	2	75.8708	0.776	11
996	846	996	4:SP3_SP2_SP3	Si[4]	C[4,6]	Si[4]	3:4:4:4:	3:3:4:	3:4:4:4:	C[4,6]-3:Si[4]-4:C-4:C-4:	C[5,6]-3:C[4,6]-3:Si[4]-4:	C[4,6]-3:Si[4]-4:C-4:C-4:	Si[4](C[4,6]C[4,6]C[5,6])(Si[4]C[4,6]CC)(CC3)2	C[4,6](C[5,6]C[5,5]N[5,6])(C[4,6]Si[4]C[6])(Si[4]Si[4]CC)	Si[4](C[4,6]C[4,6]C[6])(Si[4]C[4,6]CC)(CC3)2	Si[4](C[4,6]C[4,6]C[5,6])(Si[4]C[4,6]CC)(CC3)2{1|N<3>,2|C<3>}	C[4,6](C[5,6]C[5,5]N[5,6])(C[4,6]Si[4]C[6])(Si[4]Si[4]CC){1|Si<4>,1|C<3>,1|H<1>,1|N<3>,3|C<4>}	Si[4](C[4,6]C[4,6]C[6])(Si[4]C[4,6]CC)(CC3)2{1|H<1>,2|C<3>}	74.7361	0.000	1	74.7361	0.000	1	74.7361	0.000	1	74.7361	0.000	1	76.3242	5.044	2	75.8708	0.776	11
996	846	996	4:SP3_SP2_SP3	Si[4]	C[4,6]	Si[4]	3:4:4:4:	3:4:3:	3:4:4:4:	C[4,6]-3:Si[4]-4:C-4:C-4:	C[4,6]-3:Si[4]-4:C[6]-3:	C[4,6]-3:Si[4]-4:C-4:C-4:	Si[4](C[4,6]C[4,6]C[6])(Si[4]C[4,6]CC)(CC3)2	C[4,6](C[4,6]C[5,6]Si[4])(Si[4]Si[4]CC)(C[6]C[6]H)	Si[4](C[4,6]C[4,6]C[5,6])(Si[4]C[4,6]CC)(CC3)2	Si[4](C[4,6]C[4,6]C[6])(Si[4]C[4,6]CC)(CC3)2{1|H<1>,2|C<3>}	C[4,6](C[4,6]C[5,6]Si[4])(Si[4]Si[4]CC)(C[6]C[6]H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	Si[4](C[4,6]C[4,6]C[5,6])(Si[4]C[4,6]CC)(CC3)2{1|N<3>,2|C<3>}	77.9123	0.000	1	77.9123	0.000	1	77.9123	0.000	1	77.9123	0.000	1	76.3242	5.044	2	75.8708	0.776	11
996	852	880	0:SP3_SP3_SP3	Si[4,5]	P[3,4,5]	Si	3:3:2:4:	3:3:4:	4:4:4:4:	P[3,4,5]-3:P[4,4,5]-3:N-2:Si-4:	P[3,4,4]-3:P[3,4,5]-3:Si[4,5]-4:	Si[4,5]-4:C-4:C-4:C-4:	Si[4,5](P[3,4,5]P[3,4,4]P[3,4,5])(P[4,4,5]P[3,4,4]Si[4,5])(NC[5])(SiC3)	P[3,4,5](P[3,4,4]P[3,4,5]P[4,4,5])(P[3,4,5]P[3,4,4]Si[4,5])(Si[4,5]P[4,4,5]SiN)	Si(Si[4,5]P[3,4,5]P[4,4,5]N)(CC3)2(CH3)	Si[4,5](P[3,4,5]P[3,4,4]P[3,4,5])(P[4,4,5]P[3,4,4]Si[4,5])(NC[5])(SiC3){1|Si<4>,1|N<2>}	P[3,4,5](P[3,4,4]P[3,4,5]P[4,4,5])(P[3,4,5]P[3,4,4]Si[4,5])(Si[4,5]P[4,4,5]SiN){1|Si<4>,1|N<2>}	Si(Si[4,5]P[3,4,5]P[4,4,5]N)(CC3)2(CH3)	105.6850	2.663	2	105.6850	7.091	2	105.6850	7.091	2	105.6850	7.091	2	105.6850	7.091	2	105.6850	7.091	2
996	852	882	4:SP3_SP3_SP3	Si[4,5]	P[3,4,5]	P[4,4,5]	3:3:2:4:	3:3:4:	4:4:3:	P[3,4,5]-3:P[4,4,5]-3:N-2:Si-4:	P[3,4,4]-3:P[3,4,5]-3:Si[4,5]-4:	Si[4,5]-4:Si[4,5]-4:P[3,4,4]-3:	Si[4,5](P[3,4,5]P[3,4,4]P[3,4,5])(P[4,4,5]P[3,4,4]Si[4,5])(NC[5])(SiC3)	P[3,4,5](P[3,4,4]P[3,4,5]P[4,4,5])(P[3,4,5]P[3,4,4]Si[4,5])(Si[4,5]P[4,4,5]SiN)	P[4,4,5](Si[4,5]P[3,4,5]SiN)2(P[3,4,4]P[3,4,5]2)	Si[4,5](P[3,4,5]P[3,4,4]P[3,4,5])(P[4,4,5]P[3,4,4]Si[4,5])(NC[5])(SiC3){1|Si<4>,1|N<2>}	P[3,4,5](P[3,4,4]P[3,4,5]P[4,4,5])(P[3,4,5]P[3,4,4]Si[4,5])(Si[4,5]P[4,4,5]SiN){1|Si<4>,1|N<2>}	P[4,4,5](Si[4,5]P[3,4,5]SiN)2(P[3,4,4]P[3,4,5]2)	93.3722	1.205	2	93.3722	1.451	2	93.3722	1.451	2	93.3722	1.451	2	93.3722	1.451	2	93.3722	1.451	2
996	852	941	0:SP3_SP2_SP3	Si[4,5]	P[3,4,5]	N	3:3:2:4:	3:3:4:	4:3:	P[3,4,5]-3:P[4,4,5]-3:N-2:Si-4:	P[3,4,4]-3:P[3,4,5]-3:Si[4,5]-4:	Si[4,5]-4:C[5]-3:	Si[4,5](P[3,4,5]P[3,4,4]P[3,4,5])(P[4,4,5]P[3,4,4]Si[4,5])(NC[5])(SiC3)	P[3,4,5](P[3,4,4]P[3,4,5]P[4,4,5])(P[3,4,5]P[3,4,4]Si[4,5])(Si[4,5]P[4,4,5]SiN)	N(Si[4,5]P[3,4,5]P[4,4,5]Si)(C[5]N[5]2)	Si[4,5](P[3,4,5]P[3,4,4]P[3,4,5])(P[4,4,5]P[3,4,4]Si[4,5])(NC[5])(SiC3){1|Si<4>,1|N<2>}	P[3,4,5](P[3,4,4]P[3,4,5]P[4,4,5])(P[3,4,5]P[3,4,4]Si[4,5])(Si[4,5]P[4,4,5]SiN){1|Si<4>,1|N<2>}	N(Si[4,5]P[3,4,5]P[4,4,5]Si)(C[5]N[5]2)	119.2875	6.763	2	119.2875	45.745	2	119.2875	45.745	2	119.2875	45.745	2	119.2875	45.745	2	119.2875	45.745	2
996	856	996	6:SP3_SP2_SP3	Si[4,6]	N[6]	Si[4,3x6]	4:3:2:3:	4:3:4:	4:5:4:4:	Si[4,3x6]-4:C[6a]-3:O[4]-2:N[6]-3:	Si[4,6]-4:C[6]-3:C-4:	Si[4,6,6]-4:Si[4,4]-5:Si[4,6]-4:C[4x6]-4:	Si[4,6](Si[4,3x6]Si[4,6,6]Si[4,4]C[4x6])(C[6a]C[6,6a]C[6a])(O[4]Si[4,4])(N[6]C[6]C)	N[6](Si[4,6]Si[4,3x6]C[6a]O[4])(C[6]C[3x6]N)(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[4,6](Si[4,3x6]Si[4,6,6]Si[4,4]C[4x6])(C[6a]C[6,6a]C[6a])(O[4]Si[4,4])(N[6]C[6]C){1|Si<4>,1|Si<5>,1|C<4>,1|N<2>,1|O<2>,2|H<1>,2|N<3>,5|C<3>}	N[6](Si[4,6]Si[4,3x6]C[6a]O[4])(C[6]C[3x6]N)(CC3){1|Si<4>,1|Si<5>,1|C<4>,3|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>}	113.0670	0.000	1	113.0670	0.000	1	113.0670	0.000	1	113.0670	0.000	1	113.0670	0.000	1	113.0670	0.000	1
996	857	857	4:SP3_SP2_SP2	Si[4,4]	Ge[3x4]	Ge[3x4]	3:3:3:3:	4:4:4:	4:4:4:	Ge[3x4]-3:Ge[3x4]-3:C[6a]-3:C[6a]-3:	Si[4,4]-4:Si[4,4]-4:Si[4,4]-4:	Si[4,4]-4:Si[4,4]-4:Si[4,4]-4:	Si[4,4](Ge[3x4]Si[4,4]2)2(C[6a]C[6a]2)2	Ge[3x4](Si[4,4]Ge[3x4]C[6a]2)3	Ge[3x4](Si[4,4]Ge[3x4]C[6a]2)3	Si[4,4](Ge[3x4]Si[4,4]2)2(C[6a]C[6a]2)2{4|C<4>,8|C<3>}	Ge[3x4](Si[4,4]Ge[3x4]C[6a]2)3{12|C<3>}	Ge[3x4](Si[4,4]Ge[3x4]C[6a]2)3{12|C<3>}	69.7475	0.023	3	69.7475	0.001	3	69.7475	0.001	3	69.7475	0.001	3	69.7475	0.001	3	69.7475	0.001	3
996	859	859	4:SP3_SP1_SP1	Si[4,4,4x5,6]	Si[4,5,5]	Si[4,5,5]	3:3:2:2:	4:4:	4:4:	Si[4,5,5,6,6]-3:Si[4,5,5,6,6]-3:Si[4,5,5]-2:Si[4,5,5]-2:	Si[4,4,4x5,6]-4:Si[4,4x5,6,6]-4:	Si[4,4,4x5,6]-4:Si[4,4x5,6,6]-4:	Si[4,4,4x5,6](Si[4,5,5,6,6]Si[5,5,6,6]Si[4,6])2(Si[4,5,5]Si[4,4x5,6,6])2	Si[4,5,5](Si[4,4,4x5,6]Si[4,5,5,6,6]2Si[4,5,5])(Si[4,4x5,6,6]Si[5,5,6,6]2Si[4,5,5])	Si[4,5,5](Si[4,4,4x5,6]Si[4,5,5,6,6]2Si[4,5,5])(Si[4,4x5,6,6]Si[5,5,6,6]2Si[4,5,5])	Si[4,4,4x5,6](Si[4,5,5,6,6]Si[5,5,6,6]Si[4,6])2(Si[4,5,5]Si[4,4x5,6,6])2	Si[4,5,5](Si[4,4,4x5,6]Si[4,5,5,6,6]2Si[4,5,5])(Si[4,4x5,6,6]Si[5,5,6,6]2Si[4,5,5]){1|Si<2>}	Si[4,5,5](Si[4,4,4x5,6]Si[4,5,5,6,6]2Si[4,5,5])(Si[4,4x5,6,6]Si[5,5,6,6]2Si[4,5,5]){1|Si<2>}	64.5054	0.000	1	64.5054	0.000	1	64.5054	0.000	1	64.5054	0.000	1	64.5054	0.000	1	73.8322	316.954	4
996	859	859	4:SP3_SP1_SP1	Si[4,4,8x6]	Si[4,4x6]	Si[4,4x6]	2:2:2:2:	4:4:	4:4:	Si[4,4x6]-2:Si[4,4x6]-2:Si[4,4x6]-2:Si[4,4x6]-2:	Si[4,4,8x6]-4:Si[4,4,8x6]-4:	Si[4,4,8x6]-4:Si[4,4,8x6]-4:	Si[4,4,8x6](Si[4,4x6]Si[4,4,8x6])4	Si[4,4x6](Si[4,4,8x6]Si[4,4x6]3)2	Si[4,4x6](Si[4,4,8x6]Si[4,4x6]3)2	Si[4,4,8x6](Si[4,4x6]Si[4,4,8x6])4{2|Si<2>}	Si[4,4x6](Si[4,4,8x6]Si[4,4x6]3)2{1|Si<4>}	Si[4,4x6](Si[4,4,8x6]Si[4,4x6]3)2{1|Si<4>}	100.5280	0.000	1	100.5280	0.000	1	100.5280	0.000	1	100.5280	0.000	1	100.5280	0.000	1	73.8322	316.954	4
996	859	859	4:SP3_SP1_SP1	Si[4,4x5,6,6]	Si[4,5,5]	Si[4,5,5]	2:2:2:2:	4:4:	4:4:	Si[5,5,6,6]-2:Si[5,5,6,6]-2:Si[4,5,5]-2:Si[4,5,5]-2:	Si[4,4,4x5,6]-4:Si[4,4x5,6,6]-4:	Si[4,4,4x5,6]-4:Si[4,4x5,6,6]-4:	Si[4,4x5,6,6](Si[5,5,6,6]Si[4,5,5,6,6])2(Si[4,5,5]Si[4,4,4x5,6])2	Si[4,5,5](Si[4,4,4x5,6]Si[4,5,5,6,6]2Si[4,5,5])(Si[4,4x5,6,6]Si[5,5,6,6]2Si[4,5,5])	Si[4,5,5](Si[4,4,4x5,6]Si[4,5,5,6,6]2Si[4,5,5])(Si[4,4x5,6,6]Si[5,5,6,6]2Si[4,5,5])	Si[4,4x5,6,6](Si[5,5,6,6]Si[4,5,5,6,6])2(Si[4,5,5]Si[4,4,4x5,6])2{1|Si<2>}	Si[4,5,5](Si[4,4,4x5,6]Si[4,5,5,6,6]2Si[4,5,5])(Si[4,4x5,6,6]Si[5,5,6,6]2Si[4,5,5]){1|Si<2>}	Si[4,5,5](Si[4,4,4x5,6]Si[4,5,5,6,6]2Si[4,5,5])(Si[4,4x5,6,6]Si[5,5,6,6]2Si[4,5,5]){1|Si<2>}	64.7201	0.000	1	64.7201	0.000	1	64.7201	0.000	1	64.7201	0.000	1	64.7201	0.000	1	73.8322	316.954	4
996	859	859	4:SP3_SP1_SP1	Si[4,5]	Si[4]	Si[4]	2:2:4:4:	4:4:	4:4:	Si[4]-2:Si[4]-2:C[5]-4:C[5]-4:	Si[4,5]-4:Si[4,5]-4:	Si[4,5]-4:Si[4,5]-4:	Si[4,5](Si[4]Si[4,5])2(C[5]C[5]Si2)2	Si[4](Si[4,5]Si[4]C[5]2)2	Si[4](Si[4,5]Si[4]C[5]2)2	Si[4,5](Si[4]Si[4,5])2(C[5]C[5]Si2)2{2|C<4>,4|H<1>}	Si[4](Si[4,5]Si[4]C[5]2)2{8|Si<4>,4|C<4>}	Si[4](Si[4,5]Si[4]C[5]2)2{8|Si<4>,4|C<4>}	65.5752	0.000	1	65.5752	0.000	1	65.5752	0.000	1	65.5752	0.000	1	65.5752	0.000	1	73.8322	316.954	4
996	859	859	6:SP3_SP1_SP1	Si[4,4,8x6]	Si[4,4x6]	Si[4,4x6]	2:2:2:2:	4:4:	4:4:	Si[4,4x6]-2:Si[4,4x6]-2:Si[4,4x6]-2:Si[4,4x6]-2:	Si[4,4,8x6]-4:Si[4,4,8x6]-4:	Si[4,4,8x6]-4:Si[4,4,8x6]-4:	Si[4,4,8x6](Si[4,4x6]Si[4,4,8x6])4	Si[4,4x6](Si[4,4,8x6]Si[4,4x6]3)2	Si[4,4x6](Si[4,4,8x6]Si[4,4x6]3)2	Si[4,4,8x6](Si[4,4x6]Si[4,4,8x6])4{2|Si<2>}	Si[4,4x6](Si[4,4,8x6]Si[4,4x6]3)2{1|Si<4>}	Si[4,4x6](Si[4,4,8x6]Si[4,4x6]3)2{1|Si<4>}	82.0089	23.832	8	82.0089	567.966	8	82.0089	567.966	8	82.0089	567.966	8	82.0089	567.966	8	82.0089	567.966	8
996	859	937	5:SP3_SP1_SP1	Si[4,4x5,6,6]	Si[4,5,5]	Si[5,5,6,6]	2:2:2:2:	4:4:	4:3:	Si[5,5,6,6]-2:Si[5,5,6,6]-2:Si[4,5,5]-2:Si[4,5,5]-2:	Si[4,4,4x5,6]-4:Si[4,4x5,6,6]-4:	Si[4,4x5,6,6]-4:Si[4,5,5,6,6]-3:	Si[4,4x5,6,6](Si[5,5,6,6]Si[4,5,5,6,6])2(Si[4,5,5]Si[4,4,4x5,6])2	Si[4,5,5](Si[4,4,4x5,6]Si[4,5,5,6,6]2Si[4,5,5])(Si[4,4x5,6,6]Si[5,5,6,6]2Si[4,5,5])	Si[5,5,6,6](Si[4,4x5,6,6]Si[5,5,6,6]Si[4,5,5]2)(Si[4,5,5,6,6]Si[4,4,4x5,6]Si[4,6])	Si[4,4x5,6,6](Si[5,5,6,6]Si[4,5,5,6,6])2(Si[4,5,5]Si[4,4,4x5,6])2{1|Si<2>}	Si[4,5,5](Si[4,4,4x5,6]Si[4,5,5,6,6]2Si[4,5,5])(Si[4,4x5,6,6]Si[5,5,6,6]2Si[4,5,5]){1|Si<2>}	Si[5,5,6,6](Si[4,4x5,6,6]Si[5,5,6,6]Si[4,5,5]2)(Si[4,5,5,6,6]Si[4,4,4x5,6]Si[4,6]){1|Si<3>}	85.3027	27.694	4	85.3027	766.943	4	85.3027	766.943	4	85.3027	766.943	4	85.3027	766.943	4	85.3027	766.943	4
996	866	866	4:SP3_SP2_SP2	Si[4,5]	S[4]	S[4]	4:4:2:2:	4:3:	4:3:	C[5]-4:C[5]-4:S[4]-2:S[4]-2:	Si[4,5]-4:C[4]-3:	Si[4,5]-4:C[4]-3:	Si[4,5](C[5]C[5]Si2)2(S[4]C[4])2	S[4](Si[4,5]C[5]2S[4])(C[4]S[4]N)	S[4](Si[4,5]C[5]2S[4])(C[4]S[4]N)	Si[4,5](C[5]C[5]Si2)2(S[4]C[4])2{1|N<2>,4|H<1>}	S[4](Si[4,5]C[5]2S[4])(C[4]S[4]N){4|Si<4>,2|C<4>}	S[4](Si[4,5]C[5]2S[4])(C[4]S[4]N){4|Si<4>,2|C<4>}	84.1225	0.000	1	84.1225	0.000	1	84.1225	0.000	1	84.1225	0.000	1	84.1225	0.000	1	84.1225	0.000	1
996	872	880	0:SP3_SP3_SP3	Si[4]	Si[3,4]	Si	4:4:4:4:	4:4:4:4:	4:4:4:4:	Si[3,4]-4:Si[4]-4:Si-4:Si-4:	Si[3]-4:Si[3]-4:Si[4]-4:Si[4]-4:	Si[4]-4:C-4:C-4:C-4:	Si[4](Si[3,4]Si[3]2Si[4])(Si[4]Si[4]CC)(SiC3)2	Si[3,4](Si[3]Si[3]Si2)2(Si[4]Si[4]Si2)2	Si(Si[4]Si[3,4]Si[4]Si)(CH3)3	Si[4](Si[3,4]Si[3]2Si[4])(Si[4]Si[4]CC)(SiC3)2{6|Si<4>}	Si[3,4](Si[3]Si[3]Si2)2(Si[4]Si[4]Si2)2{2|C<4>}	Si(Si[4]Si[3,4]Si[4]Si)(CH3)3	124.1582	7.971	4	124.1582	63.538	4	124.1582	63.538	4	124.1582	63.538	4	124.1582	63.538	4	124.1582	63.538	4
996	872	956	0:SP3_SP2_SP3	Si[4,6]	Si[3,4,6]	N	4:4:3:1:	4:4:4:3:	4:4:4:	Si[3,4,6]-4:C[4,5,6]-4:N-3:Cl-1:	C[3,4,5]-4:C[3,5,6]-4:Si[4,6]-4:N-3:	Si[4,6]-4:Si-4:Si-4:	Si[4,6](Si[3,4,6]C[3,4,5]C[3,5,6]N)(C[4,5,6]C[3,4,5]C[5,6]C)(NSi2)(Cl)	Si[3,4,6](C[3,4,5]C[3,5,6]C[4,5,6]C)(C[3,5,6]C[3,4,5]C[5,6]C)(Si[4,6]C[4,5,6]ClN)(NSi2)	N(Si[4,6]Si[3,4,6]C[4,5,6]Cl)(SiC3)2	Si[4,6](Si[3,4,6]C[3,4,5]C[3,5,6]N)(C[4,5,6]C[3,4,5]C[5,6]C)(NSi2)(Cl){1|C<3>,3|C<4>}	Si[3,4,6](C[3,4,5]C[3,5,6]C[4,5,6]C)(C[3,5,6]C[3,4,5]C[5,6]C)(Si[4,6]C[4,5,6]ClN)(NSi2){1|C<3>,2|C<4>}	N(Si[4,6]Si[3,4,6]C[4,5,6]Cl)(SiC3)2	129.6340	0.000	1	129.6340	0.000	1	129.6340	0.000	1	129.6340	0.000	1	129.6340	0.000	1	129.6340	0.000	1
996	872	996	4:SP3_SP3_SP3	Si[4]	Si[3,4]	Si[4]	4:4:4:4:	4:4:4:4:	4:4:4:4:	Si[3,4]-4:Si[4]-4:Si-4:Si-4:	Si[3]-4:Si[3]-4:Si[4]-4:Si[4]-4:	Si[4]-4:Si[4]-4:C-4:C-4:	Si[4](Si[3,4]Si[3]2Si[4])(Si[4]Si[4]CC)(SiC3)2	Si[3,4](Si[3]Si[3]Si2)2(Si[4]Si[4]Si2)2	Si[4](Si[4]Si[3,4]Si2)2(CH3)2	Si[4](Si[3,4]Si[3]2Si[4])(Si[4]Si[4]CC)(SiC3)2{6|Si<4>}	Si[3,4](Si[3]Si[3]Si2)2(Si[4]Si[4]Si2)2{2|C<4>}	Si[4](Si[4]Si[3,4]Si2)2(CH3)2{2|Si<4>}	85.8747	0.207	2	85.8747	0.043	2	85.8747	0.043	2	85.8747	0.043	2	85.8747	0.043	2	85.8747	0.043	2
996	880	880	0:SP3_SP3_SP3	Si[4]	Si	Si	3:2:4:4:	4:4:4:4:	4:4:4:4:	Si[4]-3:Se[4]-2:Si-4:Si-4:	Si[4]-4:C-4:C-4:C-4:	Si[4]-4:C-4:C-4:C-4:	Si[4](Si[4]Si[4]Si)(Se[4]Si[4])(SiC3)2	Si(Si[4]Se[4]Si[4]Si)(CC3)2(CH3)	Si(Si[4]Se[4]Si[4]Si)(CC3)2(CH3)	Si[4](Si[4]Si[4]Si)(Se[4]Si[4])(SiC3)2{1|Si<4>}	Si(Si[4]Se[4]Si[4]Si)(CC3)2(CH3)	Si(Si[4]Se[4]Si[4]Si)(CC3)2(CH3)	113.7280	0.000	1	113.7280	0.000	1	113.7280	0.000	1	113.7280	0.000	1	109.6954	15.801	21	109.6954	15.801	21
996	880	880	0:SP3_SP3_SP3	Si[4]	Si	Si	3:3:4:4:	4:4:4:4:	4:4:4:4:	N[4]-3:C[4]-3:Si-4:Si-4:	Si[4]-4:C-4:C-4:C-4:	Si[4]-4:C-4:C-4:C-4:	Si[4](N[4]C[6a]C[4])(C[4]C[4]Si)(SiC3)2	Si(Si[4]C[4]N[4]Si)(CH3)3	Si(Si[4]C[4]N[4]Si)(CH3)3	Si[4](N[4]C[6a]C[4])(C[4]C[4]Si)(SiC3)2{1|N<2>,2|C<3>}	Si(Si[4]C[4]N[4]Si)(CH3)3	Si(Si[4]C[4]N[4]Si)(CH3)3	111.7640	0.000	1	109.7650	7.992	2	109.7650	7.992	2	112.6830	29.540	3	109.6954	15.801	21	109.6954	15.801	21
996	880	880	0:SP3_SP3_SP3	Si[4]	Si	Si	3:3:4:4:	4:4:4:4:	4:4:4:4:	N[4]-3:C[4]-3:Si-4:Si-4:	Si[4]-4:C-4:C-4:C-4:	Si[4]-4:C-4:C-4:C-4:	Si[4](N[4]C[6a]C[4])(C[4]C[4]Si)(SiC3)2	Si(Si[4]C[4]N[4]Si)(CH3)3	Si(Si[4]C[4]N[4]Si)(CH3)3	Si[4](N[4]C[6a]C[4])(C[4]C[4]Si)(SiC3)2{1|N<3>,2|C<3>}	Si(Si[4]C[4]N[4]Si)(CH3)3	Si(Si[4]C[4]N[4]Si)(CH3)3	107.7660	0.000	1	109.7650	7.992	2	109.7650	7.992	2	112.6830	29.540	3	109.6954	15.801	21	109.6954	15.801	21
996	880	880	0:SP3_SP3_SP3	Si[4]	Si	Si	3:3:4:4:	4:4:4:4:	4:4:4:4:	Si[4]-3:C[4]-3:Si-4:Si-4:	Si[4]-4:C-4:C-4:C-4:	Si[4]-4:C-4:C-4:C-4:	Si[4](Si[4]Si[4]Si)(C[4]Si[4]N)(SiC3)2	Si(Si[4]Si[4]C[4]Si)(CC3)2(CH3)	Si(Si[4]Si[4]C[4]Si)(CC3)2(CH3)	Si[4](Si[4]Si[4]Si)(C[4]Si[4]N)(SiC3)2{1|Si<4>}	Si(Si[4]Si[4]C[4]Si)(CC3)2(CH3)	Si(Si[4]Si[4]C[4]Si)(CC3)2(CH3)	118.5190	0.000	1	118.5190	0.000	1	118.5190	0.000	1	112.6830	29.540	3	109.6954	15.801	21	109.6954	15.801	21
996	880	880	0:SP3_SP3_SP3	Si[4]	Si	Si	4:3:4:4:	4:4:4:4:	4:4:4:4:	Ge[4,6]-4:C[4]-3:Si-4:Si-4:	Si[4]-4:C-4:C-4:C-4:	Si[4]-4:C-4:C-4:C-4:	Si[4](Ge[4,6]Si[6]C[4]C[6])(C[4]C[4]H)(SiC3)2	Si(Si[4]Ge[4,6]C[4]Si)(CH3)3	Si(Si[4]Ge[4,6]C[4]Si)(CH3)3	Si[4](Ge[4,6]Si[6]C[4]C[6])(C[4]C[4]H)(SiC3)2{1|Si<4>,2|C<4>,3|C<3>}	Si(Si[4]Ge[4,6]C[4]Si)(CH3)3	Si(Si[4]Ge[4,6]C[4]Si)(CH3)3	111.9680	0.000	1	111.9680	0.000	1	111.9680	0.000	1	108.7053	4.580	7	109.6954	15.801	21	109.6954	15.801	21
996	880	880	0:SP3_SP3_SP3	Si[4]	Si	Si	4:3:4:4:	4:4:4:4:	4:4:4:4:	Ge[4]-4:C[4]-3:Si-4:Si-4:	Si[4]-4:C-4:C-4:C-4:	Si[4]-4:C-4:C-4:C-4:	Si[4](Ge[4]C[4]Si2)(C[4]C[4]H)(SiC3)2	Si(Si[4]Ge[4]C[4]Si)(CH3)3	Si(Si[4]Ge[4]C[4]Si)(CH3)3	Si[4](Ge[4]C[4]Si2)(C[4]C[4]H)(SiC3)2{1|C<3>}	Si(Si[4]Ge[4]C[4]Si)(CH3)3	Si(Si[4]Ge[4]C[4]Si)(CH3)3	105.9790	0.000	1	105.9790	0.000	1	108.4060	11.781	2	108.7053	4.580	7	109.6954	15.801	21	109.6954	15.801	21
996	880	880	0:SP3_SP3_SP3	Si[4]	Si	Si	4:3:4:4:	4:4:4:4:	4:4:4:4:	Ge[4]-4:C[4]-3:Si-4:Si-4:	Si[4]-4:C-4:C-4:C-4:	Si[4]-4:C-4:C-4:C-4:	Si[4](Ge[4]C[4]SiC)(C[4]C[4]H)(SiC3)2	Si(Si[4]Ge[4]C[4]Si)(CH3)3	Si(Si[4]Ge[4]C[4]Si)(CH3)3	Si[4](Ge[4]C[4]SiC)(C[4]C[4]H)(SiC3)2{1|C<3>}	Si(Si[4]Ge[4]C[4]Si)(CH3)3	Si(Si[4]Ge[4]C[4]Si)(CH3)3	110.8330	0.000	1	110.8330	0.000	1	108.4060	11.781	2	108.7053	4.580	7	109.6954	15.801	21	109.6954	15.801	21
996	880	880	0:SP3_SP3_SP3	Si[4]	Si	Si	4:3:4:4:	4:4:4:4:	4:4:4:4:	Si[4]-4:Ge[4]-3:Si-4:Si-4:	Si[4]-4:C-4:C-4:C-4:	Si[4]-4:C-4:C-4:C-4:	Si[4](Si[4]Si[4]CC)(Ge[4]Si[4]Ti)(SiC3)2	Si(Si[4]Ge[4]Si[4]Si)(CH3)3	Si(Si[4]Ge[4]Si[4]Si)(CH3)3	Si[4](Si[4]Si[4]CC)(Ge[4]Si[4]Ti)(SiC3)2{2|Si<4>}	Si(Si[4]Ge[4]Si[4]Si)(CH3)3	Si(Si[4]Ge[4]Si[4]Si)(CH3)3	108.0392	1.017	4	108.0392	1.034	4	108.0392	1.034	4	108.7053	4.580	7	109.6954	15.801	21	109.6954	15.801	21
996	880	880	0:SP3_SP3_SP3	Si[4]	Si	Si	4:4:4:4:	4:4:4:4:	4:4:4:4:	C[4]-4:C[4]-4:Si-4:Si-4:	Si[4]-4:C-4:C-4:C-4:	Si[4]-4:C-4:C-4:C-4:	Si[4](C[4]Se[4]HH)2(SiC3)2	Si(Si[4]C[4]2Si)(CH3)3	Si(Si[4]C[4]2Si)(CH3)3	Si[4](C[4]Se[4]HH)2(SiC3)2	Si(Si[4]C[4]2Si)(CH3)3	Si(Si[4]C[4]2Si)(CH3)3	115.3260	0.000	1	115.3260	0.000	1	111.2860	12.317	3	109.0890	19.543	10	109.6954	15.801	21	109.6954	15.801	21
996	880	880	0:SP3_SP3_SP3	Si[4]	Si	Si	4:4:4:4:	4:4:4:4:	4:4:4:4:	C[4]-4:C[4]-4:Si-4:Si-4:	Si[4]-4:C-4:C-4:C-4:	Si[4]-4:C-4:C-4:C-4:	Si[4](C[4]Si[4]HH)2(SiC3)2	Si(Si[4]C[4]2Si)(CH3)3	Si(Si[4]C[4]2Si)(CH3)3	Si[4](C[4]Si[4]HH)2(SiC3)2{2|C<4>}	Si(Si[4]C[4]2Si)(CH3)3	Si(Si[4]C[4]2Si)(CH3)3	109.2660	0.390	2	109.2660	0.152	2	111.2860	12.317	3	109.0890	19.543	10	109.6954	15.801	21	109.6954	15.801	21
996	880	880	0:SP3_SP3_SP3	Si[4]	Si	Si	4:4:4:4:	4:4:4:4:	4:4:4:4:	Ge[4,4]-4:Si[4]-4:Si-4:Si-4:	Si[4]-4:C-4:C-4:C-4:	Si[4]-4:C-4:C-4:C-4:	Si[4](Ge[4,4]Si[4]2C[4])(Si[4]Si[4]Si2)(SiC3)2	Si(Si[4]Ge[4,4]Si[4]Si)(CH3)3	Si(Si[4]Ge[4,4]Si[4]Si)(CH3)3	Si[4](Ge[4,4]Si[4]2C[4])(Si[4]Si[4]Si2)(SiC3)2{2|C<3>,4|C<4>}	Si(Si[4]Ge[4,4]Si[4]Si)(CH3)3	Si(Si[4]Ge[4,4]Si[4]Si)(CH3)3	105.1460	0.000	1	105.1460	0.000	1	105.1460	0.000	1	109.0890	19.543	10	109.6954	15.801	21	109.6954	15.801	21
996	880	880	0:SP3_SP3_SP3	Si[4]	Si	Si	4:4:4:4:	4:4:4:4:	4:4:4:4:	Si[3,4]-4:Si[4]-4:Si-4:Si-4:	Si[4]-4:C-4:C-4:C-4:	Si[4]-4:C-4:C-4:C-4:	Si[4](Si[3,4]Si[3]2Si[4])(Si[4]Si[4]CC)(SiC3)2	Si(Si[4]Si[3,4]Si[4]Si)(CH3)3	Si(Si[4]Si[3,4]Si[4]Si)(CH3)3	Si[4](Si[3,4]Si[3]2Si[4])(Si[4]Si[4]CC)(SiC3)2{6|Si<4>}	Si(Si[4]Si[3,4]Si[4]Si)(CH3)3	Si(Si[4]Si[3,4]Si[4]Si)(CH3)3	103.7560	2.721	2	103.7560	7.404	2	103.7560	7.404	2	109.0890	19.543	10	109.6954	15.801	21	109.6954	15.801	21
996	880	880	0:SP3_SP3_SP3	Si[4]	Si	Si	4:4:4:4:	4:4:4:4:	4:4:4:4:	Si[4]-4:Si[4]-4:Si-4:Si-4:	Si[4]-4:C-4:C-4:C-4:	Si[4]-4:C-4:C-4:C-4:	Si[4](Si[4]Ge[4,4]Si2)(Si[4]Ge[4,4]CC)(SiC3)2	Si(Si[4]Si[4]2Si)(CH3)3	Si(Si[4]Si[4]2Si)(CH3)3	Si[4](Si[4]Ge[4,4]Si2)(Si[4]Ge[4,4]CC)(SiC3)2{1|Si<4>,1|C<3>}	Si(Si[4]Si[4]2Si)(CH3)3	Si(Si[4]Si[4]2Si)(CH3)3	109.5240	0.000	1	109.5240	0.000	1	111.0935	13.622	4	109.0890	19.543	10	109.6954	15.801	21	109.6954	15.801	21
996	880	880	0:SP3_SP3_SP3	Si[4]	Si	Si	4:4:4:4:	4:4:4:4:	4:4:4:4:	Si[4]-4:Si[4]-4:Si-4:Si-4:	Si[4]-4:C-4:C-4:C-4:	Si[4]-4:C-4:C-4:C-4:	Si[4](Si[4]Si[4]BrSi)2(SiC3)2	Si(Si[4]Si[4]2Si)(CC3)(CH3)2	Si(Si[4]Si[4]2Si)(CC3)(CH3)2	Si[4](Si[4]Si[4]BrSi)2(SiC3)2{2|Si<4>}	Si(Si[4]Si[4]2Si)(CC3)(CH3)2	Si(Si[4]Si[4]2Si)(CC3)(CH3)2	116.5470	0.000	1	116.5470	0.000	1	111.0935	13.622	4	109.0890	19.543	10	109.6954	15.801	21	109.6954	15.801	21
996	880	880	0:SP3_SP3_SP3	Si[4]	Si	Si	4:4:4:4:	4:4:4:4:	4:4:4:4:	Si[4]-4:Si[4]-4:Si-4:Si-4:	Si[4]-4:C-4:C-4:C-4:	Si[4]-4:C-4:C-4:C-4:	Si[4](Si[4]Si[4]CC)2(SiC3)2	Si(Si[4]Si[4]2Si)(CH3)3	Si(Si[4]Si[4]2Si)(CH3)3	Si[4](Si[4]Si[4]CC)2(SiC3)2{1|Si<4>}	Si(Si[4]Si[4]2Si)(CH3)3	Si(Si[4]Si[4]2Si)(CH3)3	108.4030	0.000	1	109.1515	1.121	2	111.0935	13.622	4	109.0890	19.543	10	109.6954	15.801	21	109.6954	15.801	21
996	880	880	0:SP3_SP3_SP3	Si[4]	Si	Si	4:4:4:4:	4:4:4:4:	4:4:4:4:	Si[4]-4:Si[4]-4:Si-4:Si-4:	Si[4]-4:C-4:C-4:C-4:	Si[4]-4:C-4:C-4:C-4:	Si[4](Si[4]Si[4]CC)2(SiC3)2	Si(Si[4]Si[4]2Si)(CH3)3	Si(Si[4]Si[4]2Si)(CH3)3	Si[4](Si[4]Si[4]CC)2(SiC3)2{2|Si<4>}	Si(Si[4]Si[4]2Si)(CH3)3	Si(Si[4]Si[4]2Si)(CH3)3	109.9000	0.000	1	109.1515	1.121	2	111.0935	13.622	4	109.0890	19.543	10	109.6954	15.801	21	109.6954	15.801	21
996	880	882	0:SP3_SP3_SP3	Si[4,5]	Si	P[4,4,5]	3:3:2:4:	4:4:4:4:	4:4:3:	P[3,4,5]-3:P[4,4,5]-3:N-2:Si-4:	Si[4,5]-4:C-4:C-4:C-4:	Si[4,5]-4:Si[4,5]-4:P[3,4,4]-3:	Si[4,5](P[3,4,5]P[3,4,4]P[3,4,5])(P[4,4,5]P[3,4,4]Si[4,5])(NC[5])(SiC3)	Si(Si[4,5]P[3,4,5]P[4,4,5]N)(CC3)2(CH3)	P[4,4,5](Si[4,5]P[3,4,5]SiN)2(P[3,4,4]P[3,4,5]2)	Si[4,5](P[3,4,5]P[3,4,4]P[3,4,5])(P[4,4,5]P[3,4,4]Si[4,5])(NC[5])(SiC3){1|Si<4>,1|N<2>}	Si(Si[4,5]P[3,4,5]P[4,4,5]N)(CC3)2(CH3)	P[4,4,5](Si[4,5]P[3,4,5]SiN)2(P[3,4,4]P[3,4,5]2)	107.0420	1.556	2	107.0420	2.420	2	107.0420	2.420	2	107.0420	2.420	2	107.0420	2.420	2	107.0420	2.420	2
996	880	893	0:SP3_SP3_SP3	Si[4]	Si	O	4:3:4:2:	4:4:4:4:	4:4:	C[4]-4:C[4]-3:Si-4:O-2:	Si[4]-4:C-4:C-4:C-4:	Si[4]-4:Si-4:	Si[4](C[4]C[3x6]C[4]Si)(C[4]C[4]C)(SiC3)(OSi)	Si(Si[4]C[4]2O)(CH3)3	O(Si[4]C[4]2Si)(SiC3)	Si[4](C[4]C[3x6]C[4]Si)(C[4]C[4]C)(SiC3)(OSi){1|H<1>,3|C<4>}	Si(Si[4]C[4]2O)(CH3)3	O(Si[4]C[4]2Si)(SiC3)	103.8320	0.000	1	103.8320	0.000	1	103.8320	0.000	1	103.8320	0.000	1	103.8320	0.000	1	103.8320	0.000	1
996	880	907	0:SP3_SP3_SP3	Si[4,5]	Si	Ge[4,5]	4:4:2:4:	4:4:4:4:	4:4:4:4:	Ge[4,5]-4:Si[5]-4:O[4]-2:Si-4:	Si[4,5]-4:C-4:C-4:C-4:	Si[4,5]-4:C[4]-4:Si[5]-4:Si-4:	Si[4,5](Ge[4,5]Si[5]C[4]Si)(Si[5]Si[5]CC)(O[4]C[4])(SiC3)	Si(Si[4,5]Ge[4,5]Si[5]O[4])(CH3)3	Ge[4,5](Si[4,5]Si[5]O[4]Si)(C[4]C[6a]2O[4])(Si[5]Si[5]Si2)(SiC3)	Si[4,5](Ge[4,5]Si[5]C[4]Si)(Si[5]Si[5]CC)(O[4]C[4])(SiC3){2|Si<4>,2|C<3>,2|C<4>}	Si(Si[4,5]Ge[4,5]Si[5]O[4])(CH3)3	Ge[4,5](Si[4,5]Si[5]O[4]Si)(C[4]C[6a]2O[4])(Si[5]Si[5]Si2)(SiC3){4|C<3>,4|C<4>}	126.4910	0.000	1	126.4910	0.000	1	126.4910	0.000	1	126.4910	0.000	1	127.1517	4.220	3	122.5944	29.191	11
996	880	907	0:SP3_SP3_SP3	Si[4,5]	Si	Ge[4,5]	4:4:3:4:	4:4:4:4:	4:4:3:4:	Ge[4,5]-4:Si[5]-4:C[4]-3:Si-4:	Si[4,5]-4:C-4:C-4:C-4:	Si[4,5]-4:Si[5]-4:C[4]-3:Si-4:	Si[4,5](Ge[4,5]Si[5]C[4]Si)(Si[5]Si[5]CC)(C[4]C[4]C)(SiC3)	Si(Si[4,5]Ge[4,5]Si[5]C[4])(CH3)3	Ge[4,5](Si[4,5]Si[5]C[4]Si)(Si[5]Si[5]Si2)(C[4]C[4]Si)(SiC3)	Si[4,5](Ge[4,5]Si[5]C[4]Si)(Si[5]Si[5]CC)(C[4]C[4]C)(SiC3){3|Si<4>,2|C<4>}	Si(Si[4,5]Ge[4,5]Si[5]C[4])(CH3)3	Ge[4,5](Si[4,5]Si[5]C[4]Si)(Si[5]Si[5]Si2)(C[4]C[4]Si)(SiC3){1|C<2>,4|C<4>}	129.4550	0.000	1	129.4550	0.000	1	129.4550	0.000	1	129.4550	0.000	1	127.1517	4.220	3	122.5944	29.191	11
996	880	907	0:SP3_SP3_SP3	Si[4,5]	Si	Ge[4,5]	4:4:4:4:	4:4:4:4:	4:4:4:4:	Ge[4,5]-4:Si[4,5]-4:Si[5]-4:Si-4:	Si[4,5]-4:C-4:C-4:C-4:	Ge[4,5]-4:Si[4,5]-4:Si[5]-4:Si-4:	Si[4,5](Ge[4,5]Ge[4,5]Si[5]Si)(Si[4,5]Ge[4,5]Si[5]Si)(Si[5]Si[5]CC)(SiC3)	Si(Si[4,5]Ge[4,5]Si[4,5]Si[5])(CH3)3	Ge[4,5](Ge[4,5]Si[4,5]Si[5]Si)(Si[4,5]Si[4,5]Si[5]Si)(Si[5]Si[5]Si2)(SiC3)	Si[4,5](Ge[4,5]Ge[4,5]Si[5]Si)(Si[4,5]Ge[4,5]Si[5]Si)(Si[5]Si[5]CC)(SiC3){5|Si<4>,4|C<4>}	Si(Si[4,5]Ge[4,5]Si[4,5]Si[5])(CH3)3	Ge[4,5](Ge[4,5]Si[4,5]Si[5]Si)(Si[4,5]Si[4,5]Si[5]Si)(Si[5]Si[5]Si2)(SiC3){5|Si<4>,4|C<4>}	125.5090	0.000	1	125.5090	0.000	1	125.5090	0.000	1	125.5090	0.000	1	127.1517	4.220	3	122.5944	29.191	11
996	880	907	0:SP3_SP3_SP3	Si[4]	Si	Ge[4,4]	4:4:4:4:	4:4:4:4:	4:3:4:4:	Ge[4,4]-4:Si[4]-4:Si-4:Si-4:	Si[4]-4:C-4:C-4:C-4:	Si[4]-4:C[4]-3:Si[4]-4:Si[4]-4:	Si[4](Ge[4,4]Si[4]2C[4])(Si[4]Si[4]Si2)(SiC3)2	Si(Si[4]Ge[4,4]Si[4]Si)(CH3)3	Ge[4,4](Si[4]Si[4]Si2)(C[4]C[6a]C[4])(Si[4]Si[4]CC)(Si[4]C[4]CC)	Si[4](Ge[4,4]Si[4]2C[4])(Si[4]Si[4]Si2)(SiC3)2{2|C<3>,4|C<4>}	Si(Si[4]Ge[4,4]Si[4]Si)(CH3)3	Ge[4,4](Si[4]Si[4]Si2)(C[4]C[6a]C[4])(Si[4]Si[4]CC)(Si[4]C[4]CC){2|Si<4>,3|C<3>}	115.5320	7.655	2	115.5320	58.601	2	115.5320	58.601	2	115.5320	58.601	2	115.5320	58.601	2	122.5944	29.191	11
996	880	907	0:SP3_SP3_SP3	Si[4]	Si	Ge[4,6]	4:3:4:4:	4:4:4:4:	3:3:4:4:	Ge[4,6]-4:C[4]-3:Si-4:Si-4:	Si[4]-4:C-4:C-4:C-4:	C[4]-3:C[6]-3:Si[4]-4:Si[6]-4:	Si[4](Ge[4,6]Si[6]C[4]C[6])(C[4]C[4]H)(SiC3)2	Si(Si[4]Ge[4,6]C[4]Si)(CH3)3	Ge[4,6](C[4]C[6a]C[4])(C[6]C[6a]C[6])(Si[4]C[4]Si2)(Si[6]Si[6]CC)	Si[4](Ge[4,6]Si[6]C[4]C[6])(C[4]C[4]H)(SiC3)2{1|Si<4>,2|C<4>,3|C<3>}	Si(Si[4]Ge[4,6]C[4]Si)(CH3)3	Ge[4,6](C[4]C[6a]C[4])(C[6]C[6a]C[6])(Si[4]C[4]Si2)(Si[6]Si[6]CC){1|Si<4>,2|C<4>,2|H<1>,4|C<3>}	121.0690	1.735	2	121.0690	3.011	2	121.0690	3.011	2	121.0690	3.011	2	121.0690	3.011	2	122.5944	29.191	11
996	880	907	0:SP3_SP3_SP3	Si[4]	Si	Ge[4]	4:3:4:4:	4:4:4:4:	3:4:3:4:	Ge[4]-4:C[4]-3:Si-4:Si-4:	Si[4]-4:C-4:C-4:C-4:	C[4]-3:Si[4]-4:C-3:Si-4:	Si[4](Ge[4]C[4]SiC)(C[4]C[4]H)(SiC3)2	Si(Si[4]Ge[4]C[4]Si)(CH3)3	Ge[4](C[4]C[6a]C[4])(Si[4]C[4]Si2)(CC[6a]C)(SiC3)	Si[4](Ge[4]C[4]SiC)(C[4]C[4]H)(SiC3)2{1|C<3>}	Si(Si[4]Ge[4]C[4]Si)(CH3)3	Ge[4](C[4]C[6a]C[4])(Si[4]C[4]Si2)(CC[6a]C)(SiC3){1|H<1>,2|C<3>}	122.1365	5.382	2	122.1365	28.964	2	122.1365	28.964	2	122.1365	28.964	2	123.4702	17.358	4	122.5944	29.191	11
996	880	907	0:SP3_SP3_SP3	Si[4]	Si	Ge[4]	4:3:4:4:	4:4:4:4:	3:4:4:4:	Ge[4]-4:C[4]-3:Si-4:Si-4:	Si[4]-4:C-4:C-4:C-4:	C[4]-3:Si[4]-4:Si-4:Si-4:	Si[4](Ge[4]C[4]Si2)(C[4]C[4]H)(SiC3)2	Si(Si[4]Ge[4]C[4]Si)(CH3)3	Ge[4](C[4]C[6a]C[4])(Si[4]C[4]Si2)(SiSi3)(SiC3)	Si[4](Ge[4]C[4]Si2)(C[4]C[4]H)(SiC3)2{1|C<3>}	Si(Si[4]Ge[4]C[4]Si)(CH3)3	Ge[4](C[4]C[6a]C[4])(Si[4]C[4]Si2)(SiSi3)(SiC3){1|H<1>,2|C<3>}	124.8040	3.999	2	124.8040	15.995	2	124.8040	15.995	2	124.8040	15.995	2	123.4702	17.358	4	122.5944	29.191	11
996	880	924	0:SP3_SP-NON_SP3	Si[4]	Si	Br	4:4:4:1:	4:4:4:4:	4:	Si[4]-4:Si[4]-4:Si-4:Br-1:	Si[4]-4:C-4:C-4:C-4:	Si[4]-4:	Si[4](Si[4]Si[4]Si2)2(SiC3)(Br)	Si(Si[4]Si[4]2Br)(CC3)(CH3)2	Br(Si[4]Si[4]2Si)	Si[4](Si[4]Si[4]Si2)2(SiC3)(Br){1|Br<1>,1|Si<4>}	Si(Si[4]Si[4]2Br)(CC3)(CH3)2	Br(Si[4]Si[4]2Si)	96.0081	0.000	1	96.0081	0.000	1	96.0081	0.000	1	96.0081	0.000	1	96.0081	0.000	1	96.0081	0.000	1
996	880	930	0:SP3_SP2_SP3	Si[4]	Si	C	3:3:3:4:	4:4:4:4:	4:3:3:	Si[4]-3:C[4]-3:C-3:Si-4:	Si[4]-4:C-4:C-4:C-4:	Si[4]-4:C[6a]-3:C-3:	Si[4](Si[4]C[4]Si)(C[4]C[4]H)(CC[6a]C)(SiC3)	Si(Si[4]Si[4]C[4]C)(CC3)2(CH3)	C(Si[4]Si[4]C[4]Si)(C[6a]C[6a]2)(CSiH)	Si[4](Si[4]C[4]Si)(C[4]C[4]H)(CC[6a]C)(SiC3){1|C<3>}	Si(Si[4]Si[4]C[4]C)(CC3)2(CH3)	C(Si[4]Si[4]C[4]Si)(C[6a]C[6a]2)(CSiH)	115.9220	0.000	1	115.9220	0.000	1	115.9220	0.000	1	115.9220	0.000	1	115.9220	0.000	1	115.9220	0.000	1
996	880	941	0:SP3_SP2_SP3	Si[4,5]	Si	N	3:3:2:4:	4:4:4:4:	4:3:	P[3,4,5]-3:P[4,4,5]-3:N-2:Si-4:	Si[4,5]-4:C-4:C-4:C-4:	Si[4,5]-4:C[5]-3:	Si[4,5](P[3,4,5]P[3,4,4]P[3,4,5])(P[4,4,5]P[3,4,4]Si[4,5])(NC[5])(SiC3)	Si(Si[4,5]P[3,4,5]P[4,4,5]N)(CC3)2(CH3)	N(Si[4,5]P[3,4,5]P[4,4,5]Si)(C[5]N[5]2)	Si[4,5](P[3,4,5]P[3,4,4]P[3,4,5])(P[4,4,5]P[3,4,4]Si[4,5])(NC[5])(SiC3){1|Si<4>,1|N<2>}	Si(Si[4,5]P[3,4,5]P[4,4,5]N)(CC3)2(CH3)	N(Si[4,5]P[3,4,5]P[4,4,5]Si)(C[5]N[5]2)	108.4890	1.175	2	108.4890	1.381	2	108.4890	1.381	2	108.4890	1.381	2	108.4890	1.381	2	112.2098	26.605	5
996	880	941	0:SP3_SP2_SP3	Si[4]	Si	N	2:2:4:2:	4:4:4:4:	4:3:	O[4]-2:O[4]-2:Si-4:N-2:	Si[4]-4:Si-4:Si-4:Si-4:	Si[4]-4:C[5]-3:	Si[4](O[4]C[4])2(SiSi3)(NC[5])	Si(Si[4]O[4]2N)(SiC3)3	N(Si[4]O[4]2Si)(C[5]N[5]2)	Si[4](O[4]C[4])2(SiSi3)(NC[5]){1|O<1>}	Si(Si[4]O[4]2N)(SiC3)3	N(Si[4]O[4]2Si)(C[5]N[5]2)	117.9440	0.000	1	117.9440	0.000	1	117.9440	0.000	1	117.9440	0.000	1	114.6903	29.446	3	112.2098	26.605	5
996	880	941	0:SP3_SP2_SP3	Si[4]	Si	N	3:3:4:2:	4:4:4:4:	4:4:	N[4]-3:N[4]-3:Si-4:N-2:	Si[4]-4:C-4:C-4:C-4:	Si[4]-4:Si-4:	Si[4](N[4]P[4]C)2(SiC3)(NSi)	Si(Si[4]N[4]2N)(CH3)3	N(Si[4]N[4]2Si)(SiC3)	Si[4](N[4]P[4]C)2(SiC3)(NSi){2|C<3>}	Si(Si[4]N[4]2N)(CH3)3	N(Si[4]N[4]2Si)(SiC3)	117.7010	0.000	1	117.7010	0.000	1	117.7010	0.000	1	117.7010	0.000	1	114.6903	29.446	3	112.2098	26.605	5
996	880	941	0:SP3_SP2_SP3	Si[4]	Si	N	4:3:2:4:	4:4:4:4:	4:3:	C[4]-4:C[4]-3:N-2:Si-4:	Si[4]-4:C-4:C-4:C-4:	Si[4]-4:C[5]-3:	Si[4](C[4]C[6a]C[4]H)(C[4]C[4]H)(NC[5])(SiC3)	Si(Si[4]C[4]2N)(CC3)3	N(Si[4]C[4]2Si)(C[5]N[5]2)	Si[4](C[4]C[6a]C[4]H)(C[4]C[4]H)(NC[5])(SiC3){1|H<1>,2|C<3>}	Si(Si[4]C[4]2N)(CC3)3	N(Si[4]C[4]2Si)(C[5]N[5]2)	108.4260	0.000	1	108.4260	0.000	1	108.4260	0.000	1	108.4260	0.000	1	114.6903	29.446	3	112.2098	26.605	5
996	880	949	0:SP3_SP3_SP3	Si[4]	Si	Se[4]	3:2:4:4:	4:4:4:4:	4:3:	Si[4]-3:Se[4]-2:Si-4:Si-4:	Si[4]-4:C-4:C-4:C-4:	Si[4]-4:Si[4]-3:	Si[4](Si[4]Si[4]Si)(Se[4]Si[4])(SiC3)2	Si(Si[4]Se[4]Si[4]Si)(CC3)2(CH3)	Se[4](Si[4]Si[4]Si2)(Si[4]Si[4]Si)	Si[4](Si[4]Si[4]Si)(Se[4]Si[4])(SiC3)2{1|Si<4>}	Si(Si[4]Se[4]Si[4]Si)(CC3)2(CH3)	Se[4](Si[4]Si[4]Si2)(Si[4]Si[4]Si){1|Si<4>}	106.8380	3.282	2	106.8380	10.774	2	106.8380	10.774	2	106.8380	10.774	2	106.8380	10.774	2	106.8380	10.774	2
996	880	951	0:SP3_SP-NON_SP3	Si[4]	Si	H	3:3:4:1:	4:4:4:4:	4:	N[4,6]-3:Si[4]-3:Si-4:H-1:	Si[4]-4:C-4:C-4:C-4:	Si[4]-4:	Si[4](N[4,6]C[4,6]C[6])(Si[4]C[4,6]Si)(SiC3)(H)	Si(Si[4]N[4,6]Si[4]H)(CSi2H)2(CCCH)	H(Si[4]N[4,6]Si[4]Si)	Si[4](N[4,6]C[4,6]C[6])(Si[4]C[4,6]Si)(SiC3)(H){1|H<1>,2|C<3>}	Si(Si[4]N[4,6]Si[4]H)(CSi2H)2(CCCH)	H(Si[4]N[4,6]Si[4]Si)	108.1480	0.000	1	108.1480	0.000	1	108.1480	0.000	1	108.1480	0.000	1	106.2900	14.595	3	106.2900	14.595	3
996	880	951	0:SP3_SP-NON_SP3	Si[4]	Si	H	3:4:4:1:	4:3:1:1:	4:	C[4,6a]-3:C[4]-4:Si-4:H-1:	Si[4]-4:C[6a]-3:H-1:H-1:	Si[4]-4:	Si[4](C[4,6a]C[4,6a]C[6a])(C[4]C[4,6a]Si2)(SiC[6a]HH)(H)	Si(Si[4]C[4,6a]C[4]H)(C[6a]C[6a]2)(H)2	H(Si[4]C[4,6a]C[4]Si)	Si[4](C[4,6a]C[4,6a]C[6a])(C[4]C[4,6a]Si2)(SiC[6a]HH)(H){1|C<4>,2|C<3>}	Si(Si[4]C[4,6a]C[4]H)(C[6a]C[6a]2)(H)2	H(Si[4]C[4,6a]C[4]Si)	108.8260	0.000	1	108.8260	0.000	1	108.8260	0.000	1	108.8260	0.000	1	106.2900	14.595	3	106.2900	14.595	3
996	880	951	0:SP3_SP-NON_SP3	Si[4]	Si	H	4:4:4:1:	4:4:4:4:	4:	Si[4]-4:C[4]-4:Si-4:H-1:	Si[4]-4:Si-4:Si-4:Si-4:	Si[4]-4:	Si[4](Si[4]C[4]CC)(C[4]C[4]HH)(SiSi3)(H)	Si(Si[4]Si[4]C[4]H)(SiC3)3	H(Si[4]Si[4]C[4]Si)	Si[4](Si[4]C[4]CC)(C[4]C[4]HH)(SiSi3)(H){2|C<4>}	Si(Si[4]Si[4]C[4]H)(SiC3)3	H(Si[4]Si[4]C[4]Si)	101.8960	0.000	1	101.8960	0.000	1	101.8960	0.000	1	101.8960	0.000	1	106.2900	14.595	3	106.2900	14.595	3
996	880	996	0:SP3_SP3_SP3	Si[4,4]	Si	Si[4,4]	4:3:3:4:	4:4:4:4:	4:3:3:4:	Si[4,4]-4:C[4]-3:C[4]-3:Si-4:	Si[4,4]-4:C-4:C-4:C-4:	Si[4,4]-4:C[4]-3:C[4]-3:Si-4:	Si[4,4](Si[4,4]C[4]2Si)(C[4]C[4]C)2(SiC3)	Si(Si[4,4]Si[4,4]C[4]2)(CC3)2(CH3)	Si[4,4](Si[4,4]C[4]2Si)(C[4]C[4]C)2(SiC3)	Si[4,4](Si[4,4]C[4]2Si)(C[4]C[4]C)2(SiC3){2|C<4>}	Si(Si[4,4]Si[4,4]C[4]2)(CC3)2(CH3)	Si[4,4](Si[4,4]C[4]2Si)(C[4]C[4]C)2(SiC3){2|C<4>}	141.4935	2.648	4	141.4935	7.010	4	141.4935	7.010	4	141.4935	7.010	4	141.4935	7.010	4	117.0041	114.526	38
996	880	996	0:SP3_SP3_SP3	Si[4,5]	Si	Si[4,5]	4:4:4:4:	4:4:4:4:	4:4:4:4:	Ge[4,5]-4:Si[4,5]-4:Si[5]-4:Si-4:	Si[4,5]-4:C-4:C-4:C-4:	Ge[4,5]-4:Si[4,5]-4:Si[5]-4:Si-4:	Si[4,5](Ge[4,5]Ge[4,5]Si[5]Si)(Si[4,5]Ge[4,5]Si[5]Si)(Si[5]Si[5]CC)(SiC3)	Si(Si[4,5]Ge[4,5]Si[4,5]Si[5])(CH3)3	Si[4,5](Ge[4,5]Ge[4,5]Si[5]Si)(Si[4,5]Ge[4,5]Si[5]Si)(Si[5]Si[5]CC)(SiC3)	Si[4,5](Ge[4,5]Ge[4,5]Si[5]Si)(Si[4,5]Ge[4,5]Si[5]Si)(Si[5]Si[5]CC)(SiC3){5|Si<4>,4|C<4>}	Si(Si[4,5]Ge[4,5]Si[4,5]Si[5])(CH3)3	Si[4,5](Ge[4,5]Ge[4,5]Si[5]Si)(Si[4,5]Ge[4,5]Si[5]Si)(Si[5]Si[5]CC)(SiC3){5|Si<4>,4|C<4>}	118.3340	0.000	1	118.3340	0.000	1	118.3340	0.000	1	118.3340	0.000	1	118.3340	0.000	1	117.0041	114.526	38
996	880	996	0:SP3_SP3_SP3	Si[4]	Si	Si[4]	4:3:4:4:	4:4:4:4:	4:4:4:4:	Si[4]-4:Ge[4]-3:Si-4:Si-4:	Si[4]-4:C-4:C-4:C-4:	Si[4]-4:Si[4]-4:C-4:C-4:	Si[4](Si[4]Si[4]CC)(Ge[4]Si[4]Ti)(SiC3)2	Si(Si[4]Ge[4]Si[4]Si)(CH3)3	Si[4](Si[4]Ge[4]Si2)2(CH3)2	Si[4](Si[4]Si[4]CC)(Ge[4]Si[4]Ti)(SiC3)2{2|Si<4>}	Si(Si[4]Ge[4]Si[4]Si)(CH3)3	Si[4](Si[4]Ge[4]Si2)2(CH3)2{1|Ti<12>}	110.6040	1.714	8	110.6040	2.937	8	110.6040	2.937	8	110.6040	2.937	8	113.9953	47.407	33	117.0041	114.526	38
996	880	996	0:SP3_SP3_SP3	Si[4]	Si	Si[4]	4:4:4:1:	4:4:4:4:	4:4:4:4:	Si[4]-4:C[4]-4:Si-4:H-1:	Si[4]-4:Si-4:Si-4:Si-4:	Si[4]-4:C[4]-4:C-4:C-4:	Si[4](Si[4]C[4]CC)(C[4]C[4]HH)(SiSi3)(H)	Si(Si[4]Si[4]C[4]H)(SiC3)3	Si[4](Si[4]C[4]SiH)(C[4]C[4]CC)(CC3)2	Si[4](Si[4]C[4]CC)(C[4]C[4]HH)(SiSi3)(H){2|C<4>}	Si(Si[4]Si[4]C[4]H)(SiC3)3	Si[4](Si[4]C[4]SiH)(C[4]C[4]CC)(CC3)2{2|H<1>}	137.9360	0.000	1	137.9360	0.000	1	137.9360	0.000	1	129.6120	113.825	3	113.9953	47.407	33	117.0041	114.526	38
996	880	996	0:SP3_SP3_SP3	Si[4]	Si	Si[4]	4:4:4:1:	4:4:4:4:	4:4:4:4:	Si[4]-4:Si[4]-4:Si-4:Br-1:	Si[4]-4:C-4:C-4:C-4:	Si[4]-4:Si[4]-4:Si-4:Si-4:	Si[4](Si[4]Si[4]Si2)2(SiC3)(Br)	Si(Si[4]Si[4]2Br)(CC3)(CH3)2	Si[4](Si[4]Si[4]BrSi)2(SiC3)2	Si[4](Si[4]Si[4]Si2)2(SiC3)(Br){1|Br<1>,1|Si<4>}	Si(Si[4]Si[4]2Br)(CC3)(CH3)2	Si[4](Si[4]Si[4]BrSi)2(SiC3)2{2|Si<4>}	125.4500	11.123	2	125.4500	123.716	2	125.4500	123.716	2	129.6120	113.825	3	113.9953	47.407	33	117.0041	114.526	38
996	880	996	0:SP3_SP3_SP3	Si[4]	Si	Si[4]	4:4:4:4:	4:4:4:4:	4:3:4:4:	Si[4]-4:Si[4]-4:Si-4:Si-4:	Si[4]-4:C-4:C-4:C-4:	Si[4]-4:Si[4]-3:C-4:C-4:	Si[4](Si[4]Si[4]CC)2(SiC3)2	Si(Si[4]Si[4]2Si)(CH3)3	Si[4](Si[4]Si[4]Si2)(Si[4]Si[4]Si)(CH3)2	Si[4](Si[4]Si[4]CC)2(SiC3)2{1|Si<4>}	Si(Si[4]Si[4]2Si)(CH3)3	Si[4](Si[4]Si[4]Si2)(Si[4]Si[4]Si)(CH3)2{2|C<4>}	115.7375	3.535	4	115.7375	12.499	4	115.7375	12.499	4	115.7375	12.499	4	113.9953	47.407	33	117.0041	114.526	38
996	880	996	0:SP3_SP3_SP3	Si[4]	Si	Si[4]	4:4:4:4:	4:4:4:4:	4:4:4:1:	Si[4]-4:Si[4]-4:Si-4:Si-4:	Si[4]-4:C-4:C-4:C-4:	Si[4]-4:Si[4]-4:Si-4:Br-1:	Si[4](Si[4]Si[4]BrSi)2(SiC3)2	Si(Si[4]Si[4]2Si)(CC3)(CH3)2	Si[4](Si[4]Si[4]Si2)2(SiC3)(Br)	Si[4](Si[4]Si[4]BrSi)2(SiC3)2{2|Si<4>}	Si(Si[4]Si[4]2Si)(CC3)(CH3)2	Si[4](Si[4]Si[4]Si2)2(SiC3)(Br){1|Br<1>,1|Si<4>}	112.5195	1.796	4	112.5195	3.225	4	112.5195	3.225	4	112.5195	3.225	4	113.9953	47.407	33	117.0041	114.526	38
996	880	996	0:SP3_SP3_SP3	Si[4]	Si	Si[4]	4:4:4:4:	4:4:4:4:	4:4:4:4:	Ge[4,4]-4:Si[4]-4:Si-4:Si-4:	Si[4]-4:C-4:C-4:C-4:	Si[4]-4:Si[4]-4:Si-4:Si-4:	Si[4](Ge[4,4]Si[4]2C[4])(Si[4]Si[4]Si2)(SiC3)2	Si(Si[4]Ge[4,4]Si[4]Si)(CH3)3	Si[4](Si[4]Ge[4,4]Si2)(Si[4]Ge[4,4]CC)(SiC3)2	Si[4](Ge[4,4]Si[4]2C[4])(Si[4]Si[4]Si2)(SiC3)2{2|C<3>,4|C<4>}	Si(Si[4]Ge[4,4]Si[4]Si)(CH3)3	Si[4](Si[4]Ge[4,4]Si2)(Si[4]Ge[4,4]CC)(SiC3)2{1|Si<4>,1|C<3>}	117.0190	0.095	2	117.0190	0.009	2	117.0190	0.009	2	112.5107	26.636	14	113.9953	47.407	33	117.0041	114.526	38
996	880	996	0:SP3_SP3_SP3	Si[4]	Si	Si[4]	4:4:4:4:	4:4:4:4:	4:4:4:4:	Si[3,4]-4:Si[4]-4:Si-4:Si-4:	Si[4]-4:C-4:C-4:C-4:	Si[4]-4:Si[4]-4:C-4:C-4:	Si[4](Si[3,4]Si[3]2Si[4])(Si[4]Si[4]CC)(SiC3)2	Si(Si[4]Si[3,4]Si[4]Si)(CH3)3	Si[4](Si[4]Si[3,4]Si2)2(CH3)2	Si[4](Si[3,4]Si[3]2Si[4])(Si[4]Si[4]CC)(SiC3)2{6|Si<4>}	Si(Si[4]Si[3,4]Si[4]Si)(CH3)3	Si[4](Si[4]Si[3,4]Si2)2(CH3)2{2|Si<4>}	107.3170	2.886	4	107.3170	8.326	4	107.3170	8.326	4	112.5107	26.636	14	113.9953	47.407	33	117.0041	114.526	38
996	880	996	0:SP3_SP3_SP3	Si[4]	Si	Si[4]	4:4:4:4:	4:4:4:4:	4:4:4:4:	Si[4]-4:Si[4]-4:Si-4:Si-4:	Si[4]-4:C-4:C-4:C-4:	Ge[4,4]-4:Si[4]-4:C-4:C-4:	Si[4](Si[4]Ge[4,4]Si2)(Si[4]Ge[4,4]CC)(SiC3)2	Si(Si[4]Si[4]2Si)(CH3)3	Si[4](Ge[4,4]Si[4]2C[4])(Si[4]Si[4]Si2)(CH3)2	Si[4](Si[4]Ge[4,4]Si2)(Si[4]Ge[4,4]CC)(SiC3)2{1|Si<4>,1|C<3>}	Si(Si[4]Si[4]2Si)(CH3)3	Si[4](Ge[4,4]Si[4]2C[4])(Si[4]Si[4]Si2)(CH3)2{2|Si<4>,2|C<3>,2|C<4>}	111.8945	9.497	2	111.8945	90.196	2	111.8945	90.196	2	112.5107	26.636	14	113.9953	47.407	33	117.0041	114.526	38
996	880	996	0:SP3_SP3_SP3	Si[4]	Si	Si[4]	4:4:4:4:	4:4:4:4:	4:4:4:4:	Si[4]-4:Si[4]-4:Si-4:Si-4:	Si[4]-4:C-4:C-4:C-4:	Ge[4,4]-4:Si[4]-4:Si-4:Si-4:	Si[4](Si[4]Ge[4,4]Si2)(Si[4]Ge[4,4]CC)(SiC3)2	Si(Si[4]Si[4]2Si)(CH3)3	Si[4](Ge[4,4]Si[4]2C[4])(Si[4]Si[4]Si2)(SiC3)2	Si[4](Si[4]Ge[4,4]Si2)(Si[4]Ge[4,4]CC)(SiC3)2{1|Si<4>,1|C<3>}	Si(Si[4]Si[4]2Si)(CH3)3	Si[4](Ge[4,4]Si[4]2C[4])(Si[4]Si[4]Si2)(SiC3)2{2|C<3>,4|C<4>}	115.7195	6.539	2	115.7195	42.754	2	115.7195	42.754	2	112.5107	26.636	14	113.9953	47.407	33	117.0041	114.526	38
996	880	996	0:SP3_SP3_SP3	Si[4]	Si	Si[4]	4:4:4:4:	4:4:4:4:	4:4:4:4:	Si[4]-4:Si[4]-4:Si-4:Si-4:	Si[4]-4:C-4:C-4:C-4:	Si[4]-4:Si[4]-4:C-4:C-4:	Si[4](Si[4]Si[4]CC)2(SiC3)2	Si(Si[4]Si[4]2Si)(CH3)3	Si[4](Si[4]Si[4]Si2)2(CH3)2	Si[4](Si[4]Si[4]CC)2(SiC3)2{2|Si<4>}	Si(Si[4]Si[4]2Si)(CH3)3	Si[4](Si[4]Si[4]Si2)2(CH3)2{2|C<4>}	114.1540	1.594	4	114.1540	2.542	4	114.1540	2.542	4	112.5107	26.636	14	113.9953	47.407	33	117.0041	114.526	38
996	882	941	0:SP3_SP2_SP3	Si[4,5]	P[4,4,5]	N	3:3:2:4:	4:4:3:	4:3:	P[3,4,5]-3:P[4,4,5]-3:N-2:Si-4:	Si[4,5]-4:Si[4,5]-4:P[3,4,4]-3:	Si[4,5]-4:C[5]-3:	Si[4,5](P[3,4,5]P[3,4,4]P[3,4,5])(P[4,4,5]P[3,4,4]Si[4,5])(NC[5])(SiC3)	P[4,4,5](Si[4,5]P[3,4,5]SiN)2(P[3,4,4]P[3,4,5]2)	N(Si[4,5]P[3,4,5]P[4,4,5]Si)(C[5]N[5]2)	Si[4,5](P[3,4,5]P[3,4,4]P[3,4,5])(P[4,4,5]P[3,4,4]Si[4,5])(NC[5])(SiC3){1|Si<4>,1|N<2>}	P[4,4,5](Si[4,5]P[3,4,5]SiN)2(P[3,4,4]P[3,4,5]2)	N(Si[4,5]P[3,4,5]P[4,4,5]Si)(C[5]N[5]2)	121.2120	3.418	2	121.2120	11.684	2	121.2120	11.684	2	121.2120	11.684	2	121.2120	11.684	2	121.2120	11.684	2
996	882	996	4:SP3_SP3_SP3	Si[4,4]	P[3x4]	Si[3x4]	4:3:4:4:	4:4:4:	4:4:4:3:	Si[3x4]-4:P[3x4]-3:C-4:C-4:	Si[4,4]-4:Si[4,4]-4:Si[4,4]-4:	Si[4,4]-4:Si[4,4]-4:Si[4,4]-4:C[6a]-3:	Si[4,4](Si[3x4]Si[4,4]2C[6a])(P[3x4]Si[4,4]2)(CCCH)2	P[3x4](Si[4,4]Si[3x4]CC)3	Si[3x4](Si[4,4]P[3x4]CC)3(C[6a]C[6a]2)	Si[4,4](Si[3x4]Si[4,4]2C[6a])(P[3x4]Si[4,4]2)(CCCH)2{2|C<3>,4|C<4>}	P[3x4](Si[4,4]Si[3x4]CC)3{1|C<3>}	Si[3x4](Si[4,4]P[3x4]CC)3(C[6a]C[6a]2){2|C<3>,2|H<1>}	80.4962	0.262	3	80.4962	0.069	3	80.4962	0.069	3	80.4962	0.069	3	80.4962	0.069	3	80.4962	0.069	3
996	893	941	0:SP3_SP2_SP3	Si[4]	O	N	2:2:2:2:	4:4:	4:3:	O[4]-2:O[4]-2:N-2:O-2:	Si[4]-4:Si-4:	Si[4]-4:C[5]-3:	Si[4](O[4]C[4])2(NC[5])(OSi)	O(Si[4]O[4]2N)(SiC3)	N(Si[4]O[4]2O)(C[5]N[5]2)	Si[4](O[4]C[4])2(NC[5])(OSi){1|O<1>}	O(Si[4]O[4]2N)(SiC3)	N(Si[4]O[4]2O)(C[5]N[5]2)	112.3875	0.128	2	112.3875	0.016	2	112.3875	0.016	2	112.3875	0.016	2	112.3875	0.016	2	112.3875	0.016	2
996	893	956	0:SP3_SP2_SP3	Si[4]	O	N	3:3:3:2:	4:4:	4:4:4:	N[4]-3:N[4]-3:N-3:O-2:	Si[4]-4:B-4:	Si[4]-4:Si-4:Si-4:	Si[4](N[4]C[4]C)2(NSi2)(OB)	O(Si[4]N[4]2N)(BF3)	N(Si[4]N[4]2O)(SiC3)2	Si[4](N[4]C[4]C)2(NSi2)(OB){1|C<3>}	O(Si[4]N[4]2N)(BF3)	N(Si[4]N[4]2O)(SiC3)2	112.2320	0.000	1	112.2320	0.000	1	112.2320	0.000	1	112.2320	0.000	1	112.2320	0.000	1	112.2320	0.000	1
996	893	956	0:SP3_SP3_SP3	Si[4]	O	N	3:3:3:2:	4:4:	4:4:4:	N[4]-3:N[4]-3:N-3:O-2:	Si[4]-4:B-4:	Si[4]-4:Si-4:Si-4:	Si[4](N[4]C[4]C)2(NSi2)(OB)	O(Si[4]N[4]2N)(BF3)	N(Si[4]N[4]2O)(SiC3)2	Si[4](N[4]C[4]C)2(NSi2)(OB){1|C<3>}	O(Si[4]N[4]2N)(BF3)	N(Si[4]N[4]2O)(SiC3)2	110.7190	0.000	1	110.7190	0.000	1	110.7190	0.000	1	110.7190	0.000	1	110.7190	0.000	1	110.7190	0.000	1
996	907	907	4:SP3_SP3_SP3	Si[4,4]	Ge[3x4]	Ge[3x4]	4:4:3:3:	4:4:4:2:	4:4:4:2:	Ge[3x4]-4:Ge[3x4]-4:C[6a]-3:C[6a]-3:	Si[4,4]-4:Si[4,4]-4:Si[4,4]-4:S-2:	Si[4,4]-4:Si[4,4]-4:Si[4,4]-4:S-2:	Si[4,4](Ge[3x4]Si[4,4]2S)2(C[6a]C[6a]2)2	Ge[3x4](Si[4,4]Ge[3x4]C[6a]2)3(SC[5])	Ge[3x4](Si[4,4]Ge[3x4]C[6a]2)3(SC[5])	Si[4,4](Ge[3x4]Si[4,4]2S)2(C[6a]C[6a]2)2{4|C<4>,8|C<3>}	Ge[3x4](Si[4,4]Ge[3x4]C[6a]2)3(SC[5]){12|C<3>,1|S<2>}	Ge[3x4](Si[4,4]Ge[3x4]C[6a]2)3(SC[5]){12|C<3>,1|S<2>}	72.6801	0.219	2	72.6801	0.048	2	72.6801	0.048	2	72.6801	0.048	2	72.6801	0.048	2	78.1171	88.708	3
996	907	907	4:SP3_SP3_SP3	Si[4]	Ge[4,4]	Ge[4]	4:4:4:4:	4:3:4:4:	4:4:4:4:	Ge[4,4]-4:Ge[4]-4:C-4:C-4:	Ge[4]-4:C[4]-3:Si[4]-4:Si[4]-4:	Ge[4]-4:Si[4]-4:Si-4:Si-4:	Si[4](Ge[4,4]Ge[4]Si[4]C[4])(Ge[4]Ge[4]Si2)(CH3)2	Ge[4,4](Ge[4]Ge[4]Si2)(C[4]C[6a]C[4])(Si[4]Ge[4]CC)(Si[4]C[4]CC)	Ge[4](Ge[4]Ge[4,4]Si2)(Si[4]Ge[4,4]CC)(SiC3)2	Si[4](Ge[4,4]Ge[4]Si[4]C[4])(Ge[4]Ge[4]Si2)(CH3)2{2|Si<4>,2|C<3>,2|C<4>}	Ge[4,4](Ge[4]Ge[4]Si2)(C[4]C[6a]C[4])(Si[4]Ge[4]CC)(Si[4]C[4]CC){2|Si<4>,3|C<3>}	Ge[4](Ge[4]Ge[4,4]Si2)(Si[4]Ge[4,4]CC)(SiC3)2{1|Si<4>,1|C<3>}	88.9912	0.000	1	88.9912	0.000	1	88.9912	0.000	1	88.9912	0.000	1	88.9912	0.000	1	78.1171	88.708	3
996	907	996	4:SP3_SP3_SP3	Si[4,5]	Ge[4,5]	Si[4,5]	4:4:4:4:	4:4:4:4:	4:4:4:4:	Ge[4,5]-4:Si[4,5]-4:Si[5]-4:Si-4:	Ge[4,5]-4:Si[4,5]-4:Si[5]-4:Si-4:	Ge[4,5]-4:Si[4,5]-4:Si[5]-4:Si-4:	Si[4,5](Ge[4,5]Ge[4,5]Si[5]Si)(Si[4,5]Ge[4,5]Si[5]Si)(Si[5]Si[5]CC)(SiC3)	Ge[4,5](Ge[4,5]Si[4,5]Si[5]Si)(Si[4,5]Si[4,5]Si[5]Si)(Si[5]Si[5]Si2)(SiC3)	Si[4,5](Ge[4,5]Ge[4,5]Si[5]Si)(Si[4,5]Ge[4,5]Si[5]Si)(Si[5]Si[5]CC)(SiC3)	Si[4,5](Ge[4,5]Ge[4,5]Si[5]Si)(Si[4,5]Ge[4,5]Si[5]Si)(Si[5]Si[5]CC)(SiC3){5|Si<4>,4|C<4>}	Ge[4,5](Ge[4,5]Si[4,5]Si[5]Si)(Si[4,5]Si[4,5]Si[5]Si)(Si[5]Si[5]Si2)(SiC3){5|Si<4>,4|C<4>}	Si[4,5](Ge[4,5]Ge[4,5]Si[5]Si)(Si[4,5]Ge[4,5]Si[5]Si)(Si[5]Si[5]CC)(SiC3){5|Si<4>,4|C<4>}	91.0385	0.000	1	91.0385	0.000	1	91.0385	0.000	1	91.0385	0.000	1	91.0385	0.000	1	88.3298	5.821	3
996	907	996	4:SP3_SP3_SP3	Si[4]	Ge[4,4]	Si[4]	4:4:4:4:	4:3:4:4:	4:4:4:4:	Ge[4,4]-4:Si[4]-4:C-4:C-4:	Si[4]-4:C[4]-3:Si[4]-4:Si[4]-4:	Si[4]-4:Si[4]-4:Si-4:Si-4:	Si[4](Ge[4,4]Si[4]2C[4])(Si[4]Si[4]Si2)(CH3)2	Ge[4,4](Si[4]Si[4]Si2)(C[4]C[6a]C[4])(Si[4]Si[4]CC)(Si[4]C[4]CC)	Si[4](Si[4]Ge[4,4]Si2)(Si[4]Ge[4,4]CC)(SiC3)2	Si[4](Ge[4,4]Si[4]2C[4])(Si[4]Si[4]Si2)(CH3)2{2|Si<4>,2|C<3>,2|C<4>}	Ge[4,4](Si[4]Si[4]Si2)(C[4]C[6a]C[4])(Si[4]Si[4]CC)(Si[4]C[4]CC){2|Si<4>,3|C<3>}	Si[4](Si[4]Ge[4,4]Si2)(Si[4]Ge[4,4]CC)(SiC3)2{1|Si<4>,1|C<3>}	87.5399	0.000	1	87.5399	0.000	1	87.5399	0.000	1	86.9755	0.637	2	86.9755	0.637	2	88.3298	5.821	3
996	907	996	4:SP3_SP3_SP3	Si[4]	Ge[4,4]	Si[4]	4:4:4:4:	4:3:4:4:	4:4:4:4:	Ge[4,4]-4:Si[4]-4:Si-4:Si-4:	Si[4]-4:C[4]-3:Si[4]-4:Si[4]-4:	Si[4]-4:Si[4]-4:Si-4:Si-4:	Si[4](Ge[4,4]Si[4]2C[4])(Si[4]Si[4]Si2)(SiC3)2	Ge[4,4](Si[4]Si[4]Si2)(C[4]C[6a]C[4])(Si[4]Si[4]CC)(Si[4]C[4]CC)	Si[4](Si[4]Ge[4,4]Si2)(Si[4]Ge[4,4]CC)(SiC3)2	Si[4](Ge[4,4]Si[4]2C[4])(Si[4]Si[4]Si2)(SiC3)2{2|C<3>,4|C<4>}	Ge[4,4](Si[4]Si[4]Si2)(C[4]C[6a]C[4])(Si[4]Si[4]CC)(Si[4]C[4]CC){2|Si<4>,3|C<3>}	Si[4](Si[4]Ge[4,4]Si2)(Si[4]Ge[4,4]CC)(SiC3)2{1|Si<4>,1|C<3>}	86.4111	0.000	1	86.4111	0.000	1	86.4111	0.000	1	86.9755	0.637	2	86.9755	0.637	2	88.3298	5.821	3
996	909	977	0:SP3_SP-NON_SP3	Si[4]	S	S	3:3:2:1:	4:2:	4:	N[4]-3:N[4]-3:S-2:S-1:	Si[4]-4:Ge-2:	Si[4]-4:	Si[4](N[4]C[4]C)2(SGe)(S)	S(Si[4]N[4]2S)(GeS)	S(Si[4]N[4]2S)	Si[4](N[4]C[4]C)2(SGe)(S){1|C<3>}	S(Si[4]N[4]2S)(GeS)	S(Si[4]N[4]2S)	112.2980	0.000	1	112.2980	0.000	1	112.2980	0.000	1	112.2980	0.000	1	112.2980	0.000	1	112.2980	0.000	1
996	924	956	0:SP3_SP-NON_SP2	Si[4]	Br	N	4:4:3:1:	4:	4:3:4:	C[4,6]-4:Si[4]-4:N-3:Br-1:	Si[4]-4:	Si[4]-4:C[6a]-3:Si-4:	Si[4](C[4,6]C[4,6]C[6]H)(Si[4]C[4,6]BrN)(NC[6a]Si)(Br)	Br(Si[4]C[4,6]Si[4]N)	N(Si[4]C[4,6]Si[4]Br)(C[6a]C[6a]2)(SiC3)	Si[4](C[4,6]C[4,6]C[6]H)(Si[4]C[4,6]BrN)(NC[6a]Si)(Br){2|C<3>,2|H<1>}	Br(Si[4]C[4,6]Si[4]N)	N(Si[4]C[4,6]Si[4]Br)(C[6a]C[6a]2)(SiC3)	113.4680	0.000	1	113.4680	0.000	1	112.3585	2.462	2	112.3585	2.462	2	112.3585	2.462	2	112.3585	2.462	2
996	924	956	0:SP3_SP-NON_SP2	Si[4]	Br	N	4:4:3:1:	4:	4:3:4:	C[4,6]-4:Si[4]-4:N-3:Br-1:	Si[4]-4:	Si[4]-4:C[6a]-3:Si-4:	Si[4](C[4,6]C[6,6a]C[4,6]H)(Si[4]C[4,6]BrN)(NC[6a]Si)(Br)	Br(Si[4]C[4,6]Si[4]N)	N(Si[4]C[4,6]Si[4]Br)(C[6a]C[6a]2)(SiC3)	Si[4](C[4,6]C[6,6a]C[4,6]H)(Si[4]C[4,6]BrN)(NC[6a]Si)(Br){1|H<1>,3|C<3>}	Br(Si[4]C[4,6]Si[4]N)	N(Si[4]C[4,6]Si[4]Br)(C[6a]C[6a]2)(SiC3)	111.2490	0.000	1	111.2490	0.000	1	112.3585	2.462	2	112.3585	2.462	2	112.3585	2.462	2	112.3585	2.462	2
996	924	996	0:SP3_SP-NON_SP3	Si[4]	Br	Si[4]	4:4:3:1:	4:	4:4:3:1:	C[4,6]-4:Si[4]-4:N-3:Br-1:	Si[4]-4:	C[4,6]-4:Si[4]-4:N-3:Br-1:	Si[4](C[4,6]C[4,6]C[6]H)(Si[4]C[4,6]BrN)(NC[6a]Si)(Br)	Br(Si[4]C[4,6]Si[4]N)	Si[4](C[4,6]C[6,6a]C[4,6]H)(Si[4]C[4,6]BrN)(NC[6a]Si)(Br)	Si[4](C[4,6]C[4,6]C[6]H)(Si[4]C[4,6]BrN)(NC[6a]Si)(Br){2|C<3>,2|H<1>}	Br(Si[4]C[4,6]Si[4]N)	Si[4](C[4,6]C[6,6a]C[4,6]H)(Si[4]C[4,6]BrN)(NC[6a]Si)(Br){1|H<1>,3|C<3>}	106.4500	0.000	1	106.4500	0.000	1	105.7565	0.962	2	105.7565	0.962	2	106.4300	2.008	4	106.4300	2.008	4
996	924	996	0:SP3_SP-NON_SP3	Si[4]	Br	Si[4]	4:4:3:1:	4:	4:4:3:1:	C[4,6]-4:Si[4]-4:N-3:Br-1:	Si[4]-4:	C[4,6]-4:Si[4]-4:N-3:Br-1:	Si[4](C[4,6]C[6,6a]C[4,6]H)(Si[4]C[4,6]BrN)(NC[6a]Si)(Br)	Br(Si[4]C[4,6]Si[4]N)	Si[4](C[4,6]C[4,6]C[6]H)(Si[4]C[4,6]BrN)(NC[6a]Si)(Br)	Si[4](C[4,6]C[6,6a]C[4,6]H)(Si[4]C[4,6]BrN)(NC[6a]Si)(Br){1|H<1>,3|C<3>}	Br(Si[4]C[4,6]Si[4]N)	Si[4](C[4,6]C[4,6]C[6]H)(Si[4]C[4,6]BrN)(NC[6a]Si)(Br){2|C<3>,2|H<1>}	105.0630	0.000	1	105.0630	0.000	1	105.7565	0.962	2	105.7565	0.962	2	106.4300	2.008	4	106.4300	2.008	4
996	924	996	0:SP3_SP-NON_SP3	Si[4]	Br	Si[4]	4:4:4:1:	4:	4:4:4:4:	Si[4]-4:Si[4]-4:Si-4:Br-1:	Si[4]-4:	Si[4]-4:Si[4]-4:Si-4:Si-4:	Si[4](Si[4]Si[4]Si2)2(SiC3)(Br)	Br(Si[4]Si[4]2Si)	Si[4](Si[4]Si[4]BrSi)2(SiC3)2	Si[4](Si[4]Si[4]Si2)2(SiC3)(Br){1|Br<1>,1|Si<4>}	Br(Si[4]Si[4]2Si)	Si[4](Si[4]Si[4]BrSi)2(SiC3)2{2|Si<4>}	107.1035	1.802	2	107.1035	3.249	2	107.1035	3.249	2	107.1035	3.249	2	106.4300	2.008	4	106.4300	2.008	4
996	930	980	0:SP3_SP2_SP3	Si[4]	C	N[4,5]	4:3:3:2:	4:3:3:	4:4:4:4:	N[4,5]-4:C[4]-3:C-3:C-2:	Si[4]-4:Ga-3:C-3:	Ga[4]-4:Si[4]-4:C[5]-4:C[5]-4:	Si[4](N[4,5]Ga[4]C[5]2)(C[4]Ga[4]C)(CGaC)(CC)	C(Si[4]N[4,5]C[4]C)(GaCC)(CCH)	N[4,5](Ga[4]C[4]CH)(Si[4]C[4]CC)(C[5]C[5]HH)2	Si[4](N[4,5]Ga[4]C[5]2)(C[4]Ga[4]C)(CGaC)(CC){3|C<4>,5|H<1>}	C(Si[4]N[4,5]C[4]C)(GaCC)(CCH)	N[4,5](Ga[4]C[4]CH)(Si[4]C[4]CC)(C[5]C[5]HH)2{1|C<3>,4|H<1>}	104.0400	0.000	1	104.0400	0.000	1	104.0400	0.000	1	104.0400	0.000	1	104.0400	0.000	1	104.0400	0.000	1
996	930	983	0:SP3_SP1_SP2	Si[4]	C	C	4:3:3:2:	4:3:3:	4:2:	N[4,5]-4:C[4]-3:C-3:C-2:	Si[4]-4:Ga-3:C-3:	Si[4]-4:C-2:	Si[4](N[4,5]Ga[4]C[5]2)(C[4]Ga[4]C)(CGaC)(CC)	C(Si[4]N[4,5]C[4]C)(GaCC)(CCH)	C(Si[4]N[4,5]C[4]C)(CC)	Si[4](N[4,5]Ga[4]C[5]2)(C[4]Ga[4]C)(CGaC)(CC){3|C<4>,5|H<1>}	C(Si[4]N[4,5]C[4]C)(GaCC)(CCH)	C(Si[4]N[4,5]C[4]C)(CC)	122.3520	0.000	1	122.3520	0.000	1	122.3520	0.000	1	122.3520	0.000	1	122.3520	0.000	1	122.3520	0.000	1
996	937	937	6:SP3_SP1_SP1	Si[4,4x5,6,6]	Si[5,5,6,6]	Si[5,5,6,6]	2:2:2:2:	4:3:	4:3:	Si[5,5,6,6]-2:Si[5,5,6,6]-2:Si[4,5,5]-2:Si[4,5,5]-2:	Si[4,4x5,6,6]-4:Si[4,5,5,6,6]-3:	Si[4,4x5,6,6]-4:Si[4,5,5,6,6]-3:	Si[4,4x5,6,6](Si[5,5,6,6]Si[4,5,5,6,6])2(Si[4,5,5]Si[4,4,4x5,6])2	Si[5,5,6,6](Si[4,4x5,6,6]Si[5,5,6,6]Si[4,5,5]2)(Si[4,5,5,6,6]Si[4,4,4x5,6]Si[4,6])	Si[5,5,6,6](Si[4,4x5,6,6]Si[5,5,6,6]Si[4,5,5]2)(Si[4,5,5,6,6]Si[4,4,4x5,6]Si[4,6])	Si[4,4x5,6,6](Si[5,5,6,6]Si[4,5,5,6,6])2(Si[4,5,5]Si[4,4,4x5,6])2{1|Si<2>}	Si[5,5,6,6](Si[4,4x5,6,6]Si[5,5,6,6]Si[4,5,5]2)(Si[4,5,5,6,6]Si[4,4,4x5,6]Si[4,6]){1|Si<3>}	Si[5,5,6,6](Si[4,4x5,6,6]Si[5,5,6,6]Si[4,5,5]2)(Si[4,5,5,6,6]Si[4,4,4x5,6]Si[4,6]){1|Si<3>}	98.3748	0.000	1	98.3748	0.000	1	98.3748	0.000	1	98.3748	0.000	1	98.3748	0.000	1	98.3748	0.000	1
996	941	945	0:SP3_SP2_SP3	Si[4]	N	P	3:3:3:2:	4:3:	4:3:3:	N[4]-3:N[4]-3:P-3:N-2:	Si[4]-4:C[6a]-3:	Si[4]-4:C[6a]-3:C[6a]-3:	Si[4](N[4]C[4]C)2(PC[6a]2)(NC[6a])	N(Si[4]N[4]2P)(C[6a]C[6a]2)	P(Si[4]N[4]2N)(C[6a]C[6a]2)2	Si[4](N[4]C[4]C)2(PC[6a]2)(NC[6a]){1|C<3>}	N(Si[4]N[4]2P)(C[6a]C[6a]2)	P(Si[4]N[4]2N)(C[6a]C[6a]2)2	118.8235	0.069	2	118.8235	0.005	2	118.8235	0.005	2	118.8235	0.005	2	118.8235	0.005	2	118.8235	0.005	2
996	941	956	0:SP3_SP2_SP2	Si[4]	N	N	3:3:3:2:	4:4:	4:3:3:	N[4]-3:N[4]-3:N-3:N-2:	C[3x6]-4:Si[4]-4:	Si[4]-4:C[6a]-3:C[6a]-3:	Si[4](N[4]C[4]C)2(NC[6a]2)(NC[3x6])	N(C[3x6]C[6,6]3)(Si[4]N[4]2N)	N(Si[4]N[4]2N)(C[6a]C[6a]2)2	Si[4](N[4]C[4]C)2(NC[6a]2)(NC[3x6]){1|C<3>}	N(C[3x6]C[6,6]3)(Si[4]N[4]2N)	N(Si[4]N[4]2N)(C[6a]C[6a]2)2	114.2130	0.000	1	114.2130	0.000	1	114.2130	0.000	1	116.5455	10.881	2	118.0873	12.572	3	118.0873	12.572	3
996	941	956	0:SP3_SP2_SP2	Si[4]	N	N	3:3:3:2:	4:4:	4:3:3:	N[4]-3:N[4]-3:N-3:N-2:	Si[4]-4:Si-4:	Si[4]-4:C[6a]-3:C[6a]-3:	Si[4](N[4]C[4]C)2(NC[6a]2)(NSi)	N(Si[4]N[4]2N)(SiC3)	N(Si[4]N[4]2N)(C[6a]C[6a]2)2	Si[4](N[4]C[4]C)2(NC[6a]2)(NSi){1|C<3>}	N(Si[4]N[4]2N)(SiC3)	N(Si[4]N[4]2N)(C[6a]C[6a]2)2	118.8780	0.000	1	118.8780	0.000	1	118.8780	0.000	1	116.5455	10.881	2	118.0873	12.572	3	118.0873	12.572	3
996	941	956	0:SP3_SP2_SP2	Si[4]	N	N	3:3:3:2:	4:4:	4:4:4:	N[4]-3:N[4]-3:N-3:N-2:	Si[4]-4:Si-4:	Si[4]-4:C-4:C-4:	Si[4](N[4]C[6a]C[4])2(NCC)(NSi)	N(Si[4]N[4]2N)(SiC3)	N(Si[4]N[4]2N)(CH3)2	Si[4](N[4]C[6a]C[4])2(NCC)(NSi){5|C<3>}	N(Si[4]N[4]2N)(SiC3)	N(Si[4]N[4]2N)(CH3)2	121.1710	0.000	1	121.1710	0.000	1	121.1710	0.000	1	121.1710	0.000	1	118.0873	12.572	3	118.0873	12.572	3
996	941	956	0:SP3_SP2_SP3	Si[4]	N	N	3:3:3:2:	4:4:	4:4:4:	N-3:N[4]-3:N[4]-3:N-2:	Si[4]-4:Si-4:	C[3x6]-4:Si[4]-4:Si-4:	Si[4](NC[3x6]Si)(N[4]C[4]C)2(NSi)	N(Si[4]N[4]2N)(SiC3)	N(C[3x6]C[6,6]3)(Si[4]N[4]2N)(SiC3)	Si[4](NC[3x6]Si)(N[4]C[4]C)2(NSi){1|C<3>}	N(Si[4]N[4]2N)(SiC3)	N(C[3x6]C[6,6]3)(Si[4]N[4]2N)(SiC3)	114.2490	0.000	1	114.2490	0.000	1	114.2490	0.000	1	117.2975	18.587	2	117.2975	18.587	2	117.2975	18.587	2
996	941	956	0:SP3_SP2_SP3	Si[4]	N	N	3:3:3:2:	4:4:	4:4:4:	N[4]-3:N[4]-3:N-3:N-2:	Si[4]-4:Si-4:	Si[4]-4:C-4:C-4:	Si[4](N[4]C[6a]C[4])2(NCC)(NSi)	N(Si[4]N[4]2N)(SiC3)	N(Si[4]N[4]2N)(CH3)2	Si[4](N[4]C[6a]C[4])2(NCC)(NSi){5|C<3>}	N(Si[4]N[4]2N)(SiC3)	N(Si[4]N[4]2N)(CH3)2	120.3460	0.000	1	120.3460	0.000	1	120.3460	0.000	1	117.2975	18.587	2	117.2975	18.587	2	117.2975	18.587	2
996	941	980	0:SP3_SP2_SP3	Si[4,5]	N	N[4,5]	4:4:3:2:	4:3:	4:4:3:4:	N[4,5]-4:N[4,5]-4:N[5]-3:N-2:	Si[4,5]-4:B[5a]-3:	Si[4,5]-4:Si[4,5]-4:C[5]-3:C-4:	Si[4,5](N[4,5]Si[4,5]C[5]C)2(N[5]C[5]C)(NB[5a])	N(Si[4,5]N[4,5]2N[5])(B[5a]N[5a]2)	N[4,5](Si[4,5]N[4,5]N[5]N)2(C[5]C[5]H)(CC3)	Si[4,5](N[4,5]Si[4,5]C[5]C)2(N[5]C[5]C)(NB[5a]){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	N(Si[4,5]N[4,5]2N[5])(B[5a]N[5a]2)	N[4,5](Si[4,5]N[4,5]N[5]N)2(C[5]C[5]H)(CC3){1|H<1>,2|C<3>,3|C<4>}	120.4605	8.502	2	120.4605	72.276	2	120.4605	72.276	2	120.4605	72.276	2	120.4605	72.276	2	120.4605	72.276	2
996	944	944	0:SP3_SP-NON_SP-NON	Si[4,5]	I	I	4:4:1:1:	4:	4:	C[4,3x5]-4:C[4,5,5,6,6]-4:I-1:I-1:	Si[4,5]-4:	Si[4,5]-4:	Si[4,5](C[4,3x5]P[4,5,5,6,6]P[4,3x5,6]C)(C[4,5,5,6,6]P[4,5,5,6,6]2C)(I)2	I(Si[4,5]C[4,5,5,6,6]C[4,3x5]I)	I(Si[4,5]C[4,5,5,6,6]C[4,3x5]I)	Si[4,5](C[4,3x5]P[4,5,5,6,6]P[4,3x5,6]C)(C[4,5,5,6,6]P[4,5,5,6,6]2C)(I)2{1|C<4>,2|P<3>}	I(Si[4,5]C[4,5,5,6,6]C[4,3x5]I)	I(Si[4,5]C[4,5,5,6,6]C[4,3x5]I)	103.2165	0.013	2	103.2165	0.000	2	103.2165	0.000	2	103.2165	0.000	2	103.2165	0.000	2	103.2165	0.000	2
996	951	996	0:SP3_SP-NON_SP3	Si[4,4]	H	Si[4x4]	4:4:3:1:	4:	4:4:4:3:	Si[4x4]-4:Si[4x4]-4:C[6a]-3:H-1:	Si[4,4]-4:	Si[4x4]-4:Si[4x4]-4:Si[4,4]-4:C[6a]-3:	Si[4,4](Si[4x4]Si[4x4]2C[6a])2(C[6a]C[6a]2)(H)	H(Si[4,4]Si[4x4]2C[6a])	Si[4x4](Si[4x4]Si[4,4]Si[4x4]C[6a])2(Si[4,4]Si[4x4]C[6a]H)(C[6a]C[6a]2)	Si[4,4](Si[4x4]Si[4x4]2C[6a])2(C[6a]C[6a]2)(H){1|Si<4>,2|C<4>,8|C<3>}	H(Si[4,4]Si[4x4]2C[6a])	Si[4x4](Si[4x4]Si[4,4]Si[4x4]C[6a])2(Si[4,4]Si[4x4]C[6a]H)(C[6a]C[6a]2){10|C<3>,1|H<1>,2|C<4>}	110.1942	3.241	4	110.1942	10.507	4	110.1942	10.507	4	110.1942	10.507	4	110.1942	10.507	4	109.5796	9.769	5
996	951	996	0:SP3_SP-NON_SP3	Si[4]	H	Si[4]	4:4:4:1:	4:	4:4:4:4:	Si[4]-4:C[4]-4:Si-4:H-1:	Si[4]-4:	Si[4]-4:C[4]-4:C-4:C-4:	Si[4](Si[4]C[4]CC)(C[4]C[4]HH)(SiSi3)(H)	H(Si[4]Si[4]C[4]Si)	Si[4](Si[4]C[4]SiH)(C[4]C[4]CC)(CC3)2	Si[4](Si[4]C[4]CC)(C[4]C[4]HH)(SiSi3)(H){2|C<4>}	H(Si[4]Si[4]C[4]Si)	Si[4](Si[4]C[4]SiH)(C[4]C[4]CC)(CC3)2{2|H<1>}	107.1210	0.000	1	107.1210	0.000	1	107.1210	0.000	1	107.1210	0.000	1	107.1210	0.000	1	109.5796	9.769	5
996	956	996	0:SP3_SP2_SP3	Si[4,5]	N	Si[4,5]	3:4:3:3:	4:3:4:	3:4:3:3:	C[5,6a]-3:Si[4,5]-4:C[4]-3:N-3:	Si[4,5]-4:C-3:C-4:	C[5,6a]-3:Si[4,5]-4:C[4]-3:N-3:	Si[4,5](C[5,6a]C[5,6a,6a]C[6a])(Si[4,5]C[5,6a]C[4]N)(C[4]C[6a]C[4])(NCC)	N(Si[4,5]C[5,6a]Si[4,5]C[4])(CC[6a]N)(CC3)	Si[4,5](C[5,6a]C[5,6a,6a]C[6a])(Si[4,5]C[5,6a]C[4]N)(C[4]C[6a]C[4])(NCC)	Si[4,5](C[5,6a]C[5,6a,6a]C[6a])(Si[4,5]C[5,6a]C[4]N)(C[4]C[6a]C[4])(NCC){1|H<1>,6|C<3>}	N(Si[4,5]C[5,6a]Si[4,5]C[4])(CC[6a]N)(CC3)	Si[4,5](C[5,6a]C[5,6a,6a]C[6a])(Si[4,5]C[5,6a]C[4]N)(C[4]C[6a]C[4])(NCC){1|H<1>,6|C<3>}	145.0970	0.000	1	145.0970	0.000	1	145.0970	0.000	1	145.0970	0.000	1	145.0970	0.000	1	135.4267	41.864	4
996	956	996	0:SP3_SP2_SP3	Si[4]	N	Si[4,6,6]	4:3:2:3:	4:3:4:	4:5:4:4:	Si[4,6,6]-4:C[6a]-3:O[4]-2:N-3:	Si[4]-4:C-3:C-4:	Si[4,3x6]-4:Si[4,4]-5:Si[4]-4:C[3x6]-4:	Si[4](Si[4,6,6]Si[4,3x6]Si[4,4]C[3x6])(C[6a]C[6,6a]C[6a])(O[4]Si[4,4])(NCC)	N(Si[4]Si[4,6,6]C[6a]O[4])(CC[6a]N)(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](Si[4,6,6]Si[4,3x6]Si[4,4]C[3x6])(C[6a]C[6,6a]C[6a])(O[4]Si[4,4])(NCC){1|Si<4>,1|Si<5>,1|C<4>,1|O<2>,2|H<1>,2|N<3>,5|C<3>}	N(Si[4]Si[4,6,6]C[6a]O[4])(CC[6a]N)(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){1|O<2>,2|C<4>,3|H<1>,3|N<3>,9|C<3>}	132.9680	0.000	1	132.9680	0.000	1	132.9680	0.000	1	132.9680	0.000	1	132.9680	0.000	1	135.4267	41.864	4
996	956	996	0:SP3_SP2_SP3	Si[4]	N	Si[4]	4:4:3:1:	4:3:4:	4:4:3:1:	C[4,6]-4:Si[4]-4:N-3:Br-1:	Si[4]-4:C[6a]-3:Si-4:	C[4,6]-4:Si[4]-4:N-3:Br-1:	Si[4](C[4,6]C[4,6]C[6]H)(Si[4]C[4,6]BrN)(NC[6a]Si)(Br)	N(Si[4]C[4,6]Si[4]Br)(C[6a]C[6a]2)(SiC3)	Si[4](C[4,6]C[6,6a]C[4,6]H)(Si[4]C[4,6]BrN)(NC[6a]Si)(Br)	Si[4](C[4,6]C[4,6]C[6]H)(Si[4]C[4,6]BrN)(NC[6a]Si)(Br){2|C<3>,2|H<1>}	N(Si[4]C[4,6]Si[4]Br)(C[6a]C[6a]2)(SiC3)	Si[4](C[4,6]C[6,6a]C[4,6]H)(Si[4]C[4,6]BrN)(NC[6a]Si)(Br){1|H<1>,3|C<3>}	131.6980	0.000	1	131.6980	0.000	1	131.8210	0.030	2	131.8210	0.030	2	131.8210	0.030	2	135.4267	41.864	4
996	956	996	0:SP3_SP2_SP3	Si[4]	N	Si[4]	4:4:3:1:	4:3:4:	4:4:3:1:	C[4,6]-4:Si[4]-4:N-3:Br-1:	Si[4]-4:C[6a]-3:Si-4:	C[4,6]-4:Si[4]-4:N-3:Br-1:	Si[4](C[4,6]C[6,6a]C[4,6]H)(Si[4]C[4,6]BrN)(NC[6a]Si)(Br)	N(Si[4]C[4,6]Si[4]Br)(C[6a]C[6a]2)(SiC3)	Si[4](C[4,6]C[4,6]C[6]H)(Si[4]C[4,6]BrN)(NC[6a]Si)(Br)	Si[4](C[4,6]C[6,6a]C[4,6]H)(Si[4]C[4,6]BrN)(NC[6a]Si)(Br){1|H<1>,3|C<3>}	N(Si[4]C[4,6]Si[4]Br)(C[6a]C[6a]2)(SiC3)	Si[4](C[4,6]C[4,6]C[6]H)(Si[4]C[4,6]BrN)(NC[6a]Si)(Br){2|C<3>,2|H<1>}	131.9440	0.000	1	131.9440	0.000	1	131.8210	0.030	2	131.8210	0.030	2	131.8210	0.030	2	135.4267	41.864	4
996	956	996	0:SP3_SP3_SP3	Si[4,5]	N	Si[4,5]	3:4:3:3:	4:3:4:	3:4:3:3:	C[5,6a]-3:Si[4,5]-4:C[4]-3:N-3:	Si[4,5]-4:C-3:C-4:	C[5,6a]-3:Si[4,5]-4:C[4]-3:N-3:	Si[4,5](C[5,6a]C[5,6a,6a]C[6a])(Si[4,5]C[5,6a]C[4]N)(C[4]C[6a]C[4])(NCC)	N(Si[4,5]C[5,6a]Si[4,5]C[4])(CC[6a]N)(CC3)	Si[4,5](C[5,6a]C[5,6a,6a]C[6a])(Si[4,5]C[5,6a]C[4]N)(C[4]C[6a]C[4])(NCC)	Si[4,5](C[5,6a]C[5,6a,6a]C[6a])(Si[4,5]C[5,6a]C[4]N)(C[4]C[6a]C[4])(NCC){1|H<1>,6|C<3>}	N(Si[4,5]C[5,6a]Si[4,5]C[4])(CC[6a]N)(CC3)	Si[4,5](C[5,6a]C[5,6a,6a]C[6a])(Si[4,5]C[5,6a]C[4]N)(C[4]C[6a]C[4])(NCC){1|H<1>,6|C<3>}	128.8310	0.000	1	128.8310	0.000	1	128.8310	0.000	1	128.8310	0.000	1	128.8310	0.000	1	128.8310	0.000	1
996	978	978	4:SP3_SP2_SP2	Si[4,4]	As[4]	As[4]	2:2:3:3:	4:4:	4:4:	As[4]-2:As[4]-2:N[4]-3:N[4]-3:	Si[4,4]-4:Si[4,4]-4:	Si[4,4]-4:Si[4,4]-4:	Si[4,4](As[4]Si[4,4])2(N[4]C[4]C)2	As[4](Si[4,4]As[4]N[4]2)2	As[4](Si[4,4]As[4]N[4]2)2	Si[4,4](As[4]Si[4,4])2(N[4]C[4]C)2{1|C<3>,2|N<3>}	As[4](Si[4,4]As[4]N[4]2)2{2|C<3>,4|C<4>}	As[4](Si[4,4]As[4]N[4]2)2{2|C<3>,4|C<4>}	108.6070	0.000	1	108.6070	0.000	1	108.6070	0.000	1	108.6070	0.000	1	108.6070	0.000	1	108.6070	0.000	1
996	980	980	5:SP3_SP3_SP3	Si[4,5]	N[4,5]	N[4,5]	4:4:3:2:	4:4:3:4:	4:4:3:4:	N[4,5]-4:N[4,5]-4:N[5]-3:N-2:	Si[4,5]-4:Si[4,5]-4:C[5]-3:C-4:	Si[4,5]-4:Si[4,5]-4:C[5]-3:C-4:	Si[4,5](N[4,5]Si[4,5]C[5]C)2(N[5]C[5]C)(NB[5a])	N[4,5](Si[4,5]N[4,5]N[5]N)2(C[5]C[5]H)(CC3)	N[4,5](Si[4,5]N[4,5]N[5]N)2(C[5]C[5]H)(CC3)	Si[4,5](N[4,5]Si[4,5]C[5]C)2(N[5]C[5]C)(NB[5a]){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	N[4,5](Si[4,5]N[4,5]N[5]N)2(C[5]C[5]H)(CC3){1|H<1>,2|C<3>,3|C<4>}	N[4,5](Si[4,5]N[4,5]N[5]N)2(C[5]C[5]H)(CC3){1|H<1>,2|C<3>,3|C<4>}	82.3033	0.000	1	82.3033	0.000	1	82.3033	0.000	1	82.3033	0.000	1	82.3033	0.000	1	82.3033	0.000	1
996	980	983	0:SP3_SP1_SP3	Si[4]	N[4,5]	C	4:3:3:2:	4:4:4:4:	4:2:	N[4,5]-4:C[4]-3:C-3:C-2:	Ga[4]-4:Si[4]-4:C[5]-4:C[5]-4:	Si[4]-4:C-2:	Si[4](N[4,5]Ga[4]C[5]2)(C[4]Ga[4]C)(CGaC)(CC)	N[4,5](Ga[4]C[4]CH)(Si[4]C[4]CC)(C[5]C[5]HH)2	C(Si[4]N[4,5]C[4]C)(CC)	Si[4](N[4,5]Ga[4]C[5]2)(C[4]Ga[4]C)(CGaC)(CC){3|C<4>,5|H<1>}	N[4,5](Ga[4]C[4]CH)(Si[4]C[4]CC)(C[5]C[5]HH)2{1|C<3>,4|H<1>}	C(Si[4]N[4,5]C[4]C)(CC)	104.5590	0.000	1	104.5590	0.000	1	104.5590	0.000	1	104.5590	0.000	1	104.5590	0.000	1	104.5590	0.000	1
996	996	996	0:SP3_SP3_SP3	Si[4,3x6]	Si[4,6]	Si[4,6,6]	4:5:4:4:	4:3:2:3:	4:5:4:4:	Si[4,6,6]-4:Si[4,4]-5:Si[4,6]-4:C[4x6]-4:	Si[4,3x6]-4:C[6a]-3:O[4]-2:N[6]-3:	Si[4,3x6]-4:Si[4,4]-5:Si[4]-4:C[3x6]-4:	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[4,6](Si[4,3x6]Si[4,6,6]Si[4,4]C[4x6])(C[6a]C[6,6a]C[6a])(O[4]Si[4,4])(N[6]C[6]C)	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[4,3x6](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>}	Si[4,6](Si[4,3x6]Si[4,6,6]Si[4,4]C[4x6])(C[6a]C[6,6a]C[6a])(O[4]Si[4,4])(N[6]C[6]C){1|Si<4>,1|Si<5>,1|C<4>,1|N<2>,1|O<2>,2|H<1>,2|N<3>,5|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>}	132.9240	0.000	1	132.9240	0.000	1	132.9240	0.000	1	132.9240	0.000	1	132.9240	0.000	1	113.1469	25.625	40
996	996	996	0:SP3_SP3_SP3	Si[4,4]	Si[4,4]	Si[4,4]	4:4:4:4:	4:4:4:4:	4:4:4:4:	Si[4,4]-4:Si[4,4]-4:Si[4,4]-4:C-4:	Si[4,4]-4:Si[4,4]-4:Si[4,4]-4:C-4:	Si[4,4]-4:Si[4,4]-4:Si[4,4]-4:C-4:	Si[4,4](Si[4,4]Si[4,4]2C)3(CCCH)	Si[4,4](Si[4,4]Si[4,4]Si[4]C)(Si[4,4]Si[4,4]2C)2(CCCH)	Si[4,4](Si[4,4]Si[4,4]2C)3(CCCH)	Si[4,4](Si[4,4]Si[4,4]2C)3(CCCH){4|Si<4>,4|C<4>}	Si[4,4](Si[4,4]Si[4,4]Si[4]C)(Si[4,4]Si[4,4]2C)2(CCCH){3|Si<4>,5|C<4>}	Si[4,4](Si[4,4]Si[4,4]2C)3(CCCH){4|Si<4>,4|C<4>}	111.0608	1.419	6	111.0608	2.013	6	111.0140	1.399	10	110.8233	2.067	24	110.8233	2.067	24	113.1469	25.625	40
996	996	996	0:SP3_SP3_SP3	Si[4,4]	Si[4,4]	Si[4,4]	4:4:4:4:	4:4:4:4:	4:4:4:4:	Si[4,4]-4:Si[4,4]-4:Si[4,4]-4:C-4:	Si[4,4]-4:Si[4,4]-4:Si[4,4]-4:C-4:	Si[4,4]-4:Si[4,4]-4:Si[4,4]-4:C-4:	Si[4,4](Si[4,4]Si[4,4]2C)3(CCCH)	Si[4,4](Si[4,4]Si[4,4]Si[4]C)(Si[4,4]Si[4,4]2C)2(CCCH)	Si[4,4](Si[4,4]Si[4,4]Si[4]C)(Si[4,4]Si[4,4]2C)2(CCCH)	Si[4,4](Si[4,4]Si[4,4]2C)3(CCCH){4|Si<4>,4|C<4>}	Si[4,4](Si[4,4]Si[4,4]Si[4]C)(Si[4,4]Si[4,4]2C)2(CCCH){3|Si<4>,5|C<4>}	Si[4,4](Si[4,4]Si[4,4]Si[4]C)(Si[4,4]Si[4,4]2C)2(CCCH){3|Si<4>,5|C<4>}	110.9437	0.912	4	110.9437	0.832	4	111.0140	1.399	10	110.8233	2.067	24	110.8233	2.067	24	113.1469	25.625	40
996	996	996	0:SP3_SP3_SP3	Si[4,4]	Si[4,4]	Si[4,4]	4:4:4:4:	4:4:4:4:	4:4:4:4:	Si[4,4]-4:Si[4,4]-4:Si[4,4]-4:C-4:	Si[4,4]-4:Si[4,4]-4:Si[4]-4:C-4:	Si[4,4]-4:Si[4,4]-4:Si[4,4]-4:C-4:	Si[4,4](Si[4,4]Si[4,4]Si[4]C)(Si[4,4]Si[4,4]2C)2(CCCH)	Si[4,4](Si[4,4]Si[4,4]Si[4]C)(Si[4,4]Si[4,4]2C)(Si[4]Si[4]CC)(CCCH)	Si[4,4](Si[4,4]Si[4,4]2C)3(CCCH)	Si[4,4](Si[4,4]Si[4,4]Si[4]C)(Si[4,4]Si[4,4]2C)2(CCCH){3|Si<4>,5|C<4>}	Si[4,4](Si[4,4]Si[4,4]Si[4]C)(Si[4,4]Si[4,4]2C)(Si[4]Si[4]CC)(CCCH){2|Si<4>,4|C<4>}	Si[4,4](Si[4,4]Si[4,4]2C)3(CCCH){4|Si<4>,4|C<4>}	110.6871	1.625	14	110.6871	2.640	14	110.6871	2.640	14	110.8233	2.067	24	110.8233	2.067	24	113.1469	25.625	40
996	996	996	0:SP3_SP3_SP3	Si[4,4]	Si[4,4]	Si[4]	4:4:4:4:	4:4:4:4:	4:4:4:4:	Si[4,4]-4:Si[4,4]-4:Si[4]-4:C-4:	Si[4,4]-4:Si[4,4]-4:Si[4,4]-4:C-4:	Si[4,4]-4:Si[4]-4:C-4:C-4:	Si[4,4](Si[4,4]Si[4,4]Si[4]C)(Si[4,4]Si[4,4]2C)(Si[4]Si[4]CC)(CCCH)	Si[4,4](Si[4,4]Si[4,4]Si[4]C)(Si[4,4]Si[4,4]2C)2(CCCH)	Si[4](Si[4,4]Si[4,4]2C)(Si[4]Si[4,4]CC)(CCCH)2	Si[4,4](Si[4,4]Si[4,4]Si[4]C)(Si[4,4]Si[4,4]2C)(Si[4]Si[4]CC)(CCCH){2|Si<4>,4|C<4>}	Si[4,4](Si[4,4]Si[4,4]Si[4]C)(Si[4,4]Si[4,4]2C)2(CCCH){3|Si<4>,5|C<4>}	Si[4](Si[4,4]Si[4,4]2C)(Si[4]Si[4,4]CC)(CCCH)2{2|Si<4>,2|C<4>}	114.2844	0.896	14	114.2844	0.803	14	114.2844	0.803	14	114.2844	0.803	14	114.2844	0.803	14	113.1469	25.625	40
996	996	996	0:SP3_SP3_SP3	Si[4,6,6]	Si[4,3x6]	Si[4]	4:5:4:4:	4:5:4:4:	4:3:2:3:	Si[4,3x6]-4:Si[4,4]-5:Si[4]-4:C[3x6]-4:	Si[4,6,6]-4:Si[4,4]-5:Si[4,6]-4:C[4x6]-4:	Si[4,6,6]-4:C[6a]-3:O[4]-2:N-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)	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](Si[4,6,6]Si[4,3x6]Si[4,4]C[3x6])(C[6a]C[6,6a]C[6a])(O[4]Si[4,4])(NCC)	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>}	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>}	Si[4](Si[4,6,6]Si[4,3x6]Si[4,4]C[3x6])(C[6a]C[6,6a]C[6a])(O[4]Si[4,4])(NCC){1|Si<4>,1|Si<5>,1|C<4>,1|O<2>,2|H<1>,2|N<3>,5|C<3>}	133.2110	0.000	1	133.2110	0.000	1	133.2110	0.000	1	133.2110	0.000	1	133.2110	0.000	1	113.1469	25.625	40
996	996	996	4:SP3_SP3_SP3	Si[3x4]	Si[4,4]	Si[4,4]	4:4:4:3:	4:3:4:4:	4:3:4:4:	Si[4,4]-4:Si[4,4]-4:Si[4,4]-4:C[6a]-3:	Si[3x4]-4:P[3x4]-3:C-4:C-4:	Si[3x4]-4:P[3x4]-3:C-4:C-4:	Si[3x4](Si[4,4]P[3x4]CC)3(C[6a]C[6a]2)	Si[4,4](Si[3x4]Si[4,4]2C[6a])(P[3x4]Si[4,4]2)(CCCH)2	Si[4,4](Si[3x4]Si[4,4]2C[6a])(P[3x4]Si[4,4]2)(CCCH)2	Si[3x4](Si[4,4]P[3x4]CC)3(C[6a]C[6a]2){2|C<3>,2|H<1>}	Si[4,4](Si[3x4]Si[4,4]2C[6a])(P[3x4]Si[4,4]2)(CCCH)2{2|C<3>,4|C<4>}	Si[4,4](Si[3x4]Si[4,4]2C[6a])(P[3x4]Si[4,4]2)(CCCH)2{2|C<3>,4|C<4>}	82.0363	0.458	3	82.0363	0.210	3	82.0363	0.210	3	82.0363	0.210	3	82.0363	0.210	3	87.7960	23.555	126
996	996	996	4:SP3_SP3_SP3	Si[4,4]	Si[4,4]	Si[4,4]	4:4:4:4:	4:4:4:4:	4:4:4:4:	Si[4,4]-4:Si[4,4]-4:Si[4,4]-4:C-4:	Si[4,4]-4:Si[4,4]-4:Si[4,4]-4:C-4:	Si[4,4]-4:Si[4,4]-4:Si[4,4]-4:C-4:	Si[4,4](Si[4,4]Si[4,4]2C)3(CCCH)	Si[4,4](Si[4,4]Si[4,4]2C)3(CCCH)	Si[4,4](Si[4,4]Si[4,4]2C)3(CCCH)	Si[4,4](Si[4,4]Si[4,4]2C)3(CCCH){4|Si<4>,4|C<4>}	Si[4,4](Si[4,4]Si[4,4]2C)3(CCCH){4|Si<4>,4|C<4>}	Si[4,4](Si[4,4]Si[4,4]2C)3(CCCH){4|Si<4>,4|C<4>}	90.4780	7.181	9	90.4780	51.567	9	88.6396	13.317	37	88.5738	8.848	64	88.5738	8.848	64	87.7960	23.555	126
996	996	996	4:SP3_SP3_SP3	Si[4,4]	Si[4,4]	Si[4,4]	4:4:4:4:	4:4:4:4:	4:4:4:4:	Si[4,4]-4:Si[4,4]-4:Si[4,4]-4:C-4:	Si[4,4]-4:Si[4,4]-4:Si[4,4]-4:C-4:	Si[4,4]-4:Si[4,4]-4:Si[4,4]-4:C-4:	Si[4,4](Si[4,4]Si[4,4]2C)3(CCCH)	Si[4,4](Si[4,4]Si[4,4]Si[4]C)(Si[4,4]Si[4,4]2C)2(CCCH)	Si[4,4](Si[4,4]Si[4,4]2C)3(CCCH)	Si[4,4](Si[4,4]Si[4,4]2C)3(CCCH){4|Si<4>,4|C<4>}	Si[4,4](Si[4,4]Si[4,4]Si[4]C)(Si[4,4]Si[4,4]2C)2(CCCH){3|Si<4>,5|C<4>}	Si[4,4](Si[4,4]Si[4,4]2C)3(CCCH){4|Si<4>,4|C<4>}	88.1654	1.211	14	88.1654	1.467	14	88.6396	13.317	37	88.5738	8.848	64	88.5738	8.848	64	87.7960	23.555	126
996	996	996	4:SP3_SP3_SP3	Si[4,4]	Si[4,4]	Si[4,4]	4:4:4:4:	4:4:4:4:	4:4:4:4:	Si[4,4]-4:Si[4,4]-4:Si[4,4]-4:C-4:	Si[4,4]-4:Si[4,4]-4:Si[4,4]-4:C-4:	Si[4,4]-4:Si[4,4]-4:Si[4,4]-4:C-4:	Si[4,4](Si[4,4]Si[4,4]Si[4]C)(Si[4,4]Si[4,4]2C)2(CCCH)	Si[4,4](Si[4,4]Si[4,4]Si[4]C)(Si[4,4]Si[4,4]2C)2(CCCH)	Si[4,4](Si[4,4]Si[4,4]2C)3(CCCH)	Si[4,4](Si[4,4]Si[4,4]Si[4]C)(Si[4,4]Si[4,4]2C)2(CCCH){3|Si<4>,5|C<4>}	Si[4,4](Si[4,4]Si[4,4]Si[4]C)(Si[4,4]Si[4,4]2C)2(CCCH){3|Si<4>,5|C<4>}	Si[4,4](Si[4,4]Si[4,4]2C)3(CCCH){4|Si<4>,4|C<4>}	87.9319	0.745	14	87.9319	0.555	14	88.6396	13.317	37	88.5738	8.848	64	88.5738	8.848	64	87.7960	23.555	126
996	996	996	4:SP3_SP3_SP3	Si[4,4]	Si[4,4]	Si[4,4]	4:4:4:4:	4:4:4:4:	4:4:4:4:	Si[4,4]-4:Si[4,4]-4:Si[4,4]-4:C-4:	Si[4,4]-4:Si[4,4]-4:Si[4]-4:C-4:	Si[4,4]-4:Si[4,4]-4:Si[4,4]-4:C-4:	Si[4,4](Si[4,4]Si[4,4]Si[4]C)(Si[4,4]Si[4,4]2C)2(CCCH)	Si[4,4](Si[4,4]Si[4,4]Si[4]C)(Si[4,4]Si[4,4]2C)(Si[4]Si[4]CC)(CCCH)	Si[4,4](Si[4,4]Si[4,4]Si[4]C)(Si[4,4]Si[4,4]2C)2(CCCH)	Si[4,4](Si[4,4]Si[4,4]Si[4]C)(Si[4,4]Si[4,4]2C)2(CCCH){3|Si<4>,5|C<4>}	Si[4,4](Si[4,4]Si[4,4]Si[4]C)(Si[4,4]Si[4,4]2C)(Si[4]Si[4]CC)(CCCH){2|Si<4>,4|C<4>}	Si[4,4](Si[4,4]Si[4,4]Si[4]C)(Si[4,4]Si[4,4]2C)2(CCCH){3|Si<4>,5|C<4>}	88.4663	2.150	14	88.4663	4.621	14	88.4663	4.621	14	88.5738	8.848	64	88.5738	8.848	64	87.7960	23.555	126
996	996	996	4:SP3_SP3_SP3	Si[4,4]	Si[4,4]	Si[4,4]	4:4:4:4:	4:4:4:4:	4:4:4:4:	Si[4,4]-4:Si[4,4]-4:Si[4]-4:C-4:	Si[4,4]-4:Si[4,4]-4:Si[4]-4:C-4:	Si[4,4]-4:Si[4,4]-4:Si[4,4]-4:C-4:	Si[4,4](Si[4,4]Si[4,4]Si[4]C)(Si[4,4]Si[4,4]2C)(Si[4]Si[4]CC)(CCCH)	Si[4,4](Si[4,4]Si[4,4]Si[4]C)(Si[4,4]Si[4,4]2C)(Si[4]Si[4]CC)(CCCH)	Si[4,4](Si[4,4]Si[4,4]Si[4]C)(Si[4,4]Si[4,4]2C)2(CCCH)	Si[4,4](Si[4,4]Si[4,4]Si[4]C)(Si[4,4]Si[4,4]2C)(Si[4]Si[4]CC)(CCCH){2|Si<4>,4|C<4>}	Si[4,4](Si[4,4]Si[4,4]Si[4]C)(Si[4,4]Si[4,4]2C)(Si[4]Si[4]CC)(CCCH){2|Si<4>,4|C<4>}	Si[4,4](Si[4,4]Si[4,4]Si[4]C)(Si[4,4]Si[4,4]2C)2(CCCH){3|Si<4>,5|C<4>}	88.5023	1.209	13	88.5023	1.461	13	88.5023	1.461	13	88.5738	8.848	64	88.5738	8.848	64	87.7960	23.555	126
996	996	996	4:SP3_SP3_SP3	Si[4,4]	Si[4,4]	Si[4]	4:4:4:4:	4:4:4:4:	4:4:4:4:	Si[4,4]-4:Si[4,4]-4:Si[4]-4:C-4:	Si[4,4]-4:Si[4,4]-4:Si[4]-4:C-4:	Si[4,4]-4:Si[4]-4:C-4:C-4:	Si[4,4](Si[4,4]Si[4,4]Si[4]C)(Si[4,4]Si[4,4]2C)(Si[4]Si[4]CC)(CCCH)	Si[4,4](Si[4,4]Si[4,4]Si[4]C)(Si[4,4]Si[4,4]2C)(Si[4]Si[4]CC)(CCCH)	Si[4](Si[4,4]Si[4,4]2C)(Si[4]Si[4,4]CC)(CCCH)2	Si[4,4](Si[4,4]Si[4,4]Si[4]C)(Si[4,4]Si[4,4]2C)(Si[4]Si[4]CC)(CCCH){2|Si<4>,4|C<4>}	Si[4,4](Si[4,4]Si[4,4]Si[4]C)(Si[4,4]Si[4,4]2C)(Si[4]Si[4]CC)(CCCH){2|Si<4>,4|C<4>}	Si[4](Si[4,4]Si[4,4]2C)(Si[4]Si[4,4]CC)(CCCH)2{2|Si<4>,2|C<4>}	88.7992	1.803	14	88.7992	3.251	14	88.7992	3.251	14	88.7992	3.251	14	88.7992	3.251	14	87.7960	23.555	126
996	996	996	4:SP3_SP3_SP3	Si[4,4]	Si[4x4]	Si[4x4]	4:4:3:1:	4:4:4:3:	4:4:4:3:	Si[4x4]-4:Si[4x4]-4:C[6a]-3:H-1:	Si[4x4]-4:Si[4x4]-4:Si[4,4]-4:C[6a]-3:	Si[4x4]-4:Si[4x4]-4:Si[4,4]-4:C[6a]-3:	Si[4,4](Si[4x4]Si[4x4]2C[6a])2(C[6a]C[6a]2)(H)	Si[4x4](Si[4x4]Si[4,4]Si[4x4]C[6a])2(Si[4,4]Si[4x4]C[6a]H)(C[6a]C[6a]2)	Si[4x4](Si[4x4]Si[4,4]Si[4x4]C[6a])2(Si[4,4]Si[4x4]C[6a]H)(C[6a]C[6a]2)	Si[4,4](Si[4x4]Si[4x4]2C[6a])2(C[6a]C[6a]2)(H){1|Si<4>,2|C<4>,8|C<3>}	Si[4x4](Si[4x4]Si[4,4]Si[4x4]C[6a])2(Si[4,4]Si[4x4]C[6a]H)(C[6a]C[6a]2){10|C<3>,1|H<1>,2|C<4>}	Si[4x4](Si[4x4]Si[4,4]Si[4x4]C[6a])2(Si[4,4]Si[4x4]C[6a]H)(C[6a]C[6a]2){10|C<3>,1|H<1>,2|C<4>}	76.3846	0.658	2	76.3846	0.433	2	76.3846	0.433	2	76.3846	0.433	2	76.2942	0.241	3	87.7960	23.555	126
996	996	996	4:SP3_SP3_SP3	Si[4,4]	Si[4x4]	Si[4x4]	4:4:3:3:	4:3:3:3:	4:3:3:3:	Si[4x4]-4:Si[4x4]-4:C[6a]-3:C[6a]-3:	Si[4,4]-4:Si[4x4]-3:Si[4x4]-3:C[6a]-3:	Si[4,4]-4:Si[4x4]-3:Si[4x4]-3:C[6a]-3:	Si[4,4](Si[4x4]Si[4x4]2C[6a])2(C[6a]C[6a]2)2	Si[4x4](Si[4,4]Si[4x4]C[6a]2)(Si[4x4]Si[4x4]B[4,4])2(C[6a]C[6a]2)	Si[4x4](Si[4,4]Si[4x4]C[6a]2)(Si[4x4]Si[4x4]B[4,4])2(C[6a]C[6a]2)	Si[4,4](Si[4x4]Si[4x4]2C[6a])2(C[6a]C[6a]2)2{1|B<3>,4|C<4>,8|C<3>}	Si[4x4](Si[4,4]Si[4x4]C[6a]2)(Si[4x4]Si[4x4]B[4,4])2(C[6a]C[6a]2){1|N<3>,2|C<4>,7|C<3>}	Si[4x4](Si[4,4]Si[4x4]C[6a]2)(Si[4x4]Si[4x4]B[4,4])2(C[6a]C[6a]2){1|N<3>,2|C<4>,7|C<3>}	76.1133	0.000	1	76.1133	0.000	1	76.1133	0.000	1	76.1133	0.000	1	76.2942	0.241	3	87.7960	23.555	126
996	996	996	4:SP3_SP3_SP3	Si[4,5]	Si[4]	Si[4]	4:4:4:4:	4:4:1:1:	4:4:1:1:	Si[4]-4:Si[4]-4:C[5]-4:C[5]-4:	Si[4,5]-4:Si[4,5]-4:Cl-1:Cl-1:	Si[4,5]-4:Si[4,5]-4:Cl-1:Cl-1:	Si[4,5](Si[4]Si[4,5]Cl2)2(C[5]C[5]Si2)2	Si[4](Si[4,5]Si[4]C[5]2)2(Cl)2	Si[4](Si[4,5]Si[4]C[5]2)2(Cl)2	Si[4,5](Si[4]Si[4,5]Cl2)2(C[5]C[5]Si2)2{2|C<4>,4|H<1>}	Si[4](Si[4,5]Si[4]C[5]2)2(Cl)2{2|Cl<1>,8|Si<4>,4|C<4>}	Si[4](Si[4,5]Si[4]C[5]2)2(Cl)2{2|Cl<1>,8|Si<4>,4|C<4>}	73.6454	0.000	1	73.6454	0.000	1	73.6454	0.000	1	73.6454	0.000	1	73.6454	0.000	1	87.7960	23.555	126
996	996	996	4:SP3_SP3_SP3	Si[4]	Si[4,4]	Si[4]	4:4:4:4:	4:4:4:4:	4:4:4:4:	Si[4,4]-4:Si[4]-4:C-4:C-4:	Si[4,4]-4:Si[4,4]-4:Si[4]-4:C-4:	Si[4,4]-4:Si[4]-4:C-4:C-4:	Si[4](Si[4,4]Si[4,4]2C)(Si[4]Si[4,4]CC)(CCCH)2	Si[4,4](Si[4,4]Si[4,4]Si[4]C)(Si[4,4]Si[4,4]2C)(Si[4]Si[4]CC)(CCCH)	Si[4](Si[4,4]Si[4,4]2C)(Si[4]Si[4,4]CC)(CCCH)2	Si[4](Si[4,4]Si[4,4]2C)(Si[4]Si[4,4]CC)(CCCH)2{2|Si<4>,2|C<4>}	Si[4,4](Si[4,4]Si[4,4]Si[4]C)(Si[4,4]Si[4,4]2C)(Si[4]Si[4]CC)(CCCH){2|Si<4>,4|C<4>}	Si[4](Si[4,4]Si[4,4]2C)(Si[4]Si[4,4]CC)(CCCH)2{2|Si<4>,2|C<4>}	88.3802	1.122	14	88.3802	1.259	14	88.3802	1.259	14	88.3802	1.259	14	88.3802	1.259	14	87.7960	23.555	126
996	996	996	4:SP3_SP3_SP3	Si[4]	Si[4,5]	Si[4,5]	4:4:1:1:	4:4:4:4:	4:4:4:4:	Si[4,5]-4:Si[4,5]-4:Cl-1:Cl-1:	Si[4]-4:Si[4]-4:C[5]-4:C[5]-4:	Si[4]-4:Si[4]-4:C[5]-4:C[5]-4:	Si[4](Si[4,5]Si[4]C[5]2)2(Cl)2	Si[4,5](Si[4]Si[4,5]Cl2)2(C[5]C[5]Si2)2	Si[4,5](Si[4]Si[4,5]Cl2)2(C[5]C[5]Si2)2	Si[4](Si[4,5]Si[4]C[5]2)2(Cl)2{2|Cl<1>,8|Si<4>,4|C<4>}	Si[4,5](Si[4]Si[4,5]Cl2)2(C[5]C[5]Si2)2{2|C<4>,4|H<1>}	Si[4,5](Si[4]Si[4,5]Cl2)2(C[5]C[5]Si2)2{2|C<4>,4|H<1>}	106.3550	0.000	1	106.3550	0.000	1	106.3550	0.000	1	106.3550	0.000	1	106.3550	0.000	1	87.7960	23.555	126
996	996	996	4:SP3_SP3_SP3	Si[4]	Si[4]	Si[4]	4:4:3:3:	4:4:4:4:	4:4:4:4:	Si[4]-4:Si[4]-4:C[6a]-3:C[6a]-3:	Si[4]-4:Si[4]-4:C-4:C-4:	Si[4]-4:Si[4]-4:C-4:C-4:	Si[4](Si[4]Si[4]CC)2(C[6a]C[6a]2)2	Si[4](Si[4]C[6a]2Si[4])(Si[4]Si[4]CC)(CC3)2	Si[4](Si[4]C[6a]2Si[4])(Si[4]Si[4]CC)(CC3)2	Si[4](Si[4]Si[4]CC)2(C[6a]C[6a]2)2{2|C<4>,4|C<3>,4|H<1>}	Si[4](Si[4]C[6a]2Si[4])(Si[4]Si[4]CC)(CC3)2{2|C<4>,4|C<3>}	Si[4](Si[4]C[6a]2Si[4])(Si[4]Si[4]CC)(CC3)2{2|C<4>,4|C<3>}	90.1316	0.000	1	90.1316	0.000	1	90.1316	0.000	1	90.1316	0.000	1	90.0355	7.618	12	87.7960	23.555	126
996	996	996	4:SP3_SP3_SP3	Si[4]	Si[4]	Si[4]	4:4:4:1:	4:4:4:4:	4:4:4:4:	Si[4]-4:Si[4]-4:Si-4:Br-1:	Si[4]-4:Si[4]-4:Si-4:Si-4:	Si[4]-4:Si[4]-4:Si-4:Si-4:	Si[4](Si[4]Si[4]Si2)2(SiC3)(Br)	Si[4](Si[4]Si[4]BrSi)2(SiC3)2	Si[4](Si[4]Si[4]BrSi)2(SiC3)2	Si[4](Si[4]Si[4]Si2)2(SiC3)(Br){1|Br<1>,1|Si<4>}	Si[4](Si[4]Si[4]BrSi)2(SiC3)2{2|Si<4>}	Si[4](Si[4]Si[4]BrSi)2(SiC3)2{2|Si<4>}	93.6680	0.000	1	93.6680	0.000	1	93.6680	0.000	1	93.6680	0.000	1	90.0355	7.618	12	87.7960	23.555	126
996	996	996	4:SP3_SP3_SP3	Si[4]	Si[4]	Si[4]	4:4:4:4:	4:3:4:4:	4:3:4:4:	Si[4]-4:Si[4]-4:C-4:C-4:	Si[4]-4:Ge[4]-3:Si-4:Si-4:	Si[4]-4:Ge[4]-3:Si-4:Si-4:	Si[4](Si[4]Ge[4]Si2)2(CH3)2	Si[4](Si[4]Si[4]CC)(Ge[4]Si[4]Ti)(SiC3)2	Si[4](Si[4]Si[4]CC)(Ge[4]Si[4]Ti)(SiC3)2	Si[4](Si[4]Ge[4]Si2)2(CH3)2{1|Ti<12>}	Si[4](Si[4]Si[4]CC)(Ge[4]Si[4]Ti)(SiC3)2{2|Si<4>}	Si[4](Si[4]Si[4]CC)(Ge[4]Si[4]Ti)(SiC3)2{2|Si<4>}	91.5375	0.093	2	91.5375	0.009	2	91.5375	0.009	2	88.9985	19.343	3	90.0355	7.618	12	87.7960	23.555	126
996	996	996	4:SP3_SP3_SP3	Si[4]	Si[4]	Si[4]	4:4:4:4:	4:3:4:4:	4:3:4:4:	Si[4]-4:Si[4]-4:Si-4:Si-4:	Si[4]-4:Si[4]-3:C-4:C-4:	Si[4]-4:Si[4]-3:C-4:C-4:	Si[4](Si[4]Si[4]CC)2(SiC3)2	Si[4](Si[4]Si[4]Si2)(Si[4]Si[4]Si)(CH3)2	Si[4](Si[4]Si[4]Si2)(Si[4]Si[4]Si)(CH3)2	Si[4](Si[4]Si[4]CC)2(SiC3)2{1|Si<4>}	Si[4](Si[4]Si[4]Si2)(Si[4]Si[4]Si)(CH3)2{2|C<4>}	Si[4](Si[4]Si[4]Si2)(Si[4]Si[4]Si)(CH3)2{2|C<4>}	83.9206	0.000	1	83.9206	0.000	1	83.9206	0.000	1	88.9985	19.343	3	90.0355	7.618	12	87.7960	23.555	126
996	996	996	4:SP3_SP3_SP3	Si[4]	Si[4]	Si[4]	4:4:4:4:	4:4:3:3:	4:4:4:4:	Si[4]-4:Si[4]-4:C-4:C-4:	Si[4]-4:Si[4]-4:C[6a]-3:C[6a]-3:	Si[4]-4:Si[4]-4:C-4:C-4:	Si[4](Si[4]C[6a]2Si[4])(Si[4]Si[4]CC)(CC3)2	Si[4](Si[4]Si[4]CC)2(C[6a]C[6a]2)2	Si[4](Si[4]Si[4]CC)2(CCCH)2	Si[4](Si[4]C[6a]2Si[4])(Si[4]Si[4]CC)(CC3)2{2|C<4>,4|C<3>}	Si[4](Si[4]Si[4]CC)2(C[6a]C[6a]2)2{2|C<4>,4|C<3>,4|H<1>}	Si[4](Si[4]Si[4]CC)2(CCCH)2{2|C<3>}	90.2706	0.000	1	90.2706	0.000	1	90.2706	0.000	1	90.2706	0.000	1	90.0355	7.618	12	87.7960	23.555	126
996	996	996	4:SP3_SP3_SP3	Si[4]	Si[4]	Si[4]	4:4:4:4:	4:4:4:1:	4:4:4:1:	Si[4]-4:Si[4]-4:Si-4:Si-4:	Si[4]-4:Si[4]-4:Si-4:Br-1:	Si[4]-4:Si[4]-4:Si-4:Br-1:	Si[4](Si[4]Si[4]BrSi)2(SiC3)2	Si[4](Si[4]Si[4]Si2)2(SiC3)(Br)	Si[4](Si[4]Si[4]Si2)2(SiC3)(Br)	Si[4](Si[4]Si[4]BrSi)2(SiC3)2{2|Si<4>}	Si[4](Si[4]Si[4]Si2)2(SiC3)(Br){1|Br<1>,1|Si<4>}	Si[4](Si[4]Si[4]Si2)2(SiC3)(Br){1|Br<1>,1|Si<4>}	86.3320	0.000	1	86.3320	0.000	1	86.3320	0.000	1	86.3320	0.000	1	90.0355	7.618	12	87.7960	23.555	126
996	996	996	4:SP3_SP3_SP3	Si[4]	Si[4]	Si[4]	4:4:4:4:	4:4:4:4:	4:4:4:4:	Si[4]-4:Si[4]-4:C-4:C-4:	Si[3,4]-4:Si[4]-4:Si-4:Si-4:	Si[3,4]-4:Si[4]-4:Si-4:Si-4:	Si[4](Si[4]Si[3,4]Si2)2(CH3)2	Si[4](Si[3,4]Si[3]2Si[4])(Si[4]Si[4]CC)(SiC3)2	Si[4](Si[3,4]Si[3]2Si[4])(Si[4]Si[4]CC)(SiC3)2	Si[4](Si[4]Si[3,4]Si2)2(CH3)2{2|Si<4>}	Si[4](Si[3,4]Si[3]2Si[4])(Si[4]Si[4]CC)(SiC3)2{6|Si<4>}	Si[4](Si[3,4]Si[3]2Si[4])(Si[4]Si[4]CC)(SiC3)2{6|Si<4>}	93.5736	0.000	1	93.5736	0.000	1	93.5736	0.000	1	90.6058	3.320	5	90.0355	7.618	12	87.7960	23.555	126
996	996	996	4:SP3_SP3_SP3	Si[4]	Si[4]	Si[4]	4:4:4:4:	4:4:4:4:	4:4:4:4:	Si[4]-4:Si[4]-4:C-4:C-4:	Si[4]-4:Si[4]-4:C-4:C-4:	Si[4]-4:Si[4]-4:C-4:C-4:	Si[4](Si[4]Si[4]CC)2(CCCH)2	Si[4](Si[4]C[6a]2Si[4])(Si[4]Si[4]CC)(CC3)2	Si[4](Si[4]C[6a]2Si[4])(Si[4]Si[4]CC)(CC3)2	Si[4](Si[4]Si[4]CC)2(CCCH)2{2|C<3>}	Si[4](Si[4]C[6a]2Si[4])(Si[4]Si[4]CC)(CC3)2{2|C<4>,4|C<3>}	Si[4](Si[4]C[6a]2Si[4])(Si[4]Si[4]CC)(CC3)2{2|C<4>,4|C<3>}	89.3272	0.000	1	89.3272	0.000	1	89.3272	0.000	1	90.6058	3.320	5	90.0355	7.618	12	87.7960	23.555	126
996	996	996	4:SP3_SP3_SP3	Si[4]	Si[4]	Si[4]	4:4:4:4:	4:4:4:4:	4:4:4:4:	Si[4]-4:Si[4]-4:C-4:C-4:	Si[4]-4:Si[4]-4:Si-4:Si-4:	Si[4]-4:Si[4]-4:Si-4:Si-4:	Si[4](Si[4]Si[4]Si2)2(CH3)2	Si[4](Si[4]Si[4]CC)2(SiC3)2	Si[4](Si[4]Si[4]CC)2(SiC3)2	Si[4](Si[4]Si[4]Si2)2(CH3)2{2|C<4>}	Si[4](Si[4]Si[4]CC)2(SiC3)2{2|Si<4>}	Si[4](Si[4]Si[4]CC)2(SiC3)2{2|Si<4>}	90.9681	0.000	1	90.9681	0.000	1	90.9681	0.000	1	90.6058	3.320	5	90.0355	7.618	12	87.7960	23.555	126
996	996	996	4:SP3_SP3_SP3	Si[4]	Si[4]	Si[4]	4:4:4:4:	4:4:4:4:	4:4:4:4:	Si[4]-4:Si[4]-4:Si-4:Si-4:	Ge[4,4]-4:Si[4]-4:C-4:C-4:	Ge[4,4]-4:Si[4]-4:Si-4:Si-4:	Si[4](Si[4]Ge[4,4]Si2)(Si[4]Ge[4,4]CC)(SiC3)2	Si[4](Ge[4,4]Si[4]2C[4])(Si[4]Si[4]Si2)(CH3)2	Si[4](Ge[4,4]Si[4]2C[4])(Si[4]Si[4]Si2)(SiC3)2	Si[4](Si[4]Ge[4,4]Si2)(Si[4]Ge[4,4]CC)(SiC3)2{1|Si<4>,1|C<3>}	Si[4](Ge[4,4]Si[4]2C[4])(Si[4]Si[4]Si2)(CH3)2{2|Si<4>,2|C<3>,2|C<4>}	Si[4](Ge[4,4]Si[4]2C[4])(Si[4]Si[4]Si2)(SiC3)2{2|C<3>,4|C<4>}	90.1280	0.000	1	90.1280	0.000	1	90.1280	0.000	1	90.6058	3.320	5	90.0355	7.618	12	87.7960	23.555	126
996	996	996	4:SP3_SP3_SP3	Si[4]	Si[4]	Si[4]	4:4:4:4:	4:4:4:4:	4:4:4:4:	Si[4]-4:Si[4]-4:Si-4:Si-4:	Si[4]-4:Si[4]-4:C-4:C-4:	Si[4]-4:Si[4]-4:C-4:C-4:	Si[4](Si[4]Si[4]CC)2(SiC3)2	Si[4](Si[4]Si[4]Si2)2(CH3)2	Si[4](Si[4]Si[4]Si2)2(CH3)2	Si[4](Si[4]Si[4]CC)2(SiC3)2{2|Si<4>}	Si[4](Si[4]Si[4]Si2)2(CH3)2{2|C<4>}	Si[4](Si[4]Si[4]Si2)2(CH3)2{2|C<4>}	89.0319	0.000	1	89.0319	0.000	1	89.0319	0.000	1	90.6058	3.320	5	90.0355	7.618	12	87.7960	23.555	126
996	996	996	4:SP3_SP3_SP3	Si[4x4]	Si[4x4]	Si[4,4]	4:4:4:3:	4:4:4:3:	4:4:3:1:	Si[4x4]-4:Si[4x4]-4:Si[4,4]-4:C[6a]-3:	Si[4x4]-4:Si[4x4]-4:Si[4,4]-4:C[6a]-3:	Si[4x4]-4:Si[4x4]-4:C[6a]-3:H-1:	Si[4x4](Si[4x4]Si[4,4]Si[4x4]C[6a])2(Si[4,4]Si[4x4]C[6a]H)(C[6a]C[6a]2)	Si[4x4](Si[4x4]Si[4,4]Si[4x4]C[6a])2(Si[4,4]Si[4x4]C[6a]H)(C[6a]C[6a]2)	Si[4,4](Si[4x4]Si[4x4]2C[6a])2(C[6a]C[6a]2)(H)	Si[4x4](Si[4x4]Si[4,4]Si[4x4]C[6a])2(Si[4,4]Si[4x4]C[6a]H)(C[6a]C[6a]2){10|C<3>,1|H<1>,2|C<4>}	Si[4x4](Si[4x4]Si[4,4]Si[4x4]C[6a])2(Si[4,4]Si[4x4]C[6a]H)(C[6a]C[6a]2){10|C<3>,1|H<1>,2|C<4>}	Si[4,4](Si[4x4]Si[4x4]2C[6a])2(C[6a]C[6a]2)(H){1|Si<4>,2|C<4>,8|C<3>}	90.4215	4.674	8	90.4215	21.850	8	90.4215	21.850	8	90.4215	21.850	8	90.4215	21.850	8	87.7960	23.555	126
996	996	996	4:SP3_SP3_SP3	Si[4x4]	Si[4x4]	Si[4x4]	4:4:3:4:	4:4:3:4:	4:4:3:4:	Si[4x4]-4:Si[4x4]-4:Si[4,4]-3:C-4:	Si[4x4]-4:Si[4x4]-4:Si[4,4]-3:C-4:	Si[4x4]-4:Si[4x4]-4:Si[4,4]-3:C-4:	Si[4x4](Si[4x4]Si[4,4]Si[4x4]C)2(Si[4,4]Si[4x4]Si[5])(CC3)	Si[4x4](Si[4x4]Si[4,4]Si[4x4]C)2(Si[4,4]Si[4x4]Si[5])(CC3)	Si[4x4](Si[4x4]Si[4,4]Si[4x4]C)2(Si[4,4]Si[4x4]Si[5])(CC3)	Si[4x4](Si[4x4]Si[4,4]Si[4x4]C)2(Si[4,4]Si[4x4]Si[5])(CC3){1|Si<3>,3|C<4>}	Si[4x4](Si[4x4]Si[4,4]Si[4x4]C)2(Si[4,4]Si[4x4]Si[5])(CC3){1|Si<3>,3|C<4>}	Si[4x4](Si[4x4]Si[4,4]Si[4x4]C)2(Si[4,4]Si[4x4]Si[5])(CC3){1|Si<3>,3|C<4>}	75.8184	0.367	2	75.8184	0.135	2	75.8184	0.135	2	75.8184	0.135	2	75.7125	0.115	6	87.7960	23.555	126
