983	930	991	0:SP1_SP-NON_SP2	C	C	Br	2:3:	2:2:1:	3:2:	Br-2:C-3:	C-2:C-2:Cl-1:	C[6]-3:C-2:	C(BrC[6])(CClC)	C(CBr)(CC)(Cl)	Br(C[6]C[6]2)(CC)	C(BrC[6])(CClC)	C(CBr)(CC)(Cl)	Br(C[6]C[6]2)(CC)	121.2110	0.000	1	121.2110	0.000	1	121.2110	0.000	1	121.2110	0.000	1	121.2110	0.000	1	121.2110	0.000	1
983	930	992	0:SP1_SP2_SP3	C	C	P	4:3:	2:1:1:	4:3:3:2:	P-4:C-3:	C-2:H-1:H-1:	B-4:C-3:C-3:C-2:	C(PBCC)(CHH)	C(CP)(H)2	P(BI3)(CCH)2(CC)	C(PBCC)(CHH)	C(CP)(H)2	P(BI3)(CCH)2(CC)	123.4430	0.000	1	123.4430	0.000	1	123.4430	0.000	1	123.4430	0.000	1	123.4430	0.000	1	123.4430	0.000	1
983	939	941	0:SP1_SP2_SP2	C	Ge[5]	N	3:2:	5:3:2:	3:2:	Ge[5]-3:N-2:	Ge[3,3,5]-5:N[5]-3:C-2:	C[6]-3:C-2:	C(Ge[5]Ge[3,3,5]N[5])(NC[6])	Ge[5](Ge[3,3,5]B[3,3]N[3]2N[5])(N[5]C[6a]B[5])(CN)	N(C[6]C[6]2)(CGe[5])	C(Ge[5]Ge[3,3,5]N[5])(NC[6])	Ge[5](Ge[3,3,5]B[3,3]N[3]2N[5])(N[5]C[6a]B[5])(CN){2|N<3>,5|C<3>}	N(C[6]C[6]2)(CGe[5])	165.9760	0.000	1	165.9760	0.000	1	165.9760	0.000	1	165.9760	0.000	1	167.8220	6.815	2	167.8220	6.815	2
983	939	941	0:SP1_SP2_SP2	C	Ge[5]	N	3:2:	5:3:2:	4:2:	Ge[5]-3:N-2:	Ge[3,3,5]-5:N[5]-3:C-2:	C[3x6]-4:C-2:	C(Ge[5]Ge[3,3,5]N[5])(NC[3x6])	Ge[5](Ge[3,3,5]B[3,3]N[3]2N[5])(N[5]C[6a]B[5])(CN)	N(C[3x6]C[6,6]3)(CGe[5])	C(Ge[5]Ge[3,3,5]N[5])(NC[3x6])	Ge[5](Ge[3,3,5]B[3,3]N[3]2N[5])(N[5]C[6a]B[5])(CN){2|N<3>,5|C<3>}	N(C[3x6]C[6,6]3)(CGe[5])	169.6680	0.000	1	169.6680	0.000	1	169.6680	0.000	1	169.6680	0.000	1	167.8220	6.815	2	167.8220	6.815	2
983	940	941	0:SP1_SP-NON_SP2	C	P	N	2:2:	3:2:	3:2:	N-2:P-2:	B[5a]-3:C-2:	C[6a]-3:C-2:	C(NC[6a])(PB[5a])	P(B[5a]N[5a]2)(CN)	N(C[6a]C[6a]2)(CP)	C(NC[6a])(PB[5a])	P(B[5a]N[5a]2)(CN)	N(C[6a]C[6a]2)(CP)	167.5020	0.000	1	167.5020	0.000	1	167.5020	0.000	1	166.1285	3.773	2	166.8528	3.685	4	166.8528	3.685	4
983	940	941	0:SP1_SP-NON_SP2	C	P	N	2:2:	3:2:	3:2:	N-2:P-2:	C-3:C-2:	C[6a]-3:C-2:	C(NC[6a])(PC)	P(CB[5a]N)(CN)	N(C[6a]C[6a]2)(CP)	C(NC[6a])(PC)	P(CB[5a]N)(CN)	N(C[6a]C[6a]2)(CP)	164.7550	0.000	1	164.7550	0.000	1	164.7550	0.000	1	166.1285	3.773	2	166.8528	3.685	4	166.8528	3.685	4
983	940	941	0:SP1_SP-NON_SP2	C	P	N	2:2:	3:2:	4:2:	P-2:N-2:	B[5a]-3:C-2:	C-4:C-2:	C(PB[5a])(NC)	P(B[5a]N[5a]2)(CN)	N(CC3)(CP)	C(PB[5a])(NC)	P(B[5a]N[5a]2)(CN)	N(CC3)(CP)	167.5770	2.277	2	167.5770	5.184	2	167.5770	5.184	2	167.5770	5.184	2	166.8528	3.685	4	166.8528	3.685	4
983	941	941	0:SP1_SP2_SP2	C	N	N	2:2:	2:1:	2:1:	N-2:N-2:	C-2:C-1:	C-2:C-1:	C(NC)2	N(CN)(C)	N(CN)(C)	C(NC)2	N(CN)(C)	N(CN)(C)	112.2390	0.000	1	112.2390	0.000	1	112.2390	0.000	1	112.2390	0.000	1	168.4750	279.524	14	168.4750	279.524	14
983	941	941	0:SP1_SP2_SP2	C	N	N	2:2:	3:2:	3:2:	N-2:N-2:	C[6a]-3:C-2:	C[6a]-3:C-2:	C(NC[6a])2	N(C[6a]C[6a]2)(CN)	N(C[6a]C[6a]2)(CN)	C(NC[6a])2	N(C[6a]C[6a]2)(CN)	N(C[6a]C[6a]2)(CN)	171.0810	5.057	5	171.0810	25.575	5	171.0810	25.575	5	171.0810	25.575	5	168.4750	279.524	14	168.4750	279.524	14
983	941	941	0:SP1_SP2_SP2	C	N	N	2:2:	3:2:	4:2:	N-2:N-2:	C[6a]-3:C-2:	P-4:C-2:	C(NC[6a])(NP)	N(C[6a]C[6a]2)(CN)	N(PCCO)(CN)	C(NC[6a])(NP)	N(C[6a]C[6a]2)(CN)	N(PCCO)(CN)	171.3525	0.064	2	171.3525	0.004	2	171.3525	0.004	2	171.3525	0.004	2	168.4750	279.524	14	168.4750	279.524	14
983	941	941	0:SP1_SP2_SP2	C	N	N	2:2:	4:2:	2:2:	N-2:N-2:	B-4:C-2:	C-2:C-2:	C(NB)(NC)	N(BC[6a]3)(CN)	N(CN)2	C(NB)(NC)	N(BC[6a]3)(CN)	N(CN)2	173.3660	1.277	2	173.3660	1.631	2	173.3660	1.631	2	173.3660	1.631	2	168.4750	279.524	14	168.4750	279.524	14
983	941	941	0:SP1_SP2_SP2	C	N	N	2:2:	4:2:	4:2:	N-2:N-2:	C-4:C-2:	C-4:C-2:	C(NC)2	N(CC[6]HH)(CN)	N(CC[6]HH)(CN)	C(NC)2	N(CC[6]HH)(CN)	N(CC[6]HH)(CN)	170.9945	0.432	2	170.9945	0.187	2	173.8563	24.664	3	175.3922	25.879	4	168.4750	279.524	14	168.4750	279.524	14
983	941	941	0:SP1_SP2_SP2	C	N	N	2:2:	4:2:	4:2:	N-2:N-2:	C-4:C-2:	C-4:C-2:	C(NC)2	N(CC[6a]HH)(CN)	N(CC[6a]HH)(CN)	C(NC)2	N(CC[6a]HH)(CN)	N(CC[6a]HH)(CN)	179.5800	0.000	1	179.5800	0.000	1	173.8563	24.664	3	175.3922	25.879	4	168.4750	279.524	14	168.4750	279.524	14
983	941	941	0:SP1_SP2_SP2	C	N	N	2:2:	4:2:	4:2:	N-2:N-2:	Si-4:C-2:	Si-4:C-2:	C(NSi)2	N(SiC3)(CN)	N(SiC3)(CN)	C(NSi)2	N(SiC3)(CN)	N(SiC3)(CN)	180.0000	0.000	1	180.0000	0.000	1	180.0000	0.000	1	175.3922	25.879	4	168.4750	279.524	14	168.4750	279.524	14
983	941	951	0:SP1_SP-NON_SP2	C	N	H	2:1:	3:2:	2:	N-2:H-1:	C-3:C-2:	C-2:	C(NC)(H)	N(CC[5a]C)(CH)	H(CN)	C(NC)(H)	N(CC[5a]C)(CH)	H(CN)	128.2500	0.000	1	128.2500	0.000	1	128.2500	0.000	1	128.2500	0.000	1	154.1245	1338.980	2	154.1245	1338.980	2
983	941	951	0:SP1_SP-NON_SP2	C	N	H	2:1:	6:2:	2:	N-2:H-1:	As-6:C-2:	C-2:	C(NAs)(H)	N(AsF5)(CH)	H(CN)	C(NAs)(H)	N(AsF5)(CH)	H(CN)	179.9990	0.000	1	179.9990	0.000	1	179.9990	0.000	1	179.9990	0.000	1	154.1245	1338.980	2	154.1245	1338.980	2
983	941	952	0:SP1_SP2_SP3	C	N	S	4:2:	3:2:	3:2:1:1:	S-4:N-2:	C-3:C-2:	C[6]-3:C-2:O-1:O-1:	C(SC[6]OO)(NC)	N(CC[5]O)(CS)	S(C[6]C[6]2)(CN)(O)2	C(SC[6]OO)(NC)	N(CC[5]O)(CS)	S(C[6]C[6]2)(CN)(O)2	111.0710	0.000	1	111.0710	0.000	1	111.0710	0.000	1	111.0710	0.000	1	111.0710	0.000	1	111.0710	0.000	1
983	941	977	0:SP1_SP-NON_SP2	C	N	S	2:1:	2:2:	2:	N-2:S-1:	C-2:P-2:	C-2:	C(NP)(S)	N(CS)(PN)	S(CN)	C(NP)(S)	N(CS)(PN)	S(CN)	176.1750	0.000	1	176.1750	0.000	1	176.1750	0.000	1	176.1750	0.000	1	177.7192	3.525	64	177.7192	3.525	64
983	941	977	0:SP1_SP-NON_SP2	C	N	S	2:1:	3:2:	2:	N-2:S-1:	C[6]-3:C-2:	C-2:	C(NC[6])(S)	N(C[6]C[5,6]C[6])(CS)	S(CN)	C(NC[6])(S)	N(C[6]C[5,6]C[6])(CS)	S(CN)	176.5500	0.000	1	176.5500	0.000	1	176.6545	0.022	2	176.1400	1.292	4	177.7192	3.525	64	177.7192	3.525	64
983	941	977	0:SP1_SP-NON_SP2	C	N	S	2:1:	3:2:	2:	N-2:S-1:	C[6]-3:C-2:	C-2:	C(NC[6])(S)	N(C[6]C[6]2)(CS)	S(CN)	C(NC[6])(S)	N(C[6]C[6]2)(CS)	S(CN)	176.7590	0.000	1	176.7590	0.000	1	176.6545	0.022	2	176.1400	1.292	4	177.7192	3.525	64	177.7192	3.525	64
983	941	977	0:SP1_SP-NON_SP2	C	N	S	2:1:	3:2:	2:	N-2:S-1:	C[6a]-3:C-2:	C-2:	C(NC[6a])(S)	N(C[6a]C[6,6a]C[6a])(CS)	S(CN)	C(NC[6a])(S)	N(C[6a]C[6,6a]C[6a])(CS)	S(CN)	174.4430	0.000	1	174.4430	0.000	1	174.4430	0.000	1	176.1400	1.292	4	177.7192	3.525	64	177.7192	3.525	64
983	941	977	0:SP1_SP-NON_SP2	C	N	S	2:1:	3:2:	2:	N-2:S-1:	P-3:C-2:	C-2:	C(NP)(S)	N(POO)(CS)	S(CN)	C(NP)(S)	N(POO)(CS)	S(CN)	176.8080	0.000	1	176.8080	0.000	1	176.8080	0.000	1	176.1400	1.292	4	177.7192	3.525	64	177.7192	3.525	64
983	941	977	0:SP1_SP-NON_SP2	C	N	S	2:1:	4:2:	2:	N-2:S-1:	B-4:C-2:	C-2:	C(NB)(S)	N(BC[5]HH)(CS)	S(CN)	C(NB)(S)	N(BC[5]HH)(CS)	S(CN)	178.2190	0.000	1	178.2190	0.000	1	178.8106	0.659	7	176.6144	4.495	27	177.7192	3.525	64	177.7192	3.525	64
983	941	977	0:SP1_SP-NON_SP2	C	N	S	2:1:	4:2:	2:	N-2:S-1:	B-4:C-2:	C-2:	C(NB)(S)	N(BN3)(CS)	S(CN)	C(NB)(S)	N(BN3)(CS)	S(CN)	179.4260	0.168	4	179.4260	0.028	4	178.8106	0.659	7	176.6144	4.495	27	177.7192	3.525	64	177.7192	3.525	64
983	941	977	0:SP1_SP-NON_SP2	C	N	S	2:1:	4:2:	2:	N-2:S-1:	B-4:C-2:	C-2:	C(NB)(S)	N(BN[5]3)(CS)	S(CN)	C(NB)(S)	N(BN[5]3)(CS)	S(CN)	177.8755	0.503	2	177.8755	0.253	2	178.8106	0.659	7	176.6144	4.495	27	177.7192	3.525	64	177.7192	3.525	64
983	941	977	0:SP1_SP-NON_SP2	C	N	S	2:1:	4:2:	2:	N-2:S-1:	C-4:C-2:	C-2:	C(NC)(S)	N(CC3)(CS)	S(CN)	C(NC)(S)	N(CC3)(CS)	S(CN)	173.5765	1.016	2	173.5765	1.032	2	176.1446	2.818	17	176.6144	4.495	27	177.7192	3.525	64	177.7192	3.525	64
983	941	977	0:SP1_SP-NON_SP2	C	N	S	2:1:	4:2:	2:	N-2:S-1:	C-4:C-2:	C-2:	C(NC)(S)	N(CCHH)(CS)	S(CN)	C(NC)(S)	N(CCHH)(CS)	S(CN)	176.2461	1.577	11	176.2461	2.488	11	176.1446	2.818	17	176.6144	4.495	27	177.7192	3.525	64	177.7192	3.525	64
983	941	977	0:SP1_SP-NON_SP2	C	N	S	2:1:	4:2:	2:	N-2:S-1:	C-4:C-2:	C-2:	C(NC)(S)	N(CC[6a]2C)(CS)	S(CN)	C(NC)(S)	N(CC[6a]2C)(CS)	S(CN)	176.4390	0.000	1	176.4390	0.000	1	176.1446	2.818	17	176.6144	4.495	27	177.7192	3.525	64	177.7192	3.525	64
983	941	977	0:SP1_SP-NON_SP2	C	N	S	2:1:	4:2:	2:	N-2:S-1:	C-4:C-2:	C-2:	C(NC)(S)	N(CC[6a]2H)(CS)	S(CN)	C(NC)(S)	N(CC[6a]2H)(CS)	S(CN)	177.7760	0.499	2	177.7760	0.249	2	176.1446	2.818	17	176.6144	4.495	27	177.7192	3.525	64	177.7192	3.525	64
983	941	977	0:SP1_SP-NON_SP2	C	N	S	2:1:	4:2:	2:	N-2:S-1:	C-4:C-2:	C-2:	C(NC)(S)	N(CC[6a]C[5]H)(CS)	S(CN)	C(NC)(S)	N(CC[6a]C[5]H)(CS)	S(CN)	176.6070	0.000	1	176.6070	0.000	1	176.1446	2.818	17	176.6144	4.495	27	177.7192	3.525	64	177.7192	3.525	64
983	941	977	0:SP1_SP-NON_SP2	C	N	S	2:1:	4:2:	2:	N-2:S-1:	C[5]-4:C-2:	C-2:	C(NC[5])(S)	N(C[5]C[5,6a]C[6a]C[5])(CS)	S(CN)	C(NC[5])(S)	N(C[5]C[5,6a]C[6a]C[5])(CS)	S(CN)	173.0810	0.000	1	173.0810	0.000	1	173.0810	0.000	1	176.6144	4.495	27	177.7192	3.525	64	177.7192	3.525	64
983	941	977	0:SP1_SP-NON_SP2	C	N	S	2:1:	4:2:	2:	N-2:S-1:	C[6]-4:C-2:	C-2:	C(NC[6])(S)	N(C[6]C[6]2H)(CS)	S(CN)	C(NC[6])(S)	N(C[6]C[6]2H)(CS)	S(CN)	176.9690	0.000	1	176.9690	0.000	1	174.6880	10.406	2	176.6144	4.495	27	177.7192	3.525	64	177.7192	3.525	64
983	941	977	0:SP1_SP-NON_SP2	C	N	S	2:1:	4:2:	2:	N-2:S-1:	C[6]-4:C-2:	C-2:	C(NC[6])(S)	N(C[6]C[6a]C[6]2)(CS)	S(CN)	C(NC[6])(S)	N(C[6]C[6a]C[6]2)(CS)	S(CN)	172.4070	0.000	1	172.4070	0.000	1	174.6880	10.406	2	176.6144	4.495	27	177.7192	3.525	64	177.7192	3.525	64
983	941	977	0:SP1_SP-NON_SP2	C	N	S	2:1:	5:2:	2:	N-2:S-1:	Ga[5,5]-5:C-2:	C-2:	C(NGa[5,5])(S)	N(Ga[5,5]N[5]2O[5]2)(CS)	S(CN)	C(NGa[5,5])(S)	N(Ga[5,5]N[5]2O[5]2)(CS)	S(CN)	179.0140	0.100	2	179.0140	0.010	2	179.0140	0.010	2	178.6401	0.642	7	177.7192	3.525	64	177.7192	3.525	64
983	941	977	0:SP1_SP-NON_SP2	C	N	S	2:1:	5:2:	2:	N-2:S-1:	P[5]-5:C-2:	C-2:	C(NP[5])(S)	N(P[5]N[5]O[5]OO)(CS)	S(CN)	C(NP[5])(S)	N(P[5]N[5]O[5]OO)(CS)	S(CN)	177.4840	0.000	1	177.4840	0.000	1	178.2395	1.142	2	178.6401	0.642	7	177.7192	3.525	64	177.7192	3.525	64
983	941	977	0:SP1_SP-NON_SP2	C	N	S	2:1:	5:2:	2:	N-2:S-1:	P[5]-5:C-2:	C-2:	C(NP[5])(S)	N(P[5]O[5]2OO)(CS)	S(CN)	C(NP[5])(S)	N(P[5]O[5]2OO)(CS)	S(CN)	178.9950	0.000	1	178.9950	0.000	1	178.2395	1.142	2	178.6401	0.642	7	177.7192	3.525	64	177.7192	3.525	64
983	941	977	0:SP1_SP-NON_SP2	C	N	S	2:1:	5:2:	2:	N-2:S-1:	Si[4]-5:C-2:	C-2:	C(NSi[4])(S)	N(Si[4]N[4,6]C[6a]N[6]S[4])(CS)	S(CN)	C(NSi[4])(S)	N(Si[4]N[4,6]C[6a]N[6]S[4])(CS)	S(CN)	179.5540	0.000	1	179.5540	0.000	1	179.5540	0.000	1	178.6401	0.642	7	177.7192	3.525	64	177.7192	3.525	64
983	941	977	0:SP1_SP-NON_SP2	C	N	S	2:1:	5:2:	2:	N-2:S-1:	Si[5,5]-5:C-2:	C-2:	C(NSi[5,5])(S)	N(Si[5,5]N[5,5]N[5,6]C[6a]S[5])(CS)	S(CN)	C(NSi[5,5])(S)	N(Si[5,5]N[5,5]N[5,6]C[6a]S[5])(CS)	S(CN)	178.2100	0.946	2	178.2100	0.895	2	178.2100	0.895	2	178.6401	0.642	7	177.7192	3.525	64	177.7192	3.525	64
983	941	977	0:SP1_SP-NON_SP2	C	N	S	2:1:	6:2:	2:	N-2:S-1:	Ga-6:C-2:	C-2:	C(NGa)(S)	N(GaN[6]2N3)(CS)	S(CN)	C(NGa)(S)	N(GaN[6]2N3)(CS)	S(CN)	178.9665	0.632	6	178.9665	0.400	6	178.9665	0.400	6	178.9690	0.300	25	177.7192	3.525	64	177.7192	3.525	64
983	941	977	0:SP1_SP-NON_SP2	C	N	S	2:1:	6:2:	2:	N-2:S-1:	In-6:C-2:	C-2:	C(NIn)(S)	N(InN[6]2N3)(CS)	S(CN)	C(NIn)(S)	N(InN[6]2N3)(CS)	S(CN)	178.5320	0.475	2	178.5320	0.226	2	178.5320	0.226	2	178.9690	0.300	25	177.7192	3.525	64	177.7192	3.525	64
983	941	977	0:SP1_SP-NON_SP2	C	N	S	2:1:	6:2:	2:	N-2:S-1:	Si-6:C-2:	C-2:	C(NSi)(S)	N(SiN3OO)(CS)	S(CN)	C(NSi)(S)	N(SiN3OO)(CS)	S(CN)	178.9240	0.194	2	178.9240	0.038	2	178.9684	0.160	5	178.9690	0.300	25	177.7192	3.525	64	177.7192	3.525	64
983	941	977	0:SP1_SP-NON_SP2	C	N	S	2:1:	6:2:	2:	N-2:S-1:	Si-6:C-2:	C-2:	C(NSi)(S)	N(SiN5)(CS)	S(CN)	C(NSi)(S)	N(SiN5)(CS)	S(CN)	178.9980	0.546	3	178.9980	0.298	3	178.9684	0.160	5	178.9690	0.300	25	177.7192	3.525	64	177.7192	3.525	64
983	941	977	0:SP1_SP-NON_SP2	C	N	S	2:1:	6:2:	2:	N-2:S-1:	Si[4,4]-6:C-2:	C-2:	C(NSi[4,4])(S)	N(Si[4,4]N[4]4N)(CS)	S(CN)	C(NSi[4,4])(S)	N(Si[4,4]N[4]4N)(CS)	S(CN)	178.7490	0.511	2	178.7490	0.261	2	178.7490	0.261	2	178.9690	0.300	25	177.7192	3.525	64	177.7192	3.525	64
983	941	977	0:SP1_SP-NON_SP2	C	N	S	2:1:	6:2:	2:	N-2:S-1:	Si[4,5]-6:C-2:	C-2:	C(NSi[4,5])(S)	N(Si[4,5]N[5,6]N[4]2O[5]N)(CS)	S(CN)	C(NSi[4,5])(S)	N(Si[4,5]N[5,6]N[4]2O[5]N)(CS)	S(CN)	179.3695	0.334	2	179.3695	0.112	2	179.3695	0.112	2	178.9690	0.300	25	177.7192	3.525	64	177.7192	3.525	64
983	941	977	0:SP1_SP-NON_SP2	C	N	S	2:1:	6:2:	2:	N-2:S-1:	Si[5,6,6]-6:C-2:	C-2:	C(NSi[5,6,6])(S)	N(Si[5,6,6]N[5,6]2O[6]2C)(CS)	S(CN)	C(NSi[5,6,6])(S)	N(Si[5,6,6]N[5,6]2O[6]2C)(CS)	S(CN)	179.5730	0.000	1	179.5730	0.000	1	178.8630	0.438	6	178.9690	0.300	25	177.7192	3.525	64	177.7192	3.525	64
983	941	977	0:SP1_SP-NON_SP2	C	N	S	2:1:	6:2:	2:	N-2:S-1:	Si[5,6,6]-6:C-2:	C-2:	C(NSi[5,6,6])(S)	N(Si[5,6,6]N[5,6]2O[6]2N)(CS)	S(CN)	C(NSi[5,6,6])(S)	N(Si[5,6,6]N[5,6]2O[6]2N)(CS)	S(CN)	178.7210	0.630	5	178.7210	0.397	5	178.8630	0.438	6	178.9690	0.300	25	177.7192	3.525	64	177.7192	3.525	64
983	941	977	0:SP1_SP-NON_SP2	C	N	S	2:1:	6:2:	2:	N-2:S-1:	Si[6,6]-6:C-2:	C-2:	C(NSi[6,6])(S)	N(Si[6,6]N[6]2O[6]2N)(CS)	S(CN)	C(NSi[6,6])(S)	N(Si[6,6]N[6]2O[6]2N)(CS)	S(CN)	179.5530	0.467	2	179.5530	0.218	2	179.5530	0.218	2	178.9690	0.300	25	177.7192	3.525	64	177.7192	3.525	64
983	941	979	0:SP1_SP2_SP2	C	N	Si	3:2:	4:2:	3:4:2:	Si-3:N-2:	C-4:C-2:	Si-3:Si-4:C-2:	C(SiSi2)(NC)	N(CC3)(CSi)	Si(SiSiC)(SiC3)(CN)	C(SiSi2)(NC)	N(CC3)(CSi)	Si(SiSiC)(SiC3)(CN)	171.2495	7.422	2	171.2495	55.094	2	171.2495	55.094	2	171.0803	18.417	4	171.0803	18.417	4	171.0803	18.417	4
983	941	979	0:SP1_SP2_SP2	C	N	Si	3:2:	4:2:	3:4:2:	Si-3:N-2:	Si-4:C-2:	Si-3:Si-4:C-2:	C(SiSi2)(NSi)	N(SiC3)(CSi)	Si(SiSiC)(SiC3)(CN)	C(SiSi2)(NSi)	N(SiC3)(CSi)	Si(SiSiC)(SiC3)(CN)	170.9110	0.211	2	170.9110	0.044	2	170.9110	0.044	2	171.0803	18.417	4	171.0803	18.417	4	171.0803	18.417	4
983	941	983	0:SP1_SP1_SP2	C	N	C	2:2:	2:2:	2:1:	C-2:N-2:	C-2:C-2:	C-2:N-1:	C(CN)(NC)	N(CC)2	C(CN)(N)	C(CN)(NC)	N(CC)2	C(CN)(N)	109.4564	6.777	8	109.4564	45.922	8	109.4564	45.922	8	109.4564	45.922	8	120.7768	681.757	12	120.7768	681.757	12
983	941	983	0:SP1_SP1_SP2	C	N	C	2:2:	2:2:	2:2:	C-2:N-2:	C-2:C-2:	C-2:N-2:	C(CN)(NC)	N(CC[6])(CC)	C(CN)(NC)	C(CN)(NC)	N(CC[6])(CC)	C(CN)(NC)	111.5060	2.806	2	111.5060	7.873	2	111.5060	7.873	2	111.5060	7.873	2	120.7768	681.757	12	120.7768	681.757	12
983	941	983	0:SP1_SP1_SP2	C	N	C	2:2:	3:2:	4:2:	C-2:N-2:	C-3:C-2:	C[6]-4:C-2:	C(CC[6])(NC)	N(CC[6a]2)(CC)	C(C[6]C[6]2H)(CN)	C(CC[6])(NC)	N(CC[6a]2)(CC)	C(C[6]C[6]2H)(CN)	172.0880	0.000	1	172.0880	0.000	1	172.0880	0.000	1	172.0880	0.000	1	120.7768	681.757	12	120.7768	681.757	12
983	941	983	0:SP1_SP1_SP2	C	N	C	2:2:	4:2:	2:2:	N-2:C-2:	Nb-4:C-2:	N-2:C-2:	C(NNb)(CN)	N(NbN3)(CC)	C(NNb)(CN)	C(NNb)(CN)	N(NbN3)(CC)	C(NNb)(CN)	178.5700	0.000	1	178.5700	0.000	1	178.5700	0.000	1	178.5700	0.000	1	120.7768	681.757	12	120.7768	681.757	12
983	941	984	0:SP1_SP-NON_SP2	C	N	Ga	2:4:	3:2:	4:4:4:2:	N-2:Ga-4:	C[6a]-3:C-2:	C-4:C-4:C-4:C-2:	C(NC[6a])(GaC3)	N(C[6a]C[6a]2)(CGa)	Ga(CC3)3(CN)	C(NC[6a])(GaC3)	N(C[6a]C[6a]2)(CGa)	Ga(CC3)3(CN)	175.1550	0.000	1	175.1550	0.000	1	175.1550	0.000	1	175.1550	0.000	1	175.5110	6.629	4	175.5110	6.629	4
983	941	984	0:SP1_SP-NON_SP2	C	N	Ga	4:2:	4:2:	2:1:1:1:	Ga-4:N-2:	C-4:C-2:	C-2:Cl-1:Cl-1:Cl-1:	C(GaCl3)(NC)	N(CC3)(CGa)	Ga(CN)(Cl)3	C(GaCl3)(NC)	N(CC3)(CGa)	Ga(CN)(Cl)3	179.2450	0.000	1	179.2450	0.000	1	179.2450	0.000	1	179.2450	0.000	1	175.5110	6.629	4	175.5110	6.629	4
983	941	984	0:SP1_SP-NON_SP2	C	N	Ga	4:2:	4:2:	4:4:4:2:	Ga-4:N-2:	C-4:C-2:	C-4:C-4:C-4:C-2:	C(GaC3)(NC)	N(CC3)(CGa)	Ga(CC3)3(CN)	C(GaC3)(NC)	N(CC3)(CGa)	Ga(CC3)3(CN)	173.8220	0.335	2	173.8220	0.112	2	173.8220	0.112	2	173.8220	0.112	2	175.5110	6.629	4	175.5110	6.629	4
983	941	989	0:SP1_SP2_SP2	C	N	Si[5]	3:2:	3:2:	4:4:2:	Si[5]-3:N-2:	C[6a]-3:C-2:	C[5]-4:C[5]-4:C-2:	C(Si[5]C[5]2)(NC[6a])	N(C[6a]C[6a]2)(CSi[5])	Si[5](C[5]C[5]Si2)2(CN)	C(Si[5]C[5]2)(NC[6a])	N(C[6a]C[6a]2)(CSi[5])	Si[5](C[5]C[5]Si2)2(CN){4|H<1>}	164.7510	0.000	1	164.7510	0.000	1	164.7510	0.000	1	164.7510	0.000	1	164.7510	0.000	1	164.7510	0.000	1
983	944	983	0:SP1_SP-NON_SP1	C	I	C	2:1:	2:	2:1:	C-2:I-1:	C-2:	C-2:I-1:	C(CI)(I)	I(CC)	C(CI)(I)	C(CI)(I)	I(CC)	C(CI)(I)	177.2871	1.631	17	177.2871	2.661	17	177.2871	2.661	17	177.2871	2.661	17	176.2137	28.230	165	176.2137	28.230	165
983	944	983	0:SP1_SP-NON_SP1	C	I	C	2:1:	2:	2:2:	C-2:I-1:	C-2:	C-2:C-2:	C(CC)(I)	I(CC)	C(CC)(CI)	C(CC)(I)	I(CC)	C(CC)(CI)	169.5300	17.200	13	169.5300	295.842	13	169.5300	295.842	13	169.5300	295.842	13	176.2137	28.230	165	176.2137	28.230	165
983	944	983	0:SP1_SP-NON_SP1	C	I	C	2:1:	2:	3:2:	C-2:I-1:	C-2:	C-3:C-2:	C(CC)(I)	I(CC)	C(CNO)(CI)	C(CC)(I)	I(CC)	C(CNO)(CI)	176.7945	0.128	2	176.7945	0.016	2	177.4766	2.297	5	176.6456	3.249	108	176.2137	28.230	165	176.2137	28.230	165
983	944	983	0:SP1_SP-NON_SP1	C	I	C	2:1:	2:	3:2:	C-2:I-1:	C-2:	C-3:C-2:	C(CC)(I)	I(CC)	C(CN[5]O)(CI)	C(CC)(I)	I(CC)	C(CN[5]O)(CI)	175.6800	0.000	1	175.6800	0.000	1	177.4766	2.297	5	176.6456	3.249	108	176.2137	28.230	165	176.2137	28.230	165
983	944	983	0:SP1_SP-NON_SP1	C	I	C	2:1:	2:	3:2:	C-2:I-1:	C-2:	C-3:C-2:	C(CC)(I)	I(CC)	C(CN[6]O)(CI)	C(CC)(I)	I(CC)	C(CN[6]O)(CI)	179.0570	0.139	2	179.0570	0.019	2	177.4766	2.297	5	176.6456	3.249	108	176.2137	28.230	165	176.2137	28.230	165
983	944	983	0:SP1_SP-NON_SP1	C	I	C	2:1:	2:	3:2:	C-2:I-1:	C-2:	C[5a]-3:C-2:	C(CC[5a])(I)	I(CC)	C(C[5a]N[5a]2)(CI)	C(CC[5a])(I)	I(CC)	C(C[5a]N[5a]2)(CI)	175.9739	1.505	7	175.9739	2.266	7	175.9739	2.266	7	176.6456	3.249	108	176.2137	28.230	165	176.2137	28.230	165
983	944	983	0:SP1_SP-NON_SP1	C	I	C	2:1:	2:	3:2:	C-2:I-1:	C-2:	C[6a]-3:C-2:	C(CC[6a])(I)	I(CC)	C(C[6a]C[6a,6a]C[6a])(CI)	C(CC[6a])(I)	I(CC)	C(C[6a]C[6a,6a]C[6a])(CI)	177.5202	1.286	9	177.5202	1.653	9	176.6513	3.350	96	176.6456	3.249	108	176.2137	28.230	165	176.2137	28.230	165
983	944	983	0:SP1_SP-NON_SP1	C	I	C	2:1:	2:	3:2:	C-2:I-1:	C-2:	C[6a]-3:C-2:	C(CC[6a])(I)	I(CC)	C(C[6a]C[6a]2)(CI)	C(CC[6a])(I)	I(CC)	C(C[6a]C[6a]2)(CI)	176.5965	1.905	73	176.5965	3.628	73	176.6513	3.350	96	176.6456	3.249	108	176.2137	28.230	165	176.2137	28.230	165
983	944	983	0:SP1_SP-NON_SP1	C	I	C	2:1:	2:	3:2:	C-2:I-1:	C-2:	C[6a]-3:C-2:	C(CC[6a])(I)	I(CC)	C(C[6a]C[6a]N[6a])(CI)	C(CC[6a])(I)	I(CC)	C(C[6a]C[6a]N[6a])(CI)	176.3784	1.659	14	176.3784	2.753	14	176.6513	3.350	96	176.6456	3.249	108	176.2137	28.230	165	176.2137	28.230	165
983	944	983	0:SP1_SP-NON_SP1	C	I	C	2:1:	2:	4:2:	C-2:I-1:	C-2:	C-4:C-2:	C(CC)(I)	I(CC)	C(CC[6a]3)(CI)	C(CC)(I)	I(CC)	C(CC[6a]3)(CI)	174.8550	0.000	1	174.8550	0.000	1	177.1663	2.135	9	177.0283	1.958	27	176.2137	28.230	165	176.2137	28.230	165
983	944	983	0:SP1_SP-NON_SP1	C	I	C	2:1:	2:	4:2:	C-2:I-1:	C-2:	C-4:C-2:	C(CC)(I)	I(CC)	C(CHHO)(CI)	C(CC)(I)	I(CC)	C(CHHO)(CI)	177.6939	1.146	7	177.6939	1.314	7	177.1663	2.135	9	177.0283	1.958	27	176.2137	28.230	165	176.2137	28.230	165
983	944	983	0:SP1_SP-NON_SP1	C	I	C	2:1:	2:	4:2:	C-2:I-1:	C-2:	C-4:C-2:	C(CC)(I)	I(CC)	C(CN[6]HH)(CI)	C(CC)(I)	I(CC)	C(CN[6]HH)(CI)	175.7850	0.000	1	175.7850	0.000	1	177.1663	2.135	9	177.0283	1.958	27	176.2137	28.230	165	176.2137	28.230	165
983	944	983	0:SP1_SP-NON_SP1	C	I	C	2:1:	2:	4:2:	C-2:I-1:	C-2:	C[3x6]-4:C-2:	C(CC[3x6])(I)	I(CC)	C(C[3x6]C[6,6]3)(CI)	C(CC[3x6])(I)	I(CC)	C(C[3x6]C[6,6]3)(CI)	177.3624	0.818	8	177.3624	0.668	8	177.3624	0.668	8	177.0283	1.958	27	176.2137	28.230	165	176.2137	28.230	165
983	944	983	0:SP1_SP-NON_SP1	C	I	C	2:1:	2:	4:2:	C-2:I-1:	C-2:	C[6]-4:C-2:	C(CC[6])(I)	I(CC)	C(C[6]C[6]2O)(CI)	C(CC[6])(I)	I(CC)	C(C[6]C[6]2O)(CI)	176.6369	1.718	10	176.6369	2.950	10	176.6369	2.950	10	177.0283	1.958	27	176.2137	28.230	165	176.2137	28.230	165
983	945	983	0:SP1_SP1_SP3	C	P	C	3:2:	2:2:2:	3:2:	P-3:C-2:	C-2:C-2:C-2:	As-3:C-2:	C(PCC)(CAs)	P(CC)(CW)2	C(AsC[6a]2)(CP)	C(PCC)(CAs)	P(CC)(CW)2	C(AsC[6a]2)(CP)	169.9920	0.000	1	169.9920	0.000	1	169.9920	0.000	1	169.9920	0.000	1	170.5637	8.801	13	170.5637	8.801	13
983	945	983	0:SP1_SP1_SP3	C	P	C	3:2:	3:2:1:	4:2:	P-3:C-2:	C[6a]-3:C-2:Cl-1:	C-4:C-2:	C(PC[6a]Cl)(CC)	P(C[6a]C[6a]2)(CC)(Cl)	C(CC3)(CP)	C(PC[6a]Cl)(CC)	P(C[6a]C[6a]2)(CC)(Cl)	C(CC3)(CP)	169.0730	0.000	1	169.0730	0.000	1	169.0730	0.000	1	169.0730	0.000	1	170.5637	8.801	13	170.5637	8.801	13
983	945	983	0:SP1_SP1_SP3	C	P	C	3:2:	3:2:2:	3:2:	P-3:C-2:	C[6a]-3:C-2:C-2:	C[6a]-3:C-2:	C(PC[6a]C)(CC[6a])	P(C[6a]C[6a]2)(CC)(CW)	C(C[6a]C[6a]2)(CP)	C(PC[6a]C)(CC[6a])	P(C[6a]C[6a]2)(CC)(CW)	C(C[6a]C[6a]2)(CP)	172.3090	0.000	1	172.3090	0.000	1	172.3090	0.000	1	172.3090	0.000	1	170.5637	8.801	13	170.5637	8.801	13
983	945	983	0:SP1_SP1_SP3	C	P	C	3:2:	3:2:2:	4:2:	P-3:C-2:	C[6a]-3:C-2:C-2:	Si-4:C-2:	C(PC[6a]C)(CSi)	P(C[6a]C[6a]2)(CC)(CW)	C(SiC3)(CP)	C(PC[6a]C)(CSi)	P(C[6a]C[6a]2)(CC)(CW)	C(SiC3)(CP)	171.7370	0.000	1	171.7370	0.000	1	171.9350	0.078	2	171.9350	0.078	2	170.5637	8.801	13	170.5637	8.801	13
983	945	983	0:SP1_SP1_SP3	C	P	C	3:2:	3:2:2:	4:2:	P-3:C-2:	C[6a]-3:C-2:C-2:	Si-4:C-2:	C(PC[6a]C)(CSi)	P(C[6a]C[6a]2)(CMo)(CC)	C(SiC3)(CP)	C(PC[6a]C)(CSi)	P(C[6a]C[6a]2)(CMo)(CC)	C(SiC3)(CP)	172.1330	0.000	1	172.1330	0.000	1	171.9350	0.078	2	171.9350	0.078	2	170.5637	8.801	13	170.5637	8.801	13
983	945	983	0:SP1_SP1_SP3	C	P	C	3:2:	3:3:2:	3:2:	P-3:C-2:	C[5]-3:N-3:C-2:	C[6a]-3:C-2:	C(PC[5]N)(CC[6a])	P(C[5]C[5]P[5])(NCC)(CC)	C(C[6a]C[6a]2)(CP)	C(PC[5]N)(CC[6a])	P(C[5]C[5]P[5])(NCC)(CC)	C(C[6a]C[6a]2)(CP)	168.1280	0.000	1	168.1280	0.000	1	168.1280	0.000	1	169.2552	19.951	4	170.5637	8.801	13	170.5637	8.801	13
983	945	983	0:SP1_SP1_SP3	C	P	C	3:2:	3:3:2:	3:2:	P-3:C-2:	C[6]-3:C[6a]-3:C-2:	C[6a]-3:C-2:	C(PC[6a]C[6])(CC[6a])	P(C[6]B[6]C[6])(C[6a]C[6a]2)(CC)	C(C[6a]C[6a]2)(CP)	C(PC[6a]C[6])(CC[6a])	P(C[6]B[6]C[6])(C[6a]C[6a]2)(CC)	C(C[6a]C[6a]2)(CP)	175.5560	0.000	1	175.5560	0.000	1	175.5560	0.000	1	169.2552	19.951	4	170.5637	8.801	13	170.5637	8.801	13
983	945	983	0:SP1_SP1_SP3	C	P	C	3:2:	3:3:2:	3:2:	P-3:C-2:	C[6a]-3:C[5a]-3:C-2:	C[6a]-3:C-2:	C(PC[5a]C[6a])(CC[6a])	P(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])(CC)	C(C[6a]C[6a]2)(CP)	C(PC[5a]C[6a])(CC[6a])	P(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])(CC)	C(C[6a]C[6a]2)(CP)	168.3270	0.000	1	168.3270	0.000	1	168.3270	0.000	1	169.2552	19.951	4	170.5637	8.801	13	170.5637	8.801	13
983	945	983	0:SP1_SP1_SP3	C	P	C	3:2:	3:3:2:	3:2:	P-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-2:	C(PC[6a]2)(CC[6a])	P(C[6a]C[6a]2)2(CC)	C(C[6a]C[6a]2)(CP)	C(PC[6a]2)(CC[6a])	P(C[6a]C[6a]2)2(CC)	C(C[6a]C[6a]2)(CP)	165.0100	0.000	1	165.0100	0.000	1	165.0100	0.000	1	169.2552	19.951	4	170.5637	8.801	13	170.5637	8.801	13
983	945	983	0:SP1_SP1_SP3	C	P	C	3:2:	3:3:2:	4:2:	P-3:C-2:	C[6a]-3:C[6a]-3:C-2:	P-4:C-2:	C(PC[6a]2)(CP)	P(C[6a]C[6a]2)2(CC)	C(PC[6a]2N)(CP)	C(PC[6a]2)(CP)	P(C[6a]C[6a]2)2(CC)	C(PC[6a]2N)(CP)	172.2050	0.000	1	172.2050	0.000	1	172.2050	0.000	1	169.6610	12.944	2	170.5637	8.801	13	170.5637	8.801	13
983	945	983	0:SP1_SP1_SP3	C	P	C	3:2:	3:3:2:	4:2:	P-3:C-2:	C[6a]-3:N-3:C-2:	C-4:C-2:	C(PC[6a]N)(CC)	P(C[6a]C[6a]2)(NC[6a]2)(CC)	C(CC3)(CP)	C(PC[6a]N)(CC)	P(C[6a]C[6a]2)(NC[6a]2)(CC)	C(CC3)(CP)	167.1170	0.000	1	167.1170	0.000	1	167.1170	0.000	1	169.6610	12.944	2	170.5637	8.801	13	170.5637	8.801	13
983	945	983	0:SP1_SP1_SP3	C	P	C	3:2:	4:2:2:	2:1:	P-3:C-2:	C[6]-4:C-2:C-2:	C-2:H-1:	C(PC[6]C)(CH)	P(C[6]C[6]2H)(CC)(CW)	C(CP)(H)	C(PC[6]C)(CH)	P(C[6]C[6]2H)(CC)(CW)	C(CP)(H)	174.3300	0.000	1	174.3300	0.000	1	174.3300	0.000	1	174.3300	0.000	1	170.5637	8.801	13	170.5637	8.801	13
983	945	983	0:SP1_SP1_SP3	C	P	C	3:2:	4:4:2:	3:2:	P-3:C-2:	C[6]-4:C[6]-4:C-2:	N-3:C-2:	C(PC[6]2)(CN)	P(C[6]C[6]2H)2(CC)	C(NPP)(CP)	C(PC[6]2)(CN)	P(C[6]C[6]2H)2(CC)	C(NPP)(CP)	171.4110	0.000	1	171.4110	0.000	1	171.4110	0.000	1	171.4110	0.000	1	170.5637	8.801	13	170.5637	8.801	13
983	951	951	0:SP1_SP-NON_SP-NON	C	H	H	1:1:	2:	2:	H-1:H-1:	C-2:	C-2:	C(H)2	H(CH)	H(CH)	C(H)2	H(CH)	H(CH)	110.2069	5.102	67	110.2069	26.033	67	110.2069	26.033	67	110.2069	26.033	67	110.2069	26.033	67	110.2069	26.033	67
983	951	956	0:SP1_SP-NON_SP2	C	H	N	3:1:	2:	4:3:2:	N-3:H-1:	C-2:	C-4:C-3:C-2:	C(NCC)(H)	H(CN)	N(CH3)(CCH)(CH)	C(NCC)(H)	H(CN)	N(CH3)(CCH)(CH)	123.5170	0.000	1	123.5170	0.000	1	123.5170	0.000	1	117.0790	82.896	2	123.7563	175.208	3	123.7563	175.208	3
983	951	956	0:SP1_SP-NON_SP2	C	H	N	3:1:	2:	4:3:2:	N-3:H-1:	C-2:	P[6]-4:C-3:C-2:	C(NP[6]C)(H)	H(CN)	N(P[6]N[6]2N)(CHH)(CH)	C(NP[6]C)(H)	H(CN)	N(P[6]N[6]2N)(CHH)(CH)	110.6410	0.000	1	110.6410	0.000	1	110.6410	0.000	1	117.0790	82.896	2	123.7563	175.208	3	123.7563	175.208	3
983	951	956	0:SP1_SP-NON_SP2	C	H	N	3:1:	2:	4:4:2:	N-3:H-1:	C-2:	C-4:C-4:C-2:	C(NCC)(H)	H(CN)	N(CH3)2(CH)	C(NCC)(H)	H(CN)	N(CH3)2(CH)	137.1110	0.000	1	137.1110	0.000	1	137.1110	0.000	1	137.1110	0.000	1	123.7563	175.208	3	123.7563	175.208	3
983	951	956	0:SP1_SP-NON_SP3	C	H	N	3:1:	2:	3:2:2:	N-3:H-1:	C-2:	C[6]-3:C-2:C-2:	C(NC[6]C)(H)	H(CN)	N(C[6]C[6]2)(CH)2	C(NC[6]C)(H)	H(CN)	N(C[6]C[6]2)(CH)2	98.8484	0.186	2	98.8484	0.035	2	98.8484	0.035	2	98.8484	0.035	2	107.1775	123.655	5	107.1775	123.655	5
983	951	956	0:SP1_SP-NON_SP3	C	H	N	3:1:	2:	4:2:2:	N-3:H-1:	C-2:	P[6]-4:C-2:C-2:	C(NP[6]C)(H)	H(CN)	N(P[6]N[6]2N)(CH)2	C(NP[6]C)(H)	H(CN)	N(P[6]N[6]2N)(CH)2	109.4983	14.166	2	109.4983	200.669	2	109.4983	200.669	2	109.4983	200.669	2	107.1775	123.655	5	107.1775	123.655	5
983	951	956	0:SP1_SP-NON_SP3	C	H	N	3:1:	2:	4:4:2:	N-3:H-1:	C-2:	P[6]-4:C-4:C-2:	C(NP[6]C)(H)	H(CN)	N(P[6]N[6]2N)(CH3)(CH)	C(NP[6]C)(H)	H(CN)	N(P[6]N[6]2N)(CH3)(CH)	119.1940	0.000	1	119.1940	0.000	1	119.1940	0.000	1	119.1940	0.000	1	107.1775	123.655	5	107.1775	123.655	5