996	996	996	4:SP3_SP3_SP3	Si[4x4]	Si[4x4]	Si[4x4]	4:4:4:3:	4:4:4:3:	4:4:4:3:	Si[4x4]-4:Si[4x4]-4:Si[4,4]-4:C[6a]-3:	Si[4x4]-4:Si[4x4]-4:Si[4,4]-4:C[6a]-3:	Si[4x4]-4:Si[4x4]-4:Si[4,4]-4:C[6a]-3:	Si[4x4](Si[4x4]Si[4,4]Si[4x4]C[6a])2(Si[4,4]Si[4x4]C[6a]H)(C[6a]C[6a]2)	Si[4x4](Si[4x4]Si[4,4]Si[4x4]C[6a])2(Si[4,4]Si[4x4]C[6a]H)(C[6a]C[6a]2)	Si[4x4](Si[4x4]Si[4,4]Si[4x4]C[6a])2(Si[4,4]Si[4x4]C[6a]H)(C[6a]C[6a]2)	Si[4x4](Si[4x4]Si[4,4]Si[4x4]C[6a])2(Si[4,4]Si[4x4]C[6a]H)(C[6a]C[6a]2){10|C<3>,1|H<1>,2|C<4>}	Si[4x4](Si[4x4]Si[4,4]Si[4x4]C[6a])2(Si[4,4]Si[4x4]C[6a]H)(C[6a]C[6a]2){10|C<3>,1|H<1>,2|C<4>}	Si[4x4](Si[4x4]Si[4,4]Si[4x4]C[6a])2(Si[4,4]Si[4x4]C[6a]H)(C[6a]C[6a]2){10|C<3>,1|H<1>,2|C<4>}	75.6595	0.369	4	75.6595	0.136	4	75.6595	0.136	4	75.6595	0.136	4	75.7125	0.115	6	87.7960	23.555	126
997	58	727	5:SP3_SP2_SP3	Se[5]	S[5]	C[5,6a]	3:3:	2:2:2:	3:3:2:	C[5,6a]-3:S[5]-3:	Se[5]-2:N[5]-2:N-2:	C[5,6a]-3:C[6a]-3:Se[5]-2:	Se[5](C[5,6a]C[5,6a]C[6a])(S[5]N[5]N)	S[5](Se[5]C[5,6a])(N[5]C[5,6a])(NP)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]F)(Se[5]S[5])	Se[5](C[5,6a]C[5,6a]C[6a])(S[5]N[5]N){1|F<1>,2|C<3>}	S[5](Se[5]C[5,6a])(N[5]C[5,6a])(NP){2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]F)(Se[5]S[5]){1|C<3>,1|F<1>,1|H<1>,1|N<2>}	85.6972	0.000	1	85.6972	0.000	1	85.6972	0.000	1	85.6972	0.000	1	85.6972	0.000	1	85.6972	0.000	1
997	98	997	5:SP3_SP3_SP3	Se[5]	As[5]	Se[5]	3:2:	2:2:1:	6:2:	As[5]-3:Se[5]-2:	Se[5]-2:Se[5]-2:Se-1:	In[3x5]-6:Se[5]-2:	Se[5](As[5]Se[5]Se)(Se[5]In[3x5])	As[5](Se[5]In[3x5])(Se[5]Se[5])(Se)	Se[5](In[3x5]Se[5]N[5]4)(Se[5]As[5])	Se[5](As[5]Se[5]Se)(Se[5]In[3x5]){4|N<3>}	As[5](Se[5]In[3x5])(Se[5]Se[5])(Se){4|N<3>}	Se[5](In[3x5]Se[5]N[5]4)(Se[5]As[5]){1|Se<1>,4|C<4>,4|H<1>}	104.1950	0.000	1	104.1950	0.000	1	104.1950	0.000	1	104.1950	0.000	1	104.1950	0.000	1	104.1950	0.000	1
997	246	997	5:SP3_SP3_SP3	Se[5]	P[5,5,6,6]	Se[5]	3:2:	4:4:2:	3:2:	P[5,5,6,6]-3:Se[5]-2:	C[3x5,6,6]-4:C[4,5,6,6]-4:Se[5]-2:	P[5,5,6,6]-3:Se[5]-2:	Se[5](P[5,5,6,6]C[3x5,6,6]C[4,5,6,6])(Se[5]P[5,5,6,6])	P[5,5,6,6](C[3x5,6,6]P[5,5,6,6]Se[5,5]C)(C[4,5,6,6]P[4,5,5,6]Se[4,6]C)(Se[5]Se[5])	Se[5](P[5,5,6,6]C[3x5,6,6]C[4,5,6,6])(Se[5]P[5,5,6,6])	Se[5](P[5,5,6,6]C[3x5,6,6]C[4,5,6,6])(Se[5]P[5,5,6,6]){2|Se<2>,1|P<3>,3|C<4>}	P[5,5,6,6](C[3x5,6,6]P[5,5,6,6]Se[5,5]C)(C[4,5,6,6]P[4,5,5,6]Se[4,6]C)(Se[5]Se[5]){1|C<4>}	Se[5](P[5,5,6,6]C[3x5,6,6]C[4,5,6,6])(Se[5]P[5,5,6,6]){2|Se<2>,1|P<3>,3|C<4>}	99.2358	0.115	2	99.2358	0.013	2	99.2358	0.013	2	99.2358	0.013	2	99.2358	0.013	2	99.2358	0.013	2
997	334	818	5:SP3_SP1_SP2	Se[5]	C[5]	C[5]	3:2:	3:2:	3:2:2:	C[5]-3:C[5]-2:	C[5]-3:Se[5]-2:	C[5]-3:Se[5]-2:Se[5]-2:	Se[5](C[5]Se[5]C[5])(C[5]C[5])	C[5](C[5]Se[5]H)(Se[5]C[5])	C[5](C[5]Se[5]2)(Se[5]C[5])2	Se[5](C[5]Se[5]C[5])(C[5]C[5]){2|Se<2>,1|H<1>}	C[5](C[5]Se[5]H)(Se[5]C[5]){1|C<3>}	C[5](C[5]Se[5]2)(Se[5]C[5])2{1|H<1>,2|C<3>}	92.4392	0.000	1	92.4392	0.000	1	92.4392	0.000	1	88.7662	26.981	2	88.7662	26.981	2	88.7662	26.981	2
997	334	818	5:SP3_SP1_SP2	Se[5]	C[5]	C[5]	3:2:	3:2:	3:2:2:	C[5]-3:C[5]-2:	C[5]-3:Se[5]-2:	C[6a]-3:Se[5]-2:N[5]-2:	Se[5](C[5]C[6a]N[5])(C[5]C[5])	C[5](C[5]N[5]C)(Se[5]C[5])	C[5](C[6a]C[6a]2)(Se[5]C[5])(N[5]C[5])	Se[5](C[5]C[6a]N[5])(C[5]C[5]){3|C<3>}	C[5](C[5]N[5]C)(Se[5]C[5]){1|C<3>}	C[5](C[6a]C[6a]2)(Se[5]C[5])(N[5]C[5]){2|H<1>,3|C<3>}	85.0933	0.000	1	85.0933	0.000	1	85.0933	0.000	1	88.7662	26.981	2	88.7662	26.981	2	88.7662	26.981	2
997	474	474	5:SP3_SP3_SP3	Se[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	N[5a]-3:C[5]-4:Se[5]-2:H-1:	C[5]-4:Se[5]-2:C-4:H-1:	Se[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]CO)(Se[5]C[5])(H)	C[5](C[5]C[5]HO)(Se[5]C[5])(CHHO)(H)	Se[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]CO)(Se[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	C[5](C[5]C[5]HO)(Se[5]C[5])(CHHO)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>}	90.0721	0.061	2	90.0721	0.004	2	90.0721	0.004	2	90.2636	0.346	5	90.0739	0.798	17	90.0739	0.798	17
997	474	474	5:SP3_SP3_SP3	Se[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	N[6a]-3:C[5]-4:Se[5]-2:H-1:	C[5]-4:Se[5]-2:C-4:H-1:	Se[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](N[6a]C[6a]2)(C[5]C[5]CO)(Se[5]C[5])(H)	C[5](C[5]C[5]HO)(Se[5]C[5])(CHHO)(H)	Se[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[5](N[6a]C[6a]2)(C[5]C[5]CO)(Se[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)(Se[5]C[5])(CHHO)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>}	91.2987	0.000	1	91.2987	0.000	1	90.3913	0.629	3	90.2636	0.346	5	90.0739	0.798	17	90.0739	0.798	17
997	474	474	5:SP3_SP3_SP3	Se[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	N[6a]-3:C[5]-4:Se[5]-2:H-1:	C[5]-4:Se[5]-2:C-4:H-1:	Se[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(Se[5]C[5])(H)	C[5](C[5]C[5]HO)(Se[5]C[5])(CHHO)(H)	Se[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(Se[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)(Se[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	90.0445	0.000	1	90.0445	0.000	1	90.3913	0.629	3	90.2636	0.346	5	90.0739	0.798	17	90.0739	0.798	17
997	474	474	5:SP3_SP3_SP3	Se[5]	C[5]	C[5]	4:4:	3:4:2:1:	4:2:4:1:	C[5]-4:C[5]-4:	N[6a]-3:C[5]-4:Se[5]-2:H-1:	C[5]-4:Se[5]-2:C-4:H-1:	Se[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(Se[5]C[5])(H)	C[5](C[5]C[5]HO)(Se[5]C[5])(CHHO)(H)	Se[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(Se[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)(Se[5]C[5])(CHHO)(H){1|N<3>,1|O<1>,2|H<1>}	89.8307	0.000	1	89.8307	0.000	1	90.3913	0.629	3	90.2636	0.346	5	90.0739	0.798	17	90.0739	0.798	17
997	474	474	5:SP3_SP3_SP3	Se[5]	C[5]	C[5]	4:4:	4:2:1:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[5]-4:Se[5]-2:H-1:H-1:	C[5]-4:Se[5]-2:C-4:H-1:	Se[5](C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5]C[5]HO)(Se[5]C[5])(H)2	C[5](C[5]C[5]HO)(Se[5]C[5])(CCHO)(H)	Se[5](C[5]C[5]CH)(C[5]C[5]HH){1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(Se[5]C[5])(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(Se[5]C[5])(CCHO)(H){1|O<1>,3|H<1>}	90.4946	0.000	1	90.4946	0.000	1	90.4946	0.000	1	90.4946	0.000	1	90.0739	0.798	17	90.0739	0.798	17
997	474	474	5:SP3_SP3_SP3	Se[5]	C[5]	C[5]	4:4:	4:2:4:1:	4:2:4:1:	C[5]-4:C[5]-4:	C[5]-4:Se[5]-2:C-4:H-1:	C[5]-4:Se[5]-2:C-4:H-1:	Se[5](C[5]C[5]CH)2	C[5](C[5]C[5]HO)(Se[5]C[5])(CHHO)(H)	C[5](C[5]C[5]HO)(Se[5]C[5])(CHHO)(H)	Se[5](C[5]C[5]CH)2{2|H<1>,2|O<2>}	C[5](C[5]C[5]HO)(Se[5]C[5])(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(Se[5]C[5])(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	89.9494	1.042	11	89.9494	1.085	11	89.9494	1.085	11	89.9494	1.085	11	90.0739	0.798	17	90.0739	0.798	17
997	474	542	5:SP3_SP2_SP3	Se[5]	C[5,5,6]	N[5]	4:3:	4:4:2:1:	4:2:3:	C[5,5,6]-4:N[5]-3:	C[5,5,6]-4:C[5,5,6]-4:Se[5]-2:H-1:	C[5]-4:Se[5]-2:C-3:	Se[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]C)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]O)(C[5,5,6]C[5,5]C[5,6]H)(Se[5]N[5])(H)	N[5](C[5]C[5,5,6]HH)(Se[5]C[5,5,6])(CCO)	Se[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]C){1|O<2>,3|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]O)(C[5,5,6]C[5,5]C[5,6]H)(Se[5]N[5])(H){1|C<3>,4|C<4>,4|H<1>}	N[5](C[5]C[5,5,6]HH)(Se[5]C[5,5,6])(CCO){1|H<1>,1|O<2>,2|C<4>}	87.0676	0.000	1	87.0676	0.000	1	87.0676	0.000	1	87.0676	0.000	1	87.0676	0.000	1	87.0676	0.000	1
997	474	727	5:SP3_SP2_SP3	Se[5]	C[5,6]	C[5,6a]	4:3:	3:2:2:3:	3:3:2:	C[5,6]-4:C[5,6a]-3:	N[5]-3:Se[5]-2:Se[6]-2:C[6]-3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	Se[5](C[5,6]Se[6]C[6]N[5])(C[5,6a]C[5,6a]C[6a])	C[5,6](N[5]C[5,6a]C)(Se[5]C[5,6a])(Se[6]C[6,6a])(C[6]N[6]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(Se[5]C[5,6])	Se[5](C[5,6]Se[6]C[6]N[5])(C[5,6a]C[5,6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6](N[5]C[5,6a]C)(Se[5]C[5,6a])(Se[6]C[6,6a])(C[6]N[6]O){1|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(Se[5]C[5,6]){1|Se<2>,1|C<4>,2|C<3>,2|H<1>}	85.8927	0.000	1	85.8927	0.000	1	85.8927	0.000	1	85.8927	0.000	1	85.8927	0.000	1	86.4493	0.620	2
997	474	727	5:SP3_SP2_SP3	Se[5]	C[5]	C[5,6a]	3:4:	4:2:4:1:	3:3:2:	C[5,6a]-3:C[5]-4:	C[5]-4:Se[5]-2:C-4:H-1:	C[5,6a]-3:C[6a]-3:Se[5]-2:	Se[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)	C[5](C[5]C[5,6a]HH)(Se[5]C[5,6a])(CBrHH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]C[5])	Se[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(Se[5]C[5,6a])(CBrHH)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]C[5]){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	87.0059	0.000	1	87.0059	0.000	1	87.0059	0.000	1	87.0059	0.000	1	87.0059	0.000	1	86.4493	0.620	2
997	474	818	5:SP3_SP2_SP3	Se[5]	C[5,3x6]	C[5]	4:3:	3:3:3:2:	3:2:3:	C[5,3x6]-4:C[5]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:Se[5]-2:	C[5]-3:Se[5]-2:C-3:	Se[5](C[5,3x6]C[6,6,6a]2C[5,6,6])(C[5]C[5]C)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5])(Se[5]C[5])	C[5](C[5]C[5,6,6]C)(Se[5]C[5,3x6])(COO)	Se[5](C[5,3x6]C[6,6,6a]2C[5,6,6])(C[5]C[5]C){6|C<3>}	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5])(Se[5]C[5]){1|C<4>,3|H<1>,6|C<3>}	C[5](C[5]C[5,6,6]C)(Se[5]C[5,3x6])(COO){3|C<3>}	87.9676	0.000	1	87.9676	0.000	1	87.9676	0.000	1	87.9676	0.000	1	87.9676	0.000	1	87.8179	4.680	13
997	474	818	5:SP3_SP2_SP3	Se[5]	C[5,5]	C[5,6]	4:3:	4:2:4:1:	3:2:3:	C[5,5]-4:C[5,6]-3:	C[5,5]-4:Se[5]-2:C[5]-4:H-1:	N[5,6]-3:Se[5]-2:C[6]-3:	Se[5](C[5,5]C[5,5]C[5]H)(C[5,6]N[5,6]C[6])	C[5,5](C[5,5]N[5,6]C[5]H)(Se[5]C[5,6])(C[5]C[5]HH)(H)	C[5,6](N[5,6]C[5,5]C[6])(Se[5]C[5,5])(C[6]C[6]H)	Se[5](C[5,5]C[5,5]C[5]H)(C[5,6]N[5,6]C[6]){2|C<3>,2|C<4>,4|H<1>}	C[5,5](C[5,5]N[5,6]C[5]H)(Se[5]C[5,6])(C[5]C[5]HH)(H){2|C<3>,4|H<1>}	C[5,6](N[5,6]C[5,5]C[6])(Se[5]C[5,5])(C[6]C[6]H){1|C<3>,2|C<4>,4|H<1>}	87.2158	0.000	1	87.2158	0.000	1	87.2158	0.000	1	87.2158	0.000	1	87.2158	0.000	1	87.8179	4.680	13
997	474	818	5:SP3_SP2_SP3	Se[5]	C[5,5]	C[5]	4:3:	3:4:2:1:	3:2:2:	C[5,5]-4:C[5]-3:	N[5,5]-3:C[5]-4:Se[5]-2:H-1:	C[6a]-3:Se[5]-2:N[5]-2:	Se[5](C[5,5]N[5,5]C[5]H)(C[5]C[6a]N[5])	C[5,5](N[5,5]N[5]P[5])(C[5]C[5]HH)(Se[5]C[5])(H)	C[5](C[6a]C[6a]2)(Se[5]C[5,5])(N[5]N[5,5])	Se[5](C[5,5]N[5,5]C[5]H)(C[5]C[6a]N[5]){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[5,5](N[5,5]N[5]P[5])(C[5]C[5]HH)(Se[5]C[5])(H){1|Se<1>,1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(Se[5]C[5,5])(N[5]N[5,5]){1|C<4>,1|P<4>,2|C<3>,3|H<1>}	84.7842	0.000	1	84.7842	0.000	1	84.7842	0.000	1	84.7842	0.000	1	85.0207	0.079	3	87.8179	4.680	13
997	474	818	5:SP3_SP2_SP3	Se[5]	C[5,5]	C[5]	4:3:	3:4:2:4:	3:2:2:	C[5,5]-4:C[5]-3:	N[5,5]-3:C[5]-4:Se[5]-2:C-4:	C[6a]-3:Se[5]-2:N[5]-2:	Se[5](C[5,5]N[5,5]C[5]C)(C[5]C[6a]N[5])	C[5,5](N[5,5]N[5]P[5])(C[5]C[5]HH)(Se[5]C[5])(CH3)	C[5](C[6a]C[6a]2)(Se[5]C[5,5])(N[5]N[5,5])	Se[5](C[5,5]N[5,5]C[5]C)(C[5]C[6a]N[5]){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[5,5](N[5,5]N[5]P[5])(C[5]C[5]HH)(Se[5]C[5])(CH3){1|Se<1>,1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(Se[5]C[5,5])(N[5]N[5,5]){1|P<4>,2|C<3>,2|C<4>,2|H<1>}	85.1389	0.272	2	85.1389	0.074	2	85.1389	0.074	2	85.1389	0.074	2	85.0207	0.079	3	87.8179	4.680	13
997	474	818	5:SP3_SP2_SP3	Se[5]	C[5,6]	C[5]	4:3:	3:3:3:2:	3:2:1:	C[5,6]-4:C[5]-3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:Se[5]-2:	C[5,6a]-3:Se[5]-2:O-1:	Se[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(Se[5]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(Se[5]C[5,6])(O)	Se[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O){6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(Se[5]C[5]){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(Se[5]C[5,6])(O){1|H<1>,4|C<3>}	90.7301	0.000	1	90.7301	0.000	1	90.7301	0.000	1	90.7301	0.000	1	90.7301	0.000	1	87.8179	4.680	13
997	474	818	5:SP3_SP2_SP3	Se[5]	C[5]	C[5,5]	3:4:	4:2:1:1:	3:2:2:	C[5,5]-3:C[5]-4:	C[5]-4:Se[5]-2:H-1:H-1:	C[5,5]-3:Se[5]-2:S[5]-2:	Se[5](C[5,5]C[5,5]S[5])(C[5]C[5]HH)	C[5](C[5]C[5,5]HH)(Se[5]C[5,5])(H)2	C[5,5](C[5,5]C[5]S[5])(Se[5]C[5])(S[5]C[5])	Se[5](C[5,5]C[5,5]S[5])(C[5]C[5]HH){1|C<3>,1|S<2>,2|H<1>}	C[5](C[5]C[5,5]HH)(Se[5]C[5,5])(H)2{2|S<2>}	C[5,5](C[5,5]C[5]S[5])(Se[5]C[5])(S[5]C[5]){1|S<1>,4|H<1>}	85.2574	0.000	1	85.2574	0.000	1	85.2574	0.000	1	85.2574	0.000	1	85.2574	0.000	1	87.8179	4.680	13
997	474	818	5:SP3_SP2_SP3	Se[5]	C[5]	C[5]	4:3:	3:3:2:1:	3:2:4:	C[5]-4:C[5]-3:	N[6a]-3:C[5]-3:Se[5]-2:H-1:	C[5]-3:Se[5]-2:C-4:	Se[5](C[5]N[6a]C[5]H)(C[5]C[5]C)	C[5](N[6a]C[6a]2)(C[5]C[5]H)(Se[5]C[5])(H)	C[5](C[5]C[5]H)(Se[5]C[5])(CHHO)	Se[5](C[5]N[6a]C[5]H)(C[5]C[5]C){2|C<3>,2|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]H)(Se[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5]C[5]H)(Se[5]C[5])(CHHO){1|N<3>,2|H<1>}	90.6254	0.000	1	90.6254	0.000	1	90.6254	0.000	1	90.6254	0.000	1	89.2334	1.017	6	87.8179	4.680	13
997	474	818	5:SP3_SP2_SP3	Se[5]	C[5]	C[5]	4:3:	3:4:2:1:	2:2:2:	C[5]-4:C[5]-3:	C[6a]-3:C[5]-4:Se[5]-2:H-1:	Se[5]-2:O[5]-2:N-2:	Se[5](C[5]C[6a]C[5]H)(C[5]O[5]N)	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(Se[5]C[5])(H)	C[5](Se[5]C[5])(O[5]C[5])(NC[6a])	Se[5](C[5]C[6a]C[5]H)(C[5]O[5]N){2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(Se[5]C[5])(H){1|N<2>,2|C<3>,2|H<1>}	C[5](Se[5]C[5])(O[5]C[5])(NC[6a]){1|C<3>,3|H<1>}	87.5869	0.000	1	87.5869	0.000	1	87.5869	0.000	1	87.5869	0.000	1	89.2334	1.017	6	87.8179	4.680	13
997	474	818	5:SP3_SP2_SP3	Se[5]	C[5]	C[5]	4:3:	4:2:1:1:	4:2:3:	C[5]-4:C[5]-3:	C[5]-4:Se[5]-2:H-1:H-1:	C[5]-4:Se[5]-2:C-3:	Se[5](C[5]C[5]HH)(C[5]C[5]C)	C[5](C[5]C[5]HH)(Se[5]C[5])(H)2	C[5](C[5]C[5]HH)(Se[5]C[5])(CC[6a]I)	Se[5](C[5]C[5]HH)(C[5]C[5]C){4|H<1>}	C[5](C[5]C[5]HH)(Se[5]C[5])(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(Se[5]C[5])(CC[6a]I){4|H<1>}	89.2970	0.374	4	89.2970	0.140	4	89.2970	0.140	4	89.2970	0.140	4	89.2334	1.017	6	87.8179	4.680	13
997	474	882	5:SP3_SP3_SP3	Se[5,5]	C[3x5,6,6]	P[4,5,5,6]	4:3:	3:3:2:4:	4:4:2:	C[3x5,6,6]-4:P[4,5,5,6]-3:	P[5,5,6,6]-3:P[5,5,6,6]-3:Se[5,5]-2:C-4:	C[4,5,6,6]-4:C[4,5,6,6]-4:Se[5,5]-2:	Se[5,5](C[3x5,6,6]P[5,5,6,6]2C)(P[4,5,5,6]C[4,5,6,6]2)	C[3x5,6,6](P[5,5,6,6]C[4,5,6,6]Se[5])2(Se[5,5]P[4,5,5,6])(CC3)	P[4,5,5,6](C[4,5,6,6]P[5,5,6,6]Se[4,6]C)2(Se[5,5]C[3x5,6,6])	Se[5,5](C[3x5,6,6]P[5,5,6,6]2C)(P[4,5,5,6]C[4,5,6,6]2){3|Se<2>,2|C<4>}	C[3x5,6,6](P[5,5,6,6]C[4,5,6,6]Se[5])2(Se[5,5]P[4,5,5,6])(CC3){1|Se<2>,2|C<4>}	P[4,5,5,6](C[4,5,6,6]P[5,5,6,6]Se[4,6]C)2(Se[5,5]C[3x5,6,6]){2|Se<2>,1|C<4>}	89.2181	0.000	1	89.2181	0.000	1	89.2181	0.000	1	89.2181	0.000	1	89.2181	0.000	1	88.9947	0.100	2
997	474	882	5:SP3_SP3_SP3	Se[5,5]	C[5,5,6,6]	P[4,5,5,6]	3:4:	3:3:2:4:	4:4:2:	P[4,5,5,6]-3:C[5,5,6,6]-4:	P[5,6,6]-3:P[5,6,6]-3:Se[5,5]-2:C-4:	C[4,5,6,6]-4:C[4,5,6,6]-4:Se[5,5]-2:	Se[5,5](P[4,5,5,6]C[4,5,6,6]2)(C[5,5,6,6]P[5,6,6]2C)	C[5,5,6,6](P[5,6,6]C[4,5,6,6]Se)2(Se[5,5]P[4,5,5,6])(CC3)	P[4,5,5,6](C[4,5,6,6]P[5,6,6]Se[4,6]C)2(Se[5,5]C[5,5,6,6])	Se[5,5](P[4,5,5,6]C[4,5,6,6]2)(C[5,5,6,6]P[5,6,6]2C){1|Se<3>,2|Se<2>,2|C<4>}	C[5,5,6,6](P[5,6,6]C[4,5,6,6]Se)2(Se[5,5]P[4,5,5,6])(CC3){1|Se<3>,2|C<4>}	P[4,5,5,6](C[4,5,6,6]P[5,6,6]Se[4,6]C)2(Se[5,5]C[5,5,6,6]){1|Pt<6>,2|Se<2>,1|C<4>}	88.7713	0.000	1	88.7713	0.000	1	88.7713	0.000	1	88.7713	0.000	1	88.7713	0.000	1	88.9947	0.100	2
997	474	955	5:SP3_SP3_SP3	Se[5]	C[5,6]	P[5]	4:4:	2:3:4:2:	4:3:2:1:	C[5,6]-4:P[5]-4:	O[5,6]-2:C[6a]-3:C[6]-4:Se[5]-2:	C[5,6]-4:C[6a]-3:Se[5]-2:Se-1:	Se[5](C[5,6]O[5,6]C[6a]C[6])(P[5]C[5,6]C[6a]Se)	C[5,6](O[5,6]C[5,6])(C[6a]C[6a]2)(C[6]C[6]HH)(Se[5]P[5])	P[5](C[5,6]O[5,6]C[6a]C[6])(C[6a]C[6a]2)(Se[5]C[5,6])(Se)	Se[5](C[5,6]O[5,6]C[6a]C[6])(P[5]C[5,6]C[6a]Se){2|C<4>,2|H<1>,5|C<3>}	C[5,6](O[5,6]C[5,6])(C[6a]C[6a]2)(C[6]C[6]HH)(Se[5]P[5]){1|Se<1>,1|C<4>,4|C<3>,4|H<1>}	P[5](C[5,6]O[5,6]C[6a]C[6])(C[6a]C[6a]2)(Se[5]C[5,6])(Se){2|C<4>,4|H<1>,5|C<3>}	88.6821	0.000	1	88.6821	0.000	1	88.6821	0.000	1	88.6821	0.000	1	88.6821	0.000	1	89.7597	2.322	2
997	474	955	5:SP3_SP3_SP3	Se[5]	C[5]	P[5]	4:4:	3:4:2:1:	3:4:2:1:	P[5]-4:C[5]-4:	C[6a]-3:C[5]-4:Se[5]-2:H-1:	C[6a]-3:C[5]-4:Se[5]-2:Se-1:	Se[5](P[5]C[6a]C[5]Se)(C[5]C[6a]C[5]H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(Se[5]P[5])(H)	P[5](C[6a]C[6a]2)(C[5]C[5]HN)(Se[5]C[5])(Se)	Se[5](P[5]C[6a]C[5]Se)(C[5]C[6a]C[5]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(Se[5]P[5])(H){1|Se<1>,1|N<3>,3|C<3>,3|H<1>}	P[5](C[6a]C[6a]2)(C[5]C[5]HN)(Se[5]C[5])(Se){1|C<4>,3|C<3>,4|H<1>}	90.8373	0.000	1	90.8373	0.000	1	90.8373	0.000	1	90.8373	0.000	1	90.8373	0.000	1	89.7597	2.322	2
997	474	997	5:SP3_SP3_SP3	Se[5]	C[5,6]	Se[5]	4:2:	4:4:2:1:	4:2:	C[5,6]-4:Se[5]-2:	C[5,6]-4:C[6]-4:Se[5]-2:H-1:	C[5,6]-4:Se[5]-2:	Se[5](C[5,6]C[5,6]C[6]H)(Se[5]C[5,6])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]CN)(Se[5]Se[5])(H)	Se[5](C[5,6]C[5,6]C[6]H)(Se[5]C[5,6])	Se[5](C[5,6]C[5,6]C[6]H)(Se[5]C[5,6]){1|N<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]CN)(Se[5]Se[5])(H){1|C<4>,3|H<1>}	Se[5](C[5,6]C[5,6]C[6]H)(Se[5]C[5,6]){1|O<2>,2|C<4>,4|H<1>}	92.2099	0.000	1	92.2099	0.000	1	91.2594	0.185	9	91.2594	0.185	9	91.8447	0.621	16	91.8447	0.621	16
997	474	997	5:SP3_SP3_SP3	Se[5]	C[5,6]	Se[5]	4:2:	4:4:2:1:	4:2:	C[5,6]-4:Se[5]-2:	C[5,6]-4:C[6]-4:Se[5]-2:H-1:	C[5,6]-4:Se[5]-2:	Se[5](C[5,6]C[5,6]C[6]H)(Se[5]C[5,6])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]CO)(Se[5]Se[5])(H)	Se[5](C[5,6]C[5,6]C[6]C)(Se[5]C[5,6])	Se[5](C[5,6]C[5,6]C[6]H)(Se[5]C[5,6]){1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]CO)(Se[5]Se[5])(H){2|C<4>,2|H<1>}	Se[5](C[5,6]C[5,6]C[6]C)(Se[5]C[5,6]){1|N<3>,2|C<4>,4|H<1>}	91.1846	0.214	3	91.1846	0.046	3	91.2594	0.185	9	91.2594	0.185	9	91.8447	0.621	16	91.8447	0.621	16
997	474	997	5:SP3_SP3_SP3	Se[5]	C[5,6]	Se[5]	4:2:	4:4:2:1:	4:2:	C[5,6]-4:Se[5]-2:	C[5,6]-4:C[6]-4:Se[5]-2:H-1:	C[5,6]-4:Se[5]-2:	Se[5](C[5,6]C[5,6]C[6]H)(Se[5]C[5,6])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HN)(Se[5]Se[5])(H)	Se[5](C[5,6]C[5,6]C[6]H)(Se[5]C[5,6])	Se[5](C[5,6]C[5,6]C[6]H)(Se[5]C[5,6]){1|N<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HN)(Se[5]Se[5])(H){1|C<4>,3|H<1>}	Se[5](C[5,6]C[5,6]C[6]H)(Se[5]C[5,6]){1|O<2>,2|C<4>,4|H<1>}	91.5935	0.000	1	91.5935	0.000	1	91.2594	0.185	9	91.2594	0.185	9	91.8447	0.621	16	91.8447	0.621	16
997	474	997	5:SP3_SP3_SP3	Se[5]	C[5,6]	Se[5]	4:2:	4:4:2:1:	4:2:	C[5,6]-4:Se[5]-2:	C[5,6]-4:C[6]-4:Se[5]-2:H-1:	C[5,6]-4:Se[5]-2:	Se[5](C[5,6]C[5,6]C[6]H)(Se[5]C[5,6])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HO)(Se[5]Se[5])(H)	Se[5](C[5,6]C[5,6]C[6]C)(Se[5]C[5,6])	Se[5](C[5,6]C[5,6]C[6]H)(Se[5]C[5,6]){1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HO)(Se[5]Se[5])(H){2|C<4>,2|H<1>}	Se[5](C[5,6]C[5,6]C[6]C)(Se[5]C[5,6]){1|N<3>,2|C<4>,4|H<1>}	91.0874	0.000	1	90.9528	0.036	2	91.2594	0.185	9	91.2594	0.185	9	91.8447	0.621	16	91.8447	0.621	16
997	474	997	5:SP3_SP3_SP3	Se[5]	C[5,6]	Se[5]	4:2:	4:4:2:1:	4:2:	C[5,6]-4:Se[5]-2:	C[5,6]-4:C[6]-4:Se[5]-2:H-1:	C[5,6]-4:Se[5]-2:	Se[5](C[5,6]C[5,6]C[6]H)(Se[5]C[5,6])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HO)(Se[5]Se[5])(H)	Se[5](C[5,6]C[5,6]C[6]C)(Se[5]C[5,6])	Se[5](C[5,6]C[5,6]C[6]H)(Se[5]C[5,6]){1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HO)(Se[5]Se[5])(H){2|C<4>,2|H<1>}	Se[5](C[5,6]C[5,6]C[6]C)(Se[5]C[5,6]){1|N<3>,3|C<4>,3|H<1>}	90.8183	0.000	1	90.9528	0.036	2	91.2594	0.185	9	91.2594	0.185	9	91.8447	0.621	16	91.8447	0.621	16
997	474	997	5:SP3_SP3_SP3	Se[5]	C[5,6]	Se[5]	4:2:	4:4:2:1:	4:2:	C[5,6]-4:Se[5]-2:	C[5,6]-4:C[6]-4:Se[5]-2:H-1:	C[5,6]-4:Se[5]-2:	Se[5](C[5,6]C[5,6]C[6]H)(Se[5]C[5,6])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HO)(Se[5]Se[5])(H)	Se[5](C[5,6]C[5,6]C[6]H)(Se[5]C[5,6])	Se[5](C[5,6]C[5,6]C[6]H)(Se[5]C[5,6]){1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HO)(Se[5]Se[5])(H){1|C<4>,3|H<1>}	Se[5](C[5,6]C[5,6]C[6]H)(Se[5]C[5,6]){1|N<3>,2|C<4>,4|H<1>}	91.1702	0.000	1	91.0359	0.036	2	91.2594	0.185	9	91.2594	0.185	9	91.8447	0.621	16	91.8447	0.621	16
997	474	997	5:SP3_SP3_SP3	Se[5]	C[5,6]	Se[5]	4:2:	4:4:2:1:	4:2:	C[5,6]-4:Se[5]-2:	C[5,6]-4:C[6]-4:Se[5]-2:H-1:	C[5,6]-4:Se[5]-2:	Se[5](C[5,6]C[5,6]C[6]H)(Se[5]C[5,6])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HO)(Se[5]Se[5])(H)	Se[5](C[5,6]C[5,6]C[6]H)(Se[5]C[5,6])	Se[5](C[5,6]C[5,6]C[6]H)(Se[5]C[5,6]){1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HO)(Se[5]Se[5])(H){1|C<4>,3|H<1>}	Se[5](C[5,6]C[5,6]C[6]H)(Se[5]C[5,6]){1|N<3>,3|C<4>,3|H<1>}	90.9017	0.000	1	91.0359	0.036	2	91.2594	0.185	9	91.2594	0.185	9	91.8447	0.621	16	91.8447	0.621	16
997	474	997	5:SP3_SP3_SP3	Se[5]	C[5,6]	Se[5]	4:2:	4:4:2:4:	4:2:	C[5,6]-4:Se[5]-2:	C[5,6]-4:C[6]-4:Se[5]-2:C-4:	C[5,6]-4:Se[5]-2:	Se[5](C[5,6]C[5,6]C[6]C)(Se[5]C[5,6])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]CN)(Se[5]Se[5])(CH3)	Se[5](C[5,6]C[5,6]C[6]H)(Se[5]C[5,6])	Se[5](C[5,6]C[5,6]C[6]C)(Se[5]C[5,6]){1|N<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]CN)(Se[5]Se[5])(CH3){1|C<4>,3|H<1>}	Se[5](C[5,6]C[5,6]C[6]H)(Se[5]C[5,6]){1|O<2>,3|C<4>,3|H<1>}	93.2127	0.000	1	93.2127	0.000	1	92.5971	0.132	7	92.5971	0.132	7	91.8447	0.621	16	91.8447	0.621	16
997	474	997	5:SP3_SP3_SP3	Se[5]	C[5,6]	Se[5]	4:2:	4:4:2:4:	4:2:	C[5,6]-4:Se[5]-2:	C[5,6]-4:C[6]-4:Se[5]-2:C-4:	C[5,6]-4:Se[5]-2:	Se[5](C[5,6]C[5,6]C[6]C)(Se[5]C[5,6])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HN)(Se[5]Se[5])(CH3)	Se[5](C[5,6]C[5,6]C[6]C)(Se[5]C[5,6])	Se[5](C[5,6]C[5,6]C[6]C)(Se[5]C[5,6]){1|N<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HN)(Se[5]Se[5])(CH3){2|C<4>,2|H<1>}	Se[5](C[5,6]C[5,6]C[6]C)(Se[5]C[5,6]){1|O<2>,3|C<4>,3|H<1>}	92.2857	0.000	1	92.2857	0.000	1	92.5971	0.132	7	92.5971	0.132	7	91.8447	0.621	16	91.8447	0.621	16
997	474	997	5:SP3_SP3_SP3	Se[5]	C[5,6]	Se[5]	4:2:	4:4:2:4:	4:2:	C[5,6]-4:Se[5]-2:	C[5,6]-4:C[6]-4:Se[5]-2:C-4:	C[5,6]-4:Se[5]-2:	Se[5](C[5,6]C[5,6]C[6]C)(Se[5]C[5,6])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HN)(Se[5]Se[5])(CH3)	Se[5](C[5,6]C[5,6]C[6]H)(Se[5]C[5,6])	Se[5](C[5,6]C[5,6]C[6]C)(Se[5]C[5,6]){1|N<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HN)(Se[5]Se[5])(CH3){1|C<4>,3|H<1>}	Se[5](C[5,6]C[5,6]C[6]H)(Se[5]C[5,6]){1|O<2>,2|H<1>,4|C<4>}	92.5961	0.160	3	92.6415	0.025	4	92.5971	0.132	7	92.5971	0.132	7	91.8447	0.621	16	91.8447	0.621	16
997	474	997	5:SP3_SP3_SP3	Se[5]	C[5,6]	Se[5]	4:2:	4:4:2:4:	4:2:	C[5,6]-4:Se[5]-2:	C[5,6]-4:C[6]-4:Se[5]-2:C-4:	C[5,6]-4:Se[5]-2:	Se[5](C[5,6]C[5,6]C[6]C)(Se[5]C[5,6])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HN)(Se[5]Se[5])(CH3)	Se[5](C[5,6]C[5,6]C[6]H)(Se[5]C[5,6])	Se[5](C[5,6]C[5,6]C[6]C)(Se[5]C[5,6]){1|N<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HN)(Se[5]Se[5])(CH3){1|C<4>,3|H<1>}	Se[5](C[5,6]C[5,6]C[6]H)(Se[5]C[5,6]){1|O<2>,3|C<4>,3|H<1>}	92.7777	0.000	1	92.6415	0.025	4	92.5971	0.132	7	92.5971	0.132	7	91.8447	0.621	16	91.8447	0.621	16
997	474	997	5:SP3_SP3_SP3	Se[5]	C[5,6]	Se[5]	4:2:	4:4:2:4:	4:2:	C[5,6]-4:Se[5]-2:	C[5,6]-4:C[6]-4:Se[5]-2:C-4:	C[5,6]-4:Se[5]-2:	Se[5](C[5,6]C[5,6]C[6]C)(Se[5]C[5,6])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HO)(Se[5]Se[5])(CH3)	Se[5](C[5,6]C[5,6]C[6]C)(Se[5]C[5,6])	Se[5](C[5,6]C[5,6]C[6]C)(Se[5]C[5,6]){1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HO)(Se[5]Se[5])(CH3){2|C<4>,2|H<1>}	Se[5](C[5,6]C[5,6]C[6]C)(Se[5]C[5,6]){1|N<3>,3|C<4>,3|H<1>}	92.1153	0.000	1	92.1153	0.000	1	92.5971	0.132	7	92.5971	0.132	7	91.8447	0.621	16	91.8447	0.621	16
997	478	852	5:SP3_SP3_SP3	Se[5,5]	C[4,3x5]	P[3,5,5]	4:3:	4:3:2:4:	4:4:2:	C[4,3x5]-4:P[3,5,5]-3:	P[4,3x5]-4:P[4,3x5]-3:Se[5,5]-2:C-4:	C[3,3x5]-4:C[3,3x5]-4:Se[5,5]-2:	Se[5,5](C[4,3x5]P[4,3x5]2C)(P[3,5,5]C[3,3x5]2)	C[4,3x5](P[4,3x5]C[3,3x5]Se[4,5]Se)(P[4,3x5]C[3,3x5]Se[4,5])(Se[5,5]P[3,5,5])(CC3)	P[3,5,5](C[3,3x5]C[3,3x5]P[4,3x5]C)2(Se[5,5]C[4,3x5])	Se[5,5](C[4,3x5]P[4,3x5]2C)(P[3,5,5]C[3,3x5]2){1|Se<1>,1|Se<2>,2|C<4>}	C[4,3x5](P[4,3x5]C[3,3x5]Se[4,5]Se)(P[4,3x5]C[3,3x5]Se[4,5])(Se[5,5]P[3,5,5])(CC3){2|C<4>}	P[3,5,5](C[3,3x5]C[3,3x5]P[4,3x5]C)2(Se[5,5]C[4,3x5]){1|Se<1>,1|Se<2>,1|C<4>}	91.6088	0.000	1	91.6088	0.000	1	91.6088	0.000	1	91.6088	0.000	1	91.6088	0.000	1	91.6088	0.000	1
997	542	542	5:SP3_SP2_SP2	Se[5]	N[5]	N[5]	3:3:	3:2:4:	3:2:4:	N[5]-3:N[5]-3:	C[5,6a]-3:Se[5]-2:B-4:	C[5,6a]-3:Se[5]-2:B-4:	Se[5](N[5]C[5,6a]B)2	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])(BCl3)	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])(BCl3)	Se[5](N[5]C[5,6a]B)2{2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])(BCl3){1|B<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])(BCl3){1|B<4>,1|H<1>,2|C<3>}	87.0879	0.000	1	87.0879	0.000	1	87.0879	0.000	1	87.0879	0.000	1	84.4780	3.533	5	84.4780	3.533	5
997	542	542	5:SP3_SP2_SP2	Se[5]	N[5]	N[5]	3:3:	3:3:2:	3:3:2:	N[5]-3:N[5]-3:	C[6a]-3:C[5]-3:Se[5]-2:	C[6a]-3:C[5]-3:Se[5]-2:	Se[5](N[5]C[6a]C[5])2	N[5](C[6a]C[6a]2)(C[5]C[5]H)(Se[5]N[5])	N[5](C[6a]C[6a]2)(C[5]C[5]H)(Se[5]N[5])	Se[5](N[5]C[6a]C[5])2{2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(Se[5]N[5]){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(Se[5]N[5]){1|H<1>,2|C<4>,3|C<3>}	81.8033	0.000	1	81.8033	0.000	1	81.8033	0.000	1	81.8033	0.000	1	84.4780	3.533	5	84.4780	3.533	5
997	542	542	5:SP3_SP2_SP2	Se[5]	N[5]	N[5]	3:3:	4:3:2:	4:3:2:	N[5]-3:N[5]-3:	C[6]-4:C[5]-3:Se[5]-2:	C[6]-4:C[5]-3:Se[5]-2:	Se[5](N[5]C[5]C[6])2	N[5](C[6]C[6]2H)(C[5]C[5]H)(Se[5]N[5])	N[5](C[6]C[6]2H)(C[5]C[5]H)(Se[5]N[5])	Se[5](N[5]C[5]C[6])2{4|C<4>,4|H<1>}	N[5](C[6]C[6]2H)(C[5]C[5]H)(Se[5]N[5]){3|C<4>,5|H<1>}	N[5](C[6]C[6]2H)(C[5]C[5]H)(Se[5]N[5]){3|C<4>,5|H<1>}	84.4996	0.288	3	84.4996	0.083	3	84.4996	0.083	3	84.4996	0.083	3	84.4780	3.533	5	84.4780	3.533	5
997	542	727	5:SP3_SP2_SP2	Se[5]	N[5,5]	C[5,6a]	3:3:	3:2:4:	3:3:2:	C[5,6a]-3:N[5,5]-3:	C[5,5]-3:Se[5]-2:C[5]-4:	C[5,6a]-3:C[6a]-3:Se[5]-2:	Se[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])	N[5,5](C[5,5]C[5,6a]O[5])(Se[5]C[5,6a])(C[5]C[5]CC)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a,6a]H)(Se[5]N[5,5])	Se[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5]){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	N[5,5](C[5,5]C[5,6a]O[5])(Se[5]C[5,6a])(C[5]C[5]CC){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a,6a]H)(Se[5]N[5,5]){1|C<4>,1|O<2>,3|C<3>}	84.3873	0.000	1	84.3873	0.000	1	82.5249	1.565	4	82.5249	1.565	4	82.5249	1.565	4	84.0316	3.774	37
997	542	727	5:SP3_SP2_SP2	Se[5]	N[5,5]	C[5,6a]	3:3:	3:2:4:	3:3:2:	C[5,6a]-3:N[5,5]-3:	C[5,5]-3:Se[5]-2:C[5]-4:	C[5,6a]-3:C[6a]-3:Se[5]-2:	Se[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])	N[5,5](C[5,5]C[5,6a]O[5])(Se[5]C[5,6a])(C[5]C[5]HH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(Se[5]N[5,5])	Se[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	N[5,5](C[5,5]C[5,6a]O[5])(Se[5]C[5,6a])(C[5]C[5]HH){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(Se[5]N[5,5]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	81.9041	0.186	3	81.9041	0.035	3	82.5249	1.565	4	82.5249	1.565	4	82.5249	1.565	4	84.0316	3.774	37
997	542	727	5:SP3_SP2_SP2	Se[5]	N[5]	C[5,6a]	3:3:	2:3:2:	3:3:2:	C[5,6a]-3:N[5]-3:	Se[5]-2:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:Se[5]-2:	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5])	N[5](Se[5]C[5,6a])(C[6a]C[6a]2)(N[5]C[5,6a])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(Se[5]N[5])	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5]){1|H<1>,4|C<3>}	N[5](Se[5]C[5,6a])(C[6a]C[6a]2)(N[5]C[5,6a]){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(Se[5]N[5]){2|C<3>,2|H<1>}	79.5754	0.066	4	79.5754	0.004	4	79.5754	0.004	4	79.5754	0.004	4	84.2142	3.781	33	84.0316	3.774	37
997	542	727	5:SP3_SP2_SP2	Se[5]	N[5]	C[5,6a]	3:3:	3:2:1:	3:3:2:	C[5,6a]-3:N[5]-3:	C[5]-3:Se[5]-2:O-1:	C[5,6a]-3:C[6a]-3:Se[5]-2:	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)	N[5](C[5]C[5,6a]H)(Se[5]C[5,6a])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]N[5])	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O){2|C<3>,2|H<1>}	N[5](C[5]C[5,6a]H)(Se[5]C[5,6a])(O){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]N[5]){1|C<3>,1|O<1>,3|H<1>}	84.2620	0.000	1	84.2620	0.000	1	84.2620	0.000	1	84.2620	0.000	1	84.2142	3.781	33	84.0316	3.774	37
997	542	727	5:SP3_SP2_SP2	Se[5]	N[5]	C[5,6a]	3:3:	3:2:3:	3:3:2:	C[5,6a]-3:N[5]-3:	C[5]-3:Se[5]-2:C-3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(CCO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]N[5])	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(CCO){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]N[5]){1|O<1>,2|C<3>,2|H<1>}	85.1935	0.000	1	85.1935	0.000	1	85.1935	0.000	1	84.7768	1.110	13	84.2142	3.781	33	84.0316	3.774	37
997	542	727	5:SP3_SP2_SP2	Se[5]	N[5]	C[5,6a]	3:3:	3:2:3:	3:3:2:	C[5,6a]-3:N[5]-3:	C[5]-3:Se[5]-2:C[6a]-3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])	N[5](C[5]C[5,6a]H)(Se[5]C[5,6a])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]N[5])	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5]){2|H<1>,4|C<3>}	N[5](C[5]C[5,6a]H)(Se[5]C[5,6a])(C[6a]C[6a]2){2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]N[5]){2|C<3>,3|H<1>}	82.8180	0.041	2	82.8180	0.002	2	84.7421	1.194	12	84.7768	1.110	13	84.2142	3.781	33	84.0316	3.774	37
997	542	727	5:SP3_SP2_SP2	Se[5]	N[5]	C[5,6a]	3:3:	3:2:3:	3:3:2:	C[5,6a]-3:N[5]-3:	C[5]-3:Se[5]-2:C[6a]-3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]N[5])	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5]){1|H<1>,1|O<1>,4|C<3>}	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(C[6a]C[6a]2){1|Br<1>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]N[5]){1|O<1>,2|C<3>,2|H<1>}	85.2212	0.000	1	85.1049	0.535	6	84.7421	1.194	12	84.7768	1.110	13	84.2142	3.781	33	84.0316	3.774	37
997	542	727	5:SP3_SP2_SP2	Se[5]	N[5]	C[5,6a]	3:3:	3:2:3:	3:3:2:	C[5,6a]-3:N[5]-3:	C[5]-3:Se[5]-2:C[6a]-3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]N[5])	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5]){1|H<1>,1|O<1>,4|C<3>}	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]N[5]){1|O<1>,2|C<3>,2|H<1>}	85.1219	0.000	1	85.1049	0.535	6	84.7421	1.194	12	84.7768	1.110	13	84.2142	3.781	33	84.0316	3.774	37
997	542	727	5:SP3_SP2_SP2	Se[5]	N[5]	C[5,6a]	3:3:	3:2:3:	3:3:2:	C[5,6a]-3:N[5]-3:	C[5]-3:Se[5]-2:C[6a]-3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]N[5])	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5]){1|H<1>,1|O<1>,4|C<3>}	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]N[5]){1|O<1>,2|C<3>,2|H<1>}	85.0716	0.941	4	85.1049	0.535	6	84.7421	1.194	12	84.7768	1.110	13	84.2142	3.781	33	84.0316	3.774	37
997	542	727	5:SP3_SP2_SP2	Se[5]	N[5]	C[5,6a]	3:3:	3:2:3:	3:3:2:	C[5,6a]-3:N[5]-3:	C[5]-3:Se[5]-2:C[6a]-3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(Se[5]N[5])	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5]){1|N<2>,1|O<1>,4|C<3>}	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(Se[5]N[5]){1|O<1>,2|C<3>,2|H<1>}	84.0817	0.000	1	85.1599	0.521	4	84.7421	1.194	12	84.7768	1.110	13	84.2142	3.781	33	84.0316	3.774	37
997	542	727	5:SP3_SP2_SP2	Se[5]	N[5]	C[5,6a]	3:3:	3:2:3:	3:3:2:	C[5,6a]-3:N[5]-3:	C[5]-3:Se[5]-2:C[6a]-3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(Se[5]N[5])	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5]){1|N<3>,1|O<1>,4|C<3>}	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(Se[5]N[5]){1|O<1>,2|C<3>,2|H<1>}	85.5193	0.085	3	85.1599	0.521	4	84.7421	1.194	12	84.7768	1.110	13	84.2142	3.781	33	84.0316	3.774	37
997	542	727	5:SP3_SP2_SP2	Se[5]	N[5]	C[5,6a]	3:3:	3:2:4:	3:3:2:	C[5,6a]-3:N[5]-3:	C[5,6a]-3:Se[5]-2:C-4:	C[5,6a,6a]-3:C[6a]-3:Se[5]-2:	Se[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a,6a]C[6a])(Se[5]C[5,6a])(CH3)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(Se[5]N[5])	Se[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]C){1|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a,6a]C[6a])(Se[5]C[5,6a])(CH3){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(Se[5]N[5]){1|C<4>,1|H<1>,3|C<3>}	85.8404	0.000	1	85.8404	0.000	1	85.8404	0.000	1	84.9605	0.650	15	84.2142	3.781	33	84.0316	3.774	37
997	542	727	5:SP3_SP2_SP2	Se[5]	N[5]	C[5,6a]	3:3:	3:2:4:	3:3:2:	C[5,6a]-3:N[5]-3:	C[5]-3:Se[5]-2:C-4:	C[5,6a]-3:C[6a]-3:Se[5]-2:	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(CC3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C[5])(Se[5]N[5])	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C){1|O<1>,3|C<3>}	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(CC3){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C[5])(Se[5]N[5]){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|H<1>}	84.7487	0.000	1	84.7487	0.000	1	84.8977	0.637	14	84.9605	0.650	15	84.2142	3.781	33	84.0316	3.774	37
997	542	727	5:SP3_SP2_SP2	Se[5]	N[5]	C[5,6a]	3:3:	3:2:4:	3:3:2:	C[5,6a]-3:N[5]-3:	C[5]-3:Se[5]-2:C-4:	C[5,6a]-3:C[6a]-3:Se[5]-2:	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]N[5])	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(CCHH){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]N[5]){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	85.8521	0.000	1	85.8521	0.000	1	84.8977	0.637	14	84.9605	0.650	15	84.2142	3.781	33	84.0316	3.774	37
997	542	727	5:SP3_SP2_SP2	Se[5]	N[5]	C[5,6a]	3:3:	3:2:4:	3:3:2:	C[5,6a]-3:N[5]-3:	C[5]-3:Se[5]-2:C-4:	C[5,6a]-3:C[6a]-3:Se[5]-2:	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(CC[6a]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]N[5])	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(CC[6a]CH){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]N[5]){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|O<1>}	85.2270	0.317	2	85.3071	0.069	3	84.8977	0.637	14	84.9605	0.650	15	84.2142	3.781	33	84.0316	3.774	37
997	542	727	5:SP3_SP2_SP2	Se[5]	N[5]	C[5,6a]	3:3:	3:2:4:	3:3:2:	C[5,6a]-3:N[5]-3:	C[5]-3:Se[5]-2:C-4:	C[5,6a]-3:C[6a]-3:Se[5]-2:	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(CC[6a]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]N[5])	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(CC[6a]CH){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]N[5]){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	85.4675	0.000	1	85.3071	0.069	3	84.8977	0.637	14	84.9605	0.650	15	84.2142	3.781	33	84.0316	3.774	37
997	542	727	5:SP3_SP2_SP2	Se[5]	N[5]	C[5,6a]	3:3:	3:2:4:	3:3:2:	C[5,6a]-3:N[5]-3:	C[5]-3:Se[5]-2:C-4:	C[5,6a]-3:C[6a]-3:Se[5]-2:	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(Se[5]N[5])	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(CC[6a]HH){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(Se[5]N[5]){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	85.4092	0.000	1	85.4092	0.000	1	84.8977	0.637	14	84.9605	0.650	15	84.2142	3.781	33	84.0316	3.774	37
997	542	727	5:SP3_SP2_SP2	Se[5]	N[5]	C[5,6a]	3:3:	3:2:4:	3:3:2:	C[5,6a]-3:N[5]-3:	C[5]-3:Se[5]-2:C-4:	C[5,6a]-3:C[6a]-3:Se[5]-2:	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(Se[5]N[5])	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(CC[6a]HH){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(Se[5]N[5]){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	85.8060	0.000	1	85.8060	0.000	1	84.8977	0.637	14	84.9605	0.650	15	84.2142	3.781	33	84.0316	3.774	37
997	542	727	5:SP3_SP2_SP2	Se[5]	N[5]	C[5,6a]	3:3:	3:2:4:	3:3:2:	C[5,6a]-3:N[5]-3:	C[5]-3:Se[5]-2:C-4:	C[5,6a]-3:C[6a]-3:Se[5]-2:	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]N[5])	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(CC[6a]HH){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]N[5]){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	84.4043	0.807	7	84.4043	0.652	7	84.8977	0.637	14	84.9605	0.650	15	84.2142	3.781	33	84.0316	3.774	37
997	542	818	5:SP3_SP2_SP2	Se[5]	N[5]	C[5]	3:3:	4:3:2:	3:2:3:	N[5]-3:C[5]-3:	C[6]-4:C[5]-3:Se[5]-2:	C[5]-3:Se[5]-2:C-3:	Se[5](N[5]C[5]C[6])(C[5]C[5]C)	N[5](C[6]C[6]2H)(C[5]C[5]O)(Se[5]C[5])	C[5](C[5]C[5]N)(Se[5]N[5])(CC[6a]O)	Se[5](N[5]C[5]C[6])(C[5]C[5]C){1|H<1>,1|N<3>,1|O<1>,2|C<4>}	N[5](C[6]C[6]2H)(C[5]C[5]O)(Se[5]C[5]){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5]N)(Se[5]N[5])(CC[6a]O){1|C<4>,1|O<1>}	85.9707	0.000	1	85.9707	0.000	1	85.9707	0.000	1	85.9707	0.000	1	85.9707	0.000	1	85.9707	0.000	1
997	542	960	5:SP3_SP2_SP2	Se[5]	N[5,6]	N[5]	3:2:	3:3:2:	3:2:	N[5,6]-3:N[5]-2:	C[5,6]-3:C[6]-3:Se[5]-2:	C[5]-3:Se[5]-2:	Se[5](N[5,6]C[5,6]C[6])(N[5]C[5])	N[5,6](C[5,6]C[5]C[6])(C[6]C[6]H)(Se[5]N[5])	N[5](C[5]C[5,6]C[6a])(Se[5]N[5,6])	Se[5](N[5,6]C[5,6]C[6])(N[5]C[5]){1|H<1>,3|C<3>}	N[5,6](C[5,6]C[5]C[6])(C[6]C[6]H)(Se[5]N[5]){2|C<3>,2|H<1>}	N[5](C[5]C[5,6]C[6a])(Se[5]N[5,6]){4|C<3>}	83.9561	0.000	1	83.9561	0.000	1	83.9561	0.000	1	83.9561	0.000	1	83.9561	0.000	1	88.6000	3.366	34
997	542	960	5:SP3_SP2_SP2	Se[5]	N[5]	N[5]	3:2:	3:2:4:	3:2:	N[5]-3:N[5]-2:	C[5,6a]-3:Se[5]-2:B-4:	C[5,6a]-3:Se[5]-2:	Se[5](N[5]C[5,6a]B)(N[5]C[5,6a])	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])(BBr3)	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])	Se[5](N[5]C[5,6a]B)(N[5]C[5,6a]){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])(BBr3){1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5]){1|B<4>,1|H<1>,2|C<3>}	90.9665	0.000	1	90.9665	0.000	1	91.0619	0.405	4	88.7585	2.956	31	88.7407	2.776	33	88.6000	3.366	34
997	542	960	5:SP3_SP2_SP2	Se[5]	N[5]	N[5]	3:2:	3:2:4:	3:2:	N[5]-3:N[5]-2:	C[5,6a]-3:Se[5]-2:B-4:	C[5,6a]-3:Se[5]-2:	Se[5](N[5]C[5,6a]B)(N[5]C[5,6a])	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])(BC[6a]3)	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])	Se[5](N[5]C[5,6a]B)(N[5]C[5,6a]){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])(BC[6a]3){1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5]){1|B<4>,1|H<1>,2|C<3>}	91.9896	0.000	1	91.9896	0.000	1	91.0619	0.405	4	88.7585	2.956	31	88.7407	2.776	33	88.6000	3.366	34
997	542	960	5:SP3_SP2_SP2	Se[5]	N[5]	N[5]	3:2:	3:2:4:	3:2:	N[5]-3:N[5]-2:	C[5,6a]-3:Se[5]-2:B-4:	C[5,6a]-3:Se[5]-2:	Se[5](N[5]C[5,6a]B)(N[5]C[5,6a])	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])(BCl3)	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])	Se[5](N[5]C[5,6a]B)(N[5]C[5,6a]){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])(BCl3){1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5]){1|B<4>,1|H<1>,2|C<3>}	90.6457	0.000	1	90.6457	0.000	1	91.0619	0.405	4	88.7585	2.956	31	88.7407	2.776	33	88.6000	3.366	34
997	542	960	5:SP3_SP2_SP2	Se[5]	N[5]	N[5]	3:2:	3:2:4:	3:2:	N[5]-3:N[5]-2:	C[5,6a]-3:Se[5]-2:B-4:	C[5,6a]-3:Se[5]-2:	Se[5](N[5]C[5,6a]B)(N[5]C[5,6a])	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])(BF3)	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])	Se[5](N[5]C[5,6a]B)(N[5]C[5,6a]){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])(BF3){1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5]){1|B<4>,1|H<1>,2|C<3>}	90.6459	0.000	1	90.6459	0.000	1	91.0619	0.405	4	88.7585	2.956	31	88.7407	2.776	33	88.6000	3.366	34
997	542	960	5:SP3_SP2_SP2	Se[5]	N[5]	N[5]	3:2:	3:2:4:	3:2:	N[5]-3:N[5]-2:	C[5,6a]-3:Se[5]-2:C-4:	C[5,6a]-3:Se[5]-2:	Se[5](N[5]C[5,6a]C)(N[5]C[5,6a])	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])(CC3)	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])	Se[5](N[5]C[5,6a]C)(N[5]C[5,6a]){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])(CC3){1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5]){1|C<4>,1|H<1>,2|C<3>}	90.9073	0.000	1	90.9073	0.000	1	89.3597	0.944	15	88.7585	2.956	31	88.7407	2.776	33	88.6000	3.366	34
997	542	960	5:SP3_SP2_SP2	Se[5]	N[5]	N[5]	3:2:	3:2:4:	3:2:	N[5]-3:N[5]-2:	C[5,6a]-3:Se[5]-2:C-4:	C[5,6a]-3:Se[5]-2:	Se[5](N[5]C[5,6a]C)(N[5]C[5,6a])	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])(CCCH)	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])	Se[5](N[5]C[5,6a]C)(N[5]C[5,6a]){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])(CCCH){1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5]){1|C<4>,1|H<1>,2|C<3>}	89.0949	0.742	2	89.0949	0.551	2	89.3597	0.944	15	88.7585	2.956	31	88.7407	2.776	33	88.6000	3.366	34
997	542	960	5:SP3_SP2_SP2	Se[5]	N[5]	N[5]	3:2:	3:2:4:	3:2:	N[5]-3:N[5]-2:	C[5,6a]-3:Se[5]-2:C-4:	C[5,6a]-3:Se[5]-2:	Se[5](N[5]C[5,6a]C)(N[5]C[5,6a])	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])(CCHH)	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])	Se[5](N[5]C[5,6a]C)(N[5]C[5,6a]){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])(CCHH){1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5]){1|C<4>,1|H<1>,2|C<3>}	89.0568	0.900	6	89.0568	0.811	6	89.3597	0.944	15	88.7585	2.956	31	88.7407	2.776	33	88.6000	3.366	34
997	542	960	5:SP3_SP2_SP2	Se[5]	N[5]	N[5]	3:2:	3:2:4:	3:2:	N[5]-3:N[5]-2:	C[5,6a]-3:Se[5]-2:C-4:	C[5,6a]-3:Se[5]-2:	Se[5](N[5]C[5,6a]C)(N[5]C[5,6a])	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])(CC[6a]HH)	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])	Se[5](N[5]C[5,6a]C)(N[5]C[5,6a]){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])(CC[6a]HH){1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5]){1|C<4>,1|H<1>,2|C<3>}	90.4195	0.059	3	90.4195	0.003	3	89.3597	0.944	15	88.7585	2.956	31	88.7407	2.776	33	88.6000	3.366	34
997	542	960	5:SP3_SP2_SP2	Se[5]	N[5]	N[5]	3:2:	3:2:4:	3:2:	N[5]-3:N[5]-2:	C[5,6a]-3:Se[5]-2:C-4:	C[5,6a]-3:Se[5]-2:	Se[5](N[5]C[5,6a]C)(N[5]C[5,6a])	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])(CH3)	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])	Se[5](N[5]C[5,6a]C)(N[5]C[5,6a]){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])(CH3){1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5]){1|C<4>,1|H<1>,2|C<3>}	88.5663	0.363	3	88.5663	0.132	3	89.3597	0.944	15	88.7585	2.956	31	88.7407	2.776	33	88.6000	3.366	34
997	542	960	5:SP3_SP2_SP2	Se[5]	N[5]	N[5]	3:2:	3:2:4:	3:2:	N[5]-3:N[5]-2:	C[5]-3:Se[5]-2:C-4:	C[5]-3:Se[5]-2:	Se[5](N[5]C[5]C)(N[5]C[5])	N[5](C[5]C[5]H)(Se[5]N[5])(CC3)	N[5](C[5]C[5]H)(Se[5]N[5])	Se[5](N[5]C[5]C)(N[5]C[5]){2|H<1>}	N[5](C[5]C[5]H)(Se[5]N[5])(CC3){1|H<1>}	N[5](C[5]C[5]H)(Se[5]N[5]){1|C<4>,1|H<1>}	87.2393	1.345	12	87.2393	1.809	12	87.2393	1.809	12	88.7585	2.956	31	88.7407	2.776	33	88.6000	3.366	34
997	542	960	5:SP3_SP2_SP2	Se[5]	N[5]	N[5]	3:2:	3:4:2:	3:2:	N[5]-3:N[5]-2:	C[5,6a]-3:C[6]-4:Se[5]-2:	C[5,6a]-3:Se[5]-2:	Se[5](N[5]C[5,6a]C[6])(N[5]C[5,6a])	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(Se[5]N[5])	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])	Se[5](N[5]C[5,6a]C[6])(N[5]C[5,6a]){1|H<1>,2|C<3>,2|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(Se[5]N[5]){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5]){1|C<4>,1|H<1>,2|C<3>}	88.4654	0.113	2	88.4654	0.013	2	88.4654	0.013	2	88.4654	0.013	2	88.7407	2.776	33	88.6000	3.366	34
997	562	562	5:SP3_SP3_SP3	Se[5]	Si[5]	Si[5]	4:4:	4:2:4:4:	4:2:4:4:	Si[5]-4:Si[5]-4:	Si[5]-4:Se[5]-2:Si-4:Si-4:	Si[5]-4:Se[5]-2:Si-4:Si-4:	Se[5](Si[5]Si[5]Si2)2	Si[5](Si[5]Si[5]CC)(Se[5]Si[5])(SiC3)2	Si[5](Si[5]Si[5]CC)(Se[5]Si[5])(SiC3)2	Se[5](Si[5]Si[5]Si2)2{4|C<4>}	Si[5](Si[5]Si[5]CC)(Se[5]Si[5])(SiC3)2{2|Si<4>,2|C<4>}	Si[5](Si[5]Si[5]CC)(Se[5]Si[5])(SiC3)2{2|Si<4>,2|C<4>}	105.7150	0.000	1	105.7150	0.000	1	105.7150	0.000	1	105.7150	0.000	1	105.7150	0.000	1	105.7150	0.000	1
997	727	727	5:SP3_SP2_SP2	Se[5]	C[5,6a]	C[5,5a]	3:3:	3:2:3:	3:2:2:	C[5,5a]-3:C[5,6a]-3:	C[5,6a]-3:Se[5]-2:C[6a]-3:	C[5,5a]-3:S[5a]-2:Se[5]-2:	Se[5](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[5,5a]C[5,6a])(Se[5]C[5,5a])(C[6a]C[6a]H)	C[5,5a](C[5,5a]C[5,5a]C[5,6a])(S[5a]C[5,5a])(Se[5]C[5,6a])	Se[5](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[5,6a]C[6a]){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[5,6a])(Se[5]C[5,5a])(C[6a]C[6a]H){1|H<1>,1|S<2>,3|C<3>}	C[5,5a](C[5,5a]C[5,5a]C[5,6a])(S[5a]C[5,5a])(Se[5]C[5,6a]){1|Se<2>,3|C<3>}	85.1190	0.076	2	85.1190	0.006	2	85.1190	0.006	2	85.1190	0.006	2	85.7099	0.468	4	86.6827	1.394	17
997	727	727	5:SP3_SP2_SP2	Se[5]	C[5,6a]	C[5,5a]	3:3:	3:2:3:	3:3:2:	C[5,6a]-3:C[5,5a]-3:	C[5,6a]-3:Se[5]-2:C[6a]-3:	C[5,5a]-3:C[5,5a]-3:Se[5]-2:	Se[5](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5,5a]2)	C[5,6a](C[5,6a]C[5,5a]C[5,6a])(Se[5]C[5,5a])(C[6a]C[6a]H)	C[5,5a](C[5,5a]C[5,5a]Se[5])(C[5,5a]C[5,6a]S[5a])(Se[5]C[5,6a])	Se[5](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5,5a]2){1|Se<2>,1|H<1>,1|S<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[5,6a])(Se[5]C[5,5a])(C[6a]C[6a]H){1|H<1>,1|S<2>,3|C<3>}	C[5,5a](C[5,5a]C[5,5a]Se[5])(C[5,5a]C[5,6a]S[5a])(Se[5]C[5,6a]){4|C<3>}	86.3007	0.031	2	86.3007	0.001	2	86.3007	0.001	2	86.3007	0.001	2	85.7099	0.468	4	86.6827	1.394	17
997	727	727	5:SP3_SP2_SP2	Se[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,6a]-3:Se[5]-2:C[6a]-3:	C[5,6a,6a]-3:Se[5]-2:C[6a]-3:	Se[5](C[5,6a]C[5,6a,6a]C[6a])2	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(Se[5]C[5,6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(Se[5]C[5,6a])(C[6a]C[6a]H)	Se[5](C[5,6a]C[5,6a,6a]C[6a])2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(Se[5]C[5,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(Se[5]C[5,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	87.8866	0.000	1	87.8866	0.000	1	88.7096	0.656	3	87.1471	2.144	8	86.9820	1.329	13	86.6827	1.394	17
997	727	727	5:SP3_SP2_SP2	Se[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,6a]-3:Se[5]-2:C[6a]-3:	C[5,6a,6a]-3:Se[5]-2:C[6a]-3:	Se[5](C[5,6a]C[5,6a,6a]C[6a])2	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(Se[5]C[5,6a])(C[6a]C[6a]O)	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(Se[5]C[5,6a])(C[6a]C[6a]O)	Se[5](C[5,6a]C[5,6a,6a]C[6a])2{2|O<2>,4|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(Se[5]C[5,6a])(C[6a]C[6a]O){1|O<2>,4|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(Se[5]C[5,6a])(C[6a]C[6a]O){1|O<2>,4|C<3>}	89.1212	0.544	2	89.1212	0.296	2	88.7096	0.656	3	87.1471	2.144	8	86.9820	1.329	13	86.6827	1.394	17
997	727	727	5:SP3_SP2_SP2	Se[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:Se[5]-2:C[6a]-3:	C[5,6a]-3:Se[5]-2:C[6a]-3:	Se[5](C[5,6a]C[5,6a]C[6a])2	C[5,6a](C[5,6a]C[5,6a]C[6a])(Se[5]C[5,6a])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Se[5]C[5,6a])(C[6a]C[6a]C)	Se[5](C[5,6a]C[5,6a]C[6a])2{2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(Se[5]C[5,6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(Se[5]C[5,6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	86.7136	0.000	1	86.7136	0.000	1	86.2096	0.494	5	87.1471	2.144	8	86.9820	1.329	13	86.6827	1.394	17
997	727	727	5:SP3_SP2_SP2	Se[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:Se[5]-2:C[6a]-3:	C[5,6a]-3:Se[5]-2:C[6a]-3:	Se[5](C[5,6a]C[5,6a]C[6a])2	C[5,6a](C[5,6a]C[5,6a]C[6a])(Se[5]C[5,6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Se[5]C[5,6a])(C[6a]C[6a]H)	Se[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])(Se[5]C[5,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(Se[5]C[5,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	86.7246	0.105	2	86.7246	0.011	2	86.2096	0.494	5	87.1471	2.144	8	86.9820	1.329	13	86.6827	1.394	17
997	727	727	5:SP3_SP2_SP2	Se[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:Se[5]-2:C[6a]-3:	C[5,6a]-3:Se[5]-2:C[6a]-3:	Se[5](C[5,6a]C[5,6a]C[6a])2	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(Se[5]C[5,6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(Se[5]C[5,6a])(C[6a]C[6a]H)	Se[5](C[5,6a]C[5,6a]C[6a])2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(Se[5]C[5,6a])(C[6a]C[6a]H){1|Si<4>,4|C<3>}	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(Se[5]C[5,6a])(C[6a]C[6a]H){1|Si<4>,4|C<3>}	85.4425	0.059	2	85.4425	0.003	2	86.2096	0.494	5	87.1471	2.144	8	86.9820	1.329	13	86.6827	1.394	17
997	727	727	5:SP3_SP2_SP2	Se[5]	C[5,6a]	C[5,6a]	3:3:	3:3:2:	3:2:3:	C[5,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:Se[5]-2:	C[5,6a]-3:Se[5]-2:C[6a]-3:	Se[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]C[5])(Se[5]C[5,6a])	C[5,6a](C[5,6a]C[5,6a]C[6a])(Se[5]C[5,6a])(C[6a]C[6a]H)	Se[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]C[5])(Se[5]C[5,6a]){2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(Se[5]C[5,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	86.6195	0.063	2	86.6195	0.004	2	86.6195	0.004	2	86.8170	0.061	4	86.9820	1.329	13	86.6827	1.394	17
997	727	727	5:SP3_SP2_SP2	Se[5]	C[5,6a]	C[5,6a]	3:3:	3:3:2:	3:2:3:	C[5,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a]-3:Se[5]-2:C[6a]-3:	Se[5](C[5,6a]C[5,6a]C[6a])2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]H)(Se[5]C[5,6a])	C[5,6a](C[5,6a]C[5,6a]C[6a])(Se[5]C[5,6a])(C[6a]C[6a]H)	Se[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])(C[6a]C[5,6a]H)(Se[5]C[5,6a]){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(Se[5]C[5,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	87.0144	0.148	2	87.0144	0.022	2	87.0144	0.022	2	86.8170	0.061	4	86.9820	1.329	13	86.6827	1.394	17
997	727	727	5:SP3_SP2_SP2	Se[5]	C[5,6a]	C[5,6a]	3:3:	3:3:2:	3:3:2:	C[5,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[5,6a]-3:Se[5]-2:	C[6a,6a]-3:C[5,6a]-3:Se[5]-2:	Se[5](C[5,6a]C[6a,6a]C[5,6a])2	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(Se[5]C[5,6a])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(Se[5]C[5,6a])	Se[5](C[5,6a]C[6a,6a]C[5,6a])2{6|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(Se[5]C[5,6a]){2|H<1>,5|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(Se[5]C[5,6a]){2|H<1>,5|C<3>}	86.3217	0.000	1	86.3217	0.000	1	86.3217	0.000	1	86.3217	0.000	1	86.9820	1.329	13	86.6827	1.394	17
997	727	813	5:SP3_SP2_SP2	Se[5]	C[5,6a]	N[5,6a]	3:3:	3:2:3:	3:3:2:	C[5,6a]-3:N[5,6a]-3:	C[5,6a]-3:Se[5]-2:C[6a]-3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	Se[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[5,6a]C[6a])(Se[5]N[5,6a])(C[6a]C[6a]H)	N[5,6a](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a,6a]O)(Se[5]C[5,6a])	Se[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[5,6a]C[6a]){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(Se[5]N[5,6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	N[5,6a](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a,6a]O)(Se[5]C[5,6a]){4|C<3>}	83.1966	0.947	3	83.1966	0.896	3	83.1966	0.896	3	83.1966	0.896	3	83.1966	0.896	3	83.1966	0.896	3
997	727	818	5:SP3_SP2_SP2	Se[5]	C[5,5a]	C[5]	3:3:	3:2:2:	2:2:3:	C[5,5a]-3:C[5]-3:	C[5,5a]-3:S[5a]-2:Se[5]-2:	Se[5]-2:Se[5]-2:C[5]-3:	Se[5](C[5,5a]C[5,5a]S[5a])(C[5]Se[5]C[5])	C[5,5a](C[5,5a]S[5a]Se[5])(S[5a]C[5a])(Se[5]C[5])	C[5](Se[5]C[5,5a])2(C[5]Se[5]2)	Se[5](C[5,5a]C[5,5a]S[5a])(C[5]Se[5]C[5]){2|Se<2>,1|C<3>,1|S<2>}	C[5,5a](C[5,5a]S[5a]Se[5])(S[5a]C[5a])(Se[5]C[5]){1|C<3>,1|O<1>}	C[5](Se[5]C[5,5a])2(C[5]Se[5]2){2|C<3>,2|S<2>}	91.7360	1.317	2	91.7360	1.734	2	91.7360	1.734	2	91.7360	1.734	2	87.3721	3.948	14	86.7964	3.046	68
997	727	818	5:SP3_SP2_SP2	Se[5]	C[5,5a]	C[5]	3:3:	3:2:2:	3:2:4:	C[5,5a]-3:C[5]-3:	C[5,5a]-3:S[5a]-2:Se[5]-2:	C[5]-3:Se[5]-2:Si-4:	Se[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5]Si)	C[5,5a](C[5,5a]C[5,5a]C[5])(S[5a]C[5,5a])(Se[5]C[5])	C[5](C[5]C[5,5a]H)(Se[5]C[5,5a])(SiC3)	Se[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5]Si){1|H<1>,2|C<3>}	C[5,5a](C[5,5a]C[5,5a]C[5])(S[5a]C[5,5a])(Se[5]C[5]){1|Se<2>,1|Si<4>,1|C<3>,1|H<1>}	C[5](C[5]C[5,5a]H)(Se[5]C[5,5a])(SiC3){1|C<3>,1|S<2>}	87.0847	0.364	2	87.0847	0.132	2	87.0847	0.132	2	87.0847	0.132	2	87.3721	3.948	14	86.7964	3.046	68
997	727	818	5:SP3_SP2_SP2	Se[5]	C[5,5a]	C[5]	3:3:	3:3:2:	3:2:1:	C[5,5a]-3:C[5]-3:	C[5a,6a]-3:C[5,5a]-3:Se[5]-2:	C[5]-3:Se[5]-2:H-1:	Se[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]H)	C[5,5a](C[5a,6a]C[5a,6a]2)(C[5,5a]N[5a]C[5])(Se[5]C[5])	C[5](C[5]C[5,5a]H)(Se[5]C[5,5a])(H)	Se[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]H){1|H<1>,1|N<3>,2|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]2)(C[5,5a]N[5a]C[5])(Se[5]C[5]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5a]H)(Se[5]C[5,5a])(H){1|C<3>,1|N<3>}	86.0889	0.156	4	86.2320	0.130	6	86.2320	0.130	6	86.2320	0.130	6	87.3721	3.948	14	86.7964	3.046	68
997	727	818	5:SP3_SP2_SP2	Se[5]	C[5,5a]	C[5]	3:3:	3:3:2:	3:2:1:	C[5,5a]-3:C[5]-3:	C[5a,6a]-3:C[5,5a]-3:Se[5]-2:	C[5]-3:Se[5]-2:H-1:	Se[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]H)	C[5,5a](C[5a,6a]C[5a,6a]2)(C[5,5a]N[5a]C[5])(Se[5]C[5])	C[5](C[5]C[5,5a]H)(Se[5]C[5,5a])(H)	Se[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]H){1|H<1>,1|N<3>,2|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]2)(C[5,5a]N[5a]C[5])(Se[5]C[5]){1|N<2>,2|C<3>,3|H<1>}	C[5](C[5]C[5,5a]H)(Se[5]C[5,5a])(H){1|C<3>,1|N<3>}	86.5182	0.575	2	86.2320	0.130	6	86.2320	0.130	6	86.2320	0.130	6	87.3721	3.948	14	86.7964	3.046	68
997	727	818	5:SP3_SP2_SP2	Se[5]	C[5,5a]	C[5]	3:3:	3:3:2:	3:2:3:	C[5,5a]-3:C[5]-3:	N[5,5a]-3:C[5a]-3:Se[5]-2:	C[5]-3:Se[5]-2:C[6a]-3:	Se[5](C[5,5a]N[5,5a]C[5a])(C[5]C[6a]C[5])	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)(Se[5]C[5])	C[5](C[5]N[5,5a]Se)(Se[5]C[5,5a])(C[6a]C[6a]2)	Se[5](C[5,5a]N[5,5a]C[5a])(C[5]C[6a]C[5]){1|Se<2>,1|H<1>,4|C<3>}	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)(Se[5]C[5]){1|Se<2>,3|C<3>}	C[5](C[5]N[5,5a]Se)(Se[5]C[5,5a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	86.2817	0.017	2	86.2817	0.000	2	86.2817	0.000	2	86.2817	0.000	2	87.3721	3.948	14	86.7964	3.046	68
997	727	818	5:SP3_SP2_SP2	Se[5]	C[5,5a]	C[5]	3:3:	3:3:2:	3:2:4:	C[5,5a]-3:C[5]-3:	C[5,5a]-3:C[5,5a]-3:Se[5]-2:	C[5]-3:Se[5]-2:Si-4:	Se[5](C[5,5a]C[5,5a]2)(C[5]C[5]Si)	C[5,5a](C[5,5a]C[5,5a]Se[5])(C[5,5a]S[5a]C[5])(Se[5]C[5])	C[5](C[5]C[5,5a]H)(Se[5]C[5,5a])(SiC3)	Se[5](C[5,5a]C[5,5a]2)(C[5]C[5]Si){1|Se<2>,1|C<3>,1|H<1>,1|S<2>}	C[5,5a](C[5,5a]C[5,5a]Se[5])(C[5,5a]S[5a]C[5])(Se[5]C[5]){1|Si<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,5a]H)(Se[5]C[5,5a])(SiC3){1|C<3>,1|S<2>}	87.8062	0.041	2	87.8062	0.002	2	87.8062	0.002	2	87.8062	0.002	2	87.3721	3.948	14	86.7964	3.046	68
997	727	818	5:SP3_SP2_SP2	Se[5]	C[5,6a]	C[5,5]	3:3:	3:3:2:	3:2:2:	C[5,6a]-3:C[5,5]-3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,5]-3:Se[5]-2:Se[5]-2:	Se[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]Se[5])	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(Se[5]C[5,5])	C[5,5](C[5,5]C[5,6a]C[5])(Se[5]C[5,6a])(Se[5]C[5])	Se[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]Se[5]){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(Se[5]C[5,5]){1|Se<2>,2|C<3>,2|H<1>}	C[5,5](C[5,5]C[5,6a]C[5])(Se[5]C[5,6a])(Se[5]C[5]){4|C<3>}	85.5920	0.039	2	85.5920	0.002	2	85.4552	0.122	4	85.4552	0.122	4	86.1814	0.427	11	86.7964	3.046	68
997	727	818	5:SP3_SP2_SP2	Se[5]	C[5,6a]	C[5,5]	3:3:	3:3:2:	3:2:2:	C[5,6a]-3:C[5,5]-3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,5]-3:Se[5]-2:Se[5]-2:	Se[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]Se[5])	C[5,6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(Se[5]C[5,5])	C[5,5](C[5,5]C[5,6a]C[5,5])(Se[5]C[5,6a])(Se[5]C[5,5])	Se[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]Se[5]){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(Se[5]C[5,5]){1|Se<2>,1|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5,5])(Se[5]C[5,6a])(Se[5]C[5,5]){1|Se<2>,3|C<3>}	85.3185	0.538	2	85.3185	0.289	2	85.4552	0.122	4	85.4552	0.122	4	86.1814	0.427	11	86.7964	3.046	68
997	727	818	5:SP3_SP2_SP2	Se[5]	C[5,6a]	C[5,5]	3:3:	3:3:2:	3:3:2:	C[5,5]-3:C[5,6a]-3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a]-3:C[5,5]-3:Se[5]-2:	Se[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[5,6a]H)(Se[5]C[5,5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]Si[5])(Se[5]C[5,6a])	Se[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a]){1|Si<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[5,6a]H)(Se[5]C[5,5]){1|Si<4>,1|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]Si[5])(Se[5]C[5,6a]){1|H<1>,2|C<4>,4|C<3>}	86.2675	0.015	2	86.2675	0.000	2	86.5963	0.098	7	86.5963	0.098	7	86.1814	0.427	11	86.7964	3.046	68
997	727	818	5:SP3_SP2_SP2	Se[5]	C[5,6a]	C[5,5]	3:3:	3:3:2:	3:3:2:	C[5,5]-3:C[5,6a]-3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a]-3:C[5,5]-3:Se[5]-2:	Se[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(Se[5]C[5,5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]Se[5])(Se[5]C[5,6a])	Se[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a]){1|Se<2>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(Se[5]C[5,5]){1|Se<2>,1|C<4>,1|H<1>,2|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]Se[5])(Se[5]C[5,6a]){1|H<1>,4|C<3>}	86.8875	0.435	2	86.7278	0.072	5	86.5963	0.098	7	86.5963	0.098	7	86.1814	0.427	11	86.7964	3.046	68
997	727	818	5:SP3_SP2_SP2	Se[5]	C[5,6a]	C[5,5]	3:3:	3:3:2:	3:3:2:	C[5,5]-3:C[5,6a]-3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a]-3:C[5,5]-3:Se[5]-2:	Se[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(Se[5]C[5,5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]Se[5])(Se[5]C[5,6a])	Se[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a]){1|Se<2>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(Se[5]C[5,5]){1|Se<2>,1|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]Se[5])(Se[5]C[5,6a]){1|H<1>,4|C<3>}	86.6197	0.000	1	86.7278	0.072	5	86.5963	0.098	7	86.5963	0.098	7	86.1814	0.427	11	86.7964	3.046	68
997	727	818	5:SP3_SP2_SP2	Se[5]	C[5,6a]	C[5,5]	3:3:	3:3:2:	3:3:2:	C[5,5]-3:C[5,6a]-3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a]-3:C[5,5]-3:Se[5]-2:	Se[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(Se[5]C[5,5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]Se[5])(Se[5]C[5,6a])	Se[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a]){1|Se<2>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(Se[5]C[5,5]){1|Se<2>,2|C<3>,2|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]Se[5])(Se[5]C[5,6a]){1|H<1>,4|C<3>}	86.6222	0.111	2	86.7278	0.072	5	86.5963	0.098	7	86.5963	0.098	7	86.1814	0.427	11	86.7964	3.046	68
997	727	818	5:SP3_SP2_SP2	Se[5]	C[5,6a]	C[5,6]	3:3:	3:3:2:	3:3:2:	C[5,6a]-3:C[5,6]-3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6]-3:C[5,6]-3:Se[5]-2:	Se[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(Se[5]C[5,6])	C[5,6](C[5,6]C[5,6a]Se[6])(C[5,6]C[5,6]Se[5])(Se[5]C[5,6a])	Se[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2){2|Se<2>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(Se[5]C[5,6]){1|Se<2>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5,6a]Se[6])(C[5,6]C[5,6]Se[5])(Se[5]C[5,6a]){1|Se<2>,4|C<3>}	86.9203	0.394	2	86.9203	0.156	2	86.9203	0.156	2	86.9203	0.156	2	86.9203	0.156	2	86.7964	3.046	68
997	727	818	5:SP3_SP2_SP2	Se[5]	C[5,6a]	C[5]	3:3:	3:2:2:	2:2:3:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:N[6a]-2:Se[5]-2:	Se[5]-2:Se[5]-2:C[5]-3:	Se[5](C[5,6a]C[5,6a]N[6a])(C[5]Se[5]C[5])	C[5,6a](C[5,6a]N[6a]Se[5])(N[6a]C[6a])(Se[5]C[5])	C[5](Se[5]C[5,6a])2(C[5]S[5]2)	Se[5](C[5,6a]C[5,6a]N[6a])(C[5]Se[5]C[5]){1|C<3>,1|N<2>,2|S<2>}	C[5,6a](C[5,6a]N[6a]Se[5])(N[6a]C[6a])(Se[5]C[5]){1|H<1>,2|C<3>}	C[5](Se[5]C[5,6a])2(C[5]S[5]2){2|C<3>,2|N<2>}	93.0179	0.700	2	93.0179	0.491	2	93.0179	0.491	2	93.0179	0.491	2	86.7588	3.487	41	86.7964	3.046	68
997	727	818	5:SP3_SP2_SP2	Se[5]	C[5,6a]	C[5]	3:3:	3:3:2:	2:2:2:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	Se[5]-2:N[5]-2:S-2:	Se[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(Se[5]C[5])	C[5](Se[5]C[5,6a])(N[5]C[5,6a])(SC)	Se[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(Se[5]C[5]){1|C<3>,1|S<2>,2|H<1>}	C[5](Se[5]C[5,6a])(N[5]C[5,6a])(SC){2|C<3>}	83.9087	0.389	3	83.9087	0.152	3	83.9087	0.152	3	83.9087	0.152	3	86.7588	3.487	41	86.7964	3.046	68
997	727	818	5:SP3_SP2_SP2	Se[5]	C[5,6a]	C[5]	3:3:	3:3:2:	2:3:2:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	Se[5]-2:C[6a]-3:N[5]-2:	Se[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(Se[5]C[5])	C[5](Se[5]C[5,6a])(C[6a]C[6a]2)(N[5]C[5,6a])	Se[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(Se[5]C[5]){2|C<3>,2|H<1>}	C[5](Se[5]C[5,6a])(C[6a]C[6a]2)(N[5]C[5,6a]){1|H<1>,1|O<2>,4|C<3>}	84.8520	0.000	1	84.8520	0.000	1	84.8520	0.000	1	84.6130	0.066	3	86.7588	3.487	41	86.7964	3.046	68
997	727	818	5:SP3_SP2_SP2	Se[5]	C[5,6a]	C[5]	3:3:	3:3:2:	2:3:2:	C[5,6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:Se[5]-2:	Se[5]-2:C[6a]-3:N[5]-2:	Se[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]N[5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(Se[5]C[5])	C[5](Se[5]C[5,6a])(C[6a]C[6a]2)(N[5]C[5,6a])	Se[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]N[5]){5|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(Se[5]C[5]){2|H<1>,4|C<3>}	C[5](Se[5]C[5,6a])(C[6a]C[6a]2)(N[5]C[5,6a]){2|H<1>,4|C<3>}	84.4935	0.214	2	84.4935	0.046	2	84.4935	0.046	2	84.6130	0.066	3	86.7588	3.487	41	86.7964	3.046	68
997	727	818	5:SP3_SP2_SP2	Se[5]	C[5,6a]	C[5]	3:3:	3:3:2:	3:2:1:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5]-3:Se[5]-2:H-1:	Se[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(Se[5]C[5])	C[5](C[5]C[5,6a]S)(Se[5]C[5,6a])(H)	Se[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H){1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(Se[5]C[5]){1|S<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]S)(Se[5]C[5,6a])(H){2|C<3>}	86.7890	0.000	1	86.7890	0.000	1	86.7259	0.058	4	86.9530	0.484	7	86.7588	3.487	41	86.7964	3.046	68
997	727	818	5:SP3_SP2_SP2	Se[5]	C[5,6a]	C[5]	3:3:	3:3:2:	3:2:1:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5]-3:Se[5]-2:H-1:	Se[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(Se[5]C[5])	C[5](C[5]C[5,6a]Se)(Se[5]C[5,6a])(H)	Se[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H){1|Se<2>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(Se[5]C[5]){1|Se<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]Se)(Se[5]C[5,6a])(H){2|C<3>}	86.8714	0.041	2	86.8714	0.002	2	86.7259	0.058	4	86.9530	0.484	7	86.7588	3.487	41	86.7964	3.046	68
997	727	818	5:SP3_SP2_SP2	Se[5]	C[5,6a]	C[5]	3:3:	3:3:2:	3:2:1:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5]-3:Se[5]-2:H-1:	Se[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]I)(Se[5]C[5])	C[5](C[5]C[5,6a]H)(Se[5]C[5,6a])(H)	Se[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H){1|H<1>,1|I<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]I)(Se[5]C[5]){1|C<3>,1|O<2>,3|H<1>}	C[5](C[5]C[5,6a]H)(Se[5]C[5,6a])(H){2|C<3>}	86.3717	0.000	1	86.3717	0.000	1	86.7259	0.058	4	86.9530	0.484	7	86.7588	3.487	41	86.7964	3.046	68
997	727	818	5:SP3_SP2_SP2	Se[5]	C[5,6a]	C[5]	3:3:	3:3:2:	3:2:1:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	N[5]-3:Se[5]-2:S-1:	Se[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(Se[5]C[5])	C[5](N[5]C[5,6a]C)(Se[5]C[5,6a])(S)	Se[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S){1|C<2>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(Se[5]C[5]){1|C<2>,1|C<3>,1|S<1>,2|H<1>}	C[5](N[5]C[5,6a]C)(Se[5]C[5,6a])(S){2|C<3>}	87.9004	0.000	1	87.8675	0.002	2	87.8675	0.002	2	86.9530	0.484	7	86.7588	3.487	41	86.7964	3.046	68
997	727	818	5:SP3_SP2_SP2	Se[5]	C[5,6a]	C[5]	3:3:	3:3:2:	3:2:1:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	N[5]-3:Se[5]-2:S-1:	Se[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(Se[5]C[5])	C[5](N[5]C[5,6a]C)(Se[5]C[5,6a])(S)	Se[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(Se[5]C[5]){1|S<1>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]C)(Se[5]C[5,6a])(S){2|C<3>}	87.8347	0.000	1	87.8675	0.002	2	87.8675	0.002	2	86.9530	0.484	7	86.7588	3.487	41	86.7964	3.046	68
997	727	818	5:SP3_SP2_SP2	Se[5]	C[5,6a]	C[5]	3:3:	3:3:2:	3:2:1:	C[5,6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:Se[5]-2:	C[5]-3:Se[5]-2:H-1:	Se[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(Se[5]C[5])	C[5](C[5]C[5,6a]H)(Se[5]C[5,6a])(H)	Se[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]H){1|H<1>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(Se[5]C[5]){3|C<3>,4|H<1>}	C[5](C[5]C[5,6a]H)(Se[5]C[5,6a])(H){2|C<3>}	86.0322	0.000	1	86.0322	0.000	1	86.0322	0.000	1	86.9530	0.484	7	86.7588	3.487	41	86.7964	3.046	68
997	727	818	5:SP3_SP2_SP2	Se[5]	C[5,6a]	C[5]	3:3:	3:3:2:	3:2:3:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5]-3:Se[5]-2:C-3:	Se[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]C[5])	C[5](C[5]C[5,6a]C)(Se[5]C[5,6a])(CC[6a]O)	Se[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]C[5]){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]C)(Se[5]C[5,6a])(CC[6a]O){2|C<3>}	86.8911	0.000	1	86.8911	0.000	1	86.8911	0.000	1	86.7182	0.264	17	86.7588	3.487	41	86.7964	3.046	68
997	727	818	5:SP3_SP2_SP2	Se[5]	C[5,6a]	C[5]	3:3:	3:3:2:	3:2:3:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5]-3:Se[5]-2:C[6a]-3:	Se[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(Se[5]C[5])	C[5](C[5]C[5,6a]H)(Se[5]C[5,6a])(C[6a]C[6a]2)	Se[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(Se[5]C[5]){2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]H)(Se[5]C[5,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	87.0056	0.462	2	87.0056	0.213	2	87.0056	0.213	2	86.7182	0.264	17	86.7588	3.487	41	86.7964	3.046	68
997	727	818	5:SP3_SP2_SP2	Se[5]	C[5,6a]	C[5]	3:3:	3:3:2:	3:2:3:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	N[5]-3:Se[5]-2:C-3:	Se[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(Se[5]C[5])	C[5](N[5]C[5,6a]C)(Se[5]C[5,6a])(CCH)	Se[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(Se[5]C[5]){1|C<4>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]C)(Se[5]C[5,6a])(CCH){2|C<3>}	86.4549	0.390	7	86.4549	0.152	7	86.5463	0.102	13	86.7182	0.264	17	86.7588	3.487	41	86.7964	3.046	68
997	727	818	5:SP3_SP2_SP2	Se[5]	C[5,6a]	C[5]	3:3:	3:3:2:	3:2:3:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	N[5]-3:Se[5]-2:C-3:	Se[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(Se[5]C[5])	C[5](N[5]C[5,6a]C)(Se[5]C[5,6a])(CC[4]H)	Se[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(Se[5]C[5]){1|C<4>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]C)(Se[5]C[5,6a])(CC[4]H){2|C<3>}	86.5625	0.062	4	86.5625	0.004	4	86.5463	0.102	13	86.7182	0.264	17	86.7588	3.487	41	86.7964	3.046	68
997	727	818	5:SP3_SP2_SP2	Se[5]	C[5,6a]	C[5]	3:3:	3:3:2:	3:2:3:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	N[5]-3:Se[5]-2:C-3:	Se[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(Se[5]C[5])	C[5](N[5]C[5,6a]C)(Se[5]C[5,6a])(CC[4a]H)	Se[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(Se[5]C[5]){1|C<4>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]C)(Se[5]C[5,6a])(CC[4a]H){2|C<3>}	86.6394	0.000	1	86.6394	0.000	1	86.5463	0.102	13	86.7182	0.264	17	86.7588	3.487	41	86.7964	3.046	68
997	727	818	5:SP3_SP2_SP2	Se[5]	C[5,6a]	C[5]	3:3:	3:3:2:	3:2:3:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	N[5]-3:Se[5]-2:C-3:	Se[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(Se[5]C[5])	C[5](N[5]C[5,6a]C)(Se[5]C[5,6a])(CC[6]H)	Se[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(Se[5]C[5]){1|C<4>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]C)(Se[5]C[5,6a])(CC[6]H){2|C<3>}	87.0280	0.000	1	87.0280	0.000	1	86.5463	0.102	13	86.7182	0.264	17	86.7588	3.487	41	86.7964	3.046	68
997	727	818	5:SP3_SP2_SP2	Se[5]	C[5,6a]	C[5]	3:3:	3:3:2:	3:2:3:	C[5,6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:Se[5]-2:	C[5]-3:Se[5]-2:C[6a]-3:	Se[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(Se[5]C[5])	C[5](C[5]C[5,6a]H)(Se[5]C[5,6a])(C[6a]C[6a]2)	Se[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5]){1|H<1>,5|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(Se[5]C[5]){1|C<4>,1|H<1>,5|C<3>}	C[5](C[5]C[5,6a]H)(Se[5]C[5,6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,4|C<3>}	88.2048	0.000	1	88.2048	0.000	1	88.2048	0.000	1	86.7182	0.264	17	86.7588	3.487	41	86.7964	3.046	68
997	727	818	5:SP3_SP2_SP2	Se[5]	C[5,6a]	C[5]	3:3:	3:3:2:	3:2:4:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5]-3:Se[5]-2:C-4:	Se[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)(Se[5]C[5])	C[5](C[5]C[5,6a]H)(Se[5]C[5,6a])(CCHH)	Se[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)(Se[5]C[5]){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5](C[5]C[5,6a]H)(Se[5]C[5,6a])(CCHH){2|C<3>}	87.3226	0.035	2	87.3226	0.001	2	87.3226	0.001	2	87.9348	0.313	5	86.7588	3.487	41	86.7964	3.046	68
997	727	818	5:SP3_SP2_SP2	Se[5]	C[5,6a]	C[5]	3:3:	3:3:2:	3:2:4:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5]-3:Se[5]-2:Si-4:	Se[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Si)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Se[5]C[5])	C[5](C[5]C[5,6a]H)(Se[5]C[5,6a])(SiC3)	Se[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Si){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Se[5]C[5]){1|Si<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]H)(Se[5]C[5,6a])(SiC3){2|C<3>}	88.3558	0.027	2	88.3558	0.001	2	88.3429	0.001	3	87.9348	0.313	5	86.7588	3.487	41	86.7964	3.046	68
997	727	818	5:SP3_SP2_SP2	Se[5]	C[5,6a]	C[5]	3:3:	3:3:2:	3:2:4:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5]-3:Se[5]-2:Si-4:	Se[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Si)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]B[5])(Se[5]C[5])	C[5](C[5]C[5,6a]H)(Se[5]C[5,6a])(SiC3)	Se[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Si){1|B<3>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]B[5])(Se[5]C[5]){1|Si<4>,1|B<3>,1|H<1>,2|C<3>,2|O<2>}	C[5](C[5]C[5,6a]H)(Se[5]C[5,6a])(SiC3){2|C<3>}	88.3171	0.000	1	88.3171	0.000	1	88.3429	0.001	3	87.9348	0.313	5	86.7588	3.487	41	86.7964	3.046	68
997	727	818	5:SP3_SP2_SP2	Se[5]	C[5,6a]	C[5]	3:3:	3:3:2:	3:3:2:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5]-3:C[6]-3:Se[5]-2:	Se[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]C[5])	C[5](C[5]C[5,6a]Pt)(C[6]C[6]N[6])(Se[5]C[5,6a])	Se[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]){1|Pt<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]C[5]){1|Pt<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]Pt)(C[6]C[6]N[6])(Se[5]C[5,6a]){1|H<1>,4|C<3>}	85.3132	0.215	3	85.3132	0.046	3	85.3132	0.046	3	85.7388	0.755	4	86.7588	3.487	41	86.7964	3.046	68
997	727	818	5:SP3_SP2_SP2	Se[5]	C[5,6a]	C[5]	3:3:	3:3:2:	3:3:2:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[6a]-3:C[5]-3:Se[5]-2:	Se[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]C[5])	C[5](C[6a]C[6a]N[6a])(C[5]C[5,6a]H)(Se[5]C[5,6a])	Se[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]){1|N<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]C[5]){2|C<3>,3|H<1>}	C[5](C[6a]C[6a]N[6a])(C[5]C[5,6a]H)(Se[5]C[5,6a]){1|H<1>,4|C<3>}	87.0156	0.000	1	87.0156	0.000	1	87.0156	0.000	1	85.7388	0.755	4	86.7588	3.487	41	86.7964	3.046	68
997	727	976	5:SP3_SP2_SP3	Se[5]	C[5,6a]	O[5]	3:2:	3:3:2:	4:2:	C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5]-4:Se[5]-2:	Se[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(Se[5]O[5])	O[5](C[5]C[5,6a]CC)(Se[5]C[5,6a])	Se[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5]){2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(Se[5]O[5]){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[5,6a]CC)(Se[5]C[5,6a]){2|C<3>}	85.7010	1.249	2	85.7010	1.559	2	85.7010	1.559	2	85.7010	1.559	2	85.7010	1.559	2	85.7010	1.559	2
997	727	997	5:SP3_SP2_SP3	Se[5]	C[5,6a]	Se[5]	3:2:	3:3:2:	2:2:	C[5,6a]-3:Se[5]-2:	C[5,6a]-3:C[6a]-3:Se[5]-2:	Se[5]-2:N[5]-2:	Se[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(Se[5]Se[5])	Se[5](Se[5]C[5,6a])(N[5]C[5,6a])	Se[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5]){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(Se[5]Se[5]){1|C<3>,2|H<1>}	Se[5](Se[5]C[5,6a])(N[5]C[5,6a]){2|C<3>}	88.7332	0.000	1	88.7332	0.000	1	88.7332	0.000	1	89.2475	0.529	2	90.9930	1.389	14	90.9930	1.389	14
997	727	997	5:SP3_SP2_SP3	Se[5]	C[5,6a]	Se[5]	3:2:	3:3:2:	2:2:	C[5,6a]-3:Se[5]-2:	C[6a,6a]-3:C[5,6a]-3:Se[5]-2:	Se[5]-2:N[5]-2:	Se[5](C[5,6a]C[6a,6a]C[5,6a])(Se[5]N[5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(Se[5]Se[5])	Se[5](Se[5]C[5,6a])(N[5]C[5,6a])	Se[5](C[5,6a]C[6a,6a]C[5,6a])(Se[5]N[5]){3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(Se[5]Se[5]){2|H<1>,3|C<3>}	Se[5](Se[5]C[5,6a])(N[5]C[5,6a]){2|C<3>}	89.7619	0.000	1	89.7619	0.000	1	89.7619	0.000	1	89.2475	0.529	2	90.9930	1.389	14	90.9930	1.389	14
997	727	997	5:SP3_SP2_SP3	Se[5]	C[5,6a]	Se[5]	3:2:	3:3:2:	3:2:	C[5,6a]-3:Se[5]-2:	C[5,6a,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a]-3:Se[5]-2:	Se[5](C[5,6a]C[5,6a,6a]C[6a])(Se[5]C[5,6a])	C[5,6a](C[5,6a,6a]C[6,6a,6a]C[5,6a])(C[6a]C[6a]Cl)(Se[5]Se[5])	Se[5](C[5,6a]C[5,6a,6a]C[6a])(Se[5]C[5,6a])	Se[5](C[5,6a]C[5,6a,6a]C[6a])(Se[5]C[5,6a]){1|Cl<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6,6a,6a]C[5,6a])(C[6a]C[6a]Cl)(Se[5]Se[5]){1|H<1>,3|C<3>}	Se[5](C[5,6a]C[5,6a,6a]C[6a])(Se[5]C[5,6a]){1|Cl<1>,3|C<3>}	91.6887	0.278	4	91.6887	0.077	4	91.2839	0.947	12	91.2839	0.947	12	90.9930	1.389	14	90.9930	1.389	14
997	727	997	5:SP3_SP2_SP3	Se[5]	C[5,6a]	Se[5]	3:2:	3:3:2:	3:2:	C[5,6a]-3:Se[5]-2:	C[5,6a,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a]-3:Se[5]-2:	Se[5](C[5,6a]C[5,6a,6a]C[6a])(Se[5]C[5,6a])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]C)(Se[5]Se[5])	Se[5](C[5,6a]C[5,6a,6a]C[6a])(Se[5]C[5,6a])	Se[5](C[5,6a]C[5,6a,6a]C[6a])(Se[5]C[5,6a]){1|C<4>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]C)(Se[5]Se[5]){1|H<1>,3|C<3>}	Se[5](C[5,6a]C[5,6a,6a]C[6a])(Se[5]C[5,6a]){1|H<1>,3|C<3>}	90.9664	0.246	2	90.1251	2.154	3	91.2839	0.947	12	91.2839	0.947	12	90.9930	1.389	14	90.9930	1.389	14
997	727	997	5:SP3_SP2_SP3	Se[5]	C[5,6a]	Se[5]	3:2:	3:3:2:	3:2:	C[5,6a]-3:Se[5]-2:	C[5,6a,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a]-3:Se[5]-2:	Se[5](C[5,6a]C[5,6a,6a]C[6a])(Se[5]C[5,6a])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]C)(Se[5]Se[5])	Se[5](C[5,6a]C[5,6a,6a]C[6a])(Se[5]C[5,6a])	Se[5](C[5,6a]C[5,6a,6a]C[6a])(Se[5]C[5,6a]){4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]C)(Se[5]Se[5]){1|H<1>,3|C<3>}	Se[5](C[5,6a]C[5,6a,6a]C[6a])(Se[5]C[5,6a]){1|H<1>,3|C<3>}	88.4424	0.000	1	90.1251	2.154	3	91.2839	0.947	12	91.2839	0.947	12	90.9930	1.389	14	90.9930	1.389	14
997	727	997	5:SP3_SP2_SP3	Se[5]	C[5,6a]	Se[5]	3:2:	3:3:2:	3:2:	C[5,6a]-3:Se[5]-2:	C[5,6a,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a]-3:Se[5]-2:	Se[5](C[5,6a]C[5,6a,6a]C[6a])(Se[5]C[5,6a])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(Se[5]Se[5])	Se[5](C[5,6a]C[5,6a,6a]C[6a])(Se[5]C[5,6a])	Se[5](C[5,6a]C[5,6a,6a]C[6a])(Se[5]C[5,6a]){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(Se[5]Se[5]){1|H<1>,3|C<3>}	Se[5](C[5,6a]C[5,6a,6a]C[6a])(Se[5]C[5,6a]){1|C<4>,3|C<3>}	91.7759	0.419	2	91.8445	0.102	3	91.2839	0.947	12	91.2839	0.947	12	90.9930	1.389	14	90.9930	1.389	14
997	727	997	5:SP3_SP2_SP3	Se[5]	C[5,6a]	Se[5]	3:2:	3:3:2:	3:2:	C[5,6a]-3:Se[5]-2:	C[5,6a,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a]-3:Se[5]-2:	Se[5](C[5,6a]C[5,6a,6a]C[6a])(Se[5]C[5,6a])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(Se[5]Se[5])	Se[5](C[5,6a]C[5,6a,6a]C[6a])(Se[5]C[5,6a])	Se[5](C[5,6a]C[5,6a,6a]C[6a])(Se[5]C[5,6a]){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(Se[5]Se[5]){1|H<1>,3|C<3>}	Se[5](C[5,6a]C[5,6a,6a]C[6a])(Se[5]C[5,6a]){4|C<3>}	91.9819	0.000	1	91.8445	0.102	3	91.2839	0.947	12	91.2839	0.947	12	90.9930	1.389	14	90.9930	1.389	14
997	727	997	5:SP3_SP2_SP3	Se[5]	C[5,6a]	Se[5]	3:2:	3:3:2:	3:2:	C[5,6a]-3:Se[5]-2:	C[5,6a,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a]-3:Se[5]-2:	Se[5](C[5,6a]C[5,6a,6a]C[6a])(Se[5]C[5,6a])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)(Se[5]Se[5])	Se[5](C[5,6a]C[5,6a,6a]C[6a])(Se[5]C[5,6a])	Se[5](C[5,6a]C[5,6a,6a]C[6a])(Se[5]C[5,6a]){1|O<2>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)(Se[5]Se[5]){1|H<1>,3|C<3>}	Se[5](C[5,6a]C[5,6a,6a]C[6a])(Se[5]C[5,6a]){1|O<2>,3|C<3>}	91.3715	0.174	2	91.3715	0.030	2	91.2839	0.947	12	91.2839	0.947	12	90.9930	1.389	14	90.9930	1.389	14
997	786	786	5:SP3_SP3_SP3	Se[5]	B[5]	B[5]	4:4:	3:2:2:2:	3:2:2:2:	B[5]-4:B[5]-4:	C[5]-3:Se[5]-2:Se[5]-2:C-2:	C[5]-3:Se[5]-2:Se[5]-2:C-2:	Se[5](B[5]Se[5]C[5]C)2	B[5](C[5]C[5]N[5])(Se[5]Se[5])(Se[5]B[5])(CN)	B[5](C[5]C[5]N[5])(Se[5]Se[5])(Se[5]B[5])(CN)	Se[5](B[5]Se[5]C[5]C)2{2|C<4>,2|N<3>}	B[5](C[5]C[5]N[5])(Se[5]Se[5])(Se[5]B[5])(CN){1|C<2>,2|C<3>,4|C<4>}	B[5](C[5]C[5]N[5])(Se[5]Se[5])(Se[5]B[5])(CN){1|C<2>,2|C<3>,4|C<4>}	99.9139	0.000	1	99.9139	0.000	1	99.9139	0.000	1	99.9139	0.000	1	99.9139	0.000	1	99.9139	0.000	1
997	786	997	5:SP3_SP3_SP3	Se[5]	B[5]	Se[5]	4:2:	3:2:2:2:	4:2:	B[5]-4:Se[5]-2:	C[5]-3:Se[5]-2:Se[5]-2:C-2:	B[5]-4:Se[5]-2:	Se[5](B[5]Se[5]C[5]C)(Se[5]B[5])	B[5](C[5]C[5]N[5])(Se[5]Se[5])(Se[5]B[5])(CN)	Se[5](B[5]Se[5]C[5]C)(Se[5]B[5])	Se[5](B[5]Se[5]C[5]C)(Se[5]B[5]){1|C<2>,1|C<3>,1|C<4>,1|N<3>}	B[5](C[5]C[5]N[5])(Se[5]Se[5])(Se[5]B[5])(CN){1|C<2>,2|C<3>,4|C<4>}	Se[5](B[5]Se[5]C[5]C)(Se[5]B[5]){1|C<2>,1|C<3>,1|C<4>,1|N<3>}	93.6609	0.000	1	93.6609	0.000	1	93.6609	0.000	1	93.6609	0.000	1	93.6609	0.000	1	93.6609	0.000	1
997	818	818	5:SP3_SP2_SP2	Se[5]	C[5,5]	C[5,5]	3:3:	3:2:2:	3:2:2:	C[5,5]-3:C[5,5]-3:	C[5,5]-3:Se[5]-2:Se[5]-2:	C[5,5]-3:Se[5]-2:Se[5]-2:	Se[5](C[5,5]C[5,5]Se[5])2	C[5,5](C[5,5]C[5,5]C[5])(Se[5]C[5,5])(Se[5]C[5])	C[5,5](C[5,5]C[5,5]C[5])(Se[5]C[5,5])(Se[5]C[5])	Se[5](C[5,5]C[5,5]Se[5])2{4|C<3>}	C[5,5](C[5,5]C[5,5]C[5])(Se[5]C[5,5])(Se[5]C[5]){1|Se<2>,1|Si<4>,1|C<3>,1|H<1>}	C[5,5](C[5,5]C[5,5]C[5])(Se[5]C[5,5])(Se[5]C[5]){1|Se<2>,1|Si<4>,1|C<3>,1|H<1>}	85.7649	0.122	2	85.7649	0.015	2	85.2917	0.464	4	85.2917	0.464	4	84.9016	1.109	5	91.2851	10.883	374
997	818	818	5:SP3_SP2_SP2	Se[5]	C[5,5]	C[5,5]	3:3:	3:2:2:	3:2:2:	C[5,5]-3:C[5,5]-3:	C[5,5]-3:Se[5]-2:Se[5]-2:	C[5,5]-3:Se[5]-2:Se[5]-2:	Se[5](C[5,5]C[5,5]Se[5])2	C[5,5](C[5,5]C[5,5]C[5])(Se[5]C[5,5])(Se[5]C[5])	C[5,5](C[5,5]C[5,6a]C[5,5])(Se[5]C[5,6a])(Se[5]C[5,5])	Se[5](C[5,5]C[5,5]Se[5])2{4|C<3>}	C[5,5](C[5,5]C[5,5]C[5])(Se[5]C[5,5])(Se[5]C[5]){1|Se<2>,1|Si<4>,1|C<3>,1|H<1>}	C[5,5](C[5,5]C[5,6a]C[5,5])(Se[5]C[5,6a])(Se[5]C[5,5]){1|Se<2>,3|C<3>}	84.8184	0.694	2	84.8184	0.481	2	85.2917	0.464	4	85.2917	0.464	4	84.9016	1.109	5	91.2851	10.883	374
997	818	818	5:SP3_SP2_SP2	Se[5]	C[5,5]	C[5,5]	3:3:	3:2:3:	3:2:3:	C[5,5]-3:C[5,5]-3:	C[5,5]-3:Se[5]-2:N[5]-3:	C[5,5]-3:Se[5]-2:N[5]-3:	Se[5](C[5,5]C[5,5]N[5])2	C[5,5](C[5,5]C[5,5]S[5])(Se[5]C[5,5])(N[5]C[5]C)	C[5,5](C[5,5]C[5,5]S[5])(Se[5]C[5,5])(N[5]C[5]C)	Se[5](C[5,5]C[5,5]N[5])2{2|C<3>,2|C<4>,2|S<2>}	C[5,5](C[5,5]C[5,5]S[5])(Se[5]C[5,5])(N[5]C[5]C){1|N<3>,1|S<1>,1|S<2>}	C[5,5](C[5,5]C[5,5]S[5])(Se[5]C[5,5])(N[5]C[5]C){1|N<3>,1|S<1>,1|S<2>}	83.3412	0.000	1	83.3412	0.000	1	83.3412	0.000	1	83.3412	0.000	1	84.9016	1.109	5	91.2851	10.883	374
997	818	818	5:SP3_SP2_SP2	Se[5]	C[5,5]	C[5]	3:3:	3:2:2:	2:2:3:	C[5,5]-3:C[5]-3:	C[5,5]-3:Se[5]-2:S[5]-2:	Se[5]-2:Se[5]-2:C[5]-3:	Se[5](C[5,5]C[5,5]S[5])(C[5]Se[5]C[5])	C[5,5](C[5,5]Se[5]S[5])(Se[5]C[5])(S[5]C[5])	C[5](Se[5]C[5,5])2(C[5]Se[5]2)	Se[5](C[5,5]C[5,5]S[5])(C[5]Se[5]C[5]){2|Se<2>,1|C<3>,1|S<2>}	C[5,5](C[5,5]Se[5]S[5])(Se[5]C[5])(S[5]C[5]){2|C<3>}	C[5](Se[5]C[5,5])2(C[5]Se[5]2){2|C<3>,2|S<2>}	91.5172	0.030	2	91.5172	0.001	2	91.5172	0.001	2	91.5172	0.001	2	87.9375	4.400	11	91.2851	10.883	374
997	818	818	5:SP3_SP2_SP2	Se[5]	C[5,5]	C[5]	3:3:	3:2:2:	3:2:1:	C[5,5]-3:C[5]-3:	N[5,5]-3:S[5]-2:Se[5]-2:	C[5]-3:Se[5]-2:H-1:	Se[5](C[5,5]N[5,5]S[5])(C[5]C[5]H)	C[5,5](N[5,5]C[5,6a]C[5])(S[5]C[5,6a])(Se[5]C[5])	C[5](C[5]N[5,5]C[6a])(Se[5]C[5,5])(H)	Se[5](C[5,5]N[5,5]S[5])(C[5]C[5]H){3|C<3>}	C[5,5](N[5,5]C[5,6a]C[5])(S[5]C[5,6a])(Se[5]C[5]){1|H<1>,3|C<3>}	C[5](C[5]N[5,5]C[6a])(Se[5]C[5,5])(H){1|S<2>,3|C<3>}	84.9328	0.000	1	84.9328	0.000	1	84.9328	0.000	1	84.9328	0.000	1	87.9375	4.400	11	91.2851	10.883	374
997	818	818	5:SP3_SP2_SP2	Se[5]	C[5,5]	C[5]	3:3:	3:2:2:	3:2:4:	C[5,5]-3:C[5]-3:	C[5,5]-3:Se[5]-2:Se[5]-2:	C[5]-3:Se[5]-2:Si-4:	Se[5](C[5,5]C[5,5]Se[5])(C[5]C[5]Si)	C[5,5](C[5,5]C[5,5]C[5])(Se[5]C[5,5])(Se[5]C[5])	C[5](C[5]C[5,5]H)(Se[5]C[5,5])(SiC3)	Se[5](C[5,5]C[5,5]Se[5])(C[5]C[5]Si){1|H<1>,2|C<3>}	C[5,5](C[5,5]C[5,5]C[5])(Se[5]C[5,5])(Se[5]C[5]){1|Se<2>,1|Si<4>,1|C<3>,1|H<1>}	C[5](C[5]C[5,5]H)(Se[5]C[5,5])(SiC3){1|Se<2>,1|C<3>}	87.7200	0.313	6	87.7200	0.098	6	87.7200	0.098	6	87.7200	0.098	6	87.9375	4.400	11	91.2851	10.883	374
997	818	818	5:SP3_SP2_SP2	Se[5]	C[5,5]	C[5]	3:3:	3:3:2:	3:2:1:	C[5,5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-3:Se[5]-2:	C[5]-3:Se[5]-2:Br-1:	Se[5](C[5,5]C[5,6a]C[5,5])(C[5]C[5]Br)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2)(Se[5]C[5])	C[5](C[5]C[5,5]H)(Se[5]C[5,5])(Br)	Se[5](C[5,5]C[5,6a]C[5,5])(C[5]C[5]Br){1|C<4>,1|H<1>,2|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2)(Se[5]C[5]){1|Br<1>,2|H<1>,4|C<3>}	C[5](C[5]C[5,5]H)(Se[5]C[5,5])(Br){1|C<3>,1|C<4>}	85.0116	0.000	1	85.0116	0.000	1	85.0116	0.000	1	85.0116	0.000	1	87.9375	4.400	11	91.2851	10.883	374
997	818	818	5:SP3_SP2_SP2	Se[5]	C[5,5]	C[5]	3:3:	3:3:2:	3:2:4:	C[5,5]-3:C[5]-3:	C[5,5]-3:C[5]-3:Se[5]-2:	C[5]-3:Se[5]-2:Si-4:	Se[5](C[5,5]C[5,5]C[5])(C[5]C[5]Si)	C[5,5](C[5,5]Se[5]C[5])(C[5]C[5]H)(Se[5]C[5])	C[5](C[5]C[5,5]H)(Se[5]C[5,5])(SiC3)	Se[5](C[5,5]C[5,5]C[5])(C[5]C[5]Si){1|Se<2>,1|C<3>,2|H<1>}	C[5,5](C[5,5]Se[5]C[5])(C[5]C[5]H)(Se[5]C[5]){2|Si<4>,1|H<1>}	C[5](C[5]C[5,5]H)(Se[5]C[5,5])(SiC3){1|Se<2>,1|C<3>}	88.0134	0.000	1	88.0134	0.000	1	88.0134	0.000	1	88.0134	0.000	1	87.9375	4.400	11	91.2851	10.883	374
997	818	818	5:SP3_SP2_SP2	Se[5]	C[5,6]	C[5]	3:3:	3:2:2:	2:2:3:	C[5,6]-3:C[5]-3:	C[5,6]-3:Se[5]-2:O[6]-2:	Se[5]-2:Se[5]-2:C[5]-3:	Se[5](C[5,6]C[5,6]O[6])(C[5]Se[5]C[5])	C[5,6](C[5,6]Se[5]O[6])(Se[5]C[5])(O[6]C[6])	C[5](Se[5]C[5,6])2(C[5]Se[5]2)	Se[5](C[5,6]C[5,6]O[6])(C[5]Se[5]C[5]){2|Se<2>,1|C<4>,1|O<2>}	C[5,6](C[5,6]Se[5]O[6])(Se[5]C[5])(O[6]C[6]){1|C<3>,1|C<4>,2|H<1>}	C[5](Se[5]C[5,6])2(C[5]Se[5]2){2|C<3>,2|O<2>}	90.7536	0.397	6	90.7536	0.157	6	90.7536	0.157	6	92.8618	1.220	46	92.4190	3.911	60	91.2851	10.883	374
997	818	818	5:SP3_SP2_SP2	Se[5]	C[5,6]	C[5]	3:3:	3:2:2:	2:2:3:	C[5,6]-3:C[5]-3:	C[5,6]-3:Se[5]-2:S[6]-2:	Se[5]-2:Se[5]-2:C[5]-3:	Se[5](C[5,6]C[5,6]S[6])(C[5]Se[5]C[5])	C[5,6](C[5,6]Se[5]S[6])(Se[5]C[5])(S[6]C[6])	C[5](Se[5]C[5,6])2(C[5]S[5]2)	Se[5](C[5,6]C[5,6]S[6])(C[5]Se[5]C[5]){1|C<4>,3|S<2>}	C[5,6](C[5,6]Se[5]S[6])(Se[5]C[5])(S[6]C[6]){1|C<3>,1|C<4>,2|H<1>}	C[5](Se[5]C[5,6])2(C[5]S[5]2){2|C<3>,2|S<2>}	92.9573	0.454	10	92.9573	0.206	10	93.2744	0.570	36	92.8618	1.220	46	92.4190	3.911	60	91.2851	10.883	374
997	818	818	5:SP3_SP2_SP2	Se[5]	C[5,6]	C[5]	3:3:	3:2:2:	2:2:3:	C[5,6]-3:C[5]-3:	C[5,6]-3:Se[5]-2:S[6]-2:	Se[5]-2:Se[5]-2:C[5]-3:	Se[5](C[5,6]C[5,6]S[6])(C[5]Se[5]C[5])	C[5,6](C[5,6]Se[5]S[6])(Se[5]C[5])(S[6]C[6])	C[5](Se[5]C[5,6])2(C[5]Se[5]2)	Se[5](C[5,6]C[5,6]S[6])(C[5]Se[5]C[5]){2|Se<2>,1|C<4>,1|S<2>}	C[5,6](C[5,6]Se[5]S[6])(Se[5]C[5])(S[6]C[6]){1|C<3>,1|C<4>,2|H<1>}	C[5](Se[5]C[5,6])2(C[5]Se[5]2){1|C<2>,1|C<3>,2|S<2>}	93.9441	0.118	2	93.3964	0.667	26	93.2744	0.570	36	92.8618	1.220	46	92.4190	3.911	60	91.2851	10.883	374
997	818	818	5:SP3_SP2_SP2	Se[5]	C[5,6]	C[5]	3:3:	3:2:2:	2:2:3:	C[5,6]-3:C[5]-3:	C[5,6]-3:Se[5]-2:S[6]-2:	Se[5]-2:Se[5]-2:C[5]-3:	Se[5](C[5,6]C[5,6]S[6])(C[5]Se[5]C[5])	C[5,6](C[5,6]Se[5]S[6])(Se[5]C[5])(S[6]C[6])	C[5](Se[5]C[5,6])2(C[5]Se[5]2)	Se[5](C[5,6]C[5,6]S[6])(C[5]Se[5]C[5]){2|Se<2>,1|C<4>,1|S<2>}	C[5,6](C[5,6]Se[5]S[6])(Se[5]C[5])(S[6]C[6]){1|C<3>,1|C<4>,2|H<1>}	C[5](Se[5]C[5,6])2(C[5]Se[5]2){2|C<3>,2|S<2>}	93.3507	0.835	24	93.3964	0.667	26	93.2744	0.570	36	92.8618	1.220	46	92.4190	3.911	60	91.2851	10.883	374
997	818	818	5:SP3_SP2_SP2	Se[5]	C[5,6]	C[5]	3:3:	3:2:2:	2:2:3:	C[5,6]-3:C[5]-3:	C[5,6]-3:Se[5]-2:Se[6]-2:	Se[5]-2:Se[5]-2:C[5]-3:	Se[5](C[5,6]C[5,6]Se[6])(C[5]Se[5]C[5])	C[5,6](C[5,6]Se[5]Se[6])(Se[5]C[5])(Se[6]C[6])	C[5](Se[5]C[5,6])2(C[5]Se[5]2)	Se[5](C[5,6]C[5,6]Se[6])(C[5]Se[5]C[5]){3|Se<2>,1|C<4>}	C[5,6](C[5,6]Se[5]Se[6])(Se[5]C[5])(Se[6]C[6]){1|C<3>,1|C<4>,2|H<1>}	C[5](Se[5]C[5,6])2(C[5]Se[5]2){2|Se<2>,2|C<3>}	92.3103	0.243	4	92.3103	0.059	4	92.3103	0.059	4	92.8618	1.220	46	92.4190	3.911	60	91.2851	10.883	374
997	818	818	5:SP3_SP2_SP2	Se[5]	C[5,6]	C[5]	3:3:	3:2:2:	3:2:2:	C[5,6]-3:C[5]-3:	C[5,6]-3:Se[5]-2:S[6]-2:	C[5a]-3:Se[5]-2:Se[5]-2:	Se[5](C[5,6]C[5,6]S[6])(C[5]C[5a]Se[5])	C[5,6](C[5,6]Se[5]S[6])(Se[5]C[5])(S[6]C[6])	C[5](C[5a]S[5a]2)(Se[5]C[5,6])2	Se[5](C[5,6]C[5,6]S[6])(C[5]C[5a]Se[5]){1|C<4>,3|S<2>}	C[5,6](C[5,6]Se[5]S[6])(Se[5]C[5])(S[6]C[6]){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5a]S[5a]2)(Se[5]C[5,6])2{2|C<3>,2|S<2>}	93.5710	0.436	8	93.5710	0.190	8	93.5710	0.190	8	93.5710	0.190	8	92.4190	3.911	60	91.2851	10.883	374
997	818	818	5:SP3_SP2_SP2	Se[5]	C[5,6]	C[5]	3:3:	3:3:2:	3:2:3:	C[5,6]-3:C[5]-3:	C[5,6]-3:N[6]-3:Se[5]-2:	C[5]-3:Se[5]-2:C-3:	Se[5](C[5,6]C[5,6]N[6])(C[5]C[5]C)	C[5,6](C[5,6]C[5]N[6])(N[6]C[6a]C[6])(Se[5]C[5])	C[5](C[5]C[5,6]C)(Se[5]C[5,6])(COO)	Se[5](C[5,6]C[5,6]N[6])(C[5]C[5]C){1|N<3>,3|C<3>}	C[5,6](C[5,6]C[5]N[6])(N[6]C[6a]C[6])(Se[5]C[5]){1|C<4>,1|S<2>,5|C<3>}	C[5](C[5]C[5,6]C)(Se[5]C[5,6])(COO){2|N<3>}	85.8306	0.000	1	85.8306	0.000	1	85.8306	0.000	1	85.8306	0.000	1	92.4190	3.911	60	91.2851	10.883	374
997	818	818	5:SP3_SP2_SP2	Se[5]	C[5,6]	C[5]	3:3:	3:4:2:	3:2:3:	C[5,6]-3:C[5]-3:	C[5,6]-3:C[6]-4:Se[5]-2:	C[5]-3:Se[5]-2:N-3:	Se[5](C[5,6]C[5,6]C[6])(C[5]C[5]N)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(Se[5]C[5])	C[5](C[5]C[5,6]C)(Se[5]C[5,6])(NCH)	Se[5](C[5,6]C[5,6]C[6])(C[5]C[5]N){1|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(Se[5]C[5]){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5](C[5]C[5,6]C)(Se[5]C[5,6])(NCH){2|C<4>}	85.7796	0.000	1	85.7796	0.000	1	85.7796	0.000	1	85.7796	0.000	1	92.4190	3.911	60	91.2851	10.883	374
997	818	818	5:SP3_SP2_SP2	Se[5]	C[5,6]	C[5]	3:3:	3:4:2:	3:3:2:	C[5,6]-3:C[5]-3:	C[5,6]-3:C[6]-4:Se[5]-2:	C[5]-3:C[6a]-3:Se[5]-2:	Se[5](C[5,6]C[5,6]C[6])(C[5]C[6a]C[5])	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(Se[5]C[5])	C[5](C[5]C[5,6]Br)(C[6a]C[6a]2)(Se[5]C[5,6])	Se[5](C[5,6]C[5,6]C[6])(C[5]C[6a]C[5]){1|Br<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(Se[5]C[5]){1|Br<1>,1|C<3>,1|C<4>,4|H<1>}	C[5](C[5]C[5,6]Br)(C[6a]C[6a]2)(Se[5]C[5,6]){2|C<3>,2|C<4>,2|H<1>}	88.3906	0.259	2	88.3906	0.067	2	88.3293	0.156	4	88.3293	0.156	4	92.4190	3.911	60	91.2851	10.883	374
997	818	818	5:SP3_SP2_SP2	Se[5]	C[5,6]	C[5]	3:3:	3:4:2:	3:3:2:	C[5,6]-3:C[5]-3:	C[5,6]-3:C[6]-4:Se[5]-2:	C[5]-3:C[6a]-3:Se[5]-2:	Se[5](C[5,6]C[5,6]C[6])(C[5]C[6a]C[5])	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(Se[5]C[5])	C[5](C[5]C[5,6]C)(C[6a]C[6a]2)(Se[5]C[5,6])	Se[5](C[5,6]C[5,6]C[6])(C[5]C[6a]C[5]){1|C<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(Se[5]C[5]){1|C<2>,1|C<3>,1|C<4>,4|H<1>}	C[5](C[5]C[5,6]C)(C[6a]C[6a]2)(Se[5]C[5,6]){2|C<3>,2|C<4>,2|H<1>}	88.7069	0.000	1	88.7069	0.000	1	88.3293	0.156	4	88.3293	0.156	4	92.4190	3.911	60	91.2851	10.883	374
997	818	818	5:SP3_SP2_SP2	Se[5]	C[5,6]	C[5]	3:3:	3:4:2:	3:3:2:	C[5,6]-3:C[5]-3:	C[5,6]-3:C[6]-4:Se[5]-2:	C[5]-3:C[6a]-3:Se[5]-2:	Se[5](C[5,6]C[5,6]C[6])(C[5]C[6a]C[5])	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(Se[5]C[5])	C[5](C[5]C[5,6]I)(C[6a]C[6a]2)(Se[5]C[5,6])	Se[5](C[5,6]C[5,6]C[6])(C[5]C[6a]C[5]){1|I<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(Se[5]C[5]){1|C<3>,1|C<4>,1|I<1>,4|H<1>}	C[5](C[5]C[5,6]I)(C[6a]C[6a]2)(Se[5]C[5,6]){2|C<3>,2|C<4>,2|H<1>}	87.8291	0.000	1	87.8291	0.000	1	88.3293	0.156	4	88.3293	0.156	4	92.4190	3.911	60	91.2851	10.883	374
997	818	818	5:SP3_SP2_SP2	Se[5]	C[5]	C[5,5]	3:3:	3:3:2:	3:2:2:	C[5,5]-3:C[5]-3:	C[5]-3:C[6a]-3:Se[5]-2:	C[5,5]-3:Se[5]-2:Se[5]-2:	Se[5](C[5,5]C[5,5]Se[5])(C[5]C[6a]C[5])	C[5](C[5]C[5,5]C[5a])(C[6a]C[6a]2)(Se[5]C[5,5])	C[5,5](C[5,5]C[5,6a]C[5])(Se[5]C[5,6a])(Se[5]C[5])	Se[5](C[5,5]C[5,5]Se[5])(C[5]C[6a]C[5]){5|C<3>}	C[5](C[5]C[5,5]C[5a])(C[6a]C[6a]2)(Se[5]C[5,5]){1|Se<2>,2|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5])(Se[5]C[5,6a])(Se[5]C[5]){4|C<3>}	85.9666	0.000	1	85.9666	0.000	1	86.0840	0.028	2	86.0840	0.028	2	86.0840	0.028	2	91.2851	10.883	374
997	818	818	5:SP3_SP2_SP2	Se[5]	C[5]	C[5,5]	3:3:	3:3:2:	3:2:2:	C[5,5]-3:C[5]-3:	C[5]-3:C[6a]-3:Se[5]-2:	C[5,5]-3:Se[5]-2:Se[5]-2:	Se[5](C[5,5]C[5,5]Se[5])(C[5]C[6a]C[5])	C[5](C[5]C[5,5]C[6a])(C[6a]C[6a]2)(Se[5]C[5,5])	C[5,5](C[5,5]C[5,6a]C[5])(Se[5]C[5,6a])(Se[5]C[5])	Se[5](C[5,5]C[5,5]Se[5])(C[5]C[6a]C[5]){5|C<3>}	C[5](C[5]C[5,5]C[6a])(C[6a]C[6a]2)(Se[5]C[5,5]){1|Se<2>,2|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5])(Se[5]C[5,6a])(Se[5]C[5]){4|C<3>}	86.2014	0.000	1	86.2014	0.000	1	86.0840	0.028	2	86.0840	0.028	2	86.0840	0.028	2	91.2851	10.883	374
997	818	818	5:SP3_SP2_SP2	Se[5]	C[5]	C[5]	3:3:	3:2:1:	2:2:2:	C[5]-3:C[5]-3:	C[5]-3:Se[5]-2:H-1:	Se[5]-2:Se[5]-2:N-2:	Se[5](C[5]Se[5]N)(C[5]C[5]H)	C[5](C[5]C[6a]Se[5])(Se[5]C[5])(H)	C[5](Se[5]C[5])2(NC)	Se[5](C[5]Se[5]N)(C[5]C[5]H){1|C<3>}	C[5](C[5]C[6a]Se[5])(Se[5]C[5])(H){1|N<2>,2|C<3>}	C[5](Se[5]C[5])2(NC){1|C<3>,1|H<1>}	94.2977	0.000	1	94.2977	0.000	1	94.2977	0.000	1	93.1287	2.733	2	91.3226	11.260	296	91.2851	10.883	374
997	818	818	5:SP3_SP2_SP2	Se[5]	C[5]	C[5]	3:3:	3:2:1:	2:2:2:	C[5]-3:C[5]-3:	C[5]-3:Se[5]-2:H-1:	Se[5]-2:Se[5]-2:S-2:	Se[5](C[5]Se[5]S)(C[5]C[5]H)	C[5](C[5]Se[5]C)(Se[5]C[5])(H)	C[5](Se[5]C[5])2(SC)	Se[5](C[5]Se[5]S)(C[5]C[5]H){1|C<3>}	C[5](C[5]Se[5]C)(Se[5]C[5])(H){1|S<2>}	C[5](Se[5]C[5])2(SC){1|C<3>,1|H<1>}	91.9598	0.000	1	91.9598	0.000	1	91.9598	0.000	1	93.1287	2.733	2	91.3226	11.260	296	91.2851	10.883	374
997	818	818	5:SP3_SP2_SP2	Se[5]	C[5]	C[5]	3:3:	3:2:1:	3:2:1:	C[5]-3:C[5]-3:	C[5]-3:Se[5]-2:H-1:	C[5]-3:Se[5]-2:H-1:	Se[5](C[5]C[5]H)2	C[5](C[5]C[5]O)(Se[5]C[5])(H)	C[5](C[5]C[5]O)(Se[5]C[5])(H)	Se[5](C[5]C[5]H)2{2|O<2>}	C[5](C[5]C[5]O)(Se[5]C[5])(H){1|H<1>,1|O<2>}	C[5](C[5]C[5]O)(Se[5]C[5])(H){1|H<1>,1|O<2>}	87.9340	0.000	1	87.9340	0.000	1	87.9340	0.000	1	87.9340	0.000	1	91.3226	11.260	296	91.2851	10.883	374
997	818	818	5:SP3_SP2_SP2	Se[5]	C[5]	C[5]	3:3:	3:2:1:	3:2:2:	C[5]-3:C[5]-3:	C[5]-3:Se[5]-2:H-1:	N[5]-3:Se[5]-2:N-2:	Se[5](C[5]C[5]H)(C[5]N[5]N)	C[5](C[5]C[6a]N[5])(Se[5]C[5])(H)	C[5](N[5]C[5]C)(Se[5]C[5])(NC[6a])	Se[5](C[5]C[5]H)(C[5]N[5]N){1|C<3>,1|C<4>}	C[5](C[5]C[6a]N[5])(Se[5]C[5])(H){1|C<4>,1|N<2>,2|C<3>}	C[5](N[5]C[5]C)(Se[5]C[5])(NC[6a]){1|C<3>,1|H<1>}	85.8344	0.132	2	85.8344	0.018	2	85.8344	0.018	2	85.8344	0.018	2	91.3226	11.260	296	91.2851	10.883	374
997	818	818	5:SP3_SP2_SP2	Se[5]	C[5]	C[5]	3:3:	3:2:1:	3:2:3:	C[5]-3:C[5]-3:	C[5]-3:Se[5]-2:H-1:	N[5]-3:Se[5]-2:N-3:	Se[5](C[5]C[5]H)(C[5]N[5]N)	C[5](C[5]C[6a]N[5])(Se[5]C[5])(H)	C[5](N[5]C[5]H)(Se[5]C[5])(NHH)	Se[5](C[5]C[5]H)(C[5]N[5]N){1|C<3>,1|H<1>}	C[5](C[5]C[6a]N[5])(Se[5]C[5])(H){1|H<1>,1|N<3>,2|C<3>}	C[5](N[5]C[5]H)(Se[5]C[5])(NHH){1|C<3>,1|H<1>}	85.3460	0.000	1	85.3460	0.000	1	85.3460	0.000	1	85.3460	0.000	1	91.3226	11.260	296	91.2851	10.883	374
997	818	818	5:SP3_SP2_SP2	Se[5]	C[5]	C[5]	3:3:	3:2:2:	2:2:1:	C[5]-3:C[5]-3:	C[5]-3:Se[5]-2:Se[5]-2:	C[5]-2:Se[5]-2:H-1:	Se[5](C[5]Se[5]C[5])(C[5]C[5]H)	C[5](C[5]Se[5]2)(Se[5]C[5])2	C[5](C[5]Se[5])(Se[5]C[5])(H)	Se[5](C[5]Se[5]C[5])(C[5]C[5]H){2|Se<2>}	C[5](C[5]Se[5]2)(Se[5]C[5])2{1|H<1>,2|C<3>}	C[5](C[5]Se[5])(Se[5]C[5])(H){1|C<3>}	93.1399	0.000	1	93.1399	0.000	1	93.1399	0.000	1	93.1399	0.000	1	91.3226	11.260	296	91.2851	10.883	374
997	818	818	5:SP3_SP2_SP2	Se[5]	C[5]	C[5]	3:3:	3:2:2:	3:2:1:	C[5]-3:C[5]-3:	C[5]-3:Se[5]-2:Se[5]-2:	C[5]-3:Se[5]-2:Br-1:	Se[5](C[5]Se[5]C[5])(C[5]C[5]Br)	C[5](C[5]Se[5]2)(Se[5]C[5])2	C[5](C[5]Se[5]Br)(Se[5]C[5])(Br)	Se[5](C[5]Se[5]C[5])(C[5]C[5]Br){1|Br<1>,2|Se<2>}	C[5](C[5]Se[5]2)(Se[5]C[5])2{2|Br<1>,2|C<3>}	C[5](C[5]Se[5]Br)(Se[5]C[5])(Br){1|C<3>}	93.1825	0.622	4	93.1825	0.387	4	93.1825	0.387	4	91.6390	9.373	114	91.3226	11.260	296	91.2851	10.883	374
997	818	818	5:SP3_SP2_SP2	Se[5]	C[5]	C[5]	3:3:	3:2:2:	3:2:1:	C[5]-3:C[5]-3:	C[5]-3:Se[5]-2:Se[5]-2:	C[5]-3:Se[5]-2:H-1:	Se[5](C[5]Se[5]C[5])(C[5]C[5]H)	C[5](C[5]C[5]S[5])(Se[5]C[5])2	C[5](C[5]Se[5]H)(Se[5]C[5])(H)	Se[5](C[5]Se[5]C[5])(C[5]C[5]H){1|C<3>,1|H<1>,1|S<2>}	C[5](C[5]C[5]S[5])(Se[5]C[5])2{1|C<3>,1|S<1>,1|S<2>,2|H<1>}	C[5](C[5]Se[5]H)(Se[5]C[5])(H){1|C<3>}	92.3977	1.397	14	92.3977	1.952	14	92.7072	1.379	64	91.6390	9.373	114	91.3226	11.260	296	91.2851	10.883	374
997	818	818	5:SP3_SP2_SP2	Se[5]	C[5]	C[5]	3:3:	3:2:2:	3:2:1:	C[5]-3:C[5]-3:	C[5]-3:Se[5]-2:Se[5]-2:	C[5]-3:Se[5]-2:H-1:	Se[5](C[5]Se[5]C[5])(C[5]C[5]H)	C[5](C[5]S[5]2)(Se[5]C[5])2	C[5](C[5]Se[5]H)(Se[5]C[5])(H)	Se[5](C[5]Se[5]C[5])(C[5]C[5]H){1|H<1>,2|S<2>}	C[5](C[5]S[5]2)(Se[5]C[5])2{2|C<3>,2|H<1>}	C[5](C[5]Se[5]H)(Se[5]C[5])(H){1|C<3>}	94.1767	0.480	2	94.1767	0.231	2	92.7072	1.379	64	91.6390	9.373	114	91.3226	11.260	296	91.2851	10.883	374
997	818	818	5:SP3_SP2_SP2	Se[5]	C[5]	C[5]	3:3:	3:2:2:	3:2:1:	C[5]-3:C[5]-3:	C[5]-3:Se[5]-2:Se[5]-2:	C[5]-3:Se[5]-2:H-1:	Se[5](C[5]Se[5]C[5])(C[5]C[5]H)	C[5](C[5]Se[5]2)(Se[5]C[5])2	C[5](C[5]Se[5]H)(Se[5]C[5])(H)	Se[5](C[5]Se[5]C[5])(C[5]C[5]H){2|Se<2>,1|H<1>}	C[5](C[5]Se[5]2)(Se[5]C[5])2{2|C<3>,2|H<1>}	C[5](C[5]Se[5]H)(Se[5]C[5])(H){1|C<3>}	92.7362	1.087	48	92.7362	1.183	48	92.7072	1.379	64	91.6390	9.373	114	91.3226	11.260	296	91.2851	10.883	374
997	818	818	5:SP3_SP2_SP2	Se[5]	C[5]	C[5]	3:3:	3:2:2:	3:2:1:	C[5]-3:C[5]-3:	C[5]-3:Se[5]-2:Se[5]-2:	C[5]-3:Se[5]-2:I-1:	Se[5](C[5]Se[5]C[5])(C[5]C[5]I)	C[5](C[5]S[5]2)(Se[5]C[5])2	C[5](C[5]Se[5]I)(Se[5]C[5])(I)	Se[5](C[5]Se[5]C[5])(C[5]C[5]I){1|I<1>,2|S<2>}	C[5](C[5]S[5]2)(Se[5]C[5])2{2|C<3>,2|I<1>}	C[5](C[5]Se[5]I)(Se[5]C[5])(I){1|C<3>}	93.7956	0.469	10	93.7956	0.220	10	93.3867	0.687	16	91.6390	9.373	114	91.3226	11.260	296	91.2851	10.883	374
997	818	818	5:SP3_SP2_SP2	Se[5]	C[5]	C[5]	3:3:	3:2:2:	3:2:1:	C[5]-3:C[5]-3:	C[5]-3:Se[5]-2:Se[5]-2:	C[5]-3:Se[5]-2:I-1:	Se[5](C[5]Se[5]C[5])(C[5]C[5]I)	C[5](C[5]Se[5]2)(Se[5]C[5])2	C[5](C[5]Se[5]I)(Se[5]C[5])(I)	Se[5](C[5]Se[5]C[5])(C[5]C[5]I){2|Se<2>,1|I<1>}	C[5](C[5]Se[5]2)(Se[5]C[5])2{2|C<3>,2|I<1>}	C[5](C[5]Se[5]I)(Se[5]C[5])(I){1|C<3>}	92.7052	0.880	6	92.7052	0.774	6	93.3867	0.687	16	91.6390	9.373	114	91.3226	11.260	296	91.2851	10.883	374
997	818	818	5:SP3_SP2_SP2	Se[5]	C[5]	C[5]	3:3:	3:2:2:	3:2:1:	C[5]-3:C[5]-3:	C[5a]-3:Se[5]-2:Se[5]-2:	C[5]-3:Se[5]-2:H-1:	Se[5](C[5]C[5a]Se[5])(C[5]C[5]H)	C[5](C[5a]C[5a]S[5a])(Se[5]C[5])2	C[5](C[5]Se[5]H)(Se[5]C[5])(H)	Se[5](C[5]C[5a]Se[5])(C[5]C[5]H){1|C<3>,1|H<1>,1|S<2>}	C[5](C[5a]C[5a]S[5a])(Se[5]C[5])2{1|C<3>,1|O<1>,1|S<2>,2|H<1>}	C[5](C[5]Se[5]H)(Se[5]C[5])(H){1|C<3>}	93.0103	0.886	12	93.0103	0.784	12	93.0103	0.784	12	91.6390	9.373	114	91.3226	11.260	296	91.2851	10.883	374
997	818	818	5:SP3_SP2_SP2	Se[5]	C[5]	C[5]	3:3:	3:2:2:	3:2:1:	C[5]-3:C[5]-3:	C[6a]-3:Se[5]-2:N[5]-2:	C[5]-3:Se[5]-2:Cl-1:	Se[5](C[5]C[6a]N[5])(C[5]C[5]Cl)	C[5](C[6a]C[6a]2)(Se[5]C[5])(N[5]C[5])	C[5](C[5]N[5]C)(Se[5]C[5])(Cl)	Se[5](C[5]C[6a]N[5])(C[5]C[5]Cl){1|C<4>,2|C<3>}	C[5](C[6a]C[6a]2)(Se[5]C[5])(N[5]C[5]){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5]C)(Se[5]C[5])(Cl){1|C<3>}	83.5037	0.379	2	83.5037	0.143	2	83.5037	0.143	2	91.6390	9.373	114	91.3226	11.260	296	91.2851	10.883	374
997	818	818	5:SP3_SP2_SP2	Se[5]	C[5]	C[5]	3:3:	3:2:2:	3:2:1:	C[5]-3:C[5]-3:	C[6a]-3:Se[5]-2:N[5]-2:	C[5]-3:Se[5]-2:H-1:	Se[5](C[5]C[6a]N[5])(C[5]C[5]H)	C[5](C[6a]C[6a]2)(Se[5]C[5])(N[5]C[5])	C[5](C[5]C[6a]N[5])(Se[5]C[5])(H)	Se[5](C[5]C[6a]N[5])(C[5]C[5]H){3|C<3>}	C[5](C[6a]C[6a]2)(Se[5]C[5])(N[5]C[5]){3|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(Se[5]C[5])(H){3|C<3>}	84.7756	0.605	7	84.7756	0.366	7	84.8406	0.288	10	91.6390	9.373	114	91.3226	11.260	296	91.2851	10.883	374
997	818	818	5:SP3_SP2_SP2	Se[5]	C[5]	C[5]	3:3:	3:2:2:	3:2:1:	C[5]-3:C[5]-3:	C[6a]-3:Se[5]-2:N[5]-2:	C[5]-3:Se[5]-2:H-1:	Se[5](C[5]C[6a]N[5])(C[5]C[5]H)	C[5](C[6a]C[6a]2)(Se[5]C[5])(N[5]C[5])	C[5](C[5]N[5]C)(Se[5]C[5])(H)	Se[5](C[5]C[6a]N[5])(C[5]C[5]H){1|C<4>,2|C<3>}	C[5](C[6a]C[6a]2)(Se[5]C[5])(N[5]C[5]){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]N[5]C)(Se[5]C[5])(H){1|C<3>}	84.7749	0.000	1	84.9924	0.147	3	84.8406	0.288	10	91.6390	9.373	114	91.3226	11.260	296	91.2851	10.883	374
997	818	818	5:SP3_SP2_SP2	Se[5]	C[5]	C[5]	3:3:	3:2:2:	3:2:1:	C[5]-3:C[5]-3:	C[6a]-3:Se[5]-2:N[5]-2:	C[5]-3:Se[5]-2:H-1:	Se[5](C[5]C[6a]N[5])(C[5]C[5]H)	C[5](C[6a]C[6a]2)(Se[5]C[5])(N[5]C[5])	C[5](C[5]N[5]C)(Se[5]C[5])(H)	Se[5](C[5]C[6a]N[5])(C[5]C[5]H){3|C<3>}	C[5](C[6a]C[6a]2)(Se[5]C[5])(N[5]C[5]){3|C<3>,3|H<1>}	C[5](C[5]N[5]C)(Se[5]C[5])(H){1|C<3>}	85.1011	0.472	2	84.9924	0.147	3	84.8406	0.288	10	91.6390	9.373	114	91.3226	11.260	296	91.2851	10.883	374
997	818	818	5:SP3_SP2_SP2	Se[5]	C[5]	C[5]	3:3:	3:2:2:	3:2:1:	C[5]-3:C[5]-3:	N[5]-3:Se[5]-2:N-2:	C[5]-3:Se[5]-2:H-1:	Se[5](C[5]C[5]H)(C[5]N[5]N)	C[5](N[5]C[6a]C[5])(Se[5]C[5])(NC)	C[5](C[5]C[6a]N[5])(Se[5]C[5])(H)	Se[5](C[5]C[5]H)(C[5]N[5]N){2|C<3>}	C[5](N[5]C[6a]C[5])(Se[5]C[5])(NC){1|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(Se[5]C[5])(H){1|N<2>,3|C<3>}	85.8558	0.198	6	85.8558	0.039	6	85.8558	0.039	6	91.6390	9.373	114	91.3226	11.260	296	91.2851	10.883	374
997	818	818	5:SP3_SP2_SP2	Se[5]	C[5]	C[5]	3:3:	3:2:2:	3:2:2:	C[5]-3:C[5]-3:	C[5]-3:Se[5]-2:Se[5]-2:	C[5]-3:Se[5]-2:S-2:	Se[5](C[5]Se[5]C[5])(C[5]C[5]S)	C[5](C[5]Se[5]2)(Se[5]C[5])2	C[5](C[5]Se[5]S)(Se[5]C[5])(SC)	Se[5](C[5]Se[5]C[5])(C[5]C[5]S){2|Se<2>,1|S<2>}	C[5](C[5]Se[5]2)(Se[5]C[5])2{2|C<3>,2|S<2>}	C[5](C[5]Se[5]S)(Se[5]C[5])(SC){1|C<3>}	93.0399	0.607	4	93.0399	0.368	4	93.0399	0.368	4	85.7288	29.531	12	91.3226	11.260	296	91.2851	10.883	374
997	818	818	5:SP3_SP2_SP2	Se[5]	C[5]	C[5]	3:3:	3:2:2:	3:2:2:	C[5]-3:C[5]-3:	C[5a]-3:Se[5]-2:N[5]-2:	C[5a]-3:Se[5]-2:N[5]-2:	Se[5](C[5]C[5a]N[5])2	C[5](C[5a]C[5a]S[5a])(Se[5]C[5])(N[5]N[5])	C[5](C[5a]C[5a]S[5a])(Se[5]C[5])(N[5]N[5])	Se[5](C[5]C[5a]N[5])2{2|C<3>,2|S<2>}	C[5](C[5a]C[5a]S[5a])(Se[5]C[5])(N[5]N[5]){1|H<1>,3|C<3>}	C[5](C[5a]C[5a]S[5a])(Se[5]C[5])(N[5]N[5]){1|H<1>,3|C<3>}	81.7568	0.000	1	81.7568	0.000	1	81.7568	0.000	1	85.7288	29.531	12	91.3226	11.260	296	91.2851	10.883	374
997	818	818	5:SP3_SP2_SP2	Se[5]	C[5]	C[5]	3:3:	3:2:2:	3:2:2:	C[5]-3:C[5]-3:	C[5a]-3:Se[5]-2:N[5]-2:	C[6a]-3:Se[5]-2:N[5]-2:	Se[5](C[5]C[5a]N[5])(C[5]C[6a]N[5])	C[5](C[5a]C[5a]O[5a])(Se[5]C[5])(N[5]N[5])	C[5](C[6a]C[6a]2)(Se[5]C[5])(N[5]N[5])	Se[5](C[5]C[5a]N[5])(C[5]C[6a]N[5]){1|O<2>,3|C<3>}	C[5](C[5a]C[5a]O[5a])(Se[5]C[5])(N[5]N[5]){1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(Se[5]C[5])(N[5]N[5]){2|H<1>,3|C<3>}	82.3457	0.018	2	82.3457	0.000	2	82.3457	0.000	2	85.7288	29.531	12	91.3226	11.260	296	91.2851	10.883	374
997	818	818	5:SP3_SP2_SP2	Se[5]	C[5]	C[5]	3:3:	3:2:2:	3:2:2:	C[5]-3:C[5]-3:	C[6a]-3:Se[5]-2:N[5]-2:	C[6a]-3:Se[5]-2:N[5]-2:	Se[5](C[5]C[6a]N[5])2	C[5](C[6a]C[6a]2)(Se[5]C[5])(N[5]N[5])	C[5](C[6a]C[6a]2)(Se[5]C[5])(N[5]N[5])	Se[5](C[5]C[6a]N[5])2{4|C<3>}	C[5](C[6a]C[6a]2)(Se[5]C[5])(N[5]N[5]){2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(Se[5]C[5])(N[5]N[5]){2|H<1>,3|C<3>}	82.1216	0.928	4	82.1216	0.862	4	82.0276	0.691	5	85.7288	29.531	12	91.3226	11.260	296	91.2851	10.883	374
997	818	818	5:SP3_SP2_SP2	Se[5]	C[5]	C[5]	3:3:	3:2:2:	3:2:2:	C[5]-3:C[5]-3:	C[6a]-3:Se[5]-2:N[5]-2:	C[6a]-3:Se[5]-2:N[5]-2:	Se[5](C[5]C[6a]N[5])2	C[5](C[6a]C[6a]N[6a])(Se[5]C[5])(N[5]N[5])	C[5](C[6a]C[6a]N[6a])(Se[5]C[5])(N[5]N[5])	Se[5](C[5]C[6a]N[5])2{2|C<3>,2|N<2>}	C[5](C[6a]C[6a]N[6a])(Se[5]C[5])(N[5]N[5]){1|H<1>,3|C<3>}	C[5](C[6a]C[6a]N[6a])(Se[5]C[5])(N[5]N[5]){1|H<1>,3|C<3>}	81.6517	0.000	1	81.6517	0.000	1	82.0276	0.691	5	85.7288	29.531	12	91.3226	11.260	296	91.2851	10.883	374
997	818	818	5:SP3_SP2_SP2	Se[5]	C[5]	C[5]	3:3:	3:2:2:	3:2:3:	C[5]-3:C[5]-3:	C[5]-3:Se[5]-2:N-2:	C[5]-3:Se[5]-2:C-3:	Se[5](C[5]C[5]C)(C[5]C[5]N)	C[5](C[5]C[5]N)(Se[5]C[5])(NC[6a])	C[5](C[5]C[5]C)(Se[5]C[5])(CCH)	Se[5](C[5]C[5]C)(C[5]C[5]N){1|C<3>,1|N<2>}	C[5](C[5]C[5]N)(Se[5]C[5])(NC[6a]){2|C<3>}	C[5](C[5]C[5]C)(Se[5]C[5])(CCH){2|N<2>}	88.4560	0.000	1	88.4560	0.000	1	88.4560	0.000	1	85.4611	6.744	3	91.3226	11.260	296	91.2851	10.883	374
997	818	818	5:SP3_SP2_SP2	Se[5]	C[5]	C[5]	3:3:	3:2:2:	3:2:3:	C[5]-3:C[5]-3:	C[5a]-3:Se[5]-2:N[5]-2:	C[5]-3:Se[5]-2:C-3:	Se[5](C[5]C[5a]N[5])(C[5]C[5]C)	C[5](C[5a]C[5a]O[5a])(Se[5]C[5])(N[5]C[5])	C[5](C[5]N[5]H)(Se[5]C[5])(COO)	Se[5](C[5]C[5a]N[5])(C[5]C[5]C){1|C<3>,1|H<1>,1|O<2>}	C[5](C[5a]C[5a]O[5a])(Se[5]C[5])(N[5]C[5]){2|H<1>,3|C<3>}	C[5](C[5]N[5]H)(Se[5]C[5])(COO){1|C<3>}	84.0932	0.000	1	84.0932	0.000	1	84.0932	0.000	1	85.4611	6.744	3	91.3226	11.260	296	91.2851	10.883	374
997	818	818	5:SP3_SP2_SP2	Se[5]	C[5]	C[5]	3:3:	3:2:2:	3:2:3:	C[5]-3:C[5]-3:	C[6a]-3:Se[5]-2:N[5]-2:	C[5]-3:Se[5]-2:N-3:	Se[5](C[5]C[6a]N[5])(C[5]C[5]N)	C[5](C[6a]C[6a]2)(Se[5]C[5])(N[5]C[5])	C[5](C[5]C[6a]N[5])(Se[5]C[5])(NC[6a]2)	Se[5](C[5]C[6a]N[5])(C[5]C[5]N){3|C<3>}	C[5](C[6a]C[6a]2)(Se[5]C[5])(N[5]C[5]){1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(Se[5]C[5])(NC[6a]2){3|C<3>}	83.8340	0.000	1	83.8340	0.000	1	83.8340	0.000	1	85.4611	6.744	3	91.3226	11.260	296	91.2851	10.883	374
997	818	818	5:SP3_SP2_SP2	Se[5]	C[5]	C[5]	3:3:	3:2:2:	3:2:4:	C[5]-3:C[5]-3:	C[5]-3:Se[5]-2:Se[5]-2:	C[5]-3:Se[5]-2:C-4:	Se[5](C[5]Se[5]C[5])(C[5]C[5]C)	C[5](C[5]S[5]2)(Se[5]C[5])2	C[5](C[5]Se[5]C)(Se[5]C[5])(CH3)	Se[5](C[5]Se[5]C[5])(C[5]C[5]C){1|C<4>,2|S<2>}	C[5](C[5]S[5]2)(Se[5]C[5])2{2|C<3>,2|C<4>}	C[5](C[5]Se[5]C)(Se[5]C[5])(CH3){1|C<3>}	93.4812	0.669	79	93.4812	0.448	79	93.5926	0.429	107	93.5926	0.429	107	91.3226	11.260	296	91.2851	10.883	374
997	818	818	5:SP3_SP2_SP2	Se[5]	C[5]	C[5]	3:3:	3:2:2:	3:2:4:	C[5]-3:C[5]-3:	C[5]-3:Se[5]-2:Se[5]-2:	C[5]-3:Se[5]-2:C-4:	Se[5](C[5]Se[5]C[5])(C[5]C[5]C)	C[5](C[5]Se[5]2)(Se[5]C[5])2	C[5](C[5]Se[5]C)(Se[5]C[5])(CH3)	Se[5](C[5]Se[5]C[5])(C[5]C[5]C){2|Se<2>,1|C<4>}	C[5](C[5]Se[5]2)(Se[5]C[5])2{2|C<3>,2|C<4>}	C[5](C[5]Se[5]C)(Se[5]C[5])(CH3){1|C<3>}	93.9068	0.500	28	93.9068	0.250	28	93.5926	0.429	107	93.5926	0.429	107	91.3226	11.260	296	91.2851	10.883	374
997	818	818	5:SP3_SP2_SP2	Se[5]	C[5]	C[5]	3:3:	3:2:3:	2:2:2:	C[5]-3:C[5]-3:	C[5]-3:Se[5]-2:C-3:	Se[5]-2:Se[5]-2:S-2:	Se[5](C[5]Se[5]S)(C[5]C[5]C)	C[5](C[5]Se[5]H)(Se[5]C[5])(COO)	C[5](Se[5]C[5])2(SC)	Se[5](C[5]Se[5]S)(C[5]C[5]C){1|H<1>}	C[5](C[5]Se[5]H)(Se[5]C[5])(COO){1|S<2>}	C[5](Se[5]C[5])2(SC){1|C<3>,1|H<1>}	92.8410	0.000	1	92.8410	0.000	1	92.8410	0.000	1	92.8410	0.000	1	91.3226	11.260	296	91.2851	10.883	374
997	818	818	5:SP3_SP2_SP2	Se[5]	C[5]	C[5]	3:3:	3:2:3:	3:2:3:	C[5]-3:C[5]-3:	C[5]-3:Se[5]-2:C-3:	C[5]-3:Se[5]-2:C-3:	Se[5](C[5]C[5]C)2	C[5](C[5]C[5]H)(Se[5]C[5])(CC[5]H)	C[5](C[5]C[5]H)(Se[5]C[5])(CC[5]H)	Se[5](C[5]C[5]C)2{2|H<1>}	C[5](C[5]C[5]H)(Se[5]C[5])(CC[5]H){1|C<3>,1|H<1>}	C[5](C[5]C[5]H)(Se[5]C[5])(CC[5]H){1|C<3>,1|H<1>}	87.7431	0.000	1	87.7431	0.000	1	87.9020	0.050	2	87.9020	0.050	2	91.3226	11.260	296	91.2851	10.883	374
997	818	818	5:SP3_SP2_SP2	Se[5]	C[5]	C[5]	3:3:	3:2:3:	3:2:3:	C[5]-3:C[5]-3:	C[5]-3:Se[5]-2:C-3:	C[5]-3:Se[5]-2:C-3:	Se[5](C[5]C[5]C)2	C[5](C[5]C[5]H)(Se[5]C[5])(CC[5a]H)	C[5](C[5]C[5]H)(Se[5]C[5])(CC[5]H)	Se[5](C[5]C[5]C)2{2|H<1>}	C[5](C[5]C[5]H)(Se[5]C[5])(CC[5a]H){1|C<3>,1|H<1>}	C[5](C[5]C[5]H)(Se[5]C[5])(CC[5]H){1|C<3>,1|H<1>}	88.0609	0.000	1	88.0609	0.000	1	87.9020	0.050	2	87.9020	0.050	2	91.3226	11.260	296	91.2851	10.883	374
997	818	818	5:SP3_SP2_SP2	Se[5]	C[5]	C[5]	3:3:	3:2:4:	3:2:2:	C[5]-3:C[5]-3:	C[5]-3:Se[5]-2:C-4:	N[5]-3:Se[5]-2:N-2:	Se[5](C[5]C[5]C)(C[5]N[5]N)	C[5](C[5]C[6a]N[5])(Se[5]C[5])(CH3)	C[5](N[5]C[5]C)(Se[5]C[5])(NC[6a])	Se[5](C[5]C[5]C)(C[5]N[5]N){1|C<3>,1|C<4>}	C[5](C[5]C[6a]N[5])(Se[5]C[5])(CH3){1|C<4>,1|N<2>,2|C<3>}	C[5](N[5]C[5]C)(Se[5]C[5])(NC[6a]){1|C<3>,1|C<4>}	86.9012	0.000	1	86.9012	0.000	1	86.9012	0.000	1	86.9012	0.000	1	91.3226	11.260	296	91.2851	10.883	374
997	818	818	5:SP3_SP2_SP2	Se[5]	C[5]	C[5]	3:3:	3:2:4:	3:2:4:	C[5]-3:C[5]-3:	C[5,6a]-3:Se[5]-2:C-4:	C[5,6a]-3:Se[5]-2:C-4:	Se[5](C[5]C[5,6a]C)2	C[5](C[5,6a]C[6a,6a]C[5,6a])(Se[5]C[5])(CCHH)	C[5](C[5,6a]C[6a,6a]C[5,6a])(Se[5]C[5])(CCHH)	Se[5](C[5]C[5,6a]C)2{2|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(Se[5]C[5])(CCHH){1|C<4>,3|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(Se[5]C[5])(CCHH){1|C<4>,3|C<3>}	88.9774	0.000	1	88.9774	0.000	1	88.7022	0.059	3	88.7022	0.059	3	91.3226	11.260	296	91.2851	10.883	374
997	818	818	5:SP3_SP2_SP2	Se[5]	C[5]	C[5]	3:3:	3:2:4:	3:2:4:	C[5]-3:C[5]-3:	C[5,6a]-3:Se[5]-2:C-4:	C[5,6a]-3:Se[5]-2:C-4:	Se[5](C[5]C[5,6a]C)2	C[5](C[5,6a]C[6a,6a]C[5,6a])(Se[5]C[5])(CCHH)	C[5](C[5,6a]C[6a,6a]C[5,6a])(Se[5]C[5])(CH3)	Se[5](C[5]C[5,6a]C)2{2|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(Se[5]C[5])(CCHH){1|C<4>,3|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(Se[5]C[5])(CH3){1|C<4>,3|C<3>}	88.5647	0.060	2	88.5647	0.004	2	88.7022	0.059	3	88.7022	0.059	3	91.3226	11.260	296	91.2851	10.883	374
997	818	818	5:SP3_SP2_SP2	Se[5]	C[5]	C[5]	3:3:	3:3:2:	2:2:2:	C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:Se[5]-2:	Se[5]-2:Se[5]-2:N-2:	Se[5](C[5]C[6a]C[5])(C[5]Se[5]N)	C[5](C[6a]C[6a]2)(C[5]Se[5]H)(Se[5]C[5])	C[5](Se[5]C[5])2(NC)	Se[5](C[5]C[6a]C[5])(C[5]Se[5]N){1|H<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]Se[5]H)(Se[5]C[5]){1|N<2>,2|C<3>,2|H<1>}	C[5](Se[5]C[5])2(NC){1|C<3>,1|H<1>}	93.8849	0.000	1	93.8849	0.000	1	93.8849	0.000	1	93.8849	0.000	1	91.3226	11.260	296	91.2851	10.883	374
997	818	818	5:SP3_SP2_SP2	Se[5]	C[5]	C[5]	3:3:	3:3:2:	3:2:1:	C[5]-3:C[5]-3:	C[5]-3:C[5]-3:Se[5]-2:	C[5]-3:Se[5]-2:H-1:	Se[5](C[5]C[5]2)(C[5]C[5]H)	C[5](C[5]C[5,5]Se[5])(C[5]C[5]H)(Se[5]C[5])	C[5](C[5]C[5]H)(Se[5]C[5])(H)	Se[5](C[5]C[5]2)(C[5]C[5]H){1|Se<2>,1|C<3>,2|H<1>}	C[5](C[5]C[5,5]Se[5])(C[5]C[5]H)(Se[5]C[5]){2|Se<2>,1|C<3>,2|H<1>}	C[5](C[5]C[5]H)(Se[5]C[5])(H){1|C<3>,1|H<1>}	86.9433	0.000	1	86.9433	0.000	1	86.9433	0.000	1	87.0706	0.552	13	91.3226	11.260	296	91.2851	10.883	374
997	818	818	5:SP3_SP2_SP2	Se[5]	C[5]	C[5]	3:3:	3:3:2:	3:2:1:	C[5]-3:C[5]-3:	C[5a]-3:C[5]-3:Se[5]-2:	C[5]-3:Se[5]-2:H-1:	Se[5](C[5]C[5a]C[5])(C[5]C[5]H)	C[5](C[5a]C[5a]S[5a])(C[5]C[5]H)(Se[5]C[5])	C[5](C[5]C[5]H)(Se[5]C[5])(H)	Se[5](C[5]C[5a]C[5])(C[5]C[5]H){1|C<3>,1|S<2>,2|H<1>}	C[5](C[5a]C[5a]S[5a])(C[5]C[5]H)(Se[5]C[5]){1|S<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5]H)(Se[5]C[5])(H){1|C<3>,1|H<1>}	87.1995	0.080	2	87.1995	0.006	2	86.5926	0.510	4	87.0706	0.552	13	91.3226	11.260	296	91.2851	10.883	374
997	818	818	5:SP3_SP2_SP2	Se[5]	C[5]	C[5]	3:3:	3:3:2:	3:2:1:	C[5]-3:C[5]-3:	C[5a]-3:C[5]-3:Se[5]-2:	C[5]-3:Se[5]-2:H-1:	Se[5](C[5]C[5a]C[5])(C[5]C[5]H)	C[5](C[5a]N[5a]S[5a])(C[5]C[5]H)(Se[5]C[5])	C[5](C[5]C[5]C)(Se[5]C[5])(H)	Se[5](C[5]C[5a]C[5])(C[5]C[5]H){1|C<4>,1|H<1>,1|N<2>,1|S<2>}	C[5](C[5a]N[5a]S[5a])(C[5]C[5]H)(Se[5]C[5]){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5](C[5]C[5]C)(Se[5]C[5])(H){1|C<3>,1|H<1>}	85.9858	0.226	2	85.9858	0.051	2	86.5926	0.510	4	87.0706	0.552	13	91.3226	11.260	296	91.2851	10.883	374
997	818	818	5:SP3_SP2_SP2	Se[5]	C[5]	C[5]	3:3:	3:3:2:	3:2:1:	C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:Se[5]-2:	C[5]-3:Se[5]-2:H-1:	Se[5](C[5]C[6a]C[5])(C[5]C[5]H)	C[5](C[6a]C[5,6a]C[6a])(C[5]C[5]H)(Se[5]C[5])	C[5](C[5]C[5]H)(Se[5]C[5])(H)	Se[5](C[5]C[6a]C[5])(C[5]C[5]H){2|C<3>,2|H<1>}	C[5](C[6a]C[5,6a]C[6a])(C[5]C[5]H)(Se[5]C[5]){1|N<2>,2|C<3>,3|H<1>}	C[5](C[5]C[5]H)(Se[5]C[5])(H){1|C<3>,1|H<1>}	87.4411	0.895	2	87.4411	0.802	2	87.3255	0.521	8	87.0706	0.552	13	91.3226	11.260	296	91.2851	10.883	374
997	818	818	5:SP3_SP2_SP2	Se[5]	C[5]	C[5]	3:3:	3:3:2:	3:2:1:	C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:Se[5]-2:	C[5]-3:Se[5]-2:H-1:	Se[5](C[5]C[6a]C[5])(C[5]C[5]H)	C[5](C[6a]C[5a,6a]C[6a])(C[5]C[5]H)(Se[5]C[5])	C[5](C[5]C[5]H)(Se[5]C[5])(H)	Se[5](C[5]C[6a]C[5])(C[5]C[5]H){2|C<3>,2|H<1>}	C[5](C[6a]C[5a,6a]C[6a])(C[5]C[5]H)(Se[5]C[5]){1|N<2>,2|C<3>,3|H<1>}	C[5](C[5]C[5]H)(Se[5]C[5])(H){1|C<3>,1|H<1>}	86.8580	0.411	2	86.8580	0.169	2	87.3255	0.521	8	87.0706	0.552	13	91.3226	11.260	296	91.2851	10.883	374
997	818	818	5:SP3_SP2_SP2	Se[5]	C[5]	C[5]	3:3:	3:3:2:	3:2:1:	C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:Se[5]-2:	C[5]-3:Se[5]-2:H-1:	Se[5](C[5]C[6a]C[5])(C[5]C[5]H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(Se[5]C[5])	C[5](C[5]C[5]H)(Se[5]C[5])(H)	Se[5](C[5]C[6a]C[5])(C[5]C[5]H){2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(Se[5]C[5]){2|C<3>,4|H<1>}	C[5](C[5]C[5]H)(Se[5]C[5])(H){1|C<3>,1|H<1>}	87.6742	0.000	1	87.6742	0.000	1	87.3255	0.521	8	87.0706	0.552	13	91.3226	11.260	296	91.2851	10.883	374
997	818	818	5:SP3_SP2_SP2	Se[5]	C[5]	C[5]	3:3:	3:3:2:	3:2:1:	C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:Se[5]-2:	C[5]-3:Se[5]-2:H-1:	Se[5](C[5]C[6a]C[5])(C[5]C[5]H)	C[5](C[6a]C[6a]2)(C[5]C[5]I)(Se[5]C[5])	C[5](C[5]C[6a]C[5])(Se[5]C[5])(H)	Se[5](C[5]C[6a]C[5])(C[5]C[5]H){1|I<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]I)(Se[5]C[5]){3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5])(Se[5]C[5])(H){1|I<1>,3|C<3>}	88.0209	0.229	2	88.0209	0.052	2	87.3255	0.521	8	87.0706	0.552	13	91.3226	11.260	296	91.2851	10.883	374
997	818	818	5:SP3_SP2_SP2	Se[5]	C[5]	C[5]	3:3:	3:3:2:	3:2:1:	C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:Se[5]-2:	C[5]-3:Se[5]-2:H-1:	Se[5](C[5]C[6a]C[5])(C[5]C[5]H)	C[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(Se[5]C[5])	C[5](C[5]C[5]H)(Se[5]C[5])(H)	Se[5](C[5]C[6a]C[5])(C[5]C[5]H){1|C<3>,1|N<2>,2|H<1>}	C[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(Se[5]C[5]){2|C<3>,3|H<1>}	C[5](C[5]C[5]H)(Se[5]C[5])(H){1|C<3>,1|H<1>}	86.2896	0.000	1	86.2896	0.000	1	87.3255	0.521	8	87.0706	0.552	13	91.3226	11.260	296	91.2851	10.883	374
997	818	818	5:SP3_SP2_SP2	Se[5]	C[5]	C[5]	3:3:	3:3:2:	3:2:2:	C[5]-3:C[5]-3:	C[5a]-3:C[5]-3:Se[5]-2:	C[5]-3:Se[5]-2:Se-2:	Se[5](C[5]C[5a]C[5])(C[5]C[5]Se)	C[5](C[5a]C[5a]O[5a])(C[5]C[5]H)(Se[5]C[5])	C[5](C[5]C[5]H)(Se[5]C[5])(SeC[5])	Se[5](C[5]C[5a]C[5])(C[5]C[5]Se){1|C<3>,1|O<2>,2|H<1>}	C[5](C[5a]C[5a]O[5a])(C[5]C[5]H)(Se[5]C[5]){1|Se<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5]H)(Se[5]C[5])(SeC[5]){1|C<3>,1|H<1>}	87.1294	0.589	2	87.1294	0.347	2	87.1294	0.347	2	86.1963	2.786	3	91.3226	11.260	296	91.2851	10.883	374
997	818	818	5:SP3_SP2_SP2	Se[5]	C[5]	C[5]	3:3:	3:3:2:	3:2:2:	C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:Se[5]-2:	N[6]-3:Se[5]-2:N[5]-2:	Se[5](C[5]C[6a]C[5])(C[5]N[5]N[6])	C[5](C[6a]C[6a]2)(C[5]N[5]C)(Se[5]C[5])	C[5](N[6]C[6]2)(Se[5]C[5])(N[5]C[5])	Se[5](C[5]C[6a]C[5])(C[5]N[5]N[6]){2|C<4>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]C)(Se[5]C[5]){1|N<3>,2|C<3>,2|H<1>}	C[5](N[6]C[6]2)(Se[5]C[5])(N[5]C[5]){2|C<3>,2|C<4>,4|H<1>}	84.3301	0.000	1	84.3301	0.000	1	84.3301	0.000	1	86.1963	2.786	3	91.3226	11.260	296	91.2851	10.883	374
997	818	818	5:SP3_SP2_SP2	Se[5]	C[5]	C[5]	3:3:	3:3:2:	3:2:3:	C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:Se[5]-2:	C[5]-3:Se[5]-2:C-3:	Se[5](C[5]C[6a]C[5])(C[5]C[5]C)	C[5](C[6a]C[6a]2)(C[5]C[5]I)(Se[5]C[5])	C[5](C[5]C[5]H)(Se[5]C[5])(CC[6a]O)	Se[5](C[5]C[6a]C[5])(C[5]C[5]C){1|H<1>,1|I<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]I)(Se[5]C[5]){3|C<3>,3|H<1>}	C[5](C[5]C[5]H)(Se[5]C[5])(CC[6a]O){1|C<3>,1|I<1>}	87.5215	0.000	1	87.5215	0.000	1	87.5215	0.000	1	87.5215	0.000	1	91.3226	11.260	296	91.2851	10.883	374
997	818	818	5:SP3_SP2_SP2	Se[5]	C[5]	C[5]	3:3:	3:3:2:	3:2:4:	C[5]-3:C[5]-3:	B[5]-3:C[5]-3:Se[5]-2:	C[5]-3:Se[5]-2:Si-4:	Se[5](C[5]B[5]C[5])(C[5]C[5]Si)	C[5](B[5]O[5]2)(C[5]C[5]H)(Se[5]C[5])	C[5](C[5]C[5]H)(Se[5]C[5])(SiC3)	Se[5](C[5]B[5]C[5])(C[5]C[5]Si){2|H<1>,2|O<2>}	C[5](B[5]O[5]2)(C[5]C[5]H)(Se[5]C[5]){1|Si<4>,1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]H)(Se[5]C[5])(SiC3){1|B<3>,1|H<1>}	88.8451	0.000	1	89.2833	0.384	2	89.2833	0.384	2	88.9300	0.407	6	91.3226	11.260	296	91.2851	10.883	374
997	818	818	5:SP3_SP2_SP2	Se[5]	C[5]	C[5]	3:3:	3:3:2:	3:2:4:	C[5]-3:C[5]-3:	B[5]-3:C[5]-3:Se[5]-2:	C[5]-3:Se[5]-2:Si-4:	Se[5](C[5]B[5]C[5])(C[5]C[5]Si)	C[5](B[5]O[5]2)(C[5]C[5]H)(Se[5]C[5])	C[5](C[5]C[5]H)(Se[5]C[5])(SiC3)	Se[5](C[5]B[5]C[5])(C[5]C[5]Si){2|H<1>,2|O<2>}	C[5](B[5]O[5]2)(C[5]C[5]H)(Se[5]C[5]){1|Si<4>,1|H<1>,2|C<4>}	C[5](C[5]C[5]H)(Se[5]C[5])(SiC3){1|B<3>,1|H<1>}	89.7214	0.000	1	89.2833	0.384	2	89.2833	0.384	2	88.9300	0.407	6	91.3226	11.260	296	91.2851	10.883	374
997	818	818	5:SP3_SP2_SP2	Se[5]	C[5]	C[5]	3:3:	3:3:2:	3:2:4:	C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:Se[5]-2:	C[5]-3:Se[5]-2:C-4:	Se[5](C[5]C[6a]C[5])(C[5]C[5]C)	C[5](C[6a]C[6a]2)(C[5]C[5]I)(Se[5]C[5])	C[5](C[5]C[5]H)(Se[5]C[5])(CC[6a]HO)	Se[5](C[5]C[6a]C[5])(C[5]C[5]C){1|H<1>,1|I<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]I)(Se[5]C[5]){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5]H)(Se[5]C[5])(CC[6a]HO){1|C<3>,1|I<1>}	88.1950	0.097	2	88.1950	0.009	2	88.1950	0.009	2	88.9300	0.407	6	91.3226	11.260	296	91.2851	10.883	374
997	818	818	5:SP3_SP2_SP2	Se[5]	C[5]	C[5]	3:3:	3:3:2:	3:2:4:	C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:Se[5]-2:	C[5]-3:Se[5]-2:Si-4:	Se[5](C[5]C[6a]C[5])(C[5]C[5]Si)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(Se[5]C[5])	C[5](C[5]C[5]H)(Se[5]C[5])(SiC3)	Se[5](C[5]C[6a]C[5])(C[5]C[5]Si){2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(Se[5]C[5]){1|Si<4>,1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5]H)(Se[5]C[5])(SiC3){1|C<3>,1|H<1>}	89.3116	0.142	2	89.3116	0.020	2	89.3116	0.020	2	88.9300	0.407	6	91.3226	11.260	296	91.2851	10.883	374
997	818	818	5:SP3_SP2_SP2	Se[5]	C[5]	C[5]	3:3:	3:3:2:	3:3:2:	C[5]-3:C[5]-3:	C-3:C[5]-3:Se[5]-2:	C-3:C[5]-3:Se[5]-2:	Se[5](C[5]C[5]C)2	C[5](CC[6a]C[5])(C[5]C[5]H)(Se[5]C[5])	C[5](CC[6a]C[5])(C[5]C[5]H)(Se[5]C[5])	Se[5](C[5]C[5]C)2{2|H<1>}	C[5](CC[6a]C[5])(C[5]C[5]H)(Se[5]C[5]){1|C<3>,1|H<1>}	C[5](CC[6a]C[5])(C[5]C[5]H)(Se[5]C[5]){1|C<3>,1|H<1>}	86.6660	0.000	1	86.6660	0.000	1	86.6660	0.000	1	87.8939	0.447	21	91.3226	11.260	296	91.2851	10.883	374
997	818	818	5:SP3_SP2_SP2	Se[5]	C[5]	C[5]	3:3:	3:3:2:	3:3:2:	C[5]-3:C[5]-3:	C[5,5]-3:C[5a]-3:Se[5]-2:	C[5,5]-3:C[5a]-3:Se[5]-2:	Se[5](C[5]C[5,5]C[5a])2	C[5](C[5,5]C[5,5]C[5])(C[5a]C[5a]S[5a])(Se[5]C[5])	C[5](C[5,5]C[5,5]C[5])(C[5a]C[5a]S[5a])(Se[5]C[5])	Se[5](C[5]C[5,5]C[5a])2{2|C<3>,2|C<4>,2|S<2>}	C[5](C[5,5]C[5,5]C[5])(C[5a]C[5a]S[5a])(Se[5]C[5]){2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5a]C[5a]S[5a])(Se[5]C[5]){2|C<4>,3|C<3>,3|H<1>}	87.5804	0.103	2	87.5804	0.011	2	87.5804	0.011	2	87.8939	0.447	21	91.3226	11.260	296	91.2851	10.883	374
997	818	818	5:SP3_SP2_SP2	Se[5]	C[5]	C[5]	3:3:	3:3:2:	3:3:2:	C[5]-3:C[5]-3:	C[5,5]-3:C[6a]-3:Se[5]-2:	C[5,5]-3:C[6a]-3:Se[5]-2:	Se[5](C[5]C[5,5]C[6a])2	C[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(Se[5]C[5])	C[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(Se[5]C[5])	Se[5](C[5]C[5,5]C[6a])2{2|C<4>,4|C<3>}	C[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(Se[5]C[5]){2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(Se[5]C[5]){2|C<4>,3|C<3>,4|H<1>}	88.6912	0.000	1	88.6912	0.000	1	88.6912	0.000	1	87.8939	0.447	21	91.3226	11.260	296	91.2851	10.883	374
997	818	818	5:SP3_SP2_SP2	Se[5]	C[5]	C[5]	3:3:	3:3:2:	3:3:2:	C[5]-3:C[5]-3:	C[5,6]-3:B[5]-3:Se[5]-2:	C[5,6]-3:B[5]-3:Se[5]-2:	Se[5](C[5]C[5,6]B[5])2	C[5](C[5,6]C[5,6]C[6])(B[5]O[5]2)(Se[5]C[5])	C[5](C[5,6]C[5,6]C[6])(B[5]O[5]2)(Se[5]C[5])	Se[5](C[5]C[5,6]B[5])2{2|C<4>,4|O<2>}	C[5](C[5,6]C[5,6]C[6])(B[5]O[5]2)(Se[5]C[5]){1|B<3>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6])(B[5]O[5]2)(Se[5]C[5]){1|B<3>,2|H<1>,4|C<4>}	88.7785	0.000	1	88.7785	0.000	1	88.7785	0.000	1	87.8939	0.447	21	91.3226	11.260	296	91.2851	10.883	374
997	818	818	5:SP3_SP2_SP2	Se[5]	C[5]	C[5]	3:3:	3:3:2:	3:3:2:	C[5]-3:C[5]-3:	C[5]-3:B[5]-3:Se[5]-2:	C[5]-3:B[5]-3:Se[5]-2:	Se[5](C[5]B[5]C[5])2	C[5](C[5]B[5]C[5])(B[5]O[5]2)(Se[5]C[5])	C[5](C[5]B[5]C[5])(B[5]O[5]2)(Se[5]C[5])	Se[5](C[5]B[5]C[5])2{2|B<3>,4|O<2>}	C[5](C[5]B[5]C[5])(B[5]O[5]2)(Se[5]C[5]){2|B<3>,2|C<4>,2|O<2>}	C[5](C[5]B[5]C[5])(B[5]O[5]2)(Se[5]C[5]){2|B<3>,2|C<4>,2|O<2>}	88.5206	0.000	1	88.5206	0.000	1	88.5206	0.000	1	87.8939	0.447	21	91.3226	11.260	296	91.2851	10.883	374
997	818	818	5:SP3_SP2_SP2	Se[5]	C[5]	C[5]	3:3:	3:3:2:	3:3:2:	C[5]-3:C[5]-3:	C[5]-3:C[5]-3:Se[5]-2:	C-3:C[5]-3:Se[5]-2:	Se[5](C[5]C[5]2)(C[5]C[5]C)	C[5](C[5]Se[5]C[5])(C[5]C[5]H)(Se[5]C[5])	C[5](CC[6a]C[5])(C[5]C[5]H)(Se[5]C[5])	Se[5](C[5]C[5]2)(C[5]C[5]C){1|Se<2>,1|C<3>,2|H<1>}	C[5](C[5]Se[5]C[5])(C[5]C[5]H)(Se[5]C[5]){2|H<1>,3|C<3>}	C[5](CC[6a]C[5])(C[5]C[5]H)(Se[5]C[5]){1|C<3>,1|H<1>}	87.7429	0.359	4	87.7429	0.129	4	87.7429	0.129	4	87.8939	0.447	21	91.3226	11.260	296	91.2851	10.883	374
997	818	818	5:SP3_SP2_SP2	Se[5]	C[5]	C[5]	3:3:	3:3:2:	3:3:2:	C[5]-3:C[5]-3:	C[5]-3:C[6a]-3:Se[5]-2:	C[5]-3:C[6a]-3:Se[5]-2:	Se[5](C[5]C[6a]C[5])2	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(Se[5]C[5])	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(Se[5]C[5])	Se[5](C[5]C[6a]C[5])2{6|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(Se[5]C[5]){2|H<1>,6|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(Se[5]C[5]){2|H<1>,6|C<3>}	87.4126	0.000	1	87.4126	0.000	1	87.4126	0.000	1	87.8939	0.447	21	91.3226	11.260	296	91.2851	10.883	374
997	818	818	5:SP3_SP2_SP2	Se[5]	C[5]	C[5]	3:3:	3:3:2:	3:3:2:	C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:Se[5]-2:	C[5]-3:C[5]-3:Se[5]-2:	Se[5](C[5]C[6a]C[5])(C[5]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(Se[5]C[5])	C[5](C[5]Se[5]C[5])(C[5]C[5]H)(Se[5]C[5])	Se[5](C[5]C[6a]C[5])(C[5]C[5]2){1|Se<2>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(Se[5]C[5]){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]Se[5]C[5])(C[5]C[5]H)(Se[5]C[5]){2|H<1>,3|C<3>}	87.9228	0.129	4	87.9228	0.017	4	87.9228	0.017	4	87.8939	0.447	21	91.3226	11.260	296	91.2851	10.883	374
997	818	818	5:SP3_SP2_SP2	Se[5]	C[5]	C[5]	3:3:	3:3:2:	3:3:2:	C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:Se[5]-2:	C[6a]-3:C[5]-3:Se[5]-2:	Se[5](C[5]C[6a]C[5])2	C[5](C[6a]C[5a,6a]C[6a])(C[5]C[5]H)(Se[5]C[5])	C[5](C[6a]C[5a,6a]C[6a])(C[5]C[5]H)(Se[5]C[5])	Se[5](C[5]C[6a]C[5])2{2|H<1>,4|C<3>}	C[5](C[6a]C[5a,6a]C[6a])(C[5]C[5]H)(Se[5]C[5]){1|N<3>,2|H<1>,3|C<3>}	C[5](C[6a]C[5a,6a]C[6a])(C[5]C[5]H)(Se[5]C[5]){1|N<3>,2|H<1>,3|C<3>}	88.7560	0.139	2	88.7560	0.019	2	88.3397	0.179	5	87.8939	0.447	21	91.3226	11.260	296	91.2851	10.883	374
997	818	818	5:SP3_SP2_SP2	Se[5]	C[5]	C[5]	3:3:	3:3:2:	3:3:2:	C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:Se[5]-2:	C[6a]-3:C[5]-3:Se[5]-2:	Se[5](C[5]C[6a]C[5])2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(Se[5]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]H)(Se[5]C[5])	Se[5](C[5]C[6a]C[5])2{2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(Se[5]C[5]){3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(Se[5]C[5]){3|C<3>,3|H<1>}	88.0621	0.244	3	88.0621	0.060	3	88.3397	0.179	5	87.8939	0.447	21	91.3226	11.260	296	91.2851	10.883	374
997	818	818	5:SP3_SP2_SP2	Se[5]	C[5]	C[5]	3:3:	3:3:2:	3:3:2:	C[5]-3:C[5]-3:	N[6]-3:C[5]-3:Se[5]-2:	N[6]-3:C[5]-3:Se[5]-2:	Se[5](C[5]C[5]N[6])2	C[5](N[6]C[6,6a]2)(C[5]C[5]H)(Se[5]C[5])	C[5](N[6]C[6,6a]2)(C[5]C[5]H)(Se[5]C[5])	Se[5](C[5]C[5]N[6])2{2|H<1>,4|C<3>}	C[5](N[6]C[6,6a]2)(C[5]C[5]H)(Se[5]C[5]){1|H<1>,1|N<3>,4|C<3>}	C[5](N[6]C[6,6a]2)(C[5]C[5]H)(Se[5]C[5]){1|H<1>,1|N<3>,4|C<3>}	86.1816	0.000	1	86.1816	0.000	1	86.1816	0.000	1	87.8939	0.447	21	91.3226	11.260	296	91.2851	10.883	374
997	818	818	5:SP3_SP2_SP2	Se[5]	C[5]	C[5]	3:3:	4:3:2:	4:3:2:	C[5]-3:C[5]-3:	C-4:C[5]-3:Se[5]-2:	C-4:C[5]-3:Se[5]-2:	Se[5](C[5]C[5]C)2	C[5](CC[5a]C[6a]H)(C[5]C[5]H)(Se[5]C[5])	C[5](CC[5a]C[6a]H)(C[5]C[5]H)(Se[5]C[5])	Se[5](C[5]C[5]C)2{2|H<1>}	C[5](CC[5a]C[6a]H)(C[5]C[5]H)(Se[5]C[5]){1|C<4>,1|H<1>}	C[5](CC[5a]C[6a]H)(C[5]C[5]H)(Se[5]C[5]){1|C<4>,1|H<1>}	87.8467	0.000	1	87.8467	0.000	1	87.8467	0.000	1	87.8467	0.000	1	91.3226	11.260	296	91.2851	10.883	374
997	818	891	5:SP3_SP2_SP2	Se[5]	C[5,6]	S[5]	3:2:	3:3:2:	2:2:	C[5,6]-3:S[5]-2:	C[5,6]-3:C[6]-3:Se[5]-2:	Se[5]-2:N[5]-2:	Se[5](C[5,6]C[5,6]C[6])(S[5]N[5])	C[5,6](C[5,6]N[5]N[6])(C[6]C[5,6]Cl)(Se[5]S[5])	S[5](Se[5]C[5,6])(N[5]C[5,6])	Se[5](C[5,6]C[5,6]C[6])(S[5]N[5]){1|Cl<1>,1|C<3>,1|N<3>}	C[5,6](C[5,6]N[5]N[6])(C[6]C[5,6]Cl)(Se[5]S[5]){1|Se<2>,1|C<3>,1|C<4>}	S[5](Se[5]C[5,6])(N[5]C[5,6]){1|C<3>,1|N<3>}	86.7814	0.099	3	86.7814	0.010	3	87.1873	0.178	7	87.1873	0.178	7	87.1873	0.178	7	87.3527	0.781	9
997	818	891	5:SP3_SP2_SP2	Se[5]	C[5,6]	S[5]	3:2:	3:3:2:	2:2:	C[5,6]-3:S[5]-2:	C[5,6]-3:C[6]-3:Se[5]-2:	Se[5]-2:N[5]-2:	Se[5](C[5,6]C[5,6]C[6])(S[5]N[5])	C[5,6](C[5,6]N[5]N[6])(C[6]C[5,6]H)(Se[5]S[5])	S[5](Se[5]C[5,6])(N[5]C[5,6])	Se[5](C[5,6]C[5,6]C[6])(S[5]N[5]){1|C<3>,1|H<1>,1|N<3>}	C[5,6](C[5,6]N[5]N[6])(C[6]C[5,6]H)(Se[5]S[5]){1|Se<2>,1|C<3>,1|C<4>}	S[5](Se[5]C[5,6])(N[5]C[5,6]){1|C<3>,1|N<3>}	87.4917	0.246	4	87.4917	0.060	4	87.1873	0.178	7	87.1873	0.178	7	87.1873	0.178	7	87.3527	0.781	9
997	818	891	5:SP3_SP2_SP2	Se[5]	C[5]	S[5]	3:2:	2:2:3:	3:2:	C[5]-3:S[5]-2:	Se[5]-2:N[5]-2:C-3:	C[5]-3:Se[5]-2:	Se[5](C[5]N[5]C)(S[5]C[5])	C[5](Se[5]S[5])(N[5]C[5])(CCC)	S[5](C[5]N[5]N)(Se[5]C[5])	Se[5](C[5]N[5]C)(S[5]C[5]){1|N<3>}	C[5](Se[5]S[5])(N[5]C[5])(CCC){1|N<3>}	S[5](C[5]N[5]N)(Se[5]C[5]){1|C<3>}	86.4618	0.000	1	86.4618	0.000	1	86.4618	0.000	1	86.4618	0.000	1	87.9314	4.319	2	87.3527	0.781	9
997	818	891	5:SP3_SP2_SP2	Se[5]	C[5]	S[5]	3:2:	3:2:2:	3:2:	C[5]-3:S[5]-2:	C[6a]-3:Se[5]-2:N[5]-2:	C[5]-3:Se[5]-2:	Se[5](C[5]C[6a]N[5])(S[5]C[5])	C[5](C[6a]C[6a]2)(Se[5]S[5])(N[5]C[5])	S[5](C[5]N[5]N)(Se[5]C[5])	Se[5](C[5]C[6a]N[5])(S[5]C[5]){1|N<3>,2|C<3>}	C[5](C[6a]C[6a]2)(Se[5]S[5])(N[5]C[5]){1|N<3>,2|C<3>,2|H<1>}	S[5](C[5]N[5]N)(Se[5]C[5]){1|C<3>}	89.4010	0.000	1	89.4010	0.000	1	89.4010	0.000	1	89.4010	0.000	1	87.9314	4.319	2	87.3527	0.781	9
997	818	955	5:SP3_SP2_SP3	Se[5]	C[5,5]	P[5]	3:4:	3:3:2:	3:3:2:1:	C[5,5]-3:P[5]-4:	C[5,5]-3:C[5]-3:Se[5]-2:	C[5]-3:C[6a]-3:Se[5]-2:Se-1:	Se[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5]Se)	C[5,5](C[5,5]Se[5]C[5])(C[5]P[5]C)(Se[5]P[5])	P[5](C[5]C[5,5]C)(C[6a]C[6a]2)(Se[5]C[5,5])(Se)	Se[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5]Se){1|Se<2>,1|P<4>,2|C<3>,2|C<4>}	C[5,5](C[5,5]Se[5]C[5])(C[5]P[5]C)(Se[5]P[5]){2|Se<1>,1|C<4>,2|C<3>}	P[5](C[5]C[5,5]C)(C[6a]C[6a]2)(Se[5]C[5,5])(Se){1|Se<2>,2|H<1>,3|C<3>}	91.6361	0.206	2	91.6361	0.042	2	91.6361	0.042	2	91.6361	0.042	2	91.6361	0.042	2	90.4165	4.484	3
997	818	955	5:SP3_SP2_SP3	Se[5]	C[5]	P[5]	4:3:	3:2:3:	4:3:2:1:	P[5]-4:C[5]-3:	C[5]-3:Se[5]-2:C-3:	C[5]-4:C[6a]-3:Se[5]-2:Se-1:	Se[5](P[5]C[6a]C[5]Se)(C[5]C[5]C)	C[5](C[5]C[5]H)(Se[5]P[5])(CCH)	P[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(Se[5]C[5])(Se)	Se[5](P[5]C[6a]C[5]Se)(C[5]C[5]C){2|H<1>,3|C<3>}	C[5](C[5]C[5]H)(Se[5]P[5])(CCH){1|Se<1>,1|H<1>,2|C<3>}	P[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(Se[5]C[5])(Se){3|H<1>,5|C<3>}	87.9772	0.000	1	87.9772	0.000	1	87.9772	0.000	1	87.9772	0.000	1	87.9772	0.000	1	90.4165	4.484	3
997	818	960	5:SP3_SP2_SP2	Se[5]	C[5,6]	N[5]	3:2:	3:4:2:	2:2:	C[5,6]-3:N[5]-2:	C[5,6]-3:C[6]-4:Se[5]-2:	Se[5]-2:N[5]-2:	Se[5](C[5,6]C[5,6]C[6])(N[5]N[5])	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]HH)(Se[5]N[5])	N[5](Se[5]C[5,6])(N[5]C[5,6])	Se[5](C[5,6]C[5,6]C[6])(N[5]N[5]){2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]HH)(Se[5]N[5]){2|C<4>,3|H<1>}	N[5](Se[5]C[5,6])(N[5]C[5,6]){2|C<4>}	86.7131	0.008	2	86.7131	0.000	2	86.7131	0.000	2	86.7131	0.000	2	86.7131	0.000	2	87.5899	1.404	22
997	818	960	5:SP3_SP2_SP2	Se[5]	C[5]	N[5]	3:2:	3:2:1:	2:2:	C[5]-3:N[5]-2:	C[5]-3:Se[5]-2:H-1:	Se[5]-2:N[5]-2:	Se[5](C[5]C[5]H)(N[5]N[5])	C[5](C[5]C[5a]N[5])(Se[5]N[5])(H)	N[5](Se[5]C[5])(N[5]C[5])	Se[5](C[5]C[5]H)(N[5]N[5]){1|C<3>}	C[5](C[5]C[5a]N[5])(Se[5]N[5])(H){1|C<3>,1|S<2>}	N[5](Se[5]C[5])(N[5]C[5]){1|C<3>,1|H<1>}	86.8930	0.000	1	86.8930	0.000	1	86.6545	0.114	2	86.6545	0.114	2	87.6775	1.462	20	87.5899	1.404	22
997	818	960	5:SP3_SP2_SP2	Se[5]	C[5]	N[5]	3:2:	3:2:1:	2:2:	C[5]-3:N[5]-2:	C[5]-3:Se[5]-2:H-1:	Se[5]-2:N[5]-2:	Se[5](C[5]C[5]H)(N[5]N[5])	C[5](C[5]C[6a]N[5])(Se[5]N[5])(H)	N[5](Se[5]C[5])(N[5]C[5])	Se[5](C[5]C[5]H)(N[5]N[5]){1|C<3>}	C[5](C[5]C[6a]N[5])(Se[5]N[5])(H){2|C<3>}	N[5](Se[5]C[5])(N[5]C[5]){1|C<3>,1|H<1>}	86.4160	0.000	1	86.4160	0.000	1	86.6545	0.114	2	86.6545	0.114	2	87.6775	1.462	20	87.5899	1.404	22
997	818	960	5:SP3_SP2_SP2	Se[5]	C[5]	N[5]	3:2:	3:2:2:	3:2:	C[5]-3:N[5]-2:	N[5,5]-3:Se[5]-2:N-2:	C[5,5]-3:Se[5]-2:	Se[5](C[5]N[5,5]N)(N[5]C[5,5])	C[5](N[5,5]C[5,6a]C[5,5])(Se[5]N[5])(NC[6])	N[5](C[5,5]N[5,5]N[5])(Se[5]C[5])	Se[5](C[5]N[5,5]N)(N[5]C[5,5]){1|C<3>,1|N<3>}	C[5](N[5,5]C[5,6a]C[5,5])(Se[5]N[5])(NC[6]){1|N<3>,2|C<3>}	N[5](C[5,5]N[5,5]N[5])(Se[5]C[5]){1|C<4>,1|N<2>,2|C<3>}	91.3561	0.000	1	91.3561	0.000	1	91.3561	0.000	1	91.3561	0.000	1	87.6775	1.462	20	87.5899	1.404	22
997	818	960	5:SP3_SP2_SP2	Se[5]	C[5]	N[5]	3:2:	3:2:3:	2:2:	C[5]-3:N[5]-2:	C[5]-3:Se[5]-2:C-3:	Se[5]-2:N[5]-2:	Se[5](C[5]C[5]C)(N[5]N[5])	C[5](C[5]C[6a]N[5])(Se[5]N[5])(CC[6a]C)	N[5](Se[5]C[5])(N[5]C[5])	Se[5](C[5]C[5]C)(N[5]N[5]){1|C<3>}	C[5](C[5]C[6a]N[5])(Se[5]N[5])(CC[6a]C){2|C<3>}	N[5](Se[5]C[5])(N[5]C[5]){2|C<3>}	86.5199	0.000	1	86.5199	0.000	1	86.5199	0.000	1	86.5199	0.000	1	87.6775	1.462	20	87.5899	1.404	22
997	818	960	5:SP3_SP2_SP2	Se[5]	C[5]	N[5]	3:2:	3:2:4:	2:2:	C[5]-3:N[5]-2:	C[5]-3:Se[5]-2:C-4:	Se[5]-2:N[5]-2:	Se[5](C[5]C[5]C)(N[5]N[5])	C[5](C[5]C[3]N[5])(Se[5]N[5])(CCHH)	N[5](Se[5]C[5])(N[5]C[5])	Se[5](C[5]C[5]C)(N[5]N[5]){1|C<4>}	C[5](C[5]C[3]N[5])(Se[5]N[5])(CCHH){1|H<1>,2|C<4>}	N[5](Se[5]C[5])(N[5]C[5]){2|C<4>}	87.2480	0.000	1	87.2480	0.000	1	87.2888	0.123	13	87.2888	0.123	13	87.6775	1.462	20	87.5899	1.404	22
997	818	960	5:SP3_SP2_SP2	Se[5]	C[5]	N[5]	3:2:	3:2:4:	2:2:	C[5]-3:N[5]-2:	C[5]-3:Se[5]-2:C-4:	Se[5]-2:N[5]-2:	Se[5](C[5]C[5]C)(N[5]N[5])	C[5](C[5]C[5]N[5])(Se[5]N[5])(CCHH)	N[5](Se[5]C[5])(N[5]C[5])	Se[5](C[5]C[5]C)(N[5]N[5]){1|C<3>}	C[5](C[5]C[5]N[5])(Se[5]N[5])(CCHH){1|C<3>,1|N<2>}	N[5](Se[5]C[5])(N[5]C[5]){1|C<3>,1|C<4>}	87.6579	0.352	2	87.6579	0.124	2	87.2888	0.123	13	87.2888	0.123	13	87.6775	1.462	20	87.5899	1.404	22
997	818	960	5:SP3_SP2_SP2	Se[5]	C[5]	N[5]	3:2:	3:2:4:	2:2:	C[5]-3:N[5]-2:	C[5]-3:Se[5]-2:C-4:	Se[5]-2:N[5]-2:	Se[5](C[5]C[5]C)(N[5]N[5])	C[5](C[5]C[6a]N[5])(Se[5]N[5])(CC[6a]CH)	N[5](Se[5]C[5])(N[5]C[5])	Se[5](C[5]C[5]C)(N[5]N[5]){1|C<3>}	C[5](C[5]C[6a]N[5])(Se[5]N[5])(CC[6a]CH){2|C<3>}	N[5](Se[5]C[5])(N[5]C[5]){1|C<3>,1|C<4>}	87.2191	0.338	10	87.2191	0.114	10	87.2888	0.123	13	87.2888	0.123	13	87.6775	1.462	20	87.5899	1.404	22
997	818	960	5:SP3_SP2_SP2	Se[5]	C[5]	N[5]	3:2:	3:2:4:	3:2:	C[5]-3:N[5]-2:	C[5]-3:Se[5]-2:C-4:	N[5]-3:Se[5]-2:	Se[5](C[5]C[5]C)(N[5]N[5])	C[5](C[5]N[5]C)(Se[5]N[5])(CCHH)	N[5](N[5]C[5]C)(Se[5]C[5])	Se[5](C[5]C[5]C)(N[5]N[5]){2|C<4>}	C[5](C[5]N[5]C)(Se[5]N[5])(CCHH){1|C<4>}	N[5](N[5]C[5]C)(Se[5]C[5]){2|C<4>}	89.2038	0.372	3	89.2038	0.138	3	89.2038	0.138	3	89.2038	0.138	3	87.6775	1.462	20	87.5899	1.404	22
997	818	997	5:SP3_SP2_SP3	Se[5]	C[5,5]	Se[5]	3:2:	3:3:2:	3:2:	C[5,5]-3:Se[5]-2:	C[5,5]-3:C[5]-3:Se[5]-2:	C[5]-3:Se[5]-2:	Se[5](C[5,5]C[5,5]C[5])(Se[5]C[5])	C[5,5](C[5,5]Se[5]C[5])(C[5]C[5a]Se[5])(Se[5]Se[5])	Se[5](C[5]C[5,5]C[5a])(Se[5]C[5,5])	Se[5](C[5,5]C[5,5]C[5])(Se[5]C[5]){2|Se<2>,2|C<3>}	C[5,5](C[5,5]Se[5]C[5])(C[5]C[5a]Se[5])(Se[5]Se[5]){1|S<2>,2|C<3>}	Se[5](C[5]C[5,5]C[5a])(Se[5]C[5,5]){1|Se<2>,1|S<2>,2|C<3>}	91.9367	0.000	1	91.9367	0.000	1	92.2721	0.725	3	92.2721	0.725	3	92.2721	0.725	3	90.0122	6.620	26
997	818	997	5:SP3_SP2_SP3	Se[5]	C[5,5]	Se[5]	3:2:	3:3:2:	3:2:	C[5,5]-3:Se[5]-2:	C[5,5]-3:C[5]-3:Se[5]-2:	C[5]-3:Se[5]-2:	Se[5](C[5,5]C[5,5]C[5])(Se[5]C[5])	C[5,5](C[5,5]Se[5]C[5])(C[5]C[6a]Se[5])(Se[5]Se[5])	Se[5](C[5]C[5,5]C[6a])(Se[5]C[5,5])	Se[5](C[5,5]C[5,5]C[5])(Se[5]C[5]){2|Se<2>,2|C<3>}	C[5,5](C[5,5]Se[5]C[5])(C[5]C[6a]Se[5])(Se[5]Se[5]){3|C<3>}	Se[5](C[5]C[5,5]C[6a])(Se[5]C[5,5]){1|Se<2>,3|C<3>}	91.6394	0.000	1	91.6394	0.000	1	92.2721	0.725	3	92.2721	0.725	3	92.2721	0.725	3	90.0122	6.620	26
997	818	997	5:SP3_SP2_SP3	Se[5]	C[5,5]	Se[5]	3:2:	3:3:2:	3:2:	C[5,5]-3:Se[5]-2:	C[5,5]-3:C[5]-3:Se[5]-2:	C[5]-3:Se[5]-2:	Se[5](C[5,5]C[5,5]C[5])(Se[5]C[5])	C[5,5](C[5,5]Se[5]C[5])(C[5]Se[5]C[5])(Se[5]Se[5])	Se[5](C[5]C[5,5]C[5])(Se[5]C[5,5])	Se[5](C[5,5]C[5,5]C[5])(Se[5]C[5]){2|Se<2>,2|C<3>}	C[5,5](C[5,5]Se[5]C[5])(C[5]Se[5]C[5])(Se[5]Se[5]){1|Se<2>,2|C<3>}	Se[5](C[5]C[5,5]C[5])(Se[5]C[5,5]){2|Se<2>,2|C<3>}	93.2403	0.000	1	93.2403	0.000	1	92.2721	0.725	3	92.2721	0.725	3	92.2721	0.725	3	90.0122	6.620	26
997	818	997	5:SP3_SP2_SP3	Se[5]	C[5,6]	Se[5]	3:2:	3:2:3:	3:2:	C[5,6]-3:Se[5]-2:	C[5,6]-3:Se[5]-2:C[6]-3:	C[5]-3:Se[5]-2:	Se[5](C[5,6]C[5,6]C[6])(Se[5]C[5])	C[5,6](C[5,6]C[5]C[6])(Se[5]Se[5])(C[6]C[6]C)	Se[5](C[5]C[5,6]H)(Se[5]C[5,6])	Se[5](C[5,6]C[5,6]C[6])(Se[5]C[5]){1|C<3>,1|H<1>,2|C<4>}	C[5,6](C[5,6]C[5]C[6])(Se[5]Se[5])(C[6]C[6]C){1|C<4>,5|H<1>}	Se[5](C[5]C[5,6]H)(Se[5]C[5,6]){1|C<3>,1|C<4>}	90.5425	0.000	1	90.5425	0.000	1	90.5425	0.000	1	90.5425	0.000	1	88.0203	0.769	11	90.0122	6.620	26
997	818	997	5:SP3_SP2_SP3	Se[5]	C[5,6]	Se[5]	3:2:	3:3:2:	2:2:	C[5,6]-3:Se[5]-2:	C[5,6]-3:C[6]-3:Se[5]-2:	Se[5]-2:N[5]-2:	Se[5](C[5,6]C[5,6]C[6])(Se[5]N[5])	C[5,6](C[5,6]N[5]N[6])(C[6]C[5,6]Br)(Se[5]Se[5])	Se[5](Se[5]C[5,6])(N[5]C[5,6])	Se[5](C[5,6]C[5,6]C[6])(Se[5]N[5]){1|Br<1>,1|C<3>,1|N<3>}	C[5,6](C[5,6]N[5]N[6])(C[6]C[5,6]Br)(Se[5]Se[5]){1|Se<2>,1|C<3>,1|C<4>}	Se[5](Se[5]C[5,6])(N[5]C[5,6]){1|C<3>,1|N<3>}	87.5973	0.000	1	87.5973	0.000	1	87.7680	0.077	10	87.7680	0.077	10	88.0203	0.769	11	90.0122	6.620	26
997	818	997	5:SP3_SP2_SP3	Se[5]	C[5,6]	Se[5]	3:2:	3:3:2:	2:2:	C[5,6]-3:Se[5]-2:	C[5,6]-3:C[6]-3:Se[5]-2:	Se[5]-2:N[5]-2:	Se[5](C[5,6]C[5,6]C[6])(Se[5]N[5])	C[5,6](C[5,6]N[5]N[6])(C[6]C[5,6]Cl)(Se[5]Se[5])	Se[5](Se[5]C[5,6])(N[5]C[5,6])	Se[5](C[5,6]C[5,6]C[6])(Se[5]N[5]){1|Cl<1>,1|C<3>,1|N<3>}	C[5,6](C[5,6]N[5]N[6])(C[6]C[5,6]Cl)(Se[5]Se[5]){1|Se<2>,1|C<3>,1|C<4>}	Se[5](Se[5]C[5,6])(N[5]C[5,6]){1|C<3>,1|N<3>}	87.5991	0.250	4	87.5991	0.062	4	87.7680	0.077	10	87.7680	0.077	10	88.0203	0.769	11	90.0122	6.620	26
997	818	997	5:SP3_SP2_SP3	Se[5]	C[5,6]	Se[5]	3:2:	3:3:2:	2:2:	C[5,6]-3:Se[5]-2:	C[5,6]-3:C[6]-3:Se[5]-2:	Se[5]-2:N[5]-2:	Se[5](C[5,6]C[5,6]C[6])(Se[5]N[5])	C[5,6](C[5,6]N[5]N[6])(C[6]C[5,6]H)(Se[5]Se[5])	Se[5](Se[5]C[5,6])(N[5]C[5,6])	Se[5](C[5,6]C[5,6]C[6])(Se[5]N[5]){1|C<3>,1|H<1>,1|N<3>}	C[5,6](C[5,6]N[5]N[6])(C[6]C[5,6]H)(Se[5]Se[5]){1|Se<2>,1|C<3>,1|C<4>}	Se[5](Se[5]C[5,6])(N[5]C[5,6]){1|C<3>,1|N<3>}	88.0421	0.019	4	88.0421	0.000	4	87.7680	0.077	10	87.7680	0.077	10	88.0203	0.769	11	90.0122	6.620	26
997	818	997	5:SP3_SP2_SP3	Se[5]	C[5,6]	Se[5]	3:2:	3:3:2:	2:2:	C[5,6]-3:Se[5]-2:	C[5,6]-3:C[6]-3:Se[5]-2:	Se[5]-2:N[5]-2:	Se[5](C[5,6]C[5,6]C[6])(Se[5]N[5])	C[5,6](C[5,6]N[5]N[6])(C[6]C[5,6]I)(Se[5]Se[5])	Se[5](Se[5]C[5,6])(N[5]C[5,6])	Se[5](C[5,6]C[5,6]C[6])(Se[5]N[5]){1|C<3>,1|I<1>,1|N<3>}	C[5,6](C[5,6]N[5]N[6])(C[6]C[5,6]I)(Se[5]Se[5]){1|Se<2>,1|C<3>,1|C<4>}	Se[5](Se[5]C[5,6])(N[5]C[5,6]){1|C<3>,1|N<3>}	87.5180	0.000	1	87.5180	0.000	1	87.7680	0.077	10	87.7680	0.077	10	88.0203	0.769	11	90.0122	6.620	26
997	818	997	5:SP3_SP2_SP3	Se[5]	C[5]	Se[5]	3:2:	2:2:2:	3:2:	C[5]-3:Se[5]-2:	Se[5]-2:N[5]-2:N-2:	C[5]-3:Se[5]-2:	Se[5](C[5]N[5]N)(Se[5]C[5])	C[5](Se[5]Se[5])(N[5]C[5])(NC)	Se[5](C[5]N[5]N[6])(Se[5]C[5])	Se[5](C[5]N[5]N)(Se[5]C[5]){1|N<3>}	C[5](Se[5]Se[5])(N[5]C[5])(NC){1|N<3>}	Se[5](C[5]N[5]N[6])(Se[5]C[5]){1|N<2>,2|C<4>}	88.7418	0.000	1	88.7418	0.000	1	88.7418	0.000	1	88.7418	0.000	1	91.2731	7.119	12	90.0122	6.620	26
997	818	997	5:SP3_SP2_SP3	Se[5]	C[5]	Se[5]	3:2:	2:3:2:	3:2:	C[5]-3:Se[5]-2:	Se[5]-2:N[6]-3:N[5]-2:	C[5]-3:Se[5]-2:	Se[5](C[5]N[5]N[6])(Se[5]C[5])	C[5](Se[5]Se[5])(N[6]C[6]2)(N[5]C[5])	Se[5](C[5]N[5]N)(Se[5]C[5])	Se[5](C[5]N[5]N[6])(Se[5]C[5]){1|N<2>,2|C<4>}	C[5](Se[5]Se[5])(N[6]C[6]2)(N[5]C[5]){1|N<2>,2|C<4>,4|H<1>}	Se[5](C[5]N[5]N)(Se[5]C[5]){1|N<3>}	88.8824	0.000	1	88.8824	0.000	1	88.8824	0.000	1	88.8824	0.000	1	91.2731	7.119	12	90.0122	6.620	26
997	818	997	5:SP3_SP2_SP3	Se[5]	C[5]	Se[5]	3:2:	2:3:3:	3:2:	C[5]-3:Se[5]-2:	Se[5]-2:C[5]-3:C-3:	C[5]-3:Se[5]-2:	Se[5](C[5]C[5]C)(Se[5]C[5])	C[5](Se[5]Se[5])(C[5]C[5]H)(CC[6a]C)	Se[5](C[5]C[6a]C[5])(Se[5]C[5])	Se[5](C[5]C[5]C)(Se[5]C[5]){1|C<3>,1|H<1>}	C[5](Se[5]Se[5])(C[5]C[5]H)(CC[6a]C){1|C<3>}	Se[5](C[5]C[6a]C[5])(Se[5]C[5]){1|H<1>,3|C<3>}	88.9524	0.261	2	88.9524	0.068	2	88.9524	0.068	2	88.9524	0.068	2	91.2731	7.119	12	90.0122	6.620	26
997	818	997	5:SP3_SP2_SP3	Se[5]	C[5]	Se[5]	3:2:	3:2:1:	3:2:	C[5]-3:Se[5]-2:	C[5,6]-3:Se[5]-2:H-1:	C[5,6]-3:Se[5]-2:	Se[5](C[5]C[5,6]H)(Se[5]C[5,6])	C[5](C[5,6]C[5,6]C[6])(Se[5]Se[5])(H)	Se[5](C[5,6]C[5,6]C[6])(Se[5]C[5])	Se[5](C[5]C[5,6]H)(Se[5]C[5,6]){1|C<3>,1|C<4>}	C[5](C[5,6]C[5,6]C[6])(Se[5]Se[5])(H){1|C<3>,1|C<4>,2|H<1>}	Se[5](C[5,6]C[5,6]C[6])(Se[5]C[5]){1|C<3>,1|H<1>,2|C<4>}	90.5186	0.000	1	90.5186	0.000	1	90.5186	0.000	1	90.5186	0.000	1	91.2731	7.119	12	90.0122	6.620	26
997	818	997	5:SP3_SP2_SP3	Se[5]	C[5]	Se[5]	3:2:	3:2:3:	3:2:	C[5]-3:Se[5]-2:	C[6a]-3:Se[5]-2:C[5]-3:	C[5]-3:Se[5]-2:	Se[5](C[5]C[6a]C[5])(Se[5]C[5])	C[5](C[6a]C[6a]2)(Se[5]Se[5])(C[5]C[5]H)	Se[5](C[5]C[5]C)(Se[5]C[5])	Se[5](C[5]C[6a]C[5])(Se[5]C[5]){1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(Se[5]Se[5])(C[5]C[5]H){2|H<1>,3|C<3>}	Se[5](C[5]C[5]C)(Se[5]C[5]){1|C<3>,1|H<1>}	90.5103	0.124	2	90.5103	0.015	2	90.5103	0.015	2	90.5103	0.015	2	91.2731	7.119	12	90.0122	6.620	26
997	818	997	5:SP3_SP2_SP3	Se[5]	C[5]	Se[5]	3:2:	3:3:2:	3:2:	C[5]-3:Se[5]-2:	C[5,5]-3:C[5]-3:Se[5]-2:	C[5,5]-3:Se[5]-2:	Se[5](C[5]C[5,5]C[5])(Se[5]C[5,5])	C[5](C[5,5]C[5,5]Se[5])(C[5]Se[5]C[5])(Se[5]Se[5])	Se[5](C[5,5]C[5,5]C[5])(Se[5]C[5])	Se[5](C[5]C[5,5]C[5])(Se[5]C[5,5]){2|Se<2>,2|C<3>}	C[5](C[5,5]C[5,5]Se[5])(C[5]Se[5]C[5])(Se[5]Se[5]){1|Se<2>,1|H<1>,3|C<3>}	Se[5](C[5,5]C[5,5]C[5])(Se[5]C[5]){2|Se<2>,2|C<3>}	92.0166	0.000	1	92.0166	0.000	1	92.0166	0.000	1	91.8003	0.036	3	91.2731	7.119	12	90.0122	6.620	26
997	818	997	5:SP3_SP2_SP3	Se[5]	C[5]	Se[5]	3:2:	3:3:2:	3:2:	C[5]-3:Se[5]-2:	C[5,5]-3:C[5a]-3:Se[5]-2:	C[5,5]-3:Se[5]-2:	Se[5](C[5]C[5,5]C[5a])(Se[5]C[5,5])	C[5](C[5,5]C[5,5]Se[5])(C[5a]C[5a]S[5a])(Se[5]Se[5])	Se[5](C[5,5]C[5,5]C[5])(Se[5]C[5])	Se[5](C[5]C[5,5]C[5a])(Se[5]C[5,5]){1|Se<2>,1|S<2>,2|C<3>}	C[5](C[5,5]C[5,5]Se[5])(C[5a]C[5a]S[5a])(Se[5]Se[5]){1|Se<2>,1|H<1>,3|C<3>}	Se[5](C[5,5]C[5,5]C[5])(Se[5]C[5]){2|Se<2>,2|C<3>}	91.7290	0.000	1	91.7290	0.000	1	91.7290	0.000	1	91.8003	0.036	3	91.2731	7.119	12	90.0122	6.620	26
997	818	997	5:SP3_SP2_SP3	Se[5]	C[5]	Se[5]	3:2:	3:3:2:	3:2:	C[5]-3:Se[5]-2:	C[5,5]-3:C[6a]-3:Se[5]-2:	C[5,5]-3:Se[5]-2:	Se[5](C[5]C[5,5]C[6a])(Se[5]C[5,5])	C[5](C[5,5]C[5,5]Se[5])(C[6a]C[6a]2)(Se[5]Se[5])	Se[5](C[5,5]C[5,5]C[5])(Se[5]C[5])	Se[5](C[5]C[5,5]C[6a])(Se[5]C[5,5]){1|Se<2>,3|C<3>}	C[5](C[5,5]C[5,5]Se[5])(C[6a]C[6a]2)(Se[5]Se[5]){1|Se<2>,2|H<1>,3|C<3>}	Se[5](C[5,5]C[5,5]C[5])(Se[5]C[5]){2|Se<2>,2|C<3>}	91.6553	0.000	1	91.6553	0.000	1	91.6553	0.000	1	91.8003	0.036	3	91.2731	7.119	12	90.0122	6.620	26
997	818	997	5:SP3_SP2_SP3	Se[5]	C[5]	Se[5]	3:2:	3:3:2:	4:2:	C[5]-3:Se[5]-2:	C[5]-3:C[5]-3:Se[5]-2:	P[5]-4:Se[5]-2:	Se[5](C[5]C[5]2)(Se[5]P[5])	C[5](C[5]C[6a]P[5])(C[5]Se[5]C[5])(Se[5]Se[5])	Se[5](P[5]C[6a]C[5]Se)(Se[5]C[5])	Se[5](C[5]C[5]2)(Se[5]P[5]){1|Se<1>,1|Se<2>,3|C<3>}	C[5](C[5]C[6a]P[5])(C[5]Se[5]C[5])(Se[5]Se[5]){1|Se<1>,1|Se<2>,1|P<4>,4|C<3>}	Se[5](P[5]C[6a]C[5]Se)(Se[5]C[5]){4|C<3>}	96.4041	0.192	2	96.4041	0.037	2	96.4041	0.037	2	96.4041	0.037	2	91.2731	7.119	12	90.0122	6.620	26
997	891	960	5:SP3_SP2_SP2	Se[5]	S[5]	N[5]	2:2:	3:2:	3:2:	N[5]-2:S[5]-2:	C[5,6]-3:Se[5]-2:	C[5,6]-3:Se[5]-2:	Se[5](N[5]C[5,6])(S[5]C[5,6])	S[5](C[5,6]C[5,6]C[6])(Se[5]N[5])	N[5](C[5,6]C[5,6]N[6])(Se[5]S[5])	Se[5](N[5]C[5,6])(S[5]C[5,6]){1|C<3>,1|N<3>}	S[5](C[5,6]C[5,6]C[6])(Se[5]N[5]){1|Br<1>,1|C<3>,1|N<3>}	N[5](C[5,6]C[5,6]N[6])(Se[5]S[5]){1|C<4>,2|C<3>}	94.1732	0.051	2	93.8732	0.077	11	93.8732	0.077	11	93.9087	1.209	17	93.9087	1.209	17	93.9087	1.209	17
997	891	960	5:SP3_SP2_SP2	Se[5]	S[5]	N[5]	2:2:	3:2:	3:2:	N[5]-2:S[5]-2:	C[5,6]-3:Se[5]-2:	C[5,6]-3:Se[5]-2:	Se[5](N[5]C[5,6])(S[5]C[5,6])	S[5](C[5,6]C[5,6]C[6])(Se[5]N[5])	N[5](C[5,6]C[5,6]N[6])(Se[5]S[5])	Se[5](N[5]C[5,6])(S[5]C[5,6]){1|C<3>,1|N<3>}	S[5](C[5,6]C[5,6]C[6])(Se[5]N[5]){1|C<3>,1|C<4>,1|N<3>}	N[5](C[5,6]C[5,6]N[6])(Se[5]S[5]){1|C<4>,2|C<3>}	93.7338	0.068	2	93.8732	0.077	11	93.8732	0.077	11	93.9087	1.209	17	93.9087	1.209	17	93.9087	1.209	17
997	891	960	5:SP3_SP2_SP2	Se[5]	S[5]	N[5]	2:2:	3:2:	3:2:	N[5]-2:S[5]-2:	C[5,6]-3:Se[5]-2:	C[5,6]-3:Se[5]-2:	Se[5](N[5]C[5,6])(S[5]C[5,6])	S[5](C[5,6]C[5,6]C[6])(Se[5]N[5])	N[5](C[5,6]C[5,6]N[6])(Se[5]S[5])	Se[5](N[5]C[5,6])(S[5]C[5,6]){1|C<3>,1|N<3>}	S[5](C[5,6]C[5,6]C[6])(Se[5]N[5]){1|Cl<1>,1|C<3>,1|N<3>}	N[5](C[5,6]C[5,6]N[6])(Se[5]S[5]){1|C<4>,2|C<3>}	93.8273	0.298	7	93.8732	0.077	11	93.8732	0.077	11	93.9087	1.209	17	93.9087	1.209	17	93.9087	1.209	17
997	891	960	5:SP3_SP2_SP2	Se[5]	S[5]	N[5]	2:2:	3:2:	3:2:	N[5]-2:S[5]-2:	C[5,6a]-3:Se[5]-2:	C[5,6a]-3:Se[5]-2:	Se[5](N[5]C[5,6a])(S[5]C[5,6a])	S[5](C[5,6a]C[5,6a]2)(Se[5]N[5])	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]S[5])	Se[5](N[5]C[5,6a])(S[5]C[5,6a]){2|C<3>}	S[5](C[5,6a]C[5,6a]2)(Se[5]N[5]){1|S<2>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]S[5]){1|H<1>,2|C<3>}	92.9139	0.175	3	92.9139	0.030	3	93.9739	3.705	6	93.9087	1.209	17	93.9087	1.209	17	93.9087	1.209	17
997	891	960	5:SP3_SP2_SP2	Se[5]	S[5]	N[5]	2:2:	3:2:	3:2:	N[5]-2:S[5]-2:	C[5,6a]-3:Se[5]-2:	C[5,6a]-3:Se[5]-2:	Se[5](N[5]C[5,6a])(S[5]C[5,6a])	S[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]S[5])	Se[5](N[5]C[5,6a])(S[5]C[5,6a]){2|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5]){1|Cl<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]S[5]){1|Cl<1>,2|C<3>}	95.1415	3.414	2	95.0340	5.862	3	93.9739	3.705	6	93.9087	1.209	17	93.9087	1.209	17	93.9087	1.209	17
997	891	960	5:SP3_SP2_SP2	Se[5]	S[5]	N[5]	2:2:	3:2:	3:2:	N[5]-2:S[5]-2:	C[5,6a]-3:Se[5]-2:	C[5,6a]-3:Se[5]-2:	Se[5](N[5]C[5,6a])(S[5]C[5,6a])	S[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]S[5])	Se[5](N[5]C[5,6a])(S[5]C[5,6a]){2|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5]){1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]S[5]){1|H<1>,2|C<3>}	94.8190	0.000	1	95.0340	5.862	3	93.9739	3.705	6	93.9087	1.209	17	93.9087	1.209	17	93.9087	1.209	17
997	955	955	5:SP3_SP3_SP3	Se[5]	P[5]	P[5]	4:4:	3:2:2:1:	3:3:2:1:	P[5]-4:P[5]-4:	C[6a]-3:Se[5]-2:N[5]-2:Se-1:	C[6a]-3:C[5]-3:Se[5]-2:Se-1:	Se[5](P[5]C[6a]C[5]Se)(P[5]C[6a]N[5]Se)	P[5](C[6a]C[6a]2)(Se[5]P[5])(N[5]C[5])(Se)	P[5](C[6a]C[6a]2)(C[5]N[5]N)(Se[5]P[5])(Se)	Se[5](P[5]C[6a]C[5]Se)(P[5]C[6a]N[5]Se){1|N<3>,4|C<3>}	P[5](C[6a]C[6a]2)(Se[5]P[5])(N[5]C[5])(Se){1|Se<1>,1|N<3>,2|H<1>,3|C<3>}	P[5](C[6a]C[6a]2)(C[5]N[5]N)(Se[5]P[5])(Se){1|Se<1>,2|H<1>,3|C<3>}	90.4614	0.751	2	90.4614	0.564	2	90.4614	0.564	2	90.4614	0.564	2	90.3520	0.318	3	90.3520	0.318	3
997	955	955	5:SP3_SP3_SP3	Se[5]	P[5]	P[5]	4:4:	3:3:4:2:	3:3:4:2:	P[5]-4:P[5]-4:	C[6a]-3:C[6a]-3:C[5]-4:Se[5]-2:	C[6a]-3:C[6a]-3:C[5]-4:Se[5]-2:	Se[5](P[5]C[6a]2C[5])2	P[5](C[6a]C[6a]2)2(C[5]C[5]HH)(Se[5]P[5])	P[5](C[6a]C[6a]2)2(C[5]C[5]HH)(Se[5]P[5])	Se[5](P[5]C[6a]2C[5])2{4|H<1>,8|C<3>}	P[5](C[6a]C[6a]2)2(C[5]C[5]HH)(Se[5]P[5]){6|C<3>,6|H<1>}	P[5](C[6a]C[6a]2)2(C[5]C[5]HH)(Se[5]P[5]){6|C<3>,6|H<1>}	90.1333	0.000	1	90.1333	0.000	1	90.1333	0.000	1	90.1333	0.000	1	90.3520	0.318	3	90.3520	0.318	3
997	955	997	5:SP3_SP3_SP3	Se[5]	P[5]	Se[5]	4:2:	2:2:4:4:	4:2:	P[5]-4:Se[5]-2:	Se[5]-2:N[5]-2:C-4:C-4:	P[5]-4:Se[5]-2:	Se[5](P[5]N[5]CC)(Se[5]P[5])	P[5](Se[5]Se[5])(N[5]P[5])(CCCH)2	Se[5](P[5]N[5]CC)(Se[5]P[5])	Se[5](P[5]N[5]CC)(Se[5]P[5]){2|C<4>}	P[5](Se[5]Se[5])(N[5]P[5])(CCCH)2{2|C<4>}	Se[5](P[5]N[5]CC)(Se[5]P[5]){2|C<4>}	93.2065	0.864	2	93.2065	0.747	2	93.2065	0.747	2	93.2065	0.747	2	94.1941	3.900	10	94.1941	3.900	10
997	955	997	5:SP3_SP3_SP3	Se[5]	P[5]	Se[5]	4:2:	3:3:2:1:	3:2:	P[5]-4:Se[5]-2:	C[5]-3:C[6a]-3:Se[5]-2:Se-1:	C[5]-3:Se[5]-2:	Se[5](P[5]C[6a]C[5]Se)(Se[5]C[5])	P[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(Se[5]Se[5])(Se)	Se[5](C[5]C[5]2)(Se[5]P[5])	Se[5](P[5]C[6a]C[5]Se)(Se[5]C[5]){4|C<3>}	P[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(Se[5]Se[5])(Se){2|H<1>,5|C<3>}	Se[5](C[5]C[5]2)(Se[5]P[5]){1|Se<1>,1|Se<2>,3|C<3>}	94.5485	0.398	2	94.5485	0.158	2	94.5485	0.158	2	94.5485	0.158	2	94.1941	3.900	10	94.1941	3.900	10
997	955	997	5:SP3_SP3_SP3	Se[5]	P[5]	Se[5]	4:2:	3:4:2:1:	4:2:	P[5]-4:Se[5]-2:	C[6a]-3:C[5]-4:Se[5]-2:Se-1:	P[5]-4:Se[5]-2:	Se[5](P[5]C[6a]C[5]Se)(Se[5]P[5])	P[5](C[6a]C[6a]2)(C[5]P[5]HH)(Se[5]Se[5])(Se)	Se[5](P[5]C[6a]C[5]Se)(Se[5]P[5])	Se[5](P[5]C[6a]C[5]Se)(Se[5]P[5]){1|Se<1>,2|H<1>,3|C<3>}	P[5](C[6a]C[6a]2)(C[5]P[5]HH)(Se[5]Se[5])(Se){1|Se<1>,2|H<1>,3|C<3>}	Se[5](P[5]C[6a]C[5]Se)(Se[5]P[5]){1|Se<1>,2|H<1>,3|C<3>}	92.6870	1.014	2	92.6870	1.029	2	92.6870	1.029	2	92.6870	1.029	2	94.1941	3.900	10	94.1941	3.900	10
997	955	997	5:SP3_SP3_SP3	Se[5]	P[5]	Se[5]	4:2:	4:2:4:1:	4:2:	P[5]-4:Se[5]-2:	C[5]-4:Se[5]-2:C-4:Se-1:	P[5]-4:Se[5]-2:	Se[5](P[5]C[5]SeC)(Se[5]P[5])	P[5](C[5]P[5]HH)(Se[5]Se[5])(CC3)(Se)	Se[5](P[5]C[5]SeC)(Se[5]P[5])	Se[5](P[5]C[5]SeC)(Se[5]P[5]){1|Se<1>,1|C<4>,2|H<1>}	P[5](C[5]P[5]HH)(Se[5]Se[5])(CC3)(Se){1|Se<1>,1|C<4>}	Se[5](P[5]C[5]SeC)(Se[5]P[5]){1|Se<1>,1|C<4>,2|H<1>}	97.0569	0.049	2	97.0569	0.002	2	97.0569	0.002	2	97.0569	0.002	2	94.1941	3.900	10	94.1941	3.900	10
997	955	997	5:SP3_SP3_SP3	Se[5]	P[5]	Se[5]	4:2:	4:2:4:4:	4:2:	P[5]-4:Se[5]-2:	C[5]-4:Se[5]-2:C-4:C-4:	P[5]-4:Se[5]-2:	Se[5](P[5]C[5]CC)(Se[5]P[5])	P[5](C[5]P[5]HH)(Se[5]Se[5])(CCCH)2	Se[5](P[5]C[5]CC)(Se[5]P[5])	Se[5](P[5]C[5]CC)(Se[5]P[5]){2|C<4>,2|H<1>}	P[5](C[5]P[5]HH)(Se[5]Se[5])(CCCH)2{2|C<4>}	Se[5](P[5]C[5]CC)(Se[5]P[5]){2|C<4>,2|H<1>}	93.4717	2.997	2	93.4717	8.982	2	93.4717	8.982	2	93.4717	8.982	2	94.1941	3.900	10	94.1941	3.900	10
997	960	960	5:SP3_SP2_SP2	Se[5]	N[5]	N[5]	2:2:	3:2:	3:2:	N[5]-2:N[5]-2:	C[5,6]-3:Se[5]-2:	C[5,6]-3:Se[5]-2:	Se[5](N[5]C[5,6])2	N[5](C[5,6]C[5,6]C[6])(Se[5]N[5])	N[5](C[5,6]C[5,6]N[6])(Se[5]N[5])	Se[5](N[5]C[5,6])2{1|C<3>,1|N<2>}	N[5](C[5,6]C[5,6]C[6])(Se[5]N[5]){1|O<1>,2|N<2>}	N[5](C[5,6]C[5,6]N[6])(Se[5]N[5]){2|C<3>}	93.2975	0.000	1	93.2975	0.000	1	93.2975	0.000	1	94.0089	0.974	24	94.0089	0.974	24	94.0089	0.974	24
997	960	960	5:SP3_SP2_SP2	Se[5]	N[5]	N[5]	2:2:	3:2:	3:2:	N[5]-2:N[5]-2:	C[5,6a]-3:Se[5]-2:	C[5,6a]-3:Se[5]-2:	Se[5](N[5]C[5,6a])2	N[5](C[5,6a]C[5,6a]C[6,6a])(Se[5]N[5])	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])	Se[5](N[5]C[5,6a])2{2|C<3>}	N[5](C[5,6a]C[5,6a]C[6,6a])(Se[5]N[5]){1|N<3>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5]){1|H<1>,2|C<3>}	93.0594	0.000	1	93.0594	0.000	1	94.0399	0.994	23	94.0089	0.974	24	94.0089	0.974	24	94.0089	0.974	24
997	960	960	5:SP3_SP2_SP2	Se[5]	N[5]	N[5]	2:2:	3:2:	3:2:	N[5]-2:N[5]-2:	C[5,6a]-3:Se[5]-2:	C[5,6a]-3:Se[5]-2:	Se[5](N[5]C[5,6a])2	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])	Se[5](N[5]C[5,6a])2{2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5]){1|C<2>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5]){1|C<2>,2|C<3>}	94.7439	0.503	3	94.0782	1.253	14	94.0399	0.994	23	94.0089	0.974	24	94.0089	0.974	24	94.0089	0.974	24
997	960	960	5:SP3_SP2_SP2	Se[5]	N[5]	N[5]	2:2:	3:2:	3:2:	N[5]-2:N[5]-2:	C[5,6a]-3:Se[5]-2:	C[5,6a]-3:Se[5]-2:	Se[5](N[5]C[5,6a])2	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])	Se[5](N[5]C[5,6a])2{2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5]){1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5]){1|H<1>,2|C<3>}	92.6135	1.678	3	94.0782	1.253	14	94.0399	0.994	23	94.0089	0.974	24	94.0089	0.974	24	94.0089	0.974	24
997	960	960	5:SP3_SP2_SP2	Se[5]	N[5]	N[5]	2:2:	3:2:	3:2:	N[5]-2:N[5]-2:	C[5,6a]-3:Se[5]-2:	C[5,6a]-3:Se[5]-2:	Se[5](N[5]C[5,6a])2	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])	Se[5](N[5]C[5,6a])2{2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5]){3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5]){3|C<3>}	94.3779	0.488	8	94.0782	1.253	14	94.0399	0.994	23	94.0089	0.974	24	94.0089	0.974	24	94.0089	0.974	24