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	2:1:	C-2:H-1:	C-2:	C-2:C-1:	C(CC)(H)	H(CC)	C(CH)(C)	C(CC)(H)	H(CC)	C(CH)(C)	107.3270	0.000	1	107.3270	0.000	1	107.3270	0.000	1	135.5645	966.777	23	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	2:1:	C-2:H-1:	C-2:	C-2:H-1:	C(CH)(H)	H(CC)	C(CH)(H)	C(CH)(H)	H(CC)	C(CH)(H)	140.3766	30.834	17	140.3766	950.749	17	140.3766	950.749	17	135.5645	966.777	23	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	2:1:	C-2:H-1:	C-2:	C-2:N-1:	C(CN)(H)	H(CC)	C(CH)(N)	C(CN)(H)	H(CC)	C(CH)(N)	111.1449	13.354	4	111.1449	178.335	4	111.1449	178.335	4	135.5645	966.777	23	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	2:1:	C-2:H-1:	C-2:	C-2:O-1:	C(CO)(H)	H(CC)	C(CH)(O)	C(CO)(H)	H(CC)	C(CH)(O)	179.6760	0.000	1	179.6760	0.000	1	179.6760	0.000	1	135.5645	966.777	23	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	2:2:	C-2:H-1:	C-2:	C-2:C-2:	C(CC)(H)	H(CC)	C(CC)(CH)	C(CC)(H)	H(CC)	C(CC)(CH)	179.2091	1.320	36	179.2091	1.742	36	179.2091	1.742	36	177.4938	116.082	38	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	2:2:	C-2:H-1:	C-2:	I-2:C-2:	C(CI)(H)	H(CC)	C(IC[6a])(CH)	C(CI)(H)	H(CC)	C(IC[6a])(CH)	179.9470	0.000	1	179.9470	0.000	1	179.9470	0.000	1	177.4938	116.082	38	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	2:2:	C-2:H-1:	C-2:	N-2:C-2:	C(CN)(H)	H(CC)	C(NNi)(CH)	C(CN)(H)	H(CC)	C(NNi)(CH)	113.2900	0.000	1	113.2900	0.000	1	113.2900	0.000	1	177.4938	116.082	38	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	3:2:	C-2:H-1:	C-2:	B-3:C-2:	C(CB)(H)	H(CC)	C(BBN)(CH)	C(CB)(H)	H(CC)	C(BBN)(CH)	179.9760	0.000	1	179.9760	0.000	1	178.1921	1.363	7	178.2289	48.013	401	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	3:2:	C-2:H-1:	C-2:	B-3:C-2:	C(CB)(H)	H(CC)	C(BCN)(CH)	C(CB)(H)	H(CC)	C(BCN)(CH)	177.9710	1.208	4	177.9710	1.460	4	178.1921	1.363	7	178.2289	48.013	401	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	3:2:	C-2:H-1:	C-2:	B-3:C-2:	C(CB)(H)	H(CC)	C(BC[6a]2)(CH)	C(CB)(H)	H(CC)	C(BC[6a]2)(CH)	177.7425	0.128	2	177.7425	0.016	2	178.1921	1.363	7	178.2289	48.013	401	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	3:2:	C-2:H-1:	C-2:	B[6a]-3:C-2:	C(CB[6a])(H)	H(CC)	C(B[6a]N[6a]2)(CH)	C(CB[6a])(H)	H(CC)	C(B[6a]N[6a]2)(CH)	179.9747	0.011	3	179.9747	0.000	3	179.9747	0.000	3	178.2289	48.013	401	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	3:2:	C-2:H-1:	C-2:	C-3:C-2:	C(CC)(H)	H(CC)	C(CAuP)(CH)	C(CC)(H)	H(CC)	C(CAuP)(CH)	110.1250	0.000	1	110.1250	0.000	1	170.8505	488.701	32	178.2289	48.013	401	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	3:2:	C-2:H-1:	C-2:	C-3:C-2:	C(CC)(H)	H(CC)	C(CCC)(CH)	C(CC)(H)	H(CC)	C(CCC)(CH)	178.4087	1.882	4	178.4087	3.541	4	170.8505	488.701	32	178.2289	48.013	401	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	3:2:	C-2:H-1:	C-2:	C-3:C-2:	C(CC)(H)	H(CC)	C(CCH)(CH)	C(CC)(H)	H(CC)	C(CCH)(CH)	141.3167	36.673	5	141.3167	1344.878	5	170.8505	488.701	32	178.2289	48.013	401	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	3:2:	C-2:H-1:	C-2:	C-3:C-2:	C(CC)(H)	H(CC)	C(CCO)(CH)	C(CC)(H)	H(CC)	C(CCO)(CH)	179.9775	0.002	2	179.9775	0.000	2	170.8505	488.701	32	178.2289	48.013	401	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	3:2:	C-2:H-1:	C-2:	C-3:C-2:	C(CC)(H)	H(CC)	C(CC[5]O)(CH)	C(CC)(H)	H(CC)	C(CC[5]O)(CH)	179.9710	0.000	1	179.9710	0.000	1	170.8505	488.701	32	178.2289	48.013	401	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	3:2:	C-2:H-1:	C-2:	C-3:C-2:	C(CC)(H)	H(CC)	C(CC[6a]C)(CH)	C(CC)(H)	H(CC)	C(CC[6a]C)(CH)	178.2380	2.366	2	178.2380	5.598	2	170.8505	488.701	32	178.2289	48.013	401	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	3:2:	C-2:H-1:	C-2:	C-3:C-2:	C(CC)(H)	H(CC)	C(CC[6a]O)(CH)	C(CC)(H)	H(CC)	C(CC[6a]O)(CH)	179.9760	0.008	3	179.9760	0.000	3	170.8505	488.701	32	178.2289	48.013	401	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	3:2:	C-2:H-1:	C-2:	C-3:C-2:	C(CC)(H)	H(CC)	C(CNO)(CH)	C(CC)(H)	H(CC)	C(CNO)(CH)	178.6855	1.780	2	178.6855	3.168	2	170.8505	488.701	32	178.2289	48.013	401	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	3:2:	C-2:H-1:	C-2:	C-3:C-2:	C(CC)(H)	H(CC)	C(CN[6]O)(CH)	C(CC)(H)	H(CC)	C(CN[6]O)(CH)	179.9510	0.013	2	179.9510	0.000	2	170.8505	488.701	32	178.2289	48.013	401	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	3:2:	C-2:H-1:	C-2:	C-3:C-2:	C(CC)(H)	H(CC)	C(COO)(CH)	C(CC)(H)	H(CC)	C(COO)(CH)	178.3270	1.389	10	178.3270	1.930	10	170.8505	488.701	32	178.2289	48.013	401	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	3:2:	C-2:H-1:	C-2:	C[5]-3:C-2:	C(CC[5])(H)	H(CC)	C(C[5]C[5]2)(CH)	C(CC[5])(H)	H(CC)	C(C[5]C[5]2)(CH)	175.9046	2.178	8	175.9046	4.743	8	176.7149	6.607	10	178.2289	48.013	401	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	3:2:	C-2:H-1:	C-2:	C[5]-3:C-2:	C(CC[5])(H)	H(CC)	C(C[5]C[5]N[5])(CH)	C(CC[5])(H)	H(CC)	C(C[5]C[5]N[5])(CH)	179.9970	0.000	1	179.9970	0.000	1	176.7149	6.607	10	178.2289	48.013	401	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	3:2:	C-2:H-1:	C-2:	C[5]-3:C-2:	C(CC[5])(H)	H(CC)	C(C[5]C[5]S[5])(CH)	C(CC[5])(H)	H(CC)	C(C[5]C[5]S[5])(CH)	179.9150	0.000	1	179.9150	0.000	1	176.7149	6.607	10	178.2289	48.013	401	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	3:2:	C-2:H-1:	C-2:	C[5a]-3:C-2:	C(CC[5a])(H)	H(CC)	C(C[5a]C[5a,6a]C[5a])(CH)	C(CC[5a])(H)	H(CC)	C(C[5a]C[5a,6a]C[5a])(CH)	176.7545	0.684	2	176.7545	0.468	2	177.0359	12.589	10	178.2289	48.013	401	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	3:2:	C-2:H-1:	C-2:	C[5a]-3:C-2:	C(CC[5a])(H)	H(CC)	C(C[5a]C[5a]2)(CH)	C(CC[5a])(H)	H(CC)	C(C[5a]C[5a]2)(CH)	179.9520	0.000	1	179.9520	0.000	1	177.0359	12.589	10	178.2289	48.013	401	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	3:2:	C-2:H-1:	C-2:	C[5a]-3:C-2:	C(CC[5a])(H)	H(CC)	C(C[5a]C[5a]S[5a])(CH)	C(CC[5a])(H)	H(CC)	C(C[5a]C[5a]S[5a])(CH)	176.6997	4.151	7	176.6997	17.231	7	177.0359	12.589	10	178.2289	48.013	401	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	3:2:	C-2:H-1:	C-2:	C[6]-3:C-2:	C(CC[6])(H)	H(CC)	C(C[6]C[6]2)(CH)	C(CC[6])(H)	H(CC)	C(C[6]C[6]2)(CH)	179.6232	0.930	10	179.6232	0.864	10	179.4368	0.961	13	178.2289	48.013	401	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	3:2:	C-2:H-1:	C-2:	C[6]-3:C-2:	C(CC[6])(H)	H(CC)	C(C[6]C[6]N[6])(CH)	C(CC[6])(H)	H(CC)	C(C[6]C[6]N[6])(CH)	178.2255	0.401	2	178.2255	0.161	2	179.4368	0.961	13	178.2289	48.013	401	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	3:2:	C-2:H-1:	C-2:	C[6]-3:C-2:	C(CC[6])(H)	H(CC)	C(C[6]N[6]2)(CH)	C(CC[6])(H)	H(CC)	C(C[6]N[6]2)(CH)	179.9960	0.000	1	179.9960	0.000	1	179.4368	0.961	13	178.2289	48.013	401	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	3:2:	C-2:H-1:	C-2:	C[6a]-3:C-2:	C(CC[6a])(H)	H(CC)	C(C[6a]C[5a,6a]2)(CH)	C(CC[6a])(H)	H(CC)	C(C[6a]C[5a,6a]2)(CH)	179.9450	0.000	1	179.9450	0.000	1	179.0175	5.690	316	178.2289	48.013	401	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	3:2:	C-2:H-1:	C-2:	C[6a]-3:C-2:	C(CC[6a])(H)	H(CC)	C(C[6a]C[5a,6a]N[6a])(CH)	C(CC[6a])(H)	H(CC)	C(C[6a]C[5a,6a]N[6a])(CH)	178.7097	1.969	3	178.7097	3.878	3	179.0175	5.690	316	178.2289	48.013	401	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	3:2:	C-2:H-1:	C-2:	C[6a]-3:C-2:	C(CC[6a])(H)	H(CC)	C(C[6a]C[6,6a]C[6a])(CH)	C(CC[6a])(H)	H(CC)	C(C[6a]C[6,6a]C[6a])(CH)	179.9940	0.004	2	179.9940	0.000	2	179.0175	5.690	316	178.2289	48.013	401	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	3:2:	C-2:H-1:	C-2:	C[6a]-3:C-2:	C(CC[6a])(H)	H(CC)	C(C[6a]C[6a,6a]2)(CH)	C(CC[6a])(H)	H(CC)	C(C[6a]C[6a,6a]2)(CH)	179.9720	0.017	2	179.9720	0.000	2	179.0175	5.690	316	178.2289	48.013	401	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	3:2:	C-2:H-1:	C-2:	C[6a]-3:C-2:	C(CC[6a])(H)	H(CC)	C(C[6a]C[6a,6a]C[6a])(CH)	C(CC[6a])(H)	H(CC)	C(C[6a]C[6a,6a]C[6a])(CH)	179.1569	1.342	10	179.1569	1.801	10	179.0175	5.690	316	178.2289	48.013	401	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	3:2:	C-2:H-1:	C-2:	C[6a]-3:C-2:	C(CC[6a])(H)	H(CC)	C(C[6a]C[6a]2)(CH)	C(CC[6a])(H)	H(CC)	C(C[6a]C[6a]2)(CH)	179.0536	2.294	289	179.0536	5.263	289	179.0175	5.690	316	178.2289	48.013	401	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	3:2:	C-2:H-1:	C-2:	C[6a]-3:C-2:	C(CC[6a])(H)	H(CC)	C(C[6a]C[6a]N[6a])(CH)	C(CC[6a])(H)	H(CC)	C(C[6a]C[6a]N[6a])(CH)	176.5649	5.830	7	176.5649	33.987	7	179.0175	5.690	316	178.2289	48.013	401	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	3:2:	C-2:H-1:	C-2:	C[6a]-3:C-2:	C(CC[6a])(H)	H(CC)	C(C[6a]N[6a]2)(CH)	C(CC[6a])(H)	H(CC)	C(C[6a]N[6a]2)(CH)	179.7560	0.344	2	179.7560	0.118	2	179.0175	5.690	316	178.2289	48.013	401	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	3:2:	C-2:H-1:	C-2:	N-3:C-2:	C(CN)(H)	H(CC)	C(NC[6a]2)(CH)	C(CN)(H)	H(CC)	C(NC[6a]2)(CH)	178.4280	0.624	2	178.4280	0.389	2	178.9190	0.918	3	178.2289	48.013	401	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	3:2:	C-2:H-1:	C-2:	N-3:C-2:	C(CN)(H)	H(CC)	C(NHH)(CH)	C(CN)(H)	H(CC)	C(NHH)(CH)	179.9010	0.000	1	179.9010	0.000	1	178.9190	0.918	3	178.2289	48.013	401	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	3:2:	C-2:H-1:	C-2:	N[5a]-3:C-2:	C(CN[5a])(H)	H(CC)	C(N[5a]C[5a,6a]2)(CH)	C(CN[5a])(H)	H(CC)	C(N[5a]C[5a,6a]2)(CH)	176.1940	0.214	2	176.1940	0.046	2	177.7485	3.531	4	178.2289	48.013	401	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	3:2:	C-2:H-1:	C-2:	N[5a]-3:C-2:	C(CN[5a])(H)	H(CC)	C(N[5a]C[5a,6a]C[5a])(CH)	C(CN[5a])(H)	H(CC)	C(N[5a]C[5a,6a]C[5a])(CH)	179.9670	0.000	1	179.9670	0.000	1	177.7485	3.531	4	178.2289	48.013	401	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	3:2:	C-2:H-1:	C-2:	N[5a]-3:C-2:	C(CN[5a])(H)	H(CC)	C(N[5a]C[5a]2)(CH)	C(CN[5a])(H)	H(CC)	C(N[5a]C[5a]2)(CH)	178.6390	0.000	1	178.6390	0.000	1	177.7485	3.531	4	178.2289	48.013	401	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	3:2:	C-2:H-1:	C-2:	N[6]-3:C-2:	C(CN[6])(H)	H(CC)	C(N[6]C[6,6a]2)(CH)	C(CN[6])(H)	H(CC)	C(N[6]C[6,6a]2)(CH)	173.9640	3.586	2	173.9640	12.863	2	173.9640	12.863	2	178.2289	48.013	401	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	3:2:	C-2:H-1:	C-2:	P-3:C-2:	C(CP)(H)	H(CC)	C(PC[6]C)(CH)	C(CP)(H)	H(CC)	C(PC[6]C)(CH)	179.9150	0.000	1	179.9150	0.000	1	179.9150	0.000	1	178.2289	48.013	401	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	4:2:	C-2:H-1:	C-2:	B-4:C-2:	C(CB)(H)	H(CC)	C(BC3)(CH)	C(CB)(H)	H(CC)	C(BC3)(CH)	179.9550	0.032	4	179.9550	0.001	4	179.9610	0.001	6	178.8431	8.990	698	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	4:2:	C-2:H-1:	C-2:	B-4:C-2:	C(CB)(H)	H(CC)	C(BC[6a]2C[5])(CH)	C(CB)(H)	H(CC)	C(BC[6a]2C[5])(CH)	179.9730	0.021	2	179.9730	0.000	2	179.9610	0.001	6	178.8431	8.990	698	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	4:2:	C-2:H-1:	C-2:	B[5,5]-4:C-2:	C(CB[5,5])(H)	H(CC)	C(B[5,5]N[5,5]O[5]2)(CH)	C(CB[5,5])(H)	H(CC)	C(B[5,5]N[5,5]O[5]2)(CH)	179.0390	0.000	1	179.0390	0.000	1	179.0390	0.000	1	178.8431	8.990	698	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	4:2:	C-2:H-1:	C-2:	C-4:C-2:	C(CC)(H)	H(CC)	C(CAsHH)(CH)	C(CC)(H)	H(CC)	C(CAsHH)(CH)	179.9420	0.000	1	179.9420	0.000	1	178.9427	10.423	508	178.8431	8.990	698	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	4:2:	C-2:H-1:	C-2:	C-4:C-2:	C(CC)(H)	H(CC)	C(CCCH)(CH)	C(CC)(H)	H(CC)	C(CCCH)(CH)	178.9250	2.345	5	178.9250	5.497	5	178.9427	10.423	508	178.8431	8.990	698	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	4:2:	C-2:H-1:	C-2:	C-4:C-2:	C(CC)(H)	H(CC)	C(CCCN)(CH)	C(CC)(H)	H(CC)	C(CCCN)(CH)	176.3065	5.092	2	176.3065	25.927	2	178.9427	10.423	508	178.8431	8.990	698	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	4:2:	C-2:H-1:	C-2:	C-4:C-2:	C(CC)(H)	H(CC)	C(CCCO)(CH)	C(CC)(H)	H(CC)	C(CCCO)(CH)	178.3974	3.345	9	178.3974	11.186	9	178.9427	10.423	508	178.8431	8.990	698	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	4:2:	C-2:H-1:	C-2:	C-4:C-2:	C(CC)(H)	H(CC)	C(CCHH)(CH)	C(CC)(H)	H(CC)	C(CCHH)(CH)	178.9088	2.787	66	178.9088	7.767	66	178.9427	10.423	508	178.8431	8.990	698	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	4:2:	C-2:H-1:	C-2:	C-4:C-2:	C(CC)(H)	H(CC)	C(CCHN)(CH)	C(CC)(H)	H(CC)	C(CCHN)(CH)	179.6675	0.409	2	179.6675	0.168	2	178.9427	10.423	508	178.8431	8.990	698	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	4:2:	C-2:H-1:	C-2:	C-4:C-2:	C(CC)(H)	H(CC)	C(CCHO)(CH)	C(CC)(H)	H(CC)	C(CCHO)(CH)	179.6682	0.446	6	179.6682	0.199	6	178.9427	10.423	508	178.8431	8.990	698	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	4:2:	C-2:H-1:	C-2:	C-4:C-2:	C(CC)(H)	H(CC)	C(CCHS)(CH)	C(CC)(H)	H(CC)	C(CCHS)(CH)	179.9370	0.000	1	179.9370	0.000	1	178.9427	10.423	508	178.8431	8.990	698	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	4:2:	C-2:H-1:	C-2:	C-4:C-2:	C(CC)(H)	H(CC)	C(CC[3]CO)(CH)	C(CC)(H)	H(CC)	C(CC[3]CO)(CH)	179.9583	0.011	3	179.9583	0.000	3	178.9427	10.423	508	178.8431	8.990	698	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	4:2:	C-2:H-1:	C-2:	C-4:C-2:	C(CC)(H)	H(CC)	C(CC[3]C[6]P)(CH)	C(CC)(H)	H(CC)	C(CC[3]C[6]P)(CH)	174.6760	0.000	1	174.6760	0.000	1	178.9427	10.423	508	178.8431	8.990	698	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	4:2:	C-2:H-1:	C-2:	C-4:C-2:	C(CC)(H)	H(CC)	C(CC[3]HO)(CH)	C(CC)(H)	H(CC)	C(CC[3]HO)(CH)	168.3225	8.080	2	168.3225	65.288	2	178.9427	10.423	508	178.8431	8.990	698	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	4:2:	C-2:H-1:	C-2:	C-4:C-2:	C(CC)(H)	H(CC)	C(CC[5,6]HH)(CH)	C(CC)(H)	H(CC)	C(CC[5,6]HH)(CH)	179.1600	1.326	3	179.1600	1.758	3	178.9427	10.423	508	178.8431	8.990	698	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	4:2:	C-2:H-1:	C-2:	C-4:C-2:	C(CC)(H)	H(CC)	C(CC[5]BrH)(CH)	C(CC)(H)	H(CC)	C(CC[5]BrH)(CH)	179.9670	0.000	1	179.9670	0.000	1	178.9427	10.423	508	178.8431	8.990	698	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	4:2:	C-2:H-1:	C-2:	C-4:C-2:	C(CC)(H)	H(CC)	C(CC[5]CC)(CH)	C(CC)(H)	H(CC)	C(CC[5]CC)(CH)	179.9610	0.000	1	179.9610	0.000	1	178.9427	10.423	508	178.8431	8.990	698	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	4:2:	C-2:H-1:	C-2:	C-4:C-2:	C(CC)(H)	H(CC)	C(CC[5]CH)(CH)	C(CC)(H)	H(CC)	C(CC[5]CH)(CH)	179.9240	0.000	1	179.9240	0.000	1	178.9427	10.423	508	178.8431	8.990	698	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	4:2:	C-2:H-1:	C-2:	C-4:C-2:	C(CC)(H)	H(CC)	C(CC[5]CO)(CH)	C(CC)(H)	H(CC)	C(CC[5]CO)(CH)	179.9960	0.000	1	179.9960	0.000	1	178.9427	10.423	508	178.8431	8.990	698	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	4:2:	C-2:H-1:	C-2:	C-4:C-2:	C(CC)(H)	H(CC)	C(CC[5]HH)(CH)	C(CC)(H)	H(CC)	C(CC[5]HH)(CH)	179.1592	1.297	16	179.1592	1.683	16	178.9427	10.423	508	178.8431	8.990	698	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	4:2:	C-2:H-1:	C-2:	C-4:C-2:	C(CC)(H)	H(CC)	C(CC[5]HN)(CH)	C(CC)(H)	H(CC)	C(CC[5]HN)(CH)	179.9840	0.000	1	179.9840	0.000	1	178.9427	10.423	508	178.8431	8.990	698	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	4:2:	C-2:H-1:	C-2:	C-4:C-2:	C(CC)(H)	H(CC)	C(CC[5]HO)(CH)	C(CC)(H)	H(CC)	C(CC[5]HO)(CH)	179.9815	0.008	2	179.9815	0.000	2	178.9427	10.423	508	178.8431	8.990	698	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	4:2:	C-2:H-1:	C-2:	C-4:C-2:	C(CC)(H)	H(CC)	C(CC[5a]2C)(CH)	C(CC)(H)	H(CC)	C(CC[5a]2C)(CH)	179.9710	0.000	1	179.9710	0.000	1	178.9427	10.423	508	178.8431	8.990	698	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	4:2:	C-2:H-1:	C-2:	C-4:C-2:	C(CC)(H)	H(CC)	C(CC[5a]C[6]H)(CH)	C(CC)(H)	H(CC)	C(CC[5a]C[6]H)(CH)	179.9470	0.000	1	179.9470	0.000	1	178.9427	10.423	508	178.8431	8.990	698	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	4:2:	C-2:H-1:	C-2:	C-4:C-2:	C(CC)(H)	H(CC)	C(CC[6]CH)(CH)	C(CC)(H)	H(CC)	C(CC[6]CH)(CH)	175.7740	0.082	2	175.7740	0.007	2	178.9427	10.423	508	178.8431	8.990	698	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	4:2:	C-2:H-1:	C-2:	C-4:C-2:	C(CC)(H)	H(CC)	C(CC[6]HH)(CH)	C(CC)(H)	H(CC)	C(CC[6]HH)(CH)	179.4621	0.755	8	179.4621	0.570	8	178.9427	10.423	508	178.8431	8.990	698	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	4:2:	C-2:H-1:	C-2:	C-4:C-2:	C(CC)(H)	H(CC)	C(CC[6]HN)(CH)	C(CC)(H)	H(CC)	C(CC[6]HN)(CH)	179.3470	0.000	1	179.3470	0.000	1	178.9427	10.423	508	178.8431	8.990	698	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	4:2:	C-2:H-1:	C-2:	C-4:C-2:	C(CC)(H)	H(CC)	C(CC[6]HO)(CH)	C(CC)(H)	H(CC)	C(CC[6]HO)(CH)	179.9670	0.000	1	179.9670	0.000	1	178.9427	10.423	508	178.8431	8.990	698	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	4:2:	C-2:H-1:	C-2:	C-4:C-2:	C(CC)(H)	H(CC)	C(CC[6a]2H)(CH)	C(CC)(H)	H(CC)	C(CC[6a]2H)(CH)	175.7010	5.583	2	175.7010	31.173	2	178.9427	10.423	508	178.8431	8.990	698	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	4:2:	C-2:H-1:	C-2:	C-4:C-2:	C(CC)(H)	H(CC)	C(CC[6a]2O)(CH)	C(CC)(H)	H(CC)	C(CC[6a]2O)(CH)	177.4330	4.121	4	177.4330	16.981	4	178.9427	10.423	508	178.8431	8.990	698	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	4:2:	C-2:H-1:	C-2:	C-4:C-2:	C(CC)(H)	H(CC)	C(CC[6a]CH)(CH)	C(CC)(H)	H(CC)	C(CC[6a]CH)(CH)	178.0370	2.641	4	178.0370	6.974	4	178.9427	10.423	508	178.8431	8.990	698	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	4:2:	C-2:H-1:	C-2:	C-4:C-2:	C(CC)(H)	H(CC)	C(CC[6a]CN)(CH)	C(CC)(H)	H(CC)	C(CC[6a]CN)(CH)	179.9590	0.000	1	179.9590	0.000	1	178.9427	10.423	508	178.8431	8.990	698	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	4:2:	C-2:H-1:	C-2:	C-4:C-2:	C(CC)(H)	H(CC)	C(CC[6a]CO)(CH)	C(CC)(H)	H(CC)	C(CC[6a]CO)(CH)	177.6843	2.151	3	177.6843	4.628	3	178.9427	10.423	508	178.8431	8.990	698	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	4:2:	C-2:H-1:	C-2:	C-4:C-2:	C(CC)(H)	H(CC)	C(CC[6a]C[3]P)(CH)	C(CC)(H)	H(CC)	C(CC[6a]C[3]P)(CH)	177.0830	0.000	1	177.0830	0.000	1	178.9427	10.423	508	178.8431	8.990	698	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	4:2:	C-2:H-1:	C-2:	C-4:C-2:	C(CC)(H)	H(CC)	C(CC[6a]C[5]H)(CH)	C(CC)(H)	H(CC)	C(CC[6a]C[5]H)(CH)	179.9380	0.000	1	179.9380	0.000	1	178.9427	10.423	508	178.8431	8.990	698	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	4:2:	C-2:H-1:	C-2:	C-4:C-2:	C(CC)(H)	H(CC)	C(CC[6a]C[6]H)(CH)	C(CC)(H)	H(CC)	C(CC[6a]C[6]H)(CH)	179.9190	0.093	4	179.9190	0.009	4	178.9427	10.423	508	178.8431	8.990	698	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	4:2:	C-2:H-1:	C-2:	C-4:C-2:	C(CC)(H)	H(CC)	C(CC[6a]HN)(CH)	C(CC)(H)	H(CC)	C(CC[6a]HN)(CH)	179.9348	0.029	4	179.9348	0.001	4	178.9427	10.423	508	178.8431	8.990	698	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	4:2:	C-2:H-1:	C-2:	C-4:C-2:	C(CC)(H)	H(CC)	C(CC[6a]HO)(CH)	C(CC)(H)	H(CC)	C(CC[6a]HO)(CH)	179.9417	0.007	3	179.9417	0.000	3	178.9427	10.423	508	178.8431	8.990	698	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	4:2:	C-2:H-1:	C-2:	C-4:C-2:	C(CC)(H)	H(CC)	C(CClCC)(CH)	C(CC)(H)	H(CC)	C(CClCC)(CH)	179.9130	0.000	1	179.9130	0.000	1	178.9427	10.423	508	178.8431	8.990	698	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	4:2:	C-2:H-1:	C-2:	C-4:C-2:	C(CC)(H)	H(CC)	C(CHHN)(CH)	C(CC)(H)	H(CC)	C(CHHN)(CH)	179.1404	1.872	99	179.1404	3.506	99	178.9427	10.423	508	178.8431	8.990	698	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	4:2:	C-2:H-1:	C-2:	C-4:C-2:	C(CC)(H)	H(CC)	C(CHHO)(CH)	C(CC)(H)	H(CC)	C(CHHO)(CH)	178.8845	4.891	139	178.8845	23.923	139	178.9427	10.423	508	178.8431	8.990	698	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	4:2:	C-2:H-1:	C-2:	C-4:C-2:	C(CC)(H)	H(CC)	C(CHHS)(CH)	C(CC)(H)	H(CC)	C(CHHS)(CH)	179.9563	0.017	7	179.9563	0.000	7	178.9427	10.423	508	178.8431	8.990	698	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	4:2:	C-2:H-1:	C-2:	C-4:C-2:	C(CC)(H)	H(CC)	C(CIrCH)(CH)	C(CC)(H)	H(CC)	C(CIrCH)(CH)	174.2110	0.000	1	174.2110	0.000	1	178.9427	10.423	508	178.8431	8.990	698	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	4:2:	C-2:H-1:	C-2:	C-4:C-2:	C(CC)(H)	H(CC)	C(CN[5]HH)(CH)	C(CC)(H)	H(CC)	C(CN[5]HH)(CH)	178.4409	3.170	25	178.4409	10.050	25	178.9427	10.423	508	178.8431	8.990	698	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	4:2:	C-2:H-1:	C-2:	C-4:C-2:	C(CC)(H)	H(CC)	C(CN[5a]HH)(CH)	C(CC)(H)	H(CC)	C(CN[5a]HH)(CH)	178.8130	1.758	35	178.8130	3.090	35	178.9427	10.423	508	178.8431	8.990	698	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	4:2:	C-2:H-1:	C-2:	C-4:C-2:	C(CC)(H)	H(CC)	C(CN[6,6]CH)(CH)	C(CC)(H)	H(CC)	C(CN[6,6]CH)(CH)	179.9830	0.000	1	179.9830	0.000	1	178.9427	10.423	508	178.8431	8.990	698	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	4:2:	C-2:H-1:	C-2:	C-4:C-2:	C(CC)(H)	H(CC)	C(CN[6]CC)(CH)	C(CC)(H)	H(CC)	C(CN[6]CC)(CH)	179.9375	0.030	2	179.9375	0.001	2	178.9427	10.423	508	178.8431	8.990	698	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	4:2:	C-2:H-1:	C-2:	C-4:C-2:	C(CC)(H)	H(CC)	C(CN[6]HH)(CH)	C(CC)(H)	H(CC)	C(CN[6]HH)(CH)	179.6694	0.853	19	179.6694	0.728	19	178.9427	10.423	508	178.8431	8.990	698	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	4:2:	C-2:H-1:	C-2:	C-4:C-2:	C(CC)(H)	H(CC)	C(CN[6a]CH)(CH)	C(CC)(H)	H(CC)	C(CN[6a]CH)(CH)	179.9400	0.000	1	179.9400	0.000	1	178.9427	10.423	508	178.8431	8.990	698	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	4:2:	C-2:H-1:	C-2:	C-4:C-2:	C(CC)(H)	H(CC)	C(CN[6a]HH)(CH)	C(CC)(H)	H(CC)	C(CN[6a]HH)(CH)	179.6604	0.600	9	179.6604	0.360	9	178.9427	10.423	508	178.8431	8.990	698	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	4:2:	C-2:H-1:	C-2:	C-4:C-2:	C(CC)(H)	H(CC)	C(CO[5]HH)(CH)	C(CC)(H)	H(CC)	C(CO[5]HH)(CH)	179.9550	0.000	1	179.9550	0.000	1	178.9427	10.423	508	178.8431	8.990	698	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	4:2:	C-2:H-1:	C-2:	C-4:C-2:	C(CC)(H)	H(CC)	C(CSeHH)(CH)	C(CC)(H)	H(CC)	C(CSeHH)(CH)	179.8980	0.075	2	179.8980	0.006	2	178.9427	10.423	508	178.8431	8.990	698	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	4:2:	C-2:H-1:	C-2:	C-4:C-2:	C(CC)(H)	H(CC)	C(CSiHH)(CH)	C(CC)(H)	H(CC)	C(CSiHH)(CH)	177.4740	0.000	1	177.4740	0.000	1	178.9427	10.423	508	178.8431	8.990	698	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	4:2:	C-2:H-1:	C-2:	C[3,5]-4:C-2:	C(CC[3,5])(H)	H(CC)	C(C[3,5]C[3,5]C[3]C[5])(CH)	C(CC[3,5])(H)	H(CC)	C(C[3,5]C[3,5]C[3]C[5])(CH)	179.9130	0.000	1	179.9130	0.000	1	179.9130	0.000	1	178.8431	8.990	698	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	4:2:	C-2:H-1:	C-2:	C[3,6]-4:C-2:	C(CC[3,6])(H)	H(CC)	C(C[3,6]C[3,6]C[3]C[6])(CH)	C(CC[3,6])(H)	H(CC)	C(C[3,6]C[3,6]C[3]C[6])(CH)	179.9300	0.000	1	179.9300	0.000	1	179.9300	0.000	1	178.8431	8.990	698	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	4:2:	C-2:H-1:	C-2:	C[3]-4:C-2:	C(CC[3])(H)	H(CC)	C(C[3]C[3]2H)(CH)	C(CC[3])(H)	H(CC)	C(C[3]C[3]2H)(CH)	178.8617	1.931	3	178.8617	3.729	3	179.5441	1.385	8	178.8431	8.990	698	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	4:2:	C-2:H-1:	C-2:	C[3]-4:C-2:	C(CC[3])(H)	H(CC)	C(C[3]C[3]N[3]C)(CH)	C(CC[3])(H)	H(CC)	C(C[3]C[3]N[3]C)(CH)	179.9463	0.028	4	179.9463	0.001	4	179.5441	1.385	8	178.8431	8.990	698	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	4:2:	C-2:H-1:	C-2:	C[3]-4:C-2:	C(CC[3])(H)	H(CC)	C(C[3]C[3]N[3]H)(CH)	C(CC[3])(H)	H(CC)	C(C[3]C[3]N[3]H)(CH)	179.9830	0.000	1	179.9830	0.000	1	179.5441	1.385	8	178.8431	8.990	698	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	4:2:	C-2:H-1:	C-2:	C[3x6]-4:C-2:	C(CC[3x6])(H)	H(CC)	C(C[3x6]C[6,6]3)(CH)	C(CC[3x6])(H)	H(CC)	C(C[3x6]C[6,6]3)(CH)	178.6022	1.985	5	178.6022	3.940	5	178.6022	3.940	5	178.8431	8.990	698	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	4:2:	C-2:H-1:	C-2:	C[4,5,5]-4:C-2:	C(CC[4,5,5])(H)	H(CC)	C(C[4,5,5]C[4,5]2N[5,5])(CH)	C(CC[4,5,5])(H)	H(CC)	C(C[4,5,5]C[4,5]2N[5,5])(CH)	178.8660	0.000	1	178.8660	0.000	1	178.8660	0.000	1	178.8431	8.990	698	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	4:2:	C-2:H-1:	C-2:	C[4]-4:C-2:	C(CC[4])(H)	H(CC)	C(C[4]C[4,5]C[4,6]C)(CH)	C(CC[4])(H)	H(CC)	C(C[4]C[4,5]C[4,6]C)(CH)	178.3290	0.000	1	178.3290	0.000	1	178.4827	4.360	9	178.8431	8.990	698	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	4:2:	C-2:H-1:	C-2:	C[4]-4:C-2:	C(CC[4])(H)	H(CC)	C(C[4]C[4]2H)(CH)	C(CC[4])(H)	H(CC)	C(C[4]C[4]2H)(CH)	177.6258	2.481	5	177.6258	6.156	5	178.4827	4.360	9	178.8431	8.990	698	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	4:2:	C-2:H-1:	C-2:	C[4]-4:C-2:	C(CC[4])(H)	H(CC)	C(C[4]C[4]N[4]C)(CH)	C(CC[4])(H)	H(CC)	C(C[4]C[4]N[4]C)(CH)	179.9620	0.014	3	179.9620	0.000	3	178.4827	4.360	9	178.8431	8.990	698	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	4:2:	C-2:H-1:	C-2:	C[4x6]-4:C-2:	C(CC[4x6])(H)	H(CC)	C(C[4x6]C[4x6]2C[6,6])(CH)	C(CC[4x6])(H)	H(CC)	C(C[4x6]C[4x6]2C[6,6])(CH)	179.9690	0.038	2	179.9690	0.001	2	179.9690	0.001	2	178.8431	8.990	698	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	4:2:	C-2:H-1:	C-2:	C[5,6]-4:C-2:	C(CC[5,6])(H)	H(CC)	C(C[5,6]C[5,5,6]C[5,6]H)(CH)	C(CC[5,6])(H)	H(CC)	C(C[5,6]C[5,5,6]C[5,6]H)(CH)	179.9220	0.000	1	179.9220	0.000	1	179.9220	0.000	1	178.8431	8.990	698	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	4:2:	C-2:H-1:	C-2:	C[5]-4:C-2:	C(CC[5])(H)	H(CC)	C(C[5]C[3,5]C[5]O)(CH)	C(CC[5])(H)	H(CC)	C(C[5]C[3,5]C[5]O)(CH)	179.9640	0.023	2	179.9640	0.001	2	178.9979	3.462	54	178.8431	8.990	698	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	4:2:	C-2:H-1:	C-2:	C[5]-4:C-2:	C(CC[5])(H)	H(CC)	C(C[5]C[5,5]O[5]H)(CH)	C(CC[5])(H)	H(CC)	C(C[5]C[5,5]O[5]H)(CH)	177.4130	0.000	1	177.4130	0.000	1	178.9979	3.462	54	178.8431	8.990	698	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	4:2:	C-2:H-1:	C-2:	C[5]-4:C-2:	C(CC[5])(H)	H(CC)	C(C[5]C[5,6]C[5]O)(CH)	C(CC[5])(H)	H(CC)	C(C[5]C[5,6]C[5]O)(CH)	178.4025	2.442	25	178.4025	5.964	25	178.9979	3.462	54	178.8431	8.990	698	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	4:2:	C-2:H-1:	C-2:	C[5]-4:C-2:	C(CC[5])(H)	H(CC)	C(C[5]C[5,6]O[5]C)(CH)	C(CC[5])(H)	H(CC)	C(C[5]C[5,6]O[5]C)(CH)	179.0900	0.859	3	179.0900	0.739	3	178.9979	3.462	54	178.8431	8.990	698	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	4:2:	C-2:H-1:	C-2:	C[5]-4:C-2:	C(CC[5])(H)	H(CC)	C(C[5]C[5,6a]2O)(CH)	C(CC[5])(H)	H(CC)	C(C[5]C[5,6a]2O)(CH)	179.8151	0.070	8	179.8151	0.005	8	178.9979	3.462	54	178.8431	8.990	698	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	4:2:	C-2:H-1:	C-2:	C[5]-4:C-2:	C(CC[5])(H)	H(CC)	C(C[5]C[5,6a]C[5]H)(CH)	C(CC[5])(H)	H(CC)	C(C[5]C[5,6a]C[5]H)(CH)	179.9605	0.032	2	179.9605	0.001	2	178.9979	3.462	54	178.8431	8.990	698	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	4:2:	C-2:H-1:	C-2:	C[5]-4:C-2:	C(CC[5])(H)	H(CC)	C(C[5]C[5,6a]N[5]H)(CH)	C(CC[5])(H)	H(CC)	C(C[5]C[5,6a]N[5]H)(CH)	179.3130	0.000	1	179.3130	0.000	1	178.9979	3.462	54	178.8431	8.990	698	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	4:2:	C-2:H-1:	C-2:	C[5]-4:C-2:	C(CC[5])(H)	H(CC)	C(C[5]C[5]2Fe)(CH)	C(CC[5])(H)	H(CC)	C(C[5]C[5]2Fe)(CH)	179.1080	1.495	3	179.1080	2.235	3	178.9979	3.462	54	178.8431	8.990	698	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	4:2:	C-2:H-1:	C-2:	C[5]-4:C-2:	C(CC[5])(H)	H(CC)	C(C[5]C[5]2O)(CH)	C(CC[5])(H)	H(CC)	C(C[5]C[5]2O)(CH)	179.0588	1.724	4	179.0588	2.971	4	178.9979	3.462	54	178.8431	8.990	698	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	4:2:	C-2:H-1:	C-2:	C[5]-4:C-2:	C(CC[5])(H)	H(CC)	C(C[5]C[5]N[5]H)(CH)	C(CC[5])(H)	H(CC)	C(C[5]C[5]N[5]H)(CH)	179.9540	0.000	1	179.9540	0.000	1	178.9979	3.462	54	178.8431	8.990	698	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	4:2:	C-2:H-1:	C-2:	C[5]-4:C-2:	C(CC[5])(H)	H(CC)	C(C[5]C[5]O[5]H)(CH)	C(CC[5])(H)	H(CC)	C(C[5]C[5]O[5]H)(CH)	179.9893	0.005	3	179.9893	0.000	3	178.9979	3.462	54	178.8431	8.990	698	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	4:2:	C-2:H-1:	C-2:	C[5]-4:C-2:	C(CC[5])(H)	H(CC)	C(C[5]N[5,6]C[5]H)(CH)	C(CC[5])(H)	H(CC)	C(C[5]N[5,6]C[5]H)(CH)	179.9800	0.000	1	179.9800	0.000	1	178.9979	3.462	54	178.8431	8.990	698	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	4:2:	C-2:H-1:	C-2:	C[6,6]-4:C-2:	C(CC[6,6])(H)	H(CC)	C(C[6,6]C[5,5,6,6]C[3x6]O)(CH)	C(CC[6,6])(H)	H(CC)	C(C[6,6]C[5,5,6,6]C[3x6]O)(CH)	179.9770	0.000	1	179.9770	0.000	1	179.3782	1.406	4	178.8431	8.990	698	