997	960	960	5:SP3_SP2_SP2	Se[5]	N[5]	N[5]	2:2:	3:2:	3:2:	N[5]-2:N[5]-2:	C[5,6a]-3:Se[5]-2:	C[5,6a]-3:Se[5]-2:	Se[5](N[5]C[5,6a])2	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])	N[5](C[5,6a]C[5,6a]N[6a])(Se[5]N[5])	Se[5](N[5]C[5,6a])2{1|C<3>,1|N<2>}	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5]){1|C<3>,1|H<1>,1|N<2>}	N[5](C[5,6a]C[5,6a]N[6a])(Se[5]N[5]){2|C<3>}	94.0409	0.377	4	94.0409	0.142	4	94.0399	0.994	23	94.0089	0.974	24	94.0089	0.974	24	94.0089	0.974	24
997	960	960	5:SP3_SP2_SP2	Se[5]	N[5]	N[5]	2:2:	3:2:	3:2:	N[5]-2:N[5]-2:	C[5,6a]-3:Se[5]-2:	C[5,6a]-3:Se[5]-2:	Se[5](N[5]C[5,6a])2	N[5](C[5,6a]C[5,6a]N[6a])(Se[5]N[5])	N[5](C[5,6a]C[5,6a]N[6a])(Se[5]N[5])	Se[5](N[5]C[5,6a])2{2|N<2>}	N[5](C[5,6a]C[5,6a]N[6a])(Se[5]N[5]){1|C<3>,1|N<2>}	N[5](C[5,6a]C[5,6a]N[6a])(Se[5]N[5]){1|C<3>,1|N<2>}	95.8052	0.000	1	95.8052	0.000	1	94.0399	0.994	23	94.0089	0.974	24	94.0089	0.974	24	94.0089	0.974	24
997	960	960	5:SP3_SP2_SP2	Se[5]	N[5]	N[5]	2:2:	3:2:	3:2:	N[5]-2:N[5]-2:	C[5,6a]-3:Se[5]-2:	C[5,6a]-3:Se[5]-2:	Se[5](N[5]C[5,6a])2	N[5](C[5,6a]C[5a,6a]C[5,6a])(Se[5]N[5])	N[5](C[5,6a]C[5a,6a]C[5,6a])(Se[5]N[5])	Se[5](N[5]C[5,6a])2{2|C<3>}	N[5](C[5,6a]C[5a,6a]C[5,6a])(Se[5]N[5]){3|C<3>}	N[5](C[5,6a]C[5a,6a]C[5,6a])(Se[5]N[5]){3|C<3>}	93.8075	0.000	1	93.8075	0.000	1	94.0399	0.994	23	94.0089	0.974	24	94.0089	0.974	24	94.0089	0.974	24
997	960	960	5:SP3_SP2_SP2	Se[5]	N[5]	N[5]	2:2:	3:2:	3:2:	N[5]-2:N[5]-2:	C[5,6a]-3:Se[5]-2:	C[5,6a]-3:Se[5]-2:	Se[5](N[5]C[5,6a])2	N[5](C[5,6a]C[6a,6a]C[5,6a])(Se[5]N[5])	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])	Se[5](N[5]C[5,6a])2{2|C<3>}	N[5](C[5,6a]C[6a,6a]C[5,6a])(Se[5]N[5]){3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5]){3|C<3>}	93.9420	0.000	1	93.9420	0.000	1	94.0399	0.994	23	94.0089	0.974	24	94.0089	0.974	24	94.0089	0.974	24
997	960	960	5:SP3_SP2_SP2	Se[5]	N[5]	N[5]	2:2:	3:2:	3:2:	N[5]-2:N[5]-2:	C[5,6a]-3:Se[5]-2:	C[5,6a]-3:Se[5]-2:	Se[5](N[5]C[5,6a])2	N[5](C[5,6a]C[6a,6a]C[5,6a])(Se[5]N[5])	N[5](C[5,6a]C[6a,6a]C[5,6a])(Se[5]N[5])	Se[5](N[5]C[5,6a])2{2|C<3>}	N[5](C[5,6a]C[6a,6a]C[5,6a])(Se[5]N[5]){3|C<3>}	N[5](C[5,6a]C[6a,6a]C[5,6a])(Se[5]N[5]){3|C<3>}	93.0438	0.000	1	93.0438	0.000	1	94.0399	0.994	23	94.0089	0.974	24	94.0089	0.974	24	94.0089	0.974	24
997	960	997	5:SP3_SP2_SP3	Se[5]	N[5]	Se[5]	2:2:	2:2:	2:2:	Se[5]-2:N[5]-2:	Se[5]-2:S[5]-2:	Se[5]-2:N[5]-2:	Se[5](Se[5]N[5])(N[5]S[5])	N[5](Se[5]Se[5])(S[5]N[5])	Se[5](Se[5]N[5])(N[5]S[5])	Se[5](Se[5]N[5])(N[5]S[5])	N[5](Se[5]Se[5])(S[5]N[5])	Se[5](Se[5]N[5])(N[5]S[5])	94.1710	0.321	2	94.1710	0.103	2	94.1710	0.103	2	94.1710	0.103	2	92.1281	2.567	51	92.1281	2.567	51
997	960	997	5:SP3_SP2_SP3	Se[5]	N[5]	Se[5]	2:2:	2:3:	2:2:	Se[5]-2:N[5]-2:	Se[5]-2:C[5]-3:	Se[5]-2:N[5]-2:	Se[5](Se[5]N[5])(N[5]C[5])	N[5](Se[5]Se[5])(C[5]N[5]C)	Se[5](Se[5]N[5])(N[5]C[5])	Se[5](Se[5]N[5])(N[5]C[5]){1|C<4>}	N[5](Se[5]Se[5])(C[5]N[5]C)	Se[5](Se[5]N[5])(N[5]C[5]){1|C<4>}	91.4041	0.972	7	91.4041	0.946	7	91.4041	0.946	7	91.4041	0.946	7	92.1281	2.567	51	92.1281	2.567	51
997	960	997	5:SP3_SP2_SP3	Se[5]	N[5]	Se[5]	2:2:	3:2:	2:2:	Se[5]-2:N[5]-2:	C[5]-3:Se[5]-2:	Se[5]-2:N[5]-2:	Se[5](Se[5]N[5])(N[5]C[5])	N[5](C[5]C[5a]N[5])(Se[5]Se[5])	Se[5](Se[5]N[5])(N[5]C[5])	Se[5](Se[5]N[5])(N[5]C[5]){1|C<3>}	N[5](C[5]C[5a]N[5])(Se[5]Se[5]){1|C<3>,1|O<2>}	Se[5](Se[5]N[5])(N[5]C[5]){1|C<3>}	91.2485	0.469	16	91.2485	0.220	16	91.1973	0.434	30	91.1973	0.434	30	92.1281	2.567	51	92.1281	2.567	51
997	960	997	5:SP3_SP2_SP3	Se[5]	N[5]	Se[5]	2:2:	3:2:	2:2:	Se[5]-2:N[5]-2:	C[5]-3:Se[5]-2:	Se[5]-2:N[5]-2:	Se[5](Se[5]N[5])(N[5]C[5])	N[5](C[5]C[6a]N[5])(Se[5]Se[5])	Se[5](Se[5]N[5])(N[5]C[5])	Se[5](Se[5]N[5])(N[5]C[5]){1|C<3>}	N[5](C[5]C[6a]N[5])(Se[5]Se[5]){2|C<3>}	Se[5](Se[5]N[5])(N[5]C[5]){1|C<3>}	91.2337	0.870	12	91.1388	0.709	14	91.1973	0.434	30	91.1973	0.434	30	92.1281	2.567	51	92.1281	2.567	51
997	960	997	5:SP3_SP2_SP3	Se[5]	N[5]	Se[5]	2:2:	3:2:	2:2:	Se[5]-2:N[5]-2:	C[5]-3:Se[5]-2:	Se[5]-2:N[5]-2:	Se[5](Se[5]N[5])(N[5]C[5])	N[5](C[5]C[6a]N[5])(Se[5]Se[5])	Se[5](Se[5]N[5])(N[5]C[5])	Se[5](Se[5]N[5])(N[5]C[5]){1|C<3>}	N[5](C[5]C[6a]N[5])(Se[5]Se[5]){2|N<2>}	Se[5](Se[5]N[5])(N[5]C[5]){1|C<3>}	90.5691	0.371	2	91.1388	0.709	14	91.1973	0.434	30	91.1973	0.434	30	92.1281	2.567	51	92.1281	2.567	51
997	960	997	5:SP3_SP2_SP3	Se[5]	N[5]	Se[5]	2:2:	3:2:	3:2:	Se[5]-2:N[5]-2:	C[5,6]-3:Se[5]-2:	C[5,6]-3:Se[5]-2:	Se[5](Se[5]C[5,6])(N[5]C[5,6])	N[5](C[5,6]C[5,6]N[6])(Se[5]Se[5])	Se[5](C[5,6]C[5,6]C[6])(Se[5]N[5])	Se[5](Se[5]C[5,6])(N[5]C[5,6]){1|C<3>,1|N<3>}	N[5](C[5,6]C[5,6]N[6])(Se[5]Se[5]){1|C<4>,2|C<3>}	Se[5](C[5,6]C[5,6]C[6])(Se[5]N[5]){1|Br<1>,1|C<3>,1|N<3>}	94.6314	0.000	1	94.4776	0.084	10	94.4776	0.084	10	94.5369	0.214	12	92.1281	2.567	51	92.1281	2.567	51
997	960	997	5:SP3_SP2_SP3	Se[5]	N[5]	Se[5]	2:2:	3:2:	3:2:	Se[5]-2:N[5]-2:	C[5,6]-3:Se[5]-2:	C[5,6]-3:Se[5]-2:	Se[5](Se[5]C[5,6])(N[5]C[5,6])	N[5](C[5,6]C[5,6]N[6])(Se[5]Se[5])	Se[5](C[5,6]C[5,6]C[6])(Se[5]N[5])	Se[5](Se[5]C[5,6])(N[5]C[5,6]){1|C<3>,1|N<3>}	N[5](C[5,6]C[5,6]N[6])(Se[5]Se[5]){1|C<4>,2|C<3>}	Se[5](C[5,6]C[5,6]C[6])(Se[5]N[5]){1|C<3>,1|H<1>,1|N<3>}	94.2995	0.137	4	94.4776	0.084	10	94.4776	0.084	10	94.5369	0.214	12	92.1281	2.567	51	92.1281	2.567	51
997	960	997	5:SP3_SP2_SP3	Se[5]	N[5]	Se[5]	2:2:	3:2:	3:2:	Se[5]-2:N[5]-2:	C[5,6]-3:Se[5]-2:	C[5,6]-3:Se[5]-2:	Se[5](Se[5]C[5,6])(N[5]C[5,6])	N[5](C[5,6]C[5,6]N[6])(Se[5]Se[5])	Se[5](C[5,6]C[5,6]C[6])(Se[5]N[5])	Se[5](Se[5]C[5,6])(N[5]C[5,6]){1|C<3>,1|N<3>}	N[5](C[5,6]C[5,6]N[6])(Se[5]Se[5]){1|C<4>,2|C<3>}	Se[5](C[5,6]C[5,6]C[6])(Se[5]N[5]){1|C<3>,1|I<1>,1|N<3>}	94.6772	0.000	1	94.4776	0.084	10	94.4776	0.084	10	94.5369	0.214	12	92.1281	2.567	51	92.1281	2.567	51
997	960	997	5:SP3_SP2_SP3	Se[5]	N[5]	Se[5]	2:2:	3:2:	3:2:	Se[5]-2:N[5]-2:	C[5,6]-3:Se[5]-2:	C[5,6]-3:Se[5]-2:	Se[5](Se[5]C[5,6])(N[5]C[5,6])	N[5](C[5,6]C[5,6]N[6])(Se[5]Se[5])	Se[5](C[5,6]C[5,6]C[6])(Se[5]N[5])	Se[5](Se[5]C[5,6])(N[5]C[5,6]){1|C<3>,1|N<3>}	N[5](C[5,6]C[5,6]N[6])(Se[5]Se[5]){1|C<4>,2|C<3>}	Se[5](C[5,6]C[5,6]C[6])(Se[5]N[5]){1|Cl<1>,1|C<3>,1|N<3>}	94.5674	0.399	4	94.4776	0.084	10	94.4776	0.084	10	94.5369	0.214	12	92.1281	2.567	51	92.1281	2.567	51
997	960	997	5:SP3_SP2_SP3	Se[5]	N[5]	Se[5]	2:2:	3:2:	3:2:	Se[5]-2:N[5]-2:	C[5,6a]-3:Se[5]-2:	C[5,6a]-3:Se[5]-2:	Se[5](Se[5]C[5,6a])(N[5]C[5,6a])	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]Se[5])	Se[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])	Se[5](Se[5]C[5,6a])(N[5]C[5,6a]){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]Se[5]){1|H<1>,2|C<3>}	Se[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5]){1|H<1>,2|C<3>}	95.6662	0.000	1	95.6662	0.000	1	94.8332	1.388	2	94.5369	0.214	12	92.1281	2.567	51	92.1281	2.567	51
997	960	997	5:SP3_SP2_SP3	Se[5]	N[5]	Se[5]	2:2:	3:2:	3:2:	Se[5]-2:N[5]-2:	C[5,6a]-3:Se[5]-2:	C[5,6a]-3:Se[5]-2:	Se[5](Se[5]C[5,6a])(N[5]C[5,6a])	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]Se[5])	Se[5](C[5,6a]C[6a,6a]C[5,6a])(Se[5]N[5])	Se[5](Se[5]C[5,6a])(N[5]C[5,6a]){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]Se[5]){1|H<1>,2|C<3>}	Se[5](C[5,6a]C[6a,6a]C[5,6a])(Se[5]N[5]){3|C<3>}	94.0002	0.000	1	94.0002	0.000	1	94.8332	1.388	2	94.5369	0.214	12	92.1281	2.567	51	92.1281	2.567	51
998	466	466	6:SP3_SP3_SP3	N[5a,6]	C[6]	C[6]	3:4:4:2:	4:4:1:1:	4:4:1:1:	C[5a,6a]-3:C[6]-4:C[6]-4:N[5a]-2:	N[5a,6]-4:C[6]-4:H-1:H-1:	N[5a,6]-4:C[6]-4:H-1:H-1:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HH)2(N[5a]C[5a])	C[6](N[5a,6]C[5a,6a]N[5a]C[6])(C[6]C[6]HH)(H)2	C[6](N[5a,6]C[5a,6a]N[5a]C[6])(C[6]C[6]HH)(H)2	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HH)2(N[5a]C[5a]){2|C<3>,2|C<4>,5|H<1>}	C[6](N[5a,6]C[5a,6a]N[5a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](N[5a,6]C[5a,6a]N[5a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,4|H<1>}	111.5980	0.000	1	111.5980	0.000	1	111.5980	0.000	1	111.5980	0.000	1	111.5980	0.000	1	111.5980	0.000	1
998	466	519	0:SP3_SP2_SP3	N[5a,6]	C[6]	N[5a]	3:4:4:2:	4:4:1:1:	4:3:	C[5a,6a]-3:C[6]-4:C[6]-4:N[5a]-2:	N[5a,6]-4:C[6]-4:H-1:H-1:	N[5a,6]-4:C[5a]-3:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HH)2(N[5a]C[5a])	C[6](N[5a,6]C[5a,6a]N[5a]C[6])(C[6]C[6]HH)(H)2	N[5a](N[5a,6]C[5a,6a]C[6]2)(C[5a]C[5a,6a]C)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HH)2(N[5a]C[5a]){2|C<3>,2|C<4>,5|H<1>}	C[6](N[5a,6]C[5a,6a]N[5a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,4|H<1>}	N[5a](N[5a,6]C[5a,6a]C[6]2)(C[5a]C[5a,6a]C){2|C<3>,2|C<4>,4|H<1>}	108.1235	0.829	2	108.1235	0.688	2	108.1235	0.688	2	108.1235	0.688	2	108.1235	0.688	2	108.1235	0.688	2
998	466	727	0:SP3_SP2_SP3	N[5a,6]	C[6]	C[5a,6a]	3:4:4:2:	4:4:1:1:	3:4:3:	C[5a,6a]-3:C[6]-4:C[6]-4:N[5a]-2:	N[5a,6]-4:C[6]-4:H-1:H-1:	C[5a,6a]-3:N[5a,6]-4:C[6a]-3:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HH)2(N[5a]C[5a])	C[6](N[5a,6]C[5a,6a]N[5a]C[6])(C[6]C[6]HH)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]N[5a]C[6]2)(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HH)2(N[5a]C[5a]){2|C<3>,2|C<4>,5|H<1>}	C[6](N[5a,6]C[5a,6a]N[5a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]N[5a]C[6]2)(C[6a]C[6a]H){1|C<3>,3|C<4>,6|H<1>}	111.2385	0.098	2	111.2385	0.010	2	111.2385	0.010	2	111.2385	0.010	2	111.2385	0.010	2	111.2385	0.010	2
998	490	490	0:SP3_SP3_SP3	N[5a]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	C[5a]-3:N[5a]-2:C-4:C-4:	N[5a]-4:H-1:H-1:H-1:	N[5a]-4:H-1:H-1:H-1:	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(CH3)2	C(N[5a]C[5a]N[5a]C)(H)3	C(N[5a]C[5a]N[5a]C)(H)3	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(CH3)2{1|C<3>,1|N<2>}	C(N[5a]C[5a]N[5a]C)(H)3	C(N[5a]C[5a]N[5a]C)(H)3	109.8520	0.000	1	109.8520	0.000	1	109.8520	0.000	1	109.8520	0.000	1	109.2345	0.763	2	109.2345	0.763	2
998	490	490	0:SP3_SP3_SP3	N[5a]	C	C	3:2:4:4:	4:4:1:1:	4:4:1:1:	C[5a,6a]-3:N[5a]-2:C-4:C-4:	N[5a]-4:C-4:H-1:H-1:	N[5a]-4:C-4:H-1:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH)2	C(N[5a]C[5a,6a]N[5a]C)(CH3)(H)2	C(N[5a]C[5a,6a]N[5a]C)(CH3)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH)2{1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a]C)(CH3)(H)2	C(N[5a]C[5a,6a]N[5a]C)(CH3)(H)2	108.6170	0.000	1	108.6170	0.000	1	108.6170	0.000	1	108.6170	0.000	1	109.2345	0.763	2	109.2345	0.763	2
998	490	519	0:SP3_SP2_SP3	N[5a]	C	N[5a]	3:2:4:4:	4:1:1:1:	4:3:	C[5a]-3:N[5a]-2:C-4:C-4:	N[5a]-4:H-1:H-1:H-1:	N[5a]-4:C[5a]-3:	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(CH3)2	C(N[5a]C[5a]N[5a]C)(H)3	N[5a](N[5a]C[5a]CC)(C[5a]N[5a]N)	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(CH3)2{1|C<3>,1|N<2>}	C(N[5a]C[5a]N[5a]C)(H)3	N[5a](N[5a]C[5a]CC)(C[5a]N[5a]N){1|C<3>,1|O<1>}	110.1260	0.127	2	110.1260	0.016	2	110.1260	0.016	2	110.1260	0.016	2	109.0722	1.966	4	109.0722	1.966	4
998	490	519	0:SP3_SP2_SP3	N[5a]	C	N[5a]	3:2:4:4:	4:4:1:1:	4:3:	C[5a,6a]-3:N[5a]-2:C-4:C-4:	N[5a]-4:C-4:H-1:H-1:	N[5a]-4:C[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH)2	C(N[5a]C[5a,6a]N[5a]C)(CH3)(H)2	N[5a](N[5a]C[5a,6a]CC)(C[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH)2{1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a]C)(CH3)(H)2	N[5a](N[5a]C[5a,6a]CC)(C[5a]C[5a,6a]C){2|C<3>}	108.0185	1.200	2	108.0185	1.440	2	108.0185	1.440	2	108.0185	1.440	2	109.0722	1.966	4	109.0722	1.966	4
998	490	679	0:SP3_SP3_SP3	N[5a]	C	B[5a]	4:4:4:1:	4:1:1:1:	3:3:4:3:	B[5a]-4:B[5a]-4:C-4:H-1:	N[5a]-4:H-1:H-1:H-1:	N[5,5a]-3:N[5a]-3:N[5a]-4:C[6a]-3:	N[5a](B[5a]N[5,5a]C[6a]N[5a])2(CH3)(H)	C(N[5a]B[5a]2H)(H)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)	N[5a](B[5a]N[5,5a]C[6a]N[5a])2(CH3)(H){2|N<2>,8|C<3>}	C(N[5a]B[5a]2H)(H)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){1|N<3>,4|H<1>,7|C<3>}	116.0245	0.711	2	116.0245	0.505	2	116.0245	0.505	2	116.0245	0.505	2	115.0833	1.350	4	115.0833	1.350	4
998	490	679	0:SP3_SP3_SP3	N[5a]	C	B[5a]	4:4:4:1:	4:1:1:1:	3:4:3:3:	B[5a]-4:B[5a]-4:C-4:H-1:	N[5a]-4:H-1:H-1:H-1:	N[5,5a]-3:N[5a]-4:N[5]-3:C[6a]-3:	N[5a](B[5a]N[5,5a]C[6a]N[5])2(CH3)(H)	C(N[5a]B[5a]2H)(H)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[5a](B[5a]N[5,5a]C[6a]N[5])2(CH3)(H){2|N<3>,8|C<3>}	C(N[5a]B[5a]2H)(H)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){1|Co<4>,1|N<3>,4|H<1>,7|C<3>}	114.1420	0.027	2	114.1420	0.001	2	114.1420	0.001	2	114.1420	0.001	2	115.0833	1.350	4	115.0833	1.350	4
998	490	727	0:SP3_SP2_SP3	N[5a]	C	C[5a,6a]	3:2:4:4:	4:4:1:1:	3:4:3:	C[5a,6a]-3:N[5a]-2:C-4:C-4:	N[5a]-4:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-4:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH)2	C(N[5a]C[5a,6a]N[5a]C)(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]CC)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH)2{1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a]C)(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]CC)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	112.9410	0.646	2	112.9410	0.418	2	112.9410	0.418	2	112.9410	0.418	2	112.9410	0.418	2	111.3028	4.104	4
998	490	727	0:SP3_SP2_SP3	N[5a]	C	C[5a]	3:2:4:4:	4:1:1:1:	3:4:1:	C[5a]-3:N[5a]-2:C-4:C-4:	N[5a]-4:H-1:H-1:H-1:	N[5a]-3:N[5a]-4:O-1:	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(CH3)2	C(N[5a]C[5a]N[5a]C)(H)3	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]CC)(O)	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(CH3)2{1|C<3>,1|N<2>}	C(N[5a]C[5a]N[5a]C)(H)3	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]CC)(O){1|N<2>,2|C<3>}	109.6645	1.077	2	109.6645	1.160	2	109.6645	1.160	2	109.6645	1.160	2	109.6645	1.160	2	111.3028	4.104	4
998	490	951	0:SP3_SP-NON_SP3	N[5,6,6,6a,6a]	C	H	4:4:4:1:	4:4:4:4:	4:	B[3,5,6,6,6a,6a]-4:B[3,5,6,6,6a,6a]-4:C-4:H-1:	N[5,6,6,6a,6a]-4:C-4:C-4:C-4:	N[5,6,6,6a,6a]-4:	N[5,6,6,6a,6a](B[3,5,6,6,6a,6a]B[4x3,5,5,6,6,6a,6a]C[3x3,5,5,6,6]H)2(CC3)(H)	C(N[5,6,6,6a,6a]B[3,5,6,6,6a,6a]2H)(CH3)3	H(N[5,6,6,6a,6a]B[3,5,6,6,6a,6a]2C)	N[5,6,6,6a,6a](B[3,5,6,6,6a,6a]B[4x3,5,5,6,6,6a,6a]C[3x3,5,5,6,6]H)2(CC3)(H){2|B<5>,2|B<6>,4|H<1>}	C(N[5,6,6,6a,6a]B[3,5,6,6,6a,6a]2H)(CH3)3	H(N[5,6,6,6a,6a]B[3,5,6,6,6a,6a]2C)	102.9190	0.000	1	102.9190	0.000	1	102.9190	0.000	1	102.9190	0.000	1	102.9190	0.000	1	103.6310	12.827	3
998	490	951	0:SP3_SP-NON_SP3	N[5a]	C	H	4:4:4:1:	4:1:1:1:	4:	B[5a]-4:B[5a]-4:C-4:H-1:	N[5a]-4:H-1:H-1:H-1:	N[5a]-4:	N[5a](B[5a]N[5,5a]C[6a]N[5])2(CH3)(H)	C(N[5a]B[5a]2H)(H)3	H(N[5a]B[5a]2C)	N[5a](B[5a]N[5,5a]C[6a]N[5])2(CH3)(H){2|N<3>,8|C<3>}	C(N[5a]B[5a]2H)(H)3	H(N[5a]B[5a]2C)	100.4590	0.000	1	100.4590	0.000	1	103.9870	24.894	2	103.9870	24.894	2	103.9870	24.894	2	103.6310	12.827	3
998	490	951	0:SP3_SP-NON_SP3	N[5a]	C	H	4:4:4:1:	4:1:1:1:	4:	B[5a]-4:B[5a]-4:C-4:H-1:	N[5a]-4:H-1:H-1:H-1:	N[5a]-4:	N[5a](B[5a]N[5,5a]C[6a]N[5a])2(CH3)(H)	C(N[5a]B[5a]2H)(H)3	H(N[5a]B[5a]2C)	N[5a](B[5a]N[5,5a]C[6a]N[5a])2(CH3)(H){2|N<2>,8|C<3>}	C(N[5a]B[5a]2H)(H)3	H(N[5a]B[5a]2C)	107.5150	0.000	1	107.5150	0.000	1	103.9870	24.894	2	103.9870	24.894	2	103.9870	24.894	2	103.6310	12.827	3
998	490	981	0:SP3_SP3_SP3	N[5,6,6,6a,6a]	C	B[3,5,6,6,6a,6a]	4:4:4:1:	4:4:4:4:	6:5:4:1:	B[3,5,6,6,6a,6a]-4:B[3,5,6,6,6a,6a]-4:C-4:H-1:	N[5,6,6,6a,6a]-4:C-4:C-4:C-4:	B[4x3,5,5,6,6,6a,6a]-6:C[3x3,5,5,6,6]-5:N[5,6,6,6a,6a]-4:H-1:	N[5,6,6,6a,6a](B[3,5,6,6,6a,6a]B[4x3,5,5,6,6,6a,6a]C[3x3,5,5,6,6]H)2(CC3)(H)	C(N[5,6,6,6a,6a]B[3,5,6,6,6a,6a]2H)(CH3)3	B[3,5,6,6,6a,6a](B[4x3,5,5,6,6,6a,6a]B[5x3,5,6,6,6a]C[3x3,5,5,6,6]B[5x3,5,6a]B[3x3,5,6]H)(C[3x3,5,5,6,6]B[4x3,5,5,6,6,6a,6a]B[5x3,5,6,6,6a]C[3x3,5,5,6,6]H)(N[5,6,6,6a,6a]B[3,5,6,6,6a,6a]CH)(H)	N[5,6,6,6a,6a](B[3,5,6,6,6a,6a]B[4x3,5,5,6,6,6a,6a]C[3x3,5,5,6,6]H)2(CC3)(H){2|B<5>,2|B<6>,4|H<1>}	C(N[5,6,6,6a,6a]B[3,5,6,6,6a,6a]2H)(CH3)3	B[3,5,6,6,6a,6a](B[4x3,5,5,6,6,6a,6a]B[5x3,5,6,6,6a]C[3x3,5,5,6,6]B[5x3,5,6a]B[3x3,5,6]H)(C[3x3,5,5,6,6]B[4x3,5,5,6,6,6a,6a]B[5x3,5,6,6,6a]C[3x3,5,5,6,6]H)(N[5,6,6,6a,6a]B[3,5,6,6,6a,6a]CH)(H){1|B<5>,1|B<6>,1|H<2>,5|H<1>}	115.8715	1.515	2	115.8715	2.296	2	115.8715	2.296	2	115.8715	2.296	2	115.8715	2.296	2	115.8715	2.296	2
998	519	679	5:SP3_SP2_SP3	N[5a]	N[5a]	B[5a]	4:2:1:1:	3:4:	4:3:3:2:	B[5a]-4:N[5a]-2:H-1:H-1:	C[5a]-3:N[5a]-4:	N[5a]-4:C[6a]-3:C[6a]-3:O[5a]-2:	N[5a](B[5a]C[6a]2O[5a])(N[5a]C[5a])(H)2	N[5a](C[5a]C[6a]O[5a])(N[5a]B[5a]HH)	B[5a](N[5a]N[5a]HH)(C[6a]C[6a]2)2(O[5a]C[5a])	N[5a](B[5a]C[6a]2O[5a])(N[5a]C[5a])(H)2{5|C<3>}	N[5a](C[5a]C[6a]O[5a])(N[5a]B[5a]HH){4|C<3>}	B[5a](N[5a]N[5a]HH)(C[6a]C[6a]2)2(O[5a]C[5a]){4|F<1>,5|C<3>}	106.9320	0.318	2	106.9320	0.101	2	106.9320	0.101	2	106.9320	0.101	2	106.9320	0.101	2	106.9320	0.101	2
998	519	727	5:SP3_SP2_SP2	N[5a,6]	N[5a]	C[5a,6a]	3:4:4:2:	4:3:	3:4:3:	C[5a,6a]-3:C[6]-4:C[6]-4:N[5a]-2:	N[5a,6]-4:C[5a]-3:	C[5a,6a]-3:N[5a,6]-4:C[6a]-3:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HH)2(N[5a]C[5a])	N[5a](N[5a,6]C[5a,6a]C[6]2)(C[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]N[5a]C[6]2)(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HH)2(N[5a]C[5a]){2|C<3>,2|C<4>,5|H<1>}	N[5a](N[5a,6]C[5a,6a]C[6]2)(C[5a]C[5a,6a]C){2|C<3>,2|C<4>,4|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]N[5a]C[6]2)(C[6a]C[6a]H){1|C<3>,3|C<4>,6|H<1>}	106.2710	0.000	1	106.2710	0.000	1	106.2710	0.000	1	106.2710	0.000	1	106.2710	0.000	1	106.5623	0.501	3
998	519	727	5:SP3_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:4:4:	4:3:	3:4:3:	C[5a,6a]-3:N[5a]-2:C-4:C-4:	N[5a]-4:C[5a]-3:	C[5a,6a]-3:N[5a]-4:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH)2	N[5a](N[5a]C[5a,6a]CC)(C[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]CC)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH)2{1|C<4>,1|H<1>,2|C<3>}	N[5a](N[5a]C[5a,6a]CC)(C[5a]C[5a,6a]C){2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]CC)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	106.0470	0.000	1	106.0470	0.000	1	106.0470	0.000	1	106.0470	0.000	1	106.0470	0.000	1	106.5623	0.501	3
998	519	727	5:SP3_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:4:	4:3:	3:4:1:	C[5a]-3:N[5a]-2:C-4:C-4:	N[5a]-4:C[5a]-3:	N[5a]-3:N[5a]-4:O-1:	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(CH3)2	N[5a](N[5a]C[5a]CC)(C[5a]N[5a]N)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]CC)(O)	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(CH3)2{1|C<3>,1|N<2>}	N[5a](N[5a]C[5a]CC)(C[5a]N[5a]N){1|C<3>,1|O<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]CC)(O){1|N<2>,2|C<3>}	107.3690	0.000	1	107.3690	0.000	1	107.3690	0.000	1	107.3690	0.000	1	107.3690	0.000	1	106.5623	0.501	3
998	519	951	0:SP3_SP-NON_SP2	N[5a]	N[5a]	H	4:2:1:1:	3:4:	4:	B[5a]-4:N[5a]-2:H-1:H-1:	C[5a]-3:N[5a]-4:	N[5a]-4:	N[5a](B[5a]C[6a]2O[5a])(N[5a]C[5a])(H)2	N[5a](C[5a]C[6a]O[5a])(N[5a]B[5a]HH)	H(N[5a]B[5a]N[5a]H)	N[5a](B[5a]C[6a]2O[5a])(N[5a]C[5a])(H)2{5|C<3>}	N[5a](C[5a]C[6a]O[5a])(N[5a]B[5a]HH){4|C<3>}	H(N[5a]B[5a]N[5a]H)	107.4438	0.748	4	107.4438	0.559	4	107.4438	0.559	4	107.4438	0.559	4	107.4438	0.559	4	107.4438	0.559	4
998	643	643	0:SP3_SP2_SP2	N[5a]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:C[6a]-3:	N[5a]-4:C[6a]-3:C[6a]-3:	N[5a]-4:C[6a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)2	C[6a](N[5a]C[5a,6a]2C[6a])(C[6a]C[6a]H)2	C[6a](N[5a]C[5a,6a]2C[6a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)2{6|H<1>,8|C<3>}	C[6a](N[5a]C[5a,6a]2C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[6a](N[5a]C[5a,6a]2C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	113.9618	0.935	5	113.9618	0.874	5	113.9618	0.874	5	113.9618	0.874	5	113.9618	0.874	5	113.9618	0.874	5
998	643	679	0:SP3_SP2_SP3	N[5a]	C[6a]	B[5,5a]	4:3:3:1:	4:3:3:	3:4:2:2:	B[5,5a]-4:C[5a]-3:C[6a]-3:H-1:	N[5a]-4:C[6a]-3:C[6a]-3:	N[5a,6a]-3:N[5a]-4:O[5]-2:O[5]-2:	N[5a](B[5,5a]N[5a,6a]O[5]2)(C[5a]C[5a,6a]B)(C[6a]C[6a]2)(H)	C[6a](N[5a]B[5,5a]C[5a]H)(C[6a]C[6a]C)2	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](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>}	C[6a](N[5a]B[5,5a]C[5a]H)(C[6a]C[6a]C)2{1|B<3>,1|N<3>,2|C<3>,2|H<1>,2|O<2>}	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>}	118.7630	0.000	1	118.7630	0.000	1	118.7630	0.000	1	118.7630	0.000	1	118.7630	0.000	1	119.7390	1.905	2
998	643	679	0:SP3_SP2_SP3	N[5a]	C[6a]	B[5a]	3:4:3:1:	4:3:3:	4:2:3:3:	C[5a,6a]-3:B[5a]-4:C[6a]-3:H-1:	N[5a]-4:C[6a]-3:C[6a]-3:	N[5a]-4:O[5a]-2:C[6a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(B[5a]C[6a]2O[5a])(C[6a]C[6a]2)(H)	C[6a](N[5a]C[5a,6a]B[5a]H)(C[6a]C[6a]C)2	B[5a](N[5a]C[5a,6a]C[6a]H)(O[5a]C[5a,6a])(C[6a]C[6a]2)2	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>}	C[6a](N[5a]C[5a,6a]B[5a]H)(C[6a]C[6a]C)2{1|O<2>,2|H<1>,5|C<3>}	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>}	120.7150	0.000	1	120.7150	0.000	1	120.7150	0.000	1	120.7150	0.000	1	120.7150	0.000	1	119.7390	1.905	2
998	643	727	0:SP3_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:3:	4:3:3:	3:4:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:C[6a]-3:	N[5a]-4:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-4:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)2	C[6a](N[5a]C[5a,6a]2C[6a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)2{6|H<1>,8|C<3>}	C[6a](N[5a]C[5a,6a]2C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	110.1088	2.961	19	110.1088	8.769	19	110.1088	8.769	19	110.1088	8.769	19	110.4467	10.590	20	110.6480	10.912	21
998	643	727	0:SP3_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:4:3:1:	4:3:3:	3:3:4:	C[5a,6a]-3:B[5a]-4:C[6a]-3:H-1:	N[5a]-4:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-4:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(B[5a]C[6a]2O[5a])(C[6a]C[6a]2)(H)	C[6a](N[5a]C[5a,6a]B[5a]H)(C[6a]C[6a]C)2	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]B[5a]C[6a]H)	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>}	C[6a](N[5a]C[5a,6a]B[5a]H)(C[6a]C[6a]C)2{1|O<2>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]B[5a]C[6a]H){1|H<1>,8|C<3>}	116.8660	0.000	1	116.8660	0.000	1	116.8660	0.000	1	116.8660	0.000	1	110.4467	10.590	20	110.6480	10.912	21
998	643	727	0:SP3_SP2_SP2	N[5a]	C[6a]	C[5a]	4:3:3:1:	4:3:3:	3:4:3:	B[5,5a]-4:C[5a]-3:C[6a]-3:H-1:	N[5a]-4:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-4:B-3:	N[5a](B[5,5a]N[5a,6a]O[5]2)(C[5a]C[5a,6a]B)(C[6a]C[6a]2)(H)	C[6a](N[5a]B[5,5a]C[5a]H)(C[6a]C[6a]C)2	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]B[5,5a]C[6a]H)(BC[6a]2)	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>}	C[6a](N[5a]B[5,5a]C[5a]H)(C[6a]C[6a]C)2{1|B<3>,1|N<3>,2|C<3>,2|H<1>,2|O<2>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]B[5,5a]C[6a]H)(BC[6a]2){1|H<1>,2|O<2>,4|C<3>}	114.6740	0.000	1	114.6740	0.000	1	114.6740	0.000	1	114.6740	0.000	1	114.6740	0.000	1	110.6480	10.912	21
998	643	951	0:SP3_SP-NON_SP2	N[5a]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[5a,6a]-3:B[5a]-4:C[6a]-3:H-1:	N[5a]-4:C[6a]-3:C[6a]-3:	N[5a]-4:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(B[5a]C[6a]2O[5a])(C[6a]C[6a]2)(H)	C[6a](N[5a]C[5a,6a]B[5a]H)(C[6a]C[6a]C)2	H(N[5a]C[5a,6a]B[5a]C[6a])	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>}	C[6a](N[5a]C[5a,6a]B[5a]H)(C[6a]C[6a]C)2{1|O<2>,2|H<1>,5|C<3>}	H(N[5a]C[5a,6a]B[5a]C[6a])	103.9690	0.000	1	103.9690	0.000	1	103.9690	0.000	1	103.9690	0.000	1	104.1895	0.097	2	104.1895	0.097	2
998	643	951	0:SP3_SP-NON_SP2	N[5a]	C[6a]	H	4:3:3:1:	4:3:3:	4:	B[5,5a]-4:C[5a]-3:C[6a]-3:H-1:	N[5a]-4:C[6a]-3:C[6a]-3:	N[5a]-4:	N[5a](B[5,5a]N[5a,6a]O[5]2)(C[5a]C[5a,6a]B)(C[6a]C[6a]2)(H)	C[6a](N[5a]B[5,5a]C[5a]H)(C[6a]C[6a]C)2	H(N[5a]B[5,5a]C[5a]C[6a])	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>}	C[6a](N[5a]B[5,5a]C[5a]H)(C[6a]C[6a]C)2{1|B<3>,1|N<3>,2|C<3>,2|H<1>,2|O<2>}	H(N[5a]B[5,5a]C[5a]C[6a])	104.4100	0.000	1	104.4100	0.000	1	104.4100	0.000	1	104.4100	0.000	1	104.1895	0.097	2	104.1895	0.097	2
998	679	679	5:SP3_SP3_SP3	N[5a]	B[5a]	B[5a]	4:4:4:1:	3:3:4:3:	3:3:4:3:	B[5a]-4:B[5a]-4:C-4:H-1:	N[5,5a]-3:N[5a]-3:N[5a]-4:C[6a]-3:	N[5,5a]-3:N[5a]-3:N[5a]-4:C[6a]-3:	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)	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])2(CH3)(H){2|N<2>,8|C<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){1|N<3>,4|H<1>,7|C<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){1|N<3>,4|H<1>,7|C<3>}	110.5690	0.000	1	110.5690	0.000	1	110.5690	0.000	1	110.5690	0.000	1	110.5335	0.003	2	110.5335	0.003	2
998	679	679	5:SP3_SP3_SP3	N[5a]	B[5a]	B[5a]	4:4:4:1:	3:4:3:3:	3:4:3:3:	B[5a]-4:B[5a]-4:C-4:H-1:	N[5,5a]-3:N[5a]-4:N[5]-3:C[6a]-3:	N[5,5a]-3:N[5a]-4:N[5]-3:C[6a]-3:	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)	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[5a](B[5a]N[5,5a]C[6a]N[5])2(CH3)(H){2|N<3>,8|C<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){1|Co<4>,1|N<3>,4|H<1>,7|C<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){1|Co<4>,1|N<3>,4|H<1>,7|C<3>}	110.4980	0.000	1	110.4980	0.000	1	110.4980	0.000	1	110.4980	0.000	1	110.5335	0.003	2	110.5335	0.003	2
998	679	727	5:SP3_SP2_SP3	N[5a]	B[5,5a]	C[5a]	4:3:3:1:	3:4:2:2:	3:4:3:	B[5,5a]-4:C[5a]-3:C[6a]-3:H-1:	N[5a,6a]-3:N[5a]-4:O[5]-2:O[5]-2:	C[5a,6a]-3:N[5a]-4:B-3:	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	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]B[5,5a]C[6a]H)(BC[6a]2)	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>}	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>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]B[5,5a]C[6a]H)(BC[6a]2){1|H<1>,2|O<2>,4|C<3>}	108.5770	0.000	1	108.5770	0.000	1	108.5770	0.000	1	108.5770	0.000	1	108.5770	0.000	1	104.6180	31.347	2
998	679	727	5:SP3_SP2_SP3	N[5a]	B[5a]	C[5a,6a]	3:4:3:1:	4:2:3:3:	3:3:4:	C[5a,6a]-3:B[5a]-4:C[6a]-3:H-1:	N[5a]-4:O[5a]-2:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-4:	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	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]B[5a]C[6a]H)	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>}	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[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]B[5a]C[6a]H){1|H<1>,8|C<3>}	100.6590	0.000	1	100.6590	0.000	1	100.6590	0.000	1	100.6590	0.000	1	100.6590	0.000	1	104.6180	31.347	2
998	679	951	0:SP3_SP-NON_SP3	N[5a]	B[5,5a]	H	4:3:3:1:	3:4:2:2:	4:	B[5,5a]-4:C[5a]-3:C[6a]-3:H-1:	N[5a,6a]-3:N[5a]-4:O[5]-2:O[5]-2:	N[5a]-4:	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	H(N[5a]B[5,5a]C[5a]C[6a])	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>}	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>}	H(N[5a]B[5,5a]C[5a]C[6a])	104.3660	0.000	1	104.3660	0.000	1	104.3660	0.000	1	104.3660	0.000	1	104.3660	0.000	1	109.3751	35.562	10
998	679	951	0:SP3_SP-NON_SP3	N[5a]	B[5a]	H	3:4:3:1:	4:2:3:3:	4:	C[5a,6a]-3:B[5a]-4:C[6a]-3:H-1:	N[5a]-4:O[5a]-2:C[6a]-3:C[6a]-3:	N[5a]-4:	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	H(N[5a]C[5a,6a]B[5a]C[6a])	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>}	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>}	H(N[5a]C[5a,6a]B[5a]C[6a])	105.9510	0.000	1	105.9510	0.000	1	105.9510	0.000	1	105.9510	0.000	1	109.9317	36.523	9	109.3751	35.562	10
998	679	951	0:SP3_SP-NON_SP3	N[5a]	B[5a]	H	4:2:1:1:	4:3:3:2:	4:	B[5a]-4:N[5a]-2:H-1:H-1:	N[5a]-4:C[6a]-3:C[6a]-3:O[5a]-2:	N[5a]-4:	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])	H(N[5a]B[5a]N[5a]H)	N[5a](B[5a]C[6a]2O[5a])(N[5a]C[5a])(H)2{5|C<3>}	B[5a](N[5a]N[5a]HH)(C[6a]C[6a]2)2(O[5a]C[5a]){4|F<1>,5|C<3>}	H(N[5a]B[5a]N[5a]H)	115.4625	2.734	4	115.4625	7.477	4	115.4625	7.477	4	115.4625	7.477	4	109.9317	36.523	9	109.3751	35.562	10
998	679	951	0:SP3_SP-NON_SP3	N[5a]	B[5a]	H	4:4:4:1:	3:3:4:3:	4:	B[5a]-4:B[5a]-4:C-4:H-1:	N[5,5a]-3:N[5a]-3:N[5a]-4:C[6a]-3:	N[5a]-4:	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)	H(N[5a]B[5a]2C)	N[5a](B[5a]N[5,5a]C[6a]N[5a])2(CH3)(H){2|N<2>,8|C<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){1|N<3>,4|H<1>,7|C<3>}	H(N[5a]B[5a]2C)	102.3710	1.083	2	102.3710	1.174	2	102.3710	1.174	2	102.3710	1.174	2	109.9317	36.523	9	109.3751	35.562	10
998	679	951	0:SP3_SP-NON_SP3	N[5a]	B[5a]	H	4:4:4:1:	3:4:3:3:	4:	B[5a]-4:B[5a]-4:C-4:H-1:	N[5,5a]-3:N[5a]-4:N[5]-3:C[6a]-3:	N[5a]-4:	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)	H(N[5a]B[5a]2C)	N[5a](B[5a]N[5,5a]C[6a]N[5])2(CH3)(H){2|N<3>,8|C<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){1|Co<4>,1|N<3>,4|H<1>,7|C<3>}	H(N[5a]B[5a]2C)	108.4210	3.388	2	108.4210	11.482	2	108.4210	11.482	2	108.4210	11.482	2	109.9317	36.523	9	109.3751	35.562	10
998	727	727	0:SP3_SP2_SP2	N[5a,5a]	C[5a,6a]	C[5a,6a]	3:3:3:3:	3:4:3:	3:4:3:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:N[5a,5a]-4:C[6a]-3:	C[5a,6a]-3:N[5a,5a]-4:C[6a]-3:	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])4	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a]C[5a,6a]3)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a]C[5a,6a]3)(C[6a]C[6a]H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])4{4|H<1>,8|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a]C[5a,6a]3)(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a]C[5a,6a]3)(C[6a]C[6a]H){2|H<1>,7|C<3>}	112.8420	1.738	4	112.8420	3.020	4	112.8420	3.020	4	112.8420	3.020	4	112.8420	3.020	4	112.8420	3.020	4
998	727	727	5:SP3_SP2_SP2	N[5a,5a]	C[5a,6a]	C[5a,6a]	3:3:3:3:	3:4:3:	3:4:3:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:N[5a,5a]-4:C[6a]-3:	C[5a,6a]-3:N[5a,5a]-4:C[6a]-3:	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])4	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a]C[5a,6a]3)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a]C[5a,6a]3)(C[6a]C[6a]H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])4{4|H<1>,8|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a]C[5a,6a]3)(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a]C[5a,6a]3)(C[6a]C[6a]H){2|H<1>,7|C<3>}	108.6058	5.173	10	108.6058	26.757	10	108.6058	26.757	10	108.6058	26.757	10	108.6058	26.757	10	106.5497	26.311	15
998	727	727	5:SP3_SP2_SP2	N[5a]	C[5a,6a]	C[5a,6a]	3:3:3:3:	3:4:3:	3:4:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-4:C[6a]-3:	C[5a,6a]-3:N[5a]-4:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)2{6|H<1>,8|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	102.4374	0.420	5	102.4374	0.177	5	102.4374	0.177	5	102.4374	0.177	5	102.4374	0.177	5	106.5497	26.311	15
998	727	951	0:SP3_SP-NON_SP2	N[5a]	C[5a,6a]	H	3:4:3:1:	3:3:4:	4:	C[5a,6a]-3:B[5a]-4:C[6a]-3:H-1:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-4:	N[5a]-4:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(B[5a]C[6a]2O[5a])(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]B[5a]C[6a]H)	H(N[5a]C[5a,6a]B[5a]C[6a])	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>}	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]B[5a]C[6a]H){1|H<1>,8|C<3>}	H(N[5a]C[5a,6a]B[5a]C[6a])	107.8320	0.000	1	107.8320	0.000	1	107.8320	0.000	1	107.8320	0.000	1	107.8320	0.000	1	106.1195	5.865	2
998	727	951	0:SP3_SP-NON_SP2	N[5a]	C[5a]	H	4:3:3:1:	3:4:3:	4:	B[5,5a]-4:C[5a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-4:B-3:	N[5a]-4:	N[5a](B[5,5a]N[5a,6a]O[5]2)(C[5a]C[5a,6a]B)(C[6a]C[6a]2)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]B[5,5a]C[6a]H)(BC[6a]2)	H(N[5a]B[5,5a]C[5a]C[6a])	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>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]B[5,5a]C[6a]H)(BC[6a]2){1|H<1>,2|O<2>,4|C<3>}	H(N[5a]B[5,5a]C[5a]C[6a])	104.4070	0.000	1	104.4070	0.000	1	104.4070	0.000	1	104.4070	0.000	1	104.4070	0.000	1	106.1195	5.865	2
998	951	951	0:SP3_SP-NON_SP-NON	N[5a]	H	H	4:2:1:1:	4:	4:	B[5a]-4:N[5a]-2:H-1:H-1:	N[5a]-4:	N[5a]-4:	N[5a](B[5a]C[6a]2O[5a])(N[5a]C[5a])(H)2	H(N[5a]B[5a]N[5a]H)	H(N[5a]B[5a]N[5a]H)	N[5a](B[5a]C[6a]2O[5a])(N[5a]C[5a])(H)2{5|C<3>}	H(N[5a]B[5a]N[5a]H)	H(N[5a]B[5a]N[5a]H)	103.5395	4.823	2	103.5395	23.263	2	103.5395	23.263	2	103.5395	23.263	2	103.5395	23.263	2	103.5395	23.263	2
998	951	981	0:SP3_SP-NON_SP3	N[5,6,6,6a,6a]	H	B[3,5,6,6,6a,6a]	4:4:4:1:	4:	6:5:4:1:	B[3,5,6,6,6a,6a]-4:B[3,5,6,6,6a,6a]-4:C-4:H-1:	N[5,6,6,6a,6a]-4:	B[4x3,5,5,6,6,6a,6a]-6:C[3x3,5,5,6,6]-5:N[5,6,6,6a,6a]-4:H-1:	N[5,6,6,6a,6a](B[3,5,6,6,6a,6a]B[4x3,5,5,6,6,6a,6a]C[3x3,5,5,6,6]H)2(CC3)(H)	H(N[5,6,6,6a,6a]B[3,5,6,6,6a,6a]2C)	B[3,5,6,6,6a,6a](B[4x3,5,5,6,6,6a,6a]B[5x3,5,6,6,6a]C[3x3,5,5,6,6]B[5x3,5,6a]B[3x3,5,6]H)(C[3x3,5,5,6,6]B[4x3,5,5,6,6,6a,6a]B[5x3,5,6,6,6a]C[3x3,5,5,6,6]H)(N[5,6,6,6a,6a]B[3,5,6,6,6a,6a]CH)(H)	N[5,6,6,6a,6a](B[3,5,6,6,6a,6a]B[4x3,5,5,6,6,6a,6a]C[3x3,5,5,6,6]H)2(CC3)(H){2|B<5>,2|B<6>,4|H<1>}	H(N[5,6,6,6a,6a]B[3,5,6,6,6a,6a]2C)	B[3,5,6,6,6a,6a](B[4x3,5,5,6,6,6a,6a]B[5x3,5,6,6,6a]C[3x3,5,5,6,6]B[5x3,5,6a]B[3x3,5,6]H)(C[3x3,5,5,6,6]B[4x3,5,5,6,6,6a,6a]B[5x3,5,6,6,6a]C[3x3,5,5,6,6]H)(N[5,6,6,6a,6a]B[3,5,6,6,6a,6a]CH)(H){1|B<5>,1|B<6>,1|H<2>,5|H<1>}	108.6730	1.506	2	108.6730	2.268	2	108.6730	2.268	2	108.6730	2.268	2	108.6730	2.268	2	108.6730	2.268	2
998	981	981	6:SP3_SP3_SP3	N[5,6,6,6a,6a]	B[3,5,6,6,6a,6a]	B[3,5,6,6,6a,6a]	4:4:4:1:	6:5:4:1:	6:5:4:1:	B[3,5,6,6,6a,6a]-4:B[3,5,6,6,6a,6a]-4:C-4:H-1:	B[4x3,5,5,6,6,6a,6a]-6:C[3x3,5,5,6,6]-5:N[5,6,6,6a,6a]-4:H-1:	B[4x3,5,5,6,6,6a,6a]-6:C[3x3,5,5,6,6]-5:N[5,6,6,6a,6a]-4:H-1:	N[5,6,6,6a,6a](B[3,5,6,6,6a,6a]B[4x3,5,5,6,6,6a,6a]C[3x3,5,5,6,6]H)2(CC3)(H)	B[3,5,6,6,6a,6a](B[4x3,5,5,6,6,6a,6a]B[5x3,5,6,6,6a]C[3x3,5,5,6,6]B[5x3,5,6a]B[3x3,5,6]H)(C[3x3,5,5,6,6]B[4x3,5,5,6,6,6a,6a]B[5x3,5,6,6,6a]C[3x3,5,5,6,6]H)(N[5,6,6,6a,6a]B[3,5,6,6,6a,6a]CH)(H)	B[3,5,6,6,6a,6a](B[4x3,5,5,6,6,6a,6a]B[5x3,5,6,6,6a]C[3x3,5,5,6,6]B[5x3,5,6a]B[3x3,5,6]H)(C[3x3,5,5,6,6]B[4x3,5,5,6,6,6a,6a]B[5x3,5,6,6,6a]C[3x3,5,5,6,6]H)(N[5,6,6,6a,6a]B[3,5,6,6,6a,6a]CH)(H)	N[5,6,6,6a,6a](B[3,5,6,6,6a,6a]B[4x3,5,5,6,6,6a,6a]C[3x3,5,5,6,6]H)2(CC3)(H){2|B<5>,2|B<6>,4|H<1>}	B[3,5,6,6,6a,6a](B[4x3,5,5,6,6,6a,6a]B[5x3,5,6,6,6a]C[3x3,5,5,6,6]B[5x3,5,6a]B[3x3,5,6]H)(C[3x3,5,5,6,6]B[4x3,5,5,6,6,6a,6a]B[5x3,5,6,6,6a]C[3x3,5,5,6,6]H)(N[5,6,6,6a,6a]B[3,5,6,6,6a,6a]CH)(H){1|B<5>,1|B<6>,1|H<2>,5|H<1>}	B[3,5,6,6,6a,6a](B[4x3,5,5,6,6,6a,6a]B[5x3,5,6,6,6a]C[3x3,5,5,6,6]B[5x3,5,6a]B[3x3,5,6]H)(C[3x3,5,5,6,6]B[4x3,5,5,6,6,6a,6a]B[5x3,5,6,6,6a]C[3x3,5,5,6,6]H)(N[5,6,6,6a,6a]B[3,5,6,6,6a,6a]CH)(H){1|B<5>,1|B<6>,1|H<2>,5|H<1>}	104.5490	0.000	1	104.5490	0.000	1	104.5490	0.000	1	104.5490	0.000	1	104.5490	0.000	1	104.5490	0.000	1
999	82	466	6:SP3_SP3_SPD5	N[5,6]	Ga[5,6]	C[6]	5:4:4:4:	4:2:2:3:2:	3:4:1:1:	Ga[5,6]-5:C[6]-4:C[5]-4:C-4:	N[5,6]-4:O[6]-2:O[5]-2:O-3:O-2:	C[6,6a]-3:N[5,6]-4:H-1:H-1:	N[5,6](Ga[5,6]O[5]O[6]OO)(C[6]C[6,6a]HH)(C[5]C[5]HH)(CCHH)	Ga[5,6](N[5,6]C[5]C[6]C)(O[6]C[6,6a])(O[5]C[5])(OHH)(OC)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]Ga[5,6]C[5]C)(H)2	N[5,6](Ga[5,6]O[5]O[6]OO)(C[6]C[6,6a]HH)(C[5]C[5]HH)(CCHH){1|O<1>,2|C<3>}	Ga[5,6](N[5,6]C[5]C[6]C)(O[6]C[6,6a])(O[5]C[5])(OHH)(OC){1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]Ga[5,6]C[5]C)(H)2{1|O<3>,3|C<3>,3|H<1>,3|O<2>}	108.0280	0.000	1	108.0280	0.000	1	108.0280	0.000	1	108.0280	0.000	1	108.0280	0.000	1	108.0280	0.000	1
999	82	474	5:SP3_SP3_SPD5	N[5,5]	Ga[3x5]	C[5]	5:4:4:1:	4:4:2:2:2:	4:3:1:1:	Ga[3x5]-5:C[5]-4:C[5]-4:H-1:	N[5,5]-4:N[5,5]-4:O[5]-2:O[5]-2:O-2:	N[5,5]-4:C[5]-3:H-1:H-1:	N[5,5](Ga[3x5]N[5,5]O[5]2O)(C[5]C[6a]C[5]C)(C[5]C[5]HH)(H)	Ga[3x5](N[5,5]C[5]2C)(N[5,5]C[5]2H)(O[5]C[5])2(OC)	C[5](N[5,5]Ga[3x5]C[5]H)(C[5]O[5]O)(H)2	N[5,5](Ga[3x5]N[5,5]O[5]2O)(C[5]C[6a]C[5]C)(C[5]C[5]HH)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	Ga[3x5](N[5,5]C[5]2C)(N[5,5]C[5]2H)(O[5]C[5])2(OC){1|C<3>,1|C<4>,2|O<1>,6|H<1>}	C[5](N[5,5]Ga[3x5]C[5]H)(C[5]O[5]O)(H)2{1|C<3>,1|N<4>,2|C<4>,2|O<2>}	109.5625	0.653	2	109.5625	0.426	2	109.5625	0.426	2	109.5625	0.426	2	105.0897	12.623	10	106.3657	8.436	21
999	82	474	5:SP3_SP3_SPD5	N[5,5]	Ga[3x5]	C[5]	5:4:4:1:	4:4:2:2:2:	4:4:3:4:	Ga[3x5]-5:C[5]-4:C[5]-4:H-1:	N[5,5]-4:N[5,5]-4:O[5]-2:O[5]-2:O-2:	N[5,5]-4:C[5]-4:C[6a]-3:C-4:	N[5,5](Ga[3x5]N[5,5]O[5]2O)(C[5]C[6a]C[5]C)(C[5]C[5]HH)(H)	Ga[3x5](N[5,5]C[5]2C)(N[5,5]C[5]2H)(O[5]C[5])2(OC)	C[5](N[5,5]Ga[3x5]C[5]H)(C[5]N[5,5]HH)(C[6a]C[6a]2)(CHHN)	N[5,5](Ga[3x5]N[5,5]O[5]2O)(C[5]C[6a]C[5]C)(C[5]C[5]HH)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	Ga[3x5](N[5,5]C[5]2C)(N[5,5]C[5]2H)(O[5]C[5])2(OC){1|C<3>,1|C<4>,2|O<1>,6|H<1>}	C[5](N[5,5]Ga[3x5]C[5]H)(C[5]N[5,5]HH)(C[6a]C[6a]2)(CHHN){2|C<4>,3|C<3>,3|O<2>,4|H<1>}	100.8365	0.360	2	100.8365	0.130	2	100.8365	0.130	2	100.8365	0.130	2	105.0897	12.623	10	106.3657	8.436	21
999	82	474	5:SP3_SP3_SPD5	N[5,5]	Ga[3x5]	C[5]	5:4:4:4:	4:2:2:4:4:	4:4:1:1:	Ga[3x5]-5:C[5]-4:C[5]-4:C-4:	N[5,5]-4:O[5]-2:O[5]-2:N[5]-4:N[5]-4:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5](Ga[3x5]N[5]2O[5]2)(C[5]C[5]HH)2(CCHH)	Ga[3x5](N[5,5]C[5]2C)(O[5]C[5,6a])2(N[5]C[5]HH)2	C[5](N[5,5]Ga[3x5]C[5]C)(C[5]N[5]HH)(H)2	N[5,5](Ga[3x5]N[5]2O[5]2)(C[5]C[5]HH)2(CCHH){2|C<3>,8|H<1>}	Ga[3x5](N[5,5]C[5]2C)(O[5]C[5,6a])2(N[5]C[5]HH)2{2|C<3>,8|H<1>}	C[5](N[5,5]Ga[3x5]C[5]C)(C[5]N[5]HH)(H)2{1|C<4>,1|N<4>,2|O<2>,4|H<1>}	107.2470	3.045	2	107.2470	9.271	2	107.2470	9.271	2	107.2470	9.271	2	105.0897	12.623	10	106.3657	8.436	21
999	82	474	5:SP3_SP3_SPD5	N[5,5]	Ga[3x5]	C[5]	5:4:4:4:	4:4:2:2:2:	4:3:1:1:	Ga[3x5]-5:C[5]-4:C[5]-4:C-4:	N[5,5]-4:N[5,5]-4:O[5]-2:O[5]-2:O-2:	N[5,5]-4:C[5]-3:H-1:H-1:	N[5,5](Ga[3x5]N[5,5]O[5]2O)(C[5]C[5]HH)2(CCHH)	Ga[3x5](N[5,5]C[5]2C)(N[5,5]C[5]2H)(O[5]C[5])2(OC)	C[5](N[5,5]Ga[3x5]C[5]C)(C[5]O[5]O)(H)2	N[5,5](Ga[3x5]N[5,5]O[5]2O)(C[5]C[5]HH)2(CCHH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	Ga[3x5](N[5,5]C[5]2C)(N[5,5]C[5]2H)(O[5]C[5])2(OC){1|C<3>,1|C<4>,2|O<1>,6|H<1>}	C[5](N[5,5]Ga[3x5]C[5]C)(C[5]O[5]O)(H)2{1|C<4>,1|N<4>,2|H<1>,2|O<2>}	102.2440	0.076	2	102.2440	0.006	2	102.2440	0.006	2	102.2440	0.006	2	105.0897	12.623	10	106.3657	8.436	21
999	82	474	5:SP3_SP3_SPD5	N[5,5]	Ga[3x5]	C[5]	5:4:4:4:	4:4:2:2:2:	4:4:1:1:	Ga[3x5]-5:C[5]-4:C[5]-4:C-4:	N[5,5]-4:N[5,5]-4:O[5]-2:O[5]-2:O-2:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5](Ga[3x5]N[5,5]O[5]2O)(C[5]C[5]HH)2(CCHH)	Ga[3x5](N[5,5]C[5]2C)(N[5,5]C[5]2H)(O[5]C[5])2(OC)	C[5](N[5,5]Ga[3x5]C[5]C)(C[5]N[5,5]C[6a]C)(H)2	N[5,5](Ga[3x5]N[5,5]O[5]2O)(C[5]C[5]HH)2(CCHH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	Ga[3x5](N[5,5]C[5]2C)(N[5,5]C[5]2H)(O[5]C[5])2(OC){1|C<3>,1|C<4>,2|O<1>,6|H<1>}	C[5](N[5,5]Ga[3x5]C[5]C)(C[5]N[5,5]C[6a]C)(H)2{1|C<4>,3|C<3>,3|H<1>,3|O<2>}	105.5585	1.281	2	105.5585	1.640	2	105.5585	1.640	2	105.5585	1.640	2	105.0897	12.623	10	106.3657	8.436	21
999	82	474	5:SP3_SP3_SPD5	N[5,5]	Ga[4x5]	C[5]	5:4:4:4:	4:4:4:2:2:	4:3:1:1:	Ga[4x5]-5:C[5]-4:C[5]-4:C-4:	N[5,5]-4:N[5,5]-4:N[5,5]-4:O[5]-2:O[5]-2:	N[5,5]-4:C[5]-3:H-1:H-1:	N[5,5](Ga[4x5]N[5,5]2O[5]2)(C[5]C[5]HH)2(CCHH)	Ga[4x5](N[5,5]C[5]2C)3(O[5]C[5])2	C[5](N[5,5]Ga[4x5]C[5]C)(C[5]O[5]O)(H)2	N[5,5](Ga[4x5]N[5,5]2O[5]2)(C[5]C[5]HH)2(CCHH){1|C<3>,1|O<1>,2|H<1>,5|C<4>}	Ga[4x5](N[5,5]C[5]2C)3(O[5]C[5])2{12|H<1>,2|O<1>}	C[5](N[5,5]Ga[4x5]C[5]C)(C[5]O[5]O)(H)2{1|C<4>,1|O<2>,2|H<1>,2|N<4>}	106.9015	0.599	2	106.9015	0.359	2	106.9015	0.359	2	106.9015	0.359	2	107.4098	0.674	6	106.3657	8.436	21
999	82	474	5:SP3_SP3_SPD5	N[5,5]	Ga[4x5]	C[5]	5:4:4:4:	4:4:4:2:2:	4:4:1:1:	Ga[4x5]-5:C[5]-4:C[5]-4:C-4:	N[5,5]-4:N[5,5]-4:N[5,5]-4:O[5]-2:O[5]-2:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5](Ga[4x5]N[5,5]2O[5]2)(C[5]C[5]HH)2(CCHH)	Ga[4x5](N[5,5]C[5]2C)3(O[5]C[5])2	C[5](N[5,5]Ga[4x5]C[5]C)(C[5]N[5,5]HH)(H)2	N[5,5](Ga[4x5]N[5,5]2O[5]2)(C[5]C[5]HH)2(CCHH){1|C<3>,1|O<1>,2|H<1>,5|C<4>}	Ga[4x5](N[5,5]C[5]2C)3(O[5]C[5])2{12|H<1>,2|O<1>}	C[5](N[5,5]Ga[4x5]C[5]C)(C[5]N[5,5]HH)(H)2{1|C<3>,1|N<4>,2|C<4>,2|H<1>,2|O<2>}	107.4795	0.890	2	107.6640	0.745	4	107.6640	0.745	4	107.6640	0.745	4	107.4098	0.674	6	106.3657	8.436	21
999	82	474	5:SP3_SP3_SPD5	N[5,5]	Ga[4x5]	C[5]	5:4:4:4:	4:4:4:2:2:	4:4:1:1:	Ga[4x5]-5:C[5]-4:C[5]-4:C-4:	N[5,5]-4:N[5,5]-4:N[5,5]-4:O[5]-2:O[5]-2:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5](Ga[4x5]N[5,5]2O[5]2)(C[5]C[5]HH)2(CCHH)	Ga[4x5](N[5,5]C[5]2C)3(O[5]C[5])2	C[5](N[5,5]Ga[4x5]C[5]C)(C[5]N[5,5]HH)(H)2	N[5,5](Ga[4x5]N[5,5]2O[5]2)(C[5]C[5]HH)2(CCHH){2|C<3>,4|C<4>,4|H<1>}	Ga[4x5](N[5,5]C[5]2C)3(O[5]C[5])2{12|H<1>,2|O<1>}	C[5](N[5,5]Ga[4x5]C[5]C)(C[5]N[5,5]HH)(H)2{1|N<4>,2|H<1>,2|O<2>,3|C<4>}	107.8485	1.143	2	107.6640	0.745	4	107.6640	0.745	4	107.6640	0.745	4	107.4098	0.674	6	106.3657	8.436	21
999	82	474	5:SP3_SP3_SPD5	N[5,5]	Ga[5,5]	C[5]	5:4:4:4:	4:2:2:3:2:	4:3:1:1:	Ga[5,5]-5:C[5]-4:C[5]-4:C-4:	N[5,5]-4:O[5]-2:O[5]-2:O-3:O-2:	N[5,5]-4:C[5]-3:H-1:H-1:	N[5,5](Ga[5,5]O[5]2OO)(C[5]C[5]HH)2(CCHH)	Ga[5,5](N[5,5]C[5]2C)(O[5]C[5])2(OHH)(OC)	C[5](N[5,5]Ga[5,5]C[5]C)(C[5]O[5]O)(H)2	N[5,5](Ga[5,5]O[5]2OO)(C[5]C[5]HH)2(CCHH){2|O<1>}	Ga[5,5](N[5,5]C[5]2C)(O[5]C[5])2(OHH)(OC){2|O<1>,4|H<1>}	C[5](N[5,5]Ga[5,5]C[5]C)(C[5]O[5]O)(H)2{1|C<3>,1|O<3>,2|H<1>,2|O<2>}	105.3500	1.500	2	105.3500	2.251	2	105.3500	2.251	2	105.3500	2.251	2	105.3500	2.251	2	106.3657	8.436	21
999	82	474	5:SP3_SP3_SPD5	N[5,6]	Ga[5,6]	C[5]	5:4:4:4:	4:2:2:3:2:	4:3:1:1:	Ga[5,6]-5:C[6]-4:C[5]-4:C-4:	N[5,6]-4:O[6]-2:O[5]-2:O-3:O-2:	N[5,6]-4:C[5]-3:H-1:H-1:	N[5,6](Ga[5,6]O[5]O[6]OO)(C[6]C[6,6a]HH)(C[5]C[5]HH)(CCHH)	Ga[5,6](N[5,6]C[5]C[6]C)(O[6]C[6,6a])(O[5]C[5])(OHH)(OC)	C[5](N[5,6]Ga[5,6]C[6]C)(C[5]O[5]O)(H)2	N[5,6](Ga[5,6]O[5]O[6]OO)(C[6]C[6,6a]HH)(C[5]C[5]HH)(CCHH){1|O<1>,2|C<3>}	Ga[5,6](N[5,6]C[5]C[6]C)(O[6]C[6,6a])(O[5]C[5])(OHH)(OC){1|O<1>,2|C<3>,4|H<1>}	C[5](N[5,6]Ga[5,6]C[6]C)(C[5]O[5]O)(H)2{1|C<3>,1|O<3>,2|H<1>,2|O<2>}	109.0830	0.000	1	109.0830	0.000	1	109.0830	0.000	1	109.0830	0.000	1	109.0830	0.000	1	106.3657	8.436	21
999	82	474	5:SP3_SP3_SPD5	N[5]	Ga[3x5]	C[5]	5:4:1:1:	4:2:2:4:4:	4:4:1:1:	Ga[3x5]-5:C[5]-4:H-1:H-1:	N[5,5]-4:O[5]-2:O[5]-2:N[5]-4:N[5]-4:	N[5]-4:C[5]-4:H-1:H-1:	N[5](Ga[3x5]N[5,5]N[5]O[5]2)(C[5]C[5]HH)(H)2	Ga[3x5](N[5,5]C[5]2C)(O[5]C[5,6a])2(N[5]C[5]HH)2	C[5](N[5]Ga[3x5]HH)(C[5]N[5,5]HH)(H)2	N[5](Ga[3x5]N[5,5]N[5]O[5]2)(C[5]C[5]HH)(H)2{2|C<3>,3|C<4>,4|H<1>}	Ga[3x5](N[5,5]C[5]2C)(O[5]C[5,6a])2(N[5]C[5]HH)2{2|C<3>,8|H<1>}	C[5](N[5]Ga[3x5]HH)(C[5]N[5,5]HH)(H)2{1|N<4>,2|C<4>,2|O<2>}	109.2700	0.595	2	109.2700	0.354	2	109.2700	0.354	2	109.2700	0.354	2	109.2700	0.354	2	106.3657	8.436	21
999	82	490	0:SP3_SP3_SPD5	N[5,5]	Ga[3x5]	C	5:4:4:4:	4:2:2:4:4:	4:4:1:1:	Ga[3x5]-5:C[5]-4:C[5]-4:C-4:	N[5,5]-4:O[5]-2:O[5]-2:N[5]-4:N[5]-4:	N[5,5]-4:C-4:H-1:H-1:	N[5,5](Ga[3x5]N[5]2O[5]2)(C[5]C[5]HH)2(CCHH)	Ga[3x5](N[5,5]C[5]2C)(O[5]C[5,6a])2(N[5]C[5]HH)2	C(N[5,5]Ga[3x5]C[5]2)(CHHN)(H)2	N[5,5](Ga[3x5]N[5]2O[5]2)(C[5]C[5]HH)2(CCHH){2|C<3>,8|H<1>}	Ga[3x5](N[5,5]C[5]2C)(O[5]C[5,6a])2(N[5]C[5]HH)2{2|C<3>,8|H<1>}	C(N[5,5]Ga[3x5]C[5]2)(CHHN)(H)2	105.9120	0.000	1	105.9120	0.000	1	105.9120	0.000	1	105.9120	0.000	1	107.5287	2.406	3	107.2085	2.168	8
999	82	490	0:SP3_SP3_SPD5	N[5,5]	Ga[3x5]	C	5:4:4:4:	4:4:2:2:2:	4:4:1:1:	Ga[3x5]-5:C[5]-4:C[5]-4:C-4:	N[5,5]-4:N[5,5]-4:O[5]-2:O[5]-2:O-2:	N[5,5]-4:C-4:H-1:H-1:	N[5,5](Ga[3x5]N[5,5]O[5]2O)(C[5]C[5]HH)2(CCHH)	Ga[3x5](N[5,5]C[5]2C)(N[5,5]C[5]2H)(O[5]C[5])2(OC)	C(N[5,5]Ga[3x5]C[5]2)(CHHN)(H)2	N[5,5](Ga[3x5]N[5,5]O[5]2O)(C[5]C[5]HH)2(CCHH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	Ga[3x5](N[5,5]C[5]2C)(N[5,5]C[5]2H)(O[5]C[5])2(OC){1|C<3>,1|C<4>,2|O<1>,6|H<1>}	C(N[5,5]Ga[3x5]C[5]2)(CHHN)(H)2	108.3370	0.945	2	108.3370	0.892	2	108.3370	0.892	2	108.3370	0.892	2	107.5287	2.406	3	107.2085	2.168	8
999	82	490	0:SP3_SP3_SPD5	N[5,5]	Ga[4x5]	C	5:4:4:4:	4:4:4:2:2:	4:3:1:1:	Ga[4x5]-5:C[5]-4:C[5]-4:C-4:	N[5,5]-4:N[5,5]-4:N[5,5]-4:O[5]-2:O[5]-2:	N[5,5]-4:C-3:H-1:H-1:	N[5,5](Ga[4x5]N[5,5]2O[5]2)(C[5]C[5]HH)2(CCHH)	Ga[4x5](N[5,5]C[5]2C)3(O[5]C[5])2	C(N[5,5]Ga[4x5]C[5]2)(COO)(H)2	N[5,5](Ga[4x5]N[5,5]2O[5]2)(C[5]C[5]HH)2(CCHH){2|C<3>,4|C<4>,4|H<1>}	Ga[4x5](N[5,5]C[5]2C)3(O[5]C[5])2{12|H<1>,2|O<1>}	C(N[5,5]Ga[4x5]C[5]2)(COO)(H)2	108.9580	0.000	1	108.9580	0.000	1	108.9580	0.000	1	108.9580	0.000	1	107.9553	1.140	3	107.2085	2.168	8
999	82	490	0:SP3_SP3_SPD5	N[5,5]	Ga[4x5]	C	5:4:4:4:	4:4:4:2:2:	4:4:1:1:	Ga[4x5]-5:C[5]-4:C[5]-4:C-4:	N[5,5]-4:N[5,5]-4:N[5,5]-4:O[5]-2:O[5]-2:	N[5,5]-4:C-4:H-1:H-1:	N[5,5](Ga[4x5]N[5,5]2O[5]2)(C[5]C[5]HH)2(CCHH)	Ga[4x5](N[5,5]C[5]2C)3(O[5]C[5])2	C(N[5,5]Ga[4x5]C[5]2)(CHHN)(H)2	N[5,5](Ga[4x5]N[5,5]2O[5]2)(C[5]C[5]HH)2(CCHH){1|C<3>,1|O<1>,2|H<1>,5|C<4>}	Ga[4x5](N[5,5]C[5]2C)3(O[5]C[5])2{12|H<1>,2|O<1>}	C(N[5,5]Ga[4x5]C[5]2)(CHHN)(H)2	107.4540	0.878	2	107.4540	0.771	2	107.4540	0.771	2	107.4540	0.771	2	107.9553	1.140	3	107.2085	2.168	8
999	82	490	0:SP3_SP3_SPD5	N[5,5]	Ga[5,5]	C	5:4:4:4:	4:2:2:3:2:	4:4:1:1:	Ga[5,5]-5:C[5]-4:C[5]-4:C-4:	N[5,5]-4:O[5]-2:O[5]-2:O-3:O-2:	N[5,5]-4:C-4:H-1:H-1:	N[5,5](Ga[5,5]O[5]2OO)(C[5]C[5]HH)2(CCHH)	Ga[5,5](N[5,5]C[5]2C)(O[5]C[5])2(OHH)(OC)	C(N[5,5]Ga[5,5]C[5]2)(CHHN)(H)2	N[5,5](Ga[5,5]O[5]2OO)(C[5]C[5]HH)2(CCHH){2|O<1>}	Ga[5,5](N[5,5]C[5]2C)(O[5]C[5])2(OHH)(OC){2|O<1>,4|H<1>}	C(N[5,5]Ga[5,5]C[5]2)(CHHN)(H)2	106.3070	0.000	1	106.3070	0.000	1	106.3070	0.000	1	106.3070	0.000	1	106.3070	0.000	1	107.2085	2.168	8
999	82	490	0:SP3_SP3_SPD5	N[5,6]	Ga[5,6]	C	5:4:4:4:	4:2:2:3:2:	4:4:1:1:	Ga[5,6]-5:C[6]-4:C[5]-4:C-4:	N[5,6]-4:O[6]-2:O[5]-2:O-3:O-2:	N[5,6]-4:C-4:H-1:H-1:	N[5,6](Ga[5,6]O[5]O[6]OO)(C[6]C[6,6a]HH)(C[5]C[5]HH)(CCHH)	Ga[5,6](N[5,6]C[5]C[6]C)(O[6]C[6,6a])(O[5]C[5])(OHH)(OC)	C(N[5,6]Ga[5,6]C[5]C[6])(CHHN)(H)2	N[5,6](Ga[5,6]O[5]O[6]OO)(C[6]C[6,6a]HH)(C[5]C[5]HH)(CCHH){1|O<1>,2|C<3>}	Ga[5,6](N[5,6]C[5]C[6]C)(O[6]C[6,6a])(O[5]C[5])(OHH)(OC){1|O<1>,2|C<3>,4|H<1>}	C(N[5,6]Ga[5,6]C[5]C[6])(CHHN)(H)2	104.9090	0.000	1	104.9090	0.000	1	104.9090	0.000	1	104.9090	0.000	1	104.9090	0.000	1	107.2085	2.168	8
999	82	951	0:SP3_SP-NON_SPD5	N[5,5]	Ga[3x5]	H	5:4:4:1:	4:4:2:2:2:	4:	Ga[3x5]-5:C[5]-4:C[5]-4:H-1:	N[5,5]-4:N[5,5]-4:O[5]-2:O[5]-2:O-2:	N[5,5]-4:	N[5,5](Ga[3x5]N[5,5]O[5]2O)(C[5]C[6a]C[5]C)(C[5]C[5]HH)(H)	Ga[3x5](N[5,5]C[5]2C)(N[5,5]C[5]2H)(O[5]C[5])2(OC)	H(N[5,5]Ga[3x5]C[5]2)	N[5,5](Ga[3x5]N[5,5]O[5]2O)(C[5]C[6a]C[5]C)(C[5]C[5]HH)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	Ga[3x5](N[5,5]C[5]2C)(N[5,5]C[5]2H)(O[5]C[5])2(OC){1|C<3>,1|C<4>,2|O<1>,6|H<1>}	H(N[5,5]Ga[3x5]C[5]2)	108.3010	0.298	2	108.3010	0.089	2	108.3010	0.089	2	108.3010	0.089	2	108.3010	0.089	2	109.3107	0.644	6
999	82	951	0:SP3_SP-NON_SPD5	N[5]	Ga[3x5]	H	5:4:1:1:	4:2:2:4:4:	4:	Ga[3x5]-5:C[5]-4:H-1:H-1:	N[5,5]-4:O[5]-2:O[5]-2:N[5]-4:N[5]-4:	N[5]-4:	N[5](Ga[3x5]N[5,5]N[5]O[5]2)(C[5]C[5]HH)(H)2	Ga[3x5](N[5,5]C[5]2C)(O[5]C[5,6a])2(N[5]C[5]HH)2	H(N[5]Ga[3x5]C[5]H)	N[5](Ga[3x5]N[5,5]N[5]O[5]2)(C[5]C[5]HH)(H)2{2|C<3>,3|C<4>,4|H<1>}	Ga[3x5](N[5,5]C[5]2C)(O[5]C[5,6a])2(N[5]C[5]HH)2{2|C<3>,8|H<1>}	H(N[5]Ga[3x5]C[5]H)	109.8155	0.155	4	109.8155	0.024	4	109.8155	0.024	4	109.8155	0.024	4	109.8155	0.024	4	109.3107	0.644	6
999	334	334	5:SP3_SP1_SP1	N[5]	C[5]	C[5]	2:2:4:4:	4:2:	4:2:	C[5]-2:C[5]-2:C-4:C-4:	N[5]-4:C[5]-2:	N[5]-4:C[5]-2:	N[5](C[5]C[5])2(CH3)2	C[5](N[5]C[5]CC)(C[5]C[5])	C[5](N[5]C[5]CC)(C[5]C[5])	N[5](C[5]C[5])2(CH3)2	C[5](N[5]C[5]CC)(C[5]C[5])	C[5](N[5]C[5]CC)(C[5]C[5])	108.0030	0.000	1	108.0030	0.000	1	108.0030	0.000	1	108.0030	0.000	1	108.0030	0.000	1	108.0030	0.000	1
999	334	490	0:SP3_SP1_SP3	N[5]	C[5]	C	2:2:4:4:	4:2:	4:1:1:1:	C[5]-2:C[5]-2:C-4:C-4:	N[5]-4:C[5]-2:	N[5]-4:H-1:H-1:H-1:	N[5](C[5]C[5])2(CH3)2	C[5](N[5]C[5]CC)(C[5]C[5])	C(N[5]C[5]2C)(H)3	N[5](C[5]C[5])2(CH3)2	C[5](N[5]C[5]CC)(C[5]C[5])	C(N[5]C[5]2C)(H)3	109.0740	3.290	4	109.0740	10.826	4	109.0740	10.826	4	109.0740	10.826	4	109.0740	10.826	4	109.0740	10.826	4
999	394	474	5:SP3_SP3_SPD5	N[3x5]	P[3x5]	C[5]	5:4:4:4:	4:3:3:3:1:	4:4:1:1:	P[3x5]-5:C[5]-4:C[5]-4:C[5]-4:	N[3x5]-4:N[5]-3:N[5]-3:N[5]-3:H-1:	N[3x5]-4:C[5]-4:H-1:H-1:	N[3x5](P[3x5]N[5]3H)(C[5]C[5]HH)3	P[3x5](N[3x5]C[5]3)(N[5]C[5]C)3(H)	C[5](N[3x5]P[3x5]C[5]2)(C[5]N[5]HH)(H)2	N[3x5](P[3x5]N[5]3H)(C[5]C[5]HH)3{3|C<4>,6|H<1>}	P[3x5](N[3x5]C[5]3)(N[5]C[5]C)3(H){12|H<1>}	C[5](N[3x5]P[3x5]C[5]2)(C[5]N[5]HH)(H)2{2|N<3>,3|C<4>,5|H<1>}	106.5532	0.297	5	106.5532	0.088	5	106.5532	0.088	5	106.5532	0.088	5	106.4839	0.263	10	106.4839	0.263	10
999	394	474	5:SP3_SP3_SPD5	N[3x5]	P[3x5]	C[5]	5:4:4:4:	4:3:3:3:2:	4:4:1:1:	P[3x5]-5:C[5]-4:C[5]-4:C[5]-4:	N[3x5]-4:N[5]-3:N[5]-3:N[5]-3:N-2:	N[3x5]-4:C[5]-4:H-1:H-1:	N[3x5](P[3x5]N[5]3N)(C[5]C[5]HH)3	P[3x5](N[3x5]C[5]3)(N[5]C[5]C)3(NN)	C[5](N[3x5]P[3x5]C[5]2)(C[5]N[5]HH)(H)2	N[3x5](P[3x5]N[5]3N)(C[5]C[5]HH)3{3|C<4>,6|H<1>}	P[3x5](N[3x5]C[5]3)(N[5]C[5]C)3(NN){12|H<1>}	C[5](N[3x5]P[3x5]C[5]2)(C[5]N[5]HH)(H)2{1|N<2>,2|N<3>,3|C<4>,4|H<1>}	106.4146	0.701	5	106.4146	0.492	5	106.4146	0.492	5	106.4146	0.492	5	106.4839	0.263	10	106.4839	0.263	10
999	402	474	5:SP3_SP3_SPD6	N[5]	Ge[5]	C[5]	6:4:1:1:	4:4:2:2:2:2:	4:4:1:1:	Ge[5]-6:C[5]-4:H-1:H-1:	N[5]-4:N[5]-4:O-2:O-2:O-2:O-2:	N[5]-4:C[5]-4:H-1:H-1:	N[5](Ge[5]N[5]O4)(C[5]C[5]HH)(H)2	Ge[5](N[5]C[5]HH)2(OH)4	C[5](N[5]Ge[5]HH)(C[5]N[5]HH)(H)2	N[5](Ge[5]N[5]O4)(C[5]C[5]HH)(H)2{4|H<1>}	Ge[5](N[5]C[5]HH)2(OH)4{4|H<1>}	C[5](N[5]Ge[5]HH)(C[5]N[5]HH)(H)2{2|H<1>,4|O<2>}	109.3180	0.000	1	109.3180	0.000	1	109.3180	0.000	1	109.3180	0.000	1	109.3180	0.000	1	109.3180	0.000	1
999	402	951	0:SP3_SP-NON_SPD6	N[5]	Ge[5]	H	6:4:1:1:	4:4:2:2:2:2:	4:	Ge[5]-6:C[5]-4:H-1:H-1:	N[5]-4:N[5]-4:O-2:O-2:O-2:O-2:	N[5]-4:	N[5](Ge[5]N[5]O4)(C[5]C[5]HH)(H)2	Ge[5](N[5]C[5]HH)2(OH)4	H(N[5]Ge[5]C[5]H)	N[5](Ge[5]N[5]O4)(C[5]C[5]HH)(H)2{4|H<1>}	Ge[5](N[5]C[5]HH)2(OH)4{4|H<1>}	H(N[5]Ge[5]C[5]H)	109.7610	0.000	1	109.7610	0.000	1	109.7610	0.000	1	109.7610	0.000	1	109.7610	0.000	1	109.7610	0.000	1
999	422	643	0:SP3_SP2_SP3	N[5]	Se[5,5]	C[6a]	4:3:3:1:	3:3:4:3:	4:3:3:	Se[5,5]-4:C[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-3:N[5]-4:N[5]-3:	N[5]-4:C[6a]-3:C[6a]-3:	N[5](Se[5,5]C[5,6a]C[5,6]N[5])(C[5]C[5,6a]O)(C[6a]C[6a]2)(H)	Se[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(N[5]C[6a]C[5]H)(N[5]C[6a]C[5])	C[6a](N[5]Se[5,5]C[5]H)(C[6a]C[6a]H)2	N[5](Se[5,5]C[5,6a]C[5,6]N[5])(C[5]C[5,6a]O)(C[6a]C[6a]2)(H){1|C<2>,2|H<1>,7|C<3>}	Se[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(N[5]C[6a]C[5]H)(N[5]C[6a]C[5]){1|H<1>,1|O<1>,1|O<3>,8|C<3>}	C[6a](N[5]Se[5,5]C[5]H)(C[6a]C[6a]H)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>,4|C<3>}	120.5520	0.000	1	120.5520	0.000	1	120.5520	0.000	1	120.5520	0.000	1	120.5520	0.000	1	120.5520	0.000	1
999	422	818	5:SP3_SP2_SP3	N[5]	Se[5,5]	C[5]	4:3:3:1:	3:3:4:3:	3:4:1:	Se[5,5]-4:C[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-3:N[5]-4:N[5]-3:	C[5,6a]-3:N[5]-4:O-1:	N[5](Se[5,5]C[5,6a]C[5,6]N[5])(C[5]C[5,6a]O)(C[6a]C[6a]2)(H)	Se[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(N[5]C[6a]C[5]H)(N[5]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Se[5,5]C[6a]H)(O)	N[5](Se[5,5]C[5,6a]C[5,6]N[5])(C[5]C[5,6a]O)(C[6a]C[6a]2)(H){1|C<2>,2|H<1>,7|C<3>}	Se[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(N[5]C[6a]C[5]H)(N[5]C[6a]C[5]){1|H<1>,1|O<1>,1|O<3>,8|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Se[5,5]C[6a]H)(O){1|H<1>,1|N<3>,5|C<3>}	112.7020	0.000	1	112.7020	0.000	1	112.7020	0.000	1	112.7020	0.000	1	112.7020	0.000	1	112.7020	0.000	1
999	422	951	0:SP3_SP-NON_SP3	N[5]	Se[5,5]	H	4:3:3:1:	3:3:4:3:	4:	Se[5,5]-4:C[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-3:N[5]-4:N[5]-3:	N[5]-4:	N[5](Se[5,5]C[5,6a]C[5,6]N[5])(C[5]C[5,6a]O)(C[6a]C[6a]2)(H)	Se[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(N[5]C[6a]C[5]H)(N[5]C[6a]C[5])	H(N[5]Se[5,5]C[6a]C[5])	N[5](Se[5,5]C[5,6a]C[5,6]N[5])(C[5]C[5,6a]O)(C[6a]C[6a]2)(H){1|C<2>,2|H<1>,7|C<3>}	Se[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(N[5]C[6a]C[5]H)(N[5]C[6a]C[5]){1|H<1>,1|O<1>,1|O<3>,8|C<3>}	H(N[5]Se[5,5]C[6a]C[5])	93.9041	0.000	1	93.9041	0.000	1	93.9041	0.000	1	93.9041	0.000	1	93.9041	0.000	1	93.9041	0.000	1
999	454	474	5:SP3_SP3_SPD5	N[5]	Ga[4,5]	C[5]	5:4:4:4:	3:3:4:1:1:	4:4:1:1:	Ga[4,5]-5:C[5]-4:C-4:C-4:	O[4,5]-3:O[4,5]-3:N[5]-4:Cl-1:Cl-1:	N[5]-4:C[5]-4:H-1:H-1:	N[5](Ga[4,5]O[4,5]2Cl2)(C[5]C[5]HH)(CH3)2	Ga[4,5](O[4,5]Ga[4,5]C[5])2(N[5]C[5]CC)(Cl)2	C[5](N[5]Ga[4,5]CC)(C[5]O[4,5]HH)(H)2	N[5](Ga[4,5]O[4,5]2Cl2)(C[5]C[5]HH)(CH3)2{1|Ga<5>,1|C<4>,2|H<1>}	Ga[4,5](O[4,5]Ga[4,5]C[5])2(N[5]C[5]CC)(Cl)2{2|Cl<1>,1|C<4>,1|N<4>,6|H<1>}	C[5](N[5]Ga[4,5]CC)(C[5]O[4,5]HH)(H)2{1|Ga<5>,2|Cl<1>,1|O<3>}	103.7490	0.000	1	103.7490	0.000	1	103.7490	0.000	1	103.7490	0.000	1	103.7490	0.000	1	103.7490	0.000	1
999	454	490	0:SP3_SP3_SPD5	N[5]	Ga[4,5]	C	5:4:4:4:	3:3:4:1:1:	4:1:1:1:	Ga[4,5]-5:C[5]-4:C-4:C-4:	O[4,5]-3:O[4,5]-3:N[5]-4:Cl-1:Cl-1:	N[5]-4:H-1:H-1:H-1:	N[5](Ga[4,5]O[4,5]2Cl2)(C[5]C[5]HH)(CH3)2	Ga[4,5](O[4,5]Ga[4,5]C[5])2(N[5]C[5]CC)(Cl)2	C(N[5]Ga[4,5]C[5]C)(H)3	N[5](Ga[4,5]O[4,5]2Cl2)(C[5]C[5]HH)(CH3)2{1|Ga<5>,1|C<4>,2|H<1>}	Ga[4,5](O[4,5]Ga[4,5]C[5])2(N[5]C[5]CC)(Cl)2{2|Cl<1>,1|C<4>,1|N<4>,6|H<1>}	C(N[5]Ga[4,5]C[5]C)(H)3	111.9810	1.393	2	111.9810	1.940	2	111.9810	1.940	2	111.9810	1.940	2	111.9810	1.940	2	111.9810	1.940	2
999	466	466	0:SP3_SP3_SP3	N[5,6,6]	C[6]	C[6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,3x6]-4:C[5]-4:C[6]-4:C[6]-4:	N[5,6,6]-4:C[6]-4:H-1:H-1:	N[5,6,6]-4:C[6]-4:H-1:H-1:	N[5,6,6](C[5,3x6]N[5,6,6]N[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)2	C[6](N[5,6,6]C[5,3x6]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](N[5,6,6]C[5,3x6]C[5]C[6])(C[6]C[6]HH)(H)2	N[5,6,6](C[5,3x6]N[5,6,6]N[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)2{4|C<4>,6|H<1>}	C[6](N[5,6,6]C[5,3x6]C[5]C[6])(C[6]C[6]HH)(H)2{1|N<3>,1|N<4>,2|C<4>,7|H<1>}	C[6](N[5,6,6]C[5,3x6]C[5]C[6])(C[6]C[6]HH)(H)2{1|N<3>,1|N<4>,2|C<4>,7|H<1>}	107.7767	0.399	3	107.7767	0.159	3	107.7767	0.159	3	107.7767	0.159	3	106.1498	3.284	6	106.1498	3.284	6
999	466	466	0:SP3_SP3_SP3	N[5,6,6]	C[6]	C[6]	7:4:4:4:	4:3:1:1:	4:3:1:1:	Nb[3,5,6,6]-7:C[6]-4:C[6]-4:C[5]-4:	N[5,6,6]-4:C[6,6a]-3:H-1:H-1:	N[5,6,6]-4:C[6,6a]-3:H-1:H-1:	N[5,6,6](Nb[3,5,6,6]C[3]2N[5]O[6]2Cl)(C[6]C[6,6a]HH)2(C[5]C[5]HH)	C[6](N[5,6,6]Nb[3,5,6,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(H)2	C[6](N[5,6,6]Nb[3,5,6,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(H)2	N[5,6,6](Nb[3,5,6,6]C[3]2N[5]O[6]2Cl)(C[6]C[6,6a]HH)2(C[5]C[5]HH){2|H<1>,4|C<3>,4|C<4>}	C[6](N[5,6,6]Nb[3,5,6,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(H)2{1|Cl<1>,1|C<4>,1|N<4>,2|O<2>,5|C<3>,5|H<1>}	C[6](N[5,6,6]Nb[3,5,6,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(H)2{1|Cl<1>,1|C<4>,1|N<4>,2|O<2>,5|C<3>,5|H<1>}	104.5230	0.332	3	104.5230	0.110	3	104.5230	0.110	3	104.5230	0.110	3	106.1498	3.284	6	106.1498	3.284	6
999	466	466	6:SP3_SP3_SP3	N[5,3x6]	C[6,6]	C[6,6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-4:	N[5,3x6]-4:C[6,6]-4:H-1:H-1:	N[5,3x6]-4:C[6,6]-4:H-1:H-1:	N[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)2(C[5]C[5]HH)	C[6,6](N[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]CH)(H)2	C[6,6](N[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HH)(H)2	N[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)2(C[5]C[5]HH){1|C<3>,2|C<4>,8|H<1>}	C[6,6](N[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]CH)(H)2{4|C<4>,6|H<1>}	C[6,6](N[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HH)(H)2{4|C<4>,6|H<1>}	108.5860	0.000	1	108.5860	0.000	1	108.5860	0.000	1	108.5860	0.000	1	108.5860	0.000	1	108.4472	1.066	11
999	466	466	6:SP3_SP3_SP3	N[5,6]	C[6]	C[6]	4:3:4:4:	4:4:1:1:	4:4:1:1:	B[5,5a]-4:C[5,5]-3:C[6]-4:C[6]-4:	N[5,6]-4:C[6]-4:H-1:H-1:	N[5,6]-4:C[6]-4:H-1:H-1:	N[5,6](B[5,5a]O[5a]2C[5])(C[5,5]C[5,5]C[5])(C[6]C[6]HH)2	C[6](N[5,6]B[5,5a]C[5,5]C[6])(C[6]C[6]HH)(H)2	C[6](N[5,6]B[5,5a]C[5,5]C[6])(C[6]C[6]HH)(H)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{1|B<4>,1|C<4>,1|N<4>,2|C<3>,2|N<3>,4|H<1>}	C[6](N[5,6]B[5,5a]C[5,5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|O<2>,3|C<3>,4|H<1>}	C[6](N[5,6]B[5,5a]C[5,5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|O<2>,3|C<3>,4|H<1>}	110.1880	0.000	1	110.1880	0.000	1	110.1880	0.000	1	110.1880	0.000	1	108.4333	1.182	10	108.4472	1.066	11
999	466	466	6:SP3_SP3_SP3	N[5,6]	C[6]	C[6]	4:4:4:2:	4:4:1:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:N[5]-2:	N[5,6]-4:C[6]-4:H-1:H-1:	N[5,6]-4:C[6]-4:H-1:H-1:	N[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(N[5]C[5])	C[6](N[5,6]C[5]C[6]N[5])(C[6]O[6]HH)(H)2	C[6](N[5,6]C[5]C[6]N[5])(C[6]O[6]HH)(H)2	N[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(N[5]C[5]){1|O<1>,2|O<2>,5|H<1>}	C[6](N[5,6]C[5]C[6]N[5])(C[6]O[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](N[5,6]C[5]C[6]N[5])(C[6]O[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	107.8180	0.000	1	107.8180	0.000	1	107.8180	0.000	1	107.8180	0.000	1	108.4333	1.182	10	108.4472	1.066	11
999	466	466	6:SP3_SP3_SP3	N[5,6]	C[6]	C[6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	B[5]-4:C[5]-4:C[6]-4:C[6]-4:	N[5,6]-4:C[6]-4:H-1:H-1:	N[5,6]-4:C[6]-4:H-1:H-1:	N[5,6](B[5]N[5]ClH)(C[5]C[5]HH)(C[6]C[6]HH)2	C[6](N[5,6]B[5]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](N[5,6]B[5]C[5]C[6])(C[6]C[6]HH)(H)2	N[5,6](B[5]N[5]ClH)(C[5]C[5]HH)(C[6]C[6]HH)2{1|C<3>,1|C<4>,6|H<1>}	C[6](N[5,6]B[5]C[5]C[6])(C[6]C[6]HH)(H)2{1|Cl<1>,1|N<3>,2|C<4>,7|H<1>}	C[6](N[5,6]B[5]C[5]C[6])(C[6]C[6]HH)(H)2{1|Cl<1>,1|N<3>,2|C<4>,7|H<1>}	107.3280	0.000	1	107.3280	0.000	1	107.3280	0.000	1	108.2909	1.003	8	108.4333	1.182	10	108.4472	1.066	11
999	466	466	6:SP3_SP3_SP3	N[5,6]	C[6]	C[6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	N[5,6]-4:C[6]-4:H-1:H-1:	N[5,6]-4:C[6]-4:H-1:H-1:	N[5,6](C[5]C[5]HH)2(C[6]C[6]HH)2	C[6](N[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[6](N[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	N[5,6](C[5]C[5]HH)2(C[6]C[6]HH)2{1|C<4>,8|H<1>}	C[6](N[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{3|C<4>,8|H<1>}	C[6](N[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{3|C<4>,8|H<1>}	109.0000	0.000	1	109.0000	0.000	1	107.9814	0.589	5	108.2909	1.003	8	108.4333	1.182	10	108.4472	1.066	11
999	466	466	6:SP3_SP3_SP3	N[5,6]	C[6]	C[6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	N[5,6]-4:C[6]-4:H-1:H-1:	N[5,6]-4:C[6]-4:H-1:H-1:	N[5,6](C[5]C[5]HH)2(C[6]C[6]HH)2	C[6](N[5,6]C[5]2C[6])(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5]2C[6])(C[6]N[5,6]HH)(H)2	N[5,6](C[5]C[5]HH)2(C[6]C[6]HH)2{1|N<4>,8|H<1>}	C[6](N[5,6]C[5]2C[6])(C[6]N[5,6]HH)(H)2{5|C<4>,6|H<1>}	C[6](N[5,6]C[5]2C[6])(C[6]N[5,6]HH)(H)2{5|C<4>,6|H<1>}	107.7267	0.594	4	107.7267	0.352	4	107.9814	0.589	5	108.2909	1.003	8	108.4333	1.182	10	108.4472	1.066	11
999	466	466	6:SP3_SP3_SP3	N[5,6]	C[6]	C[6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	Ga[5]-4:C[5]-4:C[6]-4:C[6]-4:	N[5,6]-4:C[6]-4:H-1:H-1:	N[5,6]-4:C[6]-4:H-1:H-1:	N[5,6](Ga[5]Ga[5]N[5]Cl)(C[5]C[5]HH)(C[6]C[6]HH)2	C[6](N[5,6]Ga[5]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](N[5,6]Ga[5]C[5]C[6])(C[6]C[6]HH)(H)2	N[5,6](Ga[5]Ga[5]N[5]Cl)(C[5]C[5]HH)(C[6]C[6]HH)2{1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,1|N<4>,6|H<1>}	C[6](N[5,6]Ga[5]C[5]C[6])(C[6]C[6]HH)(H)2{1|Cl<1>,1|Ga<4>,1|N<3>,2|C<4>,6|H<1>}	C[6](N[5,6]Ga[5]C[5]C[6])(C[6]C[6]HH)(H)2{1|Cl<1>,1|Ga<4>,1|N<3>,2|C<4>,6|H<1>}	109.3130	0.000	1	109.3130	0.000	1	109.5460	0.109	2	108.2909	1.003	8	108.4333	1.182	10	108.4472	1.066	11
999	466	466	6:SP3_SP3_SP3	N[5,6]	C[6]	C[6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	Ga[5]-4:C[5]-4:C[6]-4:C[6]-4:	N[5,6]-4:C[6]-4:H-1:H-1:	N[5,6]-4:C[6]-4:H-1:H-1:	N[5,6](Ga[5]N[5]ClH)(C[5]C[5]HH)(C[6]C[6]HH)2	C[6](N[5,6]Ga[5]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](N[5,6]Ga[5]C[5]C[6])(C[6]C[6]HH)(H)2	N[5,6](Ga[5]N[5]ClH)(C[5]C[5]HH)(C[6]C[6]HH)2{1|C<3>,1|C<4>,6|H<1>}	C[6](N[5,6]Ga[5]C[5]C[6])(C[6]C[6]HH)(H)2{1|Cl<1>,1|N<3>,2|C<4>,7|H<1>}	C[6](N[5,6]Ga[5]C[5]C[6])(C[6]C[6]HH)(H)2{1|Cl<1>,1|N<3>,2|C<4>,7|H<1>}	109.7790	0.000	1	109.7790	0.000	1	109.5460	0.109	2	108.2909	1.003	8	108.4333	1.182	10	108.4472	1.066	11
999	466	474	0:SP3_SP3_SP3	N[5,3x6]	C[6,6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-4:	N[5,3x6]-4:C[6,6]-4:H-1:H-1:	N[5,3x6]-4:C[5]-4:H-1:H-1:	N[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)2(C[5]C[5]HH)	C[6,6](N[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]CH)(H)2	C[5](N[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]HH)(H)2	N[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)2(C[5]C[5]HH){1|C<3>,2|C<4>,8|H<1>}	C[6,6](N[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]CH)(H)2{4|C<4>,6|H<1>}	C[5](N[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,6|H<1>}	115.1760	0.000	1	115.1760	0.000	1	113.3290	6.823	2	113.3290	6.823	2	113.3290	6.823	2	112.5570	9.714	185
999	466	474	0:SP3_SP3_SP3	N[5,3x6]	C[6,6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-4:	N[5,3x6]-4:C[6,6]-4:H-1:H-1:	N[5,3x6]-4:C[5]-4:H-1:H-1:	N[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)2(C[5]C[5]HH)	C[6,6](N[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HH)(H)2	C[5](N[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]HH)(H)2	N[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)2(C[5]C[5]HH){1|C<3>,2|C<4>,8|H<1>}	C[6,6](N[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HH)(H)2{4|C<4>,6|H<1>}	C[5](N[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,6|H<1>}	111.4820	0.000	1	111.4820	0.000	1	113.3290	6.823	2	113.3290	6.823	2	113.3290	6.823	2	112.5570	9.714	185
999	466	474	0:SP3_SP3_SP3	N[5,5,6,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:C[6]-4:	N[5,5,6,6]-4:C[6]-4:H-1:H-1:	N[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	N[5,5,6,6](C[5,5,6]C[5,5,6]C[5a,6]C)(C[5,6]C[5,6]HH)2(C[6]C[6]HH)	C[6](N[5,5,6,6]C[5,5,6]C[5,6]2)(C[6]C[5a,6]HH)(H)2	C[5,6](N[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5,5,6]CH)(H)2	N[5,5,6,6](C[5,5,6]C[5,5,6]C[5a,6]C)(C[5,6]C[5,6]HH)2(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,5|H<1>}	C[6](N[5,5,6,6]C[5,5,6]C[5,6]2)(C[6]C[5a,6]HH)(H)2{2|C<3>,4|C<4>,4|H<1>}	C[5,6](N[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5,5,6]CH)(H)2{1|C<3>,1|O<2>,3|C<4>,4|H<1>}	113.8290	0.000	1	113.8290	0.000	1	113.9430	0.026	2	113.9430	0.026	2	113.9430	0.026	2	112.5570	9.714	185
999	466	474	0:SP3_SP3_SP3	N[5,5,6,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:C[6]-4:	N[5,5,6,6]-4:C[6]-4:H-1:H-1:	N[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	N[5,5,6,6](C[5,5,6]C[5,5,6]C[5a,6]C)(C[5,6]C[5,6]HH)2(C[6]C[6]HH)	C[6](N[5,5,6,6]C[5,5,6]C[5,6]2)(C[6]C[5a,6]HH)(H)2	C[5,6](N[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5,5,6]HH)(H)2	N[5,5,6,6](C[5,5,6]C[5,5,6]C[5a,6]C)(C[5,6]C[5,6]HH)2(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,5|H<1>}	C[6](N[5,5,6,6]C[5,5,6]C[5,6]2)(C[6]C[5a,6]HH)(H)2{2|C<3>,4|C<4>,4|H<1>}	C[5,6](N[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,4|H<1>}	114.0570	0.000	1	114.0570	0.000	1	113.9430	0.026	2	113.9430	0.026	2	113.9430	0.026	2	112.5570	9.714	185
999	466	474	0:SP3_SP3_SP3	N[5,5,6]	C[6]	C[5,5]	5:4:4:4:	4:3:1:1:	4:4:4:1:	In[5,6,6]-5:C[5,5]-4:C[6]-4:C[5]-4:	N[5,5,6]-4:C[6,6a]-3:H-1:H-1:	N[5,5,6]-4:C[5,5]-4:C[5]-4:H-1:	N[5,5,6](In[5,6,6]N[5,5,6]O[6]2Cl)(C[5,5]C[5,5]C[5]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)	C[6](N[5,5,6]In[5,6,6]C[5,5]C[5])(C[6,6a]C[6,6a]C[6a])(H)2	C[5,5](N[5,5,6]In[5,6,6]C[5]C[6])(C[5,5]N[5,5,6]C[5]H)(C[5]C[5]HH)(H)	N[5,5,6](In[5,6,6]N[5,5,6]O[6]2Cl)(C[5,5]C[5,5]C[5]H)(C[6]C[6,6a]HH)(C[5]C[5]HH){3|C<3>,3|C<4>,5|H<1>}	C[6](N[5,5,6]In[5,6,6]C[5,5]C[5])(C[6,6a]C[6,6a]C[6a])(H)2{1|Cl<1>,1|N<4>,2|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[5,5](N[5,5,6]In[5,6,6]C[5]C[6])(C[5,5]N[5,5,6]C[5]H)(C[5]C[5]HH)(H){1|Cl<1>,1|C<3>,2|O<2>,3|C<4>,8|H<1>}	109.3915	2.467	2	109.3915	6.087	2	109.3915	6.087	2	109.3915	6.087	2	109.3915	6.087	2	112.5570	9.714	185
999	466	474	0:SP3_SP3_SP3	N[5,5,6]	C[6]	C[5]	5:4:4:4:	4:3:1:1:	4:4:1:1:	In[5,6,6]-5:C[5,5]-4:C[6]-4:C[5]-4:	N[5,5,6]-4:C[6,6a]-3:H-1:H-1:	N[5,5,6]-4:C[5]-4:H-1:H-1:	N[5,5,6](In[5,6,6]N[5,5,6]O[6]2Cl)(C[5,5]C[5,5]C[5]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)	C[6](N[5,5,6]In[5,6,6]C[5,5]C[5])(C[6,6a]C[6,6a]C[6a])(H)2	C[5](N[5,5,6]In[5,6,6]C[5,5]C[6])(C[5]C[5]HH)(H)2	N[5,5,6](In[5,6,6]N[5,5,6]O[6]2Cl)(C[5,5]C[5,5]C[5]H)(C[6]C[6,6a]HH)(C[5]C[5]HH){3|C<3>,3|C<4>,5|H<1>}	C[6](N[5,5,6]In[5,6,6]C[5,5]C[5])(C[6,6a]C[6,6a]C[6a])(H)2{1|Cl<1>,1|N<4>,2|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[5](N[5,5,6]In[5,6,6]C[5,5]C[6])(C[5]C[5]HH)(H)2{1|Cl<1>,1|C<3>,1|C<4>,1|N<4>,2|O<2>,5|H<1>}	110.0125	0.264	2	110.0125	0.070	2	110.0125	0.070	2	110.0125	0.070	2	110.5745	1.353	6	112.5570	9.714	185
999	466	474	0:SP3_SP3_SP3	N[5,5,6]	C[6]	C[5]	6:4:4:4:	4:3:1:1:	4:4:1:1:	Ga[4x5,6,6]-6:C[6]-4:C[5]-4:C[5]-4:	N[5,5,6]-4:C[6,6a]-3:H-1:H-1:	N[5,5,6]-4:C[5]-4:H-1:H-1:	N[5,5,6](Ga[4x5,6,6]N[5,5,6]N[5,5]2O[6]2)(C[6]C[6,6a]HH)(C[5]C[5]HH)2	C[6](N[5,5,6]Ga[4x5,6,6]C[5]2)(C[6,6a]C[6,6a]C[6a])(H)2	C[5](N[5,5,6]Ga[4x5,6,6]C[5]C[6])(C[5]N[5,5]HH)(H)2	N[5,5,6](Ga[4x5,6,6]N[5,5,6]N[5,5]2O[6]2)(C[6]C[6,6a]HH)(C[5]C[5]HH)2{3|C<3>,5|C<4>,6|H<1>}	C[6](N[5,5,6]Ga[4x5,6,6]C[5]2)(C[6,6a]C[6,6a]C[6a])(H)2{2|C<3>,2|C<4>,2|O<2>,3|N<4>,5|H<1>}	C[5](N[5,5,6]Ga[4x5,6,6]C[5]C[6])(C[5]N[5,5]HH)(H)2{1|C<3>,2|C<4>,2|N<4>,2|O<2>,5|H<1>}	110.8555	1.384	4	110.8555	1.917	4	110.8555	1.917	4	110.8555	1.917	4	110.5745	1.353	6	112.5570	9.714	185
999	466	474	0:SP3_SP3_SP3	N[5,5]	C[6,6]	C[5]	4:4:4:4:	4:4:4:1:	4:3:1:1:	B[5,5]-4:C[6,6]-4:C[5]-4:C[5]-4:	N[5,5]-4:C[6,6]-4:C[6,6]-4:H-1:	N[5,5]-4:C[5]-3:H-1:H-1:	N[5,5](B[5,5]C[3]O[5]2)(C[6,6]C[6,6]2H)(C[5]C[5]HH)2	C[6,6](N[5,5]B[5,5]C[5]2)(C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(H)	C[5](N[5,5]B[5,5]C[6,6]C[5])(C[5]O[5]O)(H)2	N[5,5](B[5,5]C[3]O[5]2)(C[6,6]C[6,6]2H)(C[5]C[5]HH)2{1|O<2>,2|O<1>,4|C<4>,4|H<1>}	C[6,6](N[5,5]B[5,5]C[5]2)(C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(H){2|C<3>,2|O<2>,3|C<4>,6|H<1>}	C[5](N[5,5]B[5,5]C[6,6]C[5])(C[5]O[5]O)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	112.6762	1.043	6	112.6762	1.087	6	112.6762	1.087	6	112.7004	1.126	8	112.7004	1.126	8	112.5570	9.714	185
999	466	474	0:SP3_SP3_SP3	N[5,5]	C[6,6]	C[5]	4:4:4:4:	4:4:4:1:	4:3:1:1:	C[6,6]-4:B[5,5]-4:C[5]-4:C[5]-4:	N[5,5]-4:C[6,6]-4:C[6,6]-4:H-1:	N[5,5]-4:C[5]-3:H-1:H-1:	N[5,5](C[6,6]C[6,6]2H)(B[5,5]O[5]2C)(C[5]C[5]HH)2	C[6,6](N[5,5]B[5,5]C[5]2)(C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(H)	C[5](N[5,5]B[5,5]C[6,6]C[5])(C[5]O[5]O)(H)2	N[5,5](C[6,6]C[6,6]2H)(B[5,5]O[5]2C)(C[5]C[5]HH)2{2|O<1>,3|C<4>,3|H<1>}	C[6,6](N[5,5]B[5,5]C[5]2)(C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(H){2|C<4>,2|O<2>,3|C<3>,6|H<1>}	C[5](N[5,5]B[5,5]C[6,6]C[5])(C[5]O[5]O)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	112.7730	1.558	2	112.7730	2.429	2	112.7730	2.429	2	112.7004	1.126	8	112.7004	1.126	8	112.5570	9.714	185
999	466	474	0:SP3_SP3_SP3	N[5,5]	C[6]	C[5,5,6]	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[5,5,6]-4:C[5,5,6]-4:C[6]-4:H-1:	N[5,5]-4:C[6]-4:C[6]-4:H-1:	N[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	N[5,5](C[5,5,6]C[5,6]2H)2(C[6]C[6]2H)(H)	C[6](N[5,5]C[5,5,6]2H)(C[6]C[6]HH)2(H)	C[5,5,6](N[5,5]C[5,5,6]C[6]H)(C[5,6]C[5,6]HH)2(H)	N[5,5](C[5,5,6]C[5,6]2H)2(C[6]C[6]2H)(H){12|H<1>,2|C<4>}	C[6](N[5,5]C[5,5,6]2H)(C[6]C[6]HH)2(H){5|C<4>,6|H<1>}	C[5,5,6](N[5,5]C[5,5,6]C[6]H)(C[5,6]C[5,6]HH)2(H){2|C<4>,6|H<1>}	118.0830	3.164	2	118.0830	10.008	2	118.0830	10.008	2	118.0830	10.008	2	118.0830	10.008	2	112.5570	9.714	185
999	466	474	0:SP3_SP3_SP3	N[5,6,6]	C[3x6]	C[5]	3:4:4:1:	4:4:4:1:	4:4:3:1:	N[5,6,6]-3:C[5]-4:C[3x6]-4:H-1:	N[5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	N[5,6,6]-4:C[5,5,6]-4:C[6a]-3:H-1:	N[5,6,6](N[5,6,6]C[5,5,6]C[3x6])(C[5]C[5,5,6]C[6a]H)(C[3x6]C[6,6]2H)(H)	C[3x6](N[5,6,6]N[5,6,6]C[5]H)(C[6,6]C[6,6]HH)2(H)	C[5](N[5,6,6]N[5,6,6]C[3x6]H)(C[5,5,6]C[5,5,6]2H)(C[6a]C[6a]2)(H)	N[5,6,6](N[5,6,6]C[5,5,6]C[3x6])(C[5]C[5,5,6]C[6a]H)(C[3x6]C[6,6]2H)(H){2|C<3>,4|C<4>,7|H<1>}	C[3x6](N[5,6,6]N[5,6,6]C[5]H)(C[6,6]C[6,6]HH)2(H){1|C<3>,3|C<4>,5|H<1>}	C[5](N[5,6,6]N[5,6,6]C[3x6]H)(C[5,5,6]C[5,5,6]2H)(C[6a]C[6a]2)(H){2|C<3>,5|H<1>,6|C<4>}	120.6570	0.000	1	120.6570	0.000	1	120.6570	0.000	1	120.6570	0.000	1	117.0720	25.704	2	112.5570	9.714	185
999	466	474	0:SP3_SP3_SP3	N[5,6,6]	C[3x6]	C[5]	6:4:4:1:	4:4:4:1:	4:3:1:1:	Ga[3x5,3x6]-6:C[3x6]-4:C[5]-4:H-1:	N[5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	N[5,6,6]-4:C[5]-3:H-1:H-1:	N[5,6,6](Ga[3x5,3x6]N[5,6,6]2O[5]3)(C[3x6]C[6,6]2H)(C[5]C[5]HH)(H)	C[3x6](N[5,6,6]Ga[3x5,3x6]C[5]H)(C[6,6]C[3x6]HH)2(H)	C[5](N[5,6,6]Ga[3x5,3x6]C[3x6]H)(C[5]O[5]O)(H)2	N[5,6,6](Ga[3x5,3x6]N[5,6,6]2O[5]3)(C[3x6]C[6,6]2H)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,4|C<4>,6|H<1>}	C[3x6](N[5,6,6]Ga[3x5,3x6]C[5]H)(C[6,6]C[3x6]HH)2(H){1|C<3>,1|C<4>,2|N<4>,3|O<2>,4|H<1>}	C[5](N[5,6,6]Ga[3x5,3x6]C[3x6]H)(C[5]O[5]O)(H)2{1|H<1>,2|C<4>,2|N<4>,2|O<2>}	113.4870	0.000	1	113.4870	0.000	1	113.4870	0.000	1	113.4870	0.000	1	117.0720	25.704	2	112.5570	9.714	185
999	466	474	0:SP3_SP3_SP3	N[5,6,6]	C[6]	C[5,5,6,6]	4:4:4:1:	4:4:4:1:	4:3:4:4:	C[5,5,6,6]-4:C[5,3x6]-4:C[6]-4:H-1:	N[5,6,6]-4:C[6]-4:C-4:H-1:	N[5,6,6]-4:C[5,6,6]-3:C[6,6]-4:C[5,5,6]-4:	N[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]C[6,6])(C[5,3x6]C[3x6]C[5,6]H)(C[6]C[6]CH)(H)	C[6](N[5,6,6]C[5,5,6,6]C[5,3x6]H)(C[6]C[6]HH)(CH3)(H)	C[5,5,6,6](N[5,6,6]C[5,3x6]C[6]H)(C[5,6,6]C[5,6,6]C[6])(C[6,6]C[6,6]C[6]H)(C[5,5,6]C[5,6]2H)	N[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]C[6,6])(C[5,3x6]C[3x6]C[5,6]H)(C[6]C[6]CH)(H){1|C<3>,5|C<4>,7|H<1>}	C[6](N[5,6,6]C[5,5,6,6]C[5,3x6]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,3|H<1>,4|C<4>}	C[5,5,6,6](N[5,6,6]C[5,3x6]C[6]H)(C[5,6,6]C[5,6,6]C[6])(C[6,6]C[6,6]C[6]H)(C[5,5,6]C[5,6]2H){1|C<3>,1|O<2>,6|C<4>,9|H<1>}	125.9850	0.247	2	126.0960	0.068	3	126.0960	0.068	3	126.0960	0.068	3	126.0960	0.068	3	112.5570	9.714	185
999	466	474	0:SP3_SP3_SP3	N[5,6,6]	C[6]	C[5,5,6,6]	4:4:4:1:	4:4:4:1:	4:3:4:4:	C[5,5,6,6]-4:C[5,3x6]-4:C[6]-4:H-1:	N[5,6,6]-4:C[6]-4:C-4:H-1:	N[5,6,6]-4:C[5,6,6]-3:C[6,6]-4:C[5,5,6]-4:	N[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]C[6,6])(C[5,3x6]C[3x6]C[5,6]H)(C[6]C[6]CH)(H)	C[6](N[5,6,6]C[5,5,6,6]C[5,3x6]H)(C[6]C[6]HH)(CH3)(H)	C[5,5,6,6](N[5,6,6]C[5,3x6]C[6]H)(C[5,6,6]C[5,6,6]C[6])(C[6,6]C[6,6]C[6]H)(C[5,5,6]C[5,6]2H)	N[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]C[6,6])(C[5,3x6]C[3x6]C[5,6]H)(C[6]C[6]CH)(H){1|C<3>,5|C<4>,7|H<1>}	C[6](N[5,6,6]C[5,5,6,6]C[5,3x6]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,3|H<1>,4|C<4>}	C[5,5,6,6](N[5,6,6]C[5,3x6]C[6]H)(C[5,6,6]C[5,6,6]C[6])(C[6,6]C[6,6]C[6]H)(C[5,5,6]C[5,6]2H){1|O<2>,2|C<3>,5|C<4>,9|H<1>}	126.3180	0.000	1	126.0960	0.068	3	126.0960	0.068	3	126.0960	0.068	3	126.0960	0.068	3	112.5570	9.714	185
999	466	474	0:SP3_SP3_SP3	N[5,6,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,5,4x6]-4:C[5,6]-4:C[6]-4:H-1:	N[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:N[5,6,6]-4:H-1:H-1:	N[5,6,6](C[5,5,4x6]C[5,5,6,6]C[5,3x6]C[6])(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(H)	C[6](N[5,6,6]C[5,5,4x6]C[5,6]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,5,6]C[5,5,6,6]C[5,6]H)(N[5,6,6]C[5,5,4x6]C[6]H)(H)2	N[5,6,6](C[5,5,4x6]C[5,5,6,6]C[5,3x6]C[6])(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(H){5|C<4>,6|H<1>}	C[6](N[5,6,6]C[5,5,4x6]C[5,6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6,6]C[5,6]H)(N[5,6,6]C[5,5,4x6]C[6]H)(H)2{4|H<1>,5|C<4>}	109.1920	0.000	1	109.1920	0.000	1	109.1920	0.000	1	109.1920	0.000	1	109.1920	0.000	1	112.5570	9.714	185
999	466	474	0:SP3_SP3_SP3	N[5,6,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,3x6]-4:C[5]-4:C[6]-4:C[6]-4:	N[5,6,6]-4:C[6]-4:H-1:H-1:	N[5,6,6]-4:C[5]-4:H-1:H-1:	N[5,6,6](C[5,3x6]N[5,6,6]N[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)2	C[6](N[5,6,6]C[5,3x6]C[5]C[6])(C[6]C[6]HH)(H)2	C[5](N[5,6,6]C[5,3x6]C[6]2)(C[5]N[5,6,6]HH)(H)2	N[5,6,6](C[5,3x6]N[5,6,6]N[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)2{4|C<4>,6|H<1>}	C[6](N[5,6,6]C[5,3x6]C[5]C[6])(C[6]C[6]HH)(H)2{1|N<3>,1|N<4>,2|C<4>,7|H<1>}	C[5](N[5,6,6]C[5,3x6]C[6]2)(C[5]N[5,6,6]HH)(H)2{1|N<3>,4|C<4>,5|H<1>}	112.4627	2.301	8	112.4627	5.294	8	112.4627	5.294	8	112.4627	5.294	8	111.1888	6.281	14	112.5570	9.714	185
999	466	474	0:SP3_SP3_SP3	N[5,6,6]	C[6]	C[5]	7:4:4:4:	4:3:1:1:	4:4:1:1:	Nb[3,5,6,6]-7:C[6]-4:C[6]-4:C[5]-4:	N[5,6,6]-4:C[6,6a]-3:H-1:H-1:	N[5,6,6]-4:C[5]-4:H-1:H-1:	N[5,6,6](Nb[3,5,6,6]C[3]2N[5]O[6]2Cl)(C[6]C[6,6a]HH)2(C[5]C[5]HH)	C[6](N[5,6,6]Nb[3,5,6,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(H)2	C[5](N[5,6,6]Nb[3,5,6,6]C[6]2)(C[5]N[5]HH)(H)2	N[5,6,6](Nb[3,5,6,6]C[3]2N[5]O[6]2Cl)(C[6]C[6,6a]HH)2(C[5]C[5]HH){2|H<1>,4|C<3>,4|C<4>}	C[6](N[5,6,6]Nb[3,5,6,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(H)2{1|Cl<1>,1|C<4>,1|N<4>,2|O<2>,5|C<3>,5|H<1>}	C[5](N[5,6,6]Nb[3,5,6,6]C[6]2)(C[5]N[5]HH)(H)2{1|Cl<1>,2|C<4>,2|O<2>,4|C<3>,4|H<1>}	109.4902	1.691	6	109.4902	2.859	6	109.4902	2.859	6	109.4902	2.859	6	111.1888	6.281	14	112.5570	9.714	185
999	466	474	0:SP3_SP3_SP3	N[5,6]	C[6,6]	C[5]	4:4:4:4:	4:3:4:1:	4:4:1:1:	C[5,5,6]-4:C[6,6]-4:C[5]-4:C-4:	N[5,6]-4:C[5,6]-3:C[6,6]-4:H-1:	N[5,6]-4:C[5]-4:H-1:H-1:	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CH3)	C[6,6](N[5,6]C[5,5,6]C[5]C)(C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(H)	C[5](N[5,6]C[5,5,6]C[6,6]C)(C[5]C[5,5]CH)(H)2	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CH3){1|C<3>,3|H<1>,7|C<4>}	C[6,6](N[5,6]C[5,5,6]C[5]C)(C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(H){1|O<2>,7|C<4>,7|H<1>}	C[5](N[5,6]C[5,5,6]C[6,6]C)(C[5]C[5,5]CH)(H)2{1|C<3>,3|C<4>,3|H<1>}	108.4530	0.000	1	108.4530	0.000	1	108.4530	0.000	1	108.4530	0.000	1	108.4530	0.000	1	112.5570	9.714	185
999	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:2:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:O[5,6]-2:C[6]-4:C-4:	N[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:N[5,6]-4:C[6]-4:H-1:	N[5,6](C[5,6]C[5,6,6]C[6]H)(O[5,6]C[5,6,6])(C[6]C[6,6]HH)(CH3)	C[6](N[5,6]C[5,6]O[5,6]C)(C[6,6]C[6,6]C[6]H)(H)2	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(N[5,6]O[5,6]C[6]C)(C[6]C[5a,6]HH)(H)	N[5,6](C[5,6]C[5,6,6]C[6]H)(O[5,6]C[5,6,6])(C[6]C[6,6]HH)(CH3){2|C<3>,3|C<4>,4|H<1>}	C[6](N[5,6]C[5,6]O[5,6]C)(C[6,6]C[6,6]C[6]H)(H)2{4|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(N[5,6]O[5,6]C[6]C)(C[6]C[5a,6]HH)(H){3|C<3>,3|C<4>,3|H<1>}	115.6150	0.000	1	115.6150	0.000	1	115.6150	0.000	1	115.6150	0.000	1	114.4057	1.318	3	112.5570	9.714	185
999	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	5:4:4:1:	4:3:1:1:	4:4:4:1:	In[5,6]-5:C[5,6]-4:C[6]-4:H-1:	N[5,6]-4:C[6,6a]-3:H-1:H-1:	N[5,6]-4:C[5,6]-4:C[6]-4:H-1:	N[5,6](In[5,6]N[5]O[6]Cl2)(C[5,6]C[5,6]C[6]H)(C[6]C[6,6a]HH)(H)	C[6](N[5,6]In[5,6]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[5,6](N[5,6]In[5,6]C[6]H)(C[5,6]C[6]N[5]H)(C[6]C[6]HH)(H)	N[5,6](In[5,6]N[5]O[6]Cl2)(C[5,6]C[5,6]C[6]H)(C[6]C[6,6a]HH)(H){2|C<3>,3|H<1>,4|C<4>}	C[6](N[5,6]In[5,6]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(H)2{2|Cl<1>,1|N<4>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](N[5,6]In[5,6]C[6]H)(C[5,6]C[6]N[5]H)(C[6]C[6]HH)(H){2|Cl<1>,1|C<3>,1|O<2>,3|C<4>,6|H<1>}	113.8010	0.665	2	113.8010	0.442	2	113.8010	0.442	2	113.8010	0.442	2	114.4057	1.318	3	112.5570	9.714	185
999	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	3:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6a]-3:C[6]-4:C[5]-4:C[5]-4:	N[5,6]-4:B[5,6]-4:F-1:F-1:	N[5,6]-4:C[5]-4:H-1:H-1:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[6]B[5,6]FF)(C[5]C[5]HH)2	C[6](N[5,6]C[6,6a]C[5]2)(B[5,6]O[5]2O[6])(F)2	C[5](N[5,6]C[6,6a]C[5]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[6,6a]C[6,6a]C[6a])(C[6]B[5,6]FF)(C[5]C[5]HH)2{2|C<3>,3|O<2>,5|H<1>}	C[6](N[5,6]C[6,6a]C[5]2)(B[5,6]O[5]2O[6])(F)2{2|C<3>,4|C<4>,4|H<1>}	C[5](N[5,6]C[6,6a]C[5]C[6])(C[5]C[5]HH)(H)2{1|B<4>,2|C<3>,2|F<1>,4|H<1>}	109.9880	0.478	2	109.9880	0.228	2	109.9880	0.228	2	109.9880	0.228	2	112.2447	6.346	129	112.5570	9.714	185
999	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:1:	4:3:1:1:	4:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:C[6]-3:H-1:H-1:	N[5,6]-4:C[5]-4:H-1:H-1:	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](N[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]C)(H)2	C[5](N[5,6]C[5,6,6]C[6]H)(C[5]C[5,5,6]HH)(H)2	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](N[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]C)(H)2{4|C<4>,4|H<1>}	C[5](N[5,6]C[5,6,6]C[6]H)(C[5]C[5,5,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	112.3461	0.630	53	112.3461	0.397	53	112.3461	0.397	53	112.4371	0.617	57	112.2447	6.346	129	112.5570	9.714	185
999	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:1:	4:3:1:1:	4:4:1:1:	C[5,6,6]-4:C[6]-4:C[5]-4:H-1:	N[5,6]-4:C[6,6a]-3:H-1:H-1:	N[5,6]-4:C[5]-4:H-1:H-1:	N[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H)	C[6](N[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[5](N[5,6]C[5,6,6]C[6]H)(C[5]C[5,6,6]HH)(H)2	N[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](N[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(H)2{2|C<3>,3|C<4>,4|H<1>}	C[5](N[5,6]C[5,6,6]C[6]H)(C[5]C[5,6,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	113.4160	0.000	1	113.4160	0.000	1	112.8973	0.462	3	112.4371	0.617	57	112.2447	6.346	129	112.5570	9.714	185
999	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:1:	4:3:1:1:	4:4:1:1:	C[5,6,6]-4:C[6]-4:C[5]-4:H-1:	N[5,6]-4:C[6,6a]-3:H-1:H-1:	N[5,6]-4:C[5]-4:H-1:H-1:	N[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H)	C[6](N[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[5](N[5,6]C[5,6,6]C[6]H)(C[5]C[5,6,6]HO)(H)2	N[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](N[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(H)2{2|C<3>,3|C<4>,4|H<1>}	C[5](N[5,6]C[5,6,6]C[6]H)(C[5]C[5,6,6]HO)(H)2{1|C<4>,3|C<3>,3|H<1>}	112.6380	0.721	2	112.6380	0.520	2	112.8973	0.462	3	112.4371	0.617	57	112.2447	6.346	129	112.5570	9.714	185
999	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:1:	4:3:1:1:	4:4:1:1:	C[5,6,6]-4:C[6]-4:C[5]-4:O-1:	N[5,6]-4:C[6,6a]-3:H-1:H-1:	N[5,6]-4:C[5]-4:H-1:H-1:	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(O)	C[6](N[5,6]C[5,6,6]C[5]O)(C[6,6a]C[6,6a]C[6a])(H)2	C[5](N[5,6]C[5,6,6]C[6]O)(C[5]C[5,6]HH)(H)2	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(O){1|C<4>,3|C<3>,3|H<1>}	C[6](N[5,6]C[5,6,6]C[5]O)(C[6,6a]C[6,6a]C[6a])(H)2{2|C<4>,3|C<3>,4|H<1>}	C[5](N[5,6]C[5,6,6]C[6]O)(C[5]C[5,6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	115.8820	0.000	1	115.8820	0.000	1	115.8820	0.000	1	112.4371	0.617	57	112.2447	6.346	129	112.5570	9.714	185
999	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,3x6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5,6]-4:H-1:H-1:	N[5,6](C[5,3x6]C[5,5,6,6]C[3x6]H)(C[5]C[5,6]HH)(C[6]C[6]HH)(H)	C[6](N[5,6]C[5,3x6]C[5]H)(C[6]C[6]HH)(H)2	C[5](C[5,6]C[5,5,6,6]C[6]H)(N[5,6]C[5,3x6]C[6]H)(H)2	N[5,6](C[5,3x6]C[5,5,6,6]C[3x6]H)(C[5]C[5,6]HH)(C[6]C[6]HH)(H){2|C<3>,3|H<1>,4|C<4>}	C[6](N[5,6]C[5,3x6]C[5]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[5](C[5,6]C[5,5,6,6]C[6]H)(N[5,6]C[5,3x6]C[6]H)(H)2{1|C<3>,1|O<1>,3|H<1>,4|C<4>}	118.3120	0.000	1	118.3120	0.000	1	118.3120	0.000	1	112.9047	6.308	15	112.2447	6.346	129	112.5570	9.714	185
999	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,3x6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:C[6]-4:H-1:H-1:	N[5,6]-4:C[5]-4:H-1:H-1:	N[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](N[5,6]C[5,3x6]C[5]H)(C[6]C[6]HH)(H)2	C[5](N[5,6]C[5,3x6]C[6]H)(C[5]C[5,6]HH)(H)2	N[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,7|H<1>}	C[6](N[5,6]C[5,3x6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5](N[5,6]C[5,3x6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	109.2190	0.000	1	109.2190	0.000	1	109.2190	0.000	1	112.9047	6.308	15	112.2447	6.346	129	112.5570	9.714	185
999	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:C[6]-4:H-1:H-1:	N[5,6]-4:C[5]-4:H-1:H-1:	N[5,6](C[5,6,6]C[3x6]N[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](N[5,6]C[5,6,6]C[5]H)(C[6]N[6,6]HH)(H)2	C[5](N[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]CH)(H)2	N[5,6](C[5,6,6]C[3x6]N[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|N<3>,1|N<4>,3|C<4>,3|H<1>}	C[6](N[5,6]C[5,6,6]C[5]H)(C[6]N[6,6]HH)(H)2{1|N<3>,3|H<1>,4|C<4>}	C[5](N[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]CH)(H)2{2|H<1>,4|C<4>}	109.8070	0.000	1	109.8070	0.000	1	109.8070	0.000	1	112.9047	6.308	15	112.2447	6.346	129	112.5570	9.714	185
999	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:C[6]-4:H-1:H-1:	N[5,6]-4:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](N[5,6]C[5,6]C[5]H)(C[6]O[6]HH)(H)2	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2	N[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,7|H<1>}	C[6](N[5,6]C[5,6]C[5]H)(C[6]O[6]HH)(H)2{2|H<1>,4|C<4>}	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2{3|C<4>,4|H<1>}	115.8710	0.000	1	115.8710	0.000	1	113.0193	3.249	12	112.9047	6.308	15	112.2447	6.346	129	112.5570	9.714	185
999	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:C[6]-4:H-1:H-1:	N[5,6]-4:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){3|C<4>,6|H<1>}	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2{3|C<4>,5|H<1>}	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2{2|C<4>,5|H<1>}	112.3750	0.000	1	112.3750	0.000	1	113.0193	3.249	12	112.9047	6.308	15	112.2447	6.346	129	112.5570	9.714	185
999	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:C[6]-4:H-1:H-1:	N[5,6]-4:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,3|O<2>,5|H<1>}	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2{1|O<2>,2|C<4>,4|H<1>}	115.9310	0.000	2	115.9310	0.000	2	113.0193	3.249	12	112.9047	6.308	15	112.2447	6.346	129	112.5570	9.714	185
999	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:C[6]-4:H-1:H-1:	N[5,6]-4:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](N[5,6]C[5,6]C[5]H)(C[6]O[6]CH)(H)2	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,7|H<1>}	C[6](N[5,6]C[5,6]C[5]H)(C[6]O[6]CH)(H)2{3|C<4>,3|H<1>}	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	112.4950	0.000	1	112.4950	0.000	1	113.0193	3.249	12	112.9047	6.308	15	112.2447	6.346	129	112.5570	9.714	185
999	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:C[6]-4:H-1:H-1:	N[5,6]-4:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2{1|C<4>,2|C<3>,4|H<1>}	112.3370	0.000	1	112.3370	0.000	1	113.0193	3.249	12	112.9047	6.308	15	112.2447	6.346	129	112.5570	9.714	185
999	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:C[6]-4:H-1:H-1:	N[5,6]-4:C[5]-4:H-1:H-1:	N[5,6](C[5,6]N[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](N[5,6]C[5,6]C[6]H)(C[5]N[5,6]HH)(H)2	N[5,6](C[5,6]N[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,4|H<1>}	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,6|H<1>}	C[5](N[5,6]C[5,6]C[6]H)(C[5]N[5,6]HH)(H)2{2|C<4>,4|H<1>}	111.8820	0.589	6	111.8820	0.347	6	113.0193	3.249	12	112.9047	6.308	15	112.2447	6.346	129	112.5570	9.714	185
999	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:C[6]-4:H-1:H-1:	N[5,6]-4:C[5]-4:C-4:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCHH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,7|H<1>}	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCHH)(H){1|C<3>,2|C<4>,4|H<1>}	116.8075	0.258	2	116.8075	0.067	2	116.5013	0.315	3	116.5013	0.315	3	112.2447	6.346	129	112.5570	9.714	185
999	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:C[6]-4:H-1:H-1:	N[5,6]-4:C[5]-4:C-4:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<4>,8|H<1>}	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{3|H<1>,5|C<4>}	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(H){2|C<4>,5|H<1>}	115.8890	0.000	1	115.8890	0.000	1	116.5013	0.315	3	116.5013	0.315	3	112.2447	6.346	129	112.5570	9.714	185
999	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:C[6]-4:C-4:H-1:	N[5,6]-4:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCCH)(H)	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H){2|C<4>,7|H<1>}	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCCH)(H){3|C<4>,5|H<1>}	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{3|C<4>,4|H<1>}	116.8290	0.000	1	116.8290	0.000	1	121.9295	52.030	2	121.9295	52.030	2	112.2447	6.346	129	112.5570	9.714	185
999	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:C[6]-4:C-4:H-1:	N[5,6]-4:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHHO)(H)	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<4>,8|H<1>}	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHHO)(H){3|C<4>,5|H<1>}	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{3|C<4>,4|H<1>}	127.0300	0.000	1	127.0300	0.000	1	121.9295	52.030	2	121.9295	52.030	2	112.2447	6.346	129	112.5570	9.714	185
999	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:C[6]-4:C-4:H-1:	N[5,6]-4:C[5]-4:C-4:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]CH)(H)	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(H)	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CHHO)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]CH)(H){1|C<4>,2|O<2>,6|H<1>}	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(H){4|C<4>,4|H<1>}	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CHHO)(H){1|O<2>,3|C<4>,3|H<1>}	120.1090	0.000	1	120.1090	0.000	1	120.1090	0.000	1	120.1090	0.000	1	112.2447	6.346	129	112.5570	9.714	185
999	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:1:	4:4:4:4:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:C[6]-4:C-4:C-4:	N[5,6]-4:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|C<4>,8|H<1>}	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2{1|O<2>,3|C<4>,4|H<1>}	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{3|H<1>,4|C<4>}	117.2180	0.000	1	117.2180	0.000	1	117.8835	0.886	2	117.8835	0.886	2	112.2447	6.346	129	112.5570	9.714	185
999	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:1:	4:4:4:4:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:C[6]-4:C-4:C-4:	N[5,6]-4:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|C<4>,2|O<2>,6|H<1>}	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2{1|O<2>,3|C<4>,4|H<1>}	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2{1|O<2>,2|H<1>,4|C<4>}	118.5490	0.000	1	118.5490	0.000	1	117.8835	0.886	2	117.8835	0.886	2	112.2447	6.346	129	112.5570	9.714	185
999	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:2:	4:4:1:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:N[5]-2:	N[5,6]-4:C[6]-4:H-1:H-1:	N[5,6]-4:C[5]-4:H-1:H-1:	N[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(N[5]C[5])	C[6](N[5,6]C[5]C[6]N[5])(C[6]O[6]HH)(H)2	C[5](N[5,6]C[6]2N[5])(C[5]C[5]HO)(H)2	N[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(N[5]C[5]){1|O<1>,2|O<2>,5|H<1>}	C[6](N[5,6]C[5]C[6]N[5])(C[6]O[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5](N[5,6]C[6]2N[5])(C[5]C[5]HO)(H)2{1|O<1>,2|C<4>,4|H<1>}	113.0785	0.066	2	113.0785	0.004	2	113.0785	0.004	2	113.0785	0.004	2	112.2447	6.346	129	112.5570	9.714	185
999	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:4:	3:4:1:1:	4:4:1:1:	C[6]-4:B[6]-4:C[5]-4:C[5]-4:	C[6,6a]-3:N[5,6]-4:H-1:H-1:	N[5,6]-4:C[5]-4:H-1:H-1:	N[5,6](C[6]C[6,6a]HH)(B[6]N[6]FF)(C[5]C[5]HH)2	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]B[6]C[5]2)(H)2	C[5](N[5,6]B[6]C[5]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[6]C[6,6a]HH)(B[6]N[6]FF)(C[5]C[5]HH)2{3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]B[6]C[5]2)(H)2{1|N<3>,2|C<3>,2|C<4>,2|F<1>,5|H<1>}	C[5](N[5,6]B[6]C[5]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,2|F<1>,6|H<1>}	110.5125	0.641	2	110.5125	0.411	2	110.5125	0.411	2	110.4487	0.546	4	112.2447	6.346	129	112.5570	9.714	185
999	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:4:	3:4:1:1:	4:4:1:1:	C[6]-4:Ga[6]-4:C[5]-4:C[5]-4:	C[6,6a]-3:N[5,6]-4:H-1:H-1:	N[5,6]-4:C[5]-4:H-1:H-1:	N[5,6](C[6]C[6,6a]HH)(Ga[6]O[6]ClO)(C[5]C[5]2H)(C[5]C[5]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]Ga[6]C[5]2)(H)2	C[5](N[5,6]Ga[6]C[5]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[6]C[6,6a]HH)(Ga[6]O[6]ClO)(C[5]C[5]2H)(C[5]C[5]HH){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]Ga[6]C[5]2)(H)2{1|Cl<1>,2|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[5](N[5,6]Ga[6]C[5]C[6])(C[5]C[5]HH)(H)2{1|Cl<1>,1|C<3>,1|C<4>,2|O<2>,5|H<1>}	111.1630	0.000	1	111.1630	0.000	1	111.1630	0.000	1	110.4487	0.546	4	112.2447	6.346	129	112.5570	9.714	185
999	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:4:	3:4:1:1:	4:4:1:1:	C[6]-4:In[6]-4:C[5]-4:C[5]-4:	C[6,6a]-3:N[5,6]-4:H-1:H-1:	N[5,6]-4:C[5]-4:H-1:H-1:	N[5,6](C[6]C[6,6a]HH)(In[6]O[6]IO)(C[5]C[5]2H)(C[5]C[5]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]In[6]C[5]2)(H)2	C[5](N[5,6]In[6]C[5]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[6]C[6,6a]HH)(In[6]O[6]IO)(C[5]C[5]2H)(C[5]C[5]HH){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]In[6]C[5]2)(H)2{1|I<1>,2|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[5](N[5,6]In[6]C[5]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|I<1>,2|O<2>,5|H<1>}	109.6070	0.000	1	109.6070	0.000	1	109.6070	0.000	1	110.4487	0.546	4	112.2447	6.346	129	112.5570	9.714	185
999	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:4:	3:4:1:1:	4:4:4:1:	C[6]-4:Ga[6]-4:C[5]-4:C[5]-4:	C[6,6a]-3:N[5,6]-4:H-1:H-1:	N[5,6]-4:C[5]-4:C[5]-4:H-1:	N[5,6](C[6]C[6,6a]HH)(Ga[6]O[6]ClO)(C[5]C[5]2H)(C[5]C[5]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]Ga[6]C[5]2)(H)2	C[5](N[5,6]Ga[6]C[5]C[6])(C[5]C[5]N[5]H)(C[5]C[5]HH)(H)	N[5,6](C[6]C[6,6a]HH)(Ga[6]O[6]ClO)(C[5]C[5]2H)(C[5]C[5]HH){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]Ga[6]C[5]2)(H)2{1|Cl<1>,2|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[5](N[5,6]Ga[6]C[5]C[6])(C[5]C[5]N[5]H)(C[5]C[5]HH)(H){1|Cl<1>,1|C<3>,2|O<2>,3|C<4>,8|H<1>}	108.5950	0.000	1	108.5950	0.000	1	108.5950	0.000	1	108.2800	0.198	2	112.2447	6.346	129	112.5570	9.714	185
999	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:4:	3:4:1:1:	4:4:4:1:	C[6]-4:In[6]-4:C[5]-4:C[5]-4:	C[6,6a]-3:N[5,6]-4:H-1:H-1:	N[5,6]-4:C[5]-4:C[5]-4:H-1:	N[5,6](C[6]C[6,6a]HH)(In[6]O[6]IO)(C[5]C[5]2H)(C[5]C[5]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]In[6]C[5]2)(H)2	C[5](N[5,6]In[6]C[5]C[6])(C[5]C[5]N[5]H)(C[5]C[5]HH)(H)	N[5,6](C[6]C[6,6a]HH)(In[6]O[6]IO)(C[5]C[5]2H)(C[5]C[5]HH){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]In[6]C[5]2)(H)2{1|I<1>,2|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[5](N[5,6]In[6]C[5]C[6])(C[5]C[5]N[5]H)(C[5]C[5]HH)(H){1|C<3>,1|I<1>,2|O<2>,3|C<4>,8|H<1>}	107.9650	0.000	1	107.9650	0.000	1	107.9650	0.000	1	108.2800	0.198	2	112.2447	6.346	129	112.5570	9.714	185
999	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	B[5]-4:C[5]-4:C[6]-4:C[6]-4:	N[5,6]-4:C[6]-4:H-1:H-1:	N[5,6]-4:C[5]-4:H-1:H-1:	N[5,6](B[5]N[5]ClH)(C[5]C[5]HH)(C[6]C[6]HH)2	C[6](N[5,6]B[5]C[5]C[6])(C[6]C[6]HH)(H)2	C[5](N[5,6]B[5]C[6]2)(C[5]N[5]HH)(H)2	N[5,6](B[5]N[5]ClH)(C[5]C[5]HH)(C[6]C[6]HH)2{1|C<3>,1|C<4>,6|H<1>}	C[6](N[5,6]B[5]C[5]C[6])(C[6]C[6]HH)(H)2{1|Cl<1>,1|N<3>,2|C<4>,7|H<1>}	C[5](N[5,6]B[5]C[6]2)(C[5]N[5]HH)(H)2{1|Cl<1>,1|C<3>,2|C<4>,5|H<1>}	109.2570	1.172	2	109.2570	1.374	2	109.2570	1.374	2	110.6157	2.268	30	112.2447	6.346	129	112.5570	9.714	185
999	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	N[5,6]-4:C[6]-4:H-1:H-1:	N[5,6]-4:C[5]-4:H-1:H-1:	N[5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CC[6a]HH)	C[6](N[5,6]C[5,6,6]C[5]C)(C[6]N[5,6]HH)(H)2	C[5](N[5,6]C[5,6,6]C[6]C)(C[5]N[5,6]HH)(H)2	N[5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|N<3>,1|N<4>,5|H<1>}	C[6](N[5,6]C[5,6,6]C[5]C)(C[6]N[5,6]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	C[5](N[5,6]C[5,6,6]C[6]C)(C[5]N[5,6]HH)(H)2{3|C<4>,3|H<1>}	109.4000	0.296	2	109.3850	0.044	3	109.3850	0.044	3	110.6157	2.268	30	112.2447	6.346	129	112.5570	9.714	185
999	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	N[5,6]-4:C[6]-4:H-1:H-1:	N[5,6]-4:C[5]-4:H-1:H-1:	N[5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CC[6a]HH)	C[6](N[5,6]C[5,6,6]C[5]C)(C[6]N[5,6]HH)(H)2	C[5](N[5,6]C[5,6,6]C[6]C)(C[5]N[5,6]HH)(H)2	N[5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,2|N<3>,5|H<1>}	C[6](N[5,6]C[5,6,6]C[5]C)(C[6]N[5,6]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	C[5](N[5,6]C[5,6,6]C[6]C)(C[5]N[5,6]HH)(H)2{3|C<4>,3|H<1>}	109.3550	0.000	1	109.3850	0.044	3	109.3850	0.044	3	110.6157	2.268	30	112.2447	6.346	129	112.5570	9.714	185
999	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	N[5,6]-4:C[6]-4:H-1:H-1:	N[5,6]-4:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C[6](N[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(H)2	C[5](N[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,6|H<1>}	C[6](N[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[5](N[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	109.3230	0.000	1	109.3230	0.000	1	109.3230	0.000	1	110.6157	2.268	30	112.2447	6.346	129	112.5570	9.714	185
999	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	N[5,6]-4:C[6]-4:H-1:H-1:	N[5,6]-4:C[5]-4:H-1:H-1:	N[5,6](C[5]C[5]HH)2(C[6]C[6]HH)2	C[6](N[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5](N[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	N[5,6](C[5]C[5]HH)2(C[6]C[6]HH)2{1|C<4>,8|H<1>}	C[6](N[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{3|C<4>,8|H<1>}	C[5](N[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{2|C<4>,8|H<1>}	111.2035	1.466	4	111.2035	2.150	4	111.2829	1.926	20	110.6157	2.268	30	112.2447	6.346	129	112.5570	9.714	185
999	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	N[5,6]-4:C[6]-4:H-1:H-1:	N[5,6]-4:C[5]-4:H-1:H-1:	N[5,6](C[5]C[5]HH)2(C[6]C[6]HH)2	C[6](N[5,6]C[5]2C[6])(C[6]N[5,6]HH)(H)2	C[5](N[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	N[5,6](C[5]C[5]HH)2(C[6]C[6]HH)2{1|N<4>,8|H<1>}	C[6](N[5,6]C[5]2C[6])(C[6]N[5,6]HH)(H)2{5|C<4>,6|H<1>}	C[5](N[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{2|C<4>,8|H<1>}	111.3028	1.417	16	111.3028	2.007	16	111.2829	1.926	20	110.6157	2.268	30	112.2447	6.346	129	112.5570	9.714	185
999	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	Ga[5]-4:C[5]-4:C[6]-4:C[6]-4:	N[5,6]-4:C[6]-4:H-1:H-1:	N[5,6]-4:C[5]-4:H-1:H-1:	N[5,6](Ga[5]Ga[5]N[5]Cl)(C[5]C[5]HH)(C[6]C[6]HH)2	C[6](N[5,6]Ga[5]C[5]C[6])(C[6]C[6]HH)(H)2	C[5](N[5,6]Ga[5]C[6]2)(C[5]N[5]HH)(H)2	N[5,6](Ga[5]Ga[5]N[5]Cl)(C[5]C[5]HH)(C[6]C[6]HH)2{1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,1|N<4>,6|H<1>}	C[6](N[5,6]Ga[5]C[5]C[6])(C[6]C[6]HH)(H)2{1|Cl<1>,1|Ga<4>,1|N<3>,2|C<4>,6|H<1>}	C[5](N[5,6]Ga[5]C[6]2)(C[5]N[5]HH)(H)2{1|Cl<1>,1|Ga<4>,1|C<3>,2|C<4>,4|H<1>}	108.9280	0.604	2	108.9280	0.365	2	109.2053	0.319	4	110.6157	2.268	30	112.2447	6.346	129	112.5570	9.714	185
999	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	Ga[5]-4:C[5]-4:C[6]-4:C[6]-4:	N[5,6]-4:C[6]-4:H-1:H-1:	N[5,6]-4:C[5]-4:H-1:H-1:	N[5,6](Ga[5]N[5]ClH)(C[5]C[5]HH)(C[6]C[6]HH)2	C[6](N[5,6]Ga[5]C[5]C[6])(C[6]C[6]HH)(H)2	C[5](N[5,6]Ga[5]C[6]2)(C[5]N[5]HH)(H)2	N[5,6](Ga[5]N[5]ClH)(C[5]C[5]HH)(C[6]C[6]HH)2{1|C<3>,1|C<4>,6|H<1>}	C[6](N[5,6]Ga[5]C[5]C[6])(C[6]C[6]HH)(H)2{1|Cl<1>,1|N<3>,2|C<4>,7|H<1>}	C[5](N[5,6]Ga[5]C[6]2)(C[5]N[5]HH)(H)2{1|Cl<1>,1|C<3>,2|C<4>,5|H<1>}	109.4825	0.532	2	109.4825	0.284	2	109.2053	0.319	4	110.6157	2.268	30	112.2447	6.346	129	112.5570	9.714	185
999	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	5:4:4:4:	3:4:1:1:	4:3:1:1:	Ga[5,6]-5:C[6]-4:C[5]-4:C-4:	C[6,6a]-3:N[5,6]-4:H-1:H-1:	N[5,6]-4:C[5]-3:H-1:H-1:	N[5,6](Ga[5,6]O[5]O[6]OO)(C[6]C[6,6a]HH)(C[5]C[5]HH)(CCHH)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]Ga[5,6]C[5]C)(H)2	C[5](N[5,6]Ga[5,6]C[6]C)(C[5]O[5]O)(H)2	N[5,6](Ga[5,6]O[5]O[6]OO)(C[6]C[6,6a]HH)(C[5]C[5]HH)(CCHH){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]Ga[5,6]C[5]C)(H)2{1|O<3>,3|C<3>,3|H<1>,3|O<2>}	C[5](N[5,6]Ga[5,6]C[6]C)(C[5]O[5]O)(H)2{1|C<3>,1|O<3>,2|H<1>,2|O<2>}	112.4580	0.000	1	112.4580	0.000	1	112.4580	0.000	1	112.4580	0.000	1	112.2447	6.346	129	112.5570	9.714	185
999	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	5:4:4:4:	3:4:1:1:	4:4:1:1:	In[5,6]-5:C[6]-4:C[5]-4:C-4:	C[6,6a]-3:N[5,6]-4:H-1:H-1:	N[5,6]-4:C[5]-4:H-1:H-1:	N[5,6](In[5,6]N[5]O[6]Cl2)(C[6]C[6,6a]HH)(C[5]C[5]HH)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]In[5,6]C[5]C)(H)2	C[5](N[5,6]In[5,6]C[6]C)(C[5]N[5]HH)(H)2	N[5,6](In[5,6]N[5]O[6]Cl2)(C[6]C[6,6a]HH)(C[5]C[5]HH)(CH3){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]In[5,6]C[5]C)(H)2{2|Cl<1>,1|C<4>,1|N<4>,1|O<2>,2|C<3>,3|H<1>}	C[5](N[5,6]In[5,6]C[6]C)(C[5]N[5]HH)(H)2{2|Cl<1>,1|C<3>,1|O<2>,2|C<4>,2|H<1>}	108.7650	0.000	1	108.7650	0.000	1	108.7650	0.000	1	108.7650	0.000	1	112.2447	6.346	129	112.5570	9.714	185
999	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	5:4:4:4:	4:3:1:1:	4:4:1:1:	In[5,6,6]-5:C[6]-4:C[5]-4:C-4:	N[5,6]-4:C[6,6a]-3:H-1:H-1:	N[5,6]-4:C[5]-4:H-1:H-1:	N[5,6](In[5,6,6]N[5,6]O[6]2Cl)(C[6]C[6,6a]HH)(C[5]C[5]HH)(CH3)	C[6](N[5,6]In[5,6,6]C[5]C)(C[6,6a]C[6,6a]C[6a])(H)2	C[5](N[5,6]In[5,6,6]C[6]C)(C[5]N[5,6]HH)(H)2	N[5,6](In[5,6,6]N[5,6]O[6]2Cl)(C[6]C[6,6a]HH)(C[5]C[5]HH)(CH3){2|C<4>,2|H<1>,3|C<3>}	C[6](N[5,6]In[5,6,6]C[5]C)(C[6,6a]C[6,6a]C[6a])(H)2{1|Cl<1>,1|C<4>,1|N<4>,2|C<3>,2|O<2>,3|H<1>}	C[5](N[5,6]In[5,6,6]C[6]C)(C[5]N[5,6]HH)(H)2{1|Cl<1>,1|C<3>,2|C<4>,2|H<1>,2|O<2>}	109.0620	0.660	2	109.0620	0.436	2	109.0620	0.436	2	109.0620	0.436	2	112.2447	6.346	129	112.5570	9.714	185
999	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	6:4:4:1:	4:3:1:1:	4:4:1:1:	Ga[3x5,6,6]-6:C[6]-4:C[5]-4:H-1:	N[5,6]-4:C[6,6a]-3:H-1:H-1:	N[5,6]-4:C[5]-4:H-1:H-1:	N[5,6](Ga[3x5,6,6]N[3x5]N[5,6]2O[6]2)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H)	C[6](N[5,6]Ga[3x5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[5](N[5,6]Ga[3x5,6,6]C[6]H)(C[5]N[3x5]HH)(H)2	N[5,6](Ga[3x5,6,6]N[3x5]N[5,6]2O[6]2)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H){3|H<1>,4|C<4>,5|C<3>}	C[6](N[5,6]Ga[3x5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|N<3>,2|C<3>,2|N<4>,2|O<2>,3|H<1>}	C[5](N[5,6]Ga[3x5,6,6]C[6]H)(C[5]N[3x5]HH)(H)2{1|C<3>,1|N<3>,1|N<4>,2|C<4>,2|H<1>,2|O<2>}	113.9790	1.252	4	113.9790	1.568	4	113.9790	1.568	4	113.9790	1.568	4	112.2447	6.346	129	112.5570	9.714	185
999	466	474	0:SP3_SP3_SP3	N[5,6]	C[6]	C[5]	7:4:4:4:	4:3:1:1:	4:4:1:1:	Nb[3,5,6]-7:C[6]-4:C[5]-4:C-4:	N[5,6]-4:C[6,6a]-3:H-1:H-1:	N[5,6]-4:C[5]-4:H-1:H-1:	N[5,6](Nb[3,5,6]C[3]2N[5]O[6]Cl2)(C[6]C[6,6a]HH)(C[5]C[5]HH)(CH3)	C[6](N[5,6]Nb[3,5,6]C[5]C)(C[6,6a]C[6,6a]C[6a])(H)2	C[5](N[5,6]Nb[3,5,6]C[6]C)(C[5]N[5]HH)(H)2	N[5,6](Nb[3,5,6]C[3]2N[5]O[6]Cl2)(C[6]C[6,6a]HH)(C[5]C[5]HH)(CH3){2|C<3>,2|H<1>,4|C<4>}	C[6](N[5,6]Nb[3,5,6]C[5]C)(C[6,6a]C[6,6a]C[6a])(H)2{2|Cl<1>,1|C<4>,1|N<4>,1|O<2>,3|H<1>,4|C<3>}	C[5](N[5,6]Nb[3,5,6]C[6]C)(C[5]N[5]HH)(H)2{2|Cl<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	109.6180	0.000	1	109.6180	0.000	1	109.6180	0.000	1	109.6180	0.000	1	112.2447	6.346	129	112.5570	9.714	185
999	466	474	0:SP3_SP3_SP3	N[5]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5]-4:C[5]-4:H-1:	C[3x6]-4:C[6,6]-4:N[5]-4:H-1:	N[5]-4:C[5]-4:H-1:H-1:	N[5](C[6,6]C[3x6]C[6,6]H)(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(N[5]C[5]2H)(H)	C[5](N[5]C[6,6]C[5]H)(C[5]C[5]HH)(H)2	N[5](C[6,6]C[3x6]C[6,6]H)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,6|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(N[5]C[5]2H)(H){1|C<3>,1|O<1>,4|C<4>,6|H<1>}	C[5](N[5]C[6,6]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	113.1040	0.000	1	113.1040	0.000	1	113.1040	0.000	1	113.1040	0.000	1	112.9680	0.037	2	112.5570	9.714	185
999	466	474	0:SP3_SP3_SP3	N[5]	C[6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:3:1:	C[6,6]-4:C[5]-4:C[5]-4:H-1:	C[3x6]-4:C[6,6]-4:N[5]-4:H-1:	N[5]-4:C[5]-4:C-3:H-1:	N[5](C[6,6]C[3x6]C[6,6]H)(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(N[5]C[5]2H)(H)	C[5](N[5]C[6,6]C[5]H)(C[5]C[5]HH)(COO)(H)	N[5](C[6,6]C[3x6]C[6,6]H)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,6|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(N[5]C[5]2H)(H){1|C<3>,1|O<1>,4|C<4>,6|H<1>}	C[5](N[5]C[6,6]C[5]H)(C[5]C[5]HH)(COO)(H){2|C<4>,5|H<1>}	112.8320	0.000	1	112.8320	0.000	1	112.8320	0.000	1	112.8320	0.000	1	112.9680	0.037	2	112.5570	9.714	185
999	466	474	0:SP3_SP3_SP3	N[5]	C[6]	C[5]	4:4:4:1:	3:4:4:1:	4:4:1:1:	C[6]-4:C[5]-4:C[5]-4:H-1:	C[6,6a]-3:C[6]-4:N[5]-4:H-1:	N[5]-4:C[5]-4:H-1:H-1:	N[5](C[6]C[6,6a]C[6]H)(C[5]C[5]HH)2(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(N[5]C[5]2H)(H)	C[5](N[5]C[5]C[6]H)(C[5]C[5]HH)(H)2	N[5](C[6]C[6,6a]C[6]H)(C[5]C[5]HH)2(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(N[5]C[5]2H)(H){2|C<3>,3|C<4>,7|H<1>}	C[5](N[5]C[5]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,5|H<1>}	114.3955	1.399	2	114.3955	1.958	2	114.3955	1.958	2	114.3955	1.958	2	114.1338	4.189	8	112.5570	9.714	185
999	466	474	0:SP3_SP3_SP3	N[5]	C[6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:N[5]-4:H-1:	N[5]-4:C[5]-4:H-1:H-1:	N[5](C[5]C[5]HH)2(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]C[6]H)(C[6]C[6]HH)(N[5]C[5]2H)(H)	C[5](N[5]C[5]C[6]H)(C[5]C[5]HH)(H)2	N[5](C[5]C[5]HH)2(C[6]C[6]2H)(H){3|C<4>,7|H<1>}	C[6](C[6]C[6,6]C[6]H)(C[6]C[6]HH)(N[5]C[5]2H)(H){1|C<3>,1|O<2>,4|C<4>,8|H<1>}	C[5](N[5]C[5]C[6]H)(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	113.7880	0.478	2	113.7880	0.228	2	115.2125	2.782	4	115.2125	2.782	4	114.1338	4.189	8	112.5570	9.714	185
999	466	474	0:SP3_SP3_SP3	N[5]	C[6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:N[5]-4:H-1:	N[5]-4:C[5]-4:H-1:H-1:	N[5](C[5]C[5]HH)2(C[6]C[6]2H)(H)	C[6](C[6]C[6]BH)(C[6]C[6]HH)(N[5]C[5]2H)(H)	C[5](N[5]C[5]C[6]H)(C[5]C[5]HH)(H)2	N[5](C[5]C[5]HH)2(C[6]C[6]2H)(H){1|B<4>,2|C<4>,7|H<1>}	C[6](C[6]C[6]BH)(C[6]C[6]HH)(N[5]C[5]2H)(H){3|C<4>,8|H<1>}	C[5](N[5]C[5]C[6]H)(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	116.6370	0.008	2	116.6370	0.000	2	115.2125	2.782	4	115.2125	2.782	4	114.1338	4.189	8	112.5570	9.714	185
999	466	474	0:SP3_SP3_SP3	N[5]	C[6]	C[5]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[5]-4:C[5]-4:C[6]-4:C-4:	C[6]-4:C[6]-4:N[5]-4:H-1:	N[5]-4:C[5]-4:H-1:H-1:	N[5](C[5]C[5]HH)2(C[6]C[6]2H)(CCHH)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(N[5]C[5]2C)(H)	C[5](N[5]C[5]C[6]C)(C[5]C[5]HH)(H)2	N[5](C[5]C[5]HH)2(C[6]C[6]2H)(CCHH){1|C<3>,1|C<4>,8|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(N[5]C[5]2C)(H){1|C<3>,3|C<4>,6|H<1>}	C[5](N[5]C[5]C[6]C)(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	111.7145	1.589	2	111.7145	2.525	2	111.7145	2.525	2	111.7145	2.525	2	114.1338	4.189	8	112.5570	9.714	185
999	466	474	6:SP3_SP3_SP3	N[5,3x6]	C[6,6]	C[5,6,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-4:	N[5,3x6]-4:C[6,6]-4:H-1:H-1:	N[5,3x6]-4:C[5]-4:C[6,6]-4:H-1:	N[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)2(C[5]C[5]HH)	C[6,6](N[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]CH)(H)2	C[5,6,6](N[5,3x6]C[6,6]2C[5])(C[5]C[6a]C[5]H)(C[6,6]C[3x6]HH)(H)	N[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)2(C[5]C[5]HH){1|C<3>,2|C<4>,8|H<1>}	C[6,6](N[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]CH)(H)2{4|C<4>,6|H<1>}	C[5,6,6](N[5,3x6]C[6,6]2C[5])(C[5]C[6a]C[5]H)(C[6,6]C[3x6]HH)(H){2|C<3>,2|C<4>,9|H<1>}	108.4950	0.000	1	108.4950	0.000	1	110.0405	4.777	2	110.0405	4.777	2	110.0405	4.777	2	112.5471	4.364	106
999	466	474	6:SP3_SP3_SP3	N[5,3x6]	C[6,6]	C[5,6,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-4:	N[5,3x6]-4:C[6,6]-4:H-1:H-1:	N[5,3x6]-4:C[5]-4:C[6,6]-4:H-1:	N[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)2(C[5]C[5]HH)	C[6,6](N[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HH)(H)2	C[5,6,6](N[5,3x6]C[6,6]2C[5])(C[5]C[6a]C[5]H)(C[6,6]C[3x6]HH)(H)	N[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)2(C[5]C[5]HH){1|C<3>,2|C<4>,8|H<1>}	C[6,6](N[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HH)(H)2{4|C<4>,6|H<1>}	C[5,6,6](N[5,3x6]C[6,6]2C[5])(C[5]C[6a]C[5]H)(C[6,6]C[3x6]HH)(H){2|C<3>,2|C<4>,9|H<1>}	111.5860	0.000	1	111.5860	0.000	1	110.0405	4.777	2	110.0405	4.777	2	110.0405	4.777	2	112.5471	4.364	106
999	466	474	6:SP3_SP3_SP3	N[5,5,6,6]	C[6]	C[5,5,6]	4:4:4:4:	4:4:1:1:	4:3:4:4:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:C[6]-4:	N[5,5,6,6]-4:C[6]-4:H-1:H-1:	N[5,5,6,6]-4:C[5a,6]-3:C[5,5,6]-4:C-4:	N[5,5,6,6](C[5,5,6]C[5,5,6]C[5a,6]C)(C[5,6]C[5,6]HH)2(C[6]C[6]HH)	C[6](N[5,5,6,6]C[5,5,6]C[5,6]2)(C[6]C[5a,6]HH)(H)2	C[5,5,6](N[5,5,6,6]C[5,6]2C[6])(C[5a,6]C[5a,6]N[5a])(C[5,5,6]C[5,6]2O)(CH3)	N[5,5,6,6](C[5,5,6]C[5,5,6]C[5a,6]C)(C[5,6]C[5,6]HH)2(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,5|H<1>}	C[6](N[5,5,6,6]C[5,5,6]C[5,6]2)(C[6]C[5a,6]HH)(H)2{2|C<3>,4|C<4>,4|H<1>}	C[5,5,6](N[5,5,6,6]C[5,6]2C[6])(C[5a,6]C[5a,6]N[5a])(C[5,5,6]C[5,6]2O)(CH3){10|H<1>,2|C<3>,2|C<4>}	114.9850	0.000	1	114.9850	0.000	1	114.9850	0.000	1	114.9850	0.000	1	114.9850	0.000	1	112.5471	4.364	106
999	466	474	6:SP3_SP3_SP3	N[5,6,6]	C[6,6]	C[5,6,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6,6]-4:C[5,6]-4:C[6,6]-4:H-1:	N[5,6,6]-4:C[6,6]-4:H-1:H-1:	N[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	N[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,6]C[6,6a]C[5,6]H)(C[6,6]C[6,6]HH)(H)	C[6,6](N[5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6a]C[6]H)(H)2	C[5,6,6](N[5,6,6]C[5,6]C[6,6]H)(C[5,6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	N[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,6]C[6,6a]C[5,6]H)(C[6,6]C[6,6]HH)(H){1|C<3>,1|N<2>,3|C<4>,5|H<1>}	C[6,6](N[5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6a]C[6]H)(H)2{2|C<3>,3|C<4>,4|H<1>}	C[5,6,6](N[5,6,6]C[5,6]C[6,6]H)(C[5,6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,8|H<1>}	107.3180	0.000	1	107.3180	0.000	1	107.3180	0.000	1	107.3180	0.000	1	107.3180	0.000	1	112.5471	4.364	106
999	466	474	6:SP3_SP3_SP3	N[5,6,6]	C[6,6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[5,6,6]-4:C[5,6]-4:C[6,6]-4:H-1:	N[5,6,6]-4:C[6,6]-4:H-1:H-1:	N[5,6,6]-4:C[5,6]-4:C[6,6a]-3:H-1:	N[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,6]C[6,6a]C[5,6]H)(C[6,6]C[6,6]HH)(H)	C[6,6](N[5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6a]C[6]H)(H)2	C[5,6](N[5,6,6]C[5,6,6]C[6,6]H)(C[5,6]C[5,6,6]C[6]H)(C[6,6a]C[6,6a]N[6a])(H)	N[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,6]C[6,6a]C[5,6]H)(C[6,6]C[6,6]HH)(H){1|C<3>,1|N<2>,3|C<4>,5|H<1>}	C[6,6](N[5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6a]C[6]H)(H)2{2|C<3>,3|C<4>,4|H<1>}	C[5,6](N[5,6,6]C[5,6,6]C[6,6]H)(C[5,6]C[5,6,6]C[6]H)(C[6,6a]C[6,6a]N[6a])(H){2|C<3>,4|C<4>,6|H<1>}	112.7130	0.000	1	112.7130	0.000	1	112.7130	0.000	1	112.7130	0.000	1	112.7130	0.000	1	112.5471	4.364	106
999	466	474	6:SP3_SP3_SP3	N[5,6,6]	C[6]	C[5,3x6]	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[5,5,6,6]-4:C[5,3x6]-4:C[6]-4:H-1:	N[5,6,6]-4:C[6]-4:C-4:H-1:	N[5,6,6]-4:C[3x6]-4:C[5,6]-4:H-1:	N[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]C[6,6])(C[5,3x6]C[3x6]C[5,6]H)(C[6]C[6]CH)(H)	C[6](N[5,6,6]C[5,5,6,6]C[5,3x6]H)(C[6]C[6]HH)(CH3)(H)	C[5,3x6](N[5,6,6]C[5,5,6,6]C[6]H)(C[3x6]C[5,6,6]C[6]H)(C[5,6]C[5,5,6]HH)(H)	N[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]C[6,6])(C[5,3x6]C[3x6]C[5,6]H)(C[6]C[6]CH)(H){1|C<3>,5|C<4>,7|H<1>}	C[6](N[5,6,6]C[5,5,6,6]C[5,3x6]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,3|H<1>,4|C<4>}	C[5,3x6](N[5,6,6]C[5,5,6,6]C[6]H)(C[3x6]C[5,6,6]C[6]H)(C[5,6]C[5,5,6]HH)(H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	108.3230	0.085	3	108.3230	0.007	3	108.3230	0.007	3	108.3230	0.007	3	109.8715	1.952	11	112.5471	4.364	106
999	466	474	6:SP3_SP3_SP3	N[5,6,6]	C[6]	C[5,3x6]	4:4:4:4:	4:4:1:1:	4:4:3:1:	C[5,3x6]-4:C[5]-4:C[6]-4:C[6]-4:	N[5,6,6]-4:C[6]-4:H-1:H-1:	N[5,6,6]-4:N[5,6,6]-4:N[6,6]-3:H-1:	N[5,6,6](C[5,3x6]N[5,6,6]N[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)2	C[6](N[5,6,6]C[5,3x6]C[5]C[6])(C[6]C[6]HH)(H)2	C[5,3x6](N[5,6,6]C[5]C[6]2)2(N[6,6]C[6]2)(H)	N[5,6,6](C[5,3x6]N[5,6,6]N[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)2{4|C<4>,6|H<1>}	C[6](N[5,6,6]C[5,3x6]C[5]C[6])(C[6]C[6]HH)(H)2{1|N<3>,1|N<4>,2|C<4>,7|H<1>}	C[5,3x6](N[5,6,6]C[5]C[6]2)2(N[6,6]C[6]2)(H){16|H<1>,3|C<4>}	110.4521	1.172	8	110.4521	1.374	8	110.4521	1.374	8	110.4521	1.374	8	109.8715	1.952	11	112.5471	4.364	106
999	466	474	6:SP3_SP3_SP3	N[5,6,6]	C[6]	C[5,5,4x6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[5,5,4x6]-4:C[5,6]-4:C[6]-4:H-1:	N[5,6,6]-4:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,3x6]-4:N[5,6,6]-4:C[6]-4:	N[5,6,6](C[5,5,4x6]C[5,5,6,6]C[5,3x6]C[6])(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(H)	C[6](N[5,6,6]C[5,5,4x6]C[5,6]H)(C[6]C[6]HH)(H)2	C[5,5,4x6](C[5,5,6,6]C[5,5,6]C[6]2)(C[5,3x6]C[5,6]C[6,6]H)(N[5,6,6]C[5,6]C[6]H)(C[6]C[6]HH)	N[5,6,6](C[5,5,4x6]C[5,5,6,6]C[5,3x6]C[6])(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(H){5|C<4>,6|H<1>}	C[6](N[5,6,6]C[5,5,4x6]C[5,6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[5,5,4x6](C[5,5,6,6]C[5,5,6]C[6]2)(C[5,3x6]C[5,6]C[6,6]H)(N[5,6,6]C[5,6]C[6]H)(C[6]C[6]HH){12|H<1>,1|O<2>,4|C<4>}	112.7620	0.000	1	112.7620	0.000	1	112.7620	0.000	1	112.7620	0.000	1	112.7620	0.000	1	112.5471	4.364	106
999	466	474	6:SP3_SP3_SP3	N[5,6,6]	C[6]	C[5,6,6]	4:3:4:1:	4:4:1:1:	4:4:3:4:	C[5,6,6]-4:Ge[5,6]-3:C[6]-4:H-1:	N[5,6,6]-4:C[6]-4:H-1:H-1:	N[5,6,6]-4:C[6,6]-4:C[5,6]-3:C-4:	N[5,6,6](C[5,6,6]C[5,6]C[6,6]C)(Ge[5,6]N[5,6]N[6,6])(C[6]C[6]HH)(H)	C[6](N[5,6,6]C[5,6,6]Ge[5,6]H)(C[6]N[6]HH)(H)2	C[5,6,6](N[5,6,6]Ge[5,6]C[6]H)(C[6,6]C[6,6]N[6]C)(C[5,6]N[5,6]C[6])(CH3)	N[5,6,6](C[5,6,6]C[5,6]C[6,6]C)(Ge[5,6]N[5,6]N[6,6])(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6](N[5,6,6]C[5,6,6]Ge[5,6]H)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>,2|N<3>}	C[5,6,6](N[5,6,6]Ge[5,6]C[6]H)(C[6,6]C[6,6]N[6]C)(C[5,6]N[5,6]C[6])(CH3){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	113.7450	0.000	1	113.7450	0.000	1	113.7450	0.000	1	113.7450	0.000	1	113.7450	0.000	1	112.5471	4.364	106
999	466	474	6:SP3_SP3_SP3	N[5,6]	C[6,6]	C[5,5,6]	4:4:4:4:	4:3:4:1:	4:4:4:1:	C[5,5,6]-4:C[6,6]-4:C[5]-4:C-4:	N[5,6]-4:C[5,6]-3:C[6,6]-4:H-1:	N[5,6]-4:C[5,6]-4:C[5,5]-4:H-1:	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CH3)	C[6,6](N[5,6]C[5,5,6]C[5]C)(C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(H)	C[5,5,6](N[5,6]C[6,6]C[5]C)(C[5,6]C[5]C[6]C)(C[5,5]C[5]2H)(H)	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CH3){1|C<3>,3|H<1>,7|C<4>}	C[6,6](N[5,6]C[5,5,6]C[5]C)(C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(H){1|O<2>,7|C<4>,7|H<1>}	C[5,5,6](N[5,6]C[6,6]C[5]C)(C[5,6]C[5]C[6]C)(C[5,5]C[5]2H)(H){1|C<3>,1|O<2>,3|C<4>,8|H<1>}	113.4250	0.000	1	113.4250	0.000	1	113.4250	0.000	1	113.4250	0.000	1	113.4250	0.000	1	112.5471	4.364	106
999	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,3x6]	4:4:4:1:	4:4:1:1:	4:4:3:4:	C[5,3x6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:N[5,6]-4:C[5,6]-3:C[6]-4:	N[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](N[5,6]C[5,3x6]C[5]H)(C[6]C[6]HH)(H)2	C[5,3x6](C[3x6]C[6,6]C[6]H)(N[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)	N[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,7|H<1>}	C[6](N[5,6]C[5,3x6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5,3x6](C[3x6]C[6,6]C[6]H)(N[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(C[6]C[6]HH){10|H<1>,1|C<3>,1|O<2>,3|C<4>}	114.2490	0.000	1	114.2490	0.000	1	114.2490	0.000	1	114.2490	0.000	1	113.9630	0.164	2	112.5471	4.364	106
999	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,3x6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,3x6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:N[5,6]-4:C[3x6]-4:H-1:	N[5,6](C[5,3x6]C[5,5,6,6]C[3x6]H)(C[5]C[5,6]HH)(C[6]C[6]HH)(H)	C[6](N[5,6]C[5,3x6]C[5]H)(C[6]C[6]HH)(H)2	C[5,3x6](C[5,5,6,6]C[5,6a]C[5,6]2)(N[5,6]C[5]C[6]H)(C[3x6]C[6]3)(H)	N[5,6](C[5,3x6]C[5,5,6,6]C[3x6]H)(C[5]C[5,6]HH)(C[6]C[6]HH)(H){2|C<3>,3|H<1>,4|C<4>}	C[6](N[5,6]C[5,3x6]C[5]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[5,3x6](C[5,5,6,6]C[5,6a]C[5,6]2)(N[5,6]C[5]C[6]H)(C[3x6]C[6]3)(H){11|H<1>,1|N<3>,2|C<4>,4|C<3>}	113.6770	0.000	1	113.6770	0.000	1	113.6770	0.000	1	113.6770	0.000	1	113.9630	0.164	2	112.5471	4.364	106
999	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6,6]	4:4:4:1:	4:3:1:1:	4:4:3:1:	C[5,6,6]-4:C[6]-4:C[5]-4:O-1:	N[5,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6]-4:N[5,6]-4:C[5,6]-3:H-1:	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(O)	C[6](N[5,6]C[5,6,6]C[5]O)(C[6,6a]C[6,6a]C[6a])(H)2	C[5,6,6](C[6,6]C[6,6a]C[6]H)(N[5,6]C[5]C[6]O)(C[5,6]C[5]C[6])(H)	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(O){1|C<4>,3|C<3>,3|H<1>}	C[6](N[5,6]C[5,6,6]C[5]O)(C[6,6a]C[6,6a]C[6a])(H)2{2|C<4>,3|C<3>,4|H<1>}	C[5,6,6](C[6,6]C[6,6a]C[6]H)(N[5,6]C[5]C[6]O)(C[5,6]C[5]C[6])(H){1|C<4>,1|O<2>,2|C<3>,8|H<1>}	107.9520	0.000	1	107.9520	0.000	1	107.9520	0.000	1	107.9520	0.000	1	113.0931	2.061	61	112.5471	4.364	106
999	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6,6]	4:4:4:1:	4:3:1:1:	4:4:4:1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:C[6]-3:H-1:H-1:	C[5,5,6]-4:N[5,6]-4:C[6,6]-4:H-1:	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](N[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]C)(H)2	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5,6]C[5]C[6]H)(C[6,6]C[6,6]HH)(H)	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](N[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]C)(H)2{4|C<4>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5,6]C[5]C[6]H)(C[6,6]C[6,6]HH)(H){1|C<4>,1|N<3>,3|C<3>,8|H<1>}	113.5098	0.581	53	113.5098	0.338	53	113.5098	0.338	53	113.2821	1.256	56	113.0931	2.061	61	112.5471	4.364	106
999	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6,6]	4:4:4:1:	4:3:1:1:	4:4:4:1:	C[5,6,6]-4:C[6]-4:C[5]-4:H-1:	N[5,6]-4:C[6,6a]-3:H-1:H-1:	C[5,6,6]-4:N[5,6]-4:C[6]-4:H-1:	N[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H)	C[6](N[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[5,6,6](C[5,6,6]C[6,6a]C[5]C[6])(N[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	N[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](N[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(H)2{2|C<3>,3|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[6,6a]C[5]C[6])(N[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){2|O<2>,3|C<3>,7|H<1>}	109.2415	0.490	2	109.2590	0.121	3	109.2590	0.121	3	113.2821	1.256	56	113.0931	2.061	61	112.5471	4.364	106
999	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6,6]	4:4:4:1:	4:3:1:1:	4:4:4:1:	C[5,6,6]-4:C[6]-4:C[5]-4:H-1:	N[5,6]-4:C[6,6a]-3:H-1:H-1:	C[5,6,6]-4:N[5,6]-4:C[6]-4:H-1:	N[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H)	C[6](N[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[5,6,6](C[5,6,6]C[6,6a]C[5]C[6])(N[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	N[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](N[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(H)2{2|C<3>,3|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[6,6a]C[5]C[6])(N[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){10|H<1>,1|C<4>,2|C<3>}	109.2940	0.000	1	109.2590	0.121	3	109.2590	0.121	3	113.2821	1.256	56	113.0931	2.061	61	112.5471	4.364	106
999	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6,6]	4:4:4:1:	4:4:1:1:	4:4:3:4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:C[6]-4:H-1:H-1:	N[5,6]-4:C[3x6]-4:N[5,6]-3:C-4:	N[5,6](C[5,6,6]C[3x6]N[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](N[5,6]C[5,6,6]C[5]H)(C[6]N[6,6]HH)(H)2	C[5,6,6](N[5,6]C[5]C[6]H)(C[3x6]N[6,6]2C)(N[5,6]C[5]C[6])(CH3)	N[5,6](C[5,6,6]C[3x6]N[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|N<3>,1|N<4>,3|C<4>,3|H<1>}	C[6](N[5,6]C[5,6,6]C[5]H)(C[6]N[6,6]HH)(H)2{1|N<3>,3|H<1>,4|C<4>}	C[5,6,6](N[5,6]C[5]C[6]H)(C[3x6]N[6,6]2C)(N[5,6]C[5]C[6])(CH3){5|C<4>,8|H<1>}	115.4510	0.000	1	115.4510	0.000	1	115.4510	0.000	1	115.4510	0.000	1	113.0931	2.061	61	112.5471	4.364	106
999	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6,6]	4:4:4:4:	4:4:1:1:	4:4:3:1:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	N[5,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:N[5,6]-4:N[5,6]-3:H-1:	N[5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CC[6a]HH)	C[6](N[5,6]C[5,6,6]C[5]C)(C[6]N[5,6]HH)(H)2	C[5,6,6](C[5,6,6]N[5,6]2H)(N[5,6]C[5]C[6]C)(N[5,6]C[5]C[6])(H)	N[5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|N<3>,1|N<4>,5|H<1>}	C[6](N[5,6]C[5,6,6]C[5]C)(C[6]N[5,6]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	C[5,6,6](C[5,6,6]N[5,6]2H)(N[5,6]C[5]C[6]C)(N[5,6]C[5]C[6])(H){5|C<4>,8|H<1>}	110.3100	0.252	2	110.4930	0.132	3	110.4930	0.132	3	110.4930	0.132	3	113.0931	2.061	61	112.5471	4.364	106
999	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6,6]	4:4:4:4:	4:4:1:1:	4:4:3:1:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	N[5,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:N[5,6]-4:N[5,6]-3:H-1:	N[5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CC[6a]HH)	C[6](N[5,6]C[5,6,6]C[5]C)(C[6]N[5,6]HH)(H)2	C[5,6,6](C[5,6,6]N[5,6]2H)(N[5,6]C[5]C[6]C)(N[5,6]C[5]C[6])(H)	N[5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,2|N<3>,5|H<1>}	C[6](N[5,6]C[5,6,6]C[5]C)(C[6]N[5,6]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	C[5,6,6](C[5,6,6]N[5,6]2H)(N[5,6]C[5]C[6]C)(N[5,6]C[5]C[6])(H){4|C<4>,8|H<1>}	110.8590	0.000	1	110.4930	0.132	3	110.4930	0.132	3	110.4930	0.132	3	113.0931	2.061	61	112.5471	4.364	106
999	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	3:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	N[5,6]-4:C[6]-4:H-1:H-1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[6](N[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(H)2	C[5,6](N[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HH)(C[6]C[6]CO)(H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6](N[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5,6](N[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HH)(C[6]C[6]CO)(H){1|C<4>,2|C<3>,4|H<1>}	115.0450	0.000	1	115.0450	0.000	1	115.0450	0.000	1	115.0450	0.000	1	112.4904	6.998	24	112.5471	4.364	106
999	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:2:1:	4:4:1:1:	4:4:4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	N[5,6]-4:C[6]-4:H-1:H-1:	N[5,6]-4:C[5]-4:C[6]-4:C-4:	N[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](N[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	C[5,6](N[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CCHH)	N[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,7|H<1>}	C[6](N[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{2|H<1>,4|C<4>}	C[5,6](N[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CCHH){1|C<3>,1|C<4>,5|H<1>}	116.9975	0.016	2	116.9975	0.000	2	116.9975	0.000	2	116.9975	0.000	2	112.4904	6.998	24	112.5471	4.364	106
999	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	3:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:N[5,6]-4:C[5]-4:H-1:	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(H)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(H){2|C<4>,4|C<3>,6|H<1>}	115.3190	0.000	1	115.3190	0.000	1	115.3190	0.000	1	115.3190	0.000	1	112.4904	6.998	24	112.5471	4.364	106
999	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:C[6]-4:H-1:H-1:	N[5,6]-4:N[5,6]-3:H-1:H-1:	N[5,6](C[5,6]N[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](N[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(H)2	N[5,6](C[5,6]N[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,4|H<1>}	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,6|H<1>}	C[5,6](N[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(H)2{1|C<4>,8|H<1>}	109.0303	0.946	6	109.0303	0.894	6	109.0303	0.894	6	109.0303	0.894	6	112.4904	6.998	24	112.5471	4.364	106
999	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:C[6]-4:H-1:H-1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<4>,8|H<1>}	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{3|H<1>,5|C<4>}	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){3|C<4>,6|H<1>}	114.7530	0.000	1	114.7530	0.000	1	112.8350	2.525	7	112.8350	2.525	7	112.4904	6.998	24	112.5471	4.364	106
999	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:C[6]-4:H-1:H-1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,7|H<1>}	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,7|H<1>}	110.8785	0.108	2	110.8785	0.012	2	112.8350	2.525	7	112.8350	2.525	7	112.4904	6.998	24	112.5471	4.364	106
999	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:C[6]-4:H-1:H-1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){3|C<4>,6|H<1>}	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2{3|C<4>,5|H<1>}	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){2|C<4>,7|H<1>}	114.7040	0.000	1	114.7040	0.000	1	112.8350	2.525	7	112.8350	2.525	7	112.4904	6.998	24	112.5471	4.364	106
999	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:C[6]-4:H-1:H-1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HO)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,3|O<2>,5|H<1>}	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HO)(H){1|C<4>,1|O<2>,7|H<1>}	113.1030	0.000	2	113.1030	0.000	2	112.8350	2.525	7	112.8350	2.525	7	112.4904	6.998	24	112.5471	4.364	106
999	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:C[6]-4:H-1:H-1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](N[5,6]C[5,6]C[5]H)(C[6]O[6]CH)(H)2	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]O[6]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,7|H<1>}	C[6](N[5,6]C[5,6]C[5]H)(C[6]O[6]CH)(H)2{3|C<4>,3|H<1>}	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]O[6]HH)(H){1|C<4>,6|H<1>}	112.4250	0.000	1	112.4250	0.000	1	112.8350	2.525	7	112.8350	2.525	7	112.4904	6.998	24	112.5471	4.364	106
999	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:C[6]-4:H-1:H-1:	N[5,6]-4:C[5]-4:C[6]-4:C-4:	N[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](N[5,6]C[5,6]C[5]H)(C[6]O[6]HH)(H)2	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]O[6]HH)(CCHH)	N[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,7|H<1>}	C[6](N[5,6]C[5,6]C[5]H)(C[6]O[6]HH)(H)2{2|H<1>,4|C<4>}	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]O[6]HH)(CCHH){2|C<4>,5|H<1>}	114.7220	0.000	1	114.7220	0.000	1	114.7220	0.000	1	114.7220	0.000	1	112.4904	6.998	24	112.5471	4.364	106
999	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:C[6]-4:C-4:H-1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]CH)(H)	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(H)	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]CH)(H){1|C<4>,2|O<2>,6|H<1>}	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(H){4|C<4>,4|H<1>}	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,5|H<1>}	112.3090	0.000	1	112.3090	0.000	1	112.1583	0.175	3	112.1583	0.175	3	112.4904	6.998	24	112.5471	4.364	106
999	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:C[6]-4:C-4:H-1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCCH)(H)	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H){2|C<4>,7|H<1>}	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCCH)(H){3|C<4>,5|H<1>}	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H){2|C<4>,7|H<1>}	111.6860	0.000	1	111.6860	0.000	1	112.1583	0.175	3	112.1583	0.175	3	112.4904	6.998	24	112.5471	4.364	106
999	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:C[6]-4:C-4:H-1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHHO)(H)	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<4>,8|H<1>}	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHHO)(H){3|C<4>,5|H<1>}	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){2|C<4>,7|H<1>}	112.4800	0.000	1	112.4800	0.000	1	112.1583	0.175	3	112.1583	0.175	3	112.4904	6.998	24	112.5471	4.364	106
999	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:4:4:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:C[6]-4:C-4:C-4:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|C<4>,8|H<1>}	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2{1|O<2>,3|C<4>,4|H<1>}	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,5|H<1>}	114.9390	0.000	1	114.9390	0.000	1	114.2575	0.929	2	114.2575	0.929	2	112.4904	6.998	24	112.5471	4.364	106
999	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:4:1:	4:4:4:4:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:C[6]-4:C-4:C-4:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|C<4>,2|O<2>,6|H<1>}	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2{1|O<2>,3|C<4>,4|H<1>}	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(H){2|O<2>,3|C<4>,4|H<1>}	113.5760	0.000	1	113.5760	0.000	1	114.2575	0.929	2	114.2575	0.929	2	112.4904	6.998	24	112.5471	4.364	106
999	466	474	6:SP3_SP3_SP3	N[5,6]	C[6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	N[5,6]-4:C[6]-4:H-1:H-1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C[6](N[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(H)2	C[5,6](N[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HO)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,6|H<1>}	C[6](N[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[5,6](N[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HO)(H){1|C<4>,1|O<2>,7|H<1>}	111.6720	0.000	1	111.6720	0.000	1	111.6720	0.000	1	111.6720	0.000	1	112.4904	6.998	24	112.5471	4.364	106
999	466	490	0:SP3_SP3_SP3	N[5,6]	C[6,6]	C	4:4:4:4:	4:3:4:1:	4:1:1:1:	C[5,5,6]-4:C[6,6]-4:C[5]-4:C-4:	N[5,6]-4:C[5,6]-3:C[6,6]-4:H-1:	N[5,6]-4:H-1:H-1:H-1:	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CH3)	C[6,6](N[5,6]C[5,5,6]C[5]C)(C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(H)	C(N[5,6]C[5,5,6]C[6,6]C[5])(H)3	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CH3){1|C<3>,3|H<1>,7|C<4>}	C[6,6](N[5,6]C[5,5,6]C[5]C)(C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(H){1|O<2>,7|C<4>,7|H<1>}	C(N[5,6]C[5,5,6]C[6,6]C[5])(H)3	112.1250	0.000	1	112.1250	0.000	1	112.1250	0.000	1	112.1250	0.000	1	112.1250	0.000	1	110.7569	3.230	17
999	466	490	0:SP3_SP3_SP3	N[5,6]	C[6]	C	3:4:3:4:	4:4:1:1:	4:1:1:1:	C[5,6]-3:C[6]-4:C[5]-3:C-4:	N[5,6]-4:C[6]-4:H-1:H-1:	N[5,6]-4:H-1:H-1:H-1:	N[5,6](C[5,6]C[6,6a]C[5])(C[6]C[6]HH)(C[5]C[5]C)(CH3)	C[6](N[5,6]C[5,6]C[5]C)(C[6]C[6,6a]HH)(H)2	C(N[5,6]C[5,6]C[5]C[6])(H)3	N[5,6](C[5,6]C[6,6a]C[5])(C[6]C[6]HH)(C[5]C[5]C)(CH3){1|O<1>,2|C<3>,3|H<1>}	C[6](N[5,6]C[5,6]C[5]C)(C[6]C[6,6a]HH)(H)2{1|N<2>,4|C<3>}	C(N[5,6]C[5,6]C[5]C[6])(H)3	111.9765	0.175	2	111.9765	0.031	2	111.7500	0.169	3	111.7500	0.169	3	110.7198	3.509	15	110.7569	3.230	17
999	466	490	0:SP3_SP3_SP3	N[5,6]	C[6]	C	3:4:3:4:	4:4:1:1:	4:1:1:1:	C[5,6]-3:C[6]-4:C[5]-3:C-4:	N[5,6]-4:C[6]-4:H-1:H-1:	N[5,6]-4:H-1:H-1:H-1:	N[5,6](C[5,6]C[6,6a]C[5])(C[6]C[6]HH)(C[5]C[5]H)(CH3)	C[6](N[5,6]C[5,6]C[5]C)(C[6]C[6,6a]HH)(H)2	C(N[5,6]C[5,6]C[5]C[6])(H)3	N[5,6](C[5,6]C[6,6a]C[5])(C[6]C[6]HH)(C[5]C[5]H)(CH3){1|O<1>,2|C<3>,3|H<1>}	C[6](N[5,6]C[5,6]C[5]C)(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<2>,3|C<3>}	C(N[5,6]C[5,6]C[5]C[6])(H)3	111.2970	0.000	1	111.2970	0.000	1	111.7500	0.169	3	111.7500	0.169	3	110.7198	3.509	15	110.7569	3.230	17
999	466	490	0:SP3_SP3_SP3	N[5,6]	C[6]	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-4:O[5,6]-2:C[6]-4:C-4:	N[5,6]-4:C[6,6]-4:H-1:H-1:	N[5,6]-4:H-1:H-1:H-1:	N[5,6](C[5,6]C[5,6,6]C[6]H)(O[5,6]C[5,6,6])(C[6]C[6,6]HH)(CH3)	C[6](N[5,6]C[5,6]O[5,6]C)(C[6,6]C[6,6]C[6]H)(H)2	C(N[5,6]C[5,6]O[5,6]C[6])(H)3	N[5,6](C[5,6]C[5,6,6]C[6]H)(O[5,6]C[5,6,6])(C[6]C[6,6]HH)(CH3){2|C<3>,3|C<4>,4|H<1>}	C[6](N[5,6]C[5,6]O[5,6]C)(C[6,6]C[6,6]C[6]H)(H)2{4|C<4>,5|H<1>}	C(N[5,6]C[5,6]O[5,6]C[6])(H)3	112.5920	0.000	1	112.5920	0.000	1	112.5920	0.000	1	112.5920	0.000	1	110.7198	3.509	15	110.7569	3.230	17
999	466	490	0:SP3_SP3_SP3	N[5,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	N[5,6]-4:C[6]-4:H-1:H-1:	N[5,6]-4:H-1:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C[6](N[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(H)2	C(N[5,6]C[5,6]C[5]C[6])(H)3	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,6|H<1>}	C[6](N[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C(N[5,6]C[5,6]C[5]C[6])(H)3	110.1510	0.000	1	110.1510	0.000	1	110.1510	0.000	1	110.1510	0.000	1	110.7198	3.509	15	110.7569	3.230	17
999	466	490	0:SP3_SP3_SP3	N[5,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	N[5,6]-4:C[6]-4:H-1:H-1:	N[5,6]-4:C[6a]-3:H-1:H-1:	N[5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CC[6a]HH)	C[6](N[5,6]C[5,6,6]C[5]C)(C[6]N[5,6]HH)(H)2	C(N[5,6]C[5,6,6]C[5]C[6])(C[6a]C[6a]N[6a])(H)2	N[5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|N<3>,1|N<4>,5|H<1>}	C[6](N[5,6]C[5,6,6]C[5]C)(C[6]N[5,6]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	C(N[5,6]C[5,6,6]C[5]C[6])(C[6a]C[6a]N[6a])(H)2	112.5595	0.152	2	112.5150	0.017	3	112.5150	0.017	3	112.5150	0.017	3	110.7198	3.509	15	110.7569	3.230	17
999	466	490	0:SP3_SP3_SP3	N[5,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	N[5,6]-4:C[6]-4:H-1:H-1:	N[5,6]-4:C[6a]-3:H-1:H-1:	N[5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CC[6a]HH)	C[6](N[5,6]C[5,6,6]C[5]C)(C[6]N[5,6]HH)(H)2	C(N[5,6]C[5,6,6]C[5]C[6])(C[6a]C[6a]N[6a])(H)2	N[5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,2|N<3>,5|H<1>}	C[6](N[5,6]C[5,6,6]C[5]C)(C[6]N[5,6]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	C(N[5,6]C[5,6,6]C[5]C[6])(C[6a]C[6a]N[6a])(H)2	112.4260	0.000	1	112.5150	0.017	3	112.5150	0.017	3	112.5150	0.017	3	110.7198	3.509	15	110.7569	3.230	17
999	466	490	0:SP3_SP3_SP3	N[5,6]	C[6]	C	5:4:2:4:	4:4:1:1:	4:1:1:1:	In[5,5,6,6]-5:C[6]-4:O[5]-2:C-4:	N[5,6]-4:C[6]-4:H-1:H-1:	N[5,6]-4:H-1:H-1:H-1:	N[5,6](In[5,5,6,6]N[5,6]O[5,6]2C)(C[6]C[6]HH)(O[5]Ga[5])(CH3)	C[6](N[5,6]In[5,5,6,6]O[5]C)(C[6]N[6]HH)(H)2	C(N[5,6]In[5,5,6,6]C[6]O[5])(H)3	N[5,6](In[5,5,6,6]N[5,6]O[5,6]2C)(C[6]C[6]HH)(O[5]Ga[5])(CH3){1|Ga<4>,1|O<2>,2|H<1>,2|N<3>,4|C<4>}	C[6](N[5,6]In[5,5,6,6]O[5]C)(C[6]N[6]HH)(H)2{1|Ga<4>,1|N<4>,2|C<4>,2|O<3>}	C(N[5,6]In[5,5,6,6]C[6]O[5])(H)3	108.9600	0.352	2	108.9600	0.124	2	108.9600	0.124	2	108.9600	0.124	2	110.7198	3.509	15	110.7569	3.230	17
999	466	490	0:SP3_SP3_SP3	N[5,6]	C[6]	C	5:4:4:4:	3:4:1:1:	4:1:1:1:	In[5,6]-5:C[6]-4:C[5]-4:C-4:	C[6,6a]-3:N[5,6]-4:H-1:H-1:	N[5,6]-4:H-1:H-1:H-1:	N[5,6](In[5,6]N[5]O[6]Cl2)(C[6]C[6,6a]HH)(C[5]C[5]HH)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]In[5,6]C[5]C)(H)2	C(N[5,6]In[5,6]C[5]C[6])(H)3	N[5,6](In[5,6]N[5]O[6]Cl2)(C[6]C[6,6a]HH)(C[5]C[5]HH)(CH3){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]In[5,6]C[5]C)(H)2{2|Cl<1>,1|C<4>,1|N<4>,1|O<2>,2|C<3>,3|H<1>}	C(N[5,6]In[5,6]C[5]C[6])(H)3	110.4980	0.000	1	110.4980	0.000	1	110.4980	0.000	1	110.4980	0.000	1	110.7198	3.509	15	110.7569	3.230	17
999	466	490	0:SP3_SP3_SP3	N[5,6]	C[6]	C	5:4:4:4:	3:4:1:1:	4:4:1:1:	Ga[5,6]-5:C[6]-4:C[5]-4:C-4:	C[6,6a]-3:N[5,6]-4:H-1:H-1:	N[5,6]-4:C-4:H-1:H-1:	N[5,6](Ga[5,6]O[5]O[6]OO)(C[6]C[6,6a]HH)(C[5]C[5]HH)(CCHH)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]Ga[5,6]C[5]C)(H)2	C(N[5,6]Ga[5,6]C[5]C[6])(CHHN)(H)2	N[5,6](Ga[5,6]O[5]O[6]OO)(C[6]C[6,6a]HH)(C[5]C[5]HH)(CCHH){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]Ga[5,6]C[5]C)(H)2{1|O<3>,3|C<3>,3|H<1>,3|O<2>}	C(N[5,6]Ga[5,6]C[5]C[6])(CHHN)(H)2	111.6780	0.000	1	111.6780	0.000	1	111.6780	0.000	1	111.6780	0.000	1	110.7198	3.509	15	110.7569	3.230	17
999	466	490	0:SP3_SP3_SP3	N[5,6]	C[6]	C	5:4:4:4:	4:3:1:1:	4:1:1:1:	In[5,6,6]-5:C[6]-4:C[5]-4:C-4:	N[5,6]-4:C[6,6a]-3:H-1:H-1:	N[5,6]-4:H-1:H-1:H-1:	N[5,6](In[5,6,6]N[5,6]O[6]2Cl)(C[6]C[6,6a]HH)(C[5]C[5]HH)(CH3)	C[6](N[5,6]In[5,6,6]C[5]C)(C[6,6a]C[6,6a]C[6a])(H)2	C(N[5,6]In[5,6,6]C[5]C[6])(H)3	N[5,6](In[5,6,6]N[5,6]O[6]2Cl)(C[6]C[6,6a]HH)(C[5]C[5]HH)(CH3){2|C<4>,2|H<1>,3|C<3>}	C[6](N[5,6]In[5,6,6]C[5]C)(C[6,6a]C[6,6a]C[6a])(H)2{1|Cl<1>,1|C<4>,1|N<4>,2|C<3>,2|O<2>,3|H<1>}	C(N[5,6]In[5,6,6]C[5]C[6])(H)3	109.5680	0.339	2	109.5680	0.115	2	109.5680	0.115	2	109.5680	0.115	2	110.7198	3.509	15	110.7569	3.230	17
999	466	490	0:SP3_SP3_SP3	N[5,6]	C[6]	C	7:4:4:4:	4:3:1:1:	4:1:1:1:	Nb[3,5,6]-7:C[6]-4:C[5]-4:C-4:	N[5,6]-4:C[6,6a]-3:H-1:H-1:	N[5,6]-4:H-1:H-1:H-1:	N[5,6](Nb[3,5,6]C[3]2N[5]O[6]Cl2)(C[6]C[6,6a]HH)(C[5]C[5]HH)(CH3)	C[6](N[5,6]Nb[3,5,6]C[5]C)(C[6,6a]C[6,6a]C[6a])(H)2	C(N[5,6]Nb[3,5,6]C[5]C[6])(H)3	N[5,6](Nb[3,5,6]C[3]2N[5]O[6]Cl2)(C[6]C[6,6a]HH)(C[5]C[5]HH)(CH3){2|C<3>,2|H<1>,4|C<4>}	C[6](N[5,6]Nb[3,5,6]C[5]C)(C[6,6a]C[6,6a]C[6a])(H)2{2|Cl<1>,1|C<4>,1|N<4>,1|O<2>,3|H<1>,4|C<3>}	C(N[5,6]Nb[3,5,6]C[5]C[6])(H)3	106.0270	0.000	1	106.0270	0.000	1	106.0270	0.000	1	106.0270	0.000	1	110.7198	3.509	15	110.7569	3.230	17
999	466	490	0:SP3_SP3_SP3	N[5]	C[6]	C	4:4:4:4:	4:4:4:1:	4:3:1:1:	C[5]-4:C[5]-4:C[6]-4:C-4:	C[6]-4:C[6]-4:N[5]-4:H-1:	N[5]-4:C-3:H-1:H-1:	N[5](C[5]C[5]HH)2(C[6]C[6]2H)(CCHH)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(N[5]C[5]2C)(H)	C(N[5]C[5]2C[6])(CCH)(H)2	N[5](C[5]C[5]HH)2(C[6]C[6]2H)(CCHH){1|C<3>,1|C<4>,8|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(N[5]C[5]2C)(H){1|C<3>,3|C<4>,6|H<1>}	C(N[5]C[5]2C[6])(CCH)(H)2	109.9450	0.000	1	109.9450	0.000	1	109.9450	0.000	1	109.9450	0.000	1	109.9450	0.000	1	110.7569	3.230	17
999	466	542	6:SP3_SP3_SP3	N[5,6,6]	C[3x6]	N[5,6,6]	3:4:4:1:	4:4:4:1:	4:4:4:	N[5,6,6]-3:C[5]-4:C[3x6]-4:H-1:	N[5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	N[5,6,6]-4:C[5,5,6]-4:C[3x6]-4:	N[5,6,6](N[5,6,6]C[5,5,6]C[3x6])(C[5]C[5,5,6]C[6a]H)(C[3x6]C[6,6]2H)(H)	C[3x6](N[5,6,6]N[5,6,6]C[5]H)(C[6,6]C[6,6]HH)2(H)	N[5,6,6](N[5,6,6]C[3x6]C[5]H)(C[5,5,6]C[5,5,6]2H)(C[3x6]C[6,6]2H)	N[5,6,6](N[5,6,6]C[5,5,6]C[3x6])(C[5]C[5,5,6]C[6a]H)(C[3x6]C[6,6]2H)(H){2|C<3>,4|C<4>,7|H<1>}	C[3x6](N[5,6,6]N[5,6,6]C[5]H)(C[6,6]C[6,6]HH)2(H){1|C<3>,3|C<4>,5|H<1>}	N[5,6,6](N[5,6,6]C[3x6]C[5]H)(C[5,5,6]C[5,5,6]2H)(C[3x6]C[6,6]2H){1|C<3>,5|C<4>,8|H<1>}	111.6810	0.000	1	111.6810	0.000	1	111.6810	0.000	1	111.6810	0.000	1	111.6810	0.000	1	111.6810	0.000	1
999	466	578	6:SP3_SP3_SPD6	N[5,5,6]	C[6]	Ga[4x5,6,6]	6:4:4:4:	4:3:1:1:	4:4:4:4:2:2:	Ga[4x5,6,6]-6:C[6]-4:C[5]-4:C[5]-4:	N[5,5,6]-4:C[6,6a]-3:H-1:H-1:	N[5,5,6]-4:N[5,5,6]-4:N[5,5]-4:N[5,5]-4:O[6]-2:O[6]-2:	N[5,5,6](Ga[4x5,6,6]N[5,5,6]N[5,5]2O[6]2)(C[6]C[6,6a]HH)(C[5]C[5]HH)2	C[6](N[5,5,6]Ga[4x5,6,6]C[5]2)(C[6,6a]C[6,6a]C[6a])(H)2	Ga[4x5,6,6](N[5,5,6]C[5]2C[6])2(N[5,5]C[5]2H)2(O[6]C[6,6a])2	N[5,5,6](Ga[4x5,6,6]N[5,5,6]N[5,5]2O[6]2)(C[6]C[6,6a]HH)(C[5]C[5]HH)2{3|C<3>,5|C<4>,6|H<1>}	C[6](N[5,5,6]Ga[4x5,6,6]C[5]2)(C[6,6a]C[6,6a]C[6a])(H)2{2|C<3>,2|C<4>,2|O<2>,3|N<4>,5|H<1>}	Ga[4x5,6,6](N[5,5,6]C[5]2C[6])2(N[5,5]C[5]2H)2(O[6]C[6,6a])2{20|H<1>,4|C<3>}	108.5870	0.263	2	108.5870	0.069	2	108.5870	0.069	2	108.5870	0.069	2	108.5870	0.069	2	111.2746	8.803	7
999	466	578	6:SP3_SP3_SPD6	N[5,6,6]	C[3x6]	Ga[3x5,3x6]	6:4:4:1:	4:4:4:1:	4:4:4:2:2:2:	Ga[3x5,3x6]-6:C[3x6]-4:C[5]-4:H-1:	N[5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	N[5,6,6]-4:N[5,6,6]-4:N[5,6,6]-4:O[5]-2:O[5]-2:O[5]-2:	N[5,6,6](Ga[3x5,3x6]N[5,6,6]2O[5]3)(C[3x6]C[6,6]2H)(C[5]C[5]HH)(H)	C[3x6](N[5,6,6]Ga[3x5,3x6]C[5]H)(C[6,6]C[3x6]HH)2(H)	Ga[3x5,3x6](N[5,6,6]C[3x6]C[5]H)3(O[5]C[5])3	N[5,6,6](Ga[3x5,3x6]N[5,6,6]2O[5]3)(C[3x6]C[6,6]2H)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,4|C<4>,6|H<1>}	C[3x6](N[5,6,6]Ga[3x5,3x6]C[5]H)(C[6,6]C[3x6]HH)2(H){1|C<3>,1|C<4>,2|N<4>,3|O<2>,4|H<1>}	Ga[3x5,3x6](N[5,6,6]C[3x6]C[5]H)3(O[5]C[5])3{3|C<4>,3|O<1>,9|H<1>}	116.4210	0.000	1	116.4210	0.000	1	116.4210	0.000	1	116.4210	0.000	1	116.4210	0.000	1	111.2746	8.803	7
999	466	578	6:SP3_SP3_SPD6	N[5,6]	C[6]	Ga[3x5,6,6]	6:4:4:1:	4:3:1:1:	3:4:4:4:2:2:	Ga[3x5,6,6]-6:C[6]-4:C[5]-4:H-1:	N[5,6]-4:C[6,6a]-3:H-1:H-1:	N[5,6]-3:N[5,6]-4:N[5,6]-4:N[3x5]-4:O[6]-2:O[6]-2:	N[5,6](Ga[3x5,6,6]N[3x5]N[5,6]2O[6]2)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H)	C[6](N[5,6]Ga[3x5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(H)2	Ga[3x5,6,6](N[5,6]C[5,6]C[6])(N[5,6]C[5]C[6]H)2(N[3x5]C[5]3)(O[6]C[6,6a])2	N[5,6](Ga[3x5,6,6]N[3x5]N[5,6]2O[6]2)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H){3|H<1>,4|C<4>,5|C<3>}	C[6](N[5,6]Ga[3x5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|N<3>,2|C<3>,2|N<4>,2|O<2>,3|H<1>}	Ga[3x5,6,6](N[5,6]C[5,6]C[6])(N[5,6]C[5]C[6]H)2(N[3x5]C[5]3)(O[6]C[6,6a])2{15|H<1>,6|C<3>}	111.3317	1.983	4	111.3317	3.934	4	111.3317	3.934	4	111.3317	3.934	4	111.3317	3.934	4	111.2746	8.803	7
999	466	643	6:SP3_SP2_SP3	N[5,6]	C[6]	C[6,6a]	3:4:4:4:	4:4:1:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[5]-4:C[5]-4:	N[5,6]-4:B[5,6]-4:F-1:F-1:	C[6,6a]-3:N[5,6]-4:C[6a]-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[6]B[5,6]FF)(C[5]C[5]HH)2	C[6](N[5,6]C[6,6a]C[5]2)(B[5,6]O[5]2O[6])(F)2	C[6,6a](C[6,6a]C[6a]O[6])(N[5,6]C[5]2C[6])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[6]B[5,6]FF)(C[5]C[5]HH)2{2|C<3>,3|O<2>,5|H<1>}	C[6](N[5,6]C[6,6a]C[5]2)(B[5,6]O[5]2O[6])(F)2{2|C<3>,4|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(N[5,6]C[5]2C[6])(C[6a]C[6a]H){1|B<4>,1|C<3>,2|C<4>,2|F<1>,6|H<1>}	108.6470	0.000	1	108.6470	0.000	1	108.6470	0.000	1	108.6470	0.000	1	108.6470	0.000	1	108.6470	0.000	1
999	466	679	0:SP3_SP3_SP3	N[5,6]	C[6]	B[5,5a]	4:3:4:4:	4:4:1:1:	4:3:2:2:	B[5,5a]-4:C[5,5]-3:C[6]-4:C[6]-4:	N[5,6]-4:C[6]-4:H-1:H-1:	N[5,6]-4:C[5]-3:O[5a]-2:O[5a]-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	C[6](N[5,6]B[5,5a]C[5,5]C[6])(C[6]C[6]HH)(H)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	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>}	C[6](N[5,6]B[5,5a]C[5,5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|O<2>,3|C<3>,4|H<1>}	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>}	113.5020	0.000	1	113.5020	0.000	1	113.5020	0.000	1	113.5020	0.000	1	113.5020	0.000	1	113.5020	0.000	1
999	466	727	0:SP3_SP2_SP3	N[5,6]	C[6]	C[5,6a]	3:4:4:1:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	N[5,6]-4:C[6]-4:H-1:H-1:	N[5,6]-4:C[5,6a]-3:C[6a]-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[6](N[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(H)2	C[5,6a](N[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6](N[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5,6a](N[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,7|H<1>}	109.1950	0.000	1	109.1950	0.000	1	109.1950	0.000	1	109.1950	0.000	1	109.1950	0.000	1	109.1950	0.000	1
999	466	786	0:SP3_SP3_SP3	N[5,5]	C[6,6]	B[5,5]	4:4:4:4:	4:4:4:1:	4:2:2:3:	C[6,6]-4:B[5,5]-4:C[5]-4:C[5]-4:	N[5,5]-4:C[6,6]-4:C[6,6]-4:H-1:	N[5,5]-4:O[5]-2:O[5]-2:C-3:	N[5,5](C[6,6]C[6,6]2H)(B[5,5]O[5]2C)(C[5]C[5]HH)2	C[6,6](N[5,5]B[5,5]C[5]2)(C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(H)	B[5,5](N[5,5]C[6,6]C[5]2)(O[5]C[5])2(CCH)	N[5,5](C[6,6]C[6,6]2H)(B[5,5]O[5]2C)(C[5]C[5]HH)2{2|O<1>,3|C<4>,3|H<1>}	C[6,6](N[5,5]B[5,5]C[5]2)(C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(H){2|C<4>,2|O<2>,3|C<3>,6|H<1>}	B[5,5](N[5,5]C[6,6]C[5]2)(O[5]C[5])2(CCH){2|C<4>,2|O<1>,5|H<1>}	116.1030	0.000	1	116.1030	0.000	1	116.1030	0.000	1	116.1030	0.000	1	116.7070	0.235	4	116.0870	7.148	6
999	466	786	0:SP3_SP3_SP3	N[5,5]	C[6,6]	B[5,5]	4:4:4:4:	4:4:4:1:	4:4:2:2:	B[5,5]-4:C[6,6]-4:C[5]-4:C[5]-4:	N[5,5]-4:C[6,6]-4:C[6,6]-4:H-1:	N[5,5]-4:C[3]-4:O[5]-2:O[5]-2:	N[5,5](B[5,5]C[3]O[5]2)(C[6,6]C[6,6]2H)(C[5]C[5]HH)2	C[6,6](N[5,5]B[5,5]C[5]2)(C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(H)	B[5,5](N[5,5]C[6,6]C[5]2)(C[3]C[3]O[3]H)(O[5]C[5])2	N[5,5](B[5,5]C[3]O[5]2)(C[6,6]C[6,6]2H)(C[5]C[5]HH)2{1|O<2>,2|O<1>,4|C<4>,4|H<1>}	C[6,6](N[5,5]B[5,5]C[5]2)(C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(H){2|C<3>,2|O<2>,3|C<4>,6|H<1>}	B[5,5](N[5,5]C[6,6]C[5]2)(C[3]C[3]O[3]H)(O[5]C[5])2{1|C<3>,2|C<4>,2|O<1>,6|H<1>}	116.6130	0.000	1	116.9083	0.110	3	116.9083	0.110	3	116.9083	0.110	3	116.7070	0.235	4	116.0870	7.148	6
999	466	786	0:SP3_SP3_SP3	N[5,5]	C[6,6]	B[5,5]	4:4:4:4:	4:4:4:1:	4:4:2:2:	B[5,5]-4:C[6,6]-4:C[5]-4:C[5]-4:	N[5,5]-4:C[6,6]-4:C[6,6]-4:H-1:	N[5,5]-4:C[3]-4:O[5]-2:O[5]-2:	N[5,5](B[5,5]C[3]O[5]2)(C[6,6]C[6,6]2H)(C[5]C[5]HH)2	C[6,6](N[5,5]B[5,5]C[5]2)(C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(H)	B[5,5](N[5,5]C[6,6]C[5]2)(C[3]C[3]O[3]H)(O[5]C[5])2	N[5,5](B[5,5]C[3]O[5]2)(C[6,6]C[6,6]2H)(C[5]C[5]HH)2{1|O<2>,2|O<1>,4|C<4>,4|H<1>}	C[6,6](N[5,5]B[5,5]C[5]2)(C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(H){2|C<3>,2|O<2>,3|C<4>,6|H<1>}	B[5,5](N[5,5]C[6,6]C[5]2)(C[3]C[3]O[3]H)(O[5]C[5])2{2|C<4>,2|O<1>,7|H<1>}	117.2660	0.000	1	116.9083	0.110	3	116.9083	0.110	3	116.9083	0.110	3	116.7070	0.235	4	116.0870	7.148	6
999	466	786	0:SP3_SP3_SP3	N[5,5]	C[6,6]	B[5,5]	4:4:4:4:	4:4:4:1:	4:4:2:2:	B[5,5]-4:C[6,6]-4:C[5]-4:C[5]-4:	N[5,5]-4:C[6,6]-4:C[6,6]-4:H-1:	N[5,5]-4:C[3]-4:O[5]-2:O[5]-2:	N[5,5](B[5,5]C[3]O[5]2)(C[6,6]C[6,6]2H)(C[5]C[5]HH)2	C[6,6](N[5,5]B[5,5]C[5]2)(C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(H)	B[5,5](N[5,5]C[6,6]C[5]2)(C[3]C[3]O[3]H)(O[5]C[5])2	N[5,5](B[5,5]C[3]O[5]2)(C[6,6]C[6,6]2H)(C[5]C[5]HH)2{1|O<2>,2|O<1>,4|C<4>,4|H<1>}	C[6,6](N[5,5]B[5,5]C[5]2)(C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(H){2|C<3>,2|O<2>,3|C<4>,6|H<1>}	B[5,5](N[5,5]C[6,6]C[5]2)(C[3]C[3]O[3]H)(O[5]C[5])2{2|O<1>,3|C<4>,6|H<1>}	116.8460	0.000	1	116.9083	0.110	3	116.9083	0.110	3	116.9083	0.110	3	116.7070	0.235	4	116.0870	7.148	6
999	466	786	0:SP3_SP3_SP3	N[5,6]	C[6]	B[5]	4:4:4:4:	4:4:1:1:	4:3:1:1:	B[5]-4:C[5]-4:C[6]-4:C[6]-4:	N[5,6]-4:C[6]-4:H-1:H-1:	N[5,6]-4:N[5]-3:Cl-1:H-1:	N[5,6](B[5]N[5]ClH)(C[5]C[5]HH)(C[6]C[6]HH)2	C[6](N[5,6]B[5]C[5]C[6])(C[6]C[6]HH)(H)2	B[5](N[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(Cl)(H)	N[5,6](B[5]N[5]ClH)(C[5]C[5]HH)(C[6]C[6]HH)2{1|C<3>,1|C<4>,6|H<1>}	C[6](N[5,6]B[5]C[5]C[6])(C[6]C[6]HH)(H)2{1|Cl<1>,1|N<3>,2|C<4>,7|H<1>}	B[5](N[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(Cl)(H){2|C<3>,2|C<4>,8|H<1>}	114.8470	5.515	2	114.8470	30.420	2	114.8470	30.420	2	114.8470	30.420	2	114.8470	30.420	2	116.0870	7.148	6
999	466	818	0:SP3_SP2_SP3	N[5,6]	C[6]	C[5,5]	4:3:4:4:	4:4:1:1:	4:3:3:	B[5,5a]-4:C[5,5]-3:C[6]-4:C[6]-4:	N[5,6]-4:C[6]-4:H-1:H-1:	N[5,6]-4:C[5,5]-3:C[5]-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	C[6](N[5,6]B[5,5a]C[5,5]C[6])(C[6]C[6]HH)(H)2	C[5,5](N[5,6]B[5,5a]C[6]2)(C[5,5]N[5,6]C[5])(C[5]B[5,5a]N[6])	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>}	C[6](N[5,6]B[5,5a]C[5,5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|O<2>,3|C<3>,4|H<1>}	C[5,5](N[5,6]B[5,5a]C[6]2)(C[5,5]N[5,6]C[5])(C[5]B[5,5a]N[6]){1|N<3>,4|H<1>,4|O<2>,6|C<4>}	108.0510	0.000	1	108.0510	0.000	1	108.0510	0.000	1	108.0510	0.000	1	108.0510	0.000	1	110.0998	2.066	4
999	466	818	0:SP3_SP2_SP3	N[5,6]	C[6]	C[5]	3:4:3:4:	4:4:1:1:	4:3:1:	C[5,6]-3:C[6]-4:C[5]-3:C-4:	N[5,6]-4:C[6]-4:H-1:H-1:	N[5,6]-4:C[5]-3:H-1:	N[5,6](C[5,6]C[6,6a]C[5])(C[6]C[6]HH)(C[5]C[5]H)(CH3)	C[6](N[5,6]C[5,6]C[5]C)(C[6]C[6,6a]HH)(H)2	C[5](N[5,6]C[5,6]C[6]C)(C[5]C[5]H)(H)	N[5,6](C[5,6]C[6,6a]C[5])(C[6]C[6]HH)(C[5]C[5]H)(CH3){1|O<1>,2|C<3>,3|H<1>}	C[6](N[5,6]C[5,6]C[5]C)(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<2>,3|C<3>}	C[5](N[5,6]C[5,6]C[6]C)(C[5]C[5]H)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	110.4000	0.000	1	110.4000	0.000	1	110.4000	0.000	1	110.4000	0.000	1	110.7827	0.301	3	110.0998	2.066	4
999	466	818	0:SP3_SP2_SP3	N[5,6]	C[6]	C[5]	3:4:3:4:	4:4:1:1:	4:3:3:	C[5,6]-3:C[6]-4:C[5]-3:C-4:	N[5,6]-4:C[6]-4:H-1:H-1:	N[5,6]-4:C[5]-3:C-3:	N[5,6](C[5,6]C[6,6a]C[5])(C[6]C[6]HH)(C[5]C[5]C)(CH3)	C[6](N[5,6]C[5,6]C[5]C)(C[6]C[6,6a]HH)(H)2	C[5](N[5,6]C[5,6]C[6]C)(C[5]C[5]H)(COO)	N[5,6](C[5,6]C[6,6a]C[5])(C[6]C[6]HH)(C[5]C[5]C)(CH3){1|O<1>,2|C<3>,3|H<1>}	C[6](N[5,6]C[5,6]C[5]C)(C[6]C[6,6a]HH)(H)2{1|N<2>,4|C<3>}	C[5](N[5,6]C[5,6]C[6]C)(C[5]C[5]H)(COO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	110.9740	0.618	2	110.9740	0.382	2	110.9740	0.382	2	110.9740	0.382	2	110.7827	0.301	3	110.0998	2.066	4