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	4:2:	C-2:H-1:	C-2:	C[6,6]-4:C-2:	C(CC[6,6])(H)	H(CC)	C(C[6,6]C[6,6]C[6]2)(CH)	C(CC[6,6])(H)	H(CC)	C(C[6,6]C[6,6]C[6]2)(CH)	179.9680	0.017	2	179.9680	0.000	2	179.3782	1.406	4	178.8431	8.990	698	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	4:2:	C-2:H-1:	C-2:	C[6,6]-4:C-2:	C(CC[6,6])(H)	H(CC)	C(C[6,6]C[6,6]C[6]N[6])(CH)	C(CC[6,6])(H)	H(CC)	C(C[6,6]C[6,6]C[6]N[6])(CH)	177.6000	0.000	1	177.6000	0.000	1	179.3782	1.406	4	178.8431	8.990	698	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	4:2:	C-2:H-1:	C-2:	C[6]-4:C-2:	C(CC[6])(H)	H(CC)	C(C[6]C[5a,6]C[6,6a]H)(CH)	C(CC[6])(H)	H(CC)	C(C[6]C[5a,6]C[6,6a]H)(CH)	179.9535	0.015	2	179.9535	0.000	2	178.1465	4.889	64	178.8431	8.990	698	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	4:2:	C-2:H-1:	C-2:	C[6]-4:C-2:	C(CC[6])(H)	H(CC)	C(C[6]C[6,6]C[6]H)(CH)	C(CC[6])(H)	H(CC)	C(C[6]C[6,6]C[6]H)(CH)	179.9740	0.000	1	179.9740	0.000	1	178.1465	4.889	64	178.8431	8.990	698	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	4:2:	C-2:H-1:	C-2:	C[6]-4:C-2:	C(CC[6])(H)	H(CC)	C(C[6]C[6,6a]2O)(CH)	C(CC[6])(H)	H(CC)	C(C[6]C[6,6a]2O)(CH)	178.0437	1.516	12	178.0437	2.297	12	178.1465	4.889	64	178.8431	8.990	698	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	4:2:	C-2:H-1:	C-2:	C[6]-4:C-2:	C(CC[6])(H)	H(CC)	C(C[6]C[6,6a]C[5,6]O)(CH)	C(CC[6])(H)	H(CC)	C(C[6]C[6,6a]C[5,6]O)(CH)	179.9610	0.027	2	179.9610	0.001	2	178.1465	4.889	64	178.8431	8.990	698	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	4:2:	C-2:H-1:	C-2:	C[6]-4:C-2:	C(CC[6])(H)	H(CC)	C(C[6]C[6,6a]C[6]H)(CH)	C(CC[6])(H)	H(CC)	C(C[6]C[6,6a]C[6]H)(CH)	179.8425	0.037	2	179.8425	0.001	2	178.1465	4.889	64	178.8431	8.990	698	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	4:2:	C-2:H-1:	C-2:	C[6]-4:C-2:	C(CC[6])(H)	H(CC)	C(C[6]C[6,6a]C[6]O)(CH)	C(CC[6])(H)	H(CC)	C(C[6]C[6,6a]C[6]O)(CH)	178.3533	0.559	4	178.3533	0.313	4	178.1465	4.889	64	178.8431	8.990	698	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	4:2:	C-2:H-1:	C-2:	C[6]-4:C-2:	C(CC[6])(H)	H(CC)	C(C[6]C[6]2N)(CH)	C(CC[6])(H)	H(CC)	C(C[6]C[6]2N)(CH)	179.9610	0.000	1	179.9610	0.000	1	178.1465	4.889	64	178.8431	8.990	698	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	4:2:	C-2:H-1:	C-2:	C[6]-4:C-2:	C(CC[6])(H)	H(CC)	C(C[6]C[6]2O)(CH)	C(CC[6])(H)	H(CC)	C(C[6]C[6]2O)(CH)	177.6181	2.596	36	177.6181	6.742	36	178.1465	4.889	64	178.8431	8.990	698	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	4:2:	C-2:H-1:	C-2:	C[6]-4:C-2:	C(CC[6])(H)	H(CC)	C(C[6]C[6]O[6]H)(CH)	C(CC[6])(H)	H(CC)	C(C[6]C[6]O[6]H)(CH)	179.2570	1.222	3	179.2570	1.493	3	178.1465	4.889	64	178.8431	8.990	698	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	4:2:	C-2:H-1:	C-2:	C[6]-4:C-2:	C(CC[6])(H)	H(CC)	C(C[6]N[5a]C[6]2)(CH)	C(CC[6])(H)	H(CC)	C(C[6]N[5a]C[6]2)(CH)	179.9630	0.000	1	179.9630	0.000	1	178.1465	4.889	64	178.8431	8.990	698	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	4:2:	C-2:H-1:	C-2:	P-4:C-2:	C(CP)(H)	H(CC)	C(PB[3,3,5,3x6]CC)(CH)	C(CP)(H)	H(CC)	C(PB[3,3,5,3x6]CC)(CH)	179.9680	0.014	3	179.9680	0.000	3	179.1318	2.984	12	178.8431	8.990	698	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	4:2:	C-2:H-1:	C-2:	P-4:C-2:	C(CP)(H)	H(CC)	C(PCCO)(CH)	C(CP)(H)	H(CC)	C(PCCO)(CH)	179.9755	0.016	2	179.9755	0.000	2	179.1318	2.984	12	178.8431	8.990	698	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	4:2:	C-2:H-1:	C-2:	P-4:C-2:	C(CP)(H)	H(CC)	C(PC[5a]C[6a]O)(CH)	C(CP)(H)	H(CC)	C(PC[5a]C[6a]O)(CH)	174.6450	0.000	1	174.6450	0.000	1	179.1318	2.984	12	178.8431	8.990	698	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	4:2:	C-2:H-1:	C-2:	P-4:C-2:	C(CP)(H)	H(CC)	C(PC[6a]2O)(CH)	C(CP)(H)	H(CC)	C(PC[6a]2O)(CH)	176.4330	0.000	1	176.4330	0.000	1	179.1318	2.984	12	178.8431	8.990	698	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	4:2:	C-2:H-1:	C-2:	P-4:C-2:	C(CP)(H)	H(CC)	C(PReCC)(CH)	C(CP)(H)	H(CC)	C(PReCC)(CH)	179.7296	0.156	5	179.7296	0.024	5	179.1318	2.984	12	178.8431	8.990	698	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	4:2:	C-2:H-1:	C-2:	Si-4:C-2:	C(CSi)(H)	H(CC)	C(SiC3)(CH)	C(CSi)(H)	H(CC)	C(SiC3)(CH)	179.9395	0.066	2	179.9395	0.004	2	179.2028	4.262	13	178.8431	8.990	698	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	4:2:	C-2:H-1:	C-2:	Si-4:C-2:	C(CSi)(H)	H(CC)	C(SiCCO)(CH)	C(CSi)(H)	H(CC)	C(SiCCO)(CH)	179.9065	0.005	2	179.9065	0.000	2	179.2028	4.262	13	178.8431	8.990	698	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	4:2:	C-2:H-1:	C-2:	Si-4:C-2:	C(CSi)(H)	H(CC)	C(SiC[6a]2C)(CH)	C(CSi)(H)	H(CC)	C(SiC[6a]2C)(CH)	179.9457	0.074	3	179.9457	0.005	3	179.2028	4.262	13	178.8431	8.990	698	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	4:2:	C-2:H-1:	C-2:	Si-4:C-2:	C(CSi)(H)	H(CC)	C(SiC[6a]CC)(CH)	C(CSi)(H)	H(CC)	C(SiC[6a]CC)(CH)	178.3513	2.934	6	178.3513	8.608	6	179.2028	4.262	13	178.8431	8.990	698	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	4:2:	C-2:H-1:	C-2:	Si[5]-4:C-2:	C(CSi[5])(H)	H(CC)	C(Si[5]C[5]2C)(CH)	C(CSi[5])(H)	H(CC)	C(Si[5]C[5]2C)(CH)	172.5300	4.394	4	172.5300	19.311	4	172.3820	14.592	5	178.8431	8.990	698	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	4:2:	C-2:H-1:	C-2:	Si[5]-4:C-2:	C(CSi[5])(H)	H(CC)	C(Si[5]C[6a]C[5]2)(CH)	C(CSi[5])(H)	H(CC)	C(Si[5]C[6a]C[5]2)(CH)	171.7900	0.000	1	171.7900	0.000	1	172.3820	14.592	5	178.8431	8.990	698	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	4:2:	C-2:H-1:	C-2:	Si[6]-4:C-2:	C(CSi[6])(H)	H(CC)	C(Si[6]C[6a]C[6]2)(CH)	C(CSi[6])(H)	H(CC)	C(Si[6]C[6a]C[6]2)(CH)	176.8663	1.225	3	176.8663	1.500	3	176.8663	1.500	3	178.8431	8.990	698	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	6:2:	C-2:H-1:	C-2:	B[5x3,5x5,20x6]-6:C-2:	C(CB[5x3,5x5,20x6])(H)	H(CC)	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CH)	C(CB[5x3,5x5,20x6])(H)	H(CC)	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CH)	179.9450	0.000	1	179.9450	0.000	1	179.6930	0.398	9	179.6930	0.398	9	177.7436	79.565	1169	177.7436	79.565	1169
983	951	983	0:SP1_SP-NON_SP1	C	H	C	2:1:	2:	6:2:	C-2:H-1:	C-2:	B[5x3,5x5,20x6]-6:C-2:	C(CB[5x3,5x5,20x6])(H)	H(CC)	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(CH)	C(CB[5x3,5x5,20x6])(H)	H(CC)	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(CH)	179.6615	0.667	8	179.6615	0.445	8	179.6930	0.398	9	179.6930	0.398	9	177.7436	79.565	1169	177.7436	79.565	1169
983	952	983	0:SP1_SP1_SP3	C	S	C	2:4:	2:1:1:1:	3:2:	C-2:S-4:	C-2:O-1:O-1:O-1:	C[6a]-3:C-2:	C(CC[6a])(SO3)	S(CC)(O)3	C(C[6a]C[6a]2)(CS)	C(CC[6a])(SO3)	S(CC)(O)3	C(C[6a]C[6a]2)(CS)	178.1570	0.000	1	178.1570	0.000	1	178.1570	0.000	1	178.1570	0.000	1	177.0304	7.246	7	177.0304	7.246	7
983	952	983	0:SP1_SP1_SP3	C	S	C	4:2:	3:2:1:1:	3:2:	S-4:C-2:	C[6a]-3:C-2:O-1:O-1:	C[6a]-3:C-2:	C(SC[6a]OO)(CC[6a])	S(C[6a]C[6a]2)(CC)(O)2	C(C[6a]C[6a]2)(CS)	C(SC[6a]OO)(CC[6a])	S(C[6a]C[6a]2)(CC)(O)2	C(C[6a]C[6a]2)(CS)	175.2543	3.637	3	175.2543	13.228	3	175.2543	13.228	3	175.2543	13.228	3	177.0304	7.246	7	177.0304	7.246	7
983	952	983	0:SP1_SP1_SP3	C	S	C	4:2:	3:2:1:1:	4:2:	S-4:C-2:	C[6a]-3:C-2:O-1:O-1:	Si-4:C-2:	C(SC[6a]OO)(CSi)	S(C[6a]C[6a]2)(CC)(O)2	C(SiC3)(CS)	C(SC[6a]OO)(CSi)	S(C[6a]C[6a]2)(CC)(O)2	C(SiC3)(CS)	178.1870	0.216	2	178.1870	0.047	2	178.1870	0.047	2	178.1870	0.047	2	177.0304	7.246	7	177.0304	7.246	7
983	952	983	0:SP1_SP1_SP3	C	S	C	4:2:	4:2:1:1:	4:2:	S-4:C-2:	C-4:C-2:O-1:O-1:	S-4:C-2:	C(SCOO)(CS)	S(CC3)(CC)(O)2	C(SCOO)(CS)	C(SCOO)(CS)	S(CC3)(CC)(O)2	C(SCOO)(CS)	178.9190	0.000	1	178.9190	0.000	1	178.9190	0.000	1	178.9190	0.000	1	177.0304	7.246	7	177.0304	7.246	7
983	953	983	0:SP1_SP-NON_SP1	C	I	C	2:2:	3:2:	2:1:	I-2:C-2:	C[6a]-3:C-2:	C-2:H-1:	C(IC[6a])(CH)	I(C[6a]C[6a]2)(CC)	C(CI)(H)	C(IC[6a])(CH)	I(C[6a]C[6a]2)(CC)	C(CI)(H)	175.2520	0.000	1	175.2520	0.000	1	175.2520	0.000	1	175.2520	0.000	1	168.1397	92.835	4	168.1397	92.835	4
983	953	983	0:SP1_SP-NON_SP1	C	I	C	2:2:	3:2:	3:2:	C-2:I-2:	C[6a]-3:C-2:	C[6a]-3:C-2:	C(CC[6a])(IC[6a])	I(C[6a]C[6a]2)(CC)	C(C[6a]C[6a]2)(CI)	C(CC[6a])(IC[6a])	I(C[6a]C[6a]2)(CC)	C(C[6a]C[6a]2)(CI)	177.6310	0.000	1	177.6310	0.000	1	177.6310	0.000	1	177.6310	0.000	1	168.1397	92.835	4	168.1397	92.835	4
983	953	983	0:SP1_SP-NON_SP1	C	I	C	2:2:	3:2:	4:2:	I-2:C-2:	C[6a]-3:C-2:	C-4:C-2:	C(IC[6a])(CC)	I(C[6a]C[6a]2)(CC)	C(CC3)(CI)	C(IC[6a])(CC)	I(C[6a]C[6a]2)(CC)	C(CC3)(CI)	159.8380	0.000	2	159.8380	0.000	2	159.8380	0.000	2	159.8380	0.000	2	168.1397	92.835	4	168.1397	92.835	4
983	955	983	0:SP1_SP1_SP3	C	P[5]	C	4:2:	3:4:3:2:	2:3:	P[5]-4:C-2:	C[6a]-3:C[5]-4:C[5]-3:C-2:	C-2:C-3:	C(P[5]C[6a]C[5]2)(CC)	P[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]B)(CC)	C(CP[5])(CCC)	C(P[5]C[6a]C[5]2)(CC)	P[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]B)(CC){1|H<1>,2|C<3>,3|C<4>}	C(CP[5])(CCC)	162.9030	0.000	1	162.9030	0.000	1	162.9030	0.000	1	162.9030	0.000	1	167.0105	33.743	2	167.0105	33.743	2
983	955	983	0:SP1_SP1_SP3	C	P[5]	C	4:2:	4:3:3:2:	3:2:	P[5]-4:C-2:	C[5,6]-4:C[6a]-3:C[5]-3:C-2:	C[6]-3:C-2:	C(P[5]C[5,6]C[6a]C[5])(CC[6])	P[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]B)(CC)	C(C[6]C[6]2)(CP[5])	C(P[5]C[5,6]C[6a]C[5])(CC[6])	P[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]B)(CC){2|C<3>,3|H<1>,4|C<4>}	C(C[6]C[6]2)(CP[5])	171.1180	0.000	1	171.1180	0.000	1	171.1180	0.000	1	171.1180	0.000	1	167.0105	33.743	2	167.0105	33.743	2
983	956	956	0:SP1_SP2_SP2	C	N	N	3:3:	3:4:2:	3:4:2:	N-3:N-3:	C[6a]-3:C-4:C-2:	C[6a]-3:C-4:C-2:	C(NC[6a]C)2	N(C[6a]C[6a]2)(CCHH)(CN)	N(C[6a]C[6a]2)(CCHH)(CN)	C(NC[6a]C)2	N(C[6a]C[6a]2)(CCHH)(CN)	N(C[6a]C[6a]2)(CCHH)(CN)	116.6230	0.000	1	116.6230	0.000	1	118.7723	3.649	3	118.7723	3.649	3	120.9070	20.660	4	120.9070	20.660	4
983	956	956	0:SP1_SP2_SP2	C	N	N	3:3:	3:4:2:	3:4:2:	N-3:N-3:	C[6a]-3:C-4:C-2:	C[6a]-3:C-4:C-2:	C(NC[6a]C)2	N(C[6a]C[6a]2)(CH3)(CN)	N(C[6a]C[6a]2)(CH3)(CN)	C(NC[6a]C)2	N(C[6a]C[6a]2)(CH3)(CN)	N(C[6a]C[6a]2)(CH3)(CN)	119.8470	0.607	2	119.8470	0.368	2	118.7723	3.649	3	118.7723	3.649	3	120.9070	20.660	4	120.9070	20.660	4
983	956	956	0:SP1_SP2_SP2	C	N	N	3:3:	4:4:2:	4:4:2:	N-3:N-3:	C-4:C-4:C-2:	C-4:C-4:C-2:	C(NCC)2	N(CCHH)2(CN)	N(CCHH)2(CN)	C(NCC)2	N(CCHH)2(CN)	N(CCHH)2(CN)	127.3110	0.000	1	127.3110	0.000	1	127.3110	0.000	1	127.3110	0.000	1	120.9070	20.660	4	120.9070	20.660	4
983	956	956	0:SP1_SP2_SP3	C	N	N	3:3:	4:3:2:	4:3:2:	N-3:N-3:	C[6,6]-4:C[6a]-3:C-2:	C[6,6]-4:C[6a]-3:C-2:	C(NC[6,6]C[6a])2	N(C[6,6]C[3x6]2H)(C[6a]C[6a]2)(CN)	N(C[6,6]C[3x6]2H)(C[6a]C[6a]2)(CN)	C(NC[6,6]C[6a])2	N(C[6,6]C[3x6]2H)(C[6a]C[6a]2)(CN)	N(C[6,6]C[3x6]2H)(C[6a]C[6a]2)(CN)	112.8335	0.740	2	112.8335	0.548	2	112.8335	0.548	2	112.8335	0.548	2	112.8335	0.548	2	112.8335	0.548	2
983	956	983	0:SP1_SP1_SP2	C	N	C	2:3:	4:4:2:	3:2:	C-2:N-3:	S-4:S-4:C-2:	C[6a]-3:C-2:	C(CC[6a])(NSS)	N(SC[6a]OO)2(CC)	C(C[6a]C[6a]2)(CN)	C(CC[6a])(NSS)	N(SC[6a]OO)2(CC)	C(C[6a]C[6a]2)(CN)	178.6735	0.974	2	178.6735	0.948	2	178.6735	0.948	2	178.6735	0.948	2	173.4135	331.565	15	173.4135	331.565	15
983	956	983	0:SP1_SP1_SP2	C	N	C	3:2:	3:3:2:	2:1:	N-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C-2:H-1:	C(NC[6a]2)(CH)	N(C[6a]C[6a]2)2(CC)	C(CN)(H)	C(NC[6a]2)(CH)	N(C[6a]C[6a]2)2(CC)	C(CN)(H)	178.7140	0.025	2	178.7140	0.001	2	178.7140	0.001	2	178.7140	0.001	2	173.4135	331.565	15	173.4135	331.565	15
983	956	983	0:SP1_SP1_SP2	C	N	C	3:2:	3:3:2:	2:2:	N-3:C-2:	C-3:C-3:C-2:	C-2:C-2:	C(NCC)(CC)	N(CC[5a]O)2(CC)	C(CC)(CN)	C(NCC)(CC)	N(CC[5a]O)2(CC)	C(CC)(CN)	107.7020	0.000	1	107.7020	0.000	1	107.7020	0.000	1	168.9149	612.768	8	173.4135	331.565	15	173.4135	331.565	15
983	956	983	0:SP1_SP1_SP2	C	N	C	3:2:	3:3:2:	2:2:	N-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C-2:C-2:	C(NC[6a]2)(CC)	N(C[6a]C[6a]2)2(CC)	C(CC)(CN)	C(NC[6a]2)(CC)	N(C[6a]C[6a]2)2(CC)	C(CC)(CN)	177.6596	1.085	7	177.6596	1.178	7	177.6596	1.178	7	168.9149	612.768	8	173.4135	331.565	15	173.4135	331.565	15
983	956	983	0:SP1_SP1_SP2	C	N	C	3:2:	3:3:2:	3:2:	N-3:C-2:	C[6a]-3:C-3:C-2:	C-3:C-2:	C(NC[6a]C)(CC)	N(C[6a]C[6a]2)(COO)(CC)	C(CCN)(CN)	C(NC[6a]C)(CC)	N(C[6a]C[6a]2)(COO)(CC)	C(CCN)(CN)	176.7210	0.000	1	176.7210	0.000	1	176.7210	0.000	1	176.7210	0.000	1	173.4135	331.565	15	173.4135	331.565	15
983	956	983	0:SP1_SP1_SP2	C	N	C	3:2:	3:4:2:	3:2:	N-3:C-2:	C[6a]-3:S-4:C-2:	C-3:C-2:	C(NC[6a]S)(CC)	N(C[6a]C[6a]2)(SC[6a]OO)(CC)	C(CC[6a]O)(CN)	C(NC[6a]S)(CC)	N(C[6a]C[6a]2)(SC[6a]OO)(CC)	C(CC[6a]O)(CN)	179.6440	0.000	1	179.6440	0.000	1	179.6440	0.000	1	179.6440	0.000	1	173.4135	331.565	15	173.4135	331.565	15
983	956	983	0:SP1_SP1_SP2	C	N	C	3:2:	4:4:2:	2:2:	N-3:C-2:	C-4:C-4:C-2:	C-2:C-2:	C(NCC)(CC)	N(CCCH)2(CC)	C(CC)(CN)	C(NCC)(CC)	N(CCCH)2(CC)	C(CC)(CN)	178.7430	0.000	1	178.7430	0.000	1	178.7430	0.000	1	178.7430	0.000	1	173.4135	331.565	15	173.4135	331.565	15
983	956	983	0:SP1_SP1_SP3	C	N	C	2:3:	4:4:2:	3:2:	C-2:N-3:	C-4:C-4:C-2:	C[6a]-3:C-2:	C(CC[6a])(NCC)	N(CH3)2(CC)	C(C[6a]N[6a]2)(CN)	C(CC[6a])(NCC)	N(CH3)2(CC)	C(C[6a]N[6a]2)(CN)	178.8040	0.000	1	178.8040	0.000	1	178.8040	0.000	1	178.8040	0.000	1	139.3035	1155.980	17	139.3035	1155.980	17
983	956	983	0:SP1_SP1_SP3	C	N	C	3:2:	2:1:1:	2:1:	N-3:C-2:	C-2:H-1:H-1:	C-2:H-1:	C(NHH)(CH)	N(CC)(H)2	C(CN)(H)	C(NHH)(CH)	N(CC)(H)2	C(CN)(H)	178.7300	0.000	1	178.7300	0.000	1	178.7300	0.000	1	178.7300	0.000	1	139.3035	1155.980	17	139.3035	1155.980	17
983	956	983	0:SP1_SP1_SP3	C	N	C	3:2:	2:2:2:	2:1:	N-3:C-2:	C-2:C-2:C-2:	C-2:N-1:	C(NCC)(CN)	N(CC)3	C(CN)(N)	C(NCC)(CN)	N(CC)3	C(CN)(N)	111.0835	1.474	6	111.0835	2.173	6	111.0835	2.173	6	111.0835	2.173	6	139.3035	1155.980	17	139.3035	1155.980	17
983	956	983	0:SP1_SP1_SP3	C	N	C	3:2:	2:2:2:	3:2:	N-3:C-2:	C-2:C-2:C-2:	N-3:C-2:	C(NCC)(CN)	N(CC)(CS)2	C(NCC)(CN)	C(NCC)(CN)	N(CC)(CS)2	C(NCC)(CN)	112.7182	2.781	4	112.7182	7.731	4	112.7182	7.731	4	112.7182	7.731	4	139.3035	1155.980	17	139.3035	1155.980	17
983	956	983	0:SP1_SP1_SP3	C	N	C	3:2:	3:3:2:	3:2:	N-3:C-2:	P-3:P-3:C-2:	P-3:C-2:	C(NPP)(CP)	N(PC[6]2)2(CC)	C(PC[6]2)(CN)	C(NPP)(CP)	N(PC[6]2)2(CC)	C(PC[6]2)(CN)	179.1860	0.000	1	179.1860	0.000	1	179.1860	0.000	1	179.1860	0.000	1	139.3035	1155.980	17	139.3035	1155.980	17
983	956	983	0:SP1_SP1_SP3	C	N	C	3:2:	4:4:2:	2:2:	N-3:C-2:	C-4:C-4:C-2:	C-2:C-2:	C(NCC)(CC)	N(CCCH)2(CC)	C(CC)(CN)	C(NCC)(CC)	N(CCCH)2(CC)	C(CC)(CN)	178.9690	0.000	1	178.9690	0.000	1	178.9690	0.000	1	178.9690	0.000	1	139.3035	1155.980	17	139.3035	1155.980	17
983	956	983	0:SP1_SP1_SP3	C	N	C	3:2:	4:4:2:	3:2:	N-3:C-2:	C-4:S-4:C-2:	C-3:C-2:	C(NCS)(CC)	N(CC[6a]HH)(SC[6a]OO)(CC)	C(COO)(CN)	C(NCS)(CC)	N(CC[6a]HH)(SC[6a]OO)(CC)	C(COO)(CN)	178.4660	0.000	1	178.4660	0.000	1	178.4660	0.000	1	178.2730	0.074	2	139.3035	1155.980	17	139.3035	1155.980	17
983	956	983	0:SP1_SP1_SP3	C	N	C	3:2:	4:4:2:	3:2:	N-3:C-2:	P[6]-4:C-4:C-2:	C[6a]-3:C-2:	C(NP[6]C)(CC[6a])	N(P[6]O[6]2O)(CC[6a]HH)(CC)	C(C[6a]C[6a]2)(CN)	C(NP[6]C)(CC[6a])	N(P[6]O[6]2O)(CC[6a]HH)(CC)	C(C[6a]C[6a]2)(CN)	178.0800	0.000	1	178.0800	0.000	1	178.0800	0.000	1	178.2730	0.074	2	139.3035	1155.980	17	139.3035	1155.980	17
983	956	983	0:SP1_SP1_SP3	C	N	C	3:2:	4:4:2:	4:2:	N-3:C-2:	C-4:S-4:C-2:	C-4:C-2:	C(NCS)(CC)	N(CC[6a]HH)(SC[6a]OO)(CC)	C(CC[6a]HN)(CN)	C(NCS)(CC)	N(CC[6a]HH)(SC[6a]OO)(CC)	C(CC[6a]HN)(CN)	178.5500	0.000	1	178.5500	0.000	1	178.5500	0.000	1	178.5500	0.000	1	139.3035	1155.980	17	139.3035	1155.980	17
983	969	983	0:SP1_SP-NON_SP1	C	Ga	C	2:3:	4:4:2:	3:2:	C-2:Ga-3:	C-4:C-4:C-2:	C[6]-3:C-2:	C(CC[6])(GaCC)	Ga(CCHH)2(CC)	C(C[6]C[6]2)(CGa)	C(CC[6])(GaCC)	Ga(CCHH)2(CC)	C(C[6]C[6]2)(CGa)	174.1260	0.000	1	174.1260	0.000	1	174.1260	0.000	1	174.1260	0.000	1	176.8820	5.770	3	176.8820	5.770	3
983	969	983	0:SP1_SP-NON_SP1	C	Ga	C	3:2:	2:2:2:	4:2:	Ga-3:C-2:	C-2:C-2:C-2:	C-4:C-2:	C(GaCC)(CC)	Ga(CC)3	C(CC3)(CGa)	C(GaCC)(CC)	Ga(CC)3	C(CC3)(CGa)	178.2600	0.383	2	178.2600	0.147	2	178.2600	0.147	2	178.2600	0.147	2	176.8820	5.770	3	176.8820	5.770	3
983	977	977	0:SP1_SP-NON_SP-NON	C	S	S	1:1:	2:	2:	S-1:S-1:	C-2:	C-2:	C(S)2	S(CS)	S(CS)	C(S)2	S(CS)	S(CS)	178.0057	3.032	128	178.0057	9.194	128	178.0057	9.194	128	178.0057	9.194	128	178.0057	9.194	128	178.0057	9.194	128
983	979	983	0:SP1_SP1_SP2	C	Si	C	3:2:	3:3:2:	4:2:	Si-3:C-2:	C[6a]-3:Si-3:C-2:	Si-4:C-2:	C(SiC[6a]Si)(CSi)	Si(C[6a]C[6a]2)(SiC[6a]C)(CC)	C(SiC3)(CSi)	C(SiC[6a]Si)(CSi)	Si(C[6a]C[6a]2)(SiC[6a]C)(CC)	C(SiC3)(CSi)	176.3880	0.000	1	176.3880	0.000	1	176.3880	0.000	1	176.3880	0.000	1	176.3880	0.000	1	176.3880	0.000	1
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	2:1:	2:1:	C-2:C-2:	C-2:Br-1:	C-2:N-1:	C(CBr)(CN)	C(CC)(Br)	C(CC)(N)	C(CBr)(CN)	C(CC)(Br)	C(CC)(N)	178.8180	0.000	1	178.8180	0.000	1	178.8180	0.000	1	118.4301	579.710	16	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	2:1:	2:1:	C-2:C-2:	C-2:C-1:	C-2:C-1:	C(CC)2	C(CC)(C)	C(CC)(C)	C(CC)2	C(CC)(C)	C(CC)(C)	180.0000	0.000	1	180.0000	0.000	1	180.0000	0.000	1	118.4301	579.710	16	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	2:1:	2:1:	C-2:C-2:	C-2:C-1:	C-2:N-1:	C(CC)(CN)	C(CC)(C)	C(CC)(N)	C(CC)(CN)	C(CC)(C)	C(CC)(N)	114.4870	0.000	1	114.4870	0.000	1	114.4870	0.000	1	118.4301	579.710	16	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	2:1:	2:1:	C-2:C-2:	C-2:C-1:	C-2:O-1:	C(CC)(CO)	C(CC)(C)	C(CC)(O)	C(CC)(CO)	C(CC)(C)	C(CC)(O)	108.8812	2.059	5	108.8812	4.242	5	108.8812	4.242	5	118.4301	579.710	16	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	2:1:	2:1:	C-2:C-2:	C-2:N-1:	C-2:N-1:	C(CN)2	C(CC)(N)	C(CC)(N)	C(CN)2	C(CC)(N)	C(CC)(N)	110.7361	3.784	7	110.7361	14.317	7	110.7361	14.317	7	118.4301	579.710	16	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	2:1:	2:1:	C-2:C-2:	C-2:O-1:	C-2:O-1:	C(CO)2	C(CC)(O)	C(CC)(O)	C(CO)2	C(CC)(O)	C(CC)(O)	102.0170	0.000	1	102.0170	0.000	1	102.0170	0.000	1	118.4301	579.710	16	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	2:1:	2:2:	C-2:C-2:	C-2:Br-1:	C-2:C-2:	C(CBr)(CC)	C(CC)(Br)	C(CC)2	C(CBr)(CC)	C(CC)(Br)	C(CC)2	179.5100	0.000	1	179.5100	0.000	1	179.5100	0.000	1	134.8111	955.297	39	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	2:1:	2:2:	C-2:C-2:	C-2:C-1:	C-2:C-2:	C(CC)2	C(CC)(C)	C(CC)2	C(CC)2	C(CC)(C)	C(CC)2	122.0367	23.764	13	122.0367	564.715	13	122.0367	564.715	13	134.8111	955.297	39	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	2:1:	2:2:	C-2:C-2:	C-2:Cl-1:	C-2:C-2:	C(CCl)(CC)	C(CC)(Cl)	C(CC)2	C(CCl)(CC)	C(CC)(Cl)	C(CC)2	178.9720	0.000	1	178.9720	0.000	1	178.9720	0.000	1	134.8111	955.297	39	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	2:1:	2:2:	C-2:C-2:	C-2:H-1:	C-2:C-2:	C(CC)(CH)	C(CC)(H)	C(CC)2	C(CC)(CH)	C(CC)(H)	C(CC)2	178.7767	0.526	3	178.7767	0.276	3	178.7767	0.276	3	134.8111	955.297	39	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	2:1:	2:2:	C-2:C-2:	C-2:I-1:	C-2:C-2:	C(CC)(CI)	C(CC)(I)	C(CC)2	C(CC)(CI)	C(CC)(I)	C(CC)2	178.1578	1.071	5	178.1578	1.146	5	178.1578	1.146	5	134.8111	955.297	39	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	2:1:	2:2:	C-2:C-2:	C-2:N-1:	C-2:C-2:	C(CC)(CN)	C(CC)(N)	C(CC)2	C(CC)(CN)	C(CC)(N)	C(CC)2	117.8473	15.603	16	117.8473	243.467	16	117.8473	243.467	16	134.8111	955.297	39	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	2:2:	2:1:	C-2:C-2:	C-2:C-2:	C-2:C-1:	C(CC)2	C(CC)(CN)	C(CC)(C)	C(CC)2	C(CC)(CN)	C(CC)(C)	127.7320	30.731	2	127.7320	944.386	2	127.7320	944.386	2	167.5987	550.926	49	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	2:2:	2:1:	C-2:C-2:	C-2:C-2:	C-2:H-1:	C(CC)(CH)	C(CAu)(CC)	C(CC)(H)	C(CC)(CH)	C(CAu)(CC)	C(CC)(H)	178.3945	0.421	2	178.3945	0.177	2	177.8907	3.165	34	167.5987	550.926	49	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	2:2:	2:1:	C-2:C-2:	C-2:C-2:	C-2:H-1:	C(CC)(CH)	C(CC)(CW)	C(CC)(H)	C(CC)(CH)	C(CC)(CW)	C(CC)(H)	178.0335	1.824	2	178.0335	3.326	2	177.8907	3.165	34	167.5987	550.926	49	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	2:2:	2:1:	C-2:C-2:	C-2:C-2:	C-2:H-1:	C(CC)(CH)	C(CC[3])(CC)	C(CC)(H)	C(CC)(CH)	C(CC[3])(CC)	C(CC)(H)	178.7160	0.000	1	178.7160	0.000	1	177.8907	3.165	34	167.5987	550.926	49	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	2:2:	2:1:	C-2:C-2:	C-2:C-2:	C-2:H-1:	C(CC)(CH)	C(CC[3x6])(CC)	C(CC)(H)	C(CC)(CH)	C(CC[3x6])(CC)	C(CC)(H)	177.5225	1.615	4	177.5225	2.607	4	177.8907	3.165	34	167.5987	550.926	49	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	2:2:	2:1:	C-2:C-2:	C-2:C-2:	C-2:H-1:	C(CC)(CH)	C(CC[5])(CC)	C(CC)(H)	C(CC)(CH)	C(CC[5])(CC)	C(CC)(H)	179.4750	0.236	2	179.4750	0.056	2	177.8907	3.165	34	167.5987	550.926	49	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	2:2:	2:1:	C-2:C-2:	C-2:C-2:	C-2:H-1:	C(CC)(CH)	C(CC[6])(CC)	C(CC)(H)	C(CC)(CH)	C(CC[6])(CC)	C(CC)(H)	179.7140	0.000	1	179.7140	0.000	1	177.8907	3.165	34	167.5987	550.926	49	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	2:2:	2:1:	C-2:C-2:	C-2:C-2:	C-2:H-1:	C(CC)(CH)	C(CC[6a])(CC)	C(CC)(H)	C(CC)(CH)	C(CC[6a])(CC)	C(CC)(H)	178.4740	0.734	8	178.4740	0.539	8	177.8907	3.165	34	167.5987	550.926	49	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	2:2:	2:1:	C-2:C-2:	C-2:C-2:	C-2:H-1:	C(CC)(CH)	C(CCo)(CC)	C(CC)(H)	C(CC)(CH)	C(CCo)(CC)	C(CC)(H)	178.7113	0.300	3	178.7113	0.090	3	177.8907	3.165	34	167.5987	550.926	49	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	2:2:	2:1:	C-2:C-2:	C-2:C-2:	C-2:H-1:	C(CC)(CH)	C(CCr)(CC)	C(CC)(H)	C(CC)(CH)	C(CCr)(CC)	C(CC)(H)	178.3370	0.047	2	178.3370	0.002	2	177.8907	3.165	34	167.5987	550.926	49	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	2:2:	2:1:	C-2:C-2:	C-2:C-2:	C-2:H-1:	C(CC)(CH)	C(CNi)(CC)	C(CC)(H)	C(CC)(CH)	C(CNi)(CC)	C(CC)(H)	178.6210	0.000	1	178.6210	0.000	1	177.8907	3.165	34	167.5987	550.926	49	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	2:2:	2:1:	C-2:C-2:	C-2:C-2:	C-2:H-1:	C(CC)(CH)	C(CPt)(CC)	C(CC)(H)	C(CC)(CH)	C(CPt)(CC)	C(CC)(H)	174.8028	3.176	4	174.8028	10.085	4	177.8907	3.165	34	167.5987	550.926	49	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	2:2:	2:1:	C-2:C-2:	C-2:C-2:	C-2:H-1:	C(CC)(CH)	C(CRu)(CC)	C(CC)(H)	C(CC)(CH)	C(CRu)(CC)	C(CC)(H)	177.3813	1.140	4	177.3813	1.299	4	177.8907	3.165	34	167.5987	550.926	49	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	2:2:	2:1:	C-2:C-2:	C-2:C-2:	C-2:I-1:	C(CC)(CI)	C(CC)(CI)	C(CC)(I)	C(CC)(CI)	C(CC)(CI)	C(CC)(I)	175.6920	1.908	7	175.6920	3.640	7	167.2096	578.725	8	167.5987	550.926	49	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	2:2:	2:1:	C-2:C-2:	C-2:C-2:	C-2:I-1:	C(CC)(CI)	C(CC)(CN)	C(CC)(I)	C(CC)(CI)	C(CC)(CN)	C(CC)(I)	107.8330	0.000	1	107.8330	0.000	1	167.2096	578.725	8	167.5987	550.926	49	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	2:2:	2:1:	C-2:C-2:	C-2:C-2:	C-2:N-1:	C(CC)(CN)	C(CC)(CI)	C(CC)(N)	C(CC)(CN)	C(CC)(CI)	C(CC)(N)	109.5830	0.000	1	109.5830	0.000	1	114.1824	74.162	5	167.5987	550.926	49	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	2:2:	2:1:	C-2:C-2:	C-2:C-2:	C-2:N-1:	C(CC)(CN)	C(CC)(CN)	C(CC)(N)	C(CC)(CN)	C(CC)(CN)	C(CC)(N)	115.3323	9.490	4	115.3323	90.069	4	114.1824	74.162	5	167.5987	550.926	49	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	2:2:	2:2:	C-2:C-2:	C-2:C-2:	C-2:C-2:	C(CC)2	C(CAu)(CC)	C(CC)2	C(CC)2	C(CAu)(CC)	C(CC)2	178.9790	0.000	1	178.9790	0.000	1	138.9675	1046.535	106	139.0382	1054.567	120	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	2:2:	2:2:	C-2:C-2:	C-2:C-2:	C-2:C-2:	C(CC)2	C(CC)(CH)	C(CC)2	C(CC)2	C(CC)(CH)	C(CC)2	178.0675	0.125	2	178.0675	0.016	2	138.9675	1046.535	106	139.0382	1054.567	120	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	2:2:	2:2:	C-2:C-2:	C-2:C-2:	C-2:C-2:	C(CC)2	C(CC)(CI)	C(CC)2	C(CC)2	C(CC)(CI)	C(CC)2	177.8947	0.857	4	177.8947	0.735	4	138.9675	1046.535	106	139.0382	1054.567	120	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	2:2:	2:2:	C-2:C-2:	C-2:C-2:	C-2:C-2:	C(CC)2	C(CC)(CN)	C(CC)(CN)	C(CC)2	C(CC)(CN)	C(CC)(CN)	115.1220	0.000	1	115.1220	0.000	1	138.9675	1046.535	106	139.0382	1054.567	120	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	2:2:	2:2:	C-2:C-2:	C-2:C-2:	C-2:C-2:	C(CC)2	C(CC)(CN)	C(CC)2	C(CC)2	C(CC)(CN)	C(CC)2	116.5226	16.383	17	116.5226	268.392	17	138.9675	1046.535	106	139.0382	1054.567	120	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	2:2:	2:2:	C-2:C-2:	C-2:C-2:	C-2:C-2:	C(CC)2	C(CC)(CW)	C(CC)2	C(CC)2	C(CC)(CW)	C(CC)2	179.4455	0.231	2	179.4455	0.053	2	138.9675	1046.535	106	139.0382	1054.567	120	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	2:2:	2:2:	C-2:C-2:	C-2:C-2:	C-2:C-2:	C(CC)2	C(CC)2	C(CC)2	C(CC)2	C(CC)2	C(CC)2	114.6481	11.468	48	114.6481	131.513	48	138.9675	1046.535	106	139.0382	1054.567	120	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	2:2:	2:2:	C-2:C-2:	C-2:C-2:	C-2:C-2:	C(CC)2	C(CC[5])(CC)	C(CC)2	C(CC)2	C(CC[5])(CC)	C(CC)2	177.8665	2.590	2	177.8665	6.709	2	138.9675	1046.535	106	139.0382	1054.567	120	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	2:2:	2:2:	C-2:C-2:	C-2:C-2:	C-2:C-2:	C(CC)2	C(CC[5a])(CC)	C(CC)2	C(CC)2	C(CC[5a])(CC)	C(CC)2	178.3575	0.811	2	178.3575	0.658	2	138.9675	1046.535	106	139.0382	1054.567	120	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	2:2:	2:2:	C-2:C-2:	C-2:C-2:	C-2:C-2:	C(CC)2	C(CC[6a])(CC)	C(CC)2	C(CC)2	C(CC[6a])(CC)	C(CC)2	178.6984	0.873	8	178.6984	0.763	8	138.9675	1046.535	106	139.0382	1054.567	120	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	2:2:	2:2:	C-2:C-2:	C-2:C-2:	C-2:C-2:	C(CC)2	C(CCo)(CC)	C(CC)2	C(CC)2	C(CCo)(CC)	C(CC)2	178.3264	0.586	5	178.3264	0.344	5	138.9675	1046.535	106	139.0382	1054.567	120	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	2:2:	2:2:	C-2:C-2:	C-2:C-2:	C-2:C-2:	C(CC)2	C(CFe)(CC)	C(CC)2	C(CC)2	C(CFe)(CC)	C(CC)2	178.1130	2.319	2	178.1130	5.379	2	138.9675	1046.535	106	139.0382	1054.567	120	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	2:2:	2:2:	C-2:C-2:	C-2:C-2:	C-2:C-2:	C(CC)2	C(CPt)(CC)	C(CC)2	C(CC)2	C(CPt)(CC)	C(CC)2	178.7270	0.410	4	178.7270	0.168	4	138.9675	1046.535	106	139.0382	1054.567	120	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	2:2:	2:2:	C-2:C-2:	C-2:C-2:	C-2:C-2:	C(CC)2	C(CRu)(CC)	C(CC)(CN)	C(CC)2	C(CRu)(CC)	C(CC)(CN)	178.0060	0.000	1	178.0060	0.000	1	138.9675	1046.535	106	139.0382	1054.567	120	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	2:2:	2:2:	C-2:C-2:	C-2:C-2:	C-2:C-2:	C(CC)2	C(CRu)(CC)	C(CC)2	C(CC)2	C(CRu)(CC)	C(CC)2	178.6765	0.479	2	178.6765	0.229	2	138.9675	1046.535	106	139.0382	1054.567	120	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	2:2:	2:2:	C-2:C-2:	C-2:C-2:	C-2:C-2:	C(CC)2	C(CSi)(CC)	C(CC)2	C(CC)2	C(CSi)(CC)	C(CC)2	177.1386	1.997	5	177.1386	3.989	5	138.9675	1046.535	106	139.0382	1054.567	120	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	2:2:	2:2:	C-2:C-2:	C-2:C-2:	C-2:S-2:	C(CC)(CS)	C(CC)(CS)	C(CC)(SC)	C(CC)(CS)	C(CC)(CS)	C(CC)(SC)	177.9600	1.009	6	177.9600	1.019	6	177.9600	1.019	6	139.0382	1054.567	120	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	2:2:	2:2:	C-2:C-2:	S-2:C-2:	C-2:C-2:	C(CC)(CS)	C(SC[6])(CC)	C(CC)(CS)	C(CC)(CS)	C(SC[6])(CC)	C(CC)(CS)	116.6410	0.192	2	116.6410	0.037	2	116.6410	0.037	2	139.0382	1054.567	120	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	2:2:	2:2:	C-2:C-2:	S-2:C-2:	S-2:C-2:	C(CS)2	C(SC[5])(CC)	C(SC[5])(CC)	C(CS)2	C(SC[5])(CC)	C(SC[5])(CC)	108.8318	2.623	6	108.8318	6.882	6	108.8318	6.882	6	139.0382	1054.567	120	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	2:2:	3:2:	C-2:C-2:	C-2:C-2:	C-3:C-2:	C(CC)2	C(CC[5a])(CC)	C(COO)(CC)	C(CC)2	C(CC[5a])(CC)	C(COO)(CC)	178.9850	0.049	2	178.9850	0.002	2	178.7393	0.182	3	176.8900	13.802	4	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	2:2:	3:2:	C-2:C-2:	C-2:C-2:	C-3:C-2:	C(CC)2	C(CN[5])(CC)	C(COO)(CC)	C(CC)2	C(CN[5])(CC)	C(COO)(CC)	178.2480	0.000	1	178.2480	0.000	1	178.7393	0.182	3	176.8900	13.802	4	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	2:2:	3:2:	C-2:C-2:	C-2:C-2:	N-3:C-2:	C(CC)(CN)	C(CC[6a])(CC)	C(NCC)(CC)	C(CC)(CN)	C(CC[6a])(CC)	C(NCC)(CC)	171.3420	0.000	1	171.3420	0.000	1	171.3420	0.000	1	176.8900	13.802	4	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	2:2:	4:2:	C-2:C-2:	C-2:C-2:	C-4:C-2:	C(CC)2	C(CC[6a])(CC)	C(CCCO)(CC)	C(CC)2	C(CC[6a])(CC)	C(CCCO)(CC)	178.6050	0.280	3	178.6050	0.078	3	178.4949	0.114	9	178.1807	0.535	12	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	2:2:	4:2:	C-2:C-2:	C-2:C-2:	C-4:C-2:	C(CC)2	C(CC[6a])(CC)	C(CCHH)(CC)	C(CC)2	C(CC[6a])(CC)	C(CCHH)(CC)	178.4940	0.779	2	178.4940	0.607	2	178.4949	0.114	9	178.1807	0.535	12	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	2:2:	4:2:	C-2:C-2:	C-2:C-2:	C-4:C-2:	C(CC)2	C(CC[6a])(CC)	C(CCHO)(CC)	C(CC)2	C(CC[6a])(CC)	C(CCHO)(CC)	178.3320	0.000	1	178.3320	0.000	1	178.4949	0.114	9	178.1807	0.535	12	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	2:2:	4:2:	C-2:C-2:	C-2:C-2:	C-4:C-2:	C(CC)2	C(CC[6a])(CC)	C(CH3)(CC)	C(CC)2	C(CC[6a])(CC)	C(CH3)(CC)	178.5070	0.215	2	178.5070	0.046	2	178.4949	0.114	9	178.1807	0.535	12	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	2:2:	4:2:	C-2:C-2:	C-2:C-2:	C-4:C-2:	C(CC)2	C(CC[6a])(CC)	C(CHOO)(CC)	C(CC)2	C(CC[6a])(CC)	C(CHOO)(CC)	178.3050	0.000	1	178.3050	0.000	1	178.4949	0.114	9	178.1807	0.535	12	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	2:2:	4:2:	C-2:C-2:	C-2:C-2:	Si-4:C-2:	C(CSi)(CC)	C(CC[5])(CC)	C(SiC3)(CC)	C(CSi)(CC)	C(CC[5])(CC)	C(SiC3)(CC)	178.1740	0.000	1	178.1740	0.000	1	177.2383	0.713	3	178.1807	0.535	12	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	2:2:	4:2:	C-2:C-2:	C-2:C-2:	Si-4:C-2:	C(CSi)(CC)	C(CC[6])(CC)	C(SiC3)(CC)	C(CSi)(CC)	C(CC[6])(CC)	C(SiC3)(CC)	177.0080	0.000	1	177.0080	0.000	1	177.2383	0.713	3	178.1807	0.535	12	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	2:2:	4:2:	C-2:C-2:	C-2:C-2:	Si-4:C-2:	C(CSi)(CC)	C(CC[6a])(CC)	C(SiC3)(CC)	C(CSi)(CC)	C(CC[6a])(CC)	C(SiC3)(CC)	176.5330	0.000	1	176.5330	0.000	1	177.2383	0.713	3	178.1807	0.535	12	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	3:2:	2:1:	C-2:C-2:	C-3:C-2:	C-2:C-1:	C(CC)2	C(CCN)(CC)	C(CC)(C)	C(CC)2	C(CCN)(CC)	C(CC)(C)	109.7350	0.000	1	109.7350	0.000	1	109.7350	0.000	1	136.3108	1398.305	5	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	3:2:	2:1:	C-2:C-2:	C-3:C-2:	C-2:N-1:	C(CC)(CN)	C(CCC)(CC)	C(CC)(N)	C(CC)(CN)	C(CCC)(CC)	C(CC)(N)	111.7150	0.000	1	111.7150	0.000	1	145.3505	2262.694	2	136.3108	1398.305	5	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	3:2:	2:1:	C-2:C-2:	C-3:C-2:	C-2:N-1:	C(CC)(CN)	C(CCH)(CC)	C(CC)(N)	C(CC)(CN)	C(CCH)(CC)	C(CC)(N)	178.9860	0.000	1	178.9860	0.000	1	145.3505	2262.694	2	136.3108	1398.305	5	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	3:2:	2:1:	C-2:C-2:	C[6a]-3:C-2:	C-2:N-1:	C(CC[6a])(CN)	C(C[6a]C[6a,6a]C[6a])(CC)	C(CC)(N)	C(CC[6a])(CN)	C(C[6a]C[6a,6a]C[6a])(CC)	C(CC)(N)	175.3780	0.000	1	175.3780	0.000	1	175.3780	0.000	1	136.3108	1398.305	5	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	3:2:	2:1:	C-2:C-2:	N[6]-3:C-2:	C-2:C-1:	C(CN[6])(CC)	C(N[6]C[6]2)(CC)	C(CC)(C)	C(CN[6])(CC)	C(N[6]C[6]2)(CC)	C(CC)(C)	105.7400	0.000	1	105.7400	0.000	1	105.7400	0.000	1	136.3108	1398.305	5	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	3:2:	2:2:	C-2:C-2:	C-3:C-2:	C-2:C-2:	C(CC)2	C(CCC)(CC)	C(CC)2	C(CC)2	C(CCC)(CC)	C(CC)2	175.6932	3.122	30	175.6932	9.747	30	174.4651	144.037	61	174.8418	103.581	341	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	3:2:	2:2:	C-2:C-2:	C-3:C-2:	C-2:C-2:	C(CC)2	C(CCC)(CC)	C(CRu)(CC)	C(CC)2	C(CCC)(CC)	C(CRu)(CC)	177.3440	0.000	1	177.3440	0.000	1	174.4651	144.037	61	174.8418	103.581	341	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	3:2:	2:2:	C-2:C-2:	C-3:C-2:	C-2:C-2:	C(CC)2	C(CCH)(CC)	C(CC)2	C(CC)2	C(CCH)(CC)	C(CC)2	177.4800	0.927	21	177.4800	0.859	21	174.4651	144.037	61	174.8418	103.581	341	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	3:2:	2:2:	C-2:C-2:	C-3:C-2:	C-2:C-2:	C(CC)2	C(CC[5]H)(CC)	C(CC)2	C(CC)2	C(CC[5]H)(CC)	C(CC)2	177.9785	1.150	2	177.9785	1.324	2	174.4651	144.037	61	174.8418	103.581	341	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	3:2:	2:2:	C-2:C-2:	C-3:C-2:	C-2:C-2:	C(CC)2	C(CC[6a]2)(CC)	C(CC)2	C(CC)2	C(CC[6a]2)(CC)	C(CC)2	177.9280	0.000	1	177.9280	0.000	1	174.4651	144.037	61	174.8418	103.581	341	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	3:2:	2:2:	C-2:C-2:	C-3:C-2:	C-2:C-2:	C(CC)2	C(CC[6a]C)(CC)	C(CC)2	C(CC)2	C(CC[6a]C)(CC)	C(CC)2	178.3400	1.653	2	178.3400	2.733	2	174.4651	144.037	61	174.8418	103.581	341	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	3:2:	2:2:	C-2:C-2:	C-3:C-2:	C-2:C-2:	C(CC)2	C(CC[6a]P)(CC)	C(CC[6a])(CC)	C(CC)2	C(CC[6a]P)(CC)	C(CC[6a])(CC)	177.1230	0.000	1	177.1230	0.000	1	174.4651	144.037	61	174.8418	103.581	341	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	3:2:	2:2:	C-2:C-2:	C-3:C-2:	C-2:C-2:	C(CC)2	C(COO)(CC)	C(CC)2	C(CC)2	C(COO)(CC)	C(CC)2	111.1690	0.486	2	111.1690	0.237	2	174.4651	144.037	61	174.8418	103.581	341	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	3:2:	2:2:	C-2:C-2:	C-3:C-2:	C-2:C-2:	C(CC)2	C(CPtW)(CC)	C(CC)2	C(CC)2	C(CPtW)(CC)	C(CC)2	177.1260	0.000	1	177.1260	0.000	1	174.4651	144.037	61	174.8418	103.581	341	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	3:2:	2:2:	C-2:C-2:	C[5]-3:C-2:	C-2:C-2:	C(CC[5])(CC)	C(C[5]C[5]2)(CC)	C(CC)2	C(CC[5])(CC)	C(C[5]C[5]2)(CC)	C(CC)2	175.7675	1.025	2	175.7675	1.050	2	176.5709	6.836	14	174.8418	103.581	341	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	3:2:	2:2:	C-2:C-2:	C[5]-3:C-2:	C-2:C-2:	C(CC[5])(CC)	C(C[5]C[5]2)(CC)	C(CC[6a])(CC)	C(CC[5])(CC)	C(C[5]C[5]2)(CC)	C(CC[6a])(CC)	177.5820	0.000	1	177.5820	0.000	1	176.5709	6.836	14	174.8418	103.581	341	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	3:2:	2:2:	C-2:C-2:	C[5]-3:C-2:	C-2:C-2:	C(CC[5])(CC)	C(C[5]C[5]N[5])(CC)	C(CC[5])(CC)	C(CC[5])(CC)	C(C[5]C[5]N[5])(CC)	C(CC[5])(CC)	175.9135	1.006	2	175.9135	1.012	2	176.5709	6.836	14	174.8418	103.581	341	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	3:2:	2:2:	C-2:C-2:	C[5]-3:C-2:	C-2:C-2:	C(CC[5])(CC)	C(C[5]C[5]S[5])(CC)	C(CC)(CH)	C(CC[5])(CC)	C(C[5]C[5]S[5])(CC)	C(CC)(CH)	178.3610	0.000	1	178.3610	0.000	1	176.5709	6.836	14	174.8418	103.581	341	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	3:2:	2:2:	C-2:C-2:	C[5]-3:C-2:	C-2:C-2:	C(CC[5])(CC)	C(C[5]C[5]S[5])(CC)	C(CC[5])(CC)	C(CC[5])(CC)	C(C[5]C[5]S[5])(CC)	C(CC[5])(CC)	177.5402	1.480	6	177.5402	2.190	6	176.5709	6.836	14	174.8418	103.581	341	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	3:2:	2:2:	C-2:C-2:	C[5]-3:C-2:	C-2:C-2:	C(CC[5])(CC)	C(C[5]C[5]S[5])(CC)	C(CC[5a])(CC)	C(CC[5])(CC)	C(C[5]C[5]S[5])(CC)	C(CC[5a])(CC)	168.8440	0.000	1	168.8440	0.000	1	176.5709	6.836	14	174.8418	103.581	341	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	3:2:	2:2:	C-2:C-2:	C[5]-3:C-2:	C-2:C-2:	C(CC[5])(CC)	C(C[5]C[5]S[5])(CC)	C(CSi)(CC)	C(CC[5])(CC)	C(C[5]C[5]S[5])(CC)	C(CSi)(CC)	178.6020	0.000	1	178.6020	0.000	1	176.5709	6.836	14	174.8418	103.581	341	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	3:2:	2:2:	C-2:C-2:	C[5a]-3:C-2:	C-2:C-2:	C(CC[5a])(CC)	C(C[5a]C[5a]2)(CC)	C(CC[5a])(CC)	C(CC[5a])(CC)	C(C[5a]C[5a]2)(CC)	C(CC[5a])(CC)	179.6080	0.000	1	179.6080	0.000	1	174.8132	25.740	20	174.8418	103.581	341	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	3:2:	2:2:	C-2:C-2:	C[5a]-3:C-2:	C-2:C-2:	C(CC[5a])(CC)	C(C[5a]C[5a]N[5a])(CC)	C(CC)2	C(CC[5a])(CC)	C(C[5a]C[5a]N[5a])(CC)	C(CC)2	178.0405	1.446	4	178.0405	2.091	4	174.8132	25.740	20	174.8418	103.581	341	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	3:2:	2:2:	C-2:C-2:	C[5a]-3:C-2:	C-2:C-2:	C(CC[5a])(CC)	C(C[5a]C[5a]N[5a])(CC)	C(CC[6a])(CC)	C(CC[5a])(CC)	C(C[5a]C[5a]N[5a])(CC)	C(CC[6a])(CC)	178.5935	0.657	2	178.5935	0.432	2	174.8132	25.740	20	174.8418	103.581	341	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	3:2:	2:2:	C-2:C-2:	C[5a]-3:C-2:	C-2:C-2:	C(CC[5a])(CC)	C(C[5a]C[5a]S[5a])(CC)	C(CC[5])(CC)	C(CC[5a])(CC)	C(C[5a]C[5a]S[5a])(CC)	C(CC[5])(CC)	169.8600	0.000	1	169.8600	0.000	1	174.8132	25.740	20	174.8418	103.581	341	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	3:2:	2:2:	C-2:C-2:	C[5a]-3:C-2:	C-2:C-2:	C(CC[5a])(CC)	C(C[5a]C[5a]S[5a])(CC)	C(CC[5a])(CC)	C(CC[5a])(CC)	C(C[5a]C[5a]S[5a])(CC)	C(CC[5a])(CC)	170.7799	5.165	8	170.7799	26.680	8	174.8132	25.740	20	174.8418	103.581	341	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	3:2:	2:2:	C-2:C-2:	C[5a]-3:C-2:	C-2:C-2:	C(CC[5a])(CC)	C(C[5a]N[5a]2)(CC)	C(CC[5a])(CC)	C(CC[5a])(CC)	C(C[5a]N[5a]2)(CC)	C(CC[5a])(CC)	178.4005	0.032	2	178.4005	0.001	2	174.8132	25.740	20	174.8418	103.581	341	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	3:2:	2:2:	C-2:C-2:	C[5a]-3:C-2:	C-2:C-2:	C(CC[5a])(CC)	C(C[5a]N[5a]2)(CC)	C(CC[6a])(CC)	C(CC[5a])(CC)	C(C[5a]N[5a]2)(CC)	C(CC[6a])(CC)	177.2035	3.243	2	177.2035	10.520	2	174.8132	25.740	20	174.8418	103.581	341	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	3:2:	2:2:	C-2:C-2:	C[6]-3:C-2:	C-2:C-2:	C(CC[6])(CC)	C(C[6]C[6]2)(CC)	C(CC[6])(CC)	C(CC[6])(CC)	C(C[6]C[6]2)(CC)	C(CC[6])(CC)	173.4200	0.779	2	173.4200	0.607	2	175.9363	10.070	4	174.8418	103.581	341	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	3:2:	2:2:	C-2:C-2:	C[6]-3:C-2:	C-2:C-2:	C(CC[6])(CC)	C(C[6]N[6]2)(CC)	C(CC)(CH)	C(CC[6])(CC)	C(C[6]N[6]2)(CC)	C(CC)(CH)	179.9150	0.000	1	179.9150	0.000	1	175.9363	10.070	4	174.8418	103.581	341	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	3:2:	2:2:	C-2:C-2:	C[6]-3:C-2:	C-2:C-2:	C(CC[6])(CC)	C(C[6]N[6]2)(CC)	C(CSi)(CC)	C(CC[6])(CC)	C(C[6]N[6]2)(CC)	C(CSi)(CC)	176.9900	0.000	1	176.9900	0.000	1	175.9363	10.070	4	174.8418	103.581	341	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	3:2:	2:2:	C-2:C-2:	C[6a]-3:C-2:	C-2:C-2:	C(CC[6a])(CC)	C(C[6a]C[5a,6a]C[6a])(CC)	C(CC[6a])(CC)	C(CC[6a])(CC)	C(C[6a]C[5a,6a]C[6a])(CC)	C(CC[6a])(CC)	174.5913	3.126	6	174.5913	9.771	6	176.1089	24.523	228	174.8418	103.581	341	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	3:2:	2:2:	C-2:C-2:	C[6a]-3:C-2:	C-2:C-2:	C(CC[6a])(CC)	C(C[6a]C[6a,6a]2)(CC)	C(CC[6a])(CC)	C(CC[6a])(CC)	C(C[6a]C[6a,6a]2)(CC)	C(CC[6a])(CC)	178.9357	0.908	4	178.9357	0.825	4	176.1089	24.523	228	174.8418	103.581	341	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	3:2:	2:2:	C-2:C-2:	C[6a]-3:C-2:	C-2:C-2:	C(CC[6a])(CC)	C(C[6a]C[6a,6a]C[6a])(CC)	C(CC[6a])(CC)	C(CC[6a])(CC)	C(C[6a]C[6a,6a]C[6a])(CC)	C(CC[6a])(CC)	175.8569	2.690	10	175.8569	7.236	10	176.1089	24.523	228	174.8418	103.581	341	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	3:2:	2:2:	C-2:C-2:	C[6a]-3:C-2:	C-2:C-2:	C(CC[6a])(CC)	C(C[6a]C[6a]2)(CC)	C(CAu)(CC)	C(CC[6a])(CC)	C(C[6a]C[6a]2)(CC)	C(CAu)(CC)	178.2190	0.115	2	178.2190	0.013	2	176.1089	24.523	228	174.8418	103.581	341	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	3:2:	2:2:	C-2:C-2:	C[6a]-3:C-2:	C-2:C-2:	C(CC[6a])(CC)	C(C[6a]C[6a]2)(CC)	C(CC)(CH)	C(CC[6a])(CC)	C(C[6a]C[6a]2)(CC)	C(CC)(CH)	178.5483	0.981	6	178.5483	0.963	6	176.1089	24.523	228	174.8418	103.581	341	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	3:2:	2:2:	C-2:C-2:	C[6a]-3:C-2:	C-2:C-2:	C(CC[6a])(CC)	C(C[6a]C[6a]2)(CC)	C(CC)(CN)	C(CC[6a])(CC)	C(C[6a]C[6a]2)(CC)	C(CC)(CN)	178.0750	0.000	1	178.0750	0.000	1	176.1089	24.523	228	174.8418	103.581	341	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	3:2:	2:2:	C-2:C-2:	C[6a]-3:C-2:	C-2:C-2:	C(CC[6a])(CC)	C(C[6a]C[6a]2)(CC)	C(CC)2	C(CC[6a])(CC)	C(C[6a]C[6a]2)(CC)	C(CC)2	178.3559	1.064	19	178.3559	1.133	19	176.1089	24.523	228	174.8418	103.581	341	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	3:2:	2:2:	C-2:C-2:	C[6a]-3:C-2:	C-2:C-2:	C(CC[6a])(CC)	C(C[6a]C[6a]2)(CC)	C(CC[3x6])(CC)	C(CC[6a])(CC)	C(C[6a]C[6a]2)(CC)	C(CC[3x6])(CC)	177.6310	2.344	3	177.6310	5.492	3	176.1089	24.523	228	174.8418	103.581	341	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	3:2:	2:2:	C-2:C-2:	C[6a]-3:C-2:	C-2:C-2:	C(CC[6a])(CC)	C(C[6a]C[6a]2)(CC)	C(CC[4])(CC)	C(CC[6a])(CC)	C(C[6a]C[6a]2)(CC)	C(CC[4])(CC)	176.7845	0.556	4	176.7845	0.309	4	176.1089	24.523	228	174.8418	103.581	341	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	3:2:	2:2:	C-2:C-2:	C[6a]-3:C-2:	C-2:C-2:	C(CC[6a])(CC)	C(C[6a]C[6a]2)(CC)	C(CC[5])(CC)	C(CC[6a])(CC)	C(C[6a]C[6a]2)(CC)	C(CC[5])(CC)	178.0163	0.514	3	178.0163	0.264	3	176.1089	24.523	228	174.8418	103.581	341	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	3:2:	2:2:	C-2:C-2:	C[6a]-3:C-2:	C-2:C-2:	C(CC[6a])(CC)	C(C[6a]C[6a]2)(CC)	C(CC[5a])(CC)	C(CC[6a])(CC)	C(C[6a]C[6a]2)(CC)	C(CC[5a])(CC)	177.3208	1.328	4	177.3208	1.763	4	176.1089	24.523	228	174.8418	103.581	341	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	3:2:	2:2:	C-2:C-2:	C[6a]-3:C-2:	C-2:C-2:	C(CC[6a])(CC)	C(C[6a]C[6a]2)(CC)	C(CC[6])(CC)	C(CC[6a])(CC)	C(C[6a]C[6a]2)(CC)	C(CC[6])(CC)	176.5610	0.000	1	176.5610	0.000	1	176.1089	24.523	228	174.8418	103.581	341	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	3:2:	2:2:	C-2:C-2:	C[6a]-3:C-2:	C-2:C-2:	C(CC[6a])(CC)	C(C[6a]C[6a]2)(CC)	C(CC[6a])(CC)	C(CC[6a])(CC)	C(C[6a]C[6a]2)(CC)	C(CC[6a])(CC)	175.3897	5.858	148	175.3897	34.317	148	176.1089	24.523	228	174.8418	103.581	341	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	3:2:	2:2:	C-2:C-2:	C[6a]-3:C-2:	C-2:C-2:	C(CC[6a])(CC)	C(C[6a]C[6a]2)(CC)	C(CFe)(CC)	C(CC[6a])(CC)	C(C[6a]C[6a]2)(CC)	C(CFe)(CC)	178.5950	0.000	1	178.5950	0.000	1	176.1089	24.523	228	174.8418	103.581	341	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	3:2:	2:2:	C-2:C-2:	C[6a]-3:C-2:	C-2:C-2:	C(CC[6a])(CC)	C(C[6a]C[6a]2)(CC)	C(CPd)(CC)	C(CC[6a])(CC)	C(C[6a]C[6a]2)(CC)	C(CPd)(CC)	177.0950	0.420	3	177.0950	0.176	3	176.1089	24.523	228	174.8418	103.581	341	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	3:2:	2:2:	C-2:C-2:	C[6a]-3:C-2:	C-2:C-2:	C(CC[6a])(CC)	C(C[6a]C[6a]2)(CC)	C(CPt)(CC)	C(CC[6a])(CC)	C(C[6a]C[6a]2)(CC)	C(CPt)(CC)	177.3680	0.000	1	177.3680	0.000	1	176.1089	24.523	228	174.8418	103.581	341	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	3:2:	2:2:	C-2:C-2:	C[6a]-3:C-2:	C-2:C-2:	C(CC[6a])(CC)	C(C[6a]C[6a]2)(CC)	C(CRu)(CC)	C(CC[6a])(CC)	C(C[6a]C[6a]2)(CC)	C(CRu)(CC)	177.6570	0.984	5	177.6570	0.968	5	176.1089	24.523	228	174.8418	103.581	341	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	3:2:	2:2:	C-2:C-2:	C[6a]-3:C-2:	C-2:C-2:	C(CC[6a])(CC)	C(C[6a]C[6a]2)(CC)	C(CSi)(CC)	C(CC[6a])(CC)	C(C[6a]C[6a]2)(CC)	C(CSi)(CC)	176.6570	2.359	4	176.6570	5.565	4	176.1089	24.523	228	174.8418	103.581	341	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	3:2:	2:2:	C-2:C-2:	C[6a]-3:C-2:	C-2:C-2:	C(CC[6a])(CC)	C(C[6a]C[6a]N[6a])(CC)	C(CC)(CH)	C(CC[6a])(CC)	C(C[6a]C[6a]N[6a])(CC)	C(CC)(CH)	178.7820	1.237	2	178.7820	1.531	2	176.1089	24.523	228	174.8418	103.581	341	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	3:2:	2:2:	C-2:C-2:	C[6a]-3:C-2:	C-2:C-2:	C(CC[6a])(CC)	C(C[6a]C[6a]N[6a])(CC)	C(CC)2	C(CC[6a])(CC)	C(C[6a]C[6a]N[6a])(CC)	C(CC)2	179.0910	0.000	1	179.0910	0.000	1	176.1089	24.523	228	174.8418	103.581	341	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	3:2:	2:2:	C-2:C-2:	N-3:C-2:	C-2:C-2:	C(CC)(CN)	C(NCC)(CC)	C(CC)2	C(CC)(CN)	C(NCC)(CC)	C(CC)2	142.9835	48.423	2	142.9835	2344.824	2	152.1318	1106.075	13	174.8418	103.581	341	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	3:2:	2:2:	C-2:C-2:	N-3:C-2:	C-2:C-2:	C(CC)(CN)	C(NC[6a]2)(CC)	C(CC)2	C(CC)(CN)	C(NC[6a]2)(CC)	C(CC)2	177.3901	1.381	7	177.3901	1.908	7	152.1318	1106.075	13	174.8418	103.581	341	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	3:2:	2:2:	C-2:C-2:	N-3:C-2:	C-2:C-2:	C(CC)(CN)	C(NPdC)(CC)	C(CC)2	C(CC)(CN)	C(NPdC)(CC)	C(CC)2	112.5040	0.798	4	112.5040	0.636	4	152.1318	1106.075	13	174.8418	103.581	341	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	3:2:	2:2:	C-2:C-2:	N[5]-3:C-2:	C-2:C-2:	C(CN[5])(CC)	C(N[5]C[5]2)(CC)	C(CC)2	C(CN[5])(CC)	C(N[5]C[5]2)(CC)	C(CC)2	176.1410	0.000	1	176.1410	0.000	1	176.1410	0.000	1	174.8418	103.581	341	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	3:2:	3:2:	C-2:C-2:	C[6]-3:C-2:	C-3:C-2:	C(CC[6])(CC)	C(C[6]C[6]2)(CC)	C(CCC)(CC)	C(CC[6])(CC)	C(C[6]C[6]2)(CC)	C(CCC)(CC)	176.3120	0.000	1	176.3120	0.000	1	176.3120	0.000	1	145.1900	1937.158	2	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	3:2:	3:2:	C-2:C-2:	S-3:C-2:	S-3:C-2:	C(CS)2	C(SFe2)(CC)	C(SFe2)(CC)	C(CS)2	C(SFe2)(CC)	C(SFe2)(CC)	114.0680	0.000	1	114.0680	0.000	1	114.0680	0.000	1	145.1900	1937.158	2	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	3:2:	4:2:	C-2:C-2:	C-3:C-2:	C-4:C-2:	C(CC)2	C(CAg2)(CC)	C(CC3)(CC)	C(CC)2	C(CAg2)(CC)	C(CC3)(CC)	177.5102	1.025	4	177.5102	1.050	4	177.5102	1.050	4	177.5102	1.050	4	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	4:2:	2:1:	C-2:C-2:	N-4:C-2:	C-2:C-1:	C(CC)(CN)	C(NC3)(CC)	C(CC)(C)	C(CC)(CN)	C(NC3)(CC)	C(CC)(C)	109.4755	5.732	36	109.4755	32.856	36	109.8045	35.947	37	109.9930	32.100	43	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	4:2:	2:1:	C-2:C-2:	N-4:C-2:	C-2:C-1:	C(CC)(CN)	C(NH3)(CC)	C(CC)(C)	C(CC)(CN)	C(NH3)(CC)	C(CC)(C)	121.6460	0.000	1	121.6460	0.000	1	109.8045	35.947	37	109.9930	32.100	43	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	4:2:	2:1:	C-2:C-2:	P-4:C-2:	C-2:C-1:	C(CC)(CP)	C(PCoCC)(CC)	C(CC)(C)	C(CC)(CP)	C(PCoCC)(CC)	C(CC)(C)	113.7773	0.783	3	113.7773	0.612	3	111.1557	8.939	6	109.9930	32.100	43	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	4:2:	2:1:	C-2:C-2:	P-4:C-2:	C-2:C-1:	C(CC)(CP)	C(PNiCC)(CC)	C(CC)(C)	C(CC)(CP)	C(PNiCC)(CC)	C(CC)(C)	108.5340	1.056	3	108.5340	1.116	3	111.1557	8.939	6	109.9930	32.100	43	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	4:2:	2:2:	C-2:C-2:	B[3x6]-4:C-2:	C-2:C-2:	C(CB[3x6])(CC)	C(B[3x6]N[5a,6,6]3)(CC)	C(CC[5])(CC)	C(CB[3x6])(CC)	C(B[3x6]N[5a,6,6]3)(CC)	C(CC[5])(CC)	177.2380	0.000	1	177.2380	0.000	1	177.2380	0.000	1	176.1515	95.062	225	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	4:2:	2:2:	C-2:C-2:	C-4:C-2:	C-2:C-2:	C(CC)2	C(CC3)(CC)	C(CC)2	C(CC)2	C(CC3)(CC)	C(CC)2	178.5230	0.075	2	178.5230	0.006	2	175.2712	142.873	147	176.1515	95.062	225	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	4:2:	2:2:	C-2:C-2:	C-4:C-2:	C-2:C-2:	C(CC)2	C(CCCF)(CC)	C(CC)2	C(CC)2	C(CCCF)(CC)	C(CC)2	113.0330	0.376	2	113.0330	0.142	2	175.2712	142.873	147	176.1515	95.062	225	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	4:2:	2:2:	C-2:C-2:	C-4:C-2:	C-2:C-2:	C(CC)2	C(CCCO)(CC)	C(CC)2	C(CC)2	C(CCCO)(CC)	C(CC)2	177.0400	0.027	2	177.0400	0.001	2	175.2712	142.873	147	176.1515	95.062	225	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	4:2:	2:2:	C-2:C-2:	C-4:C-2:	C-2:C-2:	C(CC)2	C(CCHH)(CC)	C(CC)2	C(CC)2	C(CCHH)(CC)	C(CC)2	171.9790	20.114	11	171.9790	404.553	11	175.2712	142.873	147	176.1515	95.062	225	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	4:2:	2:2:	C-2:C-2:	C-4:C-2:	C-2:C-2:	C(CC)2	C(CCHO)(CC)	C(CC)2	C(CC)2	C(CCHO)(CC)	C(CC)2	177.8087	0.342	17	177.8087	0.117	17	175.2712	142.873	147	176.1515	95.062	225	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	4:2:	2:2:	C-2:C-2:	C-4:C-2:	C-2:C-2:	C(CC)2	C(CC[3]HO)(CC)	C(CC)2	C(CC)2	C(CC[3]HO)(CC)	C(CC)2	179.5060	0.000	1	179.5060	0.000	1	175.2712	142.873	147	176.1515	95.062	225	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	4:2:	2:2:	C-2:C-2:	C-4:C-2:	C-2:C-2:	C(CC)2	C(CC[6a]2O)(CC)	C(CC)2	C(CC)2	C(CC[6a]2O)(CC)	C(CC)2	179.2781	0.580	30	179.2781	0.336	30	175.2712	142.873	147	176.1515	95.062	225	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	4:2:	2:2:	C-2:C-2:	C-4:C-2:	C-2:C-2:	C(CC)2	C(CC[6a]3)(CC)	C(CC)2	C(CC)2	C(CC[6a]3)(CC)	C(CC)2	179.2900	0.681	5	179.2900	0.464	5	175.2712	142.873	147	176.1515	95.062	225	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	4:2:	2:2:	C-2:C-2:	C-4:C-2:	C-2:C-2:	C(CC)2	C(CC[6a]CH)(CC)	C(CC[5])(CC)	C(CC)2	C(CC[6a]CH)(CC)	C(CC[5])(CC)	177.1980	0.000	1	177.1980	0.000	1	175.2712	142.873	147	176.1515	95.062	225	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	4:2:	2:2:	C-2:C-2:	C-4:C-2:	C-2:C-2:	C(CC)2	C(CC[6a]CO)(CC)	C(CC[6a])(CC)	C(CC)2	C(CC[6a]CO)(CC)	C(CC[6a])(CC)	176.4920	0.000	1	176.4920	0.000	1	175.2712	142.873	147	176.1515	95.062	225	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	4:2:	2:2:	C-2:C-2:	C-4:C-2:	C-2:C-2:	C(CC)2	C(CC[6a]HN)(CC)	C(CC[6a])(CC)	C(CC)2	C(CC[6a]HN)(CC)	C(CC[6a])(CC)	177.6020	0.000	1	177.6020	0.000	1	175.2712	142.873	147	176.1515	95.062	225	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	4:2:	2:2:	C-2:C-2:	C-4:C-2:	C-2:C-2:	C(CC)2	C(CCo2C)(CC)	C(CSi)(CC)	C(CC)2	C(CCo2C)(CC)	C(CSi)(CC)	175.5830	0.000	1	175.5830	0.000	1	175.2712	142.873	147	176.1515	95.062	225	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	4:2:	2:2:	C-2:C-2:	C-4:C-2:	C-2:C-2:	C(CC)2	C(CH3)(CC)	C(CC)2	C(CC)2	C(CH3)(CC)	C(CC)2	172.2212	12.858	4	172.2212	165.329	4	175.2712	142.873	147	176.1515	95.062	225	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	4:2:	2:2:	C-2:C-2:	C-4:C-2:	C-2:C-2:	C(CC)2	C(CHHN)(CC)	C(CBr)(CC)	C(CC)2	C(CHHN)(CC)	C(CBr)(CC)	178.4110	0.000	1	178.4110	0.000	1	175.2712	142.873	147	176.1515	95.062	225	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	4:2:	2:2:	C-2:C-2:	C-4:C-2:	C-2:C-2:	C(CC)2	C(CHHN)(CC)	C(CC)(CH)	C(CC)2	C(CHHN)(CC)	C(CC)(CH)	177.7600	0.000	1	177.7600	0.000	1	175.2712	142.873	147	176.1515	95.062	225	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	4:2:	2:2:	C-2:C-2:	C-4:C-2:	C-2:C-2:	C(CC)2	C(CHHN)(CC)	C(CC)(CI)	C(CC)2	C(CHHN)(CC)	C(CC)(CI)	179.3680	0.000	1	179.3680	0.000	1	175.2712	142.873	147	176.1515	95.062	225	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	4:2:	2:2:	C-2:C-2:	C-4:C-2:	C-2:C-2:	C(CC)2	C(CHHN)(CC)	C(CC)(CN)	C(CC)2	C(CHHN)(CC)	C(CC)(CN)	178.0725	0.243	2	178.0725	0.059	2	175.2712	142.873	147	176.1515	95.062	225	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	4:2:	2:2:	C-2:C-2:	C-4:C-2:	C-2:C-2:	C(CC)2	C(CHHN)(CC)	C(CCl)(CC)	C(CC)2	C(CHHN)(CC)	C(CCl)(CC)	178.2290	0.000	1	178.2290	0.000	1	175.2712	142.873	147	176.1515	95.062	225	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	4:2:	2:2:	C-2:C-2:	C-4:C-2:	C-2:C-2:	C(CC)2	C(CHHO)(CC)	C(CC)(CN)	C(CC)2	C(CHHO)(CC)	C(CC)(CN)	178.5980	1.168	5	178.5980	1.364	5	175.2712	142.873	147	176.1515	95.062	225	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	4:2:	2:2:	C-2:C-2:	C-4:C-2:	C-2:C-2:	C(CC)2	C(CHHO)(CC)	C(CC)2	C(CC)2	C(CHHO)(CC)	C(CC)2	174.9930	10.397	49	174.9930	108.100	49	175.2712	142.873	147	176.1515	95.062	225	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	4:2:	2:2:	C-2:C-2:	C-4:C-2:	C-2:C-2:	C(CC)2	C(CHHS)(CC)	C(CC)2	C(CC)2	C(CHHS)(CC)	C(CC)2	141.1905	0.629	2	141.1905	0.395	2	175.2712	142.873	147	176.1515	95.062	225	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	4:2:	2:2:	C-2:C-2:	C-4:C-2:	C-2:C-2:	C(CC)2	C(CN[5a]HH)(CC)	C(CC)2	C(CC)2	C(CN[5a]HH)(CC)	C(CC)2	177.4600	0.359	5	177.4600	0.129	5	175.2712	142.873	147	176.1515	95.062	225	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	4:2:	2:2:	C-2:C-2:	C-4:C-2:	C-2:C-2:	C(CC)2	C(CN[6]HH)(CC)	C(CC)2	C(CC)2	C(CN[6]HH)(CC)	C(CC)2	177.9310	0.093	2	177.9310	0.009	2	175.2712	142.873	147	176.1515	95.062	225	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	4:2:	2:2:	C-2:C-2:	C[3]-4:C-2:	C-2:C-2:	C(CC[3])(CC)	C(C[3]C[3]2C)(CC)	C(CC)(CH)	C(CC[3])(CC)	C(C[3]C[3]2C)(CC)	C(CC)(CH)	178.9570	0.000	1	178.9570	0.000	1	178.9570	0.000	1	176.1515	95.062	225	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	4:2:	2:2:	C-2:C-2:	C[3x6]-4:C-2:	C-2:C-2:	C(CC[3x6])(CC)	C(C[3x6]C[6,6,6a]3)(CC)	C(CC)(CH)	C(CC[3x6])(CC)	C(C[3x6]C[6,6,6a]3)(CC)	C(CC)(CH)	177.9603	0.649	4	177.9603	0.422	4	177.9985	2.124	8	176.1515	95.062	225	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	4:2:	2:2:	C-2:C-2:	C[3x6]-4:C-2:	C-2:C-2:	C(CC[3x6])(CC)	C(C[3x6]C[6,6,6a]3)(CC)	C(CC[6a])(CC)	C(CC[3x6])(CC)	C(C[3x6]C[6,6,6a]3)(CC)	C(CC[6a])(CC)	177.6637	2.442	3	177.6637	5.962	3	177.9985	2.124	8	176.1515	95.062	225	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	4:2:	2:2:	C-2:C-2:	C[3x6]-4:C-2:	C-2:C-2:	C(CC[3x6])(CC)	C(C[3x6]C[6,6]3)(CC)	C(CC[3x6])(CC)	C(CC[3x6])(CC)	C(C[3x6]C[6,6]3)(CC)	C(CC[3x6])(CC)	179.1560	0.000	1	179.1560	0.000	1	177.9985	2.124	8	176.1515	95.062	225	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	4:2:	2:2:	C-2:C-2:	C[4]-4:C-2:	C-2:C-2:	C(CC[4])(CC)	C(C[4]C[4]2Co)(CC)	C(CC[6a])(CC)	C(CC[4])(CC)	C(C[4]C[4]2Co)(CC)	C(CC[6a])(CC)	176.8410	0.697	4	176.8410	0.485	4	176.8410	0.485	4	176.1515	95.062	225	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	4:2:	2:2:	C-2:C-2:	C[5]-4:C-2:	C-2:C-2:	C(CC[5])(CC)	C(C[5]C[5,6]C[5]O)(CC)	C(CC[5])(CC)	C(CC[5])(CC)	C(C[5]C[5,6]C[5]O)(CC)	C(CC[5])(CC)	179.1210	0.810	2	179.1210	0.657	2	177.7984	0.876	38	176.1515	95.062	225	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	4:2:	2:2:	C-2:C-2:	C[5]-4:C-2:	C-2:C-2:	C(CC[5])(CC)	C(C[5]C[5]2Fe)(CC)	C(CB[3x6])(CC)	C(CC[5])(CC)	C(C[5]C[5]2Fe)(CC)	C(CB[3x6])(CC)	177.0460	0.000	1	177.0460	0.000	1	177.7984	0.876	38	176.1515	95.062	225	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	4:2:	2:2:	C-2:C-2:	C[5]-4:C-2:	C-2:C-2:	C(CC[5])(CC)	C(C[5]C[5]2Fe)(CC)	C(CC)(CH)	C(CC[5])(CC)	C(C[5]C[5]2Fe)(CC)	C(CC)(CH)	179.5620	0.000	1	179.5620	0.000	1	