999	466	818	6:SP3_SP2_SP3	N[5,6]	C[6]	C[5,6]	3:4:3:4:	4:4:1:1:	3:4:3:	C[5,6]-3:C[6]-4:C[5]-3:C-4:	N[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:N[5,6]-4:C[5]-3:	N[5,6](C[5,6]C[6,6a]C[5])(C[6]C[6]HH)(C[5]C[5]C)(CH3)	C[6](N[5,6]C[5,6]C[5]C)(C[6]C[6,6a]HH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6]C)(C[5]C[5]O)	N[5,6](C[5,6]C[6,6a]C[5])(C[6]C[6]HH)(C[5]C[5]C)(CH3){1|O<1>,2|C<3>,3|H<1>}	C[6](N[5,6]C[5,6]C[5]C)(C[6]C[6,6a]HH)(H)2{1|N<2>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6]C)(C[5]C[5]O){1|C<2>,1|C<4>,1|N<2>,2|C<3>,3|H<1>}	109.4240	0.301	2	109.4240	0.091	2	109.4903	0.059	3	109.4903	0.059	3	109.4903	0.059	3	109.4903	0.059	3
999	466	818	6:SP3_SP2_SP3	N[5,6]	C[6]	C[5,6]	3:4:3:4:	4:4:1:1:	3:4:3:	C[5,6]-3:C[6]-4:C[5]-3:C-4:	N[5,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:N[5,6]-4:C[5]-3:	N[5,6](C[5,6]C[6,6a]C[5])(C[6]C[6]HH)(C[5]C[5]H)(CH3)	C[6](N[5,6]C[5,6]C[5]C)(C[6]C[6,6a]HH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6]C)(C[5]C[5]O)	N[5,6](C[5,6]C[6,6a]C[5])(C[6]C[6]HH)(C[5]C[5]H)(CH3){1|O<1>,2|C<3>,3|H<1>}	C[6](N[5,6]C[5,6]C[5]C)(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<2>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6]C)(C[5]C[5]O){1|C<2>,1|C<3>,1|C<4>,1|N<2>,4|H<1>}	109.6230	0.000	1	109.6230	0.000	1	109.4903	0.059	3	109.4903	0.059	3	109.4903	0.059	3	109.4903	0.059	3
999	466	863	0:SP3_SP2_SP3	N[5,6]	C[6]	O	4:4:4:1:	4:3:1:1:	4:	C[5,6,6]-4:C[6]-4:C[5]-4:O-1:	N[5,6]-4:C[6,6a]-3:H-1:H-1:	N[5,6]-4:	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(O)	C[6](N[5,6]C[5,6,6]C[5]O)(C[6,6a]C[6,6a]C[6a])(H)2	O(N[5,6]C[5,6,6]C[5]C[6])	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(O){1|C<4>,3|C<3>,3|H<1>}	C[6](N[5,6]C[5,6,6]C[5]O)(C[6,6a]C[6,6a]C[6a])(H)2{2|C<4>,3|C<3>,4|H<1>}	O(N[5,6]C[5,6,6]C[5]C[6])	110.5400	0.000	1	110.5400	0.000	1	110.5400	0.000	1	110.5400	0.000	1	110.5400	0.000	1	110.5400	0.000	1
999	466	874	6:SP3_SP3_SP3	N[5,6]	C[6]	B[6]	4:4:4:4:	3:4:1:1:	3:4:1:1:	C[6]-4:B[6]-4:C[5]-4:C[5]-4:	C[6,6a]-3:N[5,6]-4:H-1:H-1:	N[6]-3:N[5,6]-4:F-1:F-1:	N[5,6](C[6]C[6,6a]HH)(B[6]N[6]FF)(C[5]C[5]HH)2	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]B[6]C[5]2)(H)2	B[6](N[6]C[6,6a]C[6a])(N[5,6]C[5]2C[6])(F)2	N[5,6](C[6]C[6,6a]HH)(B[6]N[6]FF)(C[5]C[5]HH)2{3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]B[6]C[5]2)(H)2{1|N<3>,2|C<3>,2|C<4>,2|F<1>,5|H<1>}	B[6](N[6]C[6,6a]C[6a])(N[5,6]C[5]2C[6])(F)2{2|C<4>,4|C<3>,6|H<1>}	107.0910	0.000	1	107.0910	0.000	1	107.0910	0.000	1	107.0910	0.000	1	107.0910	0.000	1	107.0910	0.000	1
999	466	885	0:SP3_SP-NON_SP3	N[5,6]	C[6]	Ga[5]	4:4:4:4:	4:4:1:1:	4:3:1:1:	Ga[5]-4:C[5]-4:C[6]-4:C[6]-4:	N[5,6]-4:C[6]-4:H-1:H-1:	N[5,6]-4:N[5]-3:Cl-1:H-1:	N[5,6](Ga[5]N[5]ClH)(C[5]C[5]HH)(C[6]C[6]HH)2	C[6](N[5,6]Ga[5]C[5]C[6])(C[6]C[6]HH)(H)2	Ga[5](N[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(Cl)(H)	N[5,6](Ga[5]N[5]ClH)(C[5]C[5]HH)(C[6]C[6]HH)2{1|C<3>,1|C<4>,6|H<1>}	C[6](N[5,6]Ga[5]C[5]C[6])(C[6]C[6]HH)(H)2{1|Cl<1>,1|N<3>,2|C<4>,7|H<1>}	Ga[5](N[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(Cl)(H){2|C<3>,2|C<4>,8|H<1>}	113.8350	3.640	2	113.8350	13.251	2	113.8350	13.251	2	113.8350	13.251	2	114.4313	8.093	4	114.4313	8.093	4
999	466	885	0:SP3_SP-NON_SP3	N[5,6]	C[6]	Ga[5]	4:4:4:4:	4:4:1:1:	4:4:3:1:	Ga[5]-4:C[5]-4:C[6]-4:C[6]-4:	N[5,6]-4:C[6]-4:H-1:H-1:	Ga[5]-4:N[5,6]-4:N[5]-3:Cl-1:	N[5,6](Ga[5]Ga[5]N[5]Cl)(C[5]C[5]HH)(C[6]C[6]HH)2	C[6](N[5,6]Ga[5]C[5]C[6])(C[6]C[6]HH)(H)2	Ga[5](Ga[5]N[5,6]N[5]Cl)(N[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(Cl)	N[5,6](Ga[5]Ga[5]N[5]Cl)(C[5]C[5]HH)(C[6]C[6]HH)2{1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,1|N<4>,6|H<1>}	C[6](N[5,6]Ga[5]C[5]C[6])(C[6]C[6]HH)(H)2{1|Cl<1>,1|Ga<4>,1|N<3>,2|C<4>,6|H<1>}	Ga[5](Ga[5]N[5,6]N[5]Cl)(N[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(Cl){3|C<3>,6|C<4>,8|H<1>}	115.0275	3.099	2	115.0275	9.605	2	115.0275	9.605	2	115.0275	9.605	2	114.4313	8.093	4	114.4313	8.093	4
999	466	939	0:SP3_SP2_SP3	N[5,6,6]	C[6]	Ge[5,6]	4:3:4:1:	4:4:1:1:	4:3:3:	C[5,6,6]-4:Ge[5,6]-3:C[6]-4:H-1:	N[5,6,6]-4:C[6]-4:H-1:H-1:	N[5,6,6]-4:N[5,6]-3:N[6,6]-3:	N[5,6,6](C[5,6,6]C[5,6]C[6,6]C)(Ge[5,6]N[5,6]N[6,6])(C[6]C[6]HH)(H)	C[6](N[5,6,6]C[5,6,6]Ge[5,6]H)(C[6]N[6]HH)(H)2	Ge[5,6](N[5,6,6]C[5,6,6]C[6]H)(N[5,6]C[5,6]C[6])(N[6,6]C[6,6]C[6])	N[5,6,6](C[5,6,6]C[5,6]C[6,6]C)(Ge[5,6]N[5,6]N[6,6])(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6](N[5,6,6]C[5,6,6]Ge[5,6]H)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>,2|N<3>}	Ge[5,6](N[5,6,6]C[5,6,6]C[6]H)(N[5,6]C[5,6]C[6])(N[6,6]C[6,6]C[6]){3|C<4>,4|C<3>,4|H<1>}	117.0530	0.000	1	117.0530	0.000	1	117.0530	0.000	1	117.0530	0.000	1	117.0530	0.000	1	117.0530	0.000	1
999	466	943	6:SP3_SP-NON_SP3	N[5,6]	C[6]	Ga[6]	4:4:4:4:	3:4:1:1:	4:2:2:1:	C[6]-4:Ga[6]-4:C[5]-4:C[5]-4:	C[6,6a]-3:N[5,6]-4:H-1:H-1:	N[5,6]-4:O[6]-2:O-2:Cl-1:	N[5,6](C[6]C[6,6a]HH)(Ga[6]O[6]ClO)(C[5]C[5]2H)(C[5]C[5]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]Ga[6]C[5]2)(H)2	Ga[6](N[5,6]C[5]2C[6])(O[6]C[6,6a])(OC[6a])(Cl)	N[5,6](C[6]C[6,6a]HH)(Ga[6]O[6]ClO)(C[5]C[5]2H)(C[5]C[5]HH){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]Ga[6]C[5]2)(H)2{1|Cl<1>,2|C<3>,2|O<2>,3|C<4>,4|H<1>}	Ga[6](N[5,6]C[5]2C[6])(O[6]C[6,6a])(OC[6a])(Cl){2|C<3>,3|C<4>,5|H<1>}	102.8420	0.000	1	102.8420	0.000	1	102.8420	0.000	1	102.8420	0.000	1	102.8420	0.000	1	102.8420	0.000	1
999	466	951	0:SP3_SP-NON_SP3	N[5,5]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[6]-4:H-1:	N[5,5]-4:C[6]-4:C[6]-4:H-1:	N[5,5]-4:	N[5,5](C[5,5,6]C[5,6]2H)2(C[6]C[6]2H)(H)	C[6](N[5,5]C[5,5,6]2H)(C[6]C[6]HH)2(H)	H(N[5,5]C[5,5,6]2C[6])	N[5,5](C[5,5,6]C[5,6]2H)2(C[6]C[6]2H)(H){12|H<1>,2|C<4>}	C[6](N[5,5]C[5,5,6]2H)(C[6]C[6]HH)2(H){5|C<4>,6|H<1>}	H(N[5,5]C[5,5,6]2C[6])	108.3140	0.000	1	108.3140	0.000	1	108.3140	0.000	1	108.3140	0.000	1	108.3140	0.000	1	107.3771	6.524	101
999	466	951	0:SP3_SP-NON_SP3	N[5,6,6]	C[3x6]	H	3:4:4:1:	4:4:4:1:	4:	N[5,6,6]-3:C[5]-4:C[3x6]-4:H-1:	N[5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	N[5,6,6]-4:	N[5,6,6](N[5,6,6]C[5,5,6]C[3x6])(C[5]C[5,5,6]C[6a]H)(C[3x6]C[6,6]2H)(H)	C[3x6](N[5,6,6]N[5,6,6]C[5]H)(C[6,6]C[6,6]HH)2(H)	H(N[5,6,6]N[5,6,6]C[3x6]C[5])	N[5,6,6](N[5,6,6]C[5,5,6]C[3x6])(C[5]C[5,5,6]C[6a]H)(C[3x6]C[6,6]2H)(H){2|C<3>,4|C<4>,7|H<1>}	C[3x6](N[5,6,6]N[5,6,6]C[5]H)(C[6,6]C[6,6]HH)2(H){1|C<3>,3|C<4>,5|H<1>}	H(N[5,6,6]N[5,6,6]C[3x6]C[5])	107.6100	0.000	1	107.6100	0.000	1	107.6100	0.000	1	107.6100	0.000	1	105.9025	5.831	2	107.3771	6.524	101
999	466	951	0:SP3_SP-NON_SP3	N[5,6,6]	C[3x6]	H	6:4:4:1:	4:4:4:1:	4:	Ga[3x5,3x6]-6:C[3x6]-4:C[5]-4:H-1:	N[5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	N[5,6,6]-4:	N[5,6,6](Ga[3x5,3x6]N[5,6,6]2O[5]3)(C[3x6]C[6,6]2H)(C[5]C[5]HH)(H)	C[3x6](N[5,6,6]Ga[3x5,3x6]C[5]H)(C[6,6]C[3x6]HH)2(H)	H(N[5,6,6]Ga[3x5,3x6]C[3x6]C[5])	N[5,6,6](Ga[3x5,3x6]N[5,6,6]2O[5]3)(C[3x6]C[6,6]2H)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,4|C<4>,6|H<1>}	C[3x6](N[5,6,6]Ga[3x5,3x6]C[5]H)(C[6,6]C[3x6]HH)2(H){1|C<3>,1|C<4>,2|N<4>,3|O<2>,4|H<1>}	H(N[5,6,6]Ga[3x5,3x6]C[3x6]C[5])	104.1950	0.000	1	104.1950	0.000	1	104.1950	0.000	1	104.1950	0.000	1	105.9025	5.831	2	107.3771	6.524	101
999	466	951	0:SP3_SP-NON_SP3	N[5,6,6]	C[6,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5,6]-4:C[6,6]-4:H-1:	N[5,6,6]-4:C[6,6]-4:H-1:H-1:	N[5,6,6]-4:	N[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,6]C[6,6a]C[5,6]H)(C[6,6]C[6,6]HH)(H)	C[6,6](N[5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6a]C[6]H)(H)2	H(N[5,6,6]C[5,6,6]C[5,6]C[6,6])	N[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,6]C[6,6a]C[5,6]H)(C[6,6]C[6,6]HH)(H){1|C<3>,1|N<2>,3|C<4>,5|H<1>}	C[6,6](N[5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6a]C[6]H)(H)2{2|C<3>,3|C<4>,4|H<1>}	H(N[5,6,6]C[5,6,6]C[5,6]C[6,6])	110.3130	0.000	1	110.3130	0.000	1	110.3130	0.000	1	110.3130	0.000	1	110.3130	0.000	1	107.3771	6.524	101
999	466	951	0:SP3_SP-NON_SP3	N[5,6,6]	C[6]	H	4:3:4:1:	4:4:1:1:	4:	C[5,6,6]-4:Ge[5,6]-3:C[6]-4:H-1:	N[5,6,6]-4:C[6]-4:H-1:H-1:	N[5,6,6]-4:	N[5,6,6](C[5,6,6]C[5,6]C[6,6]C)(Ge[5,6]N[5,6]N[6,6])(C[6]C[6]HH)(H)	C[6](N[5,6,6]C[5,6,6]Ge[5,6]H)(C[6]N[6]HH)(H)2	H(N[5,6,6]C[5,6,6]Ge[5,6]C[6])	N[5,6,6](C[5,6,6]C[5,6]C[6,6]C)(Ge[5,6]N[5,6]N[6,6])(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6](N[5,6,6]C[5,6,6]Ge[5,6]H)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>,2|N<3>}	H(N[5,6,6]C[5,6,6]Ge[5,6]C[6])	105.8720	0.000	1	105.8720	0.000	1	105.8720	0.000	1	105.8720	0.000	1	105.0380	18.708	5	107.3771	6.524	101
999	466	951	0:SP3_SP-NON_SP3	N[5,6,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,4x6]-4:C[5,6]-4:C[6]-4:H-1:	N[5,6,6]-4:C[6]-4:H-1:H-1:	N[5,6,6]-4:	N[5,6,6](C[5,5,4x6]C[5,5,6,6]C[5,3x6]C[6])(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(H)	C[6](N[5,6,6]C[5,5,4x6]C[5,6]H)(C[6]C[6]HH)(H)2	H(N[5,6,6]C[5,5,4x6]C[5,6]C[6])	N[5,6,6](C[5,5,4x6]C[5,5,6,6]C[5,3x6]C[6])(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(H){5|C<4>,6|H<1>}	C[6](N[5,6,6]C[5,5,4x6]C[5,6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(N[5,6,6]C[5,5,4x6]C[5,6]C[6])	111.8140	0.000	1	111.8140	0.000	1	111.8140	0.000	1	111.8140	0.000	1	105.0380	18.708	5	107.3771	6.524	101
999	466	951	0:SP3_SP-NON_SP3	N[5,6,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[5,3x6]-4:C[6]-4:H-1:	N[5,6,6]-4:C[6]-4:C-4:H-1:	N[5,6,6]-4:	N[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]C[6,6])(C[5,3x6]C[3x6]C[5,6]H)(C[6]C[6]CH)(H)	C[6](N[5,6,6]C[5,5,6,6]C[5,3x6]H)(C[6]C[6]HH)(CH3)(H)	H(N[5,6,6]C[5,5,6,6]C[5,3x6]C[6])	N[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]C[6,6])(C[5,3x6]C[3x6]C[5,6]H)(C[6]C[6]CH)(H){1|C<3>,5|C<4>,7|H<1>}	C[6](N[5,6,6]C[5,5,6,6]C[5,3x6]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,3|H<1>,4|C<4>}	H(N[5,6,6]C[5,5,6,6]C[5,3x6]C[6])	102.5013	2.112	3	102.5013	4.459	3	102.5013	4.459	3	102.5013	4.459	3	105.0380	18.708	5	107.3771	6.524	101
999	466	951	0:SP3_SP-NON_SP3	N[5,6]	C[6]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	N[5,6]-4:C[6]-4:H-1:H-1:	N[5,6]-4:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[6](N[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(H)2	H(N[5,6]C[5,6a]C[5,6]C[6])	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6](N[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(N[5,6]C[5,6a]C[5,6]C[6])	109.9120	0.000	1	109.9120	0.000	1	109.9120	0.000	1	109.9120	0.000	1	107.4855	5.983	88	107.3771	6.524	101
999	466	951	0:SP3_SP-NON_SP3	N[5,6]	C[6]	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	N[5,6]-4:C[6]-4:H-1:H-1:	N[5,6]-4:	N[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](N[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	H(N[5,6]C[5,6]C[6]O[5])	N[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,7|H<1>}	C[6](N[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{2|H<1>,4|C<4>}	H(N[5,6]C[5,6]C[6]O[5])	109.3915	1.105	2	109.3915	1.221	2	109.3915	1.221	2	109.3915	1.221	2	107.4855	5.983	88	107.3771	6.524	101
999	466	951	0:SP3_SP-NON_SP3	N[5,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:C[6]-3:H-1:H-1:	N[5,6]-4:	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](N[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]C)(H)2	H(N[5,6]C[5,6,6]C[5]C[6])	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](N[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]C)(H)2{4|C<4>,4|H<1>}	H(N[5,6]C[5,6,6]C[5]C[6])	107.3480	2.395	53	107.3480	5.736	53	107.3480	5.736	53	107.3561	5.463	56	107.4855	5.983	88	107.3771	6.524	101
999	466	951	0:SP3_SP-NON_SP3	N[5,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6,6]-4:C[6]-4:C[5]-4:H-1:	N[5,6]-4:C[6,6a]-3:H-1:H-1:	N[5,6]-4:	N[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H)	C[6](N[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(H)2	H(N[5,6]C[5,6,6]C[5]C[6])	N[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](N[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(H)2{2|C<3>,3|C<4>,4|H<1>}	H(N[5,6]C[5,6,6]C[5]C[6])	107.8655	1.155	2	107.4980	1.072	3	107.4980	1.072	3	107.3561	5.463	56	107.4855	5.983	88	107.3771	6.524	101
999	466	951	0:SP3_SP-NON_SP3	N[5,6]	C[6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6,6]-4:C[6]-4:C[5]-4:H-1:	N[5,6]-4:C[6,6a]-3:H-1:H-1:	N[5,6]-4:	N[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H)	C[6](N[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(H)2	H(N[5,6]C[5,6,6]C[5]C[6])	N[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](N[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(H)2{2|C<3>,3|C<4>,4|H<1>}	H(N[5,6]C[5,6,6]C[5]C[6])	106.7630	0.000	1	107.4980	1.072	3	107.4980	1.072	3	107.3561	5.463	56	107.4855	5.983	88	107.3771	6.524	101
999	466	951	0:SP3_SP-NON_SP3	N[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,3x6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:C[6]-4:H-1:H-1:	N[5,6]-4:	N[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](N[5,6]C[5,3x6]C[5]H)(C[6]C[6]HH)(H)2	H(N[5,6]C[5,3x6]C[5]C[6])	N[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,7|H<1>}	C[6](N[5,6]C[5,3x6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(N[5,6]C[5,3x6]C[5]C[6])	107.3100	0.000	1	107.3100	0.000	1	104.0330	21.477	2	108.0475	9.085	18	107.4855	5.983	88	107.3771	6.524	101
999	466	951	0:SP3_SP-NON_SP3	N[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,3x6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:C[6]-4:H-1:H-1:	N[5,6]-4:	N[5,6](C[5,3x6]C[5,5,6,6]C[3x6]H)(C[5]C[5,6]HH)(C[6]C[6]HH)(H)	C[6](N[5,6]C[5,3x6]C[5]H)(C[6]C[6]HH)(H)2	H(N[5,6]C[5,3x6]C[5]C[6])	N[5,6](C[5,3x6]C[5,5,6,6]C[3x6]H)(C[5]C[5,6]HH)(C[6]C[6]HH)(H){2|C<3>,3|H<1>,4|C<4>}	C[6](N[5,6]C[5,3x6]C[5]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(N[5,6]C[5,3x6]C[5]C[6])	100.7560	0.000	1	100.7560	0.000	1	104.0330	21.477	2	108.0475	9.085	18	107.4855	5.983	88	107.3771	6.524	101
999	466	951	0:SP3_SP-NON_SP3	N[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:C[6]-4:H-1:H-1:	N[5,6]-4:	N[5,6](C[5,6,6]C[3x6]N[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](N[5,6]C[5,6,6]C[5]H)(C[6]N[6,6]HH)(H)2	H(N[5,6]C[5,6,6]C[5]C[6])	N[5,6](C[5,6,6]C[3x6]N[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|N<3>,1|N<4>,3|C<4>,3|H<1>}	C[6](N[5,6]C[5,6,6]C[5]H)(C[6]N[6,6]HH)(H)2{1|N<3>,3|H<1>,4|C<4>}	H(N[5,6]C[5,6,6]C[5]C[6])	106.8920	0.000	1	106.8920	0.000	1	106.8920	0.000	1	108.0475	9.085	18	107.4855	5.983	88	107.3771	6.524	101
999	466	951	0:SP3_SP-NON_SP3	N[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:C[6]-4:H-1:H-1:	N[5,6]-4:	N[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](N[5,6]C[5,6]C[5]H)(C[6]O[6]HH)(H)2	H(N[5,6]C[5,6]C[5]C[6])	N[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,7|H<1>}	C[6](N[5,6]C[5,6]C[5]H)(C[6]O[6]HH)(H)2{2|H<1>,4|C<4>}	H(N[5,6]C[5,6]C[5]C[6])	106.5440	0.000	1	106.5440	0.000	1	108.6598	6.699	15	108.0475	9.085	18	107.4855	5.983	88	107.3771	6.524	101
999	466	951	0:SP3_SP-NON_SP3	N[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:C[6]-4:H-1:H-1:	N[5,6]-4:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(N[5,6]C[5,6]C[5]C[6])	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,7|H<1>}	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(N[5,6]C[5,6]C[5]C[6])	108.1945	0.012	2	107.5663	1.184	3	108.6598	6.699	15	108.0475	9.085	18	107.4855	5.983	88	107.3771	6.524	101
999	466	951	0:SP3_SP-NON_SP3	N[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:C[6]-4:H-1:H-1:	N[5,6]-4:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(N[5,6]C[5,6]C[5]C[6])	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<4>,8|H<1>}	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{3|H<1>,5|C<4>}	H(N[5,6]C[5,6]C[5]C[6])	106.3100	0.000	1	107.5663	1.184	3	108.6598	6.699	15	108.0475	9.085	18	107.4855	5.983	88	107.3771	6.524	101
999	466	951	0:SP3_SP-NON_SP3	N[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:C[6]-4:H-1:H-1:	N[5,6]-4:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2	H(N[5,6]C[5,6]C[5]C[6])	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){3|C<4>,6|H<1>}	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2{3|C<4>,5|H<1>}	H(N[5,6]C[5,6]C[5]C[6])	108.9360	0.000	1	108.9360	0.000	1	108.6598	6.699	15	108.0475	9.085	18	107.4855	5.983	88	107.3771	6.524	101
999	466	951	0:SP3_SP-NON_SP3	N[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:C[6]-4:H-1:H-1:	N[5,6]-4:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(N[5,6]C[5,6]C[5]C[6])	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,3|O<2>,5|H<1>}	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(N[5,6]C[5,6]C[5]C[6])	103.8830	0.000	2	103.8830	0.000	2	108.6598	6.699	15	108.0475	9.085	18	107.4855	5.983	88	107.3771	6.524	101
999	466	951	0:SP3_SP-NON_SP3	N[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:C[6]-4:H-1:H-1:	N[5,6]-4:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](N[5,6]C[5,6]C[5]H)(C[6]O[6]CH)(H)2	H(N[5,6]C[5,6]C[5]C[6])	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,7|H<1>}	C[6](N[5,6]C[5,6]C[5]H)(C[6]O[6]CH)(H)2{3|C<4>,3|H<1>}	H(N[5,6]C[5,6]C[5]C[6])	108.1210	0.000	1	108.1210	0.000	1	108.6598	6.699	15	108.0475	9.085	18	107.4855	5.983	88	107.3771	6.524	101
999	466	951	0:SP3_SP-NON_SP3	N[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:C[6]-4:H-1:H-1:	N[5,6]-4:	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2	H(N[5,6]C[5,6]C[5]C[6])	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(N[5,6]C[5,6]C[5]C[6])	109.1130	0.000	1	109.1130	0.000	1	108.6598	6.699	15	108.0475	9.085	18	107.4855	5.983	88	107.3771	6.524	101
999	466	951	0:SP3_SP-NON_SP3	N[5,6]	C[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:C[6]-4:H-1:H-1:	N[5,6]-4:	N[5,6](C[5,6]N[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(N[5,6]C[5,6]C[5]C[6])	N[5,6](C[5,6]N[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,4|H<1>}	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,6|H<1>}	H(N[5,6]C[5,6]C[5]C[6])	111.1197	0.409	6	111.1197	0.167	6	108.6598	6.699	15	108.0475	9.085	18	107.4855	5.983	88	107.3771	6.524	101
999	466	951	0:SP3_SP-NON_SP3	N[5,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:C[6]-4:C-4:H-1:	N[5,6]-4:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]CH)(H)	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(H)	H(N[5,6]C[5,6]C[5]C[6])	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]CH)(H){1|C<4>,2|O<2>,6|H<1>}	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(H){4|C<4>,4|H<1>}	H(N[5,6]C[5,6]C[5]C[6])	107.6820	0.000	1	107.6820	0.000	1	106.8427	3.679	3	106.8427	3.679	3	107.4855	5.983	88	107.3771	6.524	101
999	466	951	0:SP3_SP-NON_SP3	N[5,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:C[6]-4:C-4:H-1:	N[5,6]-4:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCCH)(H)	H(N[5,6]C[5,6]C[5]C[6])	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H){2|C<4>,7|H<1>}	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCCH)(H){3|C<4>,5|H<1>}	H(N[5,6]C[5,6]C[5]C[6])	108.1980	0.000	1	108.1980	0.000	1	106.8427	3.679	3	106.8427	3.679	3	107.4855	5.983	88	107.3771	6.524	101
999	466	951	0:SP3_SP-NON_SP3	N[5,6]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:C[6]-4:C-4:H-1:	N[5,6]-4:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHHO)(H)	H(N[5,6]C[5,6]C[5]C[6])	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<4>,8|H<1>}	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHHO)(H){3|C<4>,5|H<1>}	H(N[5,6]C[5,6]C[5]C[6])	104.6480	0.000	1	104.6480	0.000	1	106.8427	3.679	3	106.8427	3.679	3	107.4855	5.983	88	107.3771	6.524	101
999	466	951	0:SP3_SP-NON_SP3	N[5,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:C[6]-4:C-4:C-4:	N[5,6]-4:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2	H(N[5,6]C[5,6]C[5]C[6])	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|C<4>,2|O<2>,6|H<1>}	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2{1|O<2>,3|C<4>,4|H<1>}	H(N[5,6]C[5,6]C[5]C[6])	104.7750	0.000	1	105.5770	1.286	2	105.5770	1.286	2	105.5770	1.286	2	107.4855	5.983	88	107.3771	6.524	101
999	466	951	0:SP3_SP-NON_SP3	N[5,6]	C[6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:C[6]-4:C-4:C-4:	N[5,6]-4:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2	H(N[5,6]C[5,6]C[5]C[6])	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|C<4>,8|H<1>}	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2{1|O<2>,3|C<4>,4|H<1>}	H(N[5,6]C[5,6]C[5]C[6])	106.3790	0.000	1	105.5770	1.286	2	105.5770	1.286	2	105.5770	1.286	2	107.4855	5.983	88	107.3771	6.524	101
999	466	951	0:SP3_SP-NON_SP3	N[5,6]	C[6]	H	5:4:4:1:	4:3:1:1:	4:	In[5,6]-5:C[5,6]-4:C[6]-4:H-1:	N[5,6]-4:C[6,6a]-3:H-1:H-1:	N[5,6]-4:	N[5,6](In[5,6]N[5]O[6]Cl2)(C[5,6]C[5,6]C[6]H)(C[6]C[6,6a]HH)(H)	C[6](N[5,6]In[5,6]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(H)2	H(N[5,6]In[5,6]C[5,6]C[6])	N[5,6](In[5,6]N[5]O[6]Cl2)(C[5,6]C[5,6]C[6]H)(C[6]C[6,6a]HH)(H){2|C<3>,3|H<1>,4|C<4>}	C[6](N[5,6]In[5,6]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(H)2{2|Cl<1>,1|N<4>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(N[5,6]In[5,6]C[5,6]C[6])	108.6280	3.018	2	108.6280	9.108	2	108.6280	9.108	2	108.6280	9.108	2	107.4855	5.983	88	107.3771	6.524	101
999	466	951	0:SP3_SP-NON_SP3	N[5,6]	C[6]	H	6:4:4:1:	4:3:1:1:	4:	Ga[3x5,6,6]-6:C[6]-4:C[5]-4:H-1:	N[5,6]-4:C[6,6a]-3:H-1:H-1:	N[5,6]-4:	N[5,6](Ga[3x5,6,6]N[3x5]N[5,6]2O[6]2)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H)	C[6](N[5,6]Ga[3x5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(H)2	H(N[5,6]Ga[3x5,6,6]C[5]C[6])	N[5,6](Ga[3x5,6,6]N[3x5]N[5,6]2O[6]2)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H){3|H<1>,4|C<4>,5|C<3>}	C[6](N[5,6]Ga[3x5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|N<3>,2|C<3>,2|N<4>,2|O<2>,3|H<1>}	H(N[5,6]Ga[3x5,6,6]C[5]C[6])	106.0747	1.604	4	106.0747	2.572	4	106.0747	2.572	4	106.0747	2.572	4	107.4855	5.983	88	107.3771	6.524	101
999	466	951	0:SP3_SP-NON_SP3	N[5]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[5]-4:C[5]-4:H-1:	C[3x6]-4:C[6,6]-4:N[5]-4:H-1:	N[5]-4:	N[5](C[6,6]C[3x6]C[6,6]H)(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(N[5]C[5]2H)(H)	H(N[5]C[6,6]C[5]2)	N[5](C[6,6]C[3x6]C[6,6]H)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,6|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(N[5]C[5]2H)(H){1|C<3>,1|O<1>,4|C<4>,6|H<1>}	H(N[5]C[6,6]C[5]2)	108.7660	0.000	1	108.7660	0.000	1	108.7660	0.000	1	108.7660	0.000	1	108.7660	0.000	1	107.3771	6.524	101
999	466	951	0:SP3_SP-NON_SP3	N[5]	C[6]	H	4:4:4:1:	3:4:4:1:	4:	C[6]-4:C[5]-4:C[5]-4:H-1:	C[6,6a]-3:C[6]-4:N[5]-4:H-1:	N[5]-4:	N[5](C[6]C[6,6a]C[6]H)(C[5]C[5]HH)2(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(N[5]C[5]2H)(H)	H(N[5]C[5]2C[6])	N[5](C[6]C[6,6a]C[6]H)(C[5]C[5]HH)2(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(N[5]C[5]2H)(H){2|C<3>,3|C<4>,7|H<1>}	H(N[5]C[5]2C[6])	108.9780	0.000	1	108.9780	0.000	1	108.9780	0.000	1	108.9780	0.000	1	107.3240	3.526	3	107.3771	6.524	101
999	466	951	0:SP3_SP-NON_SP3	N[5]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:N[5]-4:H-1:	N[5]-4:	N[5](C[5]C[5]HH)2(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]C[6]H)(C[6]C[6]HH)(N[5]C[5]2H)(H)	H(N[5]C[5]2C[6])	N[5](C[5]C[5]HH)2(C[6]C[6]2H)(H){3|C<4>,7|H<1>}	C[6](C[6]C[6,6]C[6]H)(C[6]C[6]HH)(N[5]C[5]2H)(H){1|C<3>,1|O<2>,4|C<4>,8|H<1>}	H(N[5]C[5]2C[6])	107.7110	0.000	1	107.7110	0.000	1	106.4970	2.948	2	106.4970	2.948	2	107.3240	3.526	3	107.3771	6.524	101
999	466	951	0:SP3_SP-NON_SP3	N[5]	C[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:N[5]-4:H-1:	N[5]-4:	N[5](C[5]C[5]HH)2(C[6]C[6]2H)(H)	C[6](C[6]C[6]BH)(C[6]C[6]HH)(N[5]C[5]2H)(H)	H(N[5]C[5]2C[6])	N[5](C[5]C[5]HH)2(C[6]C[6]2H)(H){1|B<4>,2|C<4>,7|H<1>}	C[6](C[6]C[6]BH)(C[6]C[6]HH)(N[5]C[5]2H)(H){3|C<4>,8|H<1>}	H(N[5]C[5]2C[6])	105.2830	0.000	1	105.2830	0.000	1	106.4970	2.948	2	106.4970	2.948	2	107.3240	3.526	3	107.3771	6.524	101
999	466	960	0:SP3_SP2_SP3	N[5,6]	C[6]	N[5]	4:4:4:2:	4:4:1:1:	4:3:	C[5]-4:C[6]-4:C[6]-4:N[5]-2:	N[5,6]-4:C[6]-4:H-1:H-1:	N[5,6]-4:C[5]-3:	N[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(N[5]C[5])	C[6](N[5,6]C[5]C[6]N[5])(C[6]O[6]HH)(H)2	N[5](N[5,6]C[5]C[6]2)(C[5]C[5]O)	N[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(N[5]C[5]){1|O<1>,2|O<2>,5|H<1>}	C[6](N[5,6]C[5]C[6]N[5])(C[6]O[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	N[5](N[5,6]C[5]C[6]2)(C[5]C[5]O){1|O<2>,2|C<4>,7|H<1>}	108.2170	0.805	2	108.2170	0.648	2	108.2170	0.648	2	108.2170	0.648	2	108.2170	0.648	2	108.2170	0.648	2
999	466	976	0:SP3_SP3_SP3	N[5,6]	C[6]	O[5]	4:4:2:1:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	N[5,6]-4:C[6]-4:H-1:H-1:	N[5,6]-4:C[5]-4:	N[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(O[5]C[5])(H)	C[6](N[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	O[5](N[5,6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)	N[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,7|H<1>}	C[6](N[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{2|H<1>,4|C<4>}	O[5](N[5,6]C[5,6]C[6]H)(C[5]C[6a]C[5]H){2|C<3>,3|C<4>,4|H<1>}	108.3985	0.062	2	108.3985	0.004	2	108.3985	0.004	2	108.3985	0.004	2	106.9865	2.883	4	106.9865	2.883	4
999	466	976	0:SP3_SP3_SP3	N[5,6]	C[6]	O[5]	5:4:2:4:	4:4:1:1:	4:4:	In[5,5,6,6]-5:C[6]-4:O[5]-2:C-4:	N[5,6]-4:C[6]-4:H-1:H-1:	N[5,6]-4:Ga[5]-4:	N[5,6](In[5,5,6,6]N[5,6]O[5,6]2C)(C[6]C[6]HH)(O[5]Ga[5])(CH3)	C[6](N[5,6]In[5,5,6,6]O[5]C)(C[6]N[6]HH)(H)2	O[5](N[5,6]In[5,5,6,6]C[6]C)(Ga[5]O[5,6]CC)	N[5,6](In[5,5,6,6]N[5,6]O[5,6]2C)(C[6]C[6]HH)(O[5]Ga[5])(CH3){1|Ga<4>,1|O<2>,2|H<1>,2|N<3>,4|C<4>}	C[6](N[5,6]In[5,5,6,6]O[5]C)(C[6]N[6]HH)(H)2{1|Ga<4>,1|N<4>,2|C<4>,2|O<3>}	O[5](N[5,6]In[5,5,6,6]C[6]C)(Ga[5]O[5,6]CC){1|N<3>,1|N<4>,1|O<3>,2|C<4>,2|H<1>}	105.5745	0.818	2	105.5745	0.669	2	105.5745	0.669	2	105.5745	0.669	2	106.9865	2.883	4	106.9865	2.883	4
999	466	976	6:SP3_SP3_SP3	N[5,6]	C[6]	O[5,6]	4:2:4:4:	4:4:1:1:	4:4:	C[5,6]-4:O[5,6]-2:C[6]-4:C-4:	N[5,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:N[5,6]-4:	N[5,6](C[5,6]C[5,6,6]C[6]H)(O[5,6]C[5,6,6])(C[6]C[6,6]HH)(CH3)	C[6](N[5,6]C[5,6]O[5,6]C)(C[6,6]C[6,6]C[6]H)(H)2	O[5,6](C[5,6,6]C[5,6,6]C[6,6]C)(N[5,6]C[5,6]C[6]C)	N[5,6](C[5,6]C[5,6,6]C[6]H)(O[5,6]C[5,6,6])(C[6]C[6,6]HH)(CH3){2|C<3>,3|C<4>,4|H<1>}	C[6](N[5,6]C[5,6]O[5,6]C)(C[6,6]C[6,6]C[6]H)(H)2{4|C<4>,5|H<1>}	O[5,6](C[5,6,6]C[5,6,6]C[6,6]C)(N[5,6]C[5,6]C[6]C){3|C<4>,6|H<1>}	107.5820	0.000	1	107.5820	0.000	1	107.5820	0.000	1	107.5820	0.000	1	107.5820	0.000	1	107.5820	0.000	1
999	474	474	0:SP3_SP3_SP3	N[3x5]	C[5,6]	C[5]	6:4:4:4:	4:4:4:1:	4:3:1:1:	Ga[5x5]-6:C[5,6]-4:C[5]-4:C[5]-4:	N[3x5]-4:C[5,6]-4:C[6]-4:H-1:	N[3x5]-4:C[5,6]-3:H-1:H-1:	N[3x5](Ga[5x5]N[3x5]N[5,6]2O[5]2)(C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(C[5]C[5]HH)	C[5,6](N[3x5]Ga[5x5]C[5]2)(C[5,6]N[3x5]C[6]H)(C[6]C[6]HH)(H)	C[5](N[3x5]Ga[5x5]C[5,6]C[5])(C[5,6]N[5,6]C[6])(H)2	N[3x5](Ga[5x5]N[3x5]N[5,6]2O[5]2)(C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(C[5]C[5]HH){1|O<1>,3|H<1>,4|C<4>,5|C<3>}	C[5,6](N[3x5]Ga[5x5]C[5]2)(C[5,6]N[3x5]C[6]H)(C[6]C[6]HH)(H){2|C<3>,2|N<3>,2|O<2>,3|C<4>,8|H<1>}	C[5](N[3x5]Ga[5x5]C[5,6]C[5])(C[5,6]N[5,6]C[6])(H)2{1|N<3>,1|N<4>,2|C<4>,2|O<2>,3|C<3>,4|H<1>}	112.9390	0.000	1	112.9390	0.000	1	112.9390	0.000	1	114.1000	2.696	2	114.1000	2.696	2	113.0812	4.910	303
999	474	474	0:SP3_SP3_SP3	N[3x5]	C[5,6]	C[5]	6:4:4:4:	4:4:4:1:	4:3:1:1:	Ga[5x5]-6:C[5,6]-4:C[5]-4:C[5]-4:	N[3x5]-4:C[5,6]-4:C[6]-4:H-1:	N[3x5]-4:C[5]-3:H-1:H-1:	N[3x5](Ga[5x5]N[3x5]N[5,6]2O[5]2)(C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(C[5]C[5]HH)	C[5,6](N[3x5]Ga[5x5]C[5]2)(C[5,6]N[3x5]C[6]H)(C[6]C[6]HH)(H)	C[5](N[3x5]Ga[5x5]C[5,6]C[5])(C[5]O[5]O)(H)2	N[3x5](Ga[5x5]N[3x5]N[5,6]2O[5]2)(C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(C[5]C[5]HH){1|O<1>,3|H<1>,4|C<4>,5|C<3>}	C[5,6](N[3x5]Ga[5x5]C[5]2)(C[5,6]N[3x5]C[6]H)(C[6]C[6]HH)(H){2|C<3>,2|N<3>,2|O<2>,3|C<4>,8|H<1>}	C[5](N[3x5]Ga[5x5]C[5,6]C[5])(C[5]O[5]O)(H)2{1|C<3>,1|N<4>,1|O<2>,2|C<4>,2|N<3>,3|H<1>}	115.2610	0.000	1	115.2610	0.000	1	115.2610	0.000	1	114.1000	2.696	2	114.1000	2.696	2	113.0812	4.910	303
999	474	474	0:SP3_SP3_SP3	N[3x5]	C[5]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	B[3x5]-4:C[5]-4:C[5]-4:C[5]-4:	N[3x5]-4:C[5]-4:H-1:H-1:	N[3x5]-4:C[5]-4:H-1:H-1:	N[3x5](B[3x5]O[5]3)(C[5]C[5]HH)3	C[5](N[3x5]B[3x5]C[5]2)(C[5]O[5]HH)(H)2	C[5](N[3x5]B[3x5]C[5]2)(C[5]O[5]HH)(H)2	N[3x5](B[3x5]O[5]3)(C[5]C[5]HH)3{6|H<1>}	C[5](N[3x5]B[3x5]C[5]2)(C[5]O[5]HH)(H)2{2|C<4>,2|O<2>,4|H<1>}	C[5](N[3x5]B[3x5]C[5]2)(C[5]O[5]HH)(H)2{2|C<4>,2|O<2>,4|H<1>}	114.8213	0.344	3	114.8213	0.119	3	114.8213	0.119	3	114.8213	0.119	3	112.5388	1.661	28	113.0812	4.910	303
999	474	474	0:SP3_SP3_SP3	N[3x5]	C[5]	C[5]	5:4:4:4:	4:4:1:1:	4:4:1:1:	Ge[3x5]-5:C[5]-4:C[5]-4:C[5]-4:	N[3x5]-4:C[5]-4:H-1:H-1:	N[3x5]-4:C[5]-4:H-1:H-1:	N[3x5](Ge[3x5]O[5]3Br)(C[5]C[5]CC)(C[5]C[5]HH)2	C[5](N[3x5]Ge[3x5]C[5]2)(C[5]O[5]CC)(H)2	C[5](N[3x5]Ge[3x5]C[5]2)(C[5]O[5]HH)(H)2	N[3x5](Ge[3x5]O[5]3Br)(C[5]C[5]CC)(C[5]C[5]HH)2{2|C<4>,4|H<1>}	C[5](N[3x5]Ge[3x5]C[5]2)(C[5]O[5]CC)(H)2{1|Br<1>,2|H<1>,2|O<2>,4|C<4>}	C[5](N[3x5]Ge[3x5]C[5]2)(C[5]O[5]HH)(H)2{1|Br<1>,2|H<1>,2|O<2>,4|C<4>}	112.3830	0.000	1	112.3830	0.000	1	112.3830	0.000	1	112.2198	0.201	13	112.5388	1.661	28	113.0812	4.910	303
999	474	474	0:SP3_SP3_SP3	N[3x5]	C[5]	C[5]	5:4:4:4:	4:4:1:1:	4:4:1:1:	P[3x5]-5:C[5]-4:C[5]-4:C[5]-4:	N[3x5]-4:C[5]-4:H-1:H-1:	N[3x5]-4:C[5]-4:H-1:H-1:	N[3x5](P[3x5]N[5]3H)(C[5]C[5]HH)3	C[5](N[3x5]P[3x5]C[5]2)(C[5]N[5]HH)(H)2	C[5](N[3x5]P[3x5]C[5]2)(C[5]N[5]HH)(H)2	N[3x5](P[3x5]N[5]3H)(C[5]C[5]HH)3{3|C<4>,6|H<1>}	C[5](N[3x5]P[3x5]C[5]2)(C[5]N[5]HH)(H)2{2|N<3>,3|C<4>,5|H<1>}	C[5](N[3x5]P[3x5]C[5]2)(C[5]N[5]HH)(H)2{2|N<3>,3|C<4>,5|H<1>}	112.2048	0.512	6	112.2048	0.262	6	112.2062	0.216	12	112.2198	0.201	13	112.5388	1.661	28	113.0812	4.910	303
999	474	474	0:SP3_SP3_SP3	N[3x5]	C[5]	C[5]	5:4:4:4:	4:4:1:1:	4:4:1:1:	P[3x5]-5:C[5]-4:C[5]-4:C[5]-4:	N[3x5]-4:C[5]-4:H-1:H-1:	N[3x5]-4:C[5]-4:H-1:H-1:	N[3x5](P[3x5]N[5]3N)(C[5]C[5]HH)3	C[5](N[3x5]P[3x5]C[5]2)(C[5]N[5]HH)(H)2	C[5](N[3x5]P[3x5]C[5]2)(C[5]N[5]HH)(H)2	N[3x5](P[3x5]N[5]3N)(C[5]C[5]HH)3{3|C<4>,6|H<1>}	C[5](N[3x5]P[3x5]C[5]2)(C[5]N[5]HH)(H)2{1|N<2>,2|N<3>,3|C<4>,4|H<1>}	C[5](N[3x5]P[3x5]C[5]2)(C[5]N[5]HH)(H)2{1|N<2>,2|N<3>,3|C<4>,4|H<1>}	112.2075	0.462	6	112.2075	0.214	6	112.2062	0.216	12	112.2198	0.201	13	112.5388	1.661	28	113.0812	4.910	303
999	474	474	0:SP3_SP3_SP3	N[3x5]	C[5]	C[5]	5:4:4:4:	4:4:4:4:	4:4:1:1:	Ge[3x5]-5:C[5]-4:C[5]-4:C[5]-4:	N[3x5]-4:C[5]-4:C-4:C-4:	N[3x5]-4:C[5]-4:H-1:H-1:	N[3x5](Ge[3x5]O[5]3Br)(C[5]C[5]CC)(C[5]C[5]HH)2	C[5](N[3x5]Ge[3x5]C[5]2)(C[5]O[5]HH)(CH3)2	C[5](N[3x5]Ge[3x5]C[5]2)(C[5]O[5]CC)(H)2	N[3x5](Ge[3x5]O[5]3Br)(C[5]C[5]CC)(C[5]C[5]HH)2{2|C<4>,4|H<1>}	C[5](N[3x5]Ge[3x5]C[5]2)(C[5]O[5]HH)(CH3)2{1|Br<1>,2|C<4>,2|O<2>,4|H<1>}	C[5](N[3x5]Ge[3x5]C[5]2)(C[5]O[5]CC)(H)2{1|Br<1>,2|H<1>,2|O<2>,4|C<4>}	116.8230	0.000	1	116.8230	0.000	1	114.7695	8.434	2	114.7695	8.434	2	112.5388	1.661	28	113.0812	4.910	303
999	474	474	0:SP3_SP3_SP3	N[3x5]	C[5]	C[5]	5:4:4:4:	4:4:4:4:	4:4:1:1:	Ge[3x5]-5:C[5]-4:C[5]-4:C[5]-4:	N[3x5]-4:C[5]-4:C-4:C-4:	N[3x5]-4:C[5]-4:H-1:H-1:	N[3x5](Ge[3x5]O[5]3Br)(C[5]C[5]CC)(C[5]C[5]HH)2	C[5](N[3x5]Ge[3x5]C[5]2)(C[5]O[5]HH)(CH3)2	C[5](N[3x5]Ge[3x5]C[5]2)(C[5]O[5]HH)(H)2	N[3x5](Ge[3x5]O[5]3Br)(C[5]C[5]CC)(C[5]C[5]HH)2{2|C<4>,4|H<1>}	C[5](N[3x5]Ge[3x5]C[5]2)(C[5]O[5]HH)(CH3)2{1|Br<1>,2|C<4>,2|O<2>,4|H<1>}	C[5](N[3x5]Ge[3x5]C[5]2)(C[5]O[5]HH)(H)2{1|Br<1>,2|H<1>,2|O<2>,4|C<4>}	112.7160	0.000	1	112.7160	0.000	1	114.7695	8.434	2	114.7695	8.434	2	112.5388	1.661	28	113.0812	4.910	303
999	474	474	0:SP3_SP3_SP3	N[3x5]	C[5]	C[5]	6:4:4:4:	4:3:1:1:	4:3:1:1:	Ga[5x5]-6:C[5,6]-4:C[5]-4:C[5]-4:	N[3x5]-4:C[5,6]-3:H-1:H-1:	N[3x5]-4:C[5]-3:H-1:H-1:	N[3x5](Ga[5x5]N[3x5]N[5,6]2O[5]2)(C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(C[5]C[5]HH)	C[5](N[3x5]Ga[5x5]C[5,6]C[5])(C[5,6]N[5,6]C[6])(H)2	C[5](N[3x5]Ga[5x5]C[5,6]C[5])(C[5]O[5]O)(H)2	N[3x5](Ga[5x5]N[3x5]N[5,6]2O[5]2)(C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(C[5]C[5]HH){1|O<1>,3|H<1>,4|C<4>,5|C<3>}	C[5](N[3x5]Ga[5x5]C[5,6]C[5])(C[5,6]N[5,6]C[6])(H)2{1|N<3>,1|N<4>,2|C<4>,2|O<2>,3|C<3>,4|H<1>}	C[5](N[3x5]Ga[5x5]C[5,6]C[5])(C[5]O[5]O)(H)2{1|C<3>,1|N<4>,1|O<2>,2|C<4>,2|N<3>,3|H<1>}	111.3770	0.000	1	111.3770	0.000	1	111.3770	0.000	1	111.3770	0.000	1	112.5388	1.661	28	113.0812	4.910	303
999	474	474	0:SP3_SP3_SP3	N[3x5]	C[5]	C[5]	6:4:4:4:	4:4:1:1:	4:3:1:1:	Ga[3x5,6,6]-6:C[5]-4:C[5]-4:C[5]-4:	N[3x5]-4:C[5]-4:H-1:H-1:	N[3x5]-4:C[5,6]-3:H-1:H-1:	N[3x5](Ga[3x5,6,6]N[5,6]3O[6]2)(C[5]C[5,6]HH)(C[5]C[5]HH)2	C[5](N[3x5]Ga[3x5,6,6]C[5]2)(C[5]N[5,6]HH)(H)2	C[5](N[3x5]Ga[3x5,6,6]C[5]2)(C[5,6]N[5,6]C[6])(H)2	N[3x5](Ga[3x5,6,6]N[5,6]3O[6]2)(C[5]C[5,6]HH)(C[5]C[5]HH)2{2|C<4>,4|C<3>,6|H<1>}	C[5](N[3x5]Ga[3x5,6,6]C[5]2)(C[5]N[5,6]HH)(H)2{1|C<3>,1|N<3>,1|N<4>,2|C<4>,2|O<2>,5|H<1>}	C[5](N[3x5]Ga[3x5,6,6]C[5]2)(C[5,6]N[5,6]C[6])(H)2{2|C<3>,2|C<4>,2|N<4>,2|O<2>,5|H<1>}	111.7312	0.354	4	111.7312	0.125	4	111.7312	0.125	4	111.7742	0.088	6	112.5388	1.661	28	113.0812	4.910	303
999	474	474	0:SP3_SP3_SP3	N[3x5]	C[5]	C[5]	6:4:4:4:	4:4:1:1:	4:3:1:1:	In[3x5]-6:C[5]-4:C[5]-4:C[5]-4:	N[3x5]-4:C[5]-4:H-1:H-1:	N[3x5]-4:C[5,6]-3:H-1:H-1:	N[3x5](In[3x5]N[5,6]N[5]2N[6]Cl)(C[5]C[5,6]HH)(C[5]C[5]HH)2	C[5](N[3x5]In[3x5]C[5]2)(C[5]N[5]HH)(H)2	C[5](N[3x5]In[3x5]C[5]2)(C[5,6]N[5,6]C[6])(H)2	N[3x5](In[3x5]N[5,6]N[5]2N[6]Cl)(C[5]C[5,6]HH)(C[5]C[5]HH)2{2|S<4>,4|C<3>,4|H<1>}	C[5](N[3x5]In[3x5]C[5]2)(C[5]N[5]HH)(H)2{1|Cl<1>,1|C<3>,1|C<4>,1|S<4>,3|N<3>,4|H<1>}	C[5](N[3x5]In[3x5]C[5]2)(C[5,6]N[5,6]C[6])(H)2{1|Cl<1>,2|C<3>,2|C<4>,3|N<3>,5|H<1>}	111.8600	0.202	2	111.8600	0.041	2	111.8600	0.041	2	111.7742	0.088	6	112.5388	1.661	28	113.0812	4.910	303
999	474	474	0:SP3_SP3_SP3	N[3x5]	C[5]	C[5]	6:4:4:4:	4:4:1:1:	4:4:1:1:	Ga[3x5,6,6]-6:C[5]-4:C[5]-4:C[5]-4:	N[3x5]-4:C[5]-4:H-1:H-1:	N[3x5]-4:C[5]-4:H-1:H-1:	N[3x5](Ga[3x5,6,6]N[5,6]3O[6]2)(C[5]C[5,6]HH)(C[5]C[5]HH)2	C[5](N[3x5]Ga[3x5,6,6]C[5]2)(C[5]N[5,6]HH)(H)2	C[5](N[3x5]Ga[3x5,6,6]C[5]2)(C[5]N[5,6]HH)(H)2	N[3x5](Ga[3x5,6,6]N[5,6]3O[6]2)(C[5]C[5,6]HH)(C[5]C[5]HH)2{2|C<4>,4|C<3>,6|H<1>}	C[5](N[3x5]Ga[3x5,6,6]C[5]2)(C[5]N[5,6]HH)(H)2{1|C<3>,1|N<3>,1|N<4>,2|C<4>,2|O<2>,5|H<1>}	C[5](N[3x5]Ga[3x5,6,6]C[5]2)(C[5]N[5,6]HH)(H)2{1|C<3>,1|N<3>,1|N<4>,2|C<4>,2|O<2>,5|H<1>}	112.4205	0.385	2	112.4205	0.149	2	112.4205	0.149	2	112.0677	0.448	3	112.5388	1.661	28	113.0812	4.910	303
999	474	474	0:SP3_SP3_SP3	N[3x5]	C[5]	C[5]	6:4:4:4:	4:4:1:1:	4:4:1:1:	In[3x5]-6:C[5]-4:C[5]-4:C[5]-4:	N[3x5]-4:C[5]-4:H-1:H-1:	N[3x5]-4:C[5]-4:H-1:H-1:	N[3x5](In[3x5]N[5,6]N[5]2N[6]Cl)(C[5]C[5,6]HH)(C[5]C[5]HH)2	C[5](N[3x5]In[3x5]C[5]2)(C[5]N[5]HH)(H)2	C[5](N[3x5]In[3x5]C[5]2)(C[5]N[5]HH)(H)2	N[3x5](In[3x5]N[5,6]N[5]2N[6]Cl)(C[5]C[5,6]HH)(C[5]C[5]HH)2{2|S<4>,4|C<3>,4|H<1>}	C[5](N[3x5]In[3x5]C[5]2)(C[5]N[5]HH)(H)2{1|Cl<1>,1|C<3>,1|C<4>,1|S<4>,3|N<3>,4|H<1>}	C[5](N[3x5]In[3x5]C[5]2)(C[5]N[5]HH)(H)2{1|Cl<1>,1|C<3>,1|C<4>,1|S<4>,3|N<3>,4|H<1>}	111.3620	0.000	1	111.3620	0.000	1	111.3620	0.000	1	112.0677	0.448	3	112.5388	1.661	28	113.0812	4.910	303
999	474	474	0:SP3_SP3_SP3	N[5,5,6]	C[5,6]	C[5,5,6]	4:4:3:1:	4:3:4:1:	4:4:4:1:	C[5,5,6]-4:C[5,6]-4:N[5,5,6]-3:H-1:	N[5,5,6]-4:C[6,6a]-3:C[5,6]-4:H-1:	N[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	N[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[6,6a]C[5,6]H)(N[5,5,6]C[5,5,6]C[5])(H)	C[5,6](N[5,5,6]C[5,5,6]N[5,5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(H)	C[5,5,6](N[5,5,6]N[5,5,6]C[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	N[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[6,6a]C[5,6]H)(N[5,5,6]C[5,5,6]C[5])(H){2|C<3>,4|C<4>,6|H<1>}	C[5,6](N[5,5,6]C[5,5,6]N[5,5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(H){1|O<2>,2|C<3>,4|H<1>,5|C<4>}	C[5,5,6](N[5,5,6]N[5,5,6]C[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,2|C<4>,4|H<1>}	120.2840	0.000	1	120.2840	0.000	1	120.2840	0.000	1	120.2840	0.000	1	120.2840	0.000	1	113.0812	4.910	303
999	474	474	0:SP3_SP3_SP3	N[5,5,6]	C[5,6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[3x5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:N[5,5,6]-4:H-1:H-1:	N[5,5,6]-4:C[5]-4:H-1:H-1:	N[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]C[5]HH)(H)	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(N[5,5,6]C[3x5,6]C[5]H)(H)2	C[5](N[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5,5,6]HH)(H)2	N[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]C[5]HH)(H){1|N<3>,1|O<2>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(N[5,5,6]C[3x5,6]C[5]H)(H)2{1|N<3>,2|C<4>,4|H<1>}	C[5](N[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5,5,6]HH)(H)2{1|O<2>,2|C<4>,4|H<1>}	114.4010	0.000	1	114.4010	0.000	1	114.4010	0.000	1	114.4010	0.000	1	113.8019	5.307	50	113.0812	4.910	303
999	474	474	0:SP3_SP3_SP3	N[5,5,6]	C[5,6]	C[5]	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[3x5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:N[5,5,6]-4:H-1:H-1:	N[5,5,6]-4:C[5]-4:C-3:H-1:	N[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]C[5]CH)(H)	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(N[5,5,6]C[3x5,6]C[5]H)(H)2	C[5](N[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5,5,6]HH)(COO)(H)	N[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]C[5]CH)(H){1|O<2>,6|H<1>}	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(N[5,5,6]C[3x5,6]C[5]H)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5](N[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5,5,6]HH)(COO)(H){1|O<2>,2|C<4>,4|H<1>}	113.8090	0.000	1	113.8090	0.000	1	113.8090	0.000	1	113.8090	0.000	1	113.8019	5.307	50	113.0812	4.910	303
999	474	474	0:SP3_SP3_SP3	N[5,5,6]	C[5,6]	C[5]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[5,6]-4:C[5]-4:C[5]-4:	N[5,5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,5,6]-4:C[5]-4:H-1:H-1:	N[5,5,6](C[5,6]C[5]C[6]H)2(C[5]C[5]HH)2	C[5,6](N[5,5,6]C[5,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](N[5,5,6]C[5,6]2C[5])(C[5]C[5]HH)(H)2	N[5,5,6](C[5,6]C[5]C[6]H)2(C[5]C[5]HH)2{12|H<1>,1|C<4>}	C[5,6](N[5,5,6]C[5,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,8|H<1>}	C[5](N[5,5,6]C[5,6]2C[5])(C[5]C[5]HH)(H)2{4|C<4>,6|H<1>}	113.7893	2.351	48	113.7893	5.525	48	113.7893	5.525	48	113.7893	5.525	48	113.8019	5.307	50	113.0812	4.910	303
999	474	474	0:SP3_SP3_SP3	N[5,5,6]	C[5]	C[5]	6:4:4:4:	4:4:1:1:	4:4:1:1:	Ga[4x5,6,6]-6:C[6]-4:C[5]-4:C[5]-4:	N[5,5,6]-4:C[5]-4:H-1:H-1:	N[5,5,6]-4:C[5]-4:H-1:H-1:	N[5,5,6](Ga[4x5,6,6]N[5,5,6]N[5,5]2O[6]2)(C[6]C[6,6a]HH)(C[5]C[5]HH)2	C[5](N[5,5,6]Ga[4x5,6,6]C[5]C[6])(C[5]N[5,5]HH)(H)2	C[5](N[5,5,6]Ga[4x5,6,6]C[5]C[6])(C[5]N[5,5]HH)(H)2	N[5,5,6](Ga[4x5,6,6]N[5,5,6]N[5,5]2O[6]2)(C[6]C[6,6a]HH)(C[5]C[5]HH)2{3|C<3>,5|C<4>,6|H<1>}	C[5](N[5,5,6]Ga[4x5,6,6]C[5]C[6])(C[5]N[5,5]HH)(H)2{1|C<3>,2|C<4>,2|N<4>,2|O<2>,5|H<1>}	C[5](N[5,5,6]Ga[4x5,6,6]C[5]C[6])(C[5]N[5,5]HH)(H)2{1|C<3>,2|C<4>,2|N<4>,2|O<2>,5|H<1>}	110.5800	0.007	2	110.5800	0.000	2	110.5800	0.000	2	110.5800	0.000	2	110.5800	0.000	2	113.0812	4.910	303
999	474	474	0:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:1:	3:4:4:3:	4:4:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,6a]-3:N[5,5]-4:C[5]-4:C[5]-3:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(C[5]N[5]O)	C[5](N[5,5]C[5,5]2H)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)(H){1|N<3>,1|O<1>,4|C<3>,6|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(C[5]N[5]O){2|C<4>,3|C<3>,6|H<1>}	C[5](N[5,5]C[5,5]2H)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	119.5055	0.235	2	119.5055	0.055	2	119.5055	0.055	2	119.5055	0.055	2	119.5055	0.055	2	113.0812	4.910	303
999	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	3:4:4:4:	4:4:1:1:	4:4:1:1:	Ge[3x5]-3:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5](Ge[3x5]N[5,5]2)(C[5]C[5]HH)2(CH3)	C[5](N[5,5]Ge[3x5]C[5]C)(C[5]N[5,5]HH)(H)2	C[5](N[5,5]Ge[3x5]C[5]C)(C[5]N[5,5]HH)(H)2	N[5,5](Ge[3x5]N[5,5]2)(C[5]C[5]HH)2(CH3){4|C<4>,4|H<1>}	C[5](N[5,5]Ge[3x5]C[5]C)(C[5]N[5,5]HH)(H)2{1|N<4>,2|H<1>,3|C<4>}	C[5](N[5,5]Ge[3x5]C[5]C)(C[5]N[5,5]HH)(H)2{1|N<4>,2|H<1>,3|C<4>}	112.2070	0.981	3	112.2070	0.961	3	112.2070	0.961	3	112.2070	0.961	3	112.7846	4.189	210	113.0812	4.910	303
999	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	4:3:4:1:	4:4:3:1:	4:4:1:1:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:N[5,5]-4:C[6a]-3:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[5](N[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	N[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H){1|O<1>,3|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,5|H<1>,6|C<3>}	C[5](N[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	115.8670	0.000	1	115.8670	0.000	1	115.8670	0.000	1	115.8670	0.000	1	112.7846	4.189	210	113.0812	4.910	303
999	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	B[5,5]-4:C[5]-4:C[5]-4:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5](B[5,5]B[5]O[5]2)(C[5]C[5]HH)2(H)	C[5](N[5,5]B[5,5]C[5]H)(C[5]O[5]CH)(H)2	C[5](N[5,5]B[5,5]C[5]H)(C[5]O[5]CH)(H)2	N[5,5](B[5,5]B[5]O[5]2)(C[5]C[5]HH)2(H){2|C<4>,2|H<1>,2|O<2>}	C[5](N[5,5]B[5,5]C[5]H)(C[5]O[5]CH)(H)2{1|B<3>,1|C<4>,1|O<2>,2|H<1>}	C[5](N[5,5]B[5,5]C[5]H)(C[5]O[5]CH)(H)2{1|B<3>,1|C<4>,1|O<2>,2|H<1>}	113.9580	0.000	1	113.9580	0.000	1	114.7881	0.273	7	114.4559	1.373	14	112.7846	4.189	210	113.0812	4.910	303
999	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	B[5,5]-4:C[5]-4:C[5]-4:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(H)	C[5](N[5,5]B[5,5]C[5]H)(C[5]O[5]HH)(H)2	C[5](N[5,5]B[5,5]C[5]H)(C[5]O[5]HH)(H)2	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(H){2|C<3>,4|H<1>}	C[5](N[5,5]B[5,5]C[5]H)(C[5]O[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5](N[5,5]B[5,5]C[5]H)(C[5]O[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	114.7480	0.427	2	114.7480	0.182	2	114.7881	0.273	7	114.4559	1.373	14	112.7846	4.189	210	113.0812	4.910	303
999	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	B[5,5]-4:C[5]-4:C[5]-4:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(H)	C[5](N[5,5]B[5,5]C[5]H)(C[5]O[5]HH)(H)2	C[5](N[5,5]B[5,5]C[5]H)(C[5]O[5]HH)(H)2	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(H){4|H<1>}	C[5](N[5,5]B[5,5]C[5]H)(C[5]O[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5](N[5,5]B[5,5]C[5]H)(C[5]O[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	114.8780	0.412	2	115.0157	0.186	4	114.7881	0.273	7	114.4559	1.373	14	112.7846	4.189	210	113.0812	4.910	303
999	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	B[5,5]-4:C[5]-4:C[5]-4:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(H)	C[5](N[5,5]B[5,5]C[5]H)(C[5]O[5]HH)(H)2	C[5](N[5,5]B[5,5]C[5]H)(C[5]O[5]HH)(H)2	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(H){4|H<1>}	C[5](N[5,5]B[5,5]C[5]H)(C[5]O[5]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[5](N[5,5]B[5,5]C[5]H)(C[5]O[5]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	115.1535	0.559	2	115.0157	0.186	4	114.7881	0.273	7	114.4559	1.373	14	112.7846	4.189	210	113.0812	4.910	303
999	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:N[5,5]-4:H-1:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5,5]C[5]H)(H)2	C[5](N[5,5]C[5,5]C[5]H)(C[5]C[5]HN)(H)2	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]C[5]HH)(H){1|N<3>,2|O<2>,5|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5,5]C[5]H)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[5](N[5,5]C[5,5]C[5]H)(C[5]C[5]HN)(H)2{2|C<4>,5|H<1>}	113.8130	0.000	1	113.8130	0.000	1	113.8130	0.000	1	114.4559	1.373	14	112.7846	4.189	210	113.0812	4.910	303
999	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)2(H)	C[5](N[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5](N[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)2(H){8|H<1>}	C[5](N[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{3|C<4>,4|H<1>}	C[5](N[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{3|C<4>,4|H<1>}	113.4982	0.444	5	113.4982	0.197	5	114.1755	2.910	6	114.4559	1.373	14	112.7846	4.189	210	113.0812	4.910	303
999	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)2(H)	C[5](N[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5](N[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(H)2	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)2(H){1|Br<1>,1|N<2>,1|O<2>,5|H<1>}	C[5](N[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|Br<1>,2|C<4>,4|H<1>}	C[5](N[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(H)2{1|N<2>,2|C<4>,4|H<1>}	117.5620	0.000	1	117.5620	0.000	1	114.1755	2.910	6	114.4559	1.373	14	112.7846	4.189	210	113.0812	4.910	303
999	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:N[5,5]-4:C-4:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]CH)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5,5]C[5]H)(CCHO)(H)	C[5](N[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]CH)(C[5]C[5]HH)(H){1|I<1>,2|O<2>,5|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5,5]C[5]H)(CCHO)(H){1|O<2>,3|C<4>,4|H<1>}	C[5](N[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|I<1>,3|C<4>,3|H<1>}	119.8930	0.000	1	119.8930	0.000	1	119.8930	0.000	1	119.8930	0.000	1	112.7846	4.189	210	113.0812	4.910	303
999	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	4:4:4:3:	4:3:4:1:	4:4:1:1:	C[5]-4:C[5,5]-4:C[5]-4:C-3:	N[5,5]-4:C[6a]-3:C[5]-4:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(CHH)	C[5](N[5,5]C[5,5]C[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](N[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2	N[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(CHH){3|C<3>,7|H<1>}	C[5](N[5,5]C[5,5]C[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|C<4>,3|C<3>,6|H<1>}	C[5](N[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	113.3080	0.000	1	113.3080	0.000	1	113.3080	0.000	1	113.3080	0.000	1	112.7846	4.189	210	113.0812	4.910	303
999	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	4:4:4:4:	3:4:1:1:	4:4:1:1:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	C[5,6a]-3:N[5,5]-4:H-1:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5](B[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5]HH)(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]B[5,5]C[5]C)(H)2	C[5](N[5,5]B[5,5]C[5]C)(C[5]C[5]CC)(H)2	N[5,5](B[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5]HH)(CCHH){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]B[5,5]C[5]C)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[5](N[5,5]B[5,5]C[5]C)(C[5]C[5]CC)(H)2{2|C<3>,5|H<1>}	109.0730	0.000	1	109.0730	0.000	1	109.5060	0.375	2	109.9695	0.850	4	112.7846	4.189	210	113.0812	4.910	303
999	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	4:4:4:4:	3:4:1:1:	4:4:1:1:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	C[5,6a]-3:N[5,5]-4:H-1:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5](B[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5]HH)(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]B[5,5]C[5]C)(H)2	C[5](N[5,5]B[5,5]C[5]C)(C[5]C[5]HH)(H)2	N[5,5](B[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5]HH)(CCHH){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]B[5,5]C[5]C)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[5](N[5,5]B[5,5]C[5]C)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	109.9390	0.000	1	109.9390	0.000	1	109.5060	0.375	2	109.9695	0.850	4	112.7846	4.189	210	113.0812	4.910	303
999	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	4:4:4:4:	3:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:C[5]-4:C[5]-4:	C[5,6a]-3:N[5,5]-4:H-1:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5](C[5]C[5,6a]HH)2(C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]3)(H)2	C[5](N[5,5]C[5]3)(C[5]C[5]HH)(H)2	N[5,5](C[5]C[5,6a]HH)2(C[5]C[5]CH)(C[5]C[5]HH){2|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]3)(H)2{2|C<4>,3|C<3>,6|H<1>}	C[5](N[5,5]C[5]3)(C[5]C[5]HH)(H)2{3|C<3>,7|H<1>}	110.4330	1.147	2	110.4330	1.315	2	110.4330	1.315	2	109.9695	0.850	4	112.7846	4.189	210	113.0812	4.910	303
999	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	4:4:4:4:	3:4:1:1:	4:4:3:1:	C[5]-4:C[5]-4:C[5]-4:C[5]-4:	C[5,6a]-3:N[5,5]-4:H-1:H-1:	N[5,5]-4:C[5]-4:C-3:H-1:	N[5,5](C[5]C[5,6a]HH)2(C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]3)(H)2	C[5](N[5,5]C[5]3)(C[5]C[5]HH)(CNO)(H)	N[5,5](C[5]C[5,6a]HH)2(C[5]C[5]CH)(C[5]C[5]HH){2|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]3)(H)2{2|C<4>,3|C<3>,6|H<1>}	C[5](N[5,5]C[5]3)(C[5]C[5]HH)(CNO)(H){2|C<3>,8|H<1>}	113.1155	5.414	2	113.1155	29.315	2	113.1155	29.315	2	113.1155	29.315	2	112.7846	4.189	210	113.0812	4.910	303
999	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	4:4:4:4:	4:3:1:1:	4:3:1:1:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C[5]-3:H-1:H-1:	N[5,5]-4:C[5]-3:H-1:H-1:	N[5,5](B[5,5]C[3]O[5]2)(C[5]C[5]HH)2(CH3)	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2	N[5,5](B[5,5]C[3]O[5]2)(C[5]C[5]HH)2(CH3){1|H<1>,2|C<4>,2|O<1>}	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	112.4395	1.501	4	112.4395	2.253	4	112.4137	0.507	54	112.3030	0.644	58	112.7846	4.189	210	113.0812	4.910	303
999	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	4:4:4:4:	4:3:1:1:	4:3:1:1:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C[5]-3:H-1:H-1:	N[5,5]-4:C[5]-3:H-1:H-1:	N[5,5](B[5,5]C[5]O[5]2)(C[5]C[5]HH)2(CH3)	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2	N[5,5](B[5,5]C[5]O[5]2)(C[5]C[5]HH)2(CH3){1|C<4>,1|H<1>,1|O<2>,2|O<1>}	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	112.2160	0.369	3	112.2160	0.136	3	112.4137	0.507	54	112.3030	0.644	58	112.7846	4.189	210	113.0812	4.910	303
999	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	4:4:4:4:	4:3:1:1:	4:3:1:1:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C[5]-3:H-1:H-1:	N[5,5]-4:C[5]-3:H-1:H-1:	N[5,5](B[5,5]C[5a]O[5]2)(C[5]C[5]HH)2(CH3)	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2	N[5,5](B[5,5]C[5a]O[5]2)(C[5]C[5]HH)2(CH3){1|C<3>,1|N<2>,2|O<1>}	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2{1|O<2>,2|C<3>,2|H<1>}	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2{1|O<2>,2|C<3>,2|H<1>}	112.9597	0.208	3	112.9257	0.072	9	112.4137	0.507	54	112.3030	0.644	58	112.7846	4.189	210	113.0812	4.910	303
999	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	4:4:4:4:	4:3:1:1:	4:3:1:1:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C[5]-3:H-1:H-1:	N[5,5]-4:C[5]-3:H-1:H-1:	N[5,5](B[5,5]C[5a]O[5]2)(C[5]C[5]HH)2(CH3)	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2	N[5,5](B[5,5]C[5a]O[5]2)(C[5]C[5]HH)2(CH3){1|C<3>,1|S<2>,2|O<1>}	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2{1|O<2>,2|C<3>,2|H<1>}	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2{1|O<2>,2|C<3>,2|H<1>}	112.9742	0.298	5	112.9257	0.072	9	112.4137	0.507	54	112.3030	0.644	58	112.7846	4.189	210	113.0812	4.910	303
999	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	4:4:4:4:	4:3:1:1:	4:3:1:1:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C[5]-3:H-1:H-1:	N[5,5]-4:C[5]-3:H-1:H-1:	N[5,5](B[5,5]C[5a]O[5]2)(C[5]C[5]HH)2(CH3)	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2	N[5,5](B[5,5]C[5a]O[5]2)(C[5]C[5]HH)2(CH3){2|C<3>,2|O<1>}	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2{1|O<2>,2|C<3>,2|H<1>}	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2{1|O<2>,2|C<3>,2|H<1>}	112.5810	0.000	1	112.9257	0.072	9	112.4137	0.507	54	112.3030	0.644	58	112.7846	4.189	210	113.0812	4.910	303
999	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	4:4:4:4:	4:3:1:1:	4:3:1:1:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C[5]-3:H-1:H-1:	N[5,5]-4:C[5]-3:H-1:H-1:	N[5,5](B[5,5]C[6]O[5]2)(C[5]C[5]HH)2(CH3)	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2	N[5,5](B[5,5]C[6]O[5]2)(C[5]C[5]HH)2(CH3){1|C<4>,1|H<1>,1|O<2>,2|O<1>}	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	112.5850	0.000	1	112.5850	0.000	1	112.4137	0.507	54	112.3030	0.644	58	112.7846	4.189	210	113.0812	4.910	303
999	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	4:4:4:4:	4:3:1:1:	4:3:1:1:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C[5]-3:H-1:H-1:	N[5,5]-4:C[5]-3:H-1:H-1:	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(CCHH)	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(CCHH){2|C<3>,2|O<1>}	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2{1|O<2>,2|C<3>,2|H<1>}	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2{1|O<2>,2|C<3>,2|H<1>}	112.3470	0.000	1	112.3470	0.000	1	112.4137	0.507	54	112.3030	0.644	58	112.7846	4.189	210	113.0812	4.910	303
999	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	4:4:4:4:	4:3:1:1:	4:3:1:1:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C[5]-3:H-1:H-1:	N[5,5]-4:C[5]-3:H-1:H-1:	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(CH3)	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(CH3){1|C<3>,1|N<2>,2|O<1>}	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2{1|O<2>,2|C<3>,2|H<1>}	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2{1|O<2>,2|C<3>,2|H<1>}	112.8980	0.330	2	112.4436	0.273	10	112.4137	0.507	54	112.3030	0.644	58	112.7846	4.189	210	113.0812	4.910	303
999	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	4:4:4:4:	4:3:1:1:	4:3:1:1:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C[5]-3:H-1:H-1:	N[5,5]-4:C[5]-3:H-1:H-1:	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(CH3)	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(CH3){2|C<3>,2|O<1>}	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2{1|O<2>,2|C<3>,2|H<1>}	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2{1|O<2>,2|C<3>,2|H<1>}	112.3300	0.512	8	112.4436	0.273	10	112.4137	0.507	54	112.3030	0.644	58	112.7846	4.189	210	113.0812	4.910	303
999	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	4:4:4:4:	4:3:1:1:	4:3:1:1:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C[5]-3:H-1:H-1:	N[5,5]-4:C[5]-3:H-1:H-1:	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3)	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3){2|O<1>}	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2{1|C<2>,1|C<3>,1|O<2>,2|H<1>}	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2{1|C<2>,1|C<3>,1|O<2>,2|H<1>}	112.8142	1.010	5	112.2083	0.566	24	112.4137	0.507	54	112.3030	0.644	58	112.7846	4.189	210	113.0812	4.910	303
999	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	4:4:4:4:	4:3:1:1:	4:3:1:1:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C[5]-3:H-1:H-1:	N[5,5]-4:C[5]-3:H-1:H-1:	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3)	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3){2|O<1>}	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	111.9700	0.524	8	112.2083	0.566	24	112.4137	0.507	54	112.3030	0.644	58	112.7846	4.189	210	113.0812	4.910	303
999	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	4:4:4:4:	4:3:1:1:	4:3:1:1:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C[5]-3:H-1:H-1:	N[5,5]-4:C[5]-3:H-1:H-1:	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3)	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3){2|O<1>}	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2{1|O<2>,2|C<3>,2|H<1>}	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2{1|O<2>,2|C<3>,2|H<1>}	112.1061	0.680	11	112.2083	0.566	24	112.4137	0.507	54	112.3030	0.644	58	112.7846	4.189	210	113.0812	4.910	303
999	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	4:4:4:4:	4:3:1:1:	4:3:1:1:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C[5]-3:H-1:H-1:	N[5,5]-4:C[5]-3:H-1:H-1:	N[5,5](B[5,5]O[5]2O)(C[5]C[5]HH)2(CH3)	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2	N[5,5](B[5,5]O[5]2O)(C[5]C[5]HH)2(CH3){2|O<1>}	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2{1|C<3>,2|H<1>,2|O<2>}	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2{1|C<3>,2|H<1>,2|O<2>}	112.6175	0.392	2	112.6175	0.154	2	112.4137	0.507	54	112.3030	0.644	58	112.7846	4.189	210	113.0812	4.910	303
999	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	4:4:4:4:	4:3:1:1:	4:3:1:1:	B[5,5]-4:C[6,6]-4:C[5]-4:C[5]-4:	N[5,5]-4:C[5]-3:H-1:H-1:	N[5,5]-4:C[5]-3:H-1:H-1:	N[5,5](B[5,5]C[3]O[5]2)(C[6,6]C[6,6]2H)(C[5]C[5]HH)2	C[5](N[5,5]B[5,5]C[6,6]C[5])(C[5]O[5]O)(H)2	C[5](N[5,5]B[5,5]C[6,6]C[5])(C[5]O[5]O)(H)2	N[5,5](B[5,5]C[3]O[5]2)(C[6,6]C[6,6]2H)(C[5]C[5]HH)2{1|O<2>,2|O<1>,4|C<4>,4|H<1>}	C[5](N[5,5]B[5,5]C[6,6]C[5])(C[5]O[5]O)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5](N[5,5]B[5,5]C[6,6]C[5])(C[5]O[5]O)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	110.6907	0.198	3	110.6907	0.039	3	110.6907	0.039	3	112.3030	0.644	58	112.7846	4.189	210	113.0812	4.910	303
999	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	4:4:4:4:	4:3:1:1:	4:3:1:1:	C[6,6]-4:B[5,5]-4:C[5]-4:C[5]-4:	N[5,5]-4:C[5]-3:H-1:H-1:	N[5,5]-4:C[5]-3:H-1:H-1:	N[5,5](C[6,6]C[6,6]2H)(B[5,5]O[5]2C)(C[5]C[5]HH)2	C[5](N[5,5]B[5,5]C[6,6]C[5])(C[5]O[5]O)(H)2	C[5](N[5,5]B[5,5]C[6,6]C[5])(C[5]O[5]O)(H)2	N[5,5](C[6,6]C[6,6]2H)(B[5,5]O[5]2C)(C[5]C[5]HH)2{2|O<1>,3|C<4>,3|H<1>}	C[5](N[5,5]B[5,5]C[6,6]C[5])(C[5]O[5]O)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](N[5,5]B[5,5]C[6,6]C[5])(C[5]O[5]O)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	111.1640	0.000	1	111.1640	0.000	1	111.1640	0.000	1	112.3030	0.644	58	112.7846	4.189	210	113.0812	4.910	303
999	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5](B[5,5]C[5a]O[5]2)(C[5]C[5]HH)2(CCHH)	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]HH)(H)2	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]HH)(H)2	N[5,5](B[5,5]C[5a]O[5]2)(C[5]C[5]HH)2(CCHH){2|C<3>,4|H<1>}	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	112.6650	0.000	1	112.6650	0.000	1	111.6734	2.730	9	112.6016	3.556	91	112.7846	4.189	210	113.0812	4.910	303
999	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(CC3)	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]HH)(H)2	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]HH)(H)2	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(CC3){2|C<3>,4|H<1>}	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	108.7855	0.002	2	108.7855	0.000	2	111.6734	2.730	9	112.6016	3.556	91	112.7846	4.189	210	113.0812	4.910	303
999	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(CH3)	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]HH)(H)2	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]HH)(H)2	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(CH3){1|C<3>,1|N<2>,4|H<1>}	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	112.8540	0.000	1	112.5385	0.199	2	111.6734	2.730	9	112.6016	3.556	91	112.7846	4.189	210	113.0812	4.910	303
999	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(CH3)	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]HH)(H)2	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]HH)(H)2	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(CH3){2|C<3>,4|H<1>}	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	112.2230	0.000	1	112.5385	0.199	2	111.6734	2.730	9	112.6016	3.556	91	112.7846	4.189	210	113.0812	4.910	303
999	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CCHH)	C[5](N[5,5]B[5,5]C[5]C)(C[5]C[6a]O[5]H)(H)2	C[5](N[5,5]B[5,5]C[5]C)(C[5]C[6a]O[5]H)(H)2	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CCHH){2|C<3>,2|H<1>}	C[5](N[5,5]B[5,5]C[5]C)(C[5]C[6a]O[5]H)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5](N[5,5]B[5,5]C[5]C)(C[5]C[6a]O[5]H)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	112.7730	0.000	1	112.7730	0.000	1	111.6734	2.730	9	112.6016	3.556	91	112.7846	4.189	210	113.0812	4.910	303
999	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CC[6a]HH)	C[5](N[5,5]B[5,5]C[5]C)(C[5]C[6a]O[5]H)(H)2	C[5](N[5,5]B[5,5]C[5]C)(C[5]C[6a]O[5]H)(H)2	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CC[6a]HH){2|C<3>,2|H<1>}	C[5](N[5,5]B[5,5]C[5]C)(C[5]C[6a]O[5]H)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5](N[5,5]B[5,5]C[5]C)(C[5]C[6a]O[5]H)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	112.3250	0.018	3	112.3250	0.000	3	111.6734	2.730	9	112.6016	3.556	91	112.7846	4.189	210	113.0812	4.910	303
999	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[4x5]-4:C[5]-4:C[5]-4:B-4:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5](C[4x5]C[5,5]3)(C[5]C[5]HH)2(BH3)	C[5](N[5,5]C[4x5]C[5]B)(C[5]C[5,5]HH)(H)2	C[5](N[5,5]C[4x5]C[5]B)(C[5]C[5,5]HH)(H)2	N[5,5](C[4x5]C[5,5]3)(C[5]C[5]HH)2(BH3){4|C<4>,7|H<1>}	C[5](N[5,5]C[4x5]C[5]B)(C[5]C[5,5]HH)(H)2{3|H<1>,4|C<4>}	C[5](N[5,5]C[4x5]C[5]B)(C[5]C[5,5]HH)(H)2{3|H<1>,4|C<4>}	111.1240	0.000	1	111.1240	0.000	1	111.1240	0.000	1	112.6016	3.556	91	112.7846	4.189	210	113.0812	4.910	303
999	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,5]-4:C[5]-4:C[5]-4:B-4:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)2(BH3)	C[5](N[5,5]C[5,5]C[5]B)(C[5]C[5]HH)(H)2	C[5](N[5,5]C[5,5]C[5]B)(C[5]C[5]HO)(H)2	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)2(BH3){3|O<2>,5|H<1>}	C[5](N[5,5]C[5,5]C[5]B)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,4|H<1>}	C[5](N[5,5]C[5,5]C[5]B)(C[5]C[5]HO)(H)2{1|O<2>,2|C<4>,4|H<1>}	112.0650	0.000	1	112.0650	0.000	1	112.0650	0.000	1	112.6016	3.556	91	112.7846	4.189	210	113.0812	4.910	303
999	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:C[5]-4:C[5]-4:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5](C[5]C[5]HH)4	C[5](N[5,5]C[5]3)(C[5]C[5]HH)(H)2	C[5](N[5,5]C[5]3)(C[5]C[5]HH)(H)2	N[5,5](C[5]C[5]HH)4{8|H<1>}	C[5](N[5,5]C[5]3)(C[5]C[5]HH)(H)2{2|C<4>,8|H<1>}	C[5](N[5,5]C[5]3)(C[5]C[5]HH)(H)2{2|C<4>,8|H<1>}	112.8230	1.903	76	112.8230	3.622	76	112.8230	3.622	76	112.6016	3.556	91	112.7846	4.189	210	113.0812	4.910	303
999	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	Ge[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5](Ge[5,5]O[5]2Pd)(C[5]C[5]HH)2(CH3)	C[5](N[5,5]Ge[5,5]C[5]C)(C[5]C[6a]2O[5])(H)2	C[5](N[5,5]Ge[5,5]C[5]C)(C[5]O[5]HH)(H)2	N[5,5](Ge[5,5]O[5]2Pd)(C[5]C[5]HH)2(CH3){2|C<3>,2|H<1>}	C[5](N[5,5]Ge[5,5]C[5]C)(C[5]C[6a]2O[5])(H)2{1|Pd<4>,1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5](N[5,5]Ge[5,5]C[5]C)(C[5]O[5]HH)(H)2{1|Pd<4>,1|C<4>,1|O<2>,2|H<1>}	110.6060	0.458	3	110.6060	0.210	3	110.6060	0.210	3	112.6016	3.556	91	112.7846	4.189	210	113.0812	4.910	303
999	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	In[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5](In[5,5]N[5]2C)(C[5]C[5]HH)2(CCHH)	C[5](N[5,5]In[5,5]C[5]C)(C[5]N[5]HH)(H)2	C[5](N[5,5]In[5,5]C[5]C)(C[5]N[5]HH)(H)2	N[5,5](In[5,5]N[5]2C)(C[5]C[5]HH)2(CCHH){2|S<4>,4|H<1>}	C[5](N[5,5]In[5,5]C[5]C)(C[5]N[5]HH)(H)2{1|N<3>,1|S<4>,2|C<4>,2|H<1>}	C[5](N[5,5]In[5,5]C[5]C)(C[5]N[5]HH)(H)2{1|N<3>,1|S<4>,2|C<4>,2|H<1>}	112.1290	0.000	1	112.1290	0.000	1	112.1290	0.000	1	112.6016	3.556	91	112.7846	4.189	210	113.0812	4.910	303
999	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:C[5]-4:C-4:H-1:	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH)	C[5](N[5,5]C[5,5]C[5]C)(C[5]C[5]CH)(H)2	C[5](N[5,5]C[5,5]C[5]C)(C[5]C[5]CH)(CH3)(H)	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH){1|C<3>,3|C<4>,4|H<1>}	C[5](N[5,5]C[5,5]C[5]C)(C[5]C[5]CH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5](N[5,5]C[5,5]C[5]C)(C[5]C[5]CH)(CH3)(H){2|C<4>,5|H<1>}	111.6640	0.000	1	111.6640	0.000	1	111.6640	0.000	1	111.6640	0.000	1	112.7846	4.189	210	113.0812	4.910	303
999	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	4:4:4:4:	4:4:4:1:	4:4:1:1:	B[5,5,6]-4:C[5]-4:C[5]-4:B-4:	N[5,5]-4:C[5]-4:C-4:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5](B[5,5,6]N[5,6]O[5]O[6])(C[5]C[5]CH)(C[5]C[5]HH)(BH3)	C[5](N[5,5]B[5,5,6]C[5]B)(C[5]O[5]HH)(CH3)(H)	C[5](N[5,5]B[5,5,6]C[5]B)(C[5]N[5,6]CH)(H)2	N[5,5](B[5,5,6]N[5,6]O[5]O[6])(C[5]C[5]CH)(C[5]C[5]HH)(BH3){1|B<4>,1|C<3>,2|C<4>,3|H<1>}	C[5](N[5,5]B[5,5,6]C[5]B)(C[5]O[5]HH)(CH3)(H){1|C<4>,1|N<4>,1|O<2>,2|H<1>}	C[5](N[5,5]B[5,5,6]C[5]B)(C[5]N[5,6]CH)(H)2{1|B<4>,1|H<1>,2|O<2>,3|C<4>}	113.8500	0.000	1	113.8500	0.000	1	113.8500	0.000	1	113.6135	0.112	2	112.7846	4.189	210	113.0812	4.910	303
999	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[5,5]-4:C[5]-4:C[5]-4:C-4:	C[5,5]-4:N[5,5]-4:C-4:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]CH)(C[5]C[5]HH)(CC[6a]CH)	C[5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5,5]C[5]C)(CCHO)(H)	C[5](N[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]CH)(C[5]C[5]HH)(CC[6a]CH){1|I<1>,2|O<2>,5|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5,5]C[5]C)(CCHO)(H){1|O<2>,3|C<4>,4|H<1>}	C[5](N[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2{1|I<1>,3|C<4>,3|H<1>}	113.3770	0.000	1	113.3770	0.000	1	113.3770	0.000	1	113.6135	0.112	2	112.7846	4.189	210	113.0812	4.910	303
999	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	5:4:4:1:	4:4:3:4:	4:3:1:1:	Ga[3x5]-5:C[5]-4:C[5]-4:H-1:	N[5,5]-4:C[5]-4:C[6a]-3:C-4:	N[5,5]-4:C[5]-3:H-1:H-1:	N[5,5](Ga[3x5]N[5,5]O[5]2O)(C[5]C[6a]C[5]C)(C[5]C[5]HH)(H)	C[5](N[5,5]Ga[3x5]C[5]H)(C[5]N[5,5]HH)(C[6a]C[6a]2)(CHHN)	C[5](N[5,5]Ga[3x5]C[5]H)(C[5]O[5]O)(H)2	N[5,5](Ga[3x5]N[5,5]O[5]2O)(C[5]C[6a]C[5]C)(C[5]C[5]HH)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5](N[5,5]Ga[3x5]C[5]H)(C[5]N[5,5]HH)(C[6a]C[6a]2)(CHHN){2|C<4>,3|C<3>,3|O<2>,4|H<1>}	C[5](N[5,5]Ga[3x5]C[5]H)(C[5]O[5]O)(H)2{1|C<3>,1|N<4>,2|C<4>,2|O<2>}	120.7715	0.047	2	120.7715	0.002	2	120.7715	0.002	2	120.7715	0.002	2	112.7846	4.189	210	113.0812	4.910	303
999	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	5:4:4:4:	4:3:1:1:	4:3:1:1:	Ga[5,5]-5:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C[5]-3:H-1:H-1:	N[5,5]-4:C[5]-3:H-1:H-1:	N[5,5](Ga[5,5]O[5]2OO)(C[5]C[5]HH)2(CCHH)	C[5](N[5,5]Ga[5,5]C[5]C)(C[5]O[5]O)(H)2	C[5](N[5,5]Ga[5,5]C[5]C)(C[5]O[5]O)(H)2	N[5,5](Ga[5,5]O[5]2OO)(C[5]C[5]HH)2(CCHH){2|O<1>}	C[5](N[5,5]Ga[5,5]C[5]C)(C[5]O[5]O)(H)2{1|C<3>,1|O<3>,2|H<1>,2|O<2>}	C[5](N[5,5]Ga[5,5]C[5]C)(C[5]O[5]O)(H)2{1|C<3>,1|O<3>,2|H<1>,2|O<2>}	111.6460	0.000	1	111.6460	0.000	1	111.6460	0.000	1	111.6460	0.000	1	112.7846	4.189	210	113.0812	4.910	303
999	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	5:4:4:4:	4:4:1:1:	4:3:1:1:	Ga[3x5]-5:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:C[5]-3:H-1:H-1:	N[5,5](Ga[3x5]N[5,5]O[5]2O)(C[5]C[5]HH)2(CCHH)	C[5](N[5,5]Ga[3x5]C[5]C)(C[5]N[5,5]C[6a]C)(H)2	C[5](N[5,5]Ga[3x5]C[5]C)(C[5]O[5]O)(H)2	N[5,5](Ga[3x5]N[5,5]O[5]2O)(C[5]C[5]HH)2(CCHH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5](N[5,5]Ga[3x5]C[5]C)(C[5]N[5,5]C[6a]C)(H)2{1|C<4>,3|C<3>,3|H<1>,3|O<2>}	C[5](N[5,5]Ga[3x5]C[5]C)(C[5]O[5]O)(H)2{1|C<4>,1|N<4>,2|H<1>,2|O<2>}	117.0185	0.630	2	117.0185	0.397	2	117.0185	0.397	2	114.1505	11.101	4	112.7846	4.189	210	113.0812	4.910	303
999	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	5:4:4:4:	4:4:1:1:	4:3:1:1:	Ga[4x5]-5:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:C[5]-3:H-1:H-1:	N[5,5](Ga[4x5]N[5,5]2O[5]2)(C[5]C[5]HH)2(CCHH)	C[5](N[5,5]Ga[4x5]C[5]C)(C[5]N[5,5]HH)(H)2	C[5](N[5,5]Ga[4x5]C[5]C)(C[5]O[5]O)(H)2	N[5,5](Ga[4x5]N[5,5]2O[5]2)(C[5]C[5]HH)2(CCHH){1|C<3>,1|O<1>,2|H<1>,5|C<4>}	C[5](N[5,5]Ga[4x5]C[5]C)(C[5]N[5,5]HH)(H)2{1|C<3>,1|N<4>,2|C<4>,2|H<1>,2|O<2>}	C[5](N[5,5]Ga[4x5]C[5]C)(C[5]O[5]O)(H)2{1|C<4>,1|O<2>,2|H<1>,2|N<4>}	111.2825	0.071	2	111.2825	0.005	2	111.2825	0.005	2	114.1505	11.101	4	112.7846	4.189	210	113.0812	4.910	303
999	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	5:4:4:4:	4:4:1:1:	4:4:1:1:	Ga[3x5]-5:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5](Ga[3x5]N[5]2O[5]2)(C[5]C[5]HH)2(CCHH)	C[5](N[5,5]Ga[3x5]C[5]C)(C[5]N[5]HH)(H)2	C[5](N[5,5]Ga[3x5]C[5]C)(C[5]N[5]HH)(H)2	N[5,5](Ga[3x5]N[5]2O[5]2)(C[5]C[5]HH)2(CCHH){2|C<3>,8|H<1>}	C[5](N[5,5]Ga[3x5]C[5]C)(C[5]N[5]HH)(H)2{1|C<4>,1|N<4>,2|O<2>,4|H<1>}	C[5](N[5,5]Ga[3x5]C[5]C)(C[5]N[5]HH)(H)2{1|C<4>,1|N<4>,2|O<2>,4|H<1>}	111.0970	0.000	1	111.0970	0.000	1	111.0970	0.000	1	111.5595	0.428	2	112.7846	4.189	210	113.0812	4.910	303
999	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	5:4:4:4:	4:4:1:1:	4:4:1:1:	Ga[4x5]-5:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5](Ga[4x5]N[5,5]2O[5]2)(C[5]C[5]HH)2(CCHH)	C[5](N[5,5]Ga[4x5]C[5]C)(C[5]N[5,5]HH)(H)2	C[5](N[5,5]Ga[4x5]C[5]C)(C[5]N[5,5]HH)(H)2	N[5,5](Ga[4x5]N[5,5]2O[5]2)(C[5]C[5]HH)2(CCHH){2|C<3>,4|C<4>,4|H<1>}	C[5](N[5,5]Ga[4x5]C[5]C)(C[5]N[5,5]HH)(H)2{1|N<4>,2|H<1>,2|O<2>,3|C<4>}	C[5](N[5,5]Ga[4x5]C[5]C)(C[5]N[5,5]HH)(H)2{1|N<4>,2|H<1>,2|O<2>,3|C<4>}	112.0220	0.000	1	112.0220	0.000	1	112.0220	0.000	1	111.5595	0.428	2	112.7846	4.189	210	113.0812	4.910	303
999	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	6:4:4:1:	4:3:1:1:	4:4:1:1:	Ga[3x5]-6:C[5]-4:C[5]-4:H-1:	N[5,5]-4:C[5,6]-3:H-1:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5](Ga[3x5]N[5,5]N[5,6]2Cl2)(C[5]C[5,6]HH)(C[5]C[5]HH)(H)	C[5](N[5,5]Ga[3x5]C[5]H)(C[5,6]N[5,6]C[6])(H)2	C[5](N[5,5]Ga[3x5]C[5]H)(C[5]N[5,5]HH)(H)2	N[5,5](Ga[3x5]N[5,5]N[5,6]2Cl2)(C[5]C[5,6]HH)(C[5]C[5]HH)(H){1|C<4>,3|H<1>,4|C<3>}	C[5](N[5,5]Ga[3x5]C[5]H)(C[5,6]N[5,6]C[6])(H)2{2|Cl<1>,1|C<4>,1|N<3>,1|N<4>,2|C<3>,3|H<1>}	C[5](N[5,5]Ga[3x5]C[5]H)(C[5]N[5,5]HH)(H)2{2|Cl<1>,1|C<3>,1|C<4>,2|N<3>,3|H<1>}	110.8925	0.446	2	110.8925	0.199	2	110.8925	0.199	2	111.0787	0.204	3	112.7846	4.189	210	113.0812	4.910	303
999	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	6:4:4:1:	4:3:1:1:	4:4:1:1:	Ga[5x5]-6:C[5]-4:C[5]-4:H-1:	N[5,5]-4:C[5,6]-3:H-1:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5](Ga[5x5]N[5,5,6]2N[5,5]O[5]2)(C[5]C[5,6]HH)(C[5]C[5]HH)(H)	C[5](N[5,5]Ga[5x5]C[5]H)(C[5,6]N[5,5,6]C[6])(H)2	C[5](N[5,5]Ga[5x5]C[5]H)(C[5]N[5,5]HH)(H)2	N[5,5](Ga[5x5]N[5,5,6]2N[5,5]O[5]2)(C[5]C[5,6]HH)(C[5]C[5]HH)(H){1|C<4>,2|H<1>,6|C<3>}	C[5](N[5,5]Ga[5x5]C[5]H)(C[5,6]N[5,5,6]C[6])(H)2{1|C<4>,2|C<3>,2|N<3>,2|O<2>,3|H<1>}	C[5](N[5,5]Ga[5x5]C[5]H)(C[5]N[5,5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>,2|N<3>,2|O<2>}	111.4510	0.000	1	111.4510	0.000	1	111.4510	0.000	1	111.0787	0.204	3	112.7846	4.189	210	113.0812	4.910	303
999	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	6:4:4:1:	4:4:1:1:	4:4:1:1:	Ga[3x5,6,6]-6:C[5]-4:C[5]-4:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5](Ga[3x5,6,6]N[5,5]N[5,6]2O[6]2)(C[5]C[5]HH)2(H)	C[5](N[5,5]Ga[3x5,6,6]C[5]H)(C[5]N[5,6]HH)(H)2	C[5](N[5,5]Ga[3x5,6,6]C[5]H)(C[5]N[5,5]HH)(H)2	N[5,5](Ga[3x5,6,6]N[5,5]N[5,6]2O[6]2)(C[5]C[5]HH)2(H){2|C<4>,4|C<3>,5|H<1>}	C[5](N[5,5]Ga[3x5,6,6]C[5]H)(C[5]N[5,6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|N<4>,2|H<1>,2|O<2>}	C[5](N[5,5]Ga[3x5,6,6]C[5]H)(C[5]N[5,5]HH)(H)2{2|C<4>,2|N<3>,2|O<2>,3|H<1>}	112.4570	0.000	1	112.4570	0.000	1	112.4570	0.000	1	114.8599	8.135	10	112.7846	4.189	210	113.0812	4.910	303
999	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	6:4:4:1:	4:4:1:1:	4:4:1:1:	Ga[4x5,6,6]-6:C[5]-4:C[5]-4:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5](Ga[4x5,6,6]N[5,5,6]2N[5,5]O[6]2)(C[5]C[5]HH)2(H)	C[5](N[5,5]Ga[4x5,6,6]C[5]H)(C[5]N[5,5,6]HH)(H)2	C[5](N[5,5]Ga[4x5,6,6]C[5]H)(C[5]N[5,5,6]HH)(H)2	N[5,5](Ga[4x5,6,6]N[5,5,6]2N[5,5]O[6]2)(C[5]C[5]HH)2(H){2|C<3>,5|H<1>,6|C<4>}	C[5](N[5,5]Ga[4x5,6,6]C[5]H)(C[5]N[5,5,6]HH)(H)2{2|H<1>,2|N<4>,2|O<2>,3|C<4>}	C[5](N[5,5]Ga[4x5,6,6]C[5]H)(C[5]N[5,5,6]HH)(H)2{2|H<1>,2|N<4>,2|O<2>,3|C<4>}	117.4720	1.769	2	117.4720	3.130	2	117.4720	3.130	2	114.8599	8.135	10	112.7846	4.189	210	113.0812	4.910	303