177.7984	0.876	38	176.1515	95.062	225	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	4:2:	2:2:	C-2:C-2:	C[5]-4:C-2:	C-2:C-2:	C(CC[5])(CC)	C(C[5]C[5]2Fe)(CC)	C(CC)2	C(CC[5])(CC)	C(C[5]C[5]2Fe)(CC)	C(CC)2	178.9220	0.000	1	178.9220	0.000	1	177.7984	0.876	38	176.1515	95.062	225	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	4:2:	2:2:	C-2:C-2:	C[5]-4:C-2:	C-2:C-2:	C(CC[5])(CC)	C(C[5]C[5]2Fe)(CC)	C(CC[5])(CC)	C(CC[5])(CC)	C(C[5]C[5]2Fe)(CC)	C(CC[5])(CC)	178.1130	1.809	4	178.1130	3.271	4	177.7984	0.876	38	176.1515	95.062	225	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	4:2:	2:2:	C-2:C-2:	C[5]-4:C-2:	C-2:C-2:	C(CC[5])(CC)	C(C[5]C[5]2Fe)(CC)	C(CC[6a])(CC)	C(CC[5])(CC)	C(C[5]C[5]2Fe)(CC)	C(CC[6a])(CC)	177.6545	0.279	2	177.6545	0.078	2	177.7984	0.876	38	176.1515	95.062	225	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	4:2:	2:2:	C-2:C-2:	C[5]-4:C-2:	C-2:C-2:	C(CC[5])(CC)	C(C[5]C[5]2O)(CC)	C(CC[5])(CC)	C(CC[5])(CC)	C(C[5]C[5]2O)(CC)	C(CC[5])(CC)	177.5854	0.673	27	177.5854	0.453	27	177.7984	0.876	38	176.1515	95.062	225	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	4:2:	2:2:	C-2:C-2:	C[6]-4:C-2:	C-2:C-2:	C(CC[6])(CC)	C(C[6]C[5,6]C[6]H)(CC)	C(CC[6a])(CC)	C(CC[6])(CC)	C(C[6]C[5,6]C[6]H)(CC)	C(CC[6a])(CC)	177.7880	0.000	1	177.7880	0.000	1	177.7880	0.000	1	176.1515	95.062	225	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	4:2:	2:2:	C-2:C-2:	P-4:C-2:	C-2:C-2:	C(CC)(CP)	C(PC[6a]2Pt)(CC)	C(CC)(CP)	C(CC)(CP)	C(PC[6a]2Pt)(CC)	C(CC)(CP)	175.4967	0.242	4	175.4967	0.059	4	175.4967	0.059	4	176.1515	95.062	225	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	4:2:	2:2:	C-2:C-2:	Si-4:C-2:	C-2:C-2:	C(CSi)(CC)	C(SiC3)(CC)	C(CC)2	C(CSi)(CC)	C(SiC3)(CC)	C(CC)2	177.4207	1.859	4	177.4207	3.456	4	178.3595	1.172	21	176.1515	95.062	225	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	4:2:	2:2:	C-2:C-2:	Si-4:C-2:	C-2:C-2:	C(CSi)(CC)	C(SiC3)(CC)	C(CCr)(CC)	C(CSi)(CC)	C(SiC3)(CC)	C(CCr)(CC)	178.8720	0.000	1	178.8720	0.000	1	178.3595	1.172	21	176.1515	95.062	225	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	4:2:	2:2:	C-2:C-2:	Si-4:C-2:	C-2:C-2:	C(CSi)(CC)	C(SiC3)(CC)	C(CPt)(CC)	C(CSi)(CC)	C(SiC3)(CC)	C(CPt)(CC)	177.3260	0.018	2	177.3260	0.000	2	178.3595	1.172	21	176.1515	95.062	225	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	4:2:	2:2:	C-2:C-2:	Si-4:C-2:	C-2:C-2:	C(CSi)(CC)	C(SiC3)(CC)	C(CRu)(CC)	C(CSi)(CC)	C(SiC3)(CC)	C(CRu)(CC)	178.5132	0.538	9	178.5132	0.290	9	178.3595	1.172	21	176.1515	95.062	225	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	4:2:	2:2:	C-2:C-2:	Si-4:C-2:	C-2:C-2:	C(CSi)(CC)	C(SiC3)(CC)	C(CSi)(CC)	C(CSi)(CC)	C(SiC3)(CC)	C(CSi)(CC)	179.5155	0.161	2	179.5155	0.026	2	178.3595	1.172	21	176.1515	95.062	225	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	4:2:	2:2:	C-2:C-2:	Si-4:C-2:	C-2:C-2:	C(CSi)(CC)	C(SiC[6a]2C)(CC)	C(CC[6a])(CC)	C(CSi)(CC)	C(SiC[6a]2C)(CC)	C(CC[6a])(CC)	179.2880	0.000	1	179.2880	0.000	1	178.3595	1.172	21	176.1515	95.062	225	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	4:2:	2:2:	C-2:C-2:	Si-4:C-2:	C-2:C-2:	C(CSi)(CC)	C(SiC[6a]3)(CC)	C(CC)2	C(CSi)(CC)	C(SiC[6a]3)(CC)	C(CC)2	178.7025	0.910	2	178.7025	0.828	2	178.3595	1.172	21	176.1515	95.062	225	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	4:2:	4:2:	C-2:C-2:	C-4:C-2:	C-4:C-2:	C(CC)2	C(CH3)(CC)	C(CH3)(CC)	C(CC)2	C(CH3)(CC)	C(CH3)(CC)	180.0000	0.000	1	180.0000	0.000	1	180.0000	0.000	1	128.1395	1198.154	4	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	4:2:	4:2:	C-2:C-2:	C[5]-4:C-2:	C[5]-4:C-2:	C(CC[5])2	C(C[5]C[5]2Fe)(CC)	C(C[5]C[5]2Fe)(CC)	C(CC[5])2	C(C[5]C[5]2Fe)(CC)	C(C[5]C[5]2Fe)(CC)	110.1180	0.000	1	110.1180	0.000	1	110.1180	0.000	1	128.1395	1198.154	4	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	4:2:	4:2:	C-2:C-2:	P-4:C-2:	P-4:C-2:	C(CP)2	C(PC[6]2Pt)(CC)	C(PC[6]2Pt)(CC)	C(CP)2	C(PC[6]2Pt)(CC)	C(PC[6]2Pt)(CC)	111.2200	2.763	2	111.2200	7.636	2	111.2200	7.636	2	128.1395	1198.154	4	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	5:2:	2:1:	C-2:C-2:	Si-5:C-2:	C-2:C-1:	C(CSi)(CC)	C(SiC[5]2ZrC)(CC)	C(CC)(C)	C(CSi)(CC)	C(SiC[5]2ZrC)(CC)	C(CC)(C)	111.6690	0.826	2	111.6690	0.682	2	111.6690	0.682	2	111.6690	0.682	2	163.1964	721.309	868	163.1964	721.309	868
983	983	983	0:SP1_SP1_SP1	C	C	C	2:2:	5:2:	2:2:	C-2:C-2:	Si-5:C-2:	C-2:C-2:	C(CSi)(CC)	C(SiC[5]2FeC)(CC)	C(CC[6a])(CC)	C(CSi)(CC)	C(SiC[5]2FeC)(CC)	C(CC[6a])(CC)	178.3000	0.373	2	178.3000	0.139	2	178.3000	0.139	2	178.3000	0.139	2	163.1964	721.309	868	163.1964	721.309	868
983	983	984	0:SP1_SP-NON_SP1	C	C	Ga	4:2:	3:2:	3:4:4:2:	Ga-4:C-2:	C[6a]-3:C-2:	N[6]-3:C-4:C-4:C-2:	C(GaN[6]CC)(CC[6a])	C(C[6a]C[6a]2)(CGa)	Ga(N[6]C[6]2)(CCHH)2(CC)	C(GaN[6]CC)(CC[6a])	C(C[6a]C[6a]2)(CGa)	Ga(N[6]C[6]2)(CCHH)2(CC)	172.5990	0.000	1	172.5990	0.000	1	172.5990	0.000	1	172.5990	0.000	1	172.5990	0.000	1	172.5990	0.000	1
983	983	991	0:SP1_SP-NON_SP1	C	C	Br	2:2:	4:2:	3:2:	Br-2:C-2:	C-4:C-2:	C[6a]-3:C-2:	C(BrC[6a])(CC)	C(CC3)(CBr)	Br(C[6a]C[6a]2)(CC)	C(BrC[6a])(CC)	C(CC3)(CBr)	Br(C[6a]C[6a]2)(CC)	167.2600	0.000	1	167.2600	0.000	1	167.2600	0.000	1	167.2600	0.000	1	167.2600	0.000	1	167.2600	0.000	1
983	983	992	0:SP1_SP1_SP3	C	C	P	2:4:	3:2:	4:2:2:1:	C-2:P-4:	C[6a]-3:C-2:	C-4:O-2:C-2:O-1:	C(CC[6a])(PCOO)	C(C[6a]C[6a]2)(CP)	P(CC[6a]HH)(OC[6])(CC)(O)	C(CC[6a])(PCOO)	C(C[6a]C[6a]2)(CP)	P(CC[6a]HH)(OC[6])(CC)(O)	176.5980	0.000	1	176.5980	0.000	1	176.5980	0.000	1	176.5980	0.000	1	170.4123	104.087	35	170.4123	104.087	35
983	983	992	0:SP1_SP1_SP3	C	C	P	2:4:	3:2:	4:4:2:2:	C-2:P-4:	C[6a]-3:C-2:	C-4:C-4:C-2:N-2:	C(CC[6a])(PCCN)	C(C[6a]C[6a]2)(CP)	P(CC3)2(CC)(NP)	C(CC[6a])(PCCN)	C(C[6a]C[6a]2)(CP)	P(CC3)2(CC)(NP)	174.1220	0.000	1	174.1220	0.000	1	174.1220	0.000	1	174.1220	0.000	1	170.4123	104.087	35	170.4123	104.087	35
983	983	992	0:SP1_SP1_SP3	C	C	P	2:4:	4:2:	4:4:2:2:	C-2:P-4:	C[6]-4:C-2:	C-4:C-4:C-2:N-2:	C(CC[6])(PCCN)	C(C[6]C[6]2H)(CP)	P(CC3)2(CC)(NP)	C(CC[6])(PCCN)	C(C[6]C[6]2H)(CP)	P(CC3)2(CC)(NP)	177.1870	0.000	1	177.1870	0.000	1	177.1870	0.000	1	177.1870	0.000	1	170.4123	104.087	35	170.4123	104.087	35
983	983	992	0:SP1_SP1_SP3	C	C	P	4:2:	2:1:	2:2:2:1:	P-4:C-2:	C-2:H-1:	C-2:C-2:C-2:O-1:	C(PCCO)(CH)	C(CP)(H)	P(CC)3(O)	C(PCCO)(CH)	C(CP)(H)	P(CC)3(O)	176.8920	1.906	2	176.8920	3.634	2	176.8920	3.634	2	176.8920	3.634	2	170.4123	104.087	35	170.4123	104.087	35
983	983	992	0:SP1_SP1_SP3	C	C	P	4:2:	2:1:	3:3:2:1:	P-4:C-2:	C-2:H-1:	C[5a]-3:C[6a]-3:C-2:O-1:	C(PC[5a]C[6a]O)(CH)	C(CP)(H)	P(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CC)(O)	C(PC[5a]C[6a]O)(CH)	C(CP)(H)	P(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CC)(O)	175.6130	0.000	1	175.6130	0.000	1	175.6130	0.000	1	175.3860	0.103	2	170.4123	104.087	35	170.4123	104.087	35
983	983	992	0:SP1_SP1_SP3	C	C	P	4:2:	2:1:	3:3:2:1:	P-4:C-2:	C-2:H-1:	C[6a]-3:C[6a]-3:C-2:O-1:	C(PC[6a]2O)(CH)	C(CP)(H)	P(C[6a]C[6a]2)2(CC)(O)	C(PC[6a]2O)(CH)	C(CP)(H)	P(C[6a]C[6a]2)2(CC)(O)	175.1590	0.000	1	175.1590	0.000	1	175.1590	0.000	1	175.3860	0.103	2	170.4123	104.087	35	170.4123	104.087	35
983	983	992	0:SP1_SP1_SP3	C	C	P	4:2:	2:1:	3:3:3:2:	P-4:C-2:	C-2:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-2:	C(PC[6a]3)(CO)	C(CP)(O)	P(C[6a]C[6a]2)3(CC)	C(PC[6a]3)(CO)	C(CP)(O)	P(C[6a]C[6a]2)3(CC)	143.0830	0.062	2	143.0830	0.004	2	143.0830	0.004	2	143.0830	0.004	2	170.4123	104.087	35	170.4123	104.087	35
983	983	992	0:SP1_SP1_SP3	C	C	P	4:2:	2:1:	4:4:4:2:	P-4:C-2:	C-2:O-1:	C[6]-4:C[6]-4:C[6]-4:C-2:	C(PC[6]3)(CO)	C(CP)(O)	P(C[6]C[6]2H)3(CC)	C(PC[6]3)(CO)	C(CP)(O)	P(C[6]C[6]2H)3(CC)	144.1325	5.733	2	144.1325	32.862	2	144.1325	32.862	2	144.1325	32.862	2	170.4123	104.087	35	170.4123	104.087	35
983	983	992	0:SP1_SP1_SP3	C	C	P	4:2:	2:1:	5:2:2:2:	P-4:C-2:	C-2:H-1:	B[3,3,5,3x6]-5:C-2:C-2:C-2:	C(PB[3,3,5,3x6]CC)(CH)	C(CP)(H)	P(B[3,3,5,3x6]B[4x3,5,5,4x6]2B[5x3,5,5,6]H)(CC)3	C(PB[3,3,5,3x6]CC)(CH)	C(CP)(H)	P(B[3,3,5,3x6]B[4x3,5,5,4x6]2B[5x3,5,5,6]H)(CC)3	176.7113	1.674	3	176.7113	2.804	3	176.7113	2.804	3	176.7113	2.804	3	170.4123	104.087	35	170.4123	104.087	35
983	983	992	0:SP1_SP1_SP3	C	C	P	4:2:	2:2:	3:3:4:2:	P-4:C-2:	C-2:C-2:	C[6a]-3:C[6a]-3:B-4:C-2:	C(PC[6a]2B)(CC)	C(CP)(CW)	P(C[6a]C[6a]2)2(BH3)(CC)	C(PC[6a]2B)(CC)	C(CP)(CW)	P(C[6a]C[6a]2)2(BH3)(CC)	169.3030	0.000	1	169.3030	0.000	1	169.3030	0.000	1	169.3030	0.000	1	170.4123	104.087	35	170.4123	104.087	35
983	983	992	0:SP1_SP1_SP3	C	C	P	4:2:	2:2:	4:4:4:2:	P-4:C-2:	C-2:O-2:	C[6]-4:C[6]-4:C[6]-4:C-2:	C(PC[6]3)(CO)	C(CP)(OB)	P(C[6]C[6]2H)3(CC)	C(PC[6]3)(CO)	C(CP)(OB)	P(C[6]C[6]2H)3(CC)	172.8800	0.000	1	172.8800	0.000	1	172.8800	0.000	1	173.3990	0.539	2	170.4123	104.087	35	170.4123	104.087	35
983	983	992	0:SP1_SP1_SP3	C	C	P	4:2:	2:2:	4:4:4:2:	P-4:C-2:	O-2:C-2:	C[6]-4:C[6]-4:C[6]-4:C-2:	C(PC[6]3)(CO)	C(OAl)(CP)	P(C[6]C[6]2H)3(CC)	C(PC[6]3)(CO)	C(OAl)(CP)	P(C[6]C[6]2H)3(CC)	173.9180	0.000	1	173.9180	0.000	1	173.9180	0.000	1	173.3990	0.539	2	170.4123	104.087	35	170.4123	104.087	35
983	983	992	0:SP1_SP1_SP3	C	C	P	4:2:	3:2:	2:2:2:1:	P-4:C-2:	C-3:C-2:	C-2:O-2:O-2:O-1:	C(PO3)(CC)	C(CCH)(CP)	P(CC)(OC)2(O)	C(PO3)(CC)	C(CCH)(CP)	P(CC)(OC)2(O)	172.7280	0.000	1	172.7280	0.000	1	172.7280	0.000	1	172.7280	0.000	1	170.4123	104.087	35	170.4123	104.087	35
983	983	992	0:SP1_SP1_SP3	C	C	P	4:2:	3:2:	3:2:2:1:	P-4:C-2:	C[6a]-3:C-2:	C[6a]-3:C-2:C-2:O-1:	C(PC[6a]CO)(CC[6a])	C(C[6a]C[6a]2)(CP)	P(C[6a]C[6a]2)(CC)2(O)	C(PC[6a]CO)(CC[6a])	C(C[6a]C[6a]2)(CP)	P(C[6a]C[6a]2)(CC)2(O)	171.7595	2.589	4	171.7595	6.704	4	171.7595	6.704	4	171.7595	6.704	4	170.4123	104.087	35	170.4123	104.087	35
983	983	992	0:SP1_SP1_SP3	C	C	P	4:2:	3:2:	3:3:2:1:	P-4:C-2:	C[6a]-3:C-2:	C[6a]-3:C-3:C-2:O-1:	C(PC[6a]CO)(CC[6a])	C(C[6a]C[6a]2)(CP)	P(C[6a]C[6a]2)(CCH)(CC)(O)	C(PC[6a]CO)(CC[6a])	C(C[6a]C[6a]2)(CP)	P(C[6a]C[6a]2)(CCH)(CC)(O)	176.0225	0.452	2	176.0225	0.204	2	176.0225	0.204	2	174.3112	6.487	6	170.4123	104.087	35	170.4123	104.087	35
983	983	992	0:SP1_SP1_SP3	C	C	P	4:2:	3:2:	3:3:2:1:	P-4:C-2:	C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:O-1:	C(PC[6a]2O)(CC[6a])	C(C[6a]C[6a]2)(CP)	P(C[6a]C[6a]2)2(CC)(O)	C(PC[6a]2O)(CC[6a])	C(C[6a]C[6a]2)(CP)	P(C[6a]C[6a]2)2(CC)(O)	173.4555	2.796	4	173.4555	7.815	4	173.4555	7.815	4	174.3112	6.487	6	170.4123	104.087	35	170.4123	104.087	35
983	983	992	0:SP1_SP1_SP3	C	C	P	4:2:	3:2:	3:3:2:2:	P-4:C-2:	C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:N-2:	C(PC[6a]2N)(CC[6a])	C(C[6a]C[6a]2)(CP)	P(C[6a]C[6a]2)2(CC)(NB)	C(PC[6a]2N)(CC[6a])	C(C[6a]C[6a]2)(CP)	P(C[6a]C[6a]2)2(CC)(NB)	168.9770	0.000	1	168.9770	0.000	1	168.4970	0.461	2	171.5630	28.431	3	170.4123	104.087	35	170.4123	104.087	35
983	983	992	0:SP1_SP1_SP3	C	C	P	4:2:	3:2:	3:3:2:2:	P-4:C-2:	C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:N-2:	C(PC[6a]2N)(CC[6a])	C(C[6a]C[6a]2)(CP)	P(C[6a]C[6a]2)2(CC)(NP)	C(PC[6a]2N)(CC[6a])	C(C[6a]C[6a]2)(CP)	P(C[6a]C[6a]2)2(CC)(NP)	168.0170	0.000	1	168.0170	0.000	1	168.4970	0.461	2	171.5630	28.431	3	170.4123	104.087	35	170.4123	104.087	35
983	983	992	0:SP1_SP1_SP3	C	C	P	4:2:	3:2:	3:3:2:2:	P-4:C-2:	P-3:C-2:	C[6a]-3:C[6a]-3:C-2:N-2:	C(PC[6a]2N)(CP)	C(PC[6a]2)(CP)	P(C[6a]C[6a]2)2(CC)(NB)	C(PC[6a]2N)(CP)	C(PC[6a]2)(CP)	P(C[6a]C[6a]2)2(CC)(NB)	177.6950	0.000	1	177.6950	0.000	1	177.6950	0.000	1	171.5630	28.431	3	170.4123	104.087	35	170.4123	104.087	35
983	983	992	0:SP1_SP1_SP3	C	C	P	4:2:	4:2:	3:3:2:1:	P-4:C-2:	C-4:C-2:	C[6a]-3:C[6a]-3:C-2:O-1:	C(PC[6a]2O)(CC)	C(CC3)(CP)	P(C[6a]C[6a]2)2(CC)(O)	C(PC[6a]2O)(CC)	C(CC3)(CP)	P(C[6a]C[6a]2)2(CC)(O)	175.7780	0.000	1	175.7780	0.000	1	173.4880	10.488	2	173.4880	10.488	2	170.4123	104.087	35	170.4123	104.087	35
983	983	992	0:SP1_SP1_SP3	C	C	P	4:2:	4:2:	3:3:2:1:	P-4:C-2:	C-4:C-2:	C[6a]-3:C[6a]-3:C-2:O-1:	C(PC[6a]2O)(CC)	C(CCHN)(CP)	P(C[6a]C[6a]2)2(CC)(O)	C(PC[6a]2O)(CC)	C(CCHN)(CP)	P(C[6a]C[6a]2)2(CC)(O)	171.1980	0.000	1	171.1980	0.000	1	173.4880	10.488	2	173.4880	10.488	2	170.4123	104.087	35	170.4123	104.087	35
983	983	992	0:SP1_SP1_SP3	C	C	P	4:2:	4:2:	3:3:3:2:	P-4:C-2:	C-4:C-2:	C[6a]-3:C-3:C-3:C-2:	C(PC[6a]CC)(CC)	C(CC3)(CP)	P(C[6a]C[6a]2)(CAlC)(CCP)(CC)	C(PC[6a]CC)(CC)	C(CC3)(CP)	P(C[6a]C[6a]2)(CAlC)(CCP)(CC)	171.8990	0.000	1	171.8990	0.000	1	171.8990	0.000	1	171.8990	0.000	1	170.4123	104.087	35	170.4123	104.087	35
983	983	992	0:SP1_SP1_SP3	C	C	P	4:2:	4:2:	4:4:2:2:	P-4:C-2:	C-4:C-2:	C-4:C-4:C-2:N-2:	C(PCCN)(CC)	C(CC3)(CP)	P(CC3)2(CC)(NP)	C(PCCN)(CC)	C(CC3)(CP)	P(CC3)2(CC)(NP)	172.1060	0.000	1	172.1060	0.000	1	172.1060	0.000	1	172.1060	0.000	1	170.4123	104.087	35	170.4123	104.087	35
983	983	996	0:SP1_SP1_SP3	C	C	Si[4]	4:2:	2:4:	4:3:3:2:	Si[4]-4:C-2:	C-2:C-4:	N[4,5]-4:C[4]-3:C-3:C-2:	C(Si[4]N[4,5]C[4]C)(CC)	C(CSi[4])(CC3)	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)(CC)	C(CSi[4])(CC3)	Si[4](N[4,5]Ga[4]C[5]2)(C[4]Ga[4]C)(CGaC)(CC){3|C<4>,5|H<1>}	177.1030	0.000	1	177.1030	0.000	1	177.1030	0.000	1	177.1030	0.000	1	177.1030	0.000	1	177.1030	0.000	1
983	992	992	0:SP1_SP3_SP3	C	P	P	4:4:	3:3:2:2:	3:3:2:2:	P-4:P-4:	C[6a]-3:C[6a]-3:N-2:C-2:	C[6a]-3:C[6a]-3:N-2:C-2:	C(PC[6a]2N)2	P(C[6a]C[6a]2)2(NSi)(CP)	P(C[6a]C[6a]2)2(NSi)(CP)	C(PC[6a]2N)2	P(C[6a]C[6a]2)2(NSi)(CP)	P(C[6a]C[6a]2)2(NSi)(CP)	137.7010	0.000	1	137.7010	0.000	1	137.7010	0.000	1	137.7010	0.000	1	158.8505	894.603	2	158.8505	894.603	2
983	992	992	0:SP1_SP3_SP3	C	P	P	4:4:	3:3:3:2:	3:3:3:2:	P-4:P-4:	C[6a]-3:C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:C-2:	C(PC[6a]3)2	P(C[6a]C[6a]2)3(CP)	P(C[6a]C[6a]2)3(CP)	C(PC[6a]3)2	P(C[6a]C[6a]2)3(CP)	P(C[6a]C[6a]2)3(CP)	180.0000	0.000	1	180.0000	0.000	1	180.0000	0.000	1	180.0000	0.000	1	158.8505	894.603	2	158.8505	894.603	2
984	3	490	0:SP-NON_SP2_SP3	Ga	B[5a]	C	3:3:4:4:	3:3:4:	4:1:1:1:	B[5a]-3:O[5]-3:C-4:C-4:	N[5a]-3:N[5a]-3:Ga-4:	Ga-4:H-1:H-1:H-1:	Ga(B[5a]N[5a]2)(O[5]C[5]2)(CH3)2	B[5a](N[5a]C[5a]C[6a])2(GaO[5]CC)	C(GaB[5a]O[5]C)(H)3	Ga(B[5a]N[5a]2)(O[5]C[5]2)(CH3)2	B[5a](N[5a]C[5a]C[6a])2(GaO[5]CC){2|H<1>,4|C<3>}	C(GaB[5a]O[5]C)(H)3	118.9745	2.057	2	118.9745	4.231	2	118.9745	4.231	2	118.9745	4.231	2	118.9745	4.231	2	118.9745	4.231	2
984	3	790	0:SP-NON_SP-NON_SP2	Ga	B[5a]	Cl	3:3:1:1:	3:3:4:	4:	B[5a]-3:O[5]-3:Cl-1:Cl-1:	N[5a]-3:N[5a]-3:Ga-4:	Ga-4:	Ga(B[5a]N[5a]2)(O[5]C[5]2)(Cl)2	B[5a](N[5a]C[5a]C[6a])2(GaO[5]Cl2)	Cl(GaB[5a]O[5]Cl)	Ga(B[5a]N[5a]2)(O[5]C[5]2)(Cl)2	B[5a](N[5a]C[5a]C[6a])2(GaO[5]Cl2){2|H<1>,4|C<3>}	Cl(GaB[5a]O[5]Cl)	118.6975	0.122	2	118.6975	0.015	2	118.6975	0.015	2	118.6975	0.015	2	118.6975	0.015	2	118.6975	0.015	2
984	3	916	0:SP-NON_SP2_SP3	Ga	B[5a]	O[5]	3:3:1:1:	3:3:4:	4:4:4:	B[5a]-3:O[5]-3:Br-1:Br-1:	N[5a]-3:N[5a]-3:Ga-4:	C[5]-4:C[5]-4:Ga-4:	Ga(B[5a]N[5a]2)(O[5]C[5]2)(Br)2	B[5a](N[5a]C[5a]C[6a])2(GaO[5]Br2)	O[5](C[5]C[5]HH)2(GaB[5a]Br2)	Ga(B[5a]N[5a]2)(O[5]C[5]2)(Br)2	B[5a](N[5a]C[5a]C[6a])2(GaO[5]Br2){2|H<1>,4|C<3>}	O[5](C[5]C[5]HH)2(GaB[5a]Br2){4|H<1>}	112.8280	0.000	1	112.8280	0.000	1	112.8280	0.000	1	113.1350	0.188	2	110.4393	21.894	3	110.4393	21.894	3
984	3	916	0:SP-NON_SP2_SP3	Ga	B[5a]	O[5]	3:3:1:1:	3:3:4:	4:4:4:	B[5a]-3:O[5]-3:Cl-1:Cl-1:	N[5a]-3:N[5a]-3:Ga-4:	C[5]-4:C[5]-4:Ga-4:	Ga(B[5a]N[5a]2)(O[5]C[5]2)(Cl)2	B[5a](N[5a]C[5a]C[6a])2(GaO[5]Cl2)	O[5](C[5]C[5]HH)2(GaB[5a]Cl2)	Ga(B[5a]N[5a]2)(O[5]C[5]2)(Cl)2	B[5a](N[5a]C[5a]C[6a])2(GaO[5]Cl2){2|H<1>,4|C<3>}	O[5](C[5]C[5]HH)2(GaB[5a]Cl2){4|H<1>}	113.4420	0.000	1	113.4420	0.000	1	113.4420	0.000	1	113.1350	0.188	2	110.4393	21.894	3	110.4393	21.894	3
984	3	916	0:SP-NON_SP2_SP3	Ga	B[5a]	O[5]	3:3:4:4:	3:3:4:	4:4:4:	B[5a]-3:O[5]-3:C-4:C-4:	N[5a]-3:N[5a]-3:Ga-4:	C[5]-4:C[5]-4:Ga-4:	Ga(B[5a]N[5a]2)(O[5]C[5]2)(CH3)2	B[5a](N[5a]C[5a]C[6a])2(GaO[5]CC)	O[5](C[5]C[5]HH)2(GaB[5a]CC)	Ga(B[5a]N[5a]2)(O[5]C[5]2)(CH3)2	B[5a](N[5a]C[5a]C[6a])2(GaO[5]CC){2|H<1>,4|C<3>}	O[5](C[5]C[5]HH)2(GaB[5a]CC){4|H<1>}	105.0480	0.000	1	105.0480	0.000	1	105.0480	0.000	1	105.0480	0.000	1	110.4393	21.894	3	110.4393	21.894	3
984	3	924	0:SP-NON_SP-NON_SP2	Ga	B[5a]	Br	3:3:1:1:	3:3:4:	4:	B[5a]-3:O[5]-3:Br-1:Br-1:	N[5a]-3:N[5a]-3:Ga-4:	Ga-4:	Ga(B[5a]N[5a]2)(O[5]C[5]2)(Br)2	B[5a](N[5a]C[5a]C[6a])2(GaO[5]Br2)	Br(GaB[5a]O[5]Br)	Ga(B[5a]N[5a]2)(O[5]C[5]2)(Br)2	B[5a](N[5a]C[5a]C[6a])2(GaO[5]Br2){2|H<1>,4|C<3>}	Br(GaB[5a]O[5]Br)	117.6600	5.330	2	117.6600	28.411	2	117.6600	28.411	2	117.6600	28.411	2	117.6600	28.411	2	117.6600	28.411	2
984	30	490	0:SP-NON_SP3_SPD5	Ga	B	C	3:5:4:4:	4:1:1:1:1:	4:1:1:1:	O[5]-3:B-5:C-4:C-4:	Ga-4:H-1:H-1:H-1:H-1:	Ga-4:H-1:H-1:H-1:	Ga(O[5]C[5]2)(BH4)(CH3)2	B(GaO[5]CC)(H)4	C(GaO[5]BC)(H)3	Ga(O[5]C[5]2)(BH4)(CH3)2	B(GaO[5]CC)(H)4	C(GaO[5]BC)(H)3	108.6025	4.809	2	108.6025	23.127	2	108.6025	23.127	2	108.6025	23.127	2	108.6025	23.127	2	108.6025	23.127	2
984	30	916	0:SP-NON_SP3_SPD5	Ga	B	O[5]	3:5:4:4:	4:1:1:1:1:	4:4:4:	O[5]-3:B-5:C-4:C-4:	Ga-4:H-1:H-1:H-1:H-1:	C[5]-4:C[5]-4:Ga-4:	Ga(O[5]C[5]2)(BH4)(CH3)2	B(GaO[5]CC)(H)4	O[5](C[5]C[5]HH)2(GaBCC)	Ga(O[5]C[5]2)(BH4)(CH3)2	B(GaO[5]CC)(H)4	O[5](C[5]C[5]HH)2(GaBCC){4|H<1>}	109.9920	0.000	1	109.9920	0.000	1	109.9920	0.000	1	109.9920	0.000	1	109.9920	0.000	1	109.9920	0.000	1
984	278	790	0:SP-NON_SP-NON_SP2	Ga	Ge[6]	Cl	3:1:1:1:	3:3:4:	4:	Ge[6]-3:Cl-1:Cl-1:Cl-1:	C[5,6]-3:C[5,6]-3:Ga-4:	Ga-4:	Ga(Ge[6]C[5,6]2)(Cl)3	Ge[6](C[5,6]N[5,6]N[5])2(GaCl3)	Cl(GaGe[6]Cl2)	Ga(Ge[6]C[5,6]2)(Cl)3	Ge[6](C[5,6]N[5,6]N[5])2(GaCl3){1|C<4>,6|C<3>}	Cl(GaGe[6]Cl2)	115.6630	3.040	3	115.6630	9.239	3	115.6630	9.239	3	115.6630	9.239	3	115.6630	9.239	3	115.6630	9.239	3
984	370	643	0:SP-NON_SP-NON_SP2	Ga	F	C[6a]	3:3:3:2:	4:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:F-2:	Ga-4:Ga-4:	C[6a]-3:C[6a]-3:Ga-4:	Ga(C[6a]C[6a]2)3(FGa)	F(GaC[6a]3)2	C[6a](C[6a]C[6a]F)2(GaC[6a]2F)	Ga(C[6a]C[6a]2)3(FGa)	F(GaC[6a]3)2	C[6a](C[6a]C[6a]F)2(GaC[6a]2F){1|C<3>,2|F<1>}	100.4030	2.339	6	100.4030	5.471	6	100.4030	5.471	6	100.4030	5.471	6	100.4030	5.471	6	100.4030	5.471	6
984	370	790	0:SP-NON_SP-NON_SP-NON	Ga	F	Cl	3:2:1:1:	4:4:	4:	C[5]-3:F-2:Cl-1:Cl-1:	Ga-4:B-4:	Ga-4:	Ga(C[5]N[5]2)(FB)(Cl)2	F(GaC[5]Cl2)(BF3)	Cl(GaC[5]ClF)	Ga(C[5]N[5]2)(FB)(Cl)2	F(GaC[5]Cl2)(BF3)	Cl(GaC[5]ClF)	104.1147	0.390	3	104.1147	0.152	3	104.1147	0.152	3	104.1147	0.152	3	104.1147	0.152	3	104.1147	0.152	3
984	370	818	0:SP-NON_SP-NON_SP2	Ga	F	C[5]	3:2:1:1:	4:4:	3:3:4:	C[5]-3:F-2:Cl-1:Cl-1:	Ga-4:B-4:	N[5]-3:N[5]-3:Ga-4:	Ga(C[5]N[5]2)(FB)(Cl)2	F(GaC[5]Cl2)(BF3)	C[5](N[5]C[6a]C[5])2(GaCl2F)	Ga(C[5]N[5]2)(FB)(Cl)2	F(GaC[5]Cl2)(BF3)	C[5](N[5]C[6a]C[5])2(GaCl2F){2|H<1>,4|C<3>}	99.6779	4.162	2	99.6779	17.323	2	99.6779	17.323	2	99.6779	17.323	2	99.6779	17.323	2	99.6779	17.323	2
984	474	643	0:SP-NON_SP2_SP3	Ga	C[5]	C[6a]	3:4:1:1:	4:3:3:4:	3:3:4:	C[6a]-3:C[5]-4:Cl-1:Cl-1:	Ga-4:C[5]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:Ga-4:	Ga(C[6a]C[6a]2)(C[5]C[5]2C)(Cl)2	C[5](GaC[6a]Cl2)(C[5]C[5]C)2(CH3)	C[6a](C[6a]C[6a]F)2(GaC[5]Cl2)	Ga(C[6a]C[6a]2)(C[5]C[5]2C)(Cl)2	C[5](GaC[6a]Cl2)(C[5]C[5]C)2(CH3){2|C<4>}	C[6a](C[6a]C[6a]F)2(GaC[5]Cl2){1|C<3>,2|F<1>}	122.5190	0.000	1	122.5190	0.000	1	122.5190	0.000	1	122.5190	0.000	1	122.5190	0.000	1	122.5190	0.000	1
984	474	790	0:SP-NON_SP-NON_SP3	Ga	C[5]	Cl	3:4:1:1:	4:3:3:4:	4:	C[6a]-3:C[5]-4:Cl-1:Cl-1:	Ga-4:C[5]-3:C[5]-3:C-4:	Ga-4:	Ga(C[6a]C[6a]2)(C[5]C[5]2C)(Cl)2	C[5](GaC[6a]Cl2)(C[5]C[5]C)2(CH3)	Cl(GaC[6a]C[5]Cl)	Ga(C[6a]C[6a]2)(C[5]C[5]2C)(Cl)2	C[5](GaC[6a]Cl2)(C[5]C[5]C)2(CH3){2|C<4>}	Cl(GaC[6a]C[5]Cl)	111.9220	2.495	2	111.9220	6.223	2	111.9220	6.223	2	111.9220	6.223	2	112.1211	28.461	25	112.1211	28.461	25
984	474	790	0:SP-NON_SP-NON_SP3	Ga	C[5]	Cl	4:1:1:1:	3:3:4:1:	4:	C[5]-4:Cl-1:Cl-1:Cl-1:	C[5,6a]-3:C[5]-3:Ga-4:H-1:	Ga-4:	Ga(C[5]C[5,6a]C[5]H)(Cl)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(GaCl3)(H)	Cl(GaC[5]Cl2)	Ga(C[5]C[5,6a]C[5]H)(Cl)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(GaCl3)(H){1|C<4>,1|H<1>,2|C<3>}	Cl(GaC[5]Cl2)	106.6098	1.875	6	106.6098	3.515	6	106.6098	3.515	6	106.6098	3.515	6	112.1211	28.461	25	112.1211	28.461	25
984	474	790	0:SP-NON_SP-NON_SP3	Ga	C[5]	Cl	4:1:1:1:	3:3:4:4:	4:	C[5]-4:Cl-1:Cl-1:Cl-1:	C[5]-3:C[5]-3:Ga-4:Si-4:	Ga-4:	Ga(C[5]C[5]2Si)(Cl)3	C[5](C[5]C[5]C)2(GaCl3)(SiCCN)	Cl(GaC[5]Cl2)	Ga(C[5]C[5]2Si)(Cl)3	C[5](C[5]C[5]C)2(GaCl3)(SiCCN){2|C<4>}	Cl(GaC[5]Cl2)	112.7030	3.848	6	112.7030	14.807	6	112.7030	14.807	6	112.7030	14.807	6	112.1211	28.461	25	112.1211	28.461	25
984	474	790	0:SP-NON_SP-NON_SP3	Ga	C[5]	Cl	4:1:1:1:	3:4:4:1:	4:	C[5]-4:Cl-1:Cl-1:Cl-1:	C[5,6]-3:P[5]-4:Ga-4:H-1:	Ga-4:	Ga(C[5]C[5,6]P[5]H)(Cl)3	C[5](C[5,6]N[5,6]C[6])(P[5]B[5]CC)(GaCl3)(H)	Cl(GaC[5]Cl2)	Ga(C[5]C[5,6]P[5]H)(Cl)3	C[5](C[5,6]N[5,6]C[6])(P[5]B[5]CC)(GaCl3)(H){1|Cl<1>,1|H<1>,3|C<3>}	Cl(GaC[5]Cl2)	111.8257	8.668	3	111.8257	75.126	3	111.8257	75.126	3	111.8257	75.126	3	112.1211	28.461	25	112.1211	28.461	25
984	474	790	0:SP-NON_SP-NON_SP3	Ga	C[5]	Cl	4:3:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-3:Cl-1:Cl-1:	N[5]-3:C[5]-4:Ga-4:H-1:	Ga-4:	Ga(C[5]C[5]N[5]H)(C[5]N[5]2)(Cl)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(GaC[5]Cl2)(H)	Cl(GaC[5]2Cl)	Ga(C[5]C[5]N[5]H)(C[5]N[5]2)(Cl)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(GaC[5]Cl2)(H){2|C<3>,2|C<4>,2|H<1>}	Cl(GaC[5]2Cl)	112.3440	4.103	2	112.3440	16.832	2	112.3440	16.832	2	112.6460	5.855	4	112.1211	28.461	25	112.1211	28.461	25
984	474	790	0:SP-NON_SP-NON_SP3	Ga	C[5]	Cl	4:3:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-3:Cl-1:H-1:	N[5]-3:C[5]-4:Ga-4:H-1:	Ga-4:	Ga(C[5]C[5]N[5]H)(C[5]N[5]2)(Cl)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(GaC[5]ClH)(H)	Cl(GaC[5]2H)	Ga(C[5]C[5]N[5]H)(C[5]N[5]2)(Cl)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(GaC[5]ClH)(H){2|C<3>,2|C<4>,2|H<1>}	Cl(GaC[5]2H)	112.9480	0.608	2	112.9480	0.370	2	112.9480	0.370	2	112.6460	5.855	4	112.1211	28.461	25	112.1211	28.461	25
984	474	790	0:SP-NON_SP-NON_SP3	Ga	C[5]	Cl	4:3:1:1:	4:3:3:4:	4:	C[5]-4:O[5]-3:Cl-1:Cl-1:	Ga-4:C[5]-3:C[5]-3:C-4:	Ga-4:	Ga(C[5]C[5]2C)(O[5]C[5]2)(Cl)2	C[5](GaO[5]Cl2)(C[5]C[5]C)(C[5]C[5]H)(CC3)	Cl(GaC[5]O[5]Cl)	Ga(C[5]C[5]2C)(O[5]C[5]2)(Cl)2	C[5](GaO[5]Cl2)(C[5]C[5]C)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	Cl(GaC[5]O[5]Cl)	119.3113	2.881	4	119.3113	8.299	4	119.3113	8.299	4	119.3113	8.299	4	112.1211	28.461	25	112.1211	28.461	25
984	474	818	0:SP-NON_SP2_SP3	Ga	C[5]	C[5]	4:3:1:1:	3:4:4:1:	3:3:4:	C[5]-4:C[5]-3:H-1:H-1:	N[5]-3:C[5]-4:Ga-4:H-1:	N[5]-3:N[5]-3:Ga-4:	Ga(C[5]C[5]N[5]H)(C[5]N[5]2)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(GaC[5]HH)(H)	C[5](N[5]C[5]C)2(GaC[5]HH)	Ga(C[5]C[5]N[5]H)(C[5]N[5]2)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(GaC[5]HH)(H){2|C<3>,2|C<4>,2|H<1>}	C[5](N[5]C[5]C)2(GaC[5]HH){2|C<4>}	108.1043	0.855	3	108.1043	0.732	3	108.7540	2.176	4	108.7540	2.176	4	111.6587	15.480	7	111.6587	15.480	7
984	474	818	0:SP-NON_SP2_SP3	Ga	C[5]	C[5]	4:3:1:1:	3:4:4:1:	3:3:4:	C[5]-4:C[5]-3:H-1:H-1:	N[5]-3:C[5]-4:Ga-4:H-1:	N[5]-3:N[5]-3:Ga-4:	Ga(C[5]C[5]N[5]H)(C[5]N[5]2)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(GaC[5]HH)(H)	C[5](N[5]C[6a]C[5])2(GaC[5]HH)	Ga(C[5]C[5]N[5]H)(C[5]N[5]2)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(GaC[5]HH)(H){2|C<3>,2|C<4>,2|H<1>}	C[5](N[5]C[6a]C[5])2(GaC[5]HH){2|H<1>,4|C<3>}	110.7030	0.000	1	110.7030	0.000	1	108.7540	2.176	4	108.7540	2.176	4	111.6587	15.480	7	111.6587	15.480	7
984	474	818	0:SP-NON_SP2_SP3	Ga	C[5]	C[5]	4:3:1:1:	3:4:4:1:	4:3:3:	C[5]-4:C[5]-3:Cl-1:Cl-1:	N[5]-3:C[5]-4:Ga-4:H-1:	Ga-4:N[5]-3:N[5]-3:	Ga(C[5]C[5]N[5]H)(C[5]N[5]2)(Cl)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(GaC[5]Cl2)(H)	C[5](GaC[5]Cl2)(N[5]C[5]C)2	Ga(C[5]C[5]N[5]H)(C[5]N[5]2)(Cl)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(GaC[5]Cl2)(H){2|C<3>,2|C<4>,2|H<1>}	C[5](GaC[5]Cl2)(N[5]C[5]C)2{2|C<4>}	117.7330	0.000	1	117.7330	0.000	1	117.7330	0.000	1	115.5317	3.802	3	111.6587	15.480	7	111.6587	15.480	7
984	474	818	0:SP-NON_SP2_SP3	Ga	C[5]	C[5]	4:3:1:1:	3:4:4:1:	4:3:3:	C[5]-4:C[5]-3:Cl-1:H-1:	N[5]-3:C[5]-4:Ga-4:H-1:	Ga-4:N[5]-3:N[5]-3:	Ga(C[5]C[5]N[5]H)(C[5]N[5]2)(Cl)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(GaC[5]ClH)(H)	C[5](GaC[5]ClH)(N[5]C[5]C)2	Ga(C[5]C[5]N[5]H)(C[5]N[5]2)(Cl)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(GaC[5]ClH)(H){2|C<3>,2|C<4>,2|H<1>}	C[5](GaC[5]ClH)(N[5]C[5]C)2{2|C<4>}	114.4310	0.578	2	114.4310	0.335	2	114.4310	0.335	2	115.5317	3.802	3	111.6587	15.480	7	111.6587	15.480	7
984	474	916	0:SP-NON_SP3_SP3	Ga	C[5]	O[5]	4:3:1:1:	4:3:3:4:	4:4:4:	C[5]-4:O[5]-3:Cl-1:Cl-1:	Ga-4:C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-4:Ga-4:	Ga(C[5]C[5]2C)(O[5]C[5]2)(Cl)2	C[5](GaO[5]Cl2)(C[5]C[5]C)(C[5]C[5]H)(CC3)	O[5](C[5]C[5]HH)2(GaC[5]Cl2)	Ga(C[5]C[5]2C)(O[5]C[5]2)(Cl)2	C[5](GaO[5]Cl2)(C[5]C[5]C)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	O[5](C[5]C[5]HH)2(GaC[5]Cl2){4|H<1>}	112.0185	0.136	2	112.0185	0.019	2	112.0185	0.019	2	112.0185	0.019	2	112.0185	0.019	2	112.0185	0.019	2
984	474	951	0:SP-NON_SP-NON_SP3	Ga	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-3:Cl-1:H-1:	N[5]-3:C[5]-4:Ga-4:H-1:	Ga-4:	Ga(C[5]C[5]N[5]H)(C[5]N[5]2)(Cl)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(GaC[5]ClH)(H)	H(GaC[5]2Cl)	Ga(C[5]C[5]N[5]H)(C[5]N[5]2)(Cl)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(GaC[5]ClH)(H){2|C<3>,2|C<4>,2|H<1>}	H(GaC[5]2Cl)	119.4365	1.098	2	119.4365	1.206	2	119.4365	1.206	2	115.2014	14.286	10	115.2014	14.286	10	115.2014	14.286	10
984	474	951	0:SP-NON_SP-NON_SP3	Ga	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	N[5]-3:C[5]-4:Ga-4:H-1:	Ga-4:	Ga(C[5]C[5]N[5]H)(C[5]N[5]2)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(GaC[5]HH)(H)	H(GaC[5]2H)	Ga(C[5]C[5]N[5]H)(C[5]N[5]2)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(GaC[5]HH)(H){2|C<3>,2|C<4>,2|H<1>}	H(GaC[5]2H)	114.1426	3.434	8	114.1426	11.789	8	114.1426	11.789	8	115.2014	14.286	10	115.2014	14.286	10	115.2014	14.286	10
984	490	490	0:SP-NON_SP3_SP3	Ga	C	C	2:2:4:4:	4:1:1:1:	4:1:1:1:	S-2:S-2:C-4:C-4:	Ga-4:H-1:H-1:H-1:	Ga-4:H-1:H-1:H-1:	Ga(SC[6a])2(CH3)2	C(GaCSS)(H)3	C(GaCSS)(H)3	Ga(SC[6a])2(CH3)2	C(GaCSS)(H)3	C(GaCSS)(H)3	118.8750	0.000	1	118.8750	0.000	1	118.8750	0.000	1	120.2985	4.053	2	116.0159	38.416	98	116.0159	38.416	98
984	490	490	0:SP-NON_SP3_SP3	Ga	C	C	2:2:4:4:	4:1:1:1:	4:1:1:1:	Se-2:Se-2:C-4:C-4:	Ga-4:H-1:H-1:H-1:	Ga-4:H-1:H-1:H-1:	Ga(SeC[6a])2(CH3)2	C(GaSe2C)(H)3	C(GaSe2C)(H)3	Ga(SeC[6a])2(CH3)2	C(GaSe2C)(H)3	C(GaSe2C)(H)3	121.7220	0.000	1	121.7220	0.000	1	121.7220	0.000	1	120.2985	4.053	2	116.0159	38.416	98	116.0159	38.416	98
984	490	490	0:SP-NON_SP3_SP3	Ga	C	C	2:4:4:2:	4:4:4:4:	4:4:4:4:	O-2:C-4:C-4:O-2:	Ga-4:C-4:C-4:C-4:	Ga-4:C-4:C-4:C-4:	Ga(ON[6])(CC3)2(ON)	C(GaCOO)(CH3)3	C(GaCOO)(CH3)3	Ga(ON[6])(CC3)2(ON)	C(GaCOO)(CH3)3	C(GaCOO)(CH3)3	120.9400	0.000	1	120.9400	0.000	1	120.9400	0.000	1	120.9400	0.000	1	116.0159	38.416	98	116.0159	38.416	98
984	490	490	0:SP-NON_SP3_SP3	Ga	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:O-2:C-4:C-4:	Ga-4:H-1:H-1:H-1:	Ga-4:H-1:H-1:H-1:	Ga(C[5]N[5]2)(OC[6a])(CH3)2	C(GaC[5]CO)(H)3	C(GaC[5]CO)(H)3	Ga(C[5]N[5]2)(OC[6a])(CH3)2	C(GaC[5]CO)(H)3	C(GaC[5]CO)(H)3	121.7530	3.264	2	121.7530	10.654	2	121.7530	10.654	2	121.7530	10.654	2	116.0159	38.416	98	116.0159	38.416	98
984	490	490	0:SP-NON_SP3_SP3	Ga	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	B[5a]-3:O[5]-3:C-4:C-4:	Ga-4:H-1:H-1:H-1:	Ga-4:H-1:H-1:H-1:	Ga(B[5a]N[5a]2)(O[5]C[5]2)(CH3)2	C(GaB[5a]O[5]C)(H)3	C(GaB[5a]O[5]C)(H)3	Ga(B[5a]N[5a]2)(O[5]C[5]2)(CH3)2	C(GaB[5a]O[5]C)(H)3	C(GaB[5a]O[5]C)(H)3	113.1740	0.000	1	113.1740	0.000	1	113.1740	0.000	1	121.2394	15.072	8	116.0159	38.416	98	116.0159	38.416	98
984	490	490	0:SP-NON_SP3_SP3	Ga	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:O-3:C-4:C-4:	Ga-4:H-1:H-1:H-1:	Ga-4:H-1:H-1:H-1:	Ga(C[5]N[5]2)(OGaC)(CH3)2	C(GaC[5]CO)(H)3	C(GaC[5]CO)(H)3	Ga(C[5]N[5]2)(OGaC)(CH3)2	C(GaC[5]CO)(H)3	C(GaC[5]CO)(H)3	122.0080	0.000	1	122.0080	0.000	1	122.0080	0.000	1	121.2394	15.072	8	116.0159	38.416	98	116.0159	38.416	98
984	490	490	0:SP-NON_SP3_SP3	Ga	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:N[5]-3:C-4:C-4:	Ga-4:H-1:H-1:H-1:	Ga-4:H-1:H-1:H-1:	Ga(N[5]C[5,6a]C[5])2(CH3)2	C(GaN[5]2C)(H)3	C(GaN[5]2C)(H)3	Ga(N[5]C[5,6a]C[5])2(CH3)2	C(GaN[5]2C)(H)3	C(GaN[5]2C)(H)3	123.7037	2.967	3	123.7037	8.803	3	123.7037	8.803	3	121.2394	15.072	8	116.0159	38.416	98	116.0159	38.416	98
984	490	490	0:SP-NON_SP3_SP3	Ga	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	S-3:S-3:C-4:C-4:	Ga-4:H-1:H-1:H-1:	Ga-4:H-1:H-1:H-1:	Ga(SC[6a]Cu)2(CH3)2	C(GaCSS)(H)3	C(GaCSS)(H)3	Ga(SC[6a]Cu)2(CH3)2	C(GaCSS)(H)3	C(GaCSS)(H)3	121.7385	1.531	2	121.7385	2.344	2	121.2073	2.018	3	121.2394	15.072	8	116.0159	38.416	98	116.0159	38.416	98
984	490	490	0:SP-NON_SP3_SP3	Ga	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	S-3:S-3:C-4:C-4:	Ga-4:H-1:H-1:H-1:	Ga-4:H-1:H-1:H-1:	Ga(SCuC)2(CH3)2	C(GaCSS)(H)3	C(GaCSS)(H)3	Ga(SCuC)2(CH3)2	C(GaCSS)(H)3	C(GaCSS)(H)3	120.1450	0.000	1	120.1450	0.000	1	121.2073	2.018	3	121.2394	15.072	8	116.0159	38.416	98	116.0159	38.416	98
984	490	490	0:SP-NON_SP3_SP3	Ga	C	C	3:3:4:4:	4:4:4:4:	4:4:4:4:	C[5]-3:P-3:C-4:C-4:	Ga-4:C-4:C-4:C-4:	Ga-4:C-4:C-4:C-4:	Ga(C[5]C[5]N[5])(PSiH)(CC3)2	C(GaC[5]CP)(CH3)3	C(GaC[5]CP)(CH3)3	Ga(C[5]C[5]N[5])(PSiH)(CC3)2	C(GaC[5]CP)(CH3)3	C(GaC[5]CP)(CH3)3	118.2820	0.000	1	118.2820	0.000	1	118.2820	0.000	1	118.2820	0.000	1	116.0159	38.416	98	116.0159	38.416	98
984	490	490	0:SP-NON_SP3_SP3	Ga	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:Cl-1:	Ga-4:H-1:H-1:H-1:	Ga-4:H-1:H-1:H-1:	Ga(NC[6a]C)(CH3)2(Cl)	C(GaClCN)(H)3	C(GaClCN)(H)3	Ga(NC[6a]C)(CH3)2(Cl)	C(GaClCN)(H)3	C(GaClCN)(H)3	121.1010	0.000	1	121.1010	0.000	1	121.1010	0.000	1	121.1010	0.000	1	116.0159	38.416	98	116.0159	38.416	98
984	490	490	0:SP-NON_SP3_SP3	Ga	C	C	3:4:4:2:	4:1:1:1:	4:1:1:1:	C[5]-3:C-4:C-4:O-2:	Ga-4:H-1:H-1:H-1:	Ga-4:H-1:H-1:H-1:	Ga(C[5]N[5]2)(CH3)2(OC)	C(GaC[5]CO)(H)3	C(GaC[5]CO)(H)3	Ga(C[5]N[5]2)(CH3)2(OC)	C(GaC[5]CO)(H)3	C(GaC[5]CO)(H)3	115.6330	0.154	2	115.6330	0.024	2	115.6330	0.024	2	117.8940	55.876	5	116.0159	38.416	98	116.0159	38.416	98
984	490	490	0:SP-NON_SP3_SP3	Ga	C	C	3:4:4:2:	4:1:1:1:	4:1:1:1:	C[6]-3:C-4:C-4:O-2:	Ga-4:H-1:H-1:H-1:	Ga-4:H-1:H-1:H-1:	Ga(C[6]N[6]2)(CH3)2(OC)	C(GaC[6]CO)(H)3	C(GaC[6]CO)(H)3	Ga(C[6]N[6]2)(CH3)2(OC)	C(GaC[6]CO)(H)3	C(GaC[6]CO)(H)3	107.8780	0.000	1	107.8780	0.000	1	107.8780	0.000	1	117.8940	55.876	5	116.0159	38.416	98	116.0159	38.416	98
984	490	490	0:SP-NON_SP3_SP3	Ga	C	C	3:4:4:2:	4:1:1:1:	4:1:1:1:	N[6]-3:C-4:C-4:O-2:	Ga-4:H-1:H-1:H-1:	Ga-4:H-1:H-1:H-1:	Ga(N[6]C[6]2)(CH3)2(OC)	C(GaN[6]CO)(H)3	C(GaN[6]CO)(H)3	Ga(N[6]C[6]2)(CH3)2(OC)	C(GaN[6]CO)(H)3	C(GaN[6]CO)(H)3	127.0680	0.000	1	127.0680	0.000	1	127.0680	0.000	1	117.8940	55.876	5	116.0159	38.416	98	116.0159	38.416	98
984	490	490	0:SP-NON_SP3_SP3	Ga	C	C	3:4:4:2:	4:1:1:1:	4:1:1:1:	O-3:C-4:C-4:O-2:	Ga-4:H-1:H-1:H-1:	Ga-4:H-1:H-1:H-1:	Ga(OAlH)(CH3)2(OSi)	C(GaCOO)(H)3	C(GaCOO)(H)3	Ga(OAlH)(CH3)2(OSi)	C(GaCOO)(H)3	C(GaCOO)(H)3	123.2580	0.000	1	123.2580	0.000	1	123.2580	0.000	1	117.8940	55.876	5	116.0159	38.416	98	116.0159	38.416	98
984	490	490	0:SP-NON_SP3_SP3	Ga	C	C	3:4:4:2:	4:4:1:1:	4:4:1:1:	N[6]-3:C-4:C-4:C-2:	Ga-4:C-4:H-1:H-1:	Ga-4:C-4:H-1:H-1:	Ga(N[6]C[6]2)(CCHH)2(CC)	C(GaN[6]CC)(CH3)(H)2	C(GaN[6]CC)(CH3)(H)2	Ga(N[6]C[6]2)(CCHH)2(CC)	C(GaN[6]CC)(CH3)(H)2	C(GaN[6]CC)(CH3)(H)2	124.1540	0.000	1	124.1540	0.000	1	124.1540	0.000	1	124.1540	0.000	1	116.0159	38.416	98	116.0159	38.416	98
984	490	490	0:SP-NON_SP3_SP3	Ga	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:C-4:C-4:C-4:	Ga-4:H-1:H-1:H-1:	Ga-4:H-1:H-1:H-1:	Ga(C[5]N[5]2)(CH3)3	C(GaC[5]CC)(H)3	C(GaC[5]CC)(H)3	Ga(C[5]N[5]2)(CH3)3	C(GaC[5]CC)(H)3	C(GaC[5]CC)(H)3	112.1037	2.115	30	112.1037	4.472	30	112.1037	4.472	30	112.3840	4.883	33	116.0159	38.416	98	116.0159	38.416	98
984	490	490	0:SP-NON_SP3_SP3	Ga	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	O-3:C-4:C-4:C-4:	Ga-4:H-1:H-1:H-1:	Ga-4:H-1:H-1:H-1:	Ga(OGaC)(CH3)3	C(GaCCO)(H)3	C(GaCCO)(H)3	Ga(OGaC)(CH3)3	C(GaCCO)(H)3	C(GaCCO)(H)3	115.1867	0.571	3	115.1867	0.326	3	115.1867	0.326	3	112.3840	4.883	33	116.0159	38.416	98	116.0159	38.416	98
984	490	490	0:SP-NON_SP3_SP3	Ga	C	C	3:4:4:4:	4:4:1:1:	4:4:1:1:	C[5]-3:C-4:C-4:C-4:	Ga-4:Si-4:H-1:H-1:	Ga-4:Si-4:H-1:H-1:	Ga(C[5]C[5]N[5])(CSiHH)3	C(GaC[5]CC)(SiC3)(H)2	C(GaC[5]CC)(SiC3)(H)2	Ga(C[5]C[5]N[5])(CSiHH)3	C(GaC[5]CC)(SiC3)(H)2	C(GaC[5]CC)(SiC3)(H)2	112.6097	2.082	3	112.6097	4.336	3	112.6097	4.336	3	112.6097	4.336	3	116.0159	38.416	98	116.0159	38.416	98
984	490	490	0:SP-NON_SP3_SP3	Ga	C	C	3:5:4:4:	4:1:1:1:	4:1:1:1:	O[5]-3:B-5:C-4:C-4:	Ga-4:H-1:H-1:H-1:	Ga-4:H-1:H-1:H-1:	Ga(O[5]C[5]2)(BH4)(CH3)2	C(GaO[5]BC)(H)3	C(GaO[5]BC)(H)3	Ga(O[5]C[5]2)(BH4)(CH3)2	C(GaO[5]BC)(H)3	C(GaO[5]BC)(H)3	130.1320	0.000	1	130.1320	0.000	1	130.1320	0.000	1	130.1320	0.000	1	116.0159	38.416	98	116.0159	38.416	98
984	490	490	0:SP-NON_SP3_SP3	Ga	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:Cl-1:Cl-1:	C[5]-3:Ga-4:H-1:H-1:	C[5]-3:Ga-4:H-1:H-1:	Ga(CC[5]HH)2(Cl)2	C(C[5]N[5]2)(GaCl2C)(H)2	C(C[5]N[5]2)(GaCl2C)(H)2	Ga(CC[5]HH)2(Cl)2	C(C[5]N[5]2)(GaCl2C)(H)2	C(C[5]N[5]2)(GaCl2C)(H)2	120.4400	0.000	1	120.4400	0.000	1	120.4400	0.000	1	120.4400	0.000	1	116.0159	38.416	98	116.0159	38.416	98
984	490	490	0:SP-NON_SP3_SP3	Ga	C	C	4:4:1:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:Cl-1:Cl-1:	Ga-4:H-1:H-1:H-1:	Ga-4:H-1:H-1:H-1:	Ga(CH3)2(Cl)2	C(GaCl2C)(H)3	C(GaCl2C)(H)3	Ga(CH3)2(Cl)2	C(GaCl2C)(H)3	C(GaCl2C)(H)3	121.4385	2.006	2	121.4385	4.024	2	121.4385	4.024	2	121.4385	4.024	2	116.0159	38.416	98	116.0159	38.416	98
984	490	490	0:SP-NON_SP3_SP3	Ga	C	C	4:4:2:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:O-2:Cl-1:	Ga-4:H-1:H-1:H-1:	Ga-4:H-1:H-1:H-1:	Ga(CH3)2(OC)(Cl)	C(GaClCO)(H)3	C(GaClCO)(H)3	Ga(CH3)2(OC)(Cl)	C(GaClCO)(H)3	C(GaClCO)(H)3	125.9190	0.000	1	125.9190	0.000	1	125.9190	0.000	1	125.9190	0.000	1	116.0159	38.416	98	116.0159	38.416	98
984	490	490	0:SP-NON_SP3_SP3	Ga	C	C	4:4:2:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:O-2:O-2:	Ga-4:H-1:H-1:H-1:	Ga-4:H-1:H-1:H-1:	Ga(CH3)2(OC)2	C(GaCOO)(H)3	C(GaCOO)(H)3	Ga(CH3)2(OC)2	C(GaCOO)(H)3	C(GaCOO)(H)3	130.4320	0.939	2	130.4320	0.882	2	130.4320	0.882	2	130.4320	0.882	2	116.0159	38.416	98	116.0159	38.416	98
984	490	490	0:SP-NON_SP3_SP3	Ga	C	C	4:4:2:2:	4:4:1:1:	4:4:1:1:	C-4:C-4:O-2:O-2:	Ga-4:C-4:H-1:H-1:	Ga-4:C-4:H-1:H-1:	Ga(CCHH)2(OP)2	C(GaCOO)(CH3)(H)2	C(GaCOO)(CH3)(H)2	Ga(CCHH)2(OP)2	C(GaCOO)(CH3)(H)2	C(GaCOO)(CH3)(H)2	128.4240	1.930	2	128.4240	3.726	2	128.4240	3.726	2	128.4240	3.726	2	116.0159	38.416	98	116.0159	38.416	98
984	490	490	0:SP-NON_SP3_SP3	Ga	C	C	4:4:2:2:	4:4:4:1:	4:4:4:1:	C-4:C-4:O-2:O-2:	Ga-4:Si-4:Si-4:H-1:	Ga-4:Si-4:Si-4:H-1:	Ga(CSi2H)2(OLi)2	C(GaCOO)(SiC3)2(H)	C(GaCOO)(SiC3)2(H)	Ga(CSi2H)2(OLi)2	C(GaCOO)(SiC3)2(H)	C(GaCOO)(SiC3)2(H)	125.1440	0.000	1	125.1440	0.000	1	125.1440	0.000	1	125.1440	0.000	1	116.0159	38.416	98	116.0159	38.416	98
984	490	490	0:SP-NON_SP3_SP3	Ga	C	C	4:4:3:3:	4:4:1:1:	4:4:1:1:	C-4:C-4:S-3:S-3:	Ga-4:C-4:H-1:H-1:	Ga-4:C-4:H-1:H-1:	Ga(CCHH)2(SCuC)2	C(GaCSS)(CH3)(H)2	C(GaCSS)(CH3)(H)2	Ga(CCHH)2(SCuC)2	C(GaCSS)(CH3)(H)2	C(GaCSS)(CH3)(H)2	122.5930	5.175	2	122.5930	26.777	2	122.5930	26.777	2	122.5930	26.777	2	116.0159	38.416	98	116.0159	38.416	98
984	490	490	0:SP-NON_SP3_SP3	Ga	C	C	4:4:3:3:	4:4:4:1:	4:4:4:1:	C-4:C-4:S-3:S-3:	Ga-4:C-4:C-4:H-1:	Ga-4:C-4:C-4:H-1:	Ga(CCCH)2(SCuC)2	C(GaCSS)(CH3)2(H)	C(GaCSS)(CH3)2(H)	Ga(CCCH)2(SCuC)2	C(GaCSS)(CH3)2(H)	C(GaCSS)(CH3)2(H)	123.0060	0.717	2	123.0060	0.514	2	123.0060	0.514	2	123.0060	0.514	2	116.0159	38.416	98	116.0159	38.416	98
984	490	490	0:SP-NON_SP3_SP3	Ga	C	C	4:4:4:1:	4:4:1:1:	4:4:4:4:	C-4:C-4:C-4:Cl-1:	Ga-4:N-4:H-1:H-1:	Ga-4:C-4:C-4:C-4:	Ga(CHHN)(CC3)2(Cl)	C(GaClCC)(NCCH)(H)2	C(GaClCC)(CH3)3	Ga(CHHN)(CC3)2(Cl)	C(GaClCC)(NCCH)(H)2	C(GaClCC)(CH3)3	110.9905	8.179	2	110.9905	66.898	2	110.9905	66.898	2	110.9905	66.898	2	116.0159	38.416	98	116.0159	38.416	98
984	490	490	0:SP-NON_SP3_SP3	Ga	C	C	4:4:4:1:	4:4:4:4:	4:4:4:4:	C-4:C-4:C-4:Cl-1:	Ga-4:C-4:C-4:C-4:	Ga-4:C-4:C-4:C-4:	Ga(CHHN)(CC3)2(Cl)	C(GaClCC)(CH3)3	C(GaClCC)(CH3)3	Ga(CHHN)(CC3)2(Cl)	C(GaClCC)(CH3)3	C(GaClCC)(CH3)3	122.9120	0.000	1	122.9120	0.000	1	122.9120	0.000	1	122.9120	0.000	1	116.0159	38.416	98	116.0159	38.416	98
984	490	490	0:SP-NON_SP3_SP3	Ga	C	C	4:4:4:2:	4:4:4:4:	4:4:4:4:	C-4:C-4:C-4:C-2:	Ga-4:C-4:C-4:C-4:	Ga-4:C-4:C-4:C-4:	Ga(CC3)3(CN)	C(GaC3)(CH3)3	C(GaC3)(CH3)3	Ga(CC3)3(CN)	C(GaC3)(CH3)3	C(GaC3)(CH3)3	116.9931	0.302	9	116.9931	0.091	9	116.9931	0.091	9	116.9931	0.091	9	116.0159	38.416	98	116.0159	38.416	98
984	490	490	0:SP-NON_SP3_SP3	Ga	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	Ga-4:H-1:H-1:H-1:	Ga-4:H-1:H-1:H-1:	Ga(CH3)3(CPP)	C(GaC3)(H)3	C(GaC3)(H)3	Ga(CH3)3(CPP)	C(GaC3)(H)3	C(GaC3)(H)3	110.0027	2.945	3	110.0027	8.671	3	110.0027	8.671	3	110.0027	8.671	3	116.0159	38.416	98	116.0159	38.416	98
984	490	490	0:SP-NON_SP3_SP3	Ga	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	Ga-4:Si-4:H-1:H-1:	Ga-4:Si-4:H-1:H-1:	Ga(CSiHH)4	C(GaC3)(SiC3)(H)2	C(GaC3)(SiC3)(H)2	Ga(CSiHH)4	C(GaC3)(SiC3)(H)2	C(GaC3)(SiC3)(H)2	109.4857	2.579	12	109.4857	6.650	12	109.4857	6.650	12	109.4857	6.650	12	116.0159	38.416	98	116.0159	38.416	98
984	490	542	0:SP-NON_SP2_SP3	Ga	C	N[5]	3:3:4:4:	4:1:1:1:	3:3:4:	N[5]-3:N[5]-3:C-4:C-4:	Ga-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:Ga-4:	Ga(N[5]C[5,6a]C[5])2(CH3)2	C(GaN[5]2C)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(GaN[5]CC)	Ga(N[5]C[5,6a]C[5])2(CH3)2	C(GaN[5]2C)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(GaN[5]CC){1|Ga<4>,1|H<1>,2|C<3>}	108.5542	4.095	4	108.5542	16.768	4	108.0368	8.544	12	108.0368	8.544	12	108.0368	8.544	12	108.0368	8.544	12
984	490	542	0:SP-NON_SP2_SP3	Ga	C	N[5]	3:3:4:4:	4:1:1:1:	3:3:4:	N[5]-3:N[5]-3:C-4:C-4:	Ga-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:Ga-4:	Ga(N[5]C[5,6a]C[5])2(CH3)2	C(GaN[5]2C)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(GaN[5]CC)	Ga(N[5]C[5,6a]C[5])2(CH3)2	C(GaN[5]2C)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(GaN[5]CC){1|Ga<4>,1|H<1>,2|C<3>}	107.7781	2.452	8	107.7781	6.011	8	108.0368	8.544	12	108.0368	8.544	12	108.0368	8.544	12	108.0368	8.544	12
984	490	643	0:SP-NON_SP2_SP3	Ga	C	C[6a]	3:3:3:4:	4:1:1:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:C-4:	Ga-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:Ga-4:	Ga(C[6a]C[6a]2)2(NC[6,6]N[6])(CH3)	C(GaC[6a]2N)(H)3	C[6a](C[6a]C[6a]F)2(GaC[6a]CN)	Ga(C[6a]C[6a]2)2(NC[6,6]N[6])(CH3)	C(GaC[6a]2N)(H)3	C[6a](C[6a]C[6a]F)2(GaC[6a]CN){1|C<3>,2|F<1>}	110.7100	3.322	2	110.7100	11.036	2	110.7100	11.036	2	110.7100	11.036	2	110.7100	11.036	2	110.7100	11.036	2
984	490	762	0:SP-NON_SP2_SP3	Ga	C	C[6]	3:4:4:2:	4:1:1:1:	3:3:4:	C[6]-3:C-4:C-4:O-2:	Ga-4:H-1:H-1:H-1:	N[6]-3:N[6]-3:Ga-4:	Ga(C[6]N[6]2)(CH3)2(OC)	C(GaC[6]CO)(H)3	C[6](N[6]C[6a]C[6])2(GaCCO)	Ga(C[6]N[6]2)(CH3)2(OC)	C(GaC[6]CO)(H)3	C[6](N[6]C[6a]C[6])2(GaCCO){1|C<4>,4|C<3>,4|H<1>}	113.8915	1.992	2	113.8915	3.968	2	113.8915	3.968	2	113.8915	3.968	2	113.8915	3.968	2	113.8915	3.968	2
984	490	790	0:SP-NON_SP-NON_SP3	Ga	C	Cl	3:3:4:1:	4:1:1:1:	4:	O[5]-3:N-3:C-4:Cl-1:	Ga-4:H-1:H-1:H-1:	Ga-4:	Ga(O[5]Ga[5]C[5])(NSi2)(CH3)(Cl)	C(GaO[5]ClN)(H)3	Cl(GaO[5]CN)	Ga(O[5]Ga[5]C[5])(NSi2)(CH3)(Cl)	C(GaO[5]ClN)(H)3	Cl(GaO[5]CN)	105.5700	0.000	1	105.5700	0.000	1	105.5700	0.000	1	105.5700	0.000	1	109.1650	28.414	22	109.1650	28.414	22
984	490	790	0:SP-NON_SP-NON_SP3	Ga	C	Cl	3:4:1:1:	4:1:1:1:	4:	N-3:C-4:Cl-1:Cl-1:	Ga-4:H-1:H-1:H-1:	Ga-4:	Ga(NC[6a]C)(CH3)(Cl)2	C(GaCl2N)(H)3	Cl(GaClCN)	Ga(NC[6a]C)(CH3)(Cl)2	C(GaCl2N)(H)3	Cl(GaClCN)	118.4340	0.714	2	118.4340	0.510	2	118.4340	0.510	2	118.4340	0.510	2	109.1650	28.414	22	109.1650	28.414	22
984	490	790	0:SP-NON_SP-NON_SP3	Ga	C	Cl	3:4:4:1:	4:1:1:1:	4:	N-3:C-4:C-4:Cl-1:	Ga-4:H-1:H-1:H-1:	Ga-4:	Ga(NC[6a]C)(CH3)2(Cl)	C(GaClCN)(H)3	Cl(GaCCN)	Ga(NC[6a]C)(CH3)2(Cl)	C(GaClCN)(H)3	Cl(GaCCN)	111.7855	0.941	2	111.7855	0.886	2	111.7855	0.886	2	111.7855	0.886	2	109.1650	28.414	22	109.1650	28.414	22
984	490	790	0:SP-NON_SP-NON_SP3	Ga	C	Cl	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:Cl-1:Cl-1:	C[5]-3:Ga-4:H-1:H-1:	Ga-4:	Ga(CC[5]HH)2(Cl)2	C(C[5]N[5]2)(GaCl2C)(H)2	Cl(GaClCC)	Ga(CC[5]HH)2(Cl)2	C(C[5]N[5]2)(GaCl2C)(H)2	Cl(GaClCC)	107.9540	0.307	2	107.9540	0.094	2	107.9540	0.094	2	107.9540	0.094	2	109.1650	28.414	22	109.1650	28.414	22
984	490	790	0:SP-NON_SP-NON_SP3	Ga	C	Cl	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:Cl-1:Cl-1:	Ga-4:H-1:H-1:H-1:	Ga-4:	Ga(CH3)2(Cl)2	C(GaCl2C)(H)3	Cl(GaClCC)	Ga(CH3)2(Cl)2	C(GaCl2C)(H)3	Cl(GaClCC)	108.0699	3.064	8	108.0699	9.388	8	108.0699	9.388	8	108.0699	9.388	8	109.1650	28.414	22	109.1650	28.414	22
984	490	790	0:SP-NON_SP-NON_SP3	Ga	C	Cl	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:Cl-1:Cl-1:	Ga-4:C-4:H-1:H-1:	Ga-4:	Ga(PC[6a]2C)(CCHH)(Cl)2	C(GaCl2P)(CCHH)(H)2	Cl(GaClCP)	Ga(PC[6a]2C)(CCHH)(Cl)2	C(GaCl2P)(CCHH)(H)2	Cl(GaClCP)	114.5335	1.480	2	114.5335	2.190	2	114.5335	2.190	2	114.5335	2.190	2	109.1650	28.414	22	109.1650	28.414	22
984	490	790	0:SP-NON_SP-NON_SP3	Ga	C	Cl	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:O-2:Cl-1:	Ga-4:H-1:H-1:H-1:	Ga-4:	Ga(CH3)2(OC)(Cl)	C(GaClCO)(H)3	Cl(GaCCO)	Ga(CH3)2(OC)(Cl)	C(GaClCO)(H)3	Cl(GaCCO)	109.2100	1.739	2	109.2100	3.026	2	109.2100	3.026	2	109.2100	3.026	2	109.1650	28.414	22	109.1650	28.414	22
984	490	790	0:SP-NON_SP-NON_SP3	Ga	C	Cl	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:Cl-1:	Ga-4:N-4:H-1:H-1:	Ga-4:	Ga(CHHN)(CC3)2(Cl)	C(GaClCC)(NCCH)(H)2	Cl(GaC3)	Ga(CHHN)(CC3)2(Cl)	C(GaClCC)(NCCH)(H)2	Cl(GaC3)	93.4682	0.000	1	93.4682	0.000	1	93.4682	0.000	1	93.4682	0.000	1	109.1650	28.414	22	109.1650	28.414	22
984	490	790	0:SP-NON_SP-NON_SP3	Ga	C	Cl	4:4:4:1:	4:4:4:4:	4:	C-4:C-4:C-4:Cl-1:	Ga-4:C-4:C-4:C-4:	Ga-4:	Ga(CHHN)(CC3)2(Cl)	C(GaClCC)(CH3)3	Cl(GaC3)	Ga(CHHN)(CC3)2(Cl)	C(GaClCC)(CH3)3	Cl(GaC3)	107.0990	0.832	2	107.0990	0.691	2	107.0990	0.691	2	107.0990	0.691	2	109.1650	28.414	22	109.1650	28.414	22
984	490	818	0:SP-NON_SP2_SP3	Ga	C	C[5]	3:2:4:4:	4:1:1:1:	3:3:4:	C[5]-3:O-2:C-4:C-4:	Ga-4:H-1:H-1:H-1:	N[5]-3:N[5]-3:Ga-4:	Ga(C[5]N[5]2)(OC[6a])(CH3)2	C(GaC[5]CO)(H)3	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(GaCCO)	Ga(C[5]N[5]2)(OC[6a])(CH3)2	C(GaC[5]CO)(H)3	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(GaCCO){2|C<3>,4|H<1>}	110.5293	3.426	4	110.5293	11.736	4	110.5293	11.736	4	110.5293	11.736	4	107.3344	13.442	45	107.3344	13.442	45
984	490	818	0:SP-NON_SP2_SP3	Ga	C	C[5]	3:3:4:4:	4:1:1:1:	3:3:4:	C[5]-3:O-3:C-4:C-4:	Ga-4:H-1:H-1:H-1:	N[5]-3:N[5]-3:Ga-4:	Ga(C[5]N[5]2)(OGaC)(CH3)2	C(GaC[5]CO)(H)3	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(GaCCO)	Ga(C[5]N[5]2)(OGaC)(CH3)2	C(GaC[5]CO)(H)3	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(GaCCO){2|C<3>,4|H<1>}	110.5845	3.894	2	110.5845	15.164	2	110.5845	15.164	2	110.5845	15.164	2	107.3344	13.442	45	107.3344	13.442	45
984	490	818	0:SP-NON_SP2_SP3	Ga	C	C[5]	3:3:4:4:	4:4:4:4:	3:3:4:	C[5]-3:P-3:C-4:C-4:	Ga-4:C-4:C-4:C-4:	N[5]-3:C[5]-3:Ga-4:	Ga(C[5]C[5]N[5])(PSiH)(CC3)2	C(GaC[5]CP)(CH3)3	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(GaCCP)	Ga(C[5]C[5]N[5])(PSiH)(CC3)2	C(GaC[5]CP)(CH3)3	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(GaCCP){1|H<1>,3|C<3>}	103.5355	3.096	2	103.5355	9.588	2	103.5355	9.588	2	103.5355	9.588	2	107.3344	13.442	45	107.3344	13.442	45
984	490	818	0:SP-NON_SP2_SP3	Ga	C	C[5]	3:4:4:2:	4:1:1:1:	3:3:4:	C[5]-3:C-4:C-4:O-2:	Ga-4:H-1:H-1:H-1:	N[5]-3:N[5]-3:Ga-4:	Ga(C[5]N[5]2)(CH3)2(OC)	C(GaC[5]CO)(H)3	C[5](N[5]C[6a]C[5])2(GaCCO)	Ga(C[5]N[5]2)(CH3)2(OC)	C(GaC[5]CO)(H)3	C[5](N[5]C[6a]C[5])2(GaCCO){4|C<3>,4|H<1>}	110.2763	2.107	4	110.2763	4.440	4	110.2763	4.440	4	110.2763	4.440	4	107.3344	13.442	45	107.3344	13.442	45
984	490	818	0:SP-NON_SP2_SP3	Ga	C	C[5]	3:4:4:4:	4:1:1:1:	3:3:4:	C[5]-3:C-4:C-4:C-4:	Ga-4:H-1:H-1:H-1:	N[5]-3:N[5]-3:Ga-4:	Ga(C[5]N[5]2)(CH3)3	C(GaC[5]CC)(H)3	C[5](N[5]C[6a]C[5])2(GaC3)	Ga(C[5]N[5]2)(CH3)3	C(GaC[5]CC)(H)3	C[5](N[5]C[6a]C[5])2(GaC3){2|H<1>,4|C<3>}	106.7247	3.509	6	106.6812	12.177	30	106.6812	12.177	30	106.6812	12.177	30	107.3344	13.442	45	107.3344	13.442	45
984	490	818	0:SP-NON_SP2_SP3	Ga	C	C[5]	3:4:4:4:	4:1:1:1:	3:3:4:	C[5]-3:C-4:C-4:C-4:	Ga-4:H-1:H-1:H-1:	N[5]-3:N[5]-3:Ga-4:	Ga(C[5]N[5]2)(CH3)3	C(GaC[5]CC)(H)3	C[5](N[5]C[6a]C[5])2(GaC3)	Ga(C[5]N[5]2)(CH3)3	C(GaC[5]CC)(H)3	C[5](N[5]C[6a]C[5])2(GaC3){4|C<3>,4|H<1>}	106.6703	3.560	24	106.6812	12.177	30	106.6812	12.177	30	106.6812	12.177	30	107.3344	13.442	45	107.3344	13.442	45
984	490	818	0:SP-NON_SP2_SP3	Ga	C	C[5]	3:4:4:4:	4:4:1:1:	3:3:4:	C[5]-3:C-4:C-4:C-4:	Ga-4:Si-4:H-1:H-1:	N[5]-3:C[5]-3:Ga-4:	Ga(C[5]C[5]N[5])(CSiHH)3	C(GaC[5]CC)(SiC3)(H)2	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(GaC3)	Ga(C[5]C[5]N[5])(CSiHH)3	C(GaC[5]CC)(SiC3)(H)2	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(GaC3){1|H<1>,3|C<3>}	106.0497	3.305	3	106.0497	10.921	3	106.0497	10.921	3	106.0497	10.921	3	107.3344	13.442	45	107.3344	13.442	45
984	490	856	0:SP-NON_SP2_SP3	Ga	C	N[6]	3:4:4:2:	4:1:1:1:	3:3:4:	N[6]-3:C-4:C-4:O-2:	Ga-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:Ga-4:	Ga(N[6]C[6]2)(CH3)2(OC)	C(GaN[6]CO)(H)3	N[6](C[6]C[6]H)2(GaCCO)	Ga(N[6]C[6]2)(CH3)2(OC)	C(GaN[6]CO)(H)3	N[6](C[6]C[6]H)2(GaCCO){1|C<3>,2|H<1>}	103.8560	2.475	2	103.8560	6.125	2	103.8560	6.125	2	103.8560	6.125	2	105.2890	27.168	4	105.2890	27.168	4
984	490	856	0:SP-NON_SP2_SP3	Ga	C	N[6]	3:4:4:2:	4:4:1:1:	3:3:4:	N[6]-3:C-4:C-4:C-2:	Ga-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:Ga-4:	Ga(N[6]C[6]2)(CCHH)2(CC)	C(GaN[6]CC)(CH3)(H)2	N[6](C[6]C[6]C)2(GaC3)	Ga(N[6]C[6]2)(CCHH)2(CC)	C(GaN[6]CC)(CH3)(H)2	N[6](C[6]C[6]C)2(GaC3){1|C<3>,2|H<1>}	106.7220	8.195	2	106.7220	67.164	2	106.7220	67.164	2	106.7220	67.164	2	105.2890	27.168	4	105.2890	27.168	4
984	490	871	0:SP-NON_SP3_SP3	Ga	C	O	3:3:4:4:	4:1:1:1:	4:4:4:	C[5]-3:O-3:C-4:C-4:	Ga-4:H-1:H-1:H-1:	Ga-4:C-4:Ga-4:	Ga(C[5]N[5]2)(OGaC)(CH3)2	C(GaC[5]CO)(H)3	O(GaC[5]CC)(CCHH)(GaC3)	Ga(C[5]N[5]2)(OGaC)(CH3)2	C(GaC[5]CO)(H)3	O(GaC[5]CC)(CCHH)(GaC3)	107.3090	0.877	2	107.3090	0.769	2	107.3090	0.769	2	107.3090	0.769	2	104.6420	7.234	5	104.6420	7.234	5
984	490	871	0:SP-NON_SP3_SP3	Ga	C	O	3:4:4:4:	4:1:1:1:	4:4:4:	O-3:C-4:C-4:C-4:	Ga-4:H-1:H-1:H-1:	Ga-4:C-4:Ga-4:	Ga(OGaC)(CH3)3	C(GaCCO)(H)3	O(GaC[5]CC)(CCHH)(GaC3)	Ga(OGaC)(CH3)3	C(GaCCO)(H)3	O(GaC[5]CC)(CCHH)(GaC3)	102.8640	1.493	3	102.8640	2.228	3	102.8640	2.228	3	102.8640	2.228	3	104.6420	7.234	5	104.6420	7.234	5
984	490	893	0:SP-NON_SP2_SP3	Ga	C	O	3:2:4:4:	4:1:1:1:	3:4:	C[5]-3:O-2:C-4:C-4:	Ga-4:H-1:H-1:H-1:	C[6a]-3:Ga-4:	Ga(C[5]N[5]2)(OC[6a])(CH3)2	C(GaC[5]CO)(H)3	O(C[6a]C[6a]2)(GaC[5]CC)	Ga(C[5]N[5]2)(OC[6a])(CH3)2	C(GaC[5]CO)(H)3	O(C[6a]C[6a]2)(GaC[5]CC)	105.7790	1.915	4	105.7790	3.667	4	105.7790	3.667	4	105.7790	3.667	4	106.1513	16.952	18	106.1513	16.952	18
984	490	893	0:SP-NON_SP2_SP3	Ga	C	O	3:4:4:2:	4:1:1:1:	4:3:	N[6]-3:C-4:C-4:O-2:	Ga-4:H-1:H-1:H-1:	Ga-4:C-3:	Ga(N[6]C[6]2)(CH3)2(OC)	C(GaN[6]CO)(H)3	O(GaN[6]CC)(CC[6a]O)	Ga(N[6]C[6]2)(CH3)2(OC)	C(GaN[6]CO)(H)3	O(GaN[6]CC)(CC[6a]O)	111.9535	1.924	2	111.9535	3.702	2	111.9535	3.702	2	111.9535	3.702	2	106.1513	16.952	18	106.1513	16.952	18
984	490	893	0:SP-NON_SP2_SP3	Ga	C	O	4:2:1:1:	4:4:3:3:	4:3:	C-4:O-2:I-1:I-1:	Ga-4:Si-4:Ga-3:C-3:	Ga-4:C-3:	Ga(CGaSiC)(OC)(I)2	C(GaIIO)(SiC3)(GaII)(CCC)	O(GaCII)(CCC)	Ga(CGaSiC)(OC)(I)2	C(GaIIO)(SiC3)(GaII)(CCC)	O(GaCII)(CCC)	98.6808	0.000	2	98.6808	0.000	2	98.6808	0.000	2	98.6808	0.000	2	106.1513	16.952	18	106.1513	16.952	18
984	490	893	0:SP-NON_SP2_SP3	Ga	C	O	4:4:2:1:	4:1:1:1:	4:3:	C-4:C-4:O-2:Cl-1:	Ga-4:H-1:H-1:H-1:	Ga-4:C-3:	Ga(CH3)2(OC)(Cl)	C(GaClCO)(H)3	O(GaClCC)(CCC)	Ga(CH3)2(OC)(Cl)	C(GaClCO)(H)3	O(GaClCC)(CCC)	107.6275	2.405	2	107.6275	5.783	2	107.6275	5.783	2	107.6275	5.783	2	106.1513	16.952	18	106.1513	16.952	18
984	490	893	0:SP-NON_SP2_SP3	Ga	C	O	4:4:2:2:	4:1:1:1:	3:4:	C-4:C-4:O-2:O-2:	Ga-4:H-1:H-1:H-1:	C-3:Ga-4:	Ga(CH3)2(OC)2	C(GaCOO)(H)3	O(CC[6a]O)(GaCCO)	Ga(CH3)2(OC)2	C(GaCOO)(H)3	O(CC[6a]O)(GaCCO)	106.3855	3.452	8	106.3855	11.914	8	106.3855	11.914	8	106.3855	11.914	8	106.1513	16.952	18	106.1513	16.952	18
984	490	893	0:SP-NON_SP3_SP3	Ga	C	O	2:4:4:2:	4:4:4:4:	4:4:	O-2:C-4:C-4:O-2:	Ga-4:C-4:C-4:C-4:	Ga-4:N-4:	Ga(ON[6])(CC3)2(ON)	C(GaCOO)(CH3)3	O(GaCCO)(NCCH)	Ga(ON[6])(CC3)2(ON)	C(GaCOO)(CH3)3	O(GaCCO)(NCCH)	103.6545	1.262	2	103.6545	1.593	2	103.6545	1.593	2	109.5127	60.439	4	108.9184	18.396	20	108.9184	18.396	20
984	490	893	0:SP-NON_SP3_SP3	Ga	C	O	2:4:4:2:	4:4:4:4:	4:4:	O-2:C-4:C-4:O-2:	Ga-4:C-4:C-4:C-4:	N[6]-4:Ga-4:	Ga(ON[6])(CC3)2(ON)	C(GaCOO)(CH3)3	O(N[6]Ga[6]C[6]C)(GaCCO)	Ga(ON[6])(CC3)2(ON)	C(GaCOO)(CH3)3	O(N[6]Ga[6]C[6]C)(GaCCO)	115.3710	6.515	2	115.3710	42.449	2	115.3710	42.449	2	109.5127	60.439	4	108.9184	18.396	20	108.9184	18.396	20
984	490	893	0:SP-NON_SP3_SP3	Ga	C	O	3:4:4:2:	4:1:1:1:	4:4:	C[5]-3:C-4:C-4:O-2:	Ga-4:H-1:H-1:H-1:	Ga-4:C-4:	Ga(C[5]N[5]2)(CH3)2(OC)	C(GaC[5]CO)(H)3	O(GaC[5]CC)(CCHH)	Ga(C[5]N[5]2)(CH3)2(OC)	C(GaC[5]CO)(H)3	O(GaC[5]CC)(CCHH)	108.8370	0.103	2	108.8370	0.011	2	109.1482	6.332	4	110.8221	8.939	8	108.9184	18.396	20	108.9184	18.396	20
984	490	893	0:SP-NON_SP3_SP3	Ga	C	O	3:4:4:2:	4:1:1:1:	4:4:	C[5]-3:C-4:C-4:O-2:	Ga-4:H-1:H-1:H-1:	Ga-4:C-4:	Ga(C[5]N[5]2)(CH3)2(OC)	C(GaC[5]CO)(H)3	O(GaC[5]CC)(CH3)	Ga(C[5]N[5]2)(CH3)2(OC)	C(GaC[5]CO)(H)3	O(GaC[5]CC)(CH3)	109.4595	4.313	2	109.4595	18.599	2	109.1482	6.332	4	110.8221	8.939	8	108.9184	18.396	20	108.9184	18.396	20
984	490	893	0:SP-NON_SP3_SP3	Ga	C	O	3:4:4:2:	4:1:1:1:	4:4:	C[6]-3:C-4:C-4:O-2:	Ga-4:H-1:H-1:H-1:	C-4:Ga-4:	Ga(C[6]N[6]2)(CH3)2(OC)	C(GaC[6]CO)(H)3	O(CC[6a]2C)(GaC[6]CC)	Ga(C[6]N[6]2)(CH3)2(OC)	C(GaC[6]CO)(H)3	O(CC[6a]2C)(GaC[6]CC)	114.0640	3.302	2	114.0640	10.904	2	114.0640	10.904	2	110.8221	8.939	8	108.9184	18.396	20	108.9184	18.396	20
984	490	893	0:SP-NON_SP3_SP3	Ga	C	O	3:4:4:2:	4:1:1:1:	4:4:	O-3:C-4:C-4:O-2:	Ga-4:H-1:H-1:H-1:	Ga-4:Si-4:	Ga(OAlH)(CH3)2(OSi)	C(GaCOO)(H)3	O(GaCCO)(SiO3)	Ga(OAlH)(CH3)2(OSi)	C(GaCOO)(H)3	O(GaCCO)(SiO3)	110.9280	0.651	2	110.9280	0.423	2	110.9280	0.423	2	110.8221	8.939	8	108.9184	18.396	20	108.9184	18.396	20
984	490	893	0:SP-NON_SP3_SP3	Ga	C	O	4:4:2:2:	4:4:1:1:	4:4:	C-4:C-4:O-2:O-2:	Ga-4:C-4:H-1:H-1:	P-4:Ga-4:	Ga(CCHH)2(OP)2	C(GaCOO)(CH3)(H)2	O(PC[6a]2O)(GaCCO)	Ga(CCHH)2(OP)2	C(GaCOO)(CH3)(H)2	O(PC[6a]2O)(GaCCO)	106.7175	2.282	8	106.7175	5.210	8	106.7175	5.210	8	106.7175	5.210	8	108.9184	18.396	20	108.9184	18.396	20
984	490	909	0:SP-NON_SP2_SP3	Ga	C	S	2:2:2:4:	4:1:1:1:	3:4:	S-2:S-2:S-2:C-4:	Ga-4:H-1:H-1:H-1:	C[6a]-3:Ga-4:	Ga(SC[6a])3(CH3)	C(GaS3)(H)3	S(C[6a]C[6a]2)(GaCSS)	Ga(SC[6a])3(CH3)	C(GaS3)(H)3	S(C[6a]C[6a]2)(GaCSS)	114.7687	1.877	3	114.7687	3.523	3	114.7687	3.523	3	114.7687	3.523	3	110.9540	34.059	8	110.9540	34.059	8
984	490	909	0:SP-NON_SP2_SP3	Ga	C	S	2:2:4:4:	4:1:1:1:	3:4:	S-2:S-2:C-4:C-4:	Ga-4:H-1:H-1:H-1:	C[6a]-3:Ga-4:	Ga(SC[6a])2(CH3)2	C(GaCSS)(H)3	S(C[6a]C[6a]2)(GaCCS)	Ga(SC[6a])2(CH3)2	C(GaCSS)(H)3	S(C[6a]C[6a]2)(GaCCS)	106.4090	4.461	4	106.4090	19.903	4	106.4090	19.903	4	106.4090	19.903	4	110.9540	34.059	8	110.9540	34.059	8
984	490	909	0:SP-NON_SP2_SP3	Ga	C	S	2:3:3:4:	4:1:1:1:	3:4:	S-2:S-3:S-3:C-4:	Ga-4:H-1:H-1:H-1:	C[6a]-3:Ga-4:	Ga(SC[6a])(SCuC)2(CH3)	C(GaS3)(H)3	S(C[6a]C[6a]2)(GaCSS)	Ga(SC[6a])(SCuC)2(CH3)	C(GaS3)(H)3	S(C[6a]C[6a]2)(GaCSS)	117.6900	0.000	1	117.6900	0.000	1	117.6900	0.000	1	117.6900	0.000	1	110.9540	34.059	8	110.9540	34.059	8
984	490	916	0:SP-NON_SP3_SP3	Ga	C	O[5]	3:3:4:1:	4:1:1:1:	4:4:4:	O[5]-3:N-3:C-4:Cl-1:	Ga-4:H-1:H-1:H-1:	Ga[5]-4:C[5]-4:Ga-4:	Ga(O[5]Ga[5]C[5])(NSi2)(CH3)(Cl)	C(GaO[5]ClN)(H)3	O[5](Ga[5]N[5]ClC)(C[5]C[5]HH)(GaClCN)	Ga(O[5]Ga[5]C[5])(NSi2)(CH3)(Cl)	C(GaO[5]ClN)(H)3	O[5](Ga[5]N[5]ClC)(C[5]C[5]HH)(GaClCN){2|C<4>,2|H<1>}	103.0670	0.000	1	103.0670	0.000	1	103.0670	0.000	1	103.0670	0.000	1	98.9767	5.702	5	98.9767	5.702	5
984	490	916	0:SP-NON_SP3_SP3	Ga	C	O[5]	3:3:4:4:	4:1:1:1:	4:4:4:	B[5a]-3:O[5]-3:C-4:C-4:	Ga-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:Ga-4:	Ga(B[5a]N[5a]2)(O[5]C[5]2)(CH3)2	C(GaB[5a]O[5]C)(H)3	O[5](C[5]C[5]HH)2(GaB[5a]CC)	Ga(B[5a]N[5a]2)(O[5]C[5]2)(CH3)2	C(GaB[5a]O[5]C)(H)3	O[5](C[5]C[5]HH)2(GaB[5a]CC){4|H<1>}	97.2971	0.117	2	97.2971	0.014	2	97.2971	0.014	2	97.2971	0.014	2	98.9767	5.702	5	98.9767	5.702	5
984	490	916	0:SP-NON_SP3_SP3	Ga	C	O[5]	3:5:4:4:	4:1:1:1:	4:4:4:	O[5]-3:B-5:C-4:C-4:	Ga-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:Ga-4:	Ga(O[5]C[5]2)(BH4)(CH3)2	C(GaO[5]BC)(H)3	O[5](C[5]C[5]HH)2(GaBCC)	Ga(O[5]C[5]2)(BH4)(CH3)2	C(GaO[5]BC)(H)3	O[5](C[5]C[5]HH)2(GaBCC){4|H<1>}	98.6112	0.392	2	98.6112	0.154	2	98.6112	0.154	2	98.6112	0.154	2	98.9767	5.702	5	98.9767	5.702	5
984	490	921	0:SP-NON_SP3_SP3	Ga	C	Se	2:2:4:4:	4:1:1:1:	3:4:	Se-2:Se-2:C-4:C-4:	Ga-4:H-1:H-1:H-1:	C[6a]-3:Ga-4:	Ga(SeC[6a])2(CH3)2	C(GaSe2C)(H)3	Se(C[6a]C[6a]2)(GaSeCC)	Ga(SeC[6a])2(CH3)2	C(GaSe2C)(H)3	Se(C[6a]C[6a]2)(GaSeCC)	105.8075	5.340	4	105.8075	28.518	4	105.8075	28.518	4	105.8075	28.518	4	105.8075	28.518	4	105.8075	28.518	4