999	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	6:4:4:1:	4:4:1:1:	4:4:1:1:	Ga[4x5]-6:C[5]-4:C[5]-4:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5](Ga[4x5]N[5,5]3Cl2)(C[5]C[5]HH)2(H)	C[5](N[5,5]Ga[4x5]C[5]H)(C[5]N[5,5]HH)(H)2	C[5](N[5,5]Ga[4x5]C[5]H)(C[5]N[5,5]HH)(H)2	N[5,5](Ga[4x5]N[5,5]3Cl2)(C[5]C[5]HH)2(H){4|C<4>,7|H<1>}	C[5](N[5,5]Ga[4x5]C[5]H)(C[5]N[5,5]HH)(H)2{2|Cl<1>,2|C<4>,2|N<4>,3|H<1>}	C[5](N[5,5]Ga[4x5]C[5]H)(C[5]N[5,5]HH)(H)2{2|Cl<1>,2|C<4>,2|N<4>,3|H<1>}	114.7448	3.611	4	114.7448	13.038	4	114.7448	13.038	4	114.8599	8.135	10	112.7846	4.189	210	113.0812	4.910	303
999	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	6:4:4:1:	4:4:1:1:	4:4:1:1:	In[3x5,6,6]-6:C[5]-4:C[5]-4:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5](In[3x5,6,6]N[5,5]N[5,6]2O[6]2)(C[5]C[5]HH)2(H)	C[5](N[5,5]In[3x5,6,6]C[5]H)(C[5]N[5,6]HH)(H)2	C[5](N[5,5]In[3x5,6,6]C[5]H)(C[5]N[5,5]HH)(H)2	N[5,5](In[3x5,6,6]N[5,5]N[5,6]2O[6]2)(C[5]C[5]HH)2(H){2|C<4>,4|C<3>,5|H<1>}	C[5](N[5,5]In[3x5,6,6]C[5]H)(C[5]N[5,6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|N<4>,2|H<1>,2|O<2>}	C[5](N[5,5]In[3x5,6,6]C[5]H)(C[5]N[5,5]HH)(H)2{2|C<4>,2|N<3>,2|O<2>,3|H<1>}	112.9760	1.556	2	112.9760	2.420	2	112.9760	2.420	2	114.8599	8.135	10	112.7846	4.189	210	113.0812	4.910	303
999	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	6:4:4:1:	4:4:1:1:	4:4:1:1:	In[3x5]-6:C[5]-4:C[5]-4:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5](In[3x5]N[5,5]N[5]2Te2)(C[5]C[5]HH)2(H)	C[5](N[5,5]In[3x5]C[5]H)(C[5]N[5,5]HH)(H)2	C[5](N[5,5]In[3x5]C[5]H)(C[5]N[5]HH)(H)2	N[5,5](In[3x5]N[5,5]N[5]2Te2)(C[5]C[5]HH)2(H){2|C<4>,9|H<1>}	C[5](N[5,5]In[3x5]C[5]H)(C[5]N[5,5]HH)(H)2{2|Te<2>,2|C<4>,2|N<4>,3|H<1>}	C[5](N[5,5]In[3x5]C[5]H)(C[5]N[5]HH)(H)2{2|Te<2>,1|C<4>,2|N<4>,4|H<1>}	116.2670	0.000	1	116.2670	0.000	1	116.2670	0.000	1	114.8599	8.135	10	112.7846	4.189	210	113.0812	4.910	303
999	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	6:4:4:4:	4:3:1:1:	4:3:1:1:	Ga[4x5]-6:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C[5]-3:H-1:H-1:	N[5,5]-4:C[5]-3:H-1:H-1:	N[5,5](Ga[4x5]N[5,5]O[5]4)(C[5]C[5]HH)2(CCHH)	C[5](N[5,5]Ga[4x5]C[5]C)(C[5]O[5]O)(H)2	C[5](N[5,5]Ga[4x5]C[5]C)(C[5]O[5]O)(H)2	N[5,5](Ga[4x5]N[5,5]O[5]4)(C[5]C[5]HH)2(CCHH){2|C<3>,2|O<1>,3|C<4>}	C[5](N[5,5]Ga[4x5]C[5]C)(C[5]O[5]O)(H)2{1|C<3>,1|N<4>,2|H<1>,3|O<2>}	C[5](N[5,5]Ga[4x5]C[5]C)(C[5]O[5]O)(H)2{1|C<3>,1|N<4>,2|H<1>,3|O<2>}	111.6390	0.000	1	111.6390	0.000	1	111.6390	0.000	1	111.6390	0.000	1	112.7846	4.189	210	113.0812	4.910	303
999	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	6:4:4:4:	4:4:1:1:	4:4:1:1:	Ga[3x5]-6:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5](Ga[3x5]N[5,5]2F3)(C[5]C[5]HH)2(CH3)	C[5](N[5,5]Ga[3x5]C[5]C)(C[5]N[5,5]HH)(H)2	C[5](N[5,5]Ga[3x5]C[5]C)(C[5]N[5,5]HH)(H)2	N[5,5](Ga[3x5]N[5,5]2F3)(C[5]C[5]HH)2(CH3){4|C<4>,4|H<1>}	C[5](N[5,5]Ga[3x5]C[5]C)(C[5]N[5,5]HH)(H)2{1|N<4>,2|H<1>,3|C<4>,3|F<1>}	C[5](N[5,5]Ga[3x5]C[5]C)(C[5]N[5,5]HH)(H)2{1|N<4>,2|H<1>,3|C<4>,3|F<1>}	111.3033	1.320	3	111.3033	1.743	3	111.3033	1.743	3	111.6661	0.575	9	112.7846	4.189	210	113.0812	4.910	303
999	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	6:4:4:4:	4:4:1:1:	4:4:1:1:	In[3x5]-6:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5](In[3x5]N[5,5]2Br3)(C[5]C[5]HH)2(CH3)	C[5](N[5,5]In[3x5]C[5]C)(C[5]N[5,5]HH)(H)2	C[5](N[5,5]In[3x5]C[5]C)(C[5]N[5,5]HH)(H)2	N[5,5](In[3x5]N[5,5]2Br3)(C[5]C[5]HH)2(CH3){4|C<4>,4|H<1>}	C[5](N[5,5]In[3x5]C[5]C)(C[5]N[5,5]HH)(H)2{3|Br<1>,1|N<4>,2|H<1>,3|C<4>}	C[5](N[5,5]In[3x5]C[5]C)(C[5]N[5,5]HH)(H)2{3|Br<1>,1|N<4>,2|H<1>,3|C<4>}	111.7987	0.278	3	111.7987	0.077	3	111.8475	0.104	6	111.6661	0.575	9	112.7846	4.189	210	113.0812	4.910	303
999	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	6:4:4:4:	4:4:1:1:	4:4:1:1:	In[3x5]-6:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5](In[3x5]N[5,5]2F3)(C[5]C[5]HH)2(CH3)	C[5](N[5,5]In[3x5]C[5]C)(C[5]N[5,5]HH)(H)2	C[5](N[5,5]In[3x5]C[5]C)(C[5]N[5,5]HH)(H)2	N[5,5](In[3x5]N[5,5]2F3)(C[5]C[5]HH)2(CH3){4|C<4>,4|H<1>}	C[5](N[5,5]In[3x5]C[5]C)(C[5]N[5,5]HH)(H)2{1|N<4>,2|H<1>,3|C<4>,3|F<1>}	C[5](N[5,5]In[3x5]C[5]C)(C[5]N[5,5]HH)(H)2{1|N<4>,2|H<1>,3|C<4>,3|F<1>}	111.8963	0.419	3	111.8963	0.176	3	111.8475	0.104	6	111.6661	0.575	9	112.7846	4.189	210	113.0812	4.910	303
999	474	474	0:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:1:	4:4:3:1:	4:4:1:1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-4:C[5]-3:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5](C[5]C[5]2H)(C[5]C[5]HH)2(H)	C[5](C[5]C[5]CC)(N[5]C[5]2H)(C[5]C[5]C)(H)	C[5](C[5]C[5]HH)(N[5]C[5]2H)(H)2	N[5](C[5]C[5]2H)(C[5]C[5]HH)2(H){2|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[5]CC)(N[5]C[5]2H)(C[5]C[5]C)(H){2|C<4>,7|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]2H)(H)2{1|C<3>,1|C<4>,5|H<1>}	118.3980	1.771	2	118.3980	3.135	2	116.4723	4.107	6	116.4723	4.107	6	116.1261	3.373	8	113.0812	4.910	303
999	474	474	0:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:1:	4:4:3:1:	4:4:1:1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-4:C[5]-3:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5](C[5]C[5]2H)(C[5]C[5]HH)2(H)	C[5](C[5]C[5]CH)(N[5]C[5]2H)(C[5]C[5]H)(H)	C[5](C[5]C[5]HH)(N[5]C[5]2H)(H)2	N[5](C[5]C[5]2H)(C[5]C[5]HH)2(H){1|C<4>,2|C<3>,6|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]2H)(C[5]C[5]H)(H){1|O<1>,2|C<4>,5|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]2H)(H)2{1|C<3>,1|C<4>,5|H<1>}	115.4865	2.032	2	115.4865	4.127	2	116.4723	4.107	6	116.4723	4.107	6	116.1261	3.373	8	113.0812	4.910	303
999	474	474	0:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:1:	4:4:3:1:	4:4:1:1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-4:C[5]-3:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5](C[5]C[5]2H)(C[5]C[5]HH)2(H)	C[5](C[5]C[5]C[6]H)(N[5]C[5]2H)(C[5]C[5]H)(H)	C[5](C[5]C[5]HH)(N[5]C[5]2H)(H)2	N[5](C[5]C[5]2H)(C[5]C[5]HH)2(H){3|C<3>,6|H<1>}	C[5](C[5]C[5]C[6]H)(N[5]C[5]2H)(C[5]C[5]H)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]2H)(H)2{1|C<3>,1|C<4>,5|H<1>}	115.5325	1.464	2	115.5325	2.145	2	116.4723	4.107	6	116.4723	4.107	6	116.1261	3.373	8	113.0812	4.910	303
999	474	474	0:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:1:	4:4:4:1:	4:3:1:1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:N[5]-4:H-1:	N[5]-4:C[5]-3:H-1:H-1:	N[5](C[5]C[5]2H)(C[5]C[5]HH)2(H)	C[5](C[5]C[5,6a]HH)2(N[5]C[5]2H)(H)	C[5](N[5]C[5]2H)(C[5]C[5]H)(H)2	N[5](C[5]C[5]2H)(C[5]C[5]HH)2(H){2|C<3>,7|H<1>}	C[5](C[5]C[5,6a]HH)2(N[5]C[5]2H)(H){1|C<4>,3|C<3>,4|H<1>}	C[5](N[5]C[5]2H)(C[5]C[5]H)(H)2{2|C<4>,5|H<1>}	115.4050	0.000	1	115.4050	0.000	1	115.4050	0.000	1	115.4050	0.000	1	116.1261	3.373	8	113.0812	4.910	303
999	474	474	0:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:N[5]-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5](C[5]C[5]2H)(C[5]C[5]HH)2(H)	C[5](C[5]C[5,6a]HH)2(N[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(N[5]C[5]2H)(H)2	N[5](C[5]C[5]2H)(C[5]C[5]HH)2(H){2|C<3>,7|H<1>}	C[5](C[5]C[5,6a]HH)2(N[5]C[5]2H)(H){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]2H)(H)2{2|C<4>,4|H<1>}	114.7700	0.000	1	114.7700	0.000	1	114.7700	0.000	1	114.7700	0.000	1	116.1261	3.373	8	113.0812	4.910	303
999	474	474	5:SP3_SP3_SP3	N[3x5,6]	C[5,5,6]	C[5,5,6]	4:4:4:4:	4:4:4:1:	4:4:4:1:	B[3x5]-4:C[5,5,6]-4:C[5,5,6]-4:C-4:	N[3x5,6]-4:C[5,6]-4:C[5]-4:H-1:	N[3x5,6]-4:C[5,6]-4:C[5]-4:H-1:	N[3x5,6](B[3x5]C[5,5,6]O[5]2)(C[5,5,6]C[5,6]C[5]H)2(CC[6a]HH)	C[5,5,6](N[3x5,6]C[5,5,6]B[3x5]C)(C[5,6]C[5,5,6]HH)(C[5]C[5]HH)(H)	C[5,5,6](N[3x5,6]C[5,5,6]B[3x5]C)(C[5,6]C[5,5,6]HS)(C[5]C[5]HH)(H)	N[3x5,6](B[3x5]C[5,5,6]O[5]2)(C[5,5,6]C[5,6]C[5]H)2(CC[6a]HH){1|C<3>,1|S<2>,2|C<4>,7|H<1>}	C[5,5,6](N[3x5,6]C[5,5,6]B[3x5]C)(C[5,6]C[5,5,6]HH)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[5,5,6](N[3x5,6]C[5,5,6]B[3x5]C)(C[5,6]C[5,5,6]HS)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	100.8440	0.000	1	100.8440	0.000	1	100.8440	0.000	1	100.8440	0.000	1	100.8440	0.000	1	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[3x5]	C[5,5]	C[5,5]	4:4:4:1:	4:3:2:1:	4:4:3:1:	B[5,5]-4:C[5,5]-4:C[5,5]-4:H-1:	N[3x5]-4:C[5,6a]-3:S[5]-2:H-1:	N[3x5]-4:C[5]-4:C[5]-3:H-1:	N[3x5](B[5,5]C[5,6a]O[5]O)(C[5,5]C[5,6a]S[5]H)(C[5,5]C[5]2H)(H)	C[5,5](N[3x5]B[5,5]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(S[5]C[5])(H)	C[5,5](N[3x5]B[5,5]C[5,5]H)(C[5]S[5]HH)(C[5]O[5]O)(H)	N[3x5](B[5,5]C[5,6a]O[5]O)(C[5,5]C[5,6a]S[5]H)(C[5,5]C[5]2H)(H){1|O<1>,2|C<3>,2|H<1>}	C[5,5](N[3x5]B[5,5]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(S[5]C[5])(H){2|O<2>,3|C<3>,4|H<1>}	C[5,5](N[3x5]B[5,5]C[5,5]H)(C[5]S[5]HH)(C[5]O[5]O)(H){1|H<1>,1|O<2>,2|C<3>}	112.1115	0.039	2	112.1115	0.002	2	112.1115	0.002	2	112.1115	0.002	2	109.4133	9.712	4	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[3x5]	C[5,5]	C[5,5]	4:4:4:1:	4:3:2:1:	4:4:4:4:	B[5,5]-4:C[5,5]-4:C[5,5]-4:H-1:	N[3x5]-4:C[5,6a]-3:O[5]-2:H-1:	N[3x5]-4:C[5]-4:C[5]-4:C-4:	N[3x5](B[5,5]C[5,6a]O[5]O)(C[5,5]C[5,6a]O[5]H)(C[5,5]C[5]2C)(H)	C[5,5](N[3x5]B[5,5]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)	C[5,5](N[3x5]B[5,5]C[5,5]H)(C[5]O[5]HH)2(CHHO)	N[3x5](B[5,5]C[5,6a]O[5]O)(C[5,5]C[5,6a]O[5]H)(C[5,5]C[5]2C)(H){2|C<3>,4|H<1>}	C[5,5](N[3x5]B[5,5]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[5,5](N[3x5]B[5,5]C[5,5]H)(C[5]O[5]HH)2(CHHO){1|H<1>,1|O<2>,2|C<3>}	106.7930	0.000	1	106.7930	0.000	1	106.7930	0.000	1	106.7930	0.000	1	109.4133	9.712	4	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[3x5]	C[5,5]	C[5,5]	4:4:4:1:	4:3:2:4:	4:4:4:4:	B[5,5]-4:C[5,5]-4:C[5,5]-4:H-1:	N[3x5]-4:C[5,6a]-3:O[5]-2:C-4:	N[3x5]-4:C[5]-4:C[5]-4:C-4:	N[3x5](B[5,5]C[5,6a]O[5]O)(C[5,5]C[5,6a]O[5]C)(C[5,5]C[5]2C)(H)	C[5,5](N[3x5]B[5,5]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CH3)	C[5,5](N[3x5]B[5,5]C[5,5]H)(C[5]O[5]HH)2(CHHO)	N[3x5](B[5,5]C[5,6a]O[5]O)(C[5,5]C[5,6a]O[5]C)(C[5,5]C[5]2C)(H){2|C<3>,4|H<1>}	C[5,5](N[3x5]B[5,5]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CH3){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[5,5](N[3x5]B[5,5]C[5,5]H)(C[5]O[5]HH)2(CHHO){1|C<4>,1|O<2>,2|C<3>}	106.6370	0.000	1	106.6370	0.000	1	106.6370	0.000	1	106.6370	0.000	1	109.4133	9.712	4	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5,3x6]	C[5,6,6]	C[5]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-4:	N[5,3x6]-4:C[5]-4:C[6,6]-4:H-1:	N[5,3x6]-4:C[5]-4:H-1:H-1:	N[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)2(C[5]C[5]HH)	C[5,6,6](N[5,3x6]C[6,6]2C[5])(C[5]C[6a]C[5]H)(C[6,6]C[3x6]HH)(H)	C[5](N[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]HH)(H)2	N[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)2(C[5]C[5]HH){1|C<3>,2|C<4>,8|H<1>}	C[5,6,6](N[5,3x6]C[6,6]2C[5])(C[5]C[6a]C[5]H)(C[6,6]C[3x6]HH)(H){2|C<3>,2|C<4>,9|H<1>}	C[5](N[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,6|H<1>}	101.3580	0.000	1	101.3580	0.000	1	101.3580	0.000	1	101.3580	0.000	1	101.3580	0.000	1	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5,5,6,6]	C[5,5,6]	C[5,6]	4:4:4:4:	4:3:4:4:	4:4:1:1:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:C[6]-4:	N[5,5,6,6]-4:C[5a,6]-3:C[5,5,6]-4:C-4:	N[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	N[5,5,6,6](C[5,5,6]C[5,5,6]C[5a,6]C)(C[5,6]C[5,6]HH)2(C[6]C[6]HH)	C[5,5,6](N[5,5,6,6]C[5,6]2C[6])(C[5a,6]C[5a,6]N[5a])(C[5,5,6]C[5,6]2O)(CH3)	C[5,6](N[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5,5,6]CH)(H)2	N[5,5,6,6](C[5,5,6]C[5,5,6]C[5a,6]C)(C[5,6]C[5,6]HH)2(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,5|H<1>}	C[5,5,6](N[5,5,6,6]C[5,6]2C[6])(C[5a,6]C[5a,6]N[5a])(C[5,5,6]C[5,6]2O)(CH3){10|H<1>,2|C<3>,2|C<4>}	C[5,6](N[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5,5,6]CH)(H)2{1|C<3>,1|O<2>,3|C<4>,4|H<1>}	103.4310	0.000	1	103.4310	0.000	1	103.0480	0.293	2	103.0480	0.293	2	103.0480	0.293	2	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5,5,6,6]	C[5,5,6]	C[5,6]	4:4:4:4:	4:3:4:4:	4:4:1:1:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:C[6]-4:	N[5,5,6,6]-4:C[5a,6]-3:C[5,5,6]-4:C-4:	N[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	N[5,5,6,6](C[5,5,6]C[5,5,6]C[5a,6]C)(C[5,6]C[5,6]HH)2(C[6]C[6]HH)	C[5,5,6](N[5,5,6,6]C[5,6]2C[6])(C[5a,6]C[5a,6]N[5a])(C[5,5,6]C[5,6]2O)(CH3)	C[5,6](N[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5,5,6]HH)(H)2	N[5,5,6,6](C[5,5,6]C[5,5,6]C[5a,6]C)(C[5,6]C[5,6]HH)2(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,5|H<1>}	C[5,5,6](N[5,5,6,6]C[5,6]2C[6])(C[5a,6]C[5a,6]N[5a])(C[5,5,6]C[5,6]2O)(CH3){10|H<1>,2|C<3>,2|C<4>}	C[5,6](N[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,4|H<1>}	102.6650	0.000	1	102.6650	0.000	1	103.0480	0.293	2	103.0480	0.293	2	103.0480	0.293	2	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5,5,6]	C[3x5,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[3x5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:N[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:N[5,5,6]-4:H-1:H-1:	N[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]C[5]HH)(H)	C[3x5,6](C[5,5,6]O[5,6]C[5]H)(N[5,5,6]C[5,6]C[5]H)(C[5,5]C[5,5,6]HN)(H)	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(N[5,5,6]C[3x5,6]C[5]H)(H)2	N[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]C[5]HH)(H){1|N<3>,1|O<2>,5|H<1>}	C[3x5,6](C[5,5,6]O[5,6]C[5]H)(N[5,5,6]C[5,6]C[5]H)(C[5,5]C[5,5,6]HN)(H){7|H<1>}	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(N[5,5,6]C[3x5,6]C[5]H)(H)2{1|N<3>,2|C<4>,4|H<1>}	103.4320	0.000	1	103.4320	0.000	1	103.4320	0.000	1	103.4320	0.000	1	103.4320	0.000	1	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5,5,6]	C[3x5,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[3x5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:N[5,5,6]-4:C[5,5]-4:H-1:	N[5,5,6]-4:C[5]-4:H-1:H-1:	N[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]C[5]HH)(H)	C[3x5,6](C[5,5,6]O[5,6]C[5]H)(N[5,5,6]C[5,6]C[5]H)(C[5,5]C[5,5,6]HN)(H)	C[5](N[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5,5,6]HH)(H)2	N[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]C[5]HH)(H){1|N<3>,1|O<2>,5|H<1>}	C[3x5,6](C[5,5,6]O[5,6]C[5]H)(N[5,5,6]C[5,6]C[5]H)(C[5,5]C[5,5,6]HN)(H){7|H<1>}	C[5](N[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5,5,6]HH)(H)2{1|O<2>,2|C<4>,4|H<1>}	104.6900	0.000	1	104.6900	0.000	1	104.6900	0.000	1	104.6900	0.000	1	105.4765	1.237	2	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5,5,6]	C[3x5,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:3:1:	C[3x5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:N[5,5,6]-4:C[5,5]-4:H-1:	N[5,5,6]-4:C[5]-4:C-3:H-1:	N[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]C[5]CH)(H)	C[3x5,6](C[5,5,6]O[5,6]C[5]H)(N[5,5,6]C[5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H)	C[5](N[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5,5,6]HH)(COO)(H)	N[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]C[5]CH)(H){1|O<2>,6|H<1>}	C[3x5,6](C[5,5,6]O[5,6]C[5]H)(N[5,5,6]C[5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H){1|C<3>,6|H<1>}	C[5](N[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5,5,6]HH)(COO)(H){1|O<2>,2|C<4>,4|H<1>}	106.2630	0.000	1	106.2630	0.000	1	106.2630	0.000	1	106.2630	0.000	1	105.4765	1.237	2	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5,5,6]	C[5,5]	C[5]	5:4:4:4:	4:4:4:1:	4:4:1:1:	In[5,6,6]-5:C[5,5]-4:C[6]-4:C[5]-4:	N[5,5,6]-4:C[5,5]-4:C[5]-4:H-1:	N[5,5,6]-4:C[5]-4:H-1:H-1:	N[5,5,6](In[5,6,6]N[5,5,6]O[6]2Cl)(C[5,5]C[5,5]C[5]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)	C[5,5](N[5,5,6]In[5,6,6]C[5]C[6])(C[5,5]N[5,5,6]C[5]H)(C[5]C[5]HH)(H)	C[5](N[5,5,6]In[5,6,6]C[5,5]C[6])(C[5]C[5]HH)(H)2	N[5,5,6](In[5,6,6]N[5,5,6]O[6]2Cl)(C[5,5]C[5,5]C[5]H)(C[6]C[6,6a]HH)(C[5]C[5]HH){3|C<3>,3|C<4>,5|H<1>}	C[5,5](N[5,5,6]In[5,6,6]C[5]C[6])(C[5,5]N[5,5,6]C[5]H)(C[5]C[5]HH)(H){1|Cl<1>,1|C<3>,2|O<2>,3|C<4>,8|H<1>}	C[5](N[5,5,6]In[5,6,6]C[5,5]C[6])(C[5]C[5]HH)(H)2{1|Cl<1>,1|C<3>,1|C<4>,1|N<4>,2|O<2>,5|H<1>}	105.1125	0.815	2	105.1125	0.665	2	105.1125	0.665	2	105.1125	0.665	2	105.1125	0.665	2	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5,5,6]	C[5,6]	C[5,5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,5]-4:C[5,6]-4:Ga[5,6]-4:C-4:	N[5,5,6]-4:Ga[5,6]-4:H-1:H-1:	N[5,5,6]-4:N[5,5,6]-4:H-1:H-1:	N[5,5,6](C[5,5]N[5,5,6]HH)(C[5,6]Ga[5,6]HH)(Ga[5,6]C[5,6]CC)(CH3)	C[5,6](N[5,5,6]Ga[5,6]C[5,5]C)(Ga[5,6]N[5,5,6]CC)(H)2	C[5,5](N[5,5,6]Ga[5,6]C[5,6]C)2(H)2	N[5,5,6](C[5,5]N[5,5,6]HH)(C[5,6]Ga[5,6]HH)(Ga[5,6]C[5,6]CC)(CH3){2|H<1>,3|C<4>}	C[5,6](N[5,5,6]Ga[5,6]C[5,5]C)(Ga[5,6]N[5,5,6]CC)(H)2{2|H<1>,4|C<4>}	C[5,5](N[5,5,6]Ga[5,6]C[5,6]C)2(H)2{4|C<4>,4|H<1>}	108.4660	0.000	1	108.4660	0.000	1	108.4660	0.000	1	108.4660	0.000	1	108.4660	0.000	1	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5,5,6]	C[5,6]	C[5,6]	3:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,5]-3:C[5,6]-4:C[5,6]-4:B-4:	N[5,5,6]-4:C[5,6]-4:H-1:H-1:	N[5,5,6]-4:C[5,6]-4:H-1:H-1:	N[5,5,6](C[5,5]C[5,5,6]O)(C[5,6]C[5,6]HH)2(BF3)	C[5,6](N[5,5,6]C[5,5]C[5,6]B)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](N[5,5,6]C[5,5]C[5,6]B)(C[5,6]C[5,5,6]HH)(H)2	N[5,5,6](C[5,5]C[5,5,6]O)(C[5,6]C[5,6]HH)2(BF3){5|H<1>}	C[5,6](N[5,5,6]C[5,5]C[5,6]B)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|O<1>,3|H<1>}	C[5,6](N[5,5,6]C[5,5]C[5,6]B)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|O<1>,3|H<1>}	107.9950	0.000	1	107.9950	0.000	1	107.9950	0.000	1	107.9950	0.000	1	107.9950	0.000	1	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5,5,6]	C[5]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5,6]-4:C[5]-4:C[5]-4:	N[5,5,6]-4:C[5]-4:H-1:H-1:	N[5,5,6]-4:C[5]-4:H-1:H-1:	N[5,5,6](C[5,6]C[5]C[6]H)2(C[5]C[5]HH)2	C[5](N[5,5,6]C[5,6]2C[5])(C[5]C[5]HH)(H)2	C[5](N[5,5,6]C[5,6]2C[5])(C[5]C[5]HH)(H)2	N[5,5,6](C[5,6]C[5]C[6]H)2(C[5]C[5]HH)2{12|H<1>,1|C<4>}	C[5](N[5,5,6]C[5,6]2C[5])(C[5]C[5]HH)(H)2{4|C<4>,6|H<1>}	C[5](N[5,5,6]C[5,6]2C[5])(C[5]C[5]HH)(H)2{4|C<4>,6|H<1>}	101.5125	0.655	12	101.5125	0.429	12	101.5125	0.429	12	101.5125	0.429	12	101.5125	0.429	12	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5,6]	C[5,5,6]	4:4:1:1:	3:4:3:3:	3:4:3:1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6a]-3:N[5,5]-4:C[5,6]-3:C-3:	C[5,6,6a]-3:N[5,5]-4:C[5,6]-3:H-1:	N[5,5](C[5,5,6]C[5,6,6a]C[5,6]C)(C[5,5,6]C[5,6,6a]C[5,6]H)(H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(CN[5]O)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	N[5,5](C[5,5,6]C[5,6,6a]C[5,6]C)(C[5,5,6]C[5,6,6a]C[5,6]H)(H)2{2|C<3>,2|H<1>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(CN[5]O){2|C<3>,3|H<1>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){2|H<1>,3|C<3>}	95.7845	0.000	1	95.7845	0.000	1	95.7845	0.000	1	95.7845	0.000	1	94.9632	0.615	8	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5,6]	C[5,5,6]	4:4:1:1:	4:4:4:1:	4:4:4:1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:N[5,5]-4:C[5,6]-4:H-1:	N[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	N[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,6]C[5,6]C[6a]H)(N[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5,6](N[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H)	N[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<3>,7|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6a]H)(N[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){2|C<3>,5|H<1>}	C[5,5,6](N[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H){1|C<3>,4|H<1>}	95.7399	0.000	1	95.7399	0.000	1	95.7399	0.000	1	95.2966	0.368	4	94.9632	0.615	8	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5,6]	C[5,5,6]	4:4:1:1:	4:4:4:1:	4:4:4:1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	N[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	N[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	N[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](N[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H)	C[5,5,6](N[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H)	N[5,5](C[5,5,6]C[5,6]2H)2(H)2{8|H<1>}	C[5,5,6](N[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H){5|H<1>}	C[5,5,6](N[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H){5|H<1>}	95.1489	0.649	3	95.1489	0.421	3	95.1489	0.421	3	95.2966	0.368	4	94.9632	0.615	8	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5,6]	C[5,5,6]	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[5,5,6]-4:C[5,5,6]-4:C-4:H-1:	N[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	N[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	N[5,5](C[5,5,6]C[5,6]2H)2(CCCH)(H)	C[5,5,6](N[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)2(H)	C[5,5,6](N[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)2(H)	N[5,5](C[5,5,6]C[5,6]2H)2(CCCH)(H){8|H<1>}	C[5,5,6](N[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)2(H){5|H<1>}	C[5,5,6](N[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)2(H){5|H<1>}	94.3388	0.000	1	94.3388	0.000	1	94.0131	0.212	2	94.2448	0.267	3	94.9632	0.615	8	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5,6]	C[5,5,6]	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[5,5,6]-4:C[5,5,6]-4:C-4:H-1:	N[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	N[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	N[5,5](C[5,5,6]C[5,6]2H)2(CC[6a]CH)(H)	C[5,5,6](N[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)2(H)	C[5,5,6](N[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)2(H)	N[5,5](C[5,5,6]C[5,6]2H)2(CC[6a]CH)(H){8|H<1>}	C[5,5,6](N[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)2(H){5|H<1>}	C[5,5,6](N[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)2(H){5|H<1>}	93.6874	0.000	1	93.6874	0.000	1	94.0131	0.212	2	94.2448	0.267	3	94.9632	0.615	8	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5,6]	C[5,5,6]	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[5,5,6]-4:C[5,5,6]-4:C[6]-4:H-1:	N[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	N[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	N[5,5](C[5,5,6]C[5,6]2H)2(C[6]C[6]2H)(H)	C[5,5,6](N[5,5]C[5,5,6]C[6]H)(C[5,6]C[5,6]HH)2(H)	C[5,5,6](N[5,5]C[5,5,6]C[6]H)(C[5,6]C[5,6]HH)2(H)	N[5,5](C[5,5,6]C[5,6]2H)2(C[6]C[6]2H)(H){12|H<1>,2|C<4>}	C[5,5,6](N[5,5]C[5,5,6]C[6]H)(C[5,6]C[5,6]HH)2(H){2|C<4>,6|H<1>}	C[5,5,6](N[5,5]C[5,5,6]C[6]H)(C[5,6]C[5,6]HH)2(H){2|C<4>,6|H<1>}	94.7081	0.000	1	94.7081	0.000	1	94.7081	0.000	1	94.2448	0.267	3	94.9632	0.615	8	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5,5]	4:4:4:1:	3:4:4:3:	4:4:4:1:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,6a]-3:N[5,5]-4:C[5]-4:C[5]-3:	N[5,5]-4:C[5]-4:C[5]-4:H-1:	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(C[5]N[5]O)	C[5,5](N[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)(H){1|N<3>,1|O<1>,4|C<3>,6|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(C[5]N[5]O){2|C<4>,3|C<3>,6|H<1>}	C[5,5](N[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H){5|C<3>,5|H<1>}	110.0570	0.042	2	110.0570	0.002	2	110.0570	0.002	2	110.0570	0.002	2	110.0570	0.002	2	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	3:4:4:1:	4:4:4:1:	4:4:1:1:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	N[5,5]-4:C[5]-4:C[5]-4:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	C[5,5](N[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5]CO)(H)	C[5](N[5,5]C[5,6a]C[5,5]H)(C[5]C[5]HH)(H)2	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]HH)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[5,5](N[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5]CO)(H){2|C<3>,4|H<1>}	C[5](N[5,5]C[5,6a]C[5,5]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	107.5830	0.000	1	107.5830	0.000	1	107.5830	0.000	1	107.5830	0.000	1	106.1995	4.340	22	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:1:	3:4:2:1:	4:4:4:1:	C[5,5]-4:B[5]-4:C[5]-4:H-1:	C[5,6a]-3:N[5,5]-4:O[5]-2:H-1:	N[5,5]-4:C[5]-4:C-4:H-1:	N[5,5](C[5,5]C[5,6a]O[5]H)(B[5]C[5,6a]OO)(C[5]C[5]CH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]B[5]C[5]H)(O[5]C[5])(H)	C[5](N[5,5]C[5,5]B[5]H)(C[5]O[5]HH)(CCHH)(H)	N[5,5](C[5,5]C[5,6a]O[5]H)(B[5]C[5,6a]OO)(C[5]C[5]CH)(H){2|C<3>,2|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]B[5]C[5]H)(O[5]C[5])(H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	C[5](N[5,5]C[5,5]B[5]H)(C[5]O[5]HH)(CCHH)(H){1|H<1>,2|C<3>,2|O<2>}	104.8570	0.000	2	104.8570	0.000	2	104.8570	0.000	2	104.8570	0.000	2	106.1995	4.340	22	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:1:	3:4:3:1:	4:4:1:1:	B[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,6a]-3:N[5,5]-4:N[5]-3:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5](B[5,5]C[5,6a]O[5]2)(C[5,5]C[5,6a]N[5]H)(C[5]C[5]HH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]B[5,5]C[5]H)(N[5]C[5]H)(H)	C[5](N[5,5]B[5,5]C[5,5]H)(C[5]N[5]CC)(H)2	N[5,5](B[5,5]C[5,6a]O[5]2)(C[5,5]C[5,6a]N[5]H)(C[5]C[5]HH)(H){1|H<1>,2|C<3>,4|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]B[5,5]C[5]H)(N[5]C[5]H)(H){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[5](N[5,5]B[5,5]C[5,5]H)(C[5]N[5]CC)(H)2{2|C<3>,2|H<1>,2|O<2>}	105.4440	0.000	1	105.4440	0.000	1	104.6440	0.426	4	104.6440	0.426	4	106.1995	4.340	22	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:1:	3:4:3:1:	4:4:1:1:	B[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,6a]-3:N[5,5]-4:N[5]-3:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5](B[5,5]C[5,6a]O[5]2)(C[5,5]C[5,6a]N[5]H)(C[5]C[5]HH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]B[5,5]C[5]H)(N[5]C[5]H)(H)	C[5](N[5,5]B[5,5]C[5,5]H)(C[5]N[5]HH)(H)2	N[5,5](B[5,5]C[5,6a]O[5]2)(C[5,5]C[5,6a]N[5]H)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]B[5,5]C[5]H)(N[5]C[5]H)(H){2|C<3>,2|O<2>,5|H<1>}	C[5](N[5,5]B[5,5]C[5,5]H)(C[5]N[5]HH)(H)2{2|C<3>,2|H<1>,2|O<2>}	104.6280	0.221	2	104.6280	0.049	2	104.6440	0.426	4	104.6440	0.426	4	106.1995	4.340	22	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:1:	3:4:3:1:	4:4:1:1:	B[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,6a]-3:N[5,5]-4:N[5]-3:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5](B[5,5]C[5,6a]O[5]2)(C[5,5]C[5,6a]N[5]H)(C[5]C[5]HH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]B[5,5]C[5]H)(N[5]C[6a]C[5])(H)	C[5](N[5,5]B[5,5]C[5,5]H)(C[5]N[5]HH)(H)2	N[5,5](B[5,5]C[5,6a]O[5]2)(C[5,5]C[5,6a]N[5]H)(C[5]C[5]HH)(H){2|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]B[5,5]C[5]H)(N[5]C[6a]C[5])(H){2|O<2>,4|C<3>,5|H<1>}	C[5](N[5,5]B[5,5]C[5,5]H)(C[5]N[5]HH)(H)2{1|H<1>,2|O<2>,3|C<3>}	103.8760	0.000	1	103.8760	0.000	1	104.6440	0.426	4	104.6440	0.426	4	106.1995	4.340	22	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	B[5,5]-4:C[5,5]-4:C[5]-4:H-1:	N[5,5]-4:C[5]-4:C[5]-4:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5](B[5,5]N[5,5]O[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	C[5,5](N[5,5]B[5,5]C[5]H)(C[5]C[6a]2O[5])(C[5]C[5]HH)(H)	C[5](N[5,5]B[5,5]C[5,5]H)(C[5]C[5]HH)(H)2	N[5,5](B[5,5]N[5,5]O[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)(H){1|B<4>,2|C<3>,3|C<4>,4|H<1>}	C[5,5](N[5,5]B[5,5]C[5]H)(C[5]C[6a]2O[5])(C[5]C[5]HH)(H){1|N<4>,1|O<2>,4|C<3>,4|H<1>}	C[5](N[5,5]B[5,5]C[5,5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|N<4>,2|O<2>,3|H<1>}	107.0020	0.000	1	107.0020	0.000	1	107.0020	0.000	1	107.8855	1.386	8	106.1995	4.340	22	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	N[5,5]-4:C[5]-4:C[5]-4:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	C[5,5](N[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)	C[5](N[5,5]C[5,5]2H)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)(H){1|N<3>,1|O<1>,4|C<3>,6|H<1>}	C[5,5](N[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H){5|C<3>,5|H<1>}	C[5](N[5,5]C[5,5]2H)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	109.1970	0.553	2	109.1970	0.306	2	109.1970	0.306	2	107.8855	1.386	8	106.1995	4.340	22	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:N[5,5]-4:C[5]-4:H-1:	C[5,5]-4:N[5,5]-4:H-1:H-1:	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5]2H)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5,5]C[5]H)(H)2	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]C[5]HH)(H){1|N<3>,2|O<2>,5|H<1>}	C[5,5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5]2H)(C[5]C[5]HH)(H){1|C<4>,1|N<3>,1|O<2>,6|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5,5]C[5]H)(H)2{1|O<2>,3|C<4>,4|H<1>}	105.6570	0.000	1	105.6570	0.000	1	105.6570	0.000	1	107.8855	1.386	8	106.1995	4.340	22	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:N[5,5]-4:C[5]-4:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]CH)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5]2H)(C[5]C[5]HI)(H)	C[5](N[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]CH)(C[5]C[5]HH)(H){1|I<1>,2|O<2>,5|H<1>}	C[5,5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5]2H)(C[5]C[5]HI)(H){1|O<2>,2|C<4>,6|H<1>}	C[5](N[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|I<1>,3|C<4>,3|H<1>}	107.8760	0.000	1	107.8760	0.000	1	107.9610	0.014	2	107.8855	1.386	8	106.1995	4.340	22	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:N[5,5]-4:C[5]-4:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5]2H)(C[5]C[5]HH)(H)	C[5](N[5,5]C[5,5]C[5]H)(C[5]C[5]HN)(H)2	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]C[5]HH)(H){1|N<3>,2|O<2>,5|H<1>}	C[5,5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5]2H)(C[5]C[5]HH)(H){1|C<4>,1|N<3>,1|O<2>,6|H<1>}	C[5](N[5,5]C[5,5]C[5]H)(C[5]C[5]HN)(H)2{2|C<4>,5|H<1>}	108.0460	0.000	1	108.0460	0.000	1	107.9610	0.014	2	107.8855	1.386	8	106.1995	4.340	22	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	N[5,5]-4:C[5]-4:C[5]-4:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)2(H)	C[5,5](N[5,5]C[5]2H)(C[5]C[5]BrH)(C[5]C[5]HN)(H)	C[5](N[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)2(H){1|Br<1>,1|N<2>,1|O<2>,5|H<1>}	C[5,5](N[5,5]C[5]2H)(C[5]C[5]BrH)(C[5]C[5]HN)(H){1|O<2>,7|H<1>}	C[5](N[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|Br<1>,2|C<4>,4|H<1>}	107.8030	0.000	1	107.8030	0.000	1	108.0545	0.127	2	107.8855	1.386	8	106.1995	4.340	22	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	N[5,5]-4:C[5]-4:C[5]-4:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)2(H)	C[5,5](N[5,5]C[5]2H)(C[5]C[5]BrH)(C[5]C[5]HN)(H)	C[5](N[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(H)2	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)2(H){1|Br<1>,1|N<2>,1|O<2>,5|H<1>}	C[5,5](N[5,5]C[5]2H)(C[5]C[5]BrH)(C[5]C[5]HN)(H){1|O<2>,7|H<1>}	C[5](N[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(H)2{1|N<2>,2|C<4>,4|H<1>}	108.3060	0.000	1	108.3060	0.000	1	108.0545	0.127	2	107.8855	1.386	8	106.1995	4.340	22	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:N[5,5]-4:C[5]-4:H-1:	C[5,5]-4:N[5,5]-4:C-4:H-1:	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]CH)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5]2H)(C[5]C[5]HI)(H)	C[5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5,5]C[5]H)(CCHO)(H)	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]CH)(C[5]C[5]HH)(H){1|I<1>,2|O<2>,5|H<1>}	C[5,5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5]2H)(C[5]C[5]HI)(H){1|O<2>,2|C<4>,6|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5,5]C[5]H)(CCHO)(H){1|O<2>,3|C<4>,4|H<1>}	109.1690	0.000	1	109.1690	0.000	1	109.1690	0.000	1	109.1690	0.000	1	106.1995	4.340	22	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:3:	4:4:4:1:	4:4:1:1:	C[5]-4:C[5,5]-4:C[5]-4:C-3:	C[5]-4:N[5,5]-4:C[5]-4:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(CHH)	C[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2C)(C[5]C[5]HH)(H)	C[5](N[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2	N[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(CHH){3|C<3>,7|H<1>}	C[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2C)(C[5]C[5]HH)(H){3|C<3>,7|H<1>}	C[5](N[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	105.7720	0.000	1	105.7720	0.000	1	105.7720	0.000	1	105.7720	0.000	1	106.1995	4.340	22	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:4:	4:4:4:1:	4:4:1:1:	B[5,5]-4:C[5,5]-4:C[5]-4:B-4:	N[5,5]-4:C[5]-4:C[5]-4:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5](B[5,5]N[5,5]O[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)(BH3)	C[5,5](N[5,5]B[5,5]C[5]B)(C[5]C[6a]2O[5])(C[5]C[5]HH)(H)	C[5](N[5,5]B[5,5]C[5,5]B)(C[5]C[5]HH)(H)2	N[5,5](B[5,5]N[5,5]O[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)(BH3){2|C<3>,3|C<4>,5|H<1>}	C[5,5](N[5,5]B[5,5]C[5]B)(C[5]C[6a]2O[5])(C[5]C[5]HH)(H){1|N<4>,1|O<2>,4|C<3>,4|H<1>}	C[5](N[5,5]B[5,5]C[5,5]B)(C[5]C[5]HH)(H)2{1|C<4>,1|N<4>,2|O<2>,3|H<1>}	105.0840	0.000	1	105.0840	0.000	1	105.0840	0.000	1	104.2023	5.968	3	106.1995	4.340	22	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[5,5]-4:C[5]-4:C[5]-4:C-4:	C[5,5]-4:N[5,5]-4:C[5]-4:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]CH)(C[5]C[5]HH)(CC[6a]CH)	C[5,5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5]2C)(C[5]C[5]HI)(H)	C[5](N[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]CH)(C[5]C[5]HH)(CC[6a]CH){1|I<1>,2|O<2>,5|H<1>}	C[5,5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5]2C)(C[5]C[5]HI)(H){1|O<2>,2|C<4>,6|H<1>}	C[5](N[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2{1|I<1>,3|C<4>,3|H<1>}	101.4410	0.000	1	101.4410	0.000	1	101.4410	0.000	1	104.2023	5.968	3	106.1995	4.340	22	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C[5]-4:C[5]-4:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH)	C[5,5](N[5,5]C[5]2C)(C[5]C[5]CC)(C[5]C[5]HH)(H)	C[5](N[5,5]C[5,5]C[5]C)(C[5]C[5]CH)(H)2	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH){1|C<3>,3|C<4>,4|H<1>}	C[5,5](N[5,5]C[5]2C)(C[5]C[5]CC)(C[5]C[5]HH)(H){3|C<4>,5|H<1>}	C[5](N[5,5]C[5,5]C[5]C)(C[5]C[5]CH)(H)2{1|C<3>,2|H<1>,4|C<4>}	106.0820	0.000	1	106.0820	0.000	1	106.0820	0.000	1	104.2023	5.968	3	106.1995	4.340	22	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:4:	4:4:4:1:	4:4:4:1:	C[5,5]-4:C[5]-4:C[5]-4:C-4:	C[5,5]-4:N[5,5]-4:C[5]-4:H-1:	C[5,5]-4:N[5,5]-4:C-4:H-1:	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]CH)(C[5]C[5]HH)(CC[6a]CH)	C[5,5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5]2C)(C[5]C[5]HI)(H)	C[5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5,5]C[5]C)(CCHO)(H)	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]CH)(C[5]C[5]HH)(CC[6a]CH){1|I<1>,2|O<2>,5|H<1>}	C[5,5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5]2C)(C[5]C[5]HI)(H){1|O<2>,2|C<4>,6|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5,5]C[5]C)(CCHO)(H){1|O<2>,3|C<4>,4|H<1>}	106.6950	0.000	1	106.6950	0.000	1	106.6950	0.000	1	104.9420	6.146	2	106.1995	4.340	22	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:4:	4:4:4:1:	4:4:4:1:	C[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C[5]-4:C[5]-4:H-1:	N[5,5]-4:C[5]-4:C-4:H-1:	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH)	C[5,5](N[5,5]C[5]2C)(C[5]C[5]CC)(C[5]C[5]HH)(H)	C[5](N[5,5]C[5,5]C[5]C)(C[5]C[5]CH)(CH3)(H)	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH){1|C<3>,3|C<4>,4|H<1>}	C[5,5](N[5,5]C[5]2C)(C[5]C[5]CC)(C[5]C[5]HH)(H){3|C<4>,5|H<1>}	C[5](N[5,5]C[5,5]C[5]C)(C[5]C[5]CH)(CH3)(H){2|C<4>,5|H<1>}	103.1890	0.000	1	103.1890	0.000	1	103.1890	0.000	1	104.9420	6.146	2	106.1995	4.340	22	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5,5]	C[5]	C[4x5]	4:4:4:4:	4:4:1:1:	4:4:4:4:	C[4x5]-4:C[5]-4:C[5]-4:B-4:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,5]-4:C[5,5]-4:N[5,5]-4:	N[5,5](C[4x5]C[5,5]3)(C[5]C[5]HH)2(BH3)	C[5](N[5,5]C[4x5]C[5]B)(C[5]C[5,5]HH)(H)2	C[4x5](C[5,5]C[5]2H)3(N[5,5]C[5]2B)	N[5,5](C[4x5]C[5,5]3)(C[5]C[5]HH)2(BH3){4|C<4>,7|H<1>}	C[5](N[5,5]C[4x5]C[5]B)(C[5]C[5,5]HH)(H)2{3|H<1>,4|C<4>}	C[4x5](C[5,5]C[5]2H)3(N[5,5]C[5]2B){16|H<1>}	104.8150	1.235	2	104.8150	1.524	2	104.8150	1.524	2	104.8150	1.524	2	104.8150	1.524	2	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5,5]	C[5]	C[5,5]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)2(H)	C[5](N[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](N[5,5]C[5]2H)(C[5]C[5]HH)2(CCHH)	N[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)2(H){8|H<1>}	C[5](N[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{3|C<4>,4|H<1>}	C[5,5](N[5,5]C[5]2H)(C[5]C[5]HH)2(CCHH){8|H<1>}	107.7525	0.634	2	107.7525	0.402	2	107.6237	0.439	10	107.6237	0.439	10	107.1753	1.093	13	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5,5]	C[5]	C[5,5]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)2(H)	C[5](N[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	C[5,5](N[5,5]C[5]2H)(C[5]C[5]HH)2(CHHN)	N[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)2(H){8|H<1>}	C[5](N[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{3|C<4>,4|H<1>}	C[5,5](N[5,5]C[5]2H)(C[5]C[5]HH)2(CHHN){8|H<1>}	107.5915	0.708	8	107.5915	0.501	8	107.6237	0.439	10	107.6237	0.439	10	107.1753	1.093	13	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5,5]	C[5]	C[5,5]	4:4:4:3:	4:3:4:1:	4:4:4:1:	C[5]-4:C[5,5]-4:C[5]-4:C-3:	N[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5,5]-4:C[5]-4:H-1:	N[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(CHH)	C[5](N[5,5]C[5,5]C[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2C)(C[5]C[5]HH)(H)	N[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(CHH){3|C<3>,7|H<1>}	C[5](N[5,5]C[5,5]C[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|C<4>,3|C<3>,6|H<1>}	C[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2C)(C[5]C[5]HH)(H){3|C<3>,7|H<1>}	105.6310	0.000	1	105.6310	0.000	1	105.6310	0.000	1	105.6310	0.000	1	107.1753	1.093	13	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5,5]	C[5]	C[5,5]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,5]-4:C[5]-4:C[5]-4:B-4:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:C[5]-4:C[5]-4:H-1:	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)2(BH3)	C[5](N[5,5]C[5,5]C[5]B)(C[5]C[5]HH)(H)2	C[5,5](N[5,5]C[5]2B)(C[5]C[5]HO)2(H)	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)2(BH3){3|O<2>,5|H<1>}	C[5](N[5,5]C[5,5]C[5]B)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,4|H<1>}	C[5,5](N[5,5]C[5]2B)(C[5]C[5]HO)2(H){1|O<2>,7|H<1>}	105.2350	0.000	1	105.2350	0.000	1	105.7055	0.443	2	105.7055	0.443	2	107.1753	1.093	13	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5,5]	C[5]	C[5,5]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5,5]-4:C[5]-4:C[5]-4:B-4:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:C[5]-4:C[5]-4:H-1:	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)2(BH3)	C[5](N[5,5]C[5,5]C[5]B)(C[5]C[5]HO)(H)2	C[5,5](N[5,5]C[5]2B)(C[5]C[5]HO)2(H)	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)2(BH3){3|O<2>,5|H<1>}	C[5](N[5,5]C[5,5]C[5]B)(C[5]C[5]HO)(H)2{1|O<2>,2|C<4>,4|H<1>}	C[5,5](N[5,5]C[5]2B)(C[5]C[5]HO)2(H){1|O<2>,7|H<1>}	106.1760	0.000	1	106.1760	0.000	1	105.7055	0.443	2	105.7055	0.443	2	107.1753	1.093	13	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	4:4:4:4:	3:4:1:1:	3:4:1:1:	C[5]-4:C[5]-4:C[5]-4:C[5]-4:	C[5,6a]-3:N[5,5]-4:H-1:H-1:	C[5,6a]-3:N[5,5]-4:H-1:H-1:	N[5,5](C[5]C[5,6a]HH)2(C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]3)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]3)(H)2	N[5,5](C[5]C[5,6a]HH)2(C[5]C[5]CH)(C[5]C[5]HH){2|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]3)(H)2{2|C<4>,3|C<3>,6|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]3)(H)2{2|C<4>,3|C<3>,6|H<1>}	104.6470	0.000	1	104.6470	0.000	1	104.6470	0.000	1	104.6470	0.000	1	103.4599	5.856	42	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:C[5]-4:C[5]-4:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5](C[5]C[5]HH)4	C[5](N[5,5]C[5]3)(C[5]C[5]HH)(H)2	C[5](N[5,5]C[5]3)(C[5]C[5]HH)(H)2	N[5,5](C[5]C[5]HH)4{8|H<1>}	C[5](N[5,5]C[5]3)(C[5]C[5]HH)(H)2{2|C<4>,8|H<1>}	C[5](N[5,5]C[5]3)(C[5]C[5]HH)(H)2{2|C<4>,8|H<1>}	102.9003	1.164	38	102.9003	1.356	38	102.9003	1.356	38	102.9003	1.356	38	103.4599	5.856	42	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	4:4:4:4:	4:4:3:1:	4:4:1:1:	C[5]-4:C[5]-4:C[5]-4:C[5]-4:	N[5,5]-4:C[5]-4:C-3:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5](C[5]C[5,6a]HH)2(C[5]C[5]CH)(C[5]C[5]HH)	C[5](N[5,5]C[5]3)(C[5]C[5]HH)(CNO)(H)	C[5](N[5,5]C[5]3)(C[5]C[5]HH)(H)2	N[5,5](C[5]C[5,6a]HH)2(C[5]C[5]CH)(C[5]C[5]HH){2|C<3>,4|H<1>}	C[5](N[5,5]C[5]3)(C[5]C[5]HH)(CNO)(H){2|C<3>,8|H<1>}	C[5](N[5,5]C[5]3)(C[5]C[5]HH)(H)2{3|C<3>,7|H<1>}	105.0360	0.000	1	105.0360	0.000	1	105.0360	0.000	1	105.0360	0.000	1	103.4599	5.856	42	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	6:4:4:1:	4:3:1:1:	4:3:1:1:	In[5,5]-6:C[5]-4:C[5]-4:H-1:	N[5,5]-4:C[5,6]-3:H-1:H-1:	N[5,5]-4:C[5,6]-3:H-1:H-1:	N[5,5](In[5,5]N[5,6]2Br3)(C[5]C[5,6]HH)2(H)	C[5](N[5,5]In[5,5]C[5]H)(C[5,6]N[5,6]C[6])(H)2	C[5](N[5,5]In[5,5]C[5]H)(C[5,6]N[5,6]C[6])(H)2	N[5,5](In[5,5]N[5,6]2Br3)(C[5]C[5,6]HH)2(H){4|C<3>}	C[5](N[5,5]In[5,5]C[5]H)(C[5,6]N[5,6]C[6])(H)2{3|Br<1>,1|N<3>,3|C<3>,3|H<1>}	C[5](N[5,5]In[5,5]C[5]H)(C[5,6]N[5,6]C[6])(H)2{3|Br<1>,1|N<3>,3|C<3>,3|H<1>}	113.9340	0.000	1	113.9340	0.000	1	113.9340	0.000	1	113.9340	0.000	1	103.4599	5.856	42	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	6:4:4:4:	4:4:1:1:	4:4:1:1:	Si[3x5]-6:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5](Si[3x5]N[5,5]2F3)(C[5]C[5]HH)2(CH3)	C[5](N[5,5]Si[3x5]C[5]C)(C[5]N[5,5]HH)(H)2	C[5](N[5,5]Si[3x5]C[5]C)(C[5]N[5,5]HH)(H)2	N[5,5](Si[3x5]N[5,5]2F3)(C[5]C[5]HH)2(CH3){4|C<4>,4|H<1>}	C[5](N[5,5]Si[3x5]C[5]C)(C[5]N[5,5]HH)(H)2{1|N<4>,2|H<1>,3|C<4>,3|F<1>}	C[5](N[5,5]Si[3x5]C[5]C)(C[5]N[5,5]HH)(H)2{1|N<4>,2|H<1>,3|C<4>,3|F<1>}	111.4870	0.000	1	111.4870	0.000	1	111.4870	0.000	1	111.4870	0.000	1	103.4599	5.856	42	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5,6,6]	C[5,5,6,6]	C[5,3x6]	4:4:4:1:	4:3:4:4:	4:4:4:1:	C[5,5,6,6]-4:C[5,3x6]-4:C[6]-4:H-1:	N[5,6,6]-4:C[5,6,6]-3:C[6,6]-4:C[5,5,6]-4:	N[5,6,6]-4:C[3x6]-4:C[5,6]-4:H-1:	N[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]C[6,6])(C[5,3x6]C[3x6]C[5,6]H)(C[6]C[6]CH)(H)	C[5,5,6,6](N[5,6,6]C[5,3x6]C[6]H)(C[5,6,6]C[5,6,6]C[6])(C[6,6]C[6,6]C[6]H)(C[5,5,6]C[5,6]2H)	C[5,3x6](N[5,6,6]C[5,5,6,6]C[6]H)(C[3x6]C[5,6,6]C[6]H)(C[5,6]C[5,5,6]HH)(H)	N[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]C[6,6])(C[5,3x6]C[3x6]C[5,6]H)(C[6]C[6]CH)(H){1|C<3>,5|C<4>,7|H<1>}	C[5,5,6,6](N[5,6,6]C[5,3x6]C[6]H)(C[5,6,6]C[5,6,6]C[6])(C[6,6]C[6,6]C[6]H)(C[5,5,6]C[5,6]2H){1|C<3>,1|O<2>,6|C<4>,9|H<1>}	C[5,3x6](N[5,6,6]C[5,5,6,6]C[6]H)(C[3x6]C[5,6,6]C[6]H)(C[5,6]C[5,5,6]HH)(H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	101.0510	0.000	1	100.6615	0.303	2	100.6615	0.303	2	100.6615	0.303	2	100.6615	0.303	2	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5,6,6]	C[5,5,6,6]	C[5,3x6]	4:4:4:1:	4:3:4:4:	4:4:4:1:	C[5,5,6,6]-4:C[5,3x6]-4:C[6]-4:H-1:	N[5,6,6]-4:C[5,6,6]-3:C[6,6]-4:C[5,5,6]-4:	N[5,6,6]-4:C[3x6]-4:C[5,6]-4:H-1:	N[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]C[6,6])(C[5,3x6]C[3x6]C[5,6]H)(C[6]C[6]CH)(H)	C[5,5,6,6](N[5,6,6]C[5,3x6]C[6]H)(C[5,6,6]C[5,6,6]C[6])(C[6,6]C[6,6]C[6]H)(C[5,5,6]C[5,6]2H)	C[5,3x6](N[5,6,6]C[5,5,6,6]C[6]H)(C[3x6]C[5,6,6]C[6]H)(C[5,6]C[5,5,6]HH)(H)	N[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]C[6,6])(C[5,3x6]C[3x6]C[5,6]H)(C[6]C[6]CH)(H){1|C<3>,5|C<4>,7|H<1>}	C[5,5,6,6](N[5,6,6]C[5,3x6]C[6]H)(C[5,6,6]C[5,6,6]C[6])(C[6,6]C[6,6]C[6]H)(C[5,5,6]C[5,6]2H){1|O<2>,2|C<3>,5|C<4>,9|H<1>}	C[5,3x6](N[5,6,6]C[5,5,6,6]C[6]H)(C[3x6]C[5,6,6]C[6]H)(C[5,6]C[5,5,6]HH)(H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	100.2720	0.000	1	100.6615	0.303	2	100.6615	0.303	2	100.6615	0.303	2	100.6615	0.303	2	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5,6,6]	C[5,6]	C[5,6,6]	4:4:4:1:	4:4:3:1:	4:4:4:1:	C[5,6,6]-4:C[5,6]-4:C[6,6]-4:H-1:	N[5,6,6]-4:C[5,6]-4:C[6,6a]-3:H-1:	N[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	N[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,6]C[6,6a]C[5,6]H)(C[6,6]C[6,6]HH)(H)	C[5,6](N[5,6,6]C[5,6,6]C[6,6]H)(C[5,6]C[5,6,6]C[6]H)(C[6,6a]C[6,6a]N[6a])(H)	C[5,6,6](N[5,6,6]C[5,6]C[6,6]H)(C[5,6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	N[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,6]C[6,6a]C[5,6]H)(C[6,6]C[6,6]HH)(H){1|C<3>,1|N<2>,3|C<4>,5|H<1>}	C[5,6](N[5,6,6]C[5,6,6]C[6,6]H)(C[5,6]C[5,6,6]C[6]H)(C[6,6a]C[6,6a]N[6a])(H){2|C<3>,4|C<4>,6|H<1>}	C[5,6,6](N[5,6,6]C[5,6]C[6,6]H)(C[5,6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,8|H<1>}	105.7430	0.000	1	105.7430	0.000	1	105.7430	0.000	1	105.7430	0.000	1	105.7430	0.000	1	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5,6,6]	C[5]	C[5,3x6]	4:4:4:4:	4:4:1:1:	4:4:3:1:	C[5,3x6]-4:C[5]-4:C[6]-4:C[6]-4:	N[5,6,6]-4:C[5]-4:H-1:H-1:	N[5,6,6]-4:N[5,6,6]-4:N[6,6]-3:H-1:	N[5,6,6](C[5,3x6]N[5,6,6]N[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)2	C[5](N[5,6,6]C[5,3x6]C[6]2)(C[5]N[5,6,6]HH)(H)2	C[5,3x6](N[5,6,6]C[5]C[6]2)2(N[6,6]C[6]2)(H)	N[5,6,6](C[5,3x6]N[5,6,6]N[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)2{4|C<4>,6|H<1>}	C[5](N[5,6,6]C[5,3x6]C[6]2)(C[5]N[5,6,6]HH)(H)2{1|N<3>,4|C<4>,5|H<1>}	C[5,3x6](N[5,6,6]C[5]C[6]2)2(N[6,6]C[6]2)(H){16|H<1>,3|C<4>}	103.1103	0.279	4	103.1103	0.078	4	103.1103	0.078	4	103.1103	0.078	4	103.1103	0.078	4	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,3x6]	C[5]	4:4:4:1:	4:4:3:4:	4:4:1:1:	C[5,3x6]-4:C[5]-4:C[6]-4:H-1:	C[3x6]-4:N[5,6]-4:C[5,6]-3:C[6]-4:	N[5,6]-4:C[5]-4:H-1:H-1:	N[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,3x6](C[3x6]C[6,6]C[6]H)(N[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)	C[5](N[5,6]C[5,3x6]C[6]H)(C[5]C[5,6]HH)(H)2	N[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,7|H<1>}	C[5,3x6](C[3x6]C[6,6]C[6]H)(N[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(C[6]C[6]HH){10|H<1>,1|C<3>,1|O<2>,3|C<4>}	C[5](N[5,6]C[5,3x6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	104.5800	0.000	1	104.5800	0.000	1	104.5800	0.000	1	104.5800	0.000	1	104.8300	0.125	2	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,3x6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5,3x6]-4:C[5]-4:C[6]-4:H-1:	C[5,5,6,6]-4:N[5,6]-4:C[3x6]-4:H-1:	C[5,6]-4:N[5,6]-4:H-1:H-1:	N[5,6](C[5,3x6]C[5,5,6,6]C[3x6]H)(C[5]C[5,6]HH)(C[6]C[6]HH)(H)	C[5,3x6](C[5,5,6,6]C[5,6a]C[5,6]2)(N[5,6]C[5]C[6]H)(C[3x6]C[6]3)(H)	C[5](C[5,6]C[5,5,6,6]C[6]H)(N[5,6]C[5,3x6]C[6]H)(H)2	N[5,6](C[5,3x6]C[5,5,6,6]C[3x6]H)(C[5]C[5,6]HH)(C[6]C[6]HH)(H){2|C<3>,3|H<1>,4|C<4>}	C[5,3x6](C[5,5,6,6]C[5,6a]C[5,6]2)(N[5,6]C[5]C[6]H)(C[3x6]C[6]3)(H){11|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[5](C[5,6]C[5,5,6,6]C[6]H)(N[5,6]C[5,3x6]C[6]H)(H)2{1|C<3>,1|O<1>,3|H<1>,4|C<4>}	105.0800	0.000	1	105.0800	0.000	1	105.0800	0.000	1	105.0800	0.000	1	104.8300	0.125	2	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,5,6]	C[5]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[5,5,6]-4:C[6,6]-4:C[5]-4:C-4:	N[5,6]-4:C[5,6]-4:C[5,5]-4:H-1:	N[5,6]-4:C[5]-4:H-1:H-1:	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CH3)	C[5,5,6](N[5,6]C[6,6]C[5]C)(C[5,6]C[5]C[6]C)(C[5,5]C[5]2H)(H)	C[5](N[5,6]C[5,5,6]C[6,6]C)(C[5]C[5,5]CH)(H)2	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CH3){1|C<3>,3|H<1>,7|C<4>}	C[5,5,6](N[5,6]C[6,6]C[5]C)(C[5,6]C[5]C[6]C)(C[5,5]C[5]2H)(H){1|C<3>,1|O<2>,3|C<4>,8|H<1>}	C[5](N[5,6]C[5,5,6]C[6,6]C)(C[5]C[5,5]CH)(H)2{1|C<3>,3|C<4>,3|H<1>}	105.2220	0.000	1	105.2220	0.000	1	105.2220	0.000	1	105.2220	0.000	1	105.2220	0.000	1	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6,6]	C[5]	4:4:4:1:	4:4:3:1:	4:4:1:1:	C[5,6,6]-4:C[6]-4:C[5]-4:O-1:	C[6,6]-4:N[5,6]-4:C[5,6]-3:H-1:	N[5,6]-4:C[5]-4:H-1:H-1:	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(O)	C[5,6,6](C[6,6]C[6,6a]C[6]H)(N[5,6]C[5]C[6]O)(C[5,6]C[5]C[6])(H)	C[5](N[5,6]C[5,6,6]C[6]O)(C[5]C[5,6]HH)(H)2	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(O){1|C<4>,3|C<3>,3|H<1>}	C[5,6,6](C[6,6]C[6,6a]C[6]H)(N[5,6]C[5]C[6]O)(C[5,6]C[5]C[6])(H){1|C<4>,1|O<2>,2|C<3>,8|H<1>}	C[5](N[5,6]C[5,6,6]C[6]O)(C[5]C[5,6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	101.6900	0.000	1	101.6900	0.000	1	101.6900	0.000	1	101.6900	0.000	1	106.9657	3.007	61	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6,6]	C[5]	4:4:4:1:	4:4:3:4:	4:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:C[3x6]-4:N[5,6]-3:C-4:	N[5,6]-4:C[5]-4:H-1:H-1:	N[5,6](C[5,6,6]C[3x6]N[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6,6](N[5,6]C[5]C[6]H)(C[3x6]N[6,6]2C)(N[5,6]C[5]C[6])(CH3)	C[5](N[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]CH)(H)2	N[5,6](C[5,6,6]C[3x6]N[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|N<3>,1|N<4>,3|C<4>,3|H<1>}	C[5,6,6](N[5,6]C[5]C[6]H)(C[3x6]N[6,6]2C)(N[5,6]C[5]C[6])(CH3){5|C<4>,8|H<1>}	C[5](N[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]CH)(H)2{2|H<1>,4|C<4>}	102.6940	0.000	1	102.6940	0.000	1	102.6940	0.000	1	102.6940	0.000	1	106.9657	3.007	61	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5,6]-4:N[5,6]-4:C[6,6]-4:H-1:	N[5,6]-4:C[5]-4:H-1:H-1:	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5,6]C[5]C[6]H)(C[6,6]C[6,6]HH)(H)	C[5](N[5,6]C[5,6,6]C[6]H)(C[5]C[5,5,6]HH)(H)2	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5,6]C[5]C[6]H)(C[6,6]C[6,6]HH)(H){1|C<4>,1|N<3>,3|C<3>,8|H<1>}	C[5](N[5,6]C[5,6,6]C[6]H)(C[5]C[5,5,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	107.5450	0.635	53	107.5450	0.403	53	107.5450	0.403	53	107.4231	0.661	56	106.9657	3.007	61	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5,6,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6,6]-4:N[5,6]-4:C[6]-4:H-1:	N[5,6]-4:C[5]-4:H-1:H-1:	N[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H)	C[5,6,6](C[5,6,6]C[6,6a]C[5]C[6])(N[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[5](N[5,6]C[5,6,6]C[6]H)(C[5]C[5,6,6]HH)(H)2	N[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[6,6a]C[5]C[6])(N[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){10|H<1>,1|C<4>,2|C<3>}	C[5](N[5,6]C[5,6,6]C[6]H)(C[5]C[5,6,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	105.1210	0.000	1	105.1210	0.000	1	105.2697	0.331	3	107.4231	0.661	56	106.9657	3.007	61	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5,6,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6,6]-4:N[5,6]-4:C[6]-4:H-1:	N[5,6]-4:C[5]-4:H-1:H-1:	N[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H)	C[5,6,6](C[5,6,6]C[6,6a]C[5]C[6])(N[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[5](N[5,6]C[5,6,6]C[6]H)(C[5]C[5,6,6]HO)(H)2	N[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5,6,6](C[5,6,6]C[6,6a]C[5]C[6])(N[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){2|O<2>,3|C<3>,7|H<1>}	C[5](N[5,6]C[5,6,6]C[6]H)(C[5]C[5,6,6]HO)(H)2{1|C<4>,3|C<3>,3|H<1>}	105.3440	0.793	2	105.3440	0.629	2	105.2697	0.331	3	107.4231	0.661	56	106.9657	3.007	61	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6,6]	C[5]	4:4:4:4:	4:4:3:1:	4:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6,6]-4:N[5,6]-4:N[5,6]-3:H-1:	N[5,6]-4:C[5]-4:H-1:H-1:	N[5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CC[6a]HH)	C[5,6,6](C[5,6,6]N[5,6]2H)(N[5,6]C[5]C[6]C)(N[5,6]C[5]C[6])(H)	C[5](N[5,6]C[5,6,6]C[6]C)(C[5]N[5,6]HH)(H)2	N[5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|N<3>,1|N<4>,5|H<1>}	C[5,6,6](C[5,6,6]N[5,6]2H)(N[5,6]C[5]C[6]C)(N[5,6]C[5]C[6])(H){5|C<4>,8|H<1>}	C[5](N[5,6]C[5,6,6]C[6]C)(C[5]N[5,6]HH)(H)2{3|C<4>,3|H<1>}	101.4980	0.389	2	101.6087	0.112	3	101.6087	0.112	3	101.6087	0.112	3	106.9657	3.007	61	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6,6]	C[5]	4:4:4:4:	4:4:3:1:	4:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6,6]-4:N[5,6]-4:N[5,6]-3:H-1:	N[5,6]-4:C[5]-4:H-1:H-1:	N[5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CC[6a]HH)	C[5,6,6](C[5,6,6]N[5,6]2H)(N[5,6]C[5]C[6]C)(N[5,6]C[5]C[6])(H)	C[5](N[5,6]C[5,6,6]C[6]C)(C[5]N[5,6]HH)(H)2	N[5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,2|N<3>,5|H<1>}	C[5,6,6](C[5,6,6]N[5,6]2H)(N[5,6]C[5]C[6]C)(N[5,6]C[5]C[6])(H){4|C<4>,8|H<1>}	C[5](N[5,6]C[5,6,6]C[6]C)(C[5]N[5,6]HH)(H)2{3|C<4>,3|H<1>}	101.8300	0.000	1	101.6087	0.112	3	101.6087	0.112	3	101.6087	0.112	3	106.9657	3.007	61	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[5,6]-4:C[5,6]-4:C-4:H-1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6](C[5,6]C[5]C[6]H)2(CH3)(H)	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]HI)(H)	N[5,6](C[5,6]C[5]C[6]H)2(CH3)(H){1|C<3>,1|C<4>,1|I<1>,6|H<1>}	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<2>,4|H<1>}	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]HI)(H){1|C<4>,1|O<2>,4|H<1>}	100.9910	0.000	1	100.9910	0.000	1	100.9910	0.000	1	100.9910	0.000	1	100.4910	0.175	4	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:4:4:1:	C[5,6]-4:C[5,6]-4:C-4:C-4:	C[3,5]-4:N[5,6]-4:C[6]-4:H-1:	C[3,5]-4:N[5,6]-4:C[6]-4:H-1:	N[5,6](C[5,6]C[3,5]C[6]H)2(CCHH)(CH3)	C[5,6](C[3,5]C[3,5]O[3]H)(N[5,6]C[5,6]CC)(C[6]C[6]HH)(H)	C[5,6](C[3,5]C[3,5]O[3]H)(N[5,6]C[5,6]CC)(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[3,5]C[6]H)2(CCHH)(CH3){1|C<4>,1|O<2>,6|H<1>}	C[5,6](C[3,5]C[3,5]O[3]H)(N[5,6]C[5,6]CC)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|H<1>}	C[5,6](C[3,5]C[3,5]O[3]H)(N[5,6]C[5,6]CC)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|H<1>}	100.3243	0.310	3	100.3243	0.096	3	100.3243	0.096	3	100.3243	0.096	3	100.4910	0.175	4	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:4:1:	3:4:4:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6,6a]-3:N[5,6]-4:C[5]-4:H-1:	N[5,6]-4:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(H)	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(H){2|C<4>,4|C<3>,6|H<1>}	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2{1|C<4>,2|C<3>,4|H<1>}	105.2890	0.000	1	105.2890	0.000	1	105.2890	0.000	1	105.2890	0.000	1	103.7838	2.947	21	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:4:1:	4:3:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:N[5,6]-3:H-1:H-1:	N[5,6]-4:C[5]-4:H-1:H-1:	N[5,6](C[5,6]N[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](N[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(H)2	C[5](N[5,6]C[5,6]C[6]H)(C[5]N[5,6]HH)(H)2	N[5,6](C[5,6]N[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,4|H<1>}	C[5,6](N[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(H)2{1|C<4>,8|H<1>}	C[5](N[5,6]C[5,6]C[6]H)(C[5]N[5,6]HH)(H)2{2|C<4>,4|H<1>}	102.0585	0.646	6	102.0585	0.418	6	102.0585	0.418	6	102.0585	0.418	6	103.7838	2.947	21	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|C<4>,8|H<1>}	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,5|H<1>}	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{3|H<1>,4|C<4>}	104.7520	0.000	1	104.7520	0.000	1	104.0060	2.636	8	104.0060	2.636	8	103.7838	2.947	21	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(H)	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|C<4>,2|O<2>,6|H<1>}	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(H){2|O<2>,3|C<4>,4|H<1>}	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2{1|O<2>,2|H<1>,4|C<4>}	106.2950	0.000	1	106.2950	0.000	1	104.0060	2.636	8	104.0060	2.636	8	103.7838	2.947	21	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H){2|C<4>,7|H<1>}	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H){2|C<4>,7|H<1>}	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{3|C<4>,4|H<1>}	103.5060	0.000	1	103.5060	0.000	1	104.0060	2.636	8	104.0060	2.636	8	103.7838	2.947	21	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<4>,8|H<1>}	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){2|C<4>,7|H<1>}	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{3|C<4>,4|H<1>}	101.2780	0.000	1	101.2780	0.000	1	104.0060	2.636	8	104.0060	2.636	8	103.7838	2.947	21	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){3|C<4>,6|H<1>}	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){2|C<4>,7|H<1>}	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2{2|C<4>,5|H<1>}	102.5670	0.000	1	102.5670	0.000	1	104.0060	2.636	8	104.0060	2.636	8	103.7838	2.947	21	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]O[6]HH)(H)	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,7|H<1>}	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]O[6]HH)(H){1|C<4>,6|H<1>}	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	103.3940	0.000	1	103.3940	0.000	1	104.0060	2.636	8	104.0060	2.636	8	103.7838	2.947	21	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HO)(H)	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,3|O<2>,5|H<1>}	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HO)(H){1|C<4>,1|O<2>,7|H<1>}	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2{1|O<2>,2|C<4>,4|H<1>}	105.1280	0.000	2	105.1280	0.000	2	104.0060	2.636	8	104.0060	2.636	8	103.7838	2.947	21	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:C[5]-4:C-4:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]CH)(H)	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(H)	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CHHO)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]CH)(H){1|C<4>,2|O<2>,6|H<1>}	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,5|H<1>}	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CHHO)(H){1|O<2>,3|C<4>,3|H<1>}	105.6270	0.000	1	105.6270	0.000	1	105.1875	1.419	4	105.1875	1.419	4	103.7838	2.947	21	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:C[5]-4:C-4:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<4>,8|H<1>}	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){3|C<4>,6|H<1>}	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(H){2|C<4>,5|H<1>}	106.6510	0.000	1	106.6510	0.000	1	105.1875	1.419	4	105.1875	1.419	4	103.7838	2.947	21	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:C[5]-4:C-4:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H)	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCHH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,7|H<1>}	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,7|H<1>}	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCHH)(H){1|C<3>,2|C<4>,4|H<1>}	104.2360	0.334	2	104.2360	0.111	2	105.1875	1.419	4	105.1875	1.419	4	103.7838	2.947	21	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:4:1:	4:4:4:4:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:C[5]-4:C[6]-4:C-4:	N[5,6]-4:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]O[6]HH)(CCHH)	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2	N[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,7|H<1>}	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]O[6]HH)(CCHH){2|C<4>,5|H<1>}	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2{3|C<4>,4|H<1>}	106.0420	0.000	1	106.0420	0.000	1	106.0420	0.000	1	106.0420	0.000	1	103.7838	2.947	21	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C[5,6](N[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HO)(H)	C[5](N[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,6|H<1>}	C[5,6](N[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HO)(H){1|C<4>,1|O<2>,7|H<1>}	C[5](N[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	102.9790	0.000	1	102.9790	0.000	1	102.9790	0.000	1	102.9790	0.000	1	103.7838	2.947	21	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5,6]	C[5]	C[5]	3:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6a]-3:C[6]-4:C[5]-4:C[5]-4:	N[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-4:C[5]-4:H-1:H-1:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[6]B[5,6]FF)(C[5]C[5]HH)2	C[5](N[5,6]C[6,6a]C[5]C[6])(C[5]C[5]HH)(H)2	C[5](N[5,6]C[6,6a]C[5]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[6,6a]C[6,6a]C[6a])(C[6]B[5,6]FF)(C[5]C[5]HH)2{2|C<3>,3|O<2>,5|H<1>}	C[5](N[5,6]C[6,6a]C[5]C[6])(C[5]C[5]HH)(H)2{1|B<4>,2|C<3>,2|F<1>,4|H<1>}	C[5](N[5,6]C[6,6a]C[5]C[6])(C[5]C[5]HH)(H)2{1|B<4>,2|C<3>,2|F<1>,4|H<1>}	105.3330	0.000	1	105.3330	0.000	1	105.3330	0.000	1	105.3330	0.000	1	104.2566	1.044	9	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5,6]	C[5]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	N[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-4:C[5]-4:H-1:H-1:	N[5,6](C[5]C[5]HH)2(C[6]C[6]HH)2	C[5](N[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	C[5](N[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	N[5,6](C[5]C[5]HH)2(C[6]C[6]HH)2{1|C<4>,8|H<1>}	C[5](N[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{2|C<4>,8|H<1>}	C[5](N[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{2|C<4>,8|H<1>}	102.8870	0.000	1	103.6772	0.965	5	103.6772	0.965	5	103.9468	1.208	6	104.2566	1.044	9	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5,6]	C[5]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	N[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-4:C[5]-4:H-1:H-1:	N[5,6](C[5]C[5]HH)2(C[6]C[6]HH)2	C[5](N[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	C[5](N[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	N[5,6](C[5]C[5]HH)2(C[6]C[6]HH)2{1|N<4>,8|H<1>}	C[5](N[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{2|C<4>,8|H<1>}	C[5](N[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{2|C<4>,8|H<1>}	103.8748	1.013	4	103.6772	0.965	5	103.6772	0.965	5	103.9468	1.208	6	104.2566	1.044	9	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5,6]	C[5]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:B[6]-4:C[5]-4:C[5]-4:	N[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-4:C[5]-4:H-1:H-1:	N[5,6](C[6]C[6,6a]HH)(B[6]N[6]FF)(C[5]C[5]HH)2	C[5](N[5,6]B[6]C[5]C[6])(C[5]C[5]HH)(H)2	C[5](N[5,6]B[6]C[5]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[6]C[6,6a]HH)(B[6]N[6]FF)(C[5]C[5]HH)2{3|C<3>,4|H<1>}	C[5](N[5,6]B[6]C[5]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,2|F<1>,6|H<1>}	C[5](N[5,6]B[6]C[5]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,2|F<1>,6|H<1>}	105.2950	0.000	1	105.2950	0.000	1	105.2950	0.000	1	103.9468	1.208	6	104.2566	1.044	9	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5,6]	C[5]	C[5]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6]-4:Ga[6]-4:C[5]-4:C[5]-4:	N[5,6]-4:C[5]-4:C[5]-4:H-1:	N[5,6]-4:C[5]-4:H-1:H-1:	N[5,6](C[6]C[6,6a]HH)(Ga[6]O[6]ClO)(C[5]C[5]2H)(C[5]C[5]HH)	C[5](N[5,6]Ga[6]C[5]C[6])(C[5]C[5]N[5]H)(C[5]C[5]HH)(H)	C[5](N[5,6]Ga[6]C[5]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[6]C[6,6a]HH)(Ga[6]O[6]ClO)(C[5]C[5]2H)(C[5]C[5]HH){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[5](N[5,6]Ga[6]C[5]C[6])(C[5]C[5]N[5]H)(C[5]C[5]HH)(H){1|Cl<1>,1|C<3>,2|O<2>,3|C<4>,8|H<1>}	C[5](N[5,6]Ga[6]C[5]C[6])(C[5]C[5]HH)(H)2{1|Cl<1>,1|C<3>,1|C<4>,2|O<2>,5|H<1>}	105.0160	0.000	1	105.0160	0.000	1	105.0160	0.000	1	104.6475	0.272	2	104.2566	1.044	9	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5,6]	C[5]	C[5]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6]-4:In[6]-4:C[5]-4:C[5]-4:	N[5,6]-4:C[5]-4:C[5]-4:H-1:	N[5,6]-4:C[5]-4:H-1:H-1:	N[5,6](C[6]C[6,6a]HH)(In[6]O[6]IO)(C[5]C[5]2H)(C[5]C[5]HH)	C[5](N[5,6]In[6]C[5]C[6])(C[5]C[5]N[5]H)(C[5]C[5]HH)(H)	C[5](N[5,6]In[6]C[5]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[6]C[6,6a]HH)(In[6]O[6]IO)(C[5]C[5]2H)(C[5]C[5]HH){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[5](N[5,6]In[6]C[5]C[6])(C[5]C[5]N[5]H)(C[5]C[5]HH)(H){1|C<3>,1|I<1>,2|O<2>,3|C<4>,8|H<1>}	C[5](N[5,6]In[6]C[5]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|I<1>,2|O<2>,5|H<1>}	104.2790	0.000	1	104.2790	0.000	1	104.2790	0.000	1	104.6475	0.272	2	104.2566	1.044	9	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:1:1:	4:4:4:4:	4:4:1:1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:N[5]-4:C-4:	C[5]-4:N[5]-4:H-1:H-1:	N[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(N[5]C[5]HH)(CCHH)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]HH)(H)2	N[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(N[5]C[5]HH)(CCHH){8|H<1>}	C[5](C[5]C[5,5]HH)(N[5]C[5,5]HH)(H)2{1|H<1>,3|C<4>}	106.5640	0.000	1	106.5640	0.000	1	106.5640	0.000	1	106.5640	0.000	1	104.6203	9.612	8	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:1:	3:4:4:1:	4:4:1:1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,6]-3:C[5,5]-4:N[5]-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5](C[5,5]C[5,5]C[5,6]H)(C[5]C[5]HH)(CH3)(H)	C[5,5](C[5,6]C[5,6]C[6])(C[5,5]C[5]2H)(N[5]C[5]CH)(H)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]CH)(H)2	N[5](C[5,5]C[5,5]C[5,6]H)(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,5](C[5,6]C[5,6]C[6])(C[5,5]C[5]2H)(N[5]C[5]CH)(H){1|C<3>,1|N<3>,7|H<1>}	C[5](C[5]C[5,5]HH)(N[5]C[5,5]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	105.0540	0.000	1	105.0540	0.000	1	105.0540	0.000	1	105.0540	0.000	1	104.6203	9.612	8	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:1:	4:3:4:3:	4:4:1:1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[3,5]-4:C[5,6a]-3:N[5]-4:C[5]-3:	C[3,5]-4:N[5]-4:H-1:H-1:	N[5](C[5,5]C[5,6a]C[3,5]C[5])(C[5]C[3,5]HH)(CH3)(H)	C[5,5](C[3,5]C[3,5]C[6a]C[3])(C[5,6a]C[5,6a]C[6a])(N[5]C[5]CH)(C[5]N[5]O)	C[5](C[3,5]C[3,5]C[6a]C[3])(N[5]C[5,5]CH)(H)2	N[5](C[5,5]C[5,6a]C[3,5]C[5])(C[5]C[3,5]HH)(CH3)(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>}	C[5,5](C[3,5]C[3,5]C[6a]C[3])(C[5,6a]C[5,6a]C[6a])(N[5]C[5]CH)(C[5]N[5]O){1|C<4>,4|H<1>,6|C<3>}	C[5](C[3,5]C[3,5]C[6a]C[3])(N[5]C[5,5]CH)(H)2{1|H<1>,6|C<3>}	108.8210	0.000	1	108.8210	0.000	1	108.8210	0.000	1	108.8210	0.000	1	104.6203	9.612	8	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:1:	4:4:4:4:	4:4:1:1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C[5]-4:N[5]-4:	N[5]-4:C[5]-4:H-1:H-1:	N[5](C[5,5]C[5]3)(C[5]C[5]HH)(CCHH)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]HH)2(N[5]C[5]CH)	C[5](N[5]C[5,5]CH)(C[5]C[5]HH)(H)2	N[5](C[5,5]C[5]3)(C[5]C[5]HH)(CCHH)(H){1|C<4>,2|C<3>,7|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]HH)2(N[5]C[5]CH){1|O<1>,2|C<3>,6|H<1>}	C[5](N[5]C[5,5]CH)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	102.9800	0.000	1	102.9800	0.000	1	102.9800	0.000	1	102.9800	0.000	1	104.6203	9.612	8	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:2:	4:3:4:1:	4:4:1:1:	C[5,5]-4:C[5]-4:C-4:O-2:	C[5,5]-4:N[5]-3:N[5]-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(CH3)(OH)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]CO)(H)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]CO)(H)2	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(CH3)(OH){2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]CO)(H){2|C<3>,4|H<1>}	C[5](C[5]C[5,5]HH)(N[5]C[5,5]CO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	106.2785	1.204	2	106.2785	1.450	2	106.2785	1.450	2	106.2785	1.450	2	104.6203	9.612	8	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:2:	4:4:4:1:	4:4:3:1:	C[5,5]-4:C[5]-4:C-4:O-2:	C[5,5]-4:C[5]-4:N[5]-4:H-1:	C[5]-4:N[5]-4:C-3:H-1:	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(CCHH)(OCo)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(N[5]C[5]CO)(H)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]CO)(CNO)(H)	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(CCHH)(OCo){2|C<4>,5|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(N[5]C[5]CO)(H){1|C<3>,7|H<1>}	C[5](C[5]C[5,5]HH)(N[5]C[5,5]CO)(CNO)(H){2|C<4>,2|H<1>}	100.4931	1.401	2	100.4931	1.964	2	100.4931	1.964	2	100.4931	1.964	2	104.6203	9.612	8	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:1:1:	3:4:3:4:	4:4:3:1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:N[5]-4:	C[5]-4:N[5]-4:C-3:H-1:	N[5](C[5,6]C[6,6a]C[5,6]C[6a])(C[5]C[5]CH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(N[5]C[5]HH)	C[5](C[5]C[5,6]CH)(N[5]C[5,6]HH)(COO)(H)	N[5](C[5,6]C[6,6a]C[5,6]C[6a])(C[5]C[5]CH)(H)2{1|C<4>,2|H<1>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(N[5]C[5]HH){1|C<4>,1|O<1>,1|O<2>,5|C<3>,5|H<1>}	C[5](C[5]C[5,6]CH)(N[5]C[5,6]HH)(COO)(H){1|H<1>,3|C<3>}	108.5530	0.000	1	108.5530	0.000	1	108.5530	0.000	1	108.5530	0.000	1	106.0563	2.640	18	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:1:1:	4:4:4:1:	4:3:3:1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-4:H-1:	N[5]-4:N[5]-3:C-3:H-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]HH)(H)	C[5](N[5]C[5,6]HH)(N[5]C[5,6]H)(COO)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CH)(H)2{2|C<4>,4|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]HH)(H){1|C<3>,1|C<4>,6|H<1>}	C[5](N[5]C[5,6]HH)(N[5]C[5,6]H)(COO)(H){2|C<4>,2|H<1>}	105.1720	0.000	1	105.1720	0.000	1	105.1720	0.000	1	105.1720	0.000	1	106.0563	2.640	18	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:1:1:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:N[5]-4:H-1:	C[5,5]-4:N[5]-4:H-1:H-1:	N[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(N[5]C[5]HH)(H)	C[5](C[5,5]C[5,5,6]N[5]C)(N[5]C[5,6]HH)(H)2	N[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(N[5]C[5]HH)(H){1|C<4>,2|C<3>,2|N<2>,4|H<1>}	C[5](C[5,5]C[5,5,6]N[5]C)(N[5]C[5,6]HH)(H)2{1|N<2>,2|C<4>,2|H<1>}	106.7650	0.352	4	106.7650	0.124	4	106.7650	0.124	4	106.7650	0.124	4	106.0563	2.640	18	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:1:1:	4:4:4:4:	4:4:1:1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-4:C-4:	C[5]-4:N[5]-4:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]HH)(CCHH)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]HH)(H)2	N[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]HH)(CCHH){1|C<4>,8|H<1>}	C[5](C[5]C[5,6]HH)(N[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	108.7940	0.000	1	108.7940	0.000	1	108.7940	0.000	1	107.1940	5.120	2	106.0563	2.640	18	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:1:1:	4:4:4:4:	4:4:1:1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:N[5]-4:	N[5]-4:C[5]-4:H-1:H-1:	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[6]S[6]HH)(N[5]C[5]HH)	C[5](N[5]C[5,6]HH)(C[5]C[5]HH)(H)2	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{1|C<4>,1|S<4>,8|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[6]S[6]HH)(N[5]C[5]HH){1|C<4>,2|O<1>,6|H<1>}	C[5](N[5]C[5,6]HH)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	105.5940	0.000	1	105.5940	0.000	1	105.5940	0.000	1	107.1940	5.120	2	106.0563	2.640	18	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:4:1:	3:4:4:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-3:C[6]-4:N[5]-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CC[6a]CH)(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]CH)(H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]CH)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CC[6a]CH)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]CH)(H){1|C<4>,7|H<1>}	C[5](C[5]C[5,6]HH)(N[5]C[5,6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	106.7810	0.000	1	106.7810	0.000	1	106.7810	0.000	1	106.7810	0.000	1	106.0563	2.640	18	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:4:1:	4:3:4:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[6,6]-4:C[5,6]-3:N[5]-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CH3)(H)	C[5,6](C[6,6]C[6,6a]C[6,6]H)(C[5,6]C[5]C[6])(N[5]C[5]CH)(H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]CH)(H)2	N[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CH3)(H){1|C<2>,1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[6,6]C[6,6a]C[6,6]H)(C[5,6]C[5]C[6])(N[5]C[5]CH)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[5](C[5]C[5,6]HH)(N[5]C[5,6]CH)(H)2{1|C<2>,1|C<4>,1|H<1>}	104.2060	0.000	1	104.2060	0.000	1	104.2060	0.000	1	104.2060	0.000	1	106.0563	2.640	18	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:4:1:	4:3:4:4:	4:4:1:1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:N[5]-4:	C[5]-4:N[5]-4:H-1:H-1:	N[5](C[5,6]C[5,6]C[6a]C[6])(C[5]C[5]HH)(CCHH)(H)	C[5,6](C[5,6]C[5]C[6]S)(C[6a]C[6a]2)(C[6]C[6]HH)(N[5]C[5]CH)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]CH)(H)2	N[5](C[5,6]C[5,6]C[6a]C[6])(C[5]C[5]HH)(CCHH)(H){1|C<4>,1|S<4>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]S)(C[6a]C[6a]2)(C[6]C[6]HH)(N[5]C[5]CH){1|C<4>,3|C<3>,8|H<1>}	