984	490	930	0:SP-NON_SP2_SP3	Ga	C	C	4:4:4:3:	4:1:1:1:	4:4:4:	C-4:C-4:C-4:C-3:	Ga-4:H-1:H-1:H-1:	P-4:P-4:Ga-4:	Ga(CH3)3(CPP)	C(GaC3)(H)3	C(PC[6a]3)2(GaC3)	Ga(CH3)3(CPP)	C(GaC3)(H)3	C(PC[6a]3)2(GaC3)	108.9527	1.753	3	108.9527	3.072	3	108.9527	3.072	3	108.9527	3.072	3	108.9527	3.072	3	108.9527	3.072	3
984	490	944	0:SP-NON_SP-NON_SP3	Ga	C	I	4:2:1:1:	4:4:3:3:	4:	C-4:O-2:I-1:I-1:	Ga-4:Si-4:Ga-3:C-3:	Ga-4:	Ga(CGaSiC)(OC)(I)2	C(GaIIO)(SiC3)(GaII)(CCC)	I(GaCIO)	Ga(CGaSiC)(OC)(I)2	C(GaIIO)(SiC3)(GaII)(CCC)	I(GaCIO)	121.0130	3.015	4	121.0130	9.090	4	121.0130	9.090	4	121.0130	9.090	4	121.0130	9.090	4	121.0130	9.090	4
984	490	945	0:SP-NON_SP3_SP3	Ga	C	P	3:3:4:4:	4:4:4:4:	4:4:1:	C[5]-3:P-3:C-4:C-4:	Ga-4:C-4:C-4:C-4:	Si-4:Ga-4:H-1:	Ga(C[5]C[5]N[5])(PSiH)(CC3)2	C(GaC[5]CP)(CH3)3	P(SiC[6a]CC)(GaC[5]CC)(H)	Ga(C[5]C[5]N[5])(PSiH)(CC3)2	C(GaC[5]CP)(CH3)3	P(SiC[6a]CC)(GaC[5]CC)(H)	114.0990	2.099	2	114.0990	4.405	2	114.0990	4.405	2	114.0990	4.405	2	114.0990	4.405	2	114.0990	4.405	2
984	490	956	0:SP-NON_SP2_SP3	Ga	C	N	3:3:3:4:	4:1:1:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:C-4:	Ga-4:H-1:H-1:H-1:	C[6,6]-3:Ga-4:N[6]-3:	Ga(C[6a]C[6a]2)2(NC[6,6]N[6])(CH3)	C(GaC[6a]2N)(H)3	N(C[6,6]C[3x6]2)(GaC[6a]2C)(N[6]C[6]2)	Ga(C[6a]C[6a]2)2(NC[6,6]N[6])(CH3)	C(GaC[6a]2N)(H)3	N(C[6,6]C[3x6]2)(GaC[6a]2C)(N[6]C[6]2)	115.6460	0.000	1	115.6460	0.000	1	115.6460	0.000	1	115.6460	0.000	1	107.8760	32.413	4	107.8760	32.413	4
984	490	956	0:SP-NON_SP2_SP3	Ga	C	N	3:4:1:1:	4:1:1:1:	3:4:3:	N-3:C-4:Cl-1:Cl-1:	Ga-4:H-1:H-1:H-1:	C[6a]-3:Ga-4:C-3:	Ga(NC[6a]C)(CH3)(Cl)2	C(GaCl2N)(H)3	N(C[6a]C[6a]2)(GaCl2C)(CCH)	Ga(NC[6a]C)(CH3)(Cl)2	C(GaCl2N)(H)3	N(C[6a]C[6a]2)(GaCl2C)(CCH)	107.7950	0.000	1	107.7950	0.000	1	107.7950	0.000	1	107.7950	0.000	1	107.8760	32.413	4	107.8760	32.413	4
984	490	956	0:SP-NON_SP2_SP3	Ga	C	N	3:4:4:1:	4:1:1:1:	3:4:3:	N-3:C-4:C-4:Cl-1:	Ga-4:H-1:H-1:H-1:	C[6a]-3:Ga-4:C-3:	Ga(NC[6a]C)(CH3)2(Cl)	C(GaClCN)(H)3	N(C[6a]C[6a]2)(GaClCC)(CCH)	Ga(NC[6a]C)(CH3)2(Cl)	C(GaClCN)(H)3	N(C[6a]C[6a]2)(GaClCC)(CCH)	104.0315	2.702	2	104.0315	7.300	2	104.0315	7.300	2	104.0315	7.300	2	107.8760	32.413	4	107.8760	32.413	4
984	490	956	0:SP-NON_SP3_SP3	Ga	C	N	3:3:4:1:	4:1:1:1:	4:4:4:	O[5]-3:N-3:C-4:Cl-1:	Ga-4:H-1:H-1:H-1:	Ga-4:Si-4:Si-4:	Ga(O[5]Ga[5]C[5])(NSi2)(CH3)(Cl)	C(GaO[5]ClN)(H)3	N(GaO[5]ClC)(SiC3)2	Ga(O[5]Ga[5]C[5])(NSi2)(CH3)(Cl)	C(GaO[5]ClN)(H)3	N(GaO[5]ClC)(SiC3)2	125.6840	0.000	1	125.6840	0.000	1	125.6840	0.000	1	125.6840	0.000	1	125.6840	0.000	1	125.6840	0.000	1
984	490	983	0:SP-NON_SP1_SP3	Ga	C	C	3:4:4:2:	4:4:1:1:	4:2:	N[6]-3:C-4:C-4:C-2:	Ga-4:C-4:H-1:H-1:	Ga-4:C-2:	Ga(N[6]C[6]2)(CCHH)2(CC)	C(GaN[6]CC)(CH3)(H)2	C(GaN[6]CC)(CC[6a])	Ga(N[6]C[6]2)(CCHH)2(CC)	C(GaN[6]CC)(CH3)(H)2	C(GaN[6]CC)(CC[6a])	106.4702	9.608	2	106.4702	92.311	2	106.4702	92.311	2	106.4702	92.311	2	101.5146	18.255	10	101.5146	18.255	10
984	490	983	0:SP-NON_SP1_SP3	Ga	C	C	4:4:4:2:	4:4:4:4:	2:4:	C-4:C-4:C-4:C-2:	Ga-4:C-4:C-4:C-4:	N-2:Ga-4:	Ga(CC3)3(CN)	C(GaC3)(CH3)3	C(NC[6a])(GaC3)	Ga(CC3)3(CN)	C(GaC3)(CH3)3	C(NC[6a])(GaC3)	99.8270	1.271	3	99.8270	1.615	3	99.8270	1.615	3	99.8270	1.615	3	101.5146	18.255	10	101.5146	18.255	10
984	490	983	0:SP-NON_SP1_SP3	Ga	C	C	4:4:4:2:	4:4:4:4:	4:2:	C-4:C-4:C-4:C-2:	Ga-4:C-4:C-4:C-4:	Ga-4:N-2:	Ga(CC3)3(CN)	C(GaC3)(CH3)3	C(GaC3)(NC)	Ga(CC3)3(CN)	C(GaC3)(CH3)3	C(GaC3)(NC)	100.5449	1.264	5	100.5449	1.597	5	100.5449	1.597	5	100.5449	1.597	5	101.5146	18.255	10	101.5146	18.255	10
984	490	992	0:SP-NON_SP3_SP3	Ga	C	P	4:4:1:1:	4:4:1:1:	3:3:4:4:	P-4:C-4:Cl-1:Cl-1:	Ga-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:Ga-4:C-4:	Ga(PC[6a]2C)(CCHH)(Cl)2	C(GaCl2P)(CCHH)(H)2	P(C[6a]C[6a]2)2(GaCl2C)(CCHH)	Ga(PC[6a]2C)(CCHH)(Cl)2	C(GaCl2P)(CCHH)(H)2	P(C[6a]C[6a]2)2(GaCl2C)(CCHH)	115.2160	0.000	1	115.2160	0.000	1	115.2160	0.000	1	115.2160	0.000	1	115.2160	0.000	1	115.2160	0.000	1
984	542	542	0:SP-NON_SP2_SP2	Ga	N[5]	N[5]	3:3:4:4:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:C-4:C-4:	C[5,6a]-3:C[5]-3:Ga-4:	C[5,6a]-3:C[5]-3:Ga-4:	Ga(N[5]C[5,6a]C[5])2(CH3)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(GaN[5]CC)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(GaN[5]CC)	Ga(N[5]C[5,6a]C[5])2(CH3)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(GaN[5]CC){1|Ga<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(GaN[5]CC){1|Ga<4>,1|H<1>,2|C<3>}	100.5950	0.000	1	100.5950	0.000	1	97.8606	5.620	3	97.8606	5.620	3	97.8606	5.620	3	97.8606	5.620	3
984	542	542	0:SP-NON_SP2_SP2	Ga	N[5]	N[5]	3:3:4:4:	3:3:4:	3:3:4:	N[5]-3:N[5]-3:C-4:C-4:	C[5,6a]-3:C[5]-3:Ga-4:	C[5,6a]-3:C[5]-3:Ga-4:	Ga(N[5]C[5,6a]C[5])2(CH3)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(GaN[5]CC)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(GaN[5]CC)	Ga(N[5]C[5,6a]C[5])2(CH3)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(GaN[5]CC){1|Ga<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(GaN[5]CC){1|Ga<4>,1|H<1>,2|C<3>}	96.4934	0.156	2	96.4934	0.024	2	97.8606	5.620	3	97.8606	5.620	3	97.8606	5.620	3	97.8606	5.620	3
984	542	643	0:SP-NON_SP2_SP2	Ga	N[5]	C[6a]	3:3:3:3:	3:3:4:	4:3:3:	N[5]-3:C[6a]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:Ga-4:	Ga-4:C[6a]-3:C[6a]-3:	Ga(N[5]C[5]N[5])(C[6a]C[6a]2)3	N[5](N[5]C[5]Ga)(C[5]C[5]C)(GaC[6a]3)	C[6a](GaC[6a]2N[5])(C[6a]C[6a]H)2	Ga(N[5]C[5]N[5])(C[6a]C[6a]2)3	N[5](N[5]C[5]Ga)(C[5]C[5]C)(GaC[6a]3){1|C<4>,1|H<1>}	C[6a](GaC[6a]2N[5])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	105.8480	2.760	3	105.8480	7.617	3	105.8480	7.617	3	105.8480	7.617	3	105.8480	7.617	3	105.8480	7.617	3
984	610	909	0:SP-NON_SP2_SP3	Ga	B	S	4:2:2:2:	3:3:3:4:	3:4:	B-4:S-2:S-2:S-2:	C[6a]-3:C[6a]-3:C[6a]-3:Ga-4:	C[5]-3:Ga-4:	Ga(BC[6a]3)(SC[5])3	B(C[6a]C[6a]2)3(GaS3)	S(C[5]N[5]2)(GaBSS)	Ga(BC[6a]3)(SC[5])3	B(C[6a]C[6a]2)3(GaS3)	S(C[5]N[5]2)(GaBSS)	117.2302	1.096	5	117.2302	1.202	5	117.2302	1.202	5	117.2302	1.202	5	117.2302	1.202	5	117.2302	1.202	5
984	643	643	0:SP-NON_SP2_SP2	Ga	C[6a]	C[6a]	3:3:2:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:Cl-2:Cl-2:	C[4,6a]-3:C[6a]-3:Ga-4:	C[4,6a]-3:C[6a]-3:Ga-4:	Ga(C[6a]C[4,6a]C[6a])2(ClGa)2	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(GaC[6a]Cl2)	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(GaC[6a]Cl2)	Ga(C[6a]C[4,6a]C[6a])2(ClGa)2	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(GaC[6a]Cl2){1|H<1>,3|C<3>}	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(GaC[6a]Cl2){1|H<1>,3|C<3>}	128.7207	1.490	3	128.7207	2.220	3	128.7207	2.220	3	128.7207	2.220	3	113.1332	42.839	38	113.1332	42.839	38
984	643	643	0:SP-NON_SP2_SP2	Ga	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:F-2:	C[6a]-3:C[6a]-3:Ga-4:	C[6a]-3:C[6a]-3:Ga-4:	Ga(C[6a]C[6a]2)3(FGa)	C[6a](C[6a]C[6a]F)2(GaC[6a]2F)	C[6a](C[6a]C[6a]F)2(GaC[6a]2F)	Ga(C[6a]C[6a]2)3(FGa)	C[6a](C[6a]C[6a]F)2(GaC[6a]2F){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(GaC[6a]2F){1|C<3>,2|F<1>}	116.7227	1.780	6	116.7227	3.170	6	116.7227	3.170	6	117.2426	4.533	7	113.1332	42.839	38	113.1332	42.839	38
984	643	643	0:SP-NON_SP2_SP2	Ga	C[6a]	C[6a]	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:O-2:	C[6a]-3:C[6a]-3:Ga-4:	C[6a]-3:C[6a]-3:Ga-4:	Ga(C[6a]C[6a]2)2(NC[6a]C)(OC)	C[6a](C[6a]C[6a]F)2(GaC[6a]NO)	C[6a](C[6a]C[6a]F)2(GaC[6a]NO)	Ga(C[6a]C[6a]2)2(NC[6a]C)(OC)	C[6a](C[6a]C[6a]F)2(GaC[6a]NO){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(GaC[6a]NO){1|C<3>,2|F<1>}	120.3620	0.000	1	120.3620	0.000	1	120.3620	0.000	1	117.2426	4.533	7	113.1332	42.839	38	113.1332	42.839	38
984	643	643	0:SP-NON_SP2_SP2	Ga	C[6a]	C[6a]	3:3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Ga-4:	C[6a]-3:C[6a]-3:Ga-4:	Ga(C[6a]C[6a]2)4	C[6a](C[6a]C[6a]F)2(GaC[6a]3)	C[6a](C[6a]C[6a]F)2(GaC[6a]3)	Ga(C[6a]C[6a]2)4	C[6a](C[6a]C[6a]F)2(GaC[6a]3){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(GaC[6a]3){1|C<3>,2|F<1>}	109.5180	4.659	18	109.5180	21.706	18	109.5180	21.706	18	109.9120	19.492	21	113.1332	42.839	38	113.1332	42.839	38
984	643	643	0:SP-NON_SP2_SP2	Ga	C[6a]	C[6a]	3:3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:O-3:	C[6a]-3:C[6a]-3:Ga-4:	C[6a]-3:C[6a]-3:Ga-4:	Ga(C[6a]C[6a]2)3(OC[6a]Li)	C[6a](C[6a]C[6a]H)2(GaC[6a]2O)	C[6a](C[6a]C[6a]H)2(GaC[6a]2O)	Ga(C[6a]C[6a]2)3(OC[6a]Li)	C[6a](C[6a]C[6a]H)2(GaC[6a]2O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(GaC[6a]2O){1|C<3>,2|H<1>}	112.2757	0.803	3	112.2757	0.644	3	112.2757	0.644	3	109.9120	19.492	21	113.1332	42.839	38	113.1332	42.839	38
984	643	643	0:SP-NON_SP2_SP2	Ga	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:Ga[6]-3:	Ga-4:C[6a]-3:C[6a]-3:	Ga-4:C[6a]-3:C[6a]-3:	Ga(C[6a]C[6a]2)3(Ga[6]N[6]2)	C[6a](GaC[6a]2Ga[6])(C[6a]C[6a]F)2	C[6a](GaC[6a]2Ga[6])(C[6a]C[6a]F)2	Ga(C[6a]C[6a]2)3(Ga[6]N[6]2)	C[6a](GaC[6a]2Ga[6])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](GaC[6a]2Ga[6])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	110.6717	2.449	3	110.6717	5.999	3	110.6717	5.999	3	111.6755	17.013	6	113.1332	42.839	38	113.1332	42.839	38
984	643	643	0:SP-NON_SP2_SP2	Ga	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	N[5]-3:C[6a]-3:C[6a]-3:C[6a]-3:	Ga-4:C[6a]-3:C[6a]-3:	Ga-4:C[6a]-3:C[6a]-3:	Ga(N[5]C[5]N[5])(C[6a]C[6a]2)3	C[6a](GaC[6a]2N[5])(C[6a]C[6a]H)2	C[6a](GaC[6a]2N[5])(C[6a]C[6a]H)2	Ga(N[5]C[5]N[5])(C[6a]C[6a]2)3	C[6a](GaC[6a]2N[5])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](GaC[6a]2N[5])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	112.6793	5.789	3	112.6793	33.511	3	112.6793	33.511	3	111.6755	17.013	6	113.1332	42.839	38	113.1332	42.839	38
984	643	643	0:SP-NON_SP2_SP2	Ga	C[6a]	C[6a]	3:3:3:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:C-4:	C[6a]-3:C[6a]-3:Ga-4:	C[6a]-3:C[6a]-3:Ga-4:	Ga(C[6a]C[6a]2)2(NC[6,6]N[6])(CH3)	C[6a](C[6a]C[6a]F)2(GaC[6a]CN)	C[6a](C[6a]C[6a]F)2(GaC[6a]CN)	Ga(C[6a]C[6a]2)2(NC[6,6]N[6])(CH3)	C[6a](C[6a]C[6a]F)2(GaC[6a]CN){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(GaC[6a]CN){1|C<3>,2|F<1>}	113.9960	0.000	1	113.9960	0.000	1	113.9960	0.000	1	113.9960	0.000	1	113.1332	42.839	38	113.1332	42.839	38
984	643	790	0:SP-NON_SP-NON_SP2	Ga	C[6a]	Cl	3:1:1:1:	3:3:4:	4:	C[6a]-3:Cl-1:Cl-1:Cl-1:	C[6,6a]-3:C[6a]-3:Ga-4:	Ga-4:	Ga(C[6a]C[6,6a]C[6a])(Cl)3	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(GaCl3)	Cl(GaC[6a]Cl2)	Ga(C[6a]C[6,6a]C[6a])(Cl)3	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(GaCl3){2|H<1>,3|C<3>}	Cl(GaC[6a]Cl2)	111.1487	0.520	3	111.1487	0.271	3	111.1487	0.271	3	112.6077	11.225	6	112.2488	14.601	16	112.2488	14.601	16
984	643	790	0:SP-NON_SP-NON_SP2	Ga	C[6a]	Cl	3:1:1:1:	3:3:4:	4:	C[6a]-3:Cl-1:Cl-1:Cl-1:	C[6a,6a]-3:C[6a]-3:Ga-4:	Ga-4:	Ga(C[6a]C[6a,6a]C[6a])(Cl)3	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(GaCl3)	Cl(GaC[6a]Cl2)	Ga(C[6a]C[6a,6a]C[6a])(Cl)3	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(GaCl3){1|H<1>,3|C<3>}	Cl(GaC[6a]Cl2)	114.0667	4.627	3	114.0667	21.405	3	114.0667	21.405	3	112.6077	11.225	6	112.2488	14.601	16	112.2488	14.601	16
984	643	790	0:SP-NON_SP-NON_SP2	Ga	C[6a]	Cl	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[5]-3:Cl-1:Cl-1:	C[6a]-3:C[6a]-3:Ga-4:	Ga-4:	Ga(C[6a]C[6a]2)(C[5]N[5]2)(Cl)2	C[6a](C[6a]C[6a]C)2(GaC[5]Cl2)	Cl(GaC[6a]C[5]Cl)	Ga(C[6a]C[6a]2)(C[5]N[5]2)(Cl)2	C[6a](C[6a]C[6a]C)2(GaC[5]Cl2){1|C<3>,2|H<1>}	Cl(GaC[6a]C[5]Cl)	112.1770	3.801	4	112.1770	14.444	4	112.1770	14.444	4	113.0215	15.039	8	112.2488	14.601	16	112.2488	14.601	16
984	643	790	0:SP-NON_SP-NON_SP2	Ga	C[6a]	Cl	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:Cl-1:Cl-1:	C[6a,6a]-3:C[6a]-3:Ga-4:	Ga-4:	Ga(C[6a]C[6a,6a]C[6a])(N[6]C[6]2)(Cl)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(GaN[6]Cl2)	Cl(GaC[6a]N[6]Cl)	Ga(C[6a]C[6a,6a]C[6a])(N[6]C[6]2)(Cl)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(GaN[6]Cl2){1|H<1>,3|C<3>}	Cl(GaC[6a]N[6]Cl)	113.8660	4.330	4	113.8660	18.746	4	113.8660	18.746	4	113.0215	15.039	8	112.2488	14.601	16	112.2488	14.601	16
984	643	790	0:SP-NON_SP-NON_SP2	Ga	C[6a]	Cl	3:4:1:1:	3:3:4:	4:	C[6a]-3:C[5]-4:Cl-1:Cl-1:	C[6a]-3:C[6a]-3:Ga-4:	Ga-4:	Ga(C[6a]C[6a]2)(C[5]C[5]2C)(Cl)2	C[6a](C[6a]C[6a]F)2(GaC[5]Cl2)	Cl(GaC[6a]C[5]Cl)	Ga(C[6a]C[6a]2)(C[5]C[5]2C)(Cl)2	C[6a](C[6a]C[6a]F)2(GaC[5]Cl2){1|C<3>,2|F<1>}	Cl(GaC[6a]C[5]Cl)	108.0815	4.163	2	108.0815	17.328	2	108.0815	17.328	2	108.0815	17.328	2	112.2488	14.601	16	112.2488	14.601	16
984	643	818	0:SP-NON_SP2_SP2	Ga	C[6a]	C[5]	3:3:1:1:	3:3:4:	4:3:3:	C[6a]-3:C[5]-3:Cl-1:Cl-1:	C[6a]-3:C[6a]-3:Ga-4:	Ga-4:N[5]-3:N[5]-3:	Ga(C[6a]C[6a]2)(C[5]N[5]2)(Cl)2	C[6a](C[6a]C[6a]C)2(GaC[5]Cl2)	C[5](GaC[6a]Cl2)(N[5]C[5]C)2	Ga(C[6a]C[6a]2)(C[5]N[5]2)(Cl)2	C[6a](C[6a]C[6a]C)2(GaC[5]Cl2){1|C<3>,2|H<1>}	C[5](GaC[6a]Cl2)(N[5]C[5]C)2{2|C<4>}	119.2505	0.146	2	119.2505	0.021	2	119.2505	0.021	2	119.2505	0.021	2	119.2505	0.021	2	119.2505	0.021	2
984	643	856	0:SP-NON_SP2_SP2	Ga	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:3:3:	C[6a]-3:N[6]-3:Cl-1:Cl-1:	C[6a,6a]-3:C[6a]-3:Ga-4:	Ga-4:C[6]-3:C[6]-3:	Ga(C[6a]C[6a,6a]C[6a])(N[6]C[6]2)(Cl)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(GaN[6]Cl2)	N[6](GaC[6a]Cl2)(C[6]C[6]C)(C[6]C[6]H)	Ga(C[6a]C[6a,6a]C[6a])(N[6]C[6]2)(Cl)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(GaN[6]Cl2){1|H<1>,3|C<3>}	N[6](GaC[6a]Cl2)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,2|H<1>}	118.0300	0.000	1	118.0300	0.000	1	115.3385	14.488	2	115.3385	14.488	2	115.3385	14.488	2	115.3385	14.488	2
984	643	856	0:SP-NON_SP2_SP2	Ga	C[6a]	N[6]	3:3:1:1:	3:3:4:	4:3:3:	C[6a]-3:N[6]-3:Cl-1:Cl-1:	C[6a,6a]-3:C[6a]-3:Ga-4:	Ga-4:C[6]-3:C[6]-3:	Ga(C[6a]C[6a,6a]C[6a])(N[6]C[6]2)(Cl)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(GaN[6]Cl2)	N[6](GaC[6a]Cl2)(C[6]C[6]H)2	Ga(C[6a]C[6a,6a]C[6a])(N[6]C[6]2)(Cl)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(GaN[6]Cl2){1|H<1>,3|C<3>}	N[6](GaC[6a]Cl2)(C[6]C[6]H)2{1|C<3>,2|H<1>}	112.6470	0.000	1	112.6470	0.000	1	115.3385	14.488	2	115.3385	14.488	2	115.3385	14.488	2	115.3385	14.488	2
984	643	893	0:SP-NON_SP2_SP2	Ga	C[6a]	O	3:3:3:2:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:N-3:O-2:	C[6a]-3:C[6a]-3:Ga-4:	Ga-4:C-3:	Ga(C[6a]C[6a]2)2(NC[6a]C)(OC)	C[6a](C[6a]C[6a]F)2(GaC[6a]NO)	O(GaC[6a]2N)(CC[6a]N)	Ga(C[6a]C[6a]2)2(NC[6a]C)(OC)	C[6a](C[6a]C[6a]F)2(GaC[6a]NO){1|C<3>,2|F<1>}	O(GaC[6a]2N)(CC[6a]N)	106.6555	1.638	2	106.6555	2.684	2	106.6555	2.684	2	106.6555	2.684	2	106.6555	2.684	2	106.6555	2.684	2
984	643	900	0:SP-NON_SP-NON_SP2	Ga	C[6a]	Cl	3:3:2:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:Cl-2:Cl-2:	C[4,6a]-3:C[6a]-3:Ga-4:	Ga-4:Ga-4:	Ga(C[6a]C[4,6a]C[6a])2(ClGa)2	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(GaC[6a]Cl2)	Cl(GaC[6a]2Cl)2	Ga(C[6a]C[4,6a]C[6a])2(ClGa)2	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(GaC[6a]Cl2){1|H<1>,3|C<3>}	Cl(GaC[6a]2Cl)2	106.4055	3.160	8	106.4055	9.985	8	106.4055	9.985	8	106.4055	9.985	8	106.4055	9.985	8	106.4055	9.985	8
984	643	942	0:SP-NON_SP-NON_SP2	Ga	C[6a]	Ga[6]	3:3:3:3:	4:3:3:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:Ga[6]-3:	Ga-4:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:Ga-4:	Ga(C[6a]C[6a]2)3(Ga[6]N[6]2)	C[6a](GaC[6a]2Ga[6])(C[6a]C[6a]F)2	Ga[6](N[6]C[6a]C[6])2(GaC[6a]3)	Ga(C[6a]C[6a]2)3(Ga[6]N[6]2)	C[6a](GaC[6a]2Ga[6])(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	Ga[6](N[6]C[6a]C[6])2(GaC[6a]3){2|C<4>,5|C<3>}	108.2223	5.916	3	108.2223	34.996	3	108.2223	34.996	3	108.2223	34.996	3	108.2223	34.996	3	108.2223	34.996	3
984	643	956	0:SP-NON_SP2_SP2	Ga	C[6a]	N	3:3:3:2:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N-3:O-2:	C[6a]-3:C[6a]-3:Ga-4:	C[6a]-3:Ga-4:C-3:	Ga(C[6a]C[6a]2)2(NC[6a]C)(OC)	C[6a](C[6a]C[6a]F)2(GaC[6a]NO)	N(C[6a]C[6a]2)(GaC[6a]2O)(CC[6a]O)	Ga(C[6a]C[6a]2)2(NC[6a]C)(OC)	C[6a](C[6a]C[6a]F)2(GaC[6a]NO){1|C<3>,2|F<1>}	N(C[6a]C[6a]2)(GaC[6a]2O)(CC[6a]O)	110.8595	3.311	2	110.8595	10.965	2	110.8595	10.965	2	110.8595	10.965	2	106.8134	30.775	4	106.8134	30.775	4
984	643	956	0:SP-NON_SP2_SP2	Ga	C[6a]	N	3:3:3:4:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N-3:C-4:	C[6a]-3:C[6a]-3:Ga-4:	C[6,6]-3:Ga-4:N[6]-3:	Ga(C[6a]C[6a]2)2(NC[6,6]N[6])(CH3)	C[6a](C[6a]C[6a]F)2(GaC[6a]CN)	N(C[6,6]C[3x6]2)(GaC[6a]2C)(N[6]C[6]2)	Ga(C[6a]C[6a]2)2(NC[6,6]N[6])(CH3)	C[6a](C[6a]C[6a]F)2(GaC[6a]CN){1|C<3>,2|F<1>}	N(C[6,6]C[3x6]2)(GaC[6a]2C)(N[6]C[6]2)	102.7673	3.985	2	102.7673	15.878	2	102.7673	15.878	2	102.7673	15.878	2	106.8134	30.775	4	106.8134	30.775	4
984	643	983	0:SP-NON_SP1_SP2	Ga	C[6a]	C	3:2:2:2:	3:3:4:	4:1:	C[6a]-3:C-2:C-2:C-2:	C[6a]-3:C[6a]-3:Ga-4:	Ga-4:N-1:	Ga(C[6a]C[6a]2)(CN)3	C[6a](C[6a]C[6a]C)2(GaC3)	C(GaC[6a]CC)(N)	Ga(C[6a]C[6a]2)(CN)3	C[6a](C[6a]C[6a]C)2(GaC3){1|C<3>,2|H<1>}	C(GaC[6a]CC)(N)	115.4287	3.853	3	115.4287	14.844	3	115.4287	14.844	3	115.4287	14.844	3	115.4287	14.844	3	115.4287	14.844	3
984	690	944	0:SP-NON_SP-NON_SP-NON	Ga	Ga	I	2:1:1:1:	4:4:	4:	Ga-2:I-1:I-1:I-1:	C[5]-4:Ga-4:	Ga-4:	Ga(GaC[5])(I)3	Ga(C[5]C[5]2H)(GaI3)	I(GaGaII)	Ga(GaC[5])(I)3	Ga(C[5]C[5]2H)(GaI3)	I(GaGaII)	107.5187	2.811	3	107.5187	7.904	3	107.5187	7.904	3	107.5187	7.904	3	107.5187	7.904	3	107.5187	7.904	3
984	762	790	0:SP-NON_SP-NON_SP2	Ga	C[6]	Cl	3:1:1:1:	3:3:4:	4:	C[6]-3:Cl-1:Cl-1:Cl-1:	N[6]-3:N[6]-3:Ga-4:	Ga-4:	Ga(C[6]N[6]2)(Cl)3	C[6](N[6]C[6a]C[6])2(GaCl3)	Cl(GaC[6]Cl2)	Ga(C[6]N[6]2)(Cl)3	C[6](N[6]C[6a]C[6])2(GaCl3){1|C<4>,4|C<3>,4|H<1>}	Cl(GaC[6]Cl2)	113.0807	5.545	3	113.0807	30.745	3	113.0807	30.745	3	113.0807	30.745	3	113.6945	18.101	6	113.6945	18.101	6
984	762	790	0:SP-NON_SP-NON_SP2	Ga	C[6]	Cl	3:1:1:1:	4:4:4:	4:	C[6]-3:Cl-1:Cl-1:Cl-1:	P[6]-4:P[6]-4:Ga-4:	Ga-4:	Ga(C[6]P[6]2)(Cl)3	C[6](P[6]C[6a]2C[6])2(GaCl3)	Cl(GaC[6]Cl2)	Ga(C[6]P[6]2)(Cl)3	C[6](P[6]C[6a]2C[6])2(GaCl3){1|C<4>,4|H<1>,8|C<3>}	Cl(GaC[6]Cl2)	114.3083	3.657	3	114.3083	13.376	3	114.3083	13.376	3	114.3083	13.376	3	113.6945	18.101	6	113.6945	18.101	6
984	762	893	0:SP-NON_SP2_SP3	Ga	C[6]	O	3:4:4:2:	3:3:4:	4:4:	C[6]-3:C-4:C-4:O-2:	N[6]-3:N[6]-3:Ga-4:	C-4:Ga-4:	Ga(C[6]N[6]2)(CH3)2(OC)	C[6](N[6]C[6a]C[6])2(GaCCO)	O(CC[6a]2C)(GaC[6]CC)	Ga(C[6]N[6]2)(CH3)2(OC)	C[6](N[6]C[6a]C[6])2(GaCCO){1|C<4>,4|C<3>,4|H<1>}	O(CC[6a]2C)(GaC[6]CC)	92.7336	0.000	1	92.7336	0.000	1	92.7336	0.000	1	92.7336	0.000	1	92.7336	0.000	1	92.7336	0.000	1
984	790	790	0:SP-NON_SP-NON_SP-NON	Ga	Cl	Cl	1:1:1:1:	4:	4:	Cl-1:Cl-1:Cl-1:Cl-1:	Ga-4:	Ga-4:	Ga(Cl)4	Cl(GaCl3)	Cl(GaCl3)	Ga(Cl)4	Cl(GaCl3)	Cl(GaCl3)	109.4787	1.637	916	109.4787	2.681	916	109.4787	2.681	916	109.4428	2.869	922	109.5029	6.510	1191	109.5029	6.510	1191
984	790	790	0:SP-NON_SP-NON_SP-NON	Ga	Cl	Cl	1:1:1:1:	4:	4:	Cl-1:Cl-1:Cl-1:H-1:	Ga-4:	Ga-4:	Ga(Cl)3(H)	Cl(GaCl2H)	Cl(GaCl2H)	Ga(Cl)3(H)	Cl(GaCl2H)	Cl(GaCl2H)	103.9590	1.264	6	103.9590	1.598	6	103.9590	1.598	6	109.4428	2.869	922	109.5029	6.510	1191	109.5029	6.510	1191
984	790	790	0:SP-NON_SP-NON_SP-NON	Ga	Cl	Cl	2:1:1:1:	4:	4:	C-2:Cl-1:Cl-1:Cl-1:	Ga-4:	Ga-4:	Ga(CN)(Cl)3	Cl(GaCl2C)	Cl(GaCl2C)	Ga(CN)(Cl)3	Cl(GaCl2C)	Cl(GaCl2C)	112.6173	0.546	3	112.6173	0.298	3	112.6173	0.298	3	112.3677	9.192	54	109.5029	6.510	1191	109.5029	6.510	1191
984	790	790	0:SP-NON_SP-NON_SP-NON	Ga	Cl	Cl	2:1:1:1:	4:	4:	Cl-2:Cl-1:Cl-1:Cl-1:	Ga-4:	Ga-4:	Ga(ClGa)(Cl)3	Cl(GaCl3)	Cl(GaCl3)	Ga(ClGa)(Cl)3	Cl(GaCl3)	Cl(GaCl3)	113.8101	1.767	36	113.8101	3.122	36	113.8101	3.122	36	112.3677	9.192	54	109.5029	6.510	1191	109.5029	6.510	1191
984	790	790	0:SP-NON_SP-NON_SP-NON	Ga	Cl	Cl	2:1:1:1:	4:	4:	N-2:Cl-1:Cl-1:Cl-1:	Ga-4:	Ga-4:	Ga(NC)(Cl)3	Cl(GaCl2N)	Cl(GaCl2N)	Ga(NC)(Cl)3	Cl(GaCl2N)	Cl(GaCl2N)	113.6495	0.394	2	113.6495	0.155	2	113.6495	0.155	2	112.3677	9.192	54	109.5029	6.510	1191	109.5029	6.510	1191
984	790	790	0:SP-NON_SP-NON_SP-NON	Ga	Cl	Cl	2:1:1:1:	4:	4:	O-2:Cl-1:Cl-1:Cl-1:	Ga-4:	Ga-4:	Ga(OP[5])(Cl)3	Cl(GaCl2O)	Cl(GaCl2O)	Ga(OP[5])(Cl)3	Cl(GaCl2O)	Cl(GaCl2O)	111.3267	2.054	3	111.3267	4.220	3	111.3267	4.220	3	112.3677	9.192	54	109.5029	6.510	1191	109.5029	6.510	1191
984	790	790	0:SP-NON_SP-NON_SP-NON	Ga	Cl	Cl	2:1:1:1:	4:	4:	S-2:Cl-1:Cl-1:Cl-1:	Ga-4:	Ga-4:	Ga(SGa)(Cl)3	Cl(GaCl2S)	Cl(GaCl2S)	Ga(SGa)(Cl)3	Cl(GaCl2S)	Cl(GaCl2S)	107.2463	1.256	3	107.2463	1.578	3	107.4000	1.697	5	112.3677	9.192	54	109.5029	6.510	1191	109.5029	6.510	1191
984	790	790	0:SP-NON_SP-NON_SP-NON	Ga	Cl	Cl	2:1:1:1:	4:	4:	S-2:Cl-1:Cl-1:Cl-1:	Ga-4:	Ga-4:	Ga(SGe[6])(Cl)3	Cl(GaCl2S)	Cl(GaCl2S)	Ga(SGe[6])(Cl)3	Cl(GaCl2S)	Cl(GaCl2S)	107.6305	1.859	2	107.6305	3.456	2	107.4000	1.697	5	112.3677	9.192	54	109.5029	6.510	1191	109.5029	6.510	1191
984	790	790	0:SP-NON_SP-NON_SP-NON	Ga	Cl	Cl	2:1:1:1:	4:	4:	Se-2:Cl-1:Cl-1:Cl-1:	Ga-4:	Ga-4:	Ga(SeGe[6])(Cl)3	Cl(GaCl2Se)	Cl(GaCl2Se)	Ga(SeGe[6])(Cl)3	Cl(GaCl2Se)	Cl(GaCl2Se)	106.9120	1.422	5	106.9120	2.021	5	106.9120	2.021	5	112.3677	9.192	54	109.5029	6.510	1191	109.5029	6.510	1191
984	790	790	0:SP-NON_SP-NON_SP-NON	Ga	Cl	Cl	2:2:1:1:	4:	4:	S-2:S-2:Cl-1:Cl-1:	Ga-4:	Ga-4:	Ga(SC[5])2(Cl)2	Cl(GaClSS)	Cl(GaClSS)	Ga(SC[5])2(Cl)2	Cl(GaClSS)	Cl(GaClSS)	113.5710	0.000	1	113.5710	0.000	1	113.5710	0.000	1	113.5710	0.000	1	109.5029	6.510	1191	109.5029	6.510	1191
984	790	790	0:SP-NON_SP-NON_SP-NON	Ga	Cl	Cl	2:4:1:1:	4:	4:	O-2:N-4:Cl-1:Cl-1:	Ga-4:	Ga-4:	Ga(OC[6a])(NC3)(Cl)2	Cl(GaClNO)	Cl(GaClNO)	Ga(OC[6a])(NC3)(Cl)2	Cl(GaClNO)	Cl(GaClNO)	105.8825	0.377	2	105.8825	0.142	2	105.8825	0.142	2	105.8825	0.142	2	109.5029	6.510	1191	109.5029	6.510	1191
984	790	790	0:SP-NON_SP-NON_SP-NON	Ga	Cl	Cl	3:1:1:1:	4:	4:	C-3:Cl-1:Cl-1:Cl-1:	Ga-4:	Ga-4:	Ga(CCC)(Cl)3	Cl(GaCl2C)	Cl(GaCl2C)	Ga(CCC)(Cl)3	Cl(GaCl2C)	Cl(GaCl2C)	103.6163	3.045	6	103.6163	9.272	6	104.8601	5.176	21	109.4402	17.668	131	109.5029	6.510	1191	109.5029	6.510	1191
984	790	790	0:SP-NON_SP-NON_SP-NON	Ga	Cl	Cl	3:1:1:1:	4:	4:	C-3:Cl-1:Cl-1:Cl-1:	Ga-4:	Ga-4:	Ga(CCP)(Cl)3	Cl(GaCl2C)	Cl(GaCl2C)	Ga(CCP)(Cl)3	Cl(GaCl2C)	Cl(GaCl2C)	105.7401	1.339	9	105.7401	1.794	9	104.8601	5.176	21	109.4402	17.668	131	109.5029	6.510	1191	109.5029	6.510	1191
984	790	790	0:SP-NON_SP-NON_SP-NON	Ga	Cl	Cl	3:1:1:1:	4:	4:	C-3:Cl-1:Cl-1:Cl-1:	Ga-4:	Ga-4:	Ga(CPP)(Cl)3	Cl(GaCl2C)	Cl(GaCl2C)	Ga(CPP)(Cl)3	Cl(GaCl2C)	Cl(GaCl2C)	104.7840	2.303	6	104.7840	5.304	6	104.8601	5.176	21	109.4402	17.668	131	109.5029	6.510	1191	109.5029	6.510	1191
984	790	790	0:SP-NON_SP-NON_SP-NON	Ga	Cl	Cl	3:1:1:1:	4:	4:	C[5]-3:Cl-1:Cl-1:Cl-1:	Ga-4:	Ga-4:	Ga(C[5]C[5,6]N[5])(Cl)3	Cl(GaC[5]Cl2)	Cl(GaC[5]Cl2)	Ga(C[5]C[5,6]N[5])(Cl)3	Cl(GaC[5]Cl2)	Cl(GaC[5]Cl2)	107.1593	2.372	6	107.1593	5.628	6	107.6451	2.990	18	109.4402	17.668	131	109.5029	6.510	1191	109.5029	6.510	1191
984	790	790	0:SP-NON_SP-NON_SP-NON	Ga	Cl	Cl	3:1:1:1:	4:	4:	C[5]-3:Cl-1:Cl-1:Cl-1:	Ga-4:	Ga-4:	Ga(C[5]C[5]N[5])(Cl)3	Cl(GaC[5]Cl2)	Cl(GaC[5]Cl2)	Ga(C[5]C[5]N[5])(Cl)3	Cl(GaC[5]Cl2)	Cl(GaC[5]Cl2)	107.7827	1.084	6	107.7827	1.175	6	107.6451	2.990	18	109.4402	17.668	131	109.5029	6.510	1191	109.5029	6.510	1191
984	790	790	0:SP-NON_SP-NON_SP-NON	Ga	Cl	Cl	3:1:1:1:	4:	4:	C[5]-3:Cl-1:Cl-1:Cl-1:	Ga-4:	Ga-4:	Ga(C[5]N[5]2)(Cl)3	Cl(GaC[5]Cl2)	Cl(GaC[5]Cl2)	Ga(C[5]N[5]2)(Cl)3	Cl(GaC[5]Cl2)	Cl(GaC[5]Cl2)	107.9932	1.706	6	107.9932	2.912	6	107.6451	2.990	18	109.4402	17.668	131	109.5029	6.510	1191	109.5029	6.510	1191
984	790	790	0:SP-NON_SP-NON_SP-NON	Ga	Cl	Cl	3:1:1:1:	4:	4:	C[5]-3:Cl-1:Cl-1:H-1:	Ga-4:	Ga-4:	Ga(C[5]C[5]N[5])(Cl)2(H)	Cl(GaC[5]ClH)	Cl(GaC[5]ClH)	Ga(C[5]C[5]N[5])(Cl)2(H)	Cl(GaC[5]ClH)	Cl(GaC[5]ClH)	104.4640	0.000	1	104.4640	0.000	1	105.1297	0.567	3	109.4402	17.668	131	109.5029	6.510	1191	109.5029	6.510	1191
984	790	790	0:SP-NON_SP-NON_SP-NON	Ga	Cl	Cl	3:1:1:1:	4:	4:	C[5]-3:Cl-1:Cl-1:H-1:	Ga-4:	Ga-4:	Ga(C[5]N[5]2)(Cl)2(H)	Cl(GaC[5]ClH)	Cl(GaC[5]ClH)	Ga(C[5]N[5]2)(Cl)2(H)	Cl(GaC[5]ClH)	Cl(GaC[5]ClH)	105.4625	0.685	2	105.4625	0.469	2	105.1297	0.567	3	109.4402	17.668	131	109.5029	6.510	1191	109.5029	6.510	1191
984	790	790	0:SP-NON_SP-NON_SP-NON	Ga	Cl	Cl	3:1:1:1:	4:	4:	C[6]-3:Cl-1:Cl-1:Cl-1:	Ga-4:	Ga-4:	Ga(C[6]N[6]2)(Cl)3	Cl(GaC[6]Cl2)	Cl(GaC[6]Cl2)	Ga(C[6]N[6]2)(Cl)3	Cl(GaC[6]Cl2)	Cl(GaC[6]Cl2)	105.7080	3.773	3	105.7080	14.232	3	104.9600	6.537	6	109.4402	17.668	131	109.5029	6.510	1191	109.5029	6.510	1191
984	790	790	0:SP-NON_SP-NON_SP-NON	Ga	Cl	Cl	3:1:1:1:	4:	4:	C[6]-3:Cl-1:Cl-1:Cl-1:	Ga-4:	Ga-4:	Ga(C[6]P[6]2)(Cl)3	Cl(GaC[6]Cl2)	Cl(GaC[6]Cl2)	Ga(C[6]P[6]2)(Cl)3	Cl(GaC[6]Cl2)	Cl(GaC[6]Cl2)	104.2120	0.658	3	104.2120	0.433	3	104.9600	6.537	6	109.4402	17.668	131	109.5029	6.510	1191	109.5029	6.510	1191
984	790	790	0:SP-NON_SP-NON_SP-NON	Ga	Cl	Cl	3:1:1:1:	4:	4:	C[6a]-3:Cl-1:Cl-1:Cl-1:	Ga-4:	Ga-4:	Ga(C[6a]C[6,6a]C[6a])(Cl)3	Cl(GaC[6a]Cl2)	Cl(GaC[6a]Cl2)	Ga(C[6a]C[6,6a]C[6a])(Cl)3	Cl(GaC[6a]Cl2)	Cl(GaC[6a]Cl2)	107.7320	2.345	3	107.7320	5.501	3	105.9888	9.633	6	109.4402	17.668	131	109.5029	6.510	1191	109.5029	6.510	1191
984	790	790	0:SP-NON_SP-NON_SP-NON	Ga	Cl	Cl	3:1:1:1:	4:	4:	C[6a]-3:Cl-1:Cl-1:Cl-1:	Ga-4:	Ga-4:	Ga(C[6a]C[6a,6a]C[6a])(Cl)3	Cl(GaC[6a]Cl2)	Cl(GaC[6a]Cl2)	Ga(C[6a]C[6a,6a]C[6a])(Cl)3	Cl(GaC[6a]Cl2)	Cl(GaC[6a]Cl2)	104.2457	3.077	3	104.2457	9.466	3	105.9888	9.633	6	109.4402	17.668	131	109.5029	6.510	1191	109.5029	6.510	1191
984	790	790	0:SP-NON_SP-NON_SP-NON	Ga	Cl	Cl	3:1:1:1:	4:	4:	Ge[6]-3:Cl-1:Cl-1:Cl-1:	Ga-4:	Ga-4:	Ga(Ge[6]C[5,6]2)(Cl)3	Cl(GaGe[6]Cl2)	Cl(GaGe[6]Cl2)	Ga(Ge[6]C[5,6]2)(Cl)3	Cl(GaGe[6]Cl2)	Cl(GaGe[6]Cl2)	102.6719	3.300	3	102.6719	10.888	3	102.6719	10.888	3	109.4402	17.668	131	109.5029	6.510	1191	109.5029	6.510	1191
984	790	790	0:SP-NON_SP-NON_SP-NON	Ga	Cl	Cl	3:1:1:1:	4:	4:	N-3:Cl-1:Cl-1:Cl-1:	Ga-4:	Ga-4:	Ga(NC[6a]C)(Cl)3	Cl(GaCl2N)	Cl(GaCl2N)	Ga(NC[6a]C)(Cl)3	Cl(GaCl2N)	Cl(GaCl2N)	114.4918	1.507	6	114.4918	2.271	6	113.7439	3.072	17	109.4402	17.668	131	109.5029	6.510	1191	109.5029	6.510	1191
984	790	790	0:SP-NON_SP-NON_SP-NON	Ga	Cl	Cl	3:1:1:1:	4:	4:	N-3:Cl-1:Cl-1:Cl-1:	Ga-4:	Ga-4:	Ga(NGaN)(Cl)3	Cl(GaCl2N)	Cl(GaCl2N)	Ga(NGaN)(Cl)3	Cl(GaCl2N)	Cl(GaCl2N)	113.3359	1.806	11	113.3359	3.262	11	113.7439	3.072	17	109.4402	17.668	131	109.5029	6.510	1191	109.5029	6.510	1191
984	790	790	0:SP-NON_SP-NON_SP-NON	Ga	Cl	Cl	3:1:1:1:	4:	4:	N[6]-3:Cl-1:Cl-1:Cl-1:	Ga-4:	Ga-4:	Ga(N[6]C[6]2)(Cl)3	Cl(GaN[6]Cl2)	Cl(GaN[6]Cl2)	Ga(N[6]C[6]2)(Cl)3	Cl(GaN[6]Cl2)	Cl(GaN[6]Cl2)	112.3341	3.352	18	112.3341	11.235	18	112.3921	8.692	33	109.4402	17.668	131	109.5029	6.510	1191	109.5029	6.510	1191
984	790	790	0:SP-NON_SP-NON_SP-NON	Ga	Cl	Cl	3:1:1:1:	4:	4:	N[6]-3:Cl-1:Cl-1:Cl-1:	Ga-4:	Ga-4:	Ga(N[6]P[6]2)(Cl)3	Cl(GaN[6]Cl2)	Cl(GaN[6]Cl2)	Ga(N[6]P[6]2)(Cl)3	Cl(GaN[6]Cl2)	Cl(GaN[6]Cl2)	112.4616	2.493	15	112.4616	6.216	15	112.3921	8.692	33	109.4402	17.668	131	109.5029	6.510	1191	109.5029	6.510	1191
984	790	790	0:SP-NON_SP-NON_SP-NON	Ga	Cl	Cl	3:1:1:1:	4:	4:	N[6]-3:Cl-1:Cl-1:H-1:	Ga-4:	Ga-4:	Ga(N[6]C[6]2)(Cl)2(H)	Cl(GaN[6]ClH)	Cl(GaN[6]ClH)	Ga(N[6]C[6]2)(Cl)2(H)	Cl(GaN[6]ClH)	Cl(GaN[6]ClH)	107.5680	1.286	5	107.5680	1.655	5	107.5680	1.655	5	109.4402	17.668	131	109.5029	6.510	1191	109.5029	6.510	1191
984	790	790	0:SP-NON_SP-NON_SP-NON	Ga	Cl	Cl	3:1:1:1:	4:	4:	O[5]-3:Cl-1:Cl-1:Cl-1:	Ga-4:	Ga-4:	Ga(O[5]C[5]2)(Cl)3	Cl(GaO[5]Cl2)	Cl(GaO[5]Cl2)	Ga(O[5]C[5]2)(Cl)3	Cl(GaO[5]Cl2)	Cl(GaO[5]Cl2)	113.8550	1.105	2	113.8550	1.220	2	113.8550	1.220	2	109.4402	17.668	131	109.5029	6.510	1191	109.5029	6.510	1191
984	790	790	0:SP-NON_SP-NON_SP-NON	Ga	Cl	Cl	3:1:1:1:	4:	4:	P-3:Cl-1:Cl-1:Cl-1:	Ga-4:	Ga-4:	Ga(PCC)(Cl)3	Cl(GaCl2P)	Cl(GaCl2P)	Ga(PCC)(Cl)3	Cl(GaCl2P)	Cl(GaCl2P)	110.2873	1.574	3	110.2873	2.476	3	110.1795	3.623	6	109.4402	17.668	131	109.5029	6.510	1191	109.5029	6.510	1191
984	790	790	0:SP-NON_SP-NON_SP-NON	Ga	Cl	Cl	3:1:1:1:	4:	4:	P-3:Cl-1:Cl-1:Cl-1:	Ga-4:	Ga-4:	Ga(PC[3x6]C)(Cl)3	Cl(GaCl2P)	Cl(GaCl2P)	Ga(PC[3x6]C)(Cl)3	Cl(GaCl2P)	Cl(GaCl2P)	110.0717	2.558	3	110.0717	6.545	3	110.1795	3.623	6	109.4402	17.668	131	109.5029	6.510	1191	109.5029	6.510	1191
984	790	790	0:SP-NON_SP-NON_SP-NON	Ga	Cl	Cl	3:1:1:1:	4:	4:	S-3:Cl-1:Cl-1:Cl-1:	Ga-4:	Ga-4:	Ga(SCC)(Cl)3	Cl(GaCl2S)	Cl(GaCl2S)	Ga(SCC)(Cl)3	Cl(GaCl2S)	Cl(GaCl2S)	113.1113	1.426	6	113.1113	2.033	6	113.1113	2.033	6	109.4402	17.668	131	109.5029	6.510	1191	109.5029	6.510	1191
984	790	790	0:SP-NON_SP-NON_SP-NON	Ga	Cl	Cl	3:1:1:1:	4:	4:	Se-3:Cl-1:Cl-1:Cl-1:	Ga-4:	Ga-4:	Ga(SeCC)(Cl)3	Cl(GaCl2Se)	Cl(GaCl2Se)	Ga(SeCC)(Cl)3	Cl(GaCl2Se)	Cl(GaCl2Se)	112.0026	1.990	5	112.0026	3.958	5	112.0026	3.958	5	109.4402	17.668	131	109.5029	6.510	1191	109.5029	6.510	1191
984	790	790	0:SP-NON_SP-NON_SP-NON	Ga	Cl	Cl	3:2:1:1:	4:	4:	C[5]-3:F-2:Cl-1:Cl-1:	Ga-4:	Ga-4:	Ga(C[5]N[5]2)(FB)(Cl)2	Cl(GaC[5]ClF)	Cl(GaC[5]ClF)	Ga(C[5]N[5]2)(FB)(Cl)2	Cl(GaC[5]ClF)	Cl(GaC[5]ClF)	112.8550	1.024	2	112.8550	1.048	2	113.3740	1.332	3	113.3740	1.332	3	109.5029	6.510	1191	109.5029	6.510	1191
984	790	790	0:SP-NON_SP-NON_SP-NON	Ga	Cl	Cl	3:2:1:1:	4:	4:	C[5]-3:F-2:Cl-1:Cl-1:	Ga-4:	Ga-4:	Ga(C[5]N[5]2)(FSb)(Cl)2	Cl(GaC[5]ClF)	Cl(GaC[5]ClF)	Ga(C[5]N[5]2)(FSb)(Cl)2	Cl(GaC[5]ClF)	Cl(GaC[5]ClF)	114.4120	0.000	1	114.4120	0.000	1	113.3740	1.332	3	113.3740	1.332	3	109.5029	6.510	1191	109.5029	6.510	1191
984	790	790	0:SP-NON_SP-NON_SP-NON	Ga	Cl	Cl	3:3:1:1:	4:	4:	B[5a]-3:O[5]-3:Cl-1:Cl-1:	Ga-4:	Ga-4:	Ga(B[5a]N[5a]2)(O[5]C[5]2)(Cl)2	Cl(GaB[5a]O[5]Cl)	Cl(GaB[5a]O[5]Cl)	Ga(B[5a]N[5a]2)(O[5]C[5]2)(Cl)2	Cl(GaB[5a]O[5]Cl)	Cl(GaB[5a]O[5]Cl)	106.1200	0.000	1	106.1200	0.000	1	106.1200	0.000	1	105.4517	8.612	11	109.5029	6.510	1191	109.5029	6.510	1191
984	790	790	0:SP-NON_SP-NON_SP-NON	Ga	Cl	Cl	3:3:1:1:	4:	4:	C-3:O-3:Cl-1:Cl-1:	Ga-4:	Ga-4:	Ga(CSiC)(OCC)(Cl)2	Cl(GaClCO)	Cl(GaClCO)	Ga(CSiC)(OCC)(Cl)2	Cl(GaClCO)	Cl(GaClCO)	107.5550	2.243	3	107.5550	5.031	3	107.5550	5.031	3	105.4517	8.612	11	109.5029	6.510	1191	109.5029	6.510	1191
984	790	790	0:SP-NON_SP-NON_SP-NON	Ga	Cl	Cl	3:3:1:1:	4:	4:	C[5]-3:C[5]-3:Cl-1:Cl-1:	Ga-4:	Ga-4:	Ga(C[5]N[5,5]2)2(Cl)2	Cl(GaC[5]2Cl)	Cl(GaC[5]2Cl)	Ga(C[5]N[5,5]2)2(Cl)2	Cl(GaC[5]2Cl)	Cl(GaC[5]2Cl)	108.1360	0.000	1	108.1360	0.000	1	108.1360	0.000	1	105.4517	8.612	11	109.5029	6.510	1191	109.5029	6.510	1191
984	790	790	0:SP-NON_SP-NON_SP-NON	Ga	Cl	Cl	3:3:1:1:	4:	4:	C[5]-3:N-3:Cl-1:Cl-1:	Ga-4:	Ga-4:	Ga(C[5]N[5]2)(NSi2)(Cl)2	Cl(GaC[5]ClN)	Cl(GaC[5]ClN)	Ga(C[5]N[5]2)(NSi2)(Cl)2	Cl(GaC[5]ClN)	Cl(GaC[5]ClN)	103.5420	0.000	1	103.5420	0.000	1	103.5420	0.000	1	105.4517	8.612	11	109.5029	6.510	1191	109.5029	6.510	1191
984	790	790	0:SP-NON_SP-NON_SP-NON	Ga	Cl	Cl	3:3:1:1:	4:	4:	C[6a]-3:C[5]-3:Cl-1:Cl-1:	Ga-4:	Ga-4:	Ga(C[6a]C[6a]2)(C[5]N[5]2)(Cl)2	Cl(GaC[6a]C[5]Cl)	Cl(GaC[6a]C[5]Cl)	Ga(C[6a]C[6a]2)(C[5]N[5]2)(Cl)2	Cl(GaC[6a]C[5]Cl)	Cl(GaC[6a]C[5]Cl)	101.9900	0.385	2	101.9900	0.148	2	101.9900	0.148	2	105.4517	8.612	11	109.5029	6.510	1191	109.5029	6.510	1191
984	790	790	0:SP-NON_SP-NON_SP-NON	Ga	Cl	Cl	3:3:1:1:	4:	4:	C[6a]-3:N[6]-3:Cl-1:Cl-1:	Ga-4:	Ga-4:	Ga(C[6a]C[6a,6a]C[6a])(N[6]C[6]2)(Cl)2	Cl(GaC[6a]N[6]Cl)	Cl(GaC[6a]N[6]Cl)	Ga(C[6a]C[6a,6a]C[6a])(N[6]C[6]2)(Cl)2	Cl(GaC[6a]N[6]Cl)	Cl(GaC[6a]N[6]Cl)	107.2930	0.485	2	107.2930	0.235	2	107.2930	0.235	2	105.4517	8.612	11	109.5029	6.510	1191	109.5029	6.510	1191
984	790	790	0:SP-NON_SP-NON_SP-NON	Ga	Cl	Cl	3:3:1:1:	4:	4:	N-3:N-3:Cl-1:Cl-1:	Ga-4:	Ga-4:	Ga(NC[6a]C)2(Cl)2	Cl(GaClNN)	Cl(GaClNN)	Ga(NC[6a]C)2(Cl)2	Cl(GaClNN)	Cl(GaClNN)	100.9400	0.000	1	100.9400	0.000	1	100.9400	0.000	1	105.4517	8.612	11	109.5029	6.510	1191	109.5029	6.510	1191
984	790	790	0:SP-NON_SP-NON_SP-NON	Ga	Cl	Cl	3:4:1:1:	4:	4:	C[6a]-3:C[5]-4:Cl-1:Cl-1:	Ga-4:	Ga-4:	Ga(C[6a]C[6a]2)(C[5]C[5]2C)(Cl)2	Cl(GaC[6a]C[5]Cl)	Cl(GaC[6a]C[5]Cl)	Ga(C[6a]C[6a]2)(C[5]C[5]2C)(Cl)2	Cl(GaC[6a]C[5]Cl)	Cl(GaC[6a]C[5]Cl)	89.2832	0.000	1	89.2832	0.000	1	89.2832	0.000	1	99.3193	94.471	3	109.5029	6.510	1191	109.5029	6.510	1191
984	790	790	0:SP-NON_SP-NON_SP-NON	Ga	Cl	Cl	3:4:1:1:	4:	4:	N-3:C-4:Cl-1:Cl-1:	Ga-4:	Ga-4:	Ga(NC[6a]C)(CH3)(Cl)2	Cl(GaClCN)	Cl(GaClCN)	Ga(NC[6a]C)(CH3)(Cl)2	Cl(GaClCN)	Cl(GaClCN)	108.6880	0.000	1	108.6880	0.000	1	108.6880	0.000	1	99.3193	94.471	3	109.5029	6.510	1191	109.5029	6.510	1191
984	790	790	0:SP-NON_SP-NON_SP-NON	Ga	Cl	Cl	3:4:1:1:	4:	4:	N-3:P-4:Cl-1:Cl-1:	Ga-4:	Ga-4:	Ga(NSiC)(PC3)(Cl)2	Cl(GaClNP)	Cl(GaClNP)	Ga(NSiC)(PC3)(Cl)2	Cl(GaClNP)	Cl(GaClNP)	99.9867	0.000	1	99.9867	0.000	1	99.9867	0.000	1	99.3193	94.471	3	109.5029	6.510	1191	109.5029	6.510	1191
984	790	790	0:SP-NON_SP-NON_SP-NON	Ga	Cl	Cl	4:1:1:1:	4:	4:	As-4:Cl-1:Cl-1:Cl-1:	Ga-4:	Ga-4:	Ga(AsC3)(Cl)3	Cl(GaAsCl2)	Cl(GaAsCl2)	Ga(AsC3)(Cl)3	Cl(GaAsCl2)	Cl(GaAsCl2)	111.3833	0.754	3	111.3833	0.569	3	111.3833	0.569	3	109.8013	13.408	56	109.5029	6.510	1191	109.5029	6.510	1191
984	790	790	0:SP-NON_SP-NON_SP-NON	Ga	Cl	Cl	4:1:1:1:	4:	4:	C[5]-4:Cl-1:Cl-1:Cl-1:	Ga-4:	Ga-4:	Ga(C[5]C[5,6]P[5]H)(Cl)3	Cl(GaC[5]Cl2)	Cl(GaC[5]Cl2)	Ga(C[5]C[5,6]P[5]H)(Cl)3	Cl(GaC[5]Cl2)	Cl(GaC[5]Cl2)	106.6953	5.395	3	106.6953	29.102	3	108.6298	16.095	15	109.8013	13.408	56	109.5029	6.510	1191	109.5029	6.510	1191
984	790	790	0:SP-NON_SP-NON_SP-NON	Ga	Cl	Cl	4:1:1:1:	4:	4:	C[5]-4:Cl-1:Cl-1:Cl-1:	Ga-4:	Ga-4:	Ga(C[5]C[5,6a]C[5]H)(Cl)3	Cl(GaC[5]Cl2)	Cl(GaC[5]Cl2)	Ga(C[5]C[5,6a]C[5]H)(Cl)3	Cl(GaC[5]Cl2)	Cl(GaC[5]Cl2)	112.1552	2.337	6	112.1552	5.461	6	108.6298	16.095	15	109.8013	13.408	56	109.5029	6.510	1191	109.5029	6.510	1191
984	790	790	0:SP-NON_SP-NON_SP-NON	Ga	Cl	Cl	4:1:1:1:	4:	4:	C[5]-4:Cl-1:Cl-1:Cl-1:	Ga-4:	Ga-4:	Ga(C[5]C[5]2Si)(Cl)3	Cl(GaC[5]Cl2)	Cl(GaC[5]Cl2)	Ga(C[5]C[5]2Si)(Cl)3	Cl(GaC[5]Cl2)	Cl(GaC[5]Cl2)	106.0717	1.718	6	106.0717	2.952	6	108.6298	16.095	15	109.8013	13.408	56	109.5029	6.510	1191	109.5029	6.510	1191
984	790	790	0:SP-NON_SP-NON_SP-NON	Ga	Cl	Cl	4:1:1:1:	4:	4:	Ga-4:Cl-1:Cl-1:Cl-1:	Ga-4:	Ga-4:	Ga(GaCl3)(Cl)3	Cl(GaCl2Ga)	Cl(GaCl2Ga)	Ga(GaCl3)(Cl)3	Cl(GaCl2Ga)	Cl(GaCl2Ga)	101.7230	1.824	4	101.7230	3.327	4	101.7230	3.327	4	109.8013	13.408	56	109.5029	6.510	1191	109.5029	6.510	1191
984	790	790	0:SP-NON_SP-NON_SP-NON	Ga	Cl	Cl	4:1:1:1:	4:	4:	N-4:Cl-1:Cl-1:Cl-1:	Ga-4:	Ga-4:	Ga(NCHH)(Cl)3	Cl(GaCl2N)	Cl(GaCl2N)	Ga(NCHH)(Cl)3	Cl(GaCl2N)	Cl(GaCl2N)	113.4347	1.888	3	113.4347	3.565	3	113.4347	3.565	3	109.8013	13.408	56	109.5029	6.510	1191	109.5029	6.510	1191
984	790	790	0:SP-NON_SP-NON_SP-NON	Ga	Cl	Cl	4:1:1:1:	4:	4:	N[3x6]-4:Cl-1:Cl-1:H-1:	Ga-4:	Ga-4:	Ga(N[3x6]C[6,6]3)(Cl)2(H)	Cl(GaN[3x6]ClH)	Cl(GaN[3x6]ClH)	Ga(N[3x6]C[6,6]3)(Cl)2(H)	Cl(GaN[3x6]ClH)	Cl(GaN[3x6]ClH)	108.2390	0.000	1	108.2390	0.000	1	108.2390	0.000	1	109.8013	13.408	56	109.5029	6.510	1191	109.5029	6.510	1191
984	790	790	0:SP-NON_SP-NON_SP-NON	Ga	Cl	Cl	4:1:1:1:	4:	4:	N[6]-4:Cl-1:Cl-1:Cl-1:	Ga-4:	Ga-4:	Ga(N[6]C[6]2H)(Cl)3	Cl(GaN[6]Cl2)	Cl(GaN[6]Cl2)	Ga(N[6]C[6]2H)(Cl)3	Cl(GaN[6]Cl2)	Cl(GaN[6]Cl2)	112.3393	1.963	3	112.3393	3.854	3	112.3393	3.854	3	109.8013	13.408	56	109.5029	6.510	1191	109.5029	6.510	1191
984	790	790	0:SP-NON_SP-NON_SP-NON	Ga	Cl	Cl	4:1:1:1:	4:	4:	P-4:Cl-1:Cl-1:Cl-1:	Ga-4:	Ga-4:	Ga(PC3)(Cl)3	Cl(GaCl2P)	Cl(GaCl2P)	Ga(PC3)(Cl)3	Cl(GaCl2P)	Cl(GaCl2P)	110.3007	1.507	3	110.3007	2.271	3	110.8257	4.279	24	109.8013	13.408	56	109.5029	6.510	1191	109.5029	6.510	1191
984	790	790	0:SP-NON_SP-NON_SP-NON	Ga	Cl	Cl	4:1:1:1:	4:	4:	P-4:Cl-1:Cl-1:Cl-1:	Ga-4:	Ga-4:	Ga(PC[4]CC)(Cl)3	Cl(GaCl2P)	Cl(GaCl2P)	Ga(PC[4]CC)(Cl)3	Cl(GaCl2P)	Cl(GaCl2P)	109.1630	3.188	3	109.1630	10.164	3	110.8257	4.279	24	109.8013	13.408	56	109.5029	6.510	1191	109.5029	6.510	1191
984	790	790	0:SP-NON_SP-NON_SP-NON	Ga	Cl	Cl	4:1:1:1:	4:	4:	P-4:Cl-1:Cl-1:Cl-1:	Ga-4:	Ga-4:	Ga(PC[6]3)(Cl)3	Cl(GaCl2P)	Cl(GaCl2P)	Ga(PC[6]3)(Cl)3	Cl(GaCl2P)	Cl(GaCl2P)	108.9813	1.051	3	108.9813	1.104	3	110.8257	4.279	24	109.8013	13.408	56	109.5029	6.510	1191	109.5029	6.510	1191
984	790	790	0:SP-NON_SP-NON_SP-NON	Ga	Cl	Cl	4:1:1:1:	4:	4:	P-4:Cl-1:Cl-1:Cl-1:	Ga-4:	Ga-4:	Ga(PC[6a]2C)(Cl)3	Cl(GaCl2P)	Cl(GaCl2P)	Ga(PC[6a]2C)(Cl)3	Cl(GaCl2P)	Cl(GaCl2P)	112.5077	1.931	3	112.5077	3.729	3	110.8257	4.279	24	109.8013	13.408	56	109.5029	6.510	1191	109.5029	6.510	1191
984	790	790	0:SP-NON_SP-NON_SP-NON	Ga	Cl	Cl	4:1:1:1:	4:	4:	P-4:Cl-1:Cl-1:Cl-1:	Ga-4:	Ga-4:	Ga(PC[6a]CN)(Cl)3	Cl(GaCl2P)	Cl(GaCl2P)	Ga(PC[6a]CN)(Cl)3	Cl(GaCl2P)	Cl(GaCl2P)	110.1917	1.138	6	110.1917	1.295	6	110.8257	4.279	24	109.8013	13.408	56	109.5029	6.510	1191	109.5029	6.510	1191
984	790	790	0:SP-NON_SP-NON_SP-NON	Ga	Cl	Cl	4:1:1:1:	4:	4:	P-4:Cl-1:Cl-1:Cl-1:	Ga-4:	Ga-4:	Ga(PCl2C)(Cl)3	Cl(GaCl2P)	Cl(GaCl2P)	Ga(PCl2C)(Cl)3	Cl(GaCl2P)	Cl(GaCl2P)	113.3707	0.573	3	113.3707	0.328	3	110.8257	4.279	24	109.8013	13.408	56	109.5029	6.510	1191	109.5029	6.510	1191
984	790	790	0:SP-NON_SP-NON_SP-NON	Ga	Cl	Cl	4:1:1:1:	4:	4:	P-4:Cl-1:Cl-1:Cl-1:	Ga-4:	Ga-4:	Ga(PClCN)(Cl)3	Cl(GaCl2P)	Cl(GaCl2P)	Ga(PClCN)(Cl)3	Cl(GaCl2P)	Cl(GaCl2P)	111.8987	1.350	3	111.8987	1.823	3	110.8257	4.279	24	109.8013	13.408	56	109.5029	6.510	1191	109.5029	6.510	1191
984	790	790	0:SP-NON_SP-NON_SP-NON	Ga	Cl	Cl	4:1:1:1:	4:	4:	P[4,5,3x6]-4:Cl-1:Cl-1:Cl-1:	Ga-4:	Ga-4:	Ga(P[4,5,3x6]P[4,5,5,6,6]C[5,5,3x6]C[4,5,6])(Cl)3	Cl(GaP[4,5,3x6]Cl2)	Cl(GaP[4,5,3x6]Cl2)	Ga(P[4,5,3x6]P[4,5,5,6,6]C[5,5,3x6]C[4,5,6])(Cl)3	Cl(GaP[4,5,3x6]Cl2)	Cl(GaP[4,5,3x6]Cl2)	111.0013	1.966	3	111.0013	3.866	3	111.0013	3.866	3	109.8013	13.408	56	109.5029	6.510	1191	109.5029	6.510	1191
984	790	790	0:SP-NON_SP-NON_SP-NON	Ga	Cl	Cl	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:Cl-1:Cl-1:	Ga-4:	Ga-4:	Ga(C[5]C[5]N[5]H)(C[5]N[5]2)(Cl)2	Cl(GaC[5]2Cl)	Cl(GaC[5]2Cl)	Ga(C[5]C[5]N[5]H)(C[5]N[5]2)(Cl)2	Cl(GaC[5]2Cl)	Cl(GaC[5]2Cl)	101.9160	0.000	1	101.9160	0.000	1	101.9160	0.000	1	105.7580	11.116	3	109.5029	6.510	1191	109.5029	6.510	1191
984	790	790	0:SP-NON_SP-NON_SP-NON	Ga	Cl	Cl	4:3:1:1:	4:	4:	C[5]-4:O[5]-3:Cl-1:Cl-1:	Ga-4:	Ga-4:	Ga(C[5]C[5]2C)(O[5]C[5]2)(Cl)2	Cl(GaC[5]O[5]Cl)	Cl(GaC[5]O[5]Cl)	Ga(C[5]C[5]2C)(O[5]C[5]2)(Cl)2	Cl(GaC[5]O[5]Cl)	Cl(GaC[5]O[5]Cl)	107.6790	0.301	2	107.6790	0.091	2	107.6790	0.091	2	105.7580	11.116	3	109.5029	6.510	1191	109.5029	6.510	1191
984	790	790	0:SP-NON_SP-NON_SP-NON	Ga	Cl	Cl	4:4:1:1:	4:	4:	C-4:C-4:Cl-1:Cl-1:	Ga-4:	Ga-4:	Ga(CC[5]HH)2(Cl)2	Cl(GaClCC)	Cl(GaClCC)	Ga(CC[5]HH)2(Cl)2	Cl(GaClCC)	Cl(GaClCC)	103.2700	0.000	1	103.2700	0.000	1	101.6957	1.863	3	103.5152	7.443	5	109.5029	6.510	1191	109.5029	6.510	1191
984	790	790	0:SP-NON_SP-NON_SP-NON	Ga	Cl	Cl	4:4:1:1:	4:	4:	C-4:C-4:Cl-1:Cl-1:	Ga-4:	Ga-4:	Ga(CH3)2(Cl)2	Cl(GaClCC)	Cl(GaClCC)	Ga(CH3)2(Cl)2	Cl(GaClCC)	Cl(GaClCC)	100.9085	0.091	2	100.9085	0.008	2	101.6957	1.863	3	103.5152	7.443	5	109.5029	6.510	1191	109.5029	6.510	1191
984	790	790	0:SP-NON_SP-NON_SP-NON	Ga	Cl	Cl	4:4:1:1:	4:	4:	Ga-4:P-4:Cl-1:Cl-1:	Ga-4:	Ga-4:	Ga(GaCl2P)(PC3)(Cl)2	Cl(GaClGaP)	Cl(GaClGaP)	Ga(GaCl2P)(PC3)(Cl)2	Cl(GaClGaP)	Cl(GaClGaP)	105.4650	0.000	1	105.4650	0.000	1	105.4650	0.000	1	103.5152	7.443	5	109.5029	6.510	1191	109.5029	6.510	1191
984	790	790	0:SP-NON_SP-NON_SP-NON	Ga	Cl	Cl	4:4:1:1:	4:	4:	P-4:C-4:Cl-1:Cl-1:	Ga-4:	Ga-4:	Ga(PC[6a]2C)(CCHH)(Cl)2	Cl(GaClCP)	Cl(GaClCP)	Ga(PC[6a]2C)(CCHH)(Cl)2	Cl(GaClCP)	Cl(GaClCP)	107.0240	0.000	1	107.0240	0.000	1	107.0240	0.000	1	103.5152	7.443	5	109.5029	6.510	1191	109.5029	6.510	1191
984	790	818	0:SP-NON_SP-NON_SP2	Ga	Cl	C[5]	3:1:1:1:	4:	3:3:4:	C[5]-3:Cl-1:Cl-1:Cl-1:	Ga-4:	N[5]-3:C[5]-3:Ga-4:	Ga(C[5]C[5]N[5])(Cl)3	Cl(GaC[5]Cl2)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(GaCl3)	Ga(C[5]C[5]N[5])(Cl)3	Cl(GaC[5]Cl2)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(GaCl3){1|H<1>,3|C<3>}	110.4880	6.206	3	110.4880	38.517	3	110.4880	38.517	3	109.3203	19.214	13	109.0148	38.163	43	109.0148	38.163	43
984	790	818	0:SP-NON_SP-NON_SP2	Ga	Cl	C[5]	3:1:1:1:	4:	3:3:4:	C[5]-3:Cl-1:Cl-1:Cl-1:	Ga-4:	N[5]-3:N[5]-3:Ga-4:	Ga(C[5]N[5]2)(Cl)3	Cl(GaC[5]Cl2)	C[5](N[5]C[5]C)2(GaCl3)	Ga(C[5]N[5]2)(Cl)3	Cl(GaC[5]Cl2)	C[5](N[5]C[5]C)2(GaCl3){2|C<4>}	111.3223	4.330	3	110.8753	13.776	6	110.8753	13.776	6	109.3203	19.214	13	109.0148	38.163	43	109.0148	38.163	43
984	790	818	0:SP-NON_SP-NON_SP2	Ga	Cl	C[5]	3:1:1:1:	4:	3:3:4:	C[5]-3:Cl-1:Cl-1:Cl-1:	Ga-4:	N[5]-3:N[5]-3:Ga-4:	Ga(C[5]N[5]2)(Cl)3	Cl(GaC[5]Cl2)	C[5](N[5]C[5]C)2(GaCl3)	Ga(C[5]N[5]2)(Cl)3	Cl(GaC[5]Cl2)	C[5](N[5]C[5]C)2(GaCl3){2|H<1>}	110.4283	3.885	3	110.8753	13.776	6	110.8753	13.776	6	109.3203	19.214	13	109.0148	38.163	43	109.0148	38.163	43
984	790	818	0:SP-NON_SP-NON_SP2	Ga	Cl	C[5]	3:1:1:1:	4:	3:3:4:	C[5]-3:Cl-1:Cl-1:H-1:	Ga-4:	N[5]-3:N[5]-3:Ga-4:	Ga(C[5]N[5]2)(Cl)2(H)	Cl(GaC[5]ClH)	C[5](N[5]C[5]C)2(GaCl2H)	Ga(C[5]N[5]2)(Cl)2(H)	Cl(GaC[5]ClH)	C[5](N[5]C[5]C)2(GaCl2H){2|C<4>}	105.2965	1.166	2	105.2965	1.360	2	106.1120	8.293	4	109.3203	19.214	13	109.0148	38.163	43	109.0148	38.163	43
984	790	818	0:SP-NON_SP-NON_SP2	Ga	Cl	C[5]	3:1:1:1:	4:	3:3:4:	C[5]-3:Cl-1:Cl-1:H-1:	Ga-4:	N[5]-3:N[5]-3:Ga-4:	Ga(C[5]N[5]2)(Cl)2(H)	Cl(GaC[5]ClH)	C[5](N[5]C[6a]C[5])2(GaCl2H)	Ga(C[5]N[5]2)(Cl)2(H)	Cl(GaC[5]ClH)	C[5](N[5]C[6a]C[5])2(GaCl2H){2|H<1>,4|C<3>}	106.9275	4.567	2	106.9275	20.859	2	106.1120	8.293	4	109.3203	19.214	13	109.0148	38.163	43	109.0148	38.163	43
984	790	818	0:SP-NON_SP-NON_SP2	Ga	Cl	C[5]	3:1:1:1:	4:	3:4:4:	C[5]-3:Cl-1:Cl-1:Cl-1:	Ga-4:	N[5]-3:C[5]-4:Ga-4:	Ga(C[5]C[5]N[5])(Cl)3	Cl(GaC[5]Cl2)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(GaCl3)	Ga(C[5]C[5]N[5])(Cl)3	Cl(GaC[5]Cl2)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(GaCl3){2|C<3>,2|C<4>,2|H<1>}	111.6040	6.229	3	111.6040	38.795	3	111.6040	38.795	3	109.4096	28.461	5	109.0148	38.163	43	109.0148	38.163	43
984	790	818	0:SP-NON_SP-NON_SP2	Ga	Cl	C[5]	3:1:1:1:	4:	3:4:4:	C[5]-3:Cl-1:Cl-1:H-1:	Ga-4:	N[5]-3:C[5]-4:Ga-4:	Ga(C[5]C[5]N[5])(Cl)2(H)	Cl(GaC[5]ClH)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(GaCl2H)	Ga(C[5]C[5]N[5])(Cl)2(H)	Cl(GaC[5]ClH)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(GaCl2H){2|C<3>,2|C<4>,2|H<1>}	106.1180	0.373	2	106.1180	0.139	2	106.1180	0.139	2	109.4096	28.461	5	109.0148	38.163	43	109.0148	38.163	43
984	790	818	0:SP-NON_SP-NON_SP2	Ga	Cl	C[5]	3:1:1:1:	4:	4:3:4:	C[5]-3:Cl-1:Cl-1:Cl-1:	Ga-4:	C[5,6]-4:N[5]-3:Ga-4:	Ga(C[5]C[5,6]N[5])(Cl)3	Cl(GaC[5]Cl2)	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(GaCl3)	Ga(C[5]C[5,6]N[5])(Cl)3	Cl(GaC[5]Cl2)	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(GaCl3){2|C<3>,4|C<4>,6|H<1>}	110.7713	7.878	3	111.6378	51.744	6	111.6378	51.744	6	111.6378	51.744	6	109.0148	38.163	43	109.0148	38.163	43
984	790	818	0:SP-NON_SP-NON_SP2	Ga	Cl	C[5]	3:1:1:1:	4:	4:3:4:	C[5]-3:Cl-1:Cl-1:Cl-1:	Ga-4:	C[5,6]-4:N[5]-3:Ga-4:	Ga(C[5]C[5,6]N[5])(Cl)3	Cl(GaC[5]Cl2)	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(GaCl3)	Ga(C[5]C[5,6]N[5])(Cl)3	Cl(GaC[5]Cl2)	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(GaCl3){2|C<3>,5|C<4>,5|H<1>}	112.5043	8.065	3	111.6378	51.744	6	111.6378	51.744	6	111.6378	51.744	6	109.0148	38.163	43	109.0148	38.163	43
984	790	818	0:SP-NON_SP-NON_SP2	Ga	Cl	C[5]	3:2:1:1:	4:	3:3:4:	C[5]-3:F-2:Cl-1:Cl-1:	Ga-4:	N[5]-3:N[5]-3:Ga-4:	Ga(C[5]N[5]2)(FB)(Cl)2	Cl(GaC[5]ClF)	C[5](N[5]C[6a]C[5])2(GaCl2F)	Ga(C[5]N[5]2)(FB)(Cl)2	Cl(GaC[5]ClF)	C[5](N[5]C[6a]C[5])2(GaCl2F){2|H<1>,4|C<3>}	116.1360	1.872	3	116.1360	3.505	3	116.3280	1.918	5	116.3280	1.918	5	109.0148	38.163	43	109.0148	38.163	43
984	790	818	0:SP-NON_SP-NON_SP2	Ga	Cl	C[5]	3:2:1:1:	4:	3:3:4:	C[5]-3:F-2:Cl-1:Cl-1:	Ga-4:	N[5]-3:N[5]-3:Ga-4:	Ga(C[5]N[5]2)(FSb)(Cl)2	Cl(GaC[5]ClF)	C[5](N[5]C[6a]C[5])2(GaCl2F)	Ga(C[5]N[5]2)(FSb)(Cl)2	Cl(GaC[5]ClF)	C[5](N[5]C[6a]C[5])2(GaCl2F){2|H<1>,4|C<3>}	116.6160	0.621	2	116.6160	0.385	2	116.3280	1.918	5	116.3280	1.918	5	109.0148	38.163	43	109.0148	38.163	43
984	790	818	0:SP-NON_SP-NON_SP2	Ga	Cl	C[5]	3:3:1:1:	4:	3:3:4:	C[5]-3:C[5]-3:Cl-1:Cl-1:	Ga-4:	N[5,5]-3:N[5,5]-3:Ga-4:	Ga(C[5]N[5,5]2)2(Cl)2	Cl(GaC[5]2Cl)	C[5](N[5,5]C[5,5]C[5])2(GaC[5]Cl2)	Ga(C[5]N[5,5]2)2(Cl)2	Cl(GaC[5]2Cl)	C[5](N[5,5]C[5,5]C[5])2(GaC[5]Cl2){2|O<2>,6|C<4>}	108.4945	5.426	4	108.4945	29.446	4	108.4945	29.446	4	107.0163	23.768	6	109.0148	38.163	43	109.0148	38.163	43
984	790	818	0:SP-NON_SP-NON_SP2	Ga	Cl	C[5]	3:3:1:1:	4:	3:3:4:	C[5]-3:N-3:Cl-1:Cl-1:	Ga-4:	N[5]-3:N[5]-3:Ga-4:	Ga(C[5]N[5]2)(NSi2)(Cl)2	Cl(GaC[5]ClN)	C[5](N[5]C[6a]C[5])2(GaCl2N)	Ga(C[5]N[5]2)(NSi2)(Cl)2	Cl(GaC[5]ClN)	C[5](N[5]C[6a]C[5])2(GaCl2N){2|H<1>,4|C<3>}	104.0600	2.069	2	104.0600	4.281	2	104.0600	4.281	2	107.0163	23.768	6	109.0148	38.163	43	109.0148	38.163	43
984	790	818	0:SP-NON_SP-NON_SP2	Ga	Cl	C[5]	3:3:1:1:	4:	4:3:3:	C[6a]-3:C[5]-3:Cl-1:Cl-1:	Ga-4:	Ga-4:N[5]-3:N[5]-3:	Ga(C[6a]C[6a]2)(C[5]N[5]2)(Cl)2	Cl(GaC[6a]C[5]Cl)	C[5](GaC[6a]Cl2)(N[5]C[5]C)2	Ga(C[6a]C[6a]2)(C[5]N[5]2)(Cl)2	Cl(GaC[6a]C[5]Cl)	C[5](GaC[6a]Cl2)(N[5]C[5]C)2{2|C<4>}	104.8422	7.504	4	104.8422	56.314	4	104.8422	56.314	4	104.8422	56.314	4	109.0148	38.163	43	109.0148	38.163	43
984	790	818	0:SP-NON_SP-NON_SP2	Ga	Cl	C[5]	4:3:1:1:	4:	4:3:3:	C[5]-4:C[5]-3:Cl-1:Cl-1:	Ga-4:	Ga-4:N[5]-3:N[5]-3:	Ga(C[5]C[5]N[5]H)(C[5]N[5]2)(Cl)2	Cl(GaC[5]2Cl)	C[5](GaC[5]Cl2)(N[5]C[5]C)2	Ga(C[5]C[5]N[5]H)(C[5]N[5]2)(Cl)2	Cl(GaC[5]2Cl)	C[5](GaC[5]Cl2)(N[5]C[5]C)2{2|C<4>}	105.1970	5.496	2	105.1970	30.202	2	105.1970	30.202	2	101.6223	27.122	4	109.0148	38.163	43	109.0148	38.163	43
984	790	818	0:SP-NON_SP-NON_SP2	Ga	Cl	C[5]	4:3:1:1:	4:	4:3:3:	C[5]-4:C[5]-3:Cl-1:H-1:	Ga-4:	Ga-4:N[5]-3:N[5]-3:	Ga(C[5]C[5]N[5]H)(C[5]N[5]2)(Cl)(H)	Cl(GaC[5]2H)	C[5](GaC[5]ClH)(N[5]C[5]C)2	Ga(C[5]C[5]N[5]H)(C[5]N[5]2)(Cl)(H)	Cl(GaC[5]2H)	C[5](GaC[5]ClH)(N[5]C[5]C)2{2|C<4>}	98.0476	0.226	2	98.0476	0.051	2	98.0476	0.051	2	101.6223	27.122	4	109.0148	38.163	43	109.0148	38.163	43
984	790	854	0:SP-NON_SP-NON_SP3	Ga	Cl	N[3x6]	4:1:1:1:	4:	4:4:4:4:	N[3x6]-4:Cl-1:Cl-1:H-1:	Ga-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:Ga-4:	Ga(N[3x6]C[6,6]3)(Cl)2(H)	Cl(GaN[3x6]ClH)	N[3x6](C[6,6]C[6,6]HH)3(GaCl2H)	Ga(N[3x6]C[6,6]3)(Cl)2(H)	Cl(GaN[3x6]ClH)	N[3x6](C[6,6]C[6,6]HH)3(GaCl2H){1|C<4>,6|H<1>}	103.3960	0.000	1	103.3960	0.000	1	103.3960	0.000	1	103.3960	0.000	1	103.3960	0.000	1	105.6672	2.502	4
984	790	854	0:SP-NON_SP-NON_SP3	Ga	Cl	N[6]	4:1:1:1:	4:	4:4:4:1:	N[6]-4:Cl-1:Cl-1:Cl-1:	Ga-4:	C[6]-4:C[6]-4:Ga-4:H-1:	Ga(N[6]C[6]2H)(Cl)3	Cl(GaN[6]Cl2)	N[6](C[6]C[6]HH)2(GaCl3)(H)	Ga(N[6]C[6]2H)(Cl)3	Cl(GaN[6]Cl2)	N[6](C[6]C[6]HH)2(GaCl3)(H){1|C<4>,4|H<1>}	106.4243	0.560	3	106.4243	0.314	3	106.4243	0.314	3	106.4243	0.314	3	106.4243	0.314	3	105.6672	2.502	4
984	790	856	0:SP-NON_SP-NON_SP2	Ga	Cl	N[6]	3:1:1:1:	4:	3:3:4:	N[6]-3:Cl-1:Cl-1:Cl-1:	Ga-4:	C[6]-3:C[6]-3:Ga-4:	Ga(N[6]C[6]2)(Cl)3	Cl(GaN[6]Cl2)	N[6](C[6]C[6]H)2(GaCl3)	Ga(N[6]C[6]2)(Cl)3	Cl(GaN[6]Cl2)	N[6](C[6]C[6]H)2(GaCl3){1|C<3>,2|C<4>}	106.8540	1.191	3	105.2470	4.026	15	106.2703	13.801	18	104.9021	12.737	28	104.8727	10.829	38	104.8727	10.829	38
984	790	856	0:SP-NON_SP-NON_SP2	Ga	Cl	N[6]	3:1:1:1:	4:	3:3:4:	N[6]-3:Cl-1:Cl-1:Cl-1:	Ga-4:	C[6]-3:C[6]-3:Ga-4:	Ga(N[6]C[6]2)(Cl)3	Cl(GaN[6]Cl2)	N[6](C[6]C[6]H)2(GaCl3)	Ga(N[6]C[6]2)(Cl)3	Cl(GaN[6]Cl2)	N[6](C[6]C[6]H)2(GaCl3){1|C<3>,2|H<1>}	105.5600	1.718	9	105.2470	4.026	15	106.2703	13.801	18	104.9021	12.737	28	104.8727	10.829	38	104.8727	10.829	38
984	790	856	0:SP-NON_SP-NON_SP2	Ga	Cl	N[6]	3:1:1:1:	4:	3:3:4:	N[6]-3:Cl-1:Cl-1:Cl-1:	Ga-4:	C[6]-3:C[6]-3:Ga-4:	Ga(N[6]C[6]2)(Cl)3	Cl(GaN[6]Cl2)	N[6](C[6]C[6]H)2(GaCl3)	Ga(N[6]C[6]2)(Cl)3	Cl(GaN[6]Cl2)	N[6](C[6]C[6]H)2(GaCl3){1|N<3>,2|H<1>}	102.7010	0.958	3	105.2470	4.026	15	106.2703	13.801	18	104.9021	12.737	28	104.8727	10.829	38	104.8727	10.829	38
984	790	856	0:SP-NON_SP-NON_SP2	Ga	Cl	N[6]	3:1:1:1:	4:	3:3:4:	N[6]-3:Cl-1:Cl-1:Cl-1:	Ga-4:	C[6]-3:C[6]-3:Ga-4:	Ga(N[6]C[6]2)(Cl)3	Cl(GaN[6]Cl2)	N[6](C[6]C[6a]C[6])2(GaCl3)	Ga(N[6]C[6]2)(Cl)3	Cl(GaN[6]Cl2)	N[6](C[6]C[6a]C[6])2(GaCl3){2|H<1>,5|C<3>}	111.3870	6.481	3	111.3870	42.003	3	106.2703	13.801	18	104.9021	12.737	28	104.8727	10.829	38	104.8727	10.829	38
984	790	856	0:SP-NON_SP-NON_SP2	Ga	Cl	N[6]	3:1:1:1:	4:	3:3:4:	N[6]-3:Cl-1:Cl-1:H-1:	Ga-4:	C[6]-3:C[6]-3:Ga-4:	Ga(N[6]C[6]2)(Cl)2(H)	Cl(GaN[6]ClH)	N[6](C[6]C[6]H)2(GaCl2H)	Ga(N[6]C[6]2)(Cl)2(H)	Cl(GaN[6]ClH)	N[6](C[6]C[6]H)2(GaCl2H){1|C<3>,2|C<4>}	102.5500	0.058	2	102.4393	1.658	10	102.4393	1.658	10	104.9021	12.737	28	104.8727	10.829	38	104.8727	10.829	38
984	790	856	0:SP-NON_SP-NON_SP2	Ga	Cl	N[6]	3:1:1:1:	4:	3:3:4:	N[6]-3:Cl-1:Cl-1:H-1:	Ga-4:	C[6]-3:C[6]-3:Ga-4:	Ga(N[6]C[6]2)(Cl)2(H)	Cl(GaN[6]ClH)	N[6](C[6]C[6]H)2(GaCl2H)	Ga(N[6]C[6]2)(Cl)2(H)	Cl(GaN[6]ClH)	N[6](C[6]C[6]H)2(GaCl2H){1|C<3>,2|H<1>}	102.4116	1.458	8	102.4393	1.658	10	102.4393	1.658	10	104.9021	12.737	28	104.8727	10.829	38	104.8727	10.829	38
984	790	856	0:SP-NON_SP-NON_SP2	Ga	Cl	N[6]	3:1:1:1:	4:	4:4:4:	N[6]-3:Cl-1:Cl-1:Cl-1:	Ga-4:	P[6]-4:P[6]-4:Ga-4:	Ga(N[6]P[6]2)(Cl)3	Cl(GaN[6]Cl2)	N[6](P[6]N[6]Cl2)2(GaCl3)	Ga(N[6]P[6]2)(Cl)3	Cl(GaN[6]Cl2)	N[6](P[6]N[6]Cl2)2(GaCl3){1|P<4>}	106.3125	2.009	6	106.3125	4.035	6	106.3125	4.035	6	106.3125	4.035	6	104.8727	10.829	38	104.8727	10.829	38
984	790	856	0:SP-NON_SP-NON_SP2	Ga	Cl	N[6]	3:3:1:1:	4:	4:3:3:	C[6a]-3:N[6]-3:Cl-1:Cl-1:	Ga-4:	Ga-4:C[6]-3:C[6]-3:	Ga(C[6a]C[6a,6a]C[6a])(N[6]C[6]2)(Cl)2	Cl(GaC[6a]N[6]Cl)	N[6](GaC[6a]Cl2)(C[6]C[6]C)(C[6]C[6]H)	Ga(C[6a]C[6a,6a]C[6a])(N[6]C[6]2)(Cl)2	Cl(GaC[6a]N[6]Cl)	N[6](GaC[6a]Cl2)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,2|H<1>}	102.1645	0.624	2	102.1645	0.390	2	102.5067	0.585	4	102.5067	0.585	4	104.8727	10.829	38	104.8727	10.829	38
984	790	856	0:SP-NON_SP-NON_SP2	Ga	Cl	N[6]	3:3:1:1:	4:	4:3:3:	C[6a]-3:N[6]-3:Cl-1:Cl-1:	Ga-4:	Ga-4:C[6]-3:C[6]-3:	Ga(C[6a]C[6a,6a]C[6a])(N[6]C[6]2)(Cl)2	Cl(GaC[6a]N[6]Cl)	N[6](GaC[6a]Cl2)(C[6]C[6]H)2	Ga(C[6a]C[6a,6a]C[6a])(N[6]C[6]2)(Cl)2	Cl(GaC[6a]N[6]Cl)	N[6](GaC[6a]Cl2)(C[6]C[6]H)2{1|C<3>,2|H<1>}	102.8490	0.946	2	102.8490	0.895	2	102.5067	0.585	4	102.5067	0.585	4	104.8727	10.829	38	104.8727	10.829	38
984	790	856	0:SP-NON_SP-NON_SP3	Ga	Cl	N[6]	3:1:1:1:	4:	4:4:4:	N[6]-3:Cl-1:Cl-1:Cl-1:	Ga-4:	P[6]-4:P[6]-4:Ga-4:	Ga(N[6]P[6]2)(Cl)3	Cl(GaN[6]Cl2)	N[6](P[6]N[6]Cl2)(P[6]N[6]ClN)(GaCl3)	Ga(N[6]P[6]2)(Cl)3	Cl(GaN[6]Cl2)	N[6](P[6]N[6]Cl2)(P[6]N[6]ClN)(GaCl3){1|C<3>}	107.3657	1.552	3	107.3657	2.408	3	106.2862	4.176	9	106.2862	4.176	9	106.2862	4.176	9	106.2862	4.176	9
984	790	856	0:SP-NON_SP-NON_SP3	Ga	Cl	N[6]	3:1:1:1:	4:	4:4:4:	N[6]-3:Cl-1:Cl-1:Cl-1:	Ga-4:	P[6]-4:P[6]-4:Ga-4:	Ga(N[6]P[6]2)(Cl)3	Cl(GaN[6]Cl2)	N[6](P[6]N[6]Cl2)2(GaCl3)	Ga(N[6]P[6]2)(Cl)3	Cl(GaN[6]Cl2)	N[6](P[6]N[6]Cl2)2(GaCl3){1|P<4>}	105.7465	2.161	6	105.7465	4.670	6	106.2862	4.176	9	106.2862	4.176	9	106.2862	4.176	9	106.2862	4.176	9
984	790	871	0:SP-NON_SP-NON_SP3	Ga	Cl	O	2:4:3:1:	4:	3:4:1:	O-2:N-4:O-3:Cl-1:	Ga-4:	C-3:Ga-4:H-1:	Ga(OC[6a])(NC3)(OCH)(Cl)	Cl(GaNOO)	O(CC[6a]H)(GaClNO)(H)	Ga(OC[6a])(NC3)(OCH)(Cl)	Cl(GaNOO)	O(CC[6a]H)(GaClNO)(H)	107.6090	0.000	1	107.6090	0.000	1	107.6090	0.000	1	107.6090	0.000	1	101.1391	8.520	7	101.1391	8.520	7
984	790	871	0:SP-NON_SP-NON_SP3	Ga	Cl	O	3:3:1:1:	4:	4:4:4:	C-3:O-3:Cl-1:Cl-1:	Ga-4:	Ga-4:C-4:C-4:	Ga(CSiC)(OCC)(Cl)2	Cl(GaClCO)	O(GaCl2C)(CCHH)2	Ga(CSiC)(OCC)(Cl)2	Cl(GaClCO)	O(GaCl2C)(CCHH)2	100.0608	0.676	6	100.0608	0.457	6	100.0608	0.457	6	100.0608	0.457	6	101.1391	8.520	7	101.1391	8.520	7
984	790	887	0:SP-NON_SP-NON_SP3	Ga	Cl	S	3:1:1:1:	4:	4:4:4:	S-3:Cl-1:Cl-1:Cl-1:	Ga-4:	C-4:Ga-4:C-4:	Ga(SCC)(Cl)3	Cl(GaCl2S)	S(CC[6a]HH)(GaCl3)(CCHH)	Ga(SCC)(Cl)3	Cl(GaCl2S)	S(CC[6a]HH)(GaCl3)(CCHH)	105.3760	2.137	3	105.3760	4.568	3	105.5143	2.323	6	105.5143	2.323	6	105.5143	2.323	6	105.5143	2.323	6
984	790	887	0:SP-NON_SP-NON_SP3	Ga	Cl	S	3:1:1:1:	4:	4:4:4:	S-3:Cl-1:Cl-1:Cl-1:	Ga-4:	C-4:Ga-4:C-4:	Ga(SCC)(Cl)3	Cl(GaCl2S)	S(CC[6a]HH)(GaCl3)(CH3)	Ga(SCC)(Cl)3	Cl(GaCl2S)	S(CC[6a]HH)(GaCl3)(CH3)	105.6527	1.087	3	105.6527	1.181	3	105.5143	2.323	6	105.5143	2.323	6	105.5143	2.323	6	105.5143	2.323	6
984	790	890	0:SP-NON_SP-NON_SP3	Ga	Cl	As	4:1:1:1:	4:	4:4:4:4:	As-4:Cl-1:Cl-1:Cl-1:	Ga-4:	C-4:Ga-4:C-4:C-4:	Ga(AsC3)(Cl)3	Cl(GaAsCl2)	As(CC[6]HH)(GaCl3)(CH3)2	Ga(AsC3)(Cl)3	Cl(GaAsCl2)	As(CC[6]HH)(GaCl3)(CH3)2	107.2933	9.263	3	107.2933	85.806	3	107.2933	85.806	3	107.2933	85.806	3	107.2933	85.806	3	107.2933	85.806	3
984	790	892	0:SP-NON_SP-NON_SP3	Ga	Cl	N	2:4:1:1:	4:	4:4:4:4:	O-2:N-4:Cl-1:Cl-1:	Ga-4:	Ga-4:C-4:C-4:C-4:	Ga(OC[6a])(NC3)(Cl)2	Cl(GaClNO)	N(GaCl2O)(CCHH)(CH3)2	Ga(OC[6a])(NC3)(Cl)2	Cl(GaClNO)	N(GaCl2O)(CCHH)(CH3)2	95.0623	6.055	4	95.0623	36.663	4	95.0623	36.663	4	95.0623	36.663	4	98.1585	52.565	8	98.1585	52.565	8
984	790	892	0:SP-NON_SP-NON_SP3	Ga	Cl	N	2:4:3:1:	4:	4:4:4:4:	O-2:N-4:O-3:Cl-1:	Ga-4:	Ga-4:C-4:C-4:C-4:	Ga(OC[6a])(NC3)(OCH)(Cl)	Cl(GaNOO)	N(GaClOO)(CCHH)(CH3)2	Ga(OC[6a])(NC3)(OCH)(Cl)	Cl(GaNOO)	N(GaClOO)(CCHH)(CH3)2	89.6651	0.000	1	89.6651	0.000	1	89.6651	0.000	1	89.6651	0.000	1	98.1585	52.565	8	98.1585	52.565	8
984	790	892	0:SP-NON_SP-NON_SP3	Ga	Cl	N	4:1:1:1:	4:	4:4:1:1:	N-4:Cl-1:Cl-1:Cl-1:	Ga-4:	Ga-4:C-4:H-1:H-1:	Ga(NCHH)(Cl)3	Cl(GaCl2N)	N(GaCl3)(CCHH)(H)2	Ga(NCHH)(Cl)3	Cl(GaCl2N)	N(GaCl3)(CCHH)(H)2	105.1180	1.043	3	105.1180	1.087	3	105.1180	1.087	3	105.1180	1.087	3	98.1585	52.565	8	98.1585	52.565	8
984	790	893	0:SP-NON_SP-NON_SP2	Ga	Cl	O	2:4:1:1:	4:	3:4:	O-2:N-4:Cl-1:Cl-1:	Ga-4:	C[6a]-3:Ga-4:	Ga(OC[6a])(NC3)(Cl)2	Cl(GaClNO)	O(C[6a]C[6a]2)(GaCl2N)	Ga(OC[6a])(NC3)(Cl)2	Cl(GaClNO)	O(C[6a]C[6a]2)(GaCl2N)	99.7578	14.135	4	99.7578	199.791	4	99.7578	199.791	4	99.7578	199.791	4	96.4499	147.846	6	96.4499	147.846	6
984	790	893	0:SP-NON_SP-NON_SP2	Ga	Cl	O	2:4:3:1:	4:	3:4:	O-2:N-4:O-3:Cl-1:	Ga-4:	C[6a]-3:Ga-4:	Ga(OC[6a])(NC3)(OCH)(Cl)	Cl(GaNOO)	O(C[6a]C[6a]2)(GaClNO)	Ga(OC[6a])(NC3)(OCH)(Cl)	Cl(GaNOO)	O(C[6a]C[6a]2)(GaClNO)	87.7659	0.000	1	87.7659	0.000	1	87.7659	0.000	1	87.7659	0.000	1	96.4499	147.846	6	96.4499	147.846	6
984	790	893	0:SP-NON_SP-NON_SP2	Ga	Cl	O	4:4:2:1:	4:	4:3:	C-4:C-4:O-2:Cl-1:	Ga-4:	Ga-4:