C[5](C[5]C[5,6]HH)(N[5]C[5,6]CH)(H)2{1|C<4>,1|S<4>,2|C<3>}	108.0230	0.000	1	108.0230	0.000	1	108.0230	0.000	1	108.0230	0.000	1	106.0563	2.640	18	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6,6]-4:C[6]-4:N[5]-4:H-1:	C[5,6]-4:N[5]-4:H-1:H-1:	N[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(CH3)(H)	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[6]C[6]HH)(N[5]C[5]CH)(H)	C[5](C[5,6]C[5,6,6]O[6]O)(N[5]C[5,6]CH)(H)2	N[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(CH3)(H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[6]C[6]HH)(N[5]C[5]CH)(H){3|C<3>,3|O<2>,4|H<1>}	C[5](C[5,6]C[5,6,6]O[6]O)(N[5]C[5,6]CH)(H)2{1|H<1>,2|C<3>,2|C<4>}	107.3870	0.000	1	107.3870	0.000	1	107.3870	0.000	1	105.0425	3.057	4	106.0563	2.640	18	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[6]-4:N[5]-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CC[6a]HH)(H)	C[5,6](C[5,6]C[5]C[6]Br)(C[6]C[6]HH)(N[5]C[5]CH)(H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]CH)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CC[6a]HH)(H){1|Br<1>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]Br)(C[6]C[6]HH)(N[5]C[5]CH)(H){1|C<4>,8|H<1>}	C[5](C[5]C[5,6]HH)(N[5]C[5,6]CH)(H)2{1|Br<1>,1|H<1>,2|C<4>}	105.2730	0.000	1	105.2730	0.000	1	104.7095	0.635	2	105.0425	3.057	4	106.0563	2.640	18	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[6]-4:N[5]-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(H)	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]ClH)(N[5]C[5]CH)(H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]CH)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(H){1|Cl<1>,1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]ClH)(N[5]C[5]CH)(H){1|C<4>,2|C<3>,8|H<1>}	C[5](C[5]C[5,6]HH)(N[5]C[5,6]CH)(H)2{1|C<3>,1|H<1>,2|C<4>}	104.1460	0.000	1	104.1460	0.000	1	104.7095	0.635	2	105.0425	3.057	4	106.0563	2.640	18	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[6,6]-4:C[5,6]-4:N[5]-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CH3)(H)	C[5,6](C[6,6]C[6,6a]C[6,6]H)(C[5,6]C[5]C[6]H)(N[5]C[5]CH)(H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]CH)(H)2	N[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CH3)(H){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[6,6]C[6,6a]C[6,6]H)(C[5,6]C[5]C[6]H)(N[5]C[5]CH)(H){1|C<4>,1|O<2>,2|C<3>,7|H<1>}	C[5](C[5]C[5,6]HH)(N[5]C[5,6]CH)(H)2{2|C<4>,2|H<1>}	103.3640	0.000	1	103.3640	0.000	1	103.3640	0.000	1	105.0425	3.057	4	106.0563	2.640	18	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[6]-4:N[5]-4:H-1:	C[5]-4:N[5]-4:C-4:H-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(CCHH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CC)(N[5]C[5]CH)(H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]CH)(CHHO)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(CCHH)(H){3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CC)(N[5]C[5]CH)(H){2|C<4>,7|H<1>}	C[5](C[5]C[5,6]HH)(N[5]C[5,6]CH)(CHHO)(H){2|C<4>,2|H<1>}	106.1950	0.000	1	106.1950	0.000	1	106.1950	0.000	1	106.1950	0.000	1	106.0563	2.640	18	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:4:4:	4:3:4:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C-4:C-4:	C[5,6]-4:C[6]-3:N[5]-4:H-1:	N[5]-4:C[5]-3:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCHH)(CH3)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,5,6]O)(N[5]C[5]CC)(H)	C[5](N[5]C[5,6]CC)(C[5]C[5,6]C)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCHH)(CH3){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,5,6]O)(N[5]C[5]CC)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](N[5]C[5,6]CC)(C[5]C[5,6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	104.2330	0.000	2	104.2330	0.000	2	104.2330	0.000	2	104.2330	0.000	2	106.0563	2.640	18	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:1:	3:4:1:1:	3:4:1:1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5a]-3:N[5]-4:H-1:H-1:	C[5,5a]-3:N[5]-4:H-1:H-1:	N[5](C[5]C[5,5a]HH)2(H)2	C[5](C[5,5a]C[5,5a]N[5a])(N[5]C[5]HH)(H)2	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]HH)(H)2	N[5](C[5]C[5,5a]HH)2(H)2{1|C<3>,1|N<3>}	C[5](C[5,5a]C[5,5a]N[5a])(N[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]HH)(H)2{1|N<3>,2|H<1>,2|N<2>}	111.9580	0.000	1	111.9580	0.000	1	111.9580	0.000	1	111.9580	0.000	1	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:1:	3:4:3:4:	4:3:4:1:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:N[5]-4:N[5]-3:C-4:	N[5]-4:C[5]-3:C-4:H-1:	N[5](C[5]C[6a]N[5]C)(C[5]C[5]CH)(H)2	C[5](C[6a]C[6a]2)(N[5]C[5]HH)(N[5]C[5]C)(CH3)	C[5](N[5]C[5]HH)(C[5]N[5]O)(CC[6a]HH)(H)	N[5](C[5]C[6a]N[5]C)(C[5]C[5]CH)(H)2{1|C<4>,1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]HH)(N[5]C[5]C)(CH3){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5](N[5]C[5]HH)(C[5]N[5]O)(CC[6a]HH)(H){1|C<3>,2|C<4>}	106.0740	0.000	1	106.0740	0.000	1	106.0740	0.000	1	106.0740	0.000	1	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:1:	3:4:4:1:	4:4:1:1:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)(N[5]C[5]HH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>,4|H<1>}	C[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)(N[5]C[5]HH)(H){2|C<3>,5|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	109.3500	0.000	1	109.3500	0.000	1	109.3500	0.000	1	109.3500	0.000	1	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:1:	3:4:4:1:	4:4:3:1:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-4:H-1:	C[5]-4:N[5]-4:C-3:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]HH)(H)	C[5](C[5]C[5]CH)(N[5]C[5]HH)(COO)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)2{2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]HH)(H){4|C<3>,4|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]HH)(COO)(H){2|C<3>,2|H<1>}	110.0900	0.000	1	110.0900	0.000	1	110.0900	0.000	1	110.0900	0.000	1	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:1:	3:4:4:1:	4:4:4:1:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-4:H-1:	C[5]-4:N[5]-4:C-4:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]HH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CH3)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)2{2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]HH)(H){1|C<4>,2|C<3>,5|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CH3)(H){1|C<3>,3|H<1>}	107.2400	0.000	1	107.2400	0.000	1	107.4837	0.910	3	107.4837	0.910	3	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:1:	3:4:4:1:	4:4:4:1:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-4:H-1:	C[5]-4:N[5]-4:C-4:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]HH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CHHO)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)2{2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]HH)(H){1|C<4>,1|O<1>,2|N<3>,4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CHHO)(H){1|C<3>,3|H<1>}	106.6750	0.000	1	106.6750	0.000	1	107.4837	0.910	3	107.4837	0.910	3	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:1:	3:4:4:1:	4:4:4:1:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-4:H-1:	C[5]-4:N[5]-4:C-4:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]HH)(H)	C[5](C[5]C[5]CH)(N[5]C[5]HH)(CH3)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]HH)(CH3)(H){1|C<3>,1|O<2>,2|H<1>}	108.5360	0.000	1	108.5360	0.000	1	107.4837	0.910	3	107.4837	0.910	3	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:1:	3:4:4:4:	3:4:4:4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:N[5]-4:C-4:C-4:	C[5,6a]-3:N[5]-4:C-4:C-4:	N[5](C[5]C[5,6a]CC)2(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]HH)(CCHH)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]HH)(CCHH)2	N[5](C[5]C[5,6a]CC)2(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]HH)(CCHH)2{1|H<1>,2|C<3>,2|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]HH)(CCHH)2{1|H<1>,2|C<3>,2|C<4>}	110.5940	0.000	1	110.5940	0.000	1	110.5940	0.000	1	110.5940	0.000	1	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:1:	4:2:1:1:	4:4:3:1:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5]-4:C-3:H-1:	N[5](C[5]C[5]CH)(C[5]S[5]HH)(H)2	C[5](N[5]C[5]HH)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]HH)(COO)(H)	N[5](C[5]C[5]CH)(C[5]S[5]HH)(H)2{2|H<1>}	C[5](N[5]C[5]HH)(S[5]C[5])(H)2{1|C<3>,3|H<1>}	C[5](C[5]S[5]HH)(N[5]C[5]HH)(COO)(H){2|H<1>}	111.5580	0.000	1	111.5580	0.000	1	111.5580	0.000	1	111.5580	0.000	1	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:1:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-3:H-1:H-1:	N[5]-4:C[5]-3:H-1:H-1:	N[5](C[5]C[5]HH)2(H)2	C[5](N[5]C[5]HH)(C[5]C[5]H)(H)2	C[5](N[5]C[5]HH)(C[5]C[5]H)(H)2	N[5](C[5]C[5]HH)2(H)2{2|H<1>}	C[5](N[5]C[5]HH)(C[5]C[5]H)(H)2{3|H<1>}	C[5](N[5]C[5]HH)(C[5]C[5]H)(H)2{3|H<1>}	107.9020	0.000	1	107.9020	0.000	1	107.9020	0.000	1	107.9020	0.000	1	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:1:	4:3:4:1:	4:3:3:1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:N[5]-4:H-1:	N[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]N[5]CH)(H)2	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]HH)(H)	C[5](N[5]C[5]HH)(N[5]C[5]H)(COO)(H)	N[5](C[5]C[6a]C[5]H)(C[5]N[5]CH)(H)2{2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]HH)(H){4|H<1>,5|C<3>}	C[5](N[5]C[5]HH)(N[5]C[5]H)(COO)(H){2|C<3>,2|H<1>}	106.5010	0.000	1	106.5010	0.000	1	106.5010	0.000	1	106.5010	0.000	1	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:1:	4:3:4:1:	4:3:4:1:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-3:C-4:H-1:	N[5]-4:C[5]-3:C-4:H-1:	N[5](C[5]C[5]CH)2(H)2	C[5](N[5]C[5]HH)(C[5]C[5]H)(CHHO)(H)	C[5](N[5]C[5]HH)(C[5]C[5]H)(CHHO)(H)	N[5](C[5]C[5]CH)2(H)2{2|H<1>}	C[5](N[5]C[5]HH)(C[5]C[5]H)(CHHO)(H){1|C<4>,2|H<1>}	C[5](N[5]C[5]HH)(C[5]C[5]H)(CHHO)(H){1|C<4>,2|H<1>}	108.7330	0.000	1	108.7330	0.000	1	108.7330	0.000	1	108.7330	0.000	1	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:1:	4:3:4:1:	4:4:4:3:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[6a]-3:N[5]-4:H-1:	C[5,5]-4:N[5]-4:C-4:C-3:	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CC)(H)2	C[5](C[5,5]C[5,6a]C[5,5]N)(C[6a]C[6a]2)(N[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]N[5]H)(N[5]C[5]HH)(CH3)(COO)	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CC)(H)2{1|H<1>,2|N<3>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]N)(C[6a]C[6a]2)(N[5]C[5]HH)(H){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[5](C[5,5]C[5,5]N[5]H)(N[5]C[5]HH)(CH3)(COO){1|H<1>,1|N<3>,1|S<4>,3|C<3>}	109.2790	0.000	1	109.2790	0.000	1	109.2790	0.000	1	109.2790	0.000	1	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:1:	4:3:4:4:	4:3:4:1:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:N[5]-3:C-4:C-4:	N[5]-4:C[5]-3:C-4:H-1:	N[5](C[5]C[5]CH)(C[5]N[5]CC)(H)2	C[5](N[5]C[5]HH)(N[5]C[5]C)(CH3)2	C[5](N[5]C[5]HH)(C[5]N[5]O)(CCHH)(H)	N[5](C[5]C[5]CH)(C[5]N[5]CC)(H)2{1|C<4>,1|O<1>}	C[5](N[5]C[5]HH)(N[5]C[5]C)(CH3)2{1|C<4>,1|H<1>,1|O<1>}	C[5](N[5]C[5]HH)(C[5]N[5]O)(CCHH)(H){3|C<4>}	107.8460	0.000	1	107.8460	0.000	1	107.1757	0.785	11	107.1757	0.785	11	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:1:	4:3:4:4:	4:3:4:1:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:N[5]-3:C-4:C-4:	N[5]-4:C[5]-3:C-4:H-1:	N[5](C[5]C[5]CH)(C[5]N[5]CC)(H)2	C[5](N[5]C[5]HH)(N[5]C[5]C)(CH3)2	C[5](N[5]C[5]HH)(C[5]N[5]O)(CC[6a]HH)(H)	N[5](C[5]C[5]CH)(C[5]N[5]CC)(H)2{1|C<4>,1|O<1>}	C[5](N[5]C[5]HH)(N[5]C[5]C)(CH3)2{1|C<4>,1|H<1>,1|O<1>}	C[5](N[5]C[5]HH)(C[5]N[5]O)(CC[6a]HH)(H){3|C<4>}	107.1087	0.904	10	107.1087	0.817	10	107.1757	0.785	11	107.1757	0.785	11	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:1:	4:4:1:1:	4:3:4:1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:C[5]-3:C-4:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2	C[5](N[5]C[5]HH)(C[5]C[5]C)(CCHH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](N[5]C[5]HH)(C[5]C[5]C)(CCHH)(H){4|H<1>}	106.3230	0.000	1	106.3230	0.000	1	106.3230	0.000	1	106.3230	0.000	1	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:N[5]-4:H-1:H-1:	C[3,5]-4:N[5]-4:H-1:H-1:	N[5](C[5]C[3,5]HH)2(H)2	C[5](C[3,5]C[3,5]C[6a]C[3])(N[5]C[5]HH)(H)2	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]HH)(H)2	N[5](C[5]C[3,5]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[3,5]C[3,5]C[6a]C[3])(N[5]C[5]HH)(H)2{2|C<3>,5|H<1>}	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]HH)(H)2{1|C<3>,4|H<1>}	107.4390	0.000	1	107.4390	0.000	1	107.4390	0.000	1	108.1480	8.132	43	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:H-1:H-1:	C[3x5]-4:N[5]-4:H-1:H-1:	C[3x5]-4:N[5]-4:H-1:H-1:	N[5](C[5]C[3x5]HH)2(H)2	C[5](C[3x5]C[3x5]C[5]2)(N[5]C[5]HH)(H)2	C[5](C[3x5]C[3x5]C[5]2)(N[5]C[5]HH)(H)2	N[5](C[5]C[3x5]HH)2(H)2{4|C<4>}	C[5](C[3x5]C[3x5]C[5]2)(N[5]C[5]HH)(H)2{1|N<4>,1|O<2>,2|C<4>,6|H<1>}	C[5](C[3x5]C[3x5]C[5]2)(N[5]C[5]HH)(H)2{1|N<4>,1|O<2>,2|C<4>,6|H<1>}	105.6650	0.071	2	105.4937	0.091	3	105.4937	0.091	3	108.1480	8.132	43	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:H-1:H-1:	C[3x5]-4:N[5]-4:H-1:H-1:	C[3x5]-4:N[5]-4:H-1:H-1:	N[5](C[5]C[3x5]HH)2(H)2	C[5](C[3x5]C[3x5]C[5]2)(N[5]C[5]HH)(H)2	C[5](C[3x5]C[3x5]C[5]2)(N[5]C[5]HH)(H)2	N[5](C[5]C[3x5]HH)2(H)2{4|C<4>}	C[5](C[3x5]C[3x5]C[5]2)(N[5]C[5]HH)(H)2{1|O<2>,3|C<4>,6|H<1>}	C[5](C[3x5]C[3x5]C[5]2)(N[5]C[5]HH)(H)2{1|O<2>,3|C<4>,6|H<1>}	105.1510	0.000	1	105.4937	0.091	3	105.4937	0.091	3	108.1480	8.132	43	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:H-1:H-1:	C[4,5,5]-4:N[5]-4:H-1:H-1:	C[4,5,5]-4:N[5]-4:H-1:H-1:	N[5](C[5]C[4,5,5]HH)2(H)2	C[5](C[4,5,5]C[4,5,5]C[4]C[5])(N[5]C[5]HH)(H)2	C[5](C[4,5,5]C[4,5,5]C[4]C[5])(N[5]C[5]HH)(H)2	N[5](C[5]C[4,5,5]HH)2(H)2{4|C<4>}	C[5](C[4,5,5]C[4,5,5]C[4]C[5])(N[5]C[5]HH)(H)2{1|O<2>,2|C<4>,6|H<1>}	C[5](C[4,5,5]C[4,5,5]C[4]C[5])(N[5]C[5]HH)(H)2{1|O<2>,2|C<4>,6|H<1>}	106.5790	0.000	1	106.5790	0.000	1	106.5790	0.000	1	108.1480	8.132	43	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:N[5]-4:H-1:H-1:	C[5,5,6]-4:N[5]-4:H-1:H-1:	N[5](C[5]C[5,5,6]HH)2(H)2	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(N[5]C[5]HH)(H)2	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(N[5]C[5]HH)(H)2	N[5](C[5]C[5,5,6]HH)2(H)2{4|C<4>}	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(N[5]C[5]HH)(H)2{1|O<2>,3|C<4>,6|H<1>}	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(N[5]C[5]HH)(H)2{1|O<2>,3|C<4>,6|H<1>}	109.3780	1.059	2	109.3780	1.122	2	109.3780	1.122	2	108.1480	8.132	43	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:N[5]-4:H-1:H-1:	C[5,5]-4:N[5]-4:H-1:H-1:	N[5](C[5]C[5,5]HH)2(H)2	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]HH)(H)2	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]HH)(H)2	N[5](C[5]C[5,5]HH)2(H)2{2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]HH)(H)2{1|C<4>,1|O<2>,5|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]HH)(H)2{1|C<4>,1|O<2>,5|H<1>}	104.1000	0.000	1	104.1000	0.000	1	104.1000	0.000	1	108.1480	8.132	43	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:N[5]-4:H-1:H-1:	C[5,6]-4:N[5]-4:H-1:H-1:	N[5](C[5]C[5,6]HH)2(H)2	C[5](C[5,6]C[5,6]N[5,6]H)(N[5]C[5]HH)(H)2	C[5](C[5,6]C[5,6]O[6]H)(N[5]C[5]HH)(H)2	N[5](C[5]C[5,6]HH)2(H)2{1|N<3>,1|O<2>,2|H<1>}	C[5](C[5,6]C[5,6]N[5,6]H)(N[5]C[5]HH)(H)2{1|C<3>,1|N<2>,1|O<2>,3|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(N[5]C[5]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	109.7120	0.000	1	109.7120	0.000	1	109.7120	0.000	1	108.1480	8.132	43	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[5,5]-4:N[5]-4:H-1:H-1:	N[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(N[5]C[5]HH)(H)2	C[5](C[5,5]C[5]2O[5])(N[5]C[5]HH)(H)2	N[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5,5]HH)(N[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5]2O[5])(N[5]C[5]HH)(H)2{2|C<4>,6|H<1>}	107.1750	0.000	1	107.1750	0.000	1	107.1750	0.000	1	108.1480	8.132	43	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]CH)(N[5]C[5]HH)(H)2	C[5](C[5]C[5]CO)(N[5]C[5]HH)(H)2	N[5](C[5]C[5]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5]CH)(N[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CO)(N[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	108.0750	0.000	1	108.0750	0.000	1	108.4885	9.047	33	108.1480	8.132	43	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2	C[5](C[5]C[5]FH)(N[5]C[5]HH)(H)2	N[5](C[5]C[5]HH)2(H)2{1|F<1>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2{1|F<1>,3|H<1>}	C[5](C[5]C[5]FH)(N[5]C[5]HH)(H)2{4|H<1>}	109.0623	1.254	4	109.0623	1.572	4	108.4885	9.047	33	108.1480	8.132	43	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2	N[5](C[5]C[5]HH)2(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2{4|H<1>}	108.6357	3.362	24	108.6357	11.305	24	108.4885	9.047	33	108.1480	8.132	43	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2	C[5](C[5]C[5]HN)(N[5]C[5]HH)(H)2	N[5](C[5]C[5]HH)2(H)2{1|N<4>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2{1|N<4>,3|H<1>}	C[5](C[5]C[5]HN)(N[5]C[5]HH)(H)2{4|H<1>}	107.1350	2.269	4	107.1350	5.148	4	108.4885	9.047	33	108.1480	8.132	43	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:1:	4:4:1:1:	4:4:3:1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C-3:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]2H)(N[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(COO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]2H)(N[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(COO)(H){1|C<4>,3|H<1>}	108.4565	0.392	2	108.4565	0.154	2	107.7928	0.834	61	107.7928	0.834	61	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:1:	4:4:1:1:	4:4:3:1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C-3:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CH)(N[5]C[5]HH)(H)2	C[5](C[5]C[5]CH)(N[5]C[5]HH)(COO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]HH)(COO)(H){1|C<3>,3|H<1>}	109.0970	0.000	1	109.0970	0.000	1	107.7928	0.834	61	107.7928	0.834	61	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:1:	4:4:1:1:	4:4:3:1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C-3:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2	C[5](C[5]C[5]CH)(N[5]C[5]HH)(COO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]HH)(COO)(H){4|H<1>}	107.9190	0.000	1	107.9190	0.000	1	107.7928	0.834	61	107.7928	0.834	61	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:1:	4:4:1:1:	4:4:3:1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C-3:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CClO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CClO)(H){4|H<1>}	108.7907	0.552	3	108.7907	0.304	3	107.7928	0.834	61	107.7928	0.834	61	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:1:	4:4:1:1:	4:4:3:1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C-3:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CNO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CNO)(H){4|H<1>}	107.7539	1.026	7	107.7539	1.052	7	107.7928	0.834	61	107.7928	0.834	61	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:1:	4:4:1:1:	4:4:3:1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C-3:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CNS)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CNS)(H){4|H<1>}	107.4980	0.000	1	107.4980	0.000	1	107.7928	0.834	61	107.7928	0.834	61	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:1:	4:4:1:1:	4:4:3:1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C-3:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(COO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(COO)(H){4|H<1>}	107.6801	0.903	46	107.6801	0.816	46	107.7928	0.834	61	107.7928	0.834	61	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C-4:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CCHH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CCHH)(H){4|H<1>}	107.8760	0.000	1	107.8760	0.000	1	107.7659	0.616	9	107.7659	0.616	9	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C-4:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CH3)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CH3)(H){4|H<1>}	108.1875	0.933	2	108.1875	0.870	2	107.7659	0.616	9	107.7659	0.616	9	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C-4:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CHHO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CHHO)(H){4|H<1>}	107.5557	1.297	3	107.5557	1.683	3	107.7659	0.616	9	107.7659	0.616	9	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C-4:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CHHS)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CHHS)(H){4|H<1>}	107.6583	0.281	3	107.6583	0.079	3	107.7659	0.616	9	107.7659	0.616	9	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:1:	4:4:1:1:	4:4:4:3:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C-4:C-3:	N[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CC[6a]HH)(COO)	N[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CC[6a]HH)(COO){4|H<1>}	107.5203	1.042	3	107.5203	1.086	3	107.6102	0.756	4	107.6102	0.756	4	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:1:	4:4:1:1:	4:4:4:3:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C-4:C-3:	N[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CF3)(CNO)	N[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CF3)(CNO){4|H<1>}	107.8800	0.000	1	107.8800	0.000	1	107.6102	0.756	4	107.6102	0.756	4	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:1:	4:4:1:1:	4:4:4:4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:N[5]-4:P-4:P-4:	N[5](C[5]C[5]HH)(C[5]C[5]PP)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(PO3)2	N[5](C[5]C[5]HH)(C[5]C[5]PP)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2{2|H<1>,2|P<4>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(PO3)2{4|H<1>}	107.1700	0.032	3	107.1700	0.001	3	107.1700	0.001	3	107.1700	0.001	3	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:1:	4:4:3:1:	3:4:4:1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:N[5]-4:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)2	C[5](C[5]C[6a]C[5]H)(N[5]C[5]HH)(COO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]HH)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]HH)(COO)(H){1|C<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]HH)(H){4|C<3>,4|H<1>}	104.6010	0.000	1	104.6010	0.000	1	104.6010	0.000	1	104.6010	0.000	1	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:1:	4:4:3:1:	4:4:1:1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C-3:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CNO)(H)	C[5](C[5]C[5]HS)(N[5]C[5]HH)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|S<2>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CNO)(H){1|S<2>,3|H<1>}	C[5](C[5]C[5]HS)(N[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	108.5330	0.000	1	108.5330	0.000	1	107.9781	1.271	8	107.5340	2.540	10	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:1:	4:4:3:1:	4:4:1:1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C-3:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CN[6]O)(H)	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CN[6]O)(H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	106.4960	0.000	1	106.4960	0.000	1	107.9781	1.271	8	107.5340	2.540	10	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:1:	4:4:3:1:	4:4:1:1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C-3:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(COO)(H)	C[5](C[5]C[5]FH)(N[5]C[5]HH)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|F<1>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(COO)(H){1|F<1>,3|H<1>}	C[5](C[5]C[5]FH)(N[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	107.8350	0.000	1	107.8350	0.000	1	107.9781	1.271	8	107.5340	2.540	10	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:1:	4:4:3:1:	4:4:1:1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C-3:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(COO)(H)	C[5](C[5]C[5]HO)(N[5]C[5]HH)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(COO)(H){1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	108.1922	1.239	5	108.1922	1.536	5	107.9781	1.271	8	107.5340	2.540	10	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:1:	4:4:3:1:	4:4:1:1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C[5]-3:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(C[5]N[5]2)(H)	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2	N[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2{2|N<3>,4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(C[5]N[5]2)(H){2|C<3>,6|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	105.7575	2.464	2	105.7575	6.073	2	105.7575	6.073	2	107.5340	2.540	10	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:1:	4:4:3:3:	4:4:3:1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C-3:C-3:	C[5]-4:N[5]-4:C-3:H-1:	N[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CCH)(COO)	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CCH)(H)	N[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CCH)(COO){1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CCH)(H){2|C<3>,2|H<1>}	106.7750	0.000	1	106.7750	0.000	1	106.7750	0.000	1	106.7750	0.000	1	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:1:	4:4:4:1:	4:4:1:1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CC[6a]2F)(H)	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CC[6a]2F)(H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	107.8680	0.000	1	107.8680	0.000	1	106.4177	2.432	8	106.9923	2.385	12	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:1:	4:4:4:1:	4:4:1:1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CC[6a]2O)(H)	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CC[6a]2O)(H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	107.1775	1.510	2	107.1775	2.279	2	106.4177	2.432	8	106.9923	2.385	12	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:1:	4:4:4:1:	4:4:1:1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CHHN)(H)	C[5](C[5]C[5]HO)(N[5]C[5]HH)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CHHN)(H){1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	108.4180	0.000	1	108.4180	0.000	1	106.4177	2.432	8	106.9923	2.385	12	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:1:	4:4:4:1:	4:4:1:1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CN[5]HH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CN[5]HH)(H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	105.1420	0.000	1	105.1420	0.000	1	106.4177	2.432	8	106.9923	2.385	12	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:1:	4:4:4:1:	4:4:1:1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CN[6]HH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CN[6]HH)(H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	105.1863	0.810	3	105.1863	0.655	3	106.4177	2.432	8	106.9923	2.385	12	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:1:	4:4:4:1:	4:4:1:1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:Si-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5](C[5]C[5]SiH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(SiC[6a]2C)(H)	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2	N[5](C[5]C[5]SiH)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(SiC[6a]2C)(H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2{1|Si<4>,3|H<1>}	108.2090	0.000	1	108.2090	0.000	1	108.1415	0.431	4	106.9923	2.385	12	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:1:	4:4:4:1:	4:4:1:1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:Si-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5](C[5]C[5]SiH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(SiC[6a]2O)(H)	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2	N[5](C[5]C[5]SiH)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(SiC[6a]2O)(H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2{1|Si<4>,3|H<1>}	108.5725	0.227	2	108.5725	0.052	2	108.1415	0.431	4	106.9923	2.385	12	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:1:	4:4:4:1:	4:4:1:1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:Si-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5](C[5]C[5]SiH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(SiC[6a]3)(H)	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2	N[5](C[5]C[5]SiH)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(SiC[6a]3)(H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2{1|Si<4>,3|H<1>}	107.2120	0.000	1	107.2120	0.000	1	108.1415	0.431	4	106.9923	2.385	12	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:1:	4:4:4:1:	4:4:3:1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C-4:H-1:	C[5]-4:N[5]-4:C-3:H-1:	N[5](C[5]C[5]CH)2(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CCHH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]HH)(COO)(H)	N[5](C[5]C[5]CH)2(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CCHH)(H){1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(COO)(H){1|C<4>,3|H<1>}	107.3348	0.575	5	107.3348	0.331	5	107.1663	0.435	6	107.1663	0.435	6	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:1:	4:4:4:1:	4:4:3:1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C-4:H-1:	C[5]-4:N[5]-4:C-3:H-1:	N[5](C[5]C[5]CH)2(H)2	C[5](C[5]C[5]HO)(N[5]C[5]HH)(CHHO)(H)	C[5](C[5]C[5]HO)(N[5]C[5]HH)(COO)(H)	N[5](C[5]C[5]CH)2(H)2{2|H<1>,2|O<2>}	C[5](C[5]C[5]HO)(N[5]C[5]HH)(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]HH)(COO)(H){1|C<4>,1|O<2>,2|H<1>}	106.3240	0.000	1	106.3240	0.000	1	107.1663	0.435	6	107.1663	0.435	6	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:1:	4:4:4:1:	4:4:4:1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C-4:H-1:	C[5]-4:N[5]-4:C-4:H-1:	N[5](C[5]C[5]CH)2(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CCHH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CCHH)(H)	N[5](C[5]C[5]CH)2(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CCHH)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CCHH)(H){1|C<4>,3|H<1>}	107.7070	0.093	3	107.7070	0.009	3	107.4845	0.204	4	107.4845	0.204	4	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:1:	4:4:4:1:	4:4:4:1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C-4:H-1:	C[5]-4:N[5]-4:C-4:H-1:	N[5](C[5]C[5]CH)2(H)2	C[5](C[5]C[5]HO)(N[5]C[5]HH)(CN[6a]HH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]HH)(CHHN)(H)	N[5](C[5]C[5]CH)2(H)2{2|H<1>,2|O<2>}	C[5](C[5]C[5]HO)(N[5]C[5]HH)(CN[6a]HH)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]HH)(CHHN)(H){1|C<4>,1|O<2>,2|H<1>}	106.8170	0.000	1	106.8170	0.000	1	107.4845	0.204	4	107.4845	0.204	4	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:1:	4:4:4:1:	4:4:4:3:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C-4:H-1:	C[5]-4:N[5]-4:C-4:C-3:	N[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CCHH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CCHH)(COO)	N[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CCHH)(COO){1|C<4>,3|H<1>}	107.6550	0.061	2	107.6550	0.004	2	107.6550	0.004	2	107.6550	0.004	2	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:1:	4:4:4:4:	4:4:4:2:	C[5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:N[5]-4:C-4:C-4:	C[3,5]-4:N[5]-4:C-4:O-2:	N[5](C[5]C[3,5]CC)(C[5]C[3,5]CO)(H)2	C[5](C[3,5]C[3,5]C[6a]C[3])(N[5]C[5]HH)(CH3)2	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]HH)(CF3)(OH)	N[5](C[5]C[3,5]CC)(C[5]C[3,5]CO)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[3,5]C[3,5]C[6a]C[3])(N[5]C[5]HH)(CH3)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]HH)(CF3)(OH){1|C<3>,2|C<4>,2|H<1>}	107.9500	0.000	1	107.9500	0.000	1	107.9500	0.000	1	107.9500	0.000	1	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:1:	4:4:4:1:	4:4:1:1:	C[5]-4:C[5]-4:C-3:O-1:	C[5]-4:N[5]-4:C-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCC)(O)	C[5](C[5]C[5]HH)(N[5]C[5]CO)(CC[6a]2O)(H)	C[5](C[5]C[5]HH)(N[5]C[5]CO)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCC)(O){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CO)(CC[6a]2O)(H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CO)(H)2{1|C<4>,3|H<1>}	102.5000	0.392	2	102.5000	0.153	2	102.2643	0.243	3	102.2643	0.243	3	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:1:	4:4:4:1:	4:4:1:1:	C[5]-4:C[5]-4:C-3:O-1:	C[5]-4:N[5]-4:C-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)(O)	C[5](C[5]C[5]HH)(N[5]C[5]CO)(CC[6a]2O)(H)	C[5](C[5]C[5]HH)(N[5]C[5]CO)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)(O){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CO)(CC[6a]2O)(H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CO)(H)2{1|C<4>,3|H<1>}	101.7930	0.000	1	101.7930	0.000	1	102.2643	0.243	3	102.2643	0.243	3	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:1:	3:4:4:1:	4:4:1:1:	C[5]-4:C[5]-4:C-4:H-1:	C[5a]-3:C[5]-4:N[5]-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(CCHH)(H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]2H)(N[5]C[5]CH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2	N[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]2H)(N[5]C[5]CH)(H){1|N<3>,2|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	103.9070	0.904	3	103.9070	0.817	3	104.3036	0.743	5	104.1311	0.585	7	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:1:	3:4:4:1:	4:4:1:1:	C[5]-4:C[5]-4:C-4:H-1:	C[5a]-3:C[5]-4:N[5]-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(CCHH)(H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(N[5]C[5]CH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2	N[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(CCHH)(H){3|C<3>,3|H<1>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(N[5]C[5]CH)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2{2|C<3>,2|H<1>}	104.8985	0.397	2	104.8985	0.157	2	104.3036	0.743	5	104.1311	0.585	7	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:1:	3:4:4:1:	4:4:1:1:	C[5]-4:C[5]-4:C-4:H-1:	C[6a]-3:C[5]-4:N[5]-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CH3)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]CH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CH3)(H){2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]CH)(H){1|C<3>,1|N<2>,6|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2{1|C<3>,3|H<1>}	103.7000	0.130	2	103.7000	0.017	2	103.7000	0.017	2	104.1311	0.585	7	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:1:	3:4:4:1:	4:4:4:1:	C[5]-4:C[5]-4:S-4:H-1:	C[5a]-3:C[5]-4:N[5]-4:H-1:	C[5]-4:N[5]-4:C-4:H-1:	N[5](C[5]C[5a]C[5]H)(C[5]C[5]CH)(SC[6a]OO)(H)	C[5](C[5a]C[5a]S[5a])(C[5]C[5]HH)(N[5]C[5]HS)(H)	C[5](C[5]C[5]HH)(N[5]C[5]HS)(CH3)(H)	N[5](C[5]C[5a]C[5]H)(C[5]C[5]CH)(SC[6a]OO)(H){1|C<3>,1|S<2>,4|H<1>}	C[5](C[5a]C[5a]S[5a])(C[5]C[5]HH)(N[5]C[5]HS)(H){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HS)(CH3)(H){1|C<3>,3|H<1>}	111.2590	0.000	1	111.2590	0.000	1	111.2590	0.000	1	111.2590	0.000	1	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:1:	4:3:4:1:	3:4:4:1:	C[5]-4:C[5]-4:S-4:H-1:	C[5]-4:C[6a]-3:N[5]-4:H-1:	C[6]-3:N[5]-4:N[5]-4:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[6]N[5]H)(SC[6a]OO)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]HS)(H)	C[5](C[6]C[6]N[6])(N[5]C[5]FeH)(N[5]C[5]HS)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[6]N[5]H)(SC[6a]OO)(H){1|Fe<6>,1|N<3>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]HS)(H){1|Fe<6>,4|H<1>,5|C<3>}	C[5](C[6]C[6]N[6])(N[5]C[5]FeH)(N[5]C[5]HS)(H){3|H<1>,4|C<3>}	110.1970	0.000	1	110.1970	0.000	1	110.1970	0.000	1	110.1970	0.000	1	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:C[5]-3:H-1:H-1:	N[5](C[5]C[5]2H)(C[5]C[5]HH)2(H)	C[5](C[5]C[5]HH)(N[5]C[5]2H)(H)2	C[5](N[5]C[5]2H)(C[5]C[5]H)(H)2	N[5](C[5]C[5]2H)(C[5]C[5]HH)2(H){2|C<3>,7|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]2H)(H)2{2|C<4>,4|H<1>}	C[5](N[5]C[5]2H)(C[5]C[5]H)(H)2{2|C<4>,5|H<1>}	105.0450	0.000	1	105.0450	0.000	1	105.0450	0.000	1	106.2350	2.832	2	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[5]-4:C[5]-4:S-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:C[5]-3:H-1:H-1:	N[5](C[5]C[5]HH)2(SC[6a]OO)(H)	C[5](C[5]C[5]CH)(N[5]C[5]HS)(H)2	C[5](N[5]C[5]HS)(C[5]C[5]C)(H)2	N[5](C[5]C[5]HH)2(SC[6a]OO)(H){1|H<1>,2|C<3>}	C[5](C[5]C[5]CH)(N[5]C[5]HS)(H)2{1|C<3>,2|H<1>}	C[5](N[5]C[5]HS)(C[5]C[5]C)(H)2{1|C<3>,3|H<1>}	107.4250	0.000	1	107.4250	0.000	1	107.4250	0.000	1	106.2350	2.832	2	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:B-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5](C[5]C[5]HH)2(BC[6a]3)(H)	C[5](C[5]C[5]HH)(N[5]C[5]BH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]BH)(H)2	N[5](C[5]C[5]HH)2(BC[6a]3)(H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]BH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]BH)(H)2{4|H<1>}	105.8960	0.000	2	105.8960	0.000	2	105.8960	0.000	2	105.2369	2.146	48	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5](C[5]C[5]HH)2(CCCH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2	N[5](C[5]C[5]HH)2(CCCH)(H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2{4|H<1>}	104.7105	0.624	4	104.7105	0.390	4	105.1313	2.185	40	105.2369	2.146	48	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5](C[5]C[5]HH)2(CCHH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2	N[5](C[5]C[5]HH)2(CCHH)(H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2{4|H<1>}	105.0212	1.161	13	105.0212	1.348	13	105.1313	2.185	40	105.2369	2.146	48	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5](C[5]C[5]HH)2(CC[5]HH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2	N[5](C[5]C[5]HH)2(CC[5]HH)(H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2{4|H<1>}	106.4805	1.368	2	106.4805	1.872	2	105.1313	2.185	40	105.2369	2.146	48	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5](C[5]C[5]HH)2(CC[5a]HH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2	N[5](C[5]C[5]HH)2(CC[5a]HH)(H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2{4|H<1>}	102.6210	0.000	1	102.6210	0.000	1	105.1313	2.185	40	105.2369	2.146	48	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5](C[5]C[5]HH)2(CC[6]HH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2	N[5](C[5]C[5]HH)2(CC[6]HH)(H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2{4|H<1>}	103.8580	1.025	5	103.8580	1.050	5	105.1313	2.185	40	105.2369	2.146	48	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5](C[5]C[5]HH)2(CC[6a]BC)(H)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2	N[5](C[5]C[5]HH)2(CC[6a]BC)(H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2{4|H<1>}	106.3950	0.000	1	106.3950	0.000	1	105.1313	2.185	40	105.2369	2.146	48	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5](C[5]C[5]HH)2(CC[6a]BH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2	N[5](C[5]C[5]HH)2(CC[6a]BH)(H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2{4|H<1>}	103.8595	0.508	2	103.8595	0.258	2	105.1313	2.185	40	105.2369	2.146	48	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5](C[5]C[5]HH)2(CC[6a]HH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2	N[5](C[5]C[5]HH)2(CC[6a]HH)(H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2{4|H<1>}	105.8497	0.743	3	105.8497	0.552	3	105.1313	2.185	40	105.2369	2.146	48	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5](C[5]C[5]HH)2(CH3)(H)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2	N[5](C[5]C[5]HH)2(CH3)(H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2{4|H<1>}	106.0907	1.973	8	106.0907	3.891	8	105.1313	2.185	40	105.2369	2.146	48	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5](C[5]C[5]HH)2(CHPP)(H)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2	N[5](C[5]C[5]HH)2(CHPP)(H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2{4|H<1>}	105.8740	0.000	1	105.8740	0.000	1	105.1313	2.185	40	105.2369	2.146	48	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5](C[5]C[5]2H)(C[5]C[5]HH)2(H)	C[5](C[5]C[5]HH)(N[5]C[5]2H)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]2H)(H)2	N[5](C[5]C[5]2H)(C[5]C[5]HH)2(H){1|C<4>,2|C<3>,6|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]2H)(H)2{1|C<3>,1|C<4>,5|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]2H)(H)2{1|C<3>,1|C<4>,5|H<1>}	105.6410	0.000	1	106.4230	0.492	3	106.4230	0.492	3	105.2369	2.146	48	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5](C[5]C[5]2H)(C[5]C[5]HH)2(H)	C[5](C[5]C[5]HH)(N[5]C[5]2H)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]2H)(H)2	N[5](C[5]C[5]2H)(C[5]C[5]HH)2(H){2|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]2H)(H)2{1|C<3>,1|C<4>,5|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]2H)(H)2{1|C<3>,1|C<4>,5|H<1>}	106.9970	0.000	1	106.4230	0.492	3	106.4230	0.492	3	105.2369	2.146	48	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5](C[5]C[5]2H)(C[5]C[5]HH)2(H)	C[5](C[5]C[5]HH)(N[5]C[5]2H)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]2H)(H)2	N[5](C[5]C[5]2H)(C[5]C[5]HH)2(H){3|C<3>,6|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]2H)(H)2{1|C<3>,1|C<4>,5|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]2H)(H)2{1|C<3>,1|C<4>,5|H<1>}	106.6310	0.000	1	106.4230	0.492	3	106.4230	0.492	3	105.2369	2.146	48	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:C[6]-4:H-1:	N[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	N[5](C[5]C[5]HH)2(C[6]C[6]2H)(H)	C[5](N[5]C[5]C[6]H)(C[5]C[5]HH)(H)2	C[5](N[5]C[5]C[6]H)(C[5]C[5]HH)(H)2	N[5](C[5]C[5]HH)2(C[6]C[6]2H)(H){1|B<4>,2|C<4>,7|H<1>}	C[5](N[5]C[5]C[6]H)(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	C[5](N[5]C[5]C[6]H)(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	106.5760	0.000	1	106.2275	0.243	2	106.2275	0.243	2	105.2369	2.146	48	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:C[6]-4:H-1:	N[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	N[5](C[5]C[5]HH)2(C[6]C[6]2H)(H)	C[5](N[5]C[5]C[6]H)(C[5]C[5]HH)(H)2	C[5](N[5]C[5]C[6]H)(C[5]C[5]HH)(H)2	N[5](C[5]C[5]HH)2(C[6]C[6]2H)(H){3|C<4>,7|H<1>}	C[5](N[5]C[5]C[6]H)(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	C[5](N[5]C[5]C[6]H)(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	105.8790	0.000	1	106.2275	0.243	2	106.2275	0.243	2	105.2369	2.146	48	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[5]-4:C[5]-4:H-1:	N[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	N[5](C[6]C[6,6a]C[6]H)(C[5]C[5]HH)2(H)	C[5](N[5]C[5]C[6]H)(C[5]C[5]HH)(H)2	C[5](N[5]C[5]C[6]H)(C[5]C[5]HH)(H)2	N[5](C[6]C[6,6a]C[6]H)(C[5]C[5]HH)2(H){1|C<4>,2|C<3>,6|H<1>}	C[5](N[5]C[5]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,5|H<1>}	C[5](N[5]C[5]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,5|H<1>}	102.6050	0.000	1	102.6050	0.000	1	102.6050	0.000	1	105.2369	2.146	48	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C-3:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]CH)(COO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH)(H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(COO)(H){4|H<1>}	107.1668	1.260	5	107.1668	1.589	5	106.7668	2.231	6	106.4426	2.595	7	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C-3:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]CH)(COO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(COO)(H){4|H<1>}	104.7670	0.000	1	104.7670	0.000	1	106.7668	2.231	6	106.4426	2.595	7	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[6,6]-4:C[5]-4:C[5]-4:H-1:	N[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:C-3:H-1:	N[5](C[6,6]C[3x6]C[6,6]H)(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5](N[5]C[6,6]C[5]H)(C[5]C[5]HH)(H)2	C[5](N[5]C[6,6]C[5]H)(C[5]C[5]HH)(COO)(H)	N[5](C[6,6]C[3x6]C[6,6]H)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,6|H<1>}	C[5](N[5]C[6,6]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5](N[5]C[6,6]C[5]H)(C[5]C[5]HH)(COO)(H){2|C<4>,5|H<1>}	104.4970	0.000	1	104.4970	0.000	1	104.4970	0.000	1	106.4426	2.595	7	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C-4:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H)	C[5](C[5]N[5a]C[5]H)(N[5]C[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]CH)(CHHN)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H){1|N<3>,3|H<1>}	C[5](C[5]N[5a]C[5]H)(N[5]C[5]CH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(CHHN)(H){1|N<3>,3|H<1>}	101.4180	0.000	1	101.4180	0.000	1	107.0901	6.089	9	107.0901	6.089	9	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C-4:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5]HH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]CH)(CHHO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5]HH)(H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(CHHO)(H){4|H<1>}	105.6100	0.000	1	105.6100	0.000	1	107.0901	6.089	9	107.0901	6.089	9	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C-4:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]CH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]CH)(H)2	C[5](C[5]C[5]CH)(N[5]C[5]CH)(CCHH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]CH)(H){2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]CH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5]CH)(N[5]C[5]CH)(CCHH)(H){1|C<3>,3|H<1>}	109.2460	0.000	1	109.2460	0.000	1	107.0901	6.089	9	107.0901	6.089	9	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C-4:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]CH)(CCHS)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH)(H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(CCHS)(H){4|H<1>}	107.1640	0.000	1	107.1640	0.000	1	107.0901	6.089	9	107.0901	6.089	9	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C-4:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]CH)(CCHH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(CCHH)(H){4|H<1>}	108.4052	0.942	4	108.4052	0.888	4	107.0901	6.089	9	107.0901	6.089	9	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C-4:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]CH)(CHHO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(CHHO)(H){4|H<1>}	106.7520	0.000	1	106.7520	0.000	1	107.0901	6.089	9	107.0901	6.089	9	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:1:	4:4:3:1:	4:4:1:1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:C-3:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(COO)(H)	C[5](C[5]C[5]HO)(N[5]C[5]CH)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H){1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(COO)(H){1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]CH)(H)2{1|C<3>,3|H<1>}	106.7500	0.000	1	106.7500	0.000	1	106.0080	1.101	2	105.4308	0.822	4	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:1:	4:4:3:1:	4:4:1:1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:C-3:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(COO)(H)	C[5](C[5]C[5]HO)(N[5]C[5]CH)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H){1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(COO)(H){1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]CH)(H)2{1|C<3>,3|H<1>}	105.2660	0.000	1	105.2660	0.000	1	106.0080	1.101	2	105.4308	0.822	4	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:1:	4:4:3:1:	4:4:1:1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:C[6]-3:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(C[6]C[6]2)(H)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2	N[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(CH3)(H){2|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(C[6]C[6]2)(H){1|C<3>,1|N<3>,6|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2{1|C<3>,3|H<1>}	104.8535	0.177	2	104.8535	0.032	2	104.8535	0.032	2	105.4308	0.822	4	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:C-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(CHHO)(H)	C[5](C[5]C[5]HN)(N[5]C[5]CH)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H){1|N<3>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(CHHO)(H){1|N<3>,3|H<1>}	C[5](C[5]C[5]HN)(N[5]C[5]CH)(H)2{1|C<4>,3|H<1>}	107.8700	0.000	1	107.8700	0.000	1	106.9905	1.547	2	106.9905	1.547	2	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:C-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(CC[5a]HH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(CC[5a]HH)(H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2{1|C<4>,3|H<1>}	106.1110	0.000	1	106.1110	0.000	1	106.9905	1.547	2	106.9905	1.547	2	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:1:	4:4:4:1:	4:4:3:1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:C-4:H-1:	C[5]-4:N[5]-4:C-3:H-1:	N[5](C[5]C[5]CH)2(CCHH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]CH)(CHHO)(H)	C[5](C[5]C[5]HO)(N[5]C[5]CH)(COO)(H)	N[5](C[5]C[5]CH)2(CCHH)(H){2|H<1>,2|O<2>}	C[5](C[5]C[5]HO)(N[5]C[5]CH)(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]CH)(COO)(H){1|C<4>,1|O<2>,2|H<1>}	106.2630	0.000	1	106.2630	0.000	1	106.2630	0.000	1	106.2630	0.000	1	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:N[5]-4:C-4:H-1:	C[5,5]-4:N[5]-4:C-4:H-1:	N[5](C[5]C[5,5]CH)2(CC3)(H)	C[5](C[5,5]C[5,5]C[5]Fe)(N[5]C[5]CH)(CBHH)(H)	C[5](C[5,5]C[5,5]C[5]Fe)(N[5]C[5]CH)(CCHH)(H)	N[5](C[5]C[5,5]CH)2(CC3)(H){1|Fe<10>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]Fe)(N[5]C[5]CH)(CBHH)(H){2|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]C[5]Fe)(N[5]C[5]CH)(CCHH)(H){2|H<1>,3|C<4>}	110.2860	0.000	1	110.2860	0.000	1	110.2860	0.000	1	110.2860	0.000	1	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:4:	3:4:1:1:	3:4:4:1:	C[5]-4:C[5]-4:B-4:C-4:	C[5,6a]-3:N[5]-4:H-1:H-1:	C[5,6a]-3:N[5]-4:C-4:H-1:	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(BH3)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]BC)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]BC)(CH3)(H)	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(BH3)(CH3){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]BC)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]BC)(CH3)(H){2|C<3>,3|H<1>}	103.0090	0.000	1	103.0090	0.000	1	103.0090	0.000	1	104.2740	1.173	4	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:4:	3:4:1:1:	3:4:4:1:	C[5]-4:C[5]-4:B-4:C-4:	C[5,6a]-3:N[5]-4:H-1:H-1:	C[5,6a]-3:N[5]-4:Si-4:H-1:	N[5](C[5]C[5,6a]SiH)(C[5]C[5,6a]HH)(BH3)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]BC)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]BC)(SiC3)(H)	N[5](C[5]C[5,6a]SiH)(C[5]C[5,6a]HH)(BH3)(CH3){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]BC)(H)2{1|Si<4>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]BC)(SiC3)(H){2|C<3>,3|H<1>}	104.4670	1.035	2	104.4670	1.072	2	104.4670	1.072	2	104.2740	1.173	4	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:4:	3:4:1:1:	3:4:4:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5,6a]-3:N[5]-4:H-1:H-1:	C[5,6a]-3:N[5]-4:C-4:H-1:	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CH3)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(CCHH)(H)	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CH3)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(CCHH)(H){2|C<3>,3|H<1>}	105.1530	0.000	1	105.1530	0.000	1	105.1530	0.000	1	104.2740	1.173	4	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:B-4:B-4:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5](C[5]C[5]HH)2(BH3)2	C[5](C[5]C[5]HH)(N[5]C[5]BB)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]BB)(H)2	N[5](C[5]C[5]HH)2(BH3)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]BB)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]BB)(H)2{4|H<1>}	101.9240	0.000	1	101.9240	0.000	1	101.9240	0.000	1	103.3106	5.211	79	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:B-4:C-4:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5](C[5]C[5]HH)2(BCHH)(CH3)	C[5](C[5]C[5]HH)(N[5]C[5]BC)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]BC)(H)2	N[5](C[5]C[5]HH)2(BCHH)(CH3){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]BC)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]BC)(H)2{4|H<1>}	104.1650	3.021	2	104.1650	9.125	2	104.1650	9.125	2	103.3106	5.211	79	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5,5,6,6]-4:N[5]-4:H-1:H-1:	C[5,5,6,6]-4:N[5]-4:H-1:H-1:	N[5](C[5]C[5,5,6,6]HH)2(CCHH)(CH3)	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(N[5]C[5]CC)(H)2	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(N[5]C[5]CC)(H)2	N[5](C[5]C[5,5,6,6]HH)2(CCHH)(CH3){4|C<3>}	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(N[5]C[5]CC)(H)2{2|H<1>,6|C<3>}	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(N[5]C[5]CC)(H)2{2|H<1>,6|C<3>}	102.4235	0.387	2	102.4235	0.150	2	102.4235	0.150	2	103.3106	5.211	79	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5,5]-4:N[5]-4:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5](C[5]C[5,5]HH)(C[5]C[5]HH)(CH3)2	C[5](C[5,5]C[5]2S[5])(N[5]C[5]CC)(H)2	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]CC)(H)2	N[5](C[5]C[5,5]HH)(C[5]C[5]HH)(CH3)2{1|H<1>,1|S<2>,2|C<3>}	C[5](C[5,5]C[5]2S[5])(N[5]C[5]CC)(H)2{1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]CC)(H)2{1|S<2>,2|H<1>,3|C<3>}	104.6810	0.000	1	104.6810	0.000	1	104.6810	0.000	1	103.3106	5.211	79	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5](C[5]C[5]HH)2(CCHH)(CH3)	C[5](C[5]C[5]HH)(N[5]C[5]CC)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]CC)(H)2	N[5](C[5]C[5]HH)2(CCHH)(CH3){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CC)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CC)(H)2{4|H<1>}	103.4504	2.659	48	103.4504	7.069	48	103.2321	5.587	67	103.3106	5.211	79	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5](C[5]C[5]HH)2(CCHH)2	C[5](C[5]C[5]HH)(N[5]C[5]CC)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]CC)(H)2	N[5](C[5]C[5]HH)2(CCHH)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CC)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CC)(H)2{4|H<1>}	102.0990	0.000	1	102.0990	0.000	1	103.2321	5.587	67	103.3106	5.211	79	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5](C[5]C[5]HH)2(CC[5,6]HH)(CC[6a]HH)	C[5](C[5]C[5]HH)(N[5]C[5]CC)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]CC)(H)2	N[5](C[5]C[5]HH)2(CC[5,6]HH)(CC[6a]HH){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CC)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CC)(H)2{4|H<1>}	102.7280	1.294	2	102.7280	1.674	2	103.2321	5.587	67	103.3106	5.211	79	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5](C[5]C[5]HH)2(CC[6a]HH)(CCHH)	C[5](C[5]C[5]HH)(N[5]C[5]CC)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]CC)(H)2	N[5](C[5]C[5]HH)2(CC[6a]HH)(CCHH){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CC)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CC)(H)2{4|H<1>}	101.3680	0.275	3	101.3680	0.076	3	103.2321	5.587	67	103.3106	5.211	79	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5](C[5]C[5]HH)2(CH3)2	C[5](C[5]C[5]HH)(N[5]C[5]CC)(H)2	C[5](C[5]C[5]FH)(N[5]C[5]CC)(H)2	N[5](C[5]C[5]HH)2(CH3)2{1|F<1>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CC)(H)2{1|F<1>,3|H<1>}	C[5](C[5]C[5]FH)(N[5]C[5]CC)(H)2{4|H<1>}	104.7777	1.756	3	104.7777	3.082	3	103.2321	5.587	67	103.3106	5.211	79	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5](C[5]C[5]HH)2(CH3)2	C[5](C[5]C[5]HH)(N[5]C[5]CC)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]CC)(H)2	N[5](C[5]C[5]HH)2(CH3)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CC)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CC)(H)2{4|H<1>}	102.4939	0.395	10	102.4939	0.156	10	103.2321	5.587	67	103.3106	5.211	79	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:N[5]-4:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]HH)(CH3)2	C[5](C[5]N[5]HH)(N[5]C[5]CC)(H)2	C[5](N[5]C[5]CC)2(H)2	N[5](C[5]C[5]HH)(C[5]N[5]HH)(CH3)2{2|C<4>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]CC)(H)2{2|C<4>,2|H<1>}	C[5](N[5]C[5]CC)2(H)2{4|H<1>}	104.3243	1.793	4	104.3243	3.215	4	104.3243	3.215	4	103.3106	5.211	79	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:C[6]-4:C-4:	N[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	N[5](C[5]C[5]HH)2(C[6]C[6]2H)(CCHH)	C[5](N[5]C[5]C[6]C)(C[5]C[5]HH)(H)2	C[5](N[5]C[5]C[6]C)(C[5]C[5]HH)(H)2	N[5](C[5]C[5]HH)2(C[6]C[6]2H)(CCHH){1|C<3>,1|C<4>,8|H<1>}	C[5](N[5]C[5]C[6]C)(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	C[5](N[5]C[5]C[6]C)(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	105.7730	0.000	1	105.7730	0.000	1	105.7730	0.000	1	103.3106	5.211	79	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:Si-4:B-4:	N[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	N[5](C[5]C[5]HH)2(SiC3)(BH3)	C[5](N[5]C[5]SiB)(C[5]C[5]HH)(H)2	C[5](N[5]C[5]SiB)(C[5]C[5]HH)(H)2	N[5](C[5]C[5]HH)2(SiC3)(BH3){4|H<1>}	C[5](N[5]C[5]SiB)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](N[5]C[5]SiB)(C[5]C[5]HH)(H)2{4|H<1>}	102.1310	0.000	1	102.1310	0.000	1	102.1310	0.000	1	103.3106	5.211	79	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:4:	4:4:1:1:	4:4:3:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C-3:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)2	C[5](C[5]C[5]HH)(N[5]C[5]CC)(H)2	C[5](C[5]C[5]HO)(N[5]C[5]CC)(COO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)2{1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CC)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]CC)(COO)(H){4|H<1>}	100.7660	0.000	1	100.7660	0.000	1	100.7660	0.000	1	100.7660	0.000	1	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5]-4:C[5]-4:C-4:B-4:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C-4:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH)(BH3)	C[5](C[5]C[5]HH)(N[5]C[5]BC)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]BC)(CCHH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH)(BH3){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]BC)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]BC)(CCHH)(H){4|H<1>}	101.0070	0.000	1	101.0070	0.000	1	101.0070	0.000	1	102.3813	1.519	3	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C-4:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CSiHH)(CH3)	C[5](C[5]C[5]HH)(N[5]C[5]CC)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]CC)(CHHO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CSiHH)(CH3){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CC)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CC)(CHHO)(H){4|H<1>}	103.0685	0.453	2	103.0685	0.205	2	103.0685	0.205	2	102.3813	1.519	3	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5,6]-4:N[5]-4:C-4:H-1:	C[5,6]-4:N[5]-4:H-1:H-1:	N[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(CH3)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]CC)(CHHO)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]CC)(H)2	N[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(CH3)2{2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]CC)(CHHO)(H){2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]CC)(H)2{3|C<4>,4|H<1>}	105.2730	0.000	1	105.2730	0.000	1	105.2730	0.000	1	105.2730	0.000	1	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:4:	4:4:4:1:	4:4:4:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5,5]-4:N[5]-4:C-4:H-1:	C[5,5]-4:N[5]-4:C-4:H-1:	N[5](C[5]C[5,5]CH)2(CH3)2	C[5](C[5,5]C[5,5]C[5]Fe)(N[5]C[5]CC)(CBHH)(H)	C[5](C[5,5]C[5,5]C[5]Fe)(N[5]C[5]CC)(CCHH)(H)	N[5](C[5]C[5,5]CH)2(CH3)2{1|Fe<10>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]Fe)(N[5]C[5]CC)(CBHH)(H){2|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]C[5]Fe)(N[5]C[5]CC)(CCHH)(H){2|H<1>,3|C<4>}	107.2000	0.000	1	107.2000	0.000	1	107.2000	0.000	1	107.2000	0.000	1	106.1338	7.166	358	105.6041	8.788	605
999	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:5:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:B-4:B-5:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5](C[5]C[5]HH)2(BN[5]HH)(BMgH3)	C[5](C[5]C[5]HH)(N[5]C[5]BB)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]BB)(H)2	N[5](C[5]C[5]HH)2(BN[5]HH)(BMgH3){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]BB)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]BB)(H)2{4|H<1>}	100.5810	0.000	1	100.5810	0.000	1	100.5810	0.000	1	100.5810	0.000	1	106.1338	7.166	358	105.6041	8.788	605
999	474	474	6:SP3_SP3_SP3	N[5,5,6,6]	C[5,6]	C[5,6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:C[6]-4:	N[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	N[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	N[5,5,6,6](C[5,5,6]C[5,5,6]C[5a,6]C)(C[5,6]C[5,6]HH)2(C[6]C[6]HH)	C[5,6](N[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5,5,6]CH)(H)2	C[5,6](N[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5,5,6]HH)(H)2	N[5,5,6,6](C[5,5,6]C[5,5,6]C[5a,6]C)(C[5,6]C[5,6]HH)2(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,5|H<1>}	C[5,6](N[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5,5,6]CH)(H)2{1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5,6](N[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,4|H<1>}	106.6540	0.000	1	106.6540	0.000	1	106.6540	0.000	1	106.6540	0.000	1	106.6540	0.000	1	101.8080	2.316	36
999	474	474	6:SP3_SP3_SP3	N[5,5,6]	C[3x5,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[3x5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:N[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:N[5,5,6]-4:H-1:H-1:	N[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]C[5]CH)(H)	C[3x5,6](C[5,5,6]O[5,6]C[5]H)(N[5,5,6]C[5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(N[5,5,6]C[3x5,6]C[5]H)(H)2	N[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]C[5]CH)(H){1|O<2>,6|H<1>}	C[3x5,6](C[5,5,6]O[5,6]C[5]H)(N[5,5,6]C[5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H){1|C<3>,6|H<1>}	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(N[5,5,6]C[3x5,6]C[5]H)(H)2{1|C<3>,2|C<4>,4|H<1>}	103.8700	0.000	1	103.8700	0.000	1	103.8700	0.000	1	103.8700	0.000	1	103.8700	0.000	1	101.8080	2.316	36
999	474	474	6:SP3_SP3_SP3	N[5,5,6]	C[5,6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:4:4:1:	C[5,6]-4:C[5,6]-4:C[5]-4:C[5]-4:	N[5,5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,5,6](C[5,6]C[5]C[6]H)2(C[5]C[5]HH)2	C[5,6](N[5,5,6]C[5,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](N[5,5,6]C[5,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]HH)(H)	N[5,5,6](C[5,6]C[5]C[6]H)2(C[5]C[5]HH)2{12|H<1>,1|C<4>}	C[5,6](N[5,5,6]C[5,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,8|H<1>}	C[5,6](N[5,5,6]C[5,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,8|H<1>}	100.6191	0.285	12	100.6191	0.081	12	100.6191	0.081	12	100.6191	0.081	12	100.6191	0.081	12	101.8080	2.316	36
999	474	474	6:SP3_SP3_SP3	N[5,6,6]	C[5,5,4x6]	C[5,6]	4:4:4:1:	4:4:4:4:	4:4:1:1:	C[5,5,4x6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,5,6,6]-4:C[5,3x6]-4:N[5,6,6]-4:C[6]-4:	C[5,5,6]-4:N[5,6,6]-4:H-1:H-1:	N[5,6,6](C[5,5,4x6]C[5,5,6,6]C[5,3x6]C[6])(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(H)	C[5,5,4x6](C[5,5,6,6]C[5,5,6]C[6]2)(C[5,3x6]C[5,6]C[6,6]H)(N[5,6,6]C[5,6]C[6]H)(C[6]C[6]HH)	C[5,6](C[5,5,6]C[5,5,6,6]C[5,6]H)(N[5,6,6]C[5,5,4x6]C[6]H)(H)2	N[5,6,6](C[5,5,4x6]C[5,5,6,6]C[5,3x6]C[6])(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(H){5|C<4>,6|H<1>}	C[5,5,4x6](C[5,5,6,6]C[5,5,6]C[6]2)(C[5,3x6]C[5,6]C[6,6]H)(N[5,6,6]C[5,6]C[6]H)(C[6]C[6]HH){12|H<1>,1|O<2>,4|C<4>}	C[5,6](C[5,5,6]C[5,5,6,6]C[5,6]H)(N[5,6,6]C[5,5,4x6]C[6]H)(H)2{4|H<1>,5|C<4>}	105.1230	0.000	1	105.1230	0.000	1	105.1230	0.000	1	105.1230	0.000	1	105.1230	0.000	1	101.8080	2.316	36
999	474	474	6:SP3_SP3_SP3	N[5,6,6]	C[5,5,6,6]	C[5,3x6]	4:4:4:1:	4:3:4:4:	4:4:4:1:	C[5,5,6,6]-4:C[5,3x6]-4:C[6]-4:H-1:	N[5,6,6]-4:C[5,6,6]-3:C[6,6]-4:C[5,5,6]-4:	N[5,6,6]-4:C[3x6]-4:C[5,6]-4:H-1:	N[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]C[6,6])(C[5,3x6]C[3x6]C[5,6]H)(C[6]C[6]CH)(H)	C[5,5,6,6](N[5,6,6]C[5,3x6]C[6]H)(C[5,6,6]C[5,6,6]C[6])(C[6,6]C[6,6]C[6]H)(C[5,5,6]C[5,6]2H)	C[5,3x6](N[5,6,6]C[5,5,6,6]C[6]H)(C[3x6]C[5,6,6]C[6]H)(C[5,6]C[5,5,6]HH)(H)	N[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]C[6,6])(C[5,3x6]C[3x6]C[5,6]H)(C[6]C[6]CH)(H){1|C<3>,5|C<4>,7|H<1>}	C[5,5,6,6](N[5,6,6]C[5,3x6]C[6]H)(C[5,6,6]C[5,6,6]C[6])(C[6,6]C[6,6]C[6]H)(C[5,5,6]C[5,6]2H){1|C<3>,1|O<2>,6|C<4>,9|H<1>}	C[5,3x6](N[5,6,6]C[5,5,6,6]C[6]H)(C[3x6]C[5,6,6]C[6]H)(C[5,6]C[5,5,6]HH)(H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	101.8880	0.000	1	101.8880	0.000	1	101.8880	0.000	1	101.8880	0.000	1	101.8880	0.000	1	101.8080	2.316	36
999	474	474	6:SP3_SP3_SP3	N[5,6]	C[5,5,6]	C[5,6]	4:4:1:1:	4:4:4:1:	4:4:1:1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:N[5,6]-4:H-1:	C[5,5,6]-4:N[5,6]-4:H-1:H-1:	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]HH)(N[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(N[5,6]C[5,5,6]HH)(H)2	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|N<3>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]HH)(N[5,6]C[5,6]HH)(H){4|H<1>}	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(N[5,6]C[5,5,6]HH)(H)2{1|C<4>,4|H<1>}	104.2625	0.506	2	104.2625	0.256	2	104.2625	0.256	2	104.2625	0.256	2	103.8513	0.635	3	101.8080	2.316	36
999	474	474	6:SP3_SP3_SP3	N[5,6]	C[5,5,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:N[5,6]-4:H-1:	C[5,5,6,6]-4:N[5,6]-4:H-1:H-1:	N[5,6](C[5,5,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,5,6,6]HH)(CH3)(H)	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5,6]H)(C[5,6,6]C[5,3x6]C[6]H)(N[5,6]C[5,6]CH)(H)	C[5,6](C[5,5,6,6]C[5,3x6]C[5,5,6]C)(N[5,6]C[5,5,6]CH)(H)2	N[5,6](C[5,5,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,5,6,6]HH)(CH3)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5,6]H)(C[5,6,6]C[5,3x6]C[6]H)(N[5,6]C[5,6]CH)(H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[5,6](C[5,5,6,6]C[5,3x6]C[5,5,6]C)(N[5,6]C[5,5,6]CH)(H)2{3|C<4>,3|H<1>}	103.0290	0.000	1	103.0290	0.000	1	103.0290	0.000	1	103.0290	0.000	1	103.8513	0.635	3	101.8080	2.316	36
999	474	474	6:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5,6]	4:4:1:1:	4:4:3:1:	4:4:4:1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	N[5,6]-4:C[5]-4:C[6]-3:H-1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6](C[5,6]C[5]C[6]H)2(H)2	C[5,6](N[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)2(H)2{1|C<3>,7|H<1>}	C[5,6](N[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,3|H<1>}	C[5,6](N[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(H){2|C<3>,3|H<1>}	102.3160	0.000	1	102.3160	0.000	1	102.3160	0.000	1	102.3160	0.000	1	101.6805	0.651	17	101.8080	2.316	36
999	474	474	6:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5,6]	4:4:1:1:	4:4:4:1:	4:4:4:1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6](C[5,6]C[5]C[6]H)2(H)2	C[5,6](N[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](N[5,6]C[5,6]HH)(C[5]C[5]HO)(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)2(H)2{1|C<4>,1|O<2>,7|H<1>}	C[5,6](N[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,4|H<1>}	C[5,6](N[5,6]C[5,6]HH)(C[5]C[5]HO)(C[6]C[6]HH)(H){1|C<4>,5|H<1>}	102.8580	0.000	1	102.8580	0.000	1	102.8580	0.000	1	102.8580	0.000	1	101.6805	0.651	17	101.8080	2.316	36
999	474	474	6:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:3:1:	C[5,6]-4:C[5,6]-4:C-4:H-1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:C[5]-4:C[6]-3:H-1:	N[5,6](C[5,6]C[5]C[6]H)2(CH3)(H)	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]C)(H)	N[5,6](C[5,6]C[5]C[6]H)2(CH3)(H){2|C<3>,6|H<1>}	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|H<1>}	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|H<1>}	101.3870	0.000	1	101.3870	0.000	1	101.3870	0.000	1	101.3870	0.000	1	101.6805	0.651	17	101.8080	2.316	36
999	474	474	6:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[5,6]-4:C[5,6]-4:C-4:H-1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6](C[5,6]C[5]C[6]H)2(CH3)(H)	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)2(CH3)(H){1|C<3>,1|C<4>,7|H<1>}	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,4|H<1>}	101.8450	0.000	1	102.1263	0.170	7	101.8310	0.233	12	101.8310	0.233	12	101.6805	0.651	17	101.8080	2.316	36
999	474	474	6:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[5,6]-4:C[5,6]-4:C-4:H-1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6](C[5,6]C[5]C[6]H)2(CH3)(H)	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)2(CH3)(H){1|C<3>,1|C<4>,7|H<1>}	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,4|H<1>}	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,4|H<1>}	102.6355	0.385	2	102.1263	0.170	7	101.8310	0.233	12	101.8310	0.233	12	101.6805	0.651	17	101.8080	2.316	36
999	474	474	6:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[5,6]-4:C[5,6]-4:C-4:H-1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6](C[5,6]C[5]C[6]H)2(CH3)(H)	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)2(CH3)(H){1|C<3>,1|C<4>,7|H<1>}	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<2>,4|H<1>}	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,4|H<1>}	101.9420	0.215	4	102.1263	0.170	7	101.8310	0.233	12	101.8310	0.233	12	101.6805	0.651	17	101.8080	2.316	36
999	474	474	6:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[5,6]-4:C[5,6]-4:C-4:H-1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6](C[5,6]C[5]C[6]H)2(CH3)(H)	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)2(CH3)(H){1|C<4>,8|H<1>}	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|N<4>,4|H<1>}	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|N<4>,4|H<1>}	101.5970	0.000	1	101.5135	0.014	2	101.8310	0.233	12	101.8310	0.233	12	101.6805	0.651	17	101.8080	2.316	36
999	474	474	6:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[5,6]-4:C[5,6]-4:C-4:H-1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6](C[5,6]C[5]C[6]H)2(CH3)(H)	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)2(CH3)(H){1|C<4>,8|H<1>}	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]HH)(H){2|C<4>,4|H<1>}	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]HH)(H){2|C<4>,4|H<1>}	101.4300	0.000	1	101.5135	0.014	2	101.8310	0.233	12	101.8310	0.233	12	101.6805	0.651	17	101.8080	2.316	36
999	474	474	6:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[5,6]-4:C[5,6]-4:C-4:H-1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6](C[5,6]C[5]C[6]H)2(CH3)(H)	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HO)(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)2(CH3)(H){1|C<4>,1|O<2>,7|H<1>}	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,2|O<2>,3|H<1>}	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HO)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,4|H<1>}	101.3537	0.132	3	101.3537	0.018	3	101.8310	0.233	12	101.8310	0.233	12	101.6805	0.651	17	101.8080	2.316	36
999	474	474	6:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:4:4:1:	C[5,6]-4:C[5,6]-4:B-4:C-4:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6](C[5,6]C[5]C[6]H)2(BH3)(CH3)	C[5,6](N[5,6]C[5,6]BC)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](N[5,6]C[5,6]BC)(C[5]C[5]HH)(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)2(BH3)(CH3){1|C<4>,8|H<1>}	C[5,6](N[5,6]C[5,6]BC)(C[5]C[5]HH)(C[6]C[6]HH)(H){2|C<4>,4|H<1>}	C[5,6](N[5,6]C[5,6]BC)(C[5]C[5]HH)(C[6]C[6]HH)(H){2|C<4>,4|H<1>}	99.7285	0.000	1	99.7285	0.000	1	99.7285	0.000	1	100.0178	0.167	2	101.6805	0.651	17	101.8080	2.316	36
999	474	474	6:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5,6]	4:4:4:4:	4:4:4:1:	4:4:4:1:	C[5,6]-4:C[5,6]-4:C-4:C-4:	N[5,6]-4:C[6]-4:C[5]-4:H-1:	N[5,6]-4:C[6]-4:C[5]-4:H-1:	N[5,6](C[5,6]C[5]C[6]H)2(CH3)2	C[5,6](N[5,6]C[5,6]CC)(C[6]C[5,6]HH)(C[5]C[5]HH)(H)	C[5,6](N[5,6]C[5,6]CC)(C[6]C[5,6]HH)(C[5]C[5]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)2(CH3)2{1|C<4>,8|H<1>}	C[5,6](N[5,6]C[5,6]CC)(C[6]C[5,6]HH)(C[5]C[5]HH)(H){1|C<4>,2|O<2>,3|H<1>}	C[5,6](N[5,6]C[5,6]CC)(C[6]C[5,6]HH)(C[5]C[5]HH)(H){1|C<4>,2|O<2>,3|H<1>}	100.3070	0.000	1	100.3070	0.000	1	100.3070	0.000	1	100.0178	0.167	2	101.6805	0.651	17	101.8080	2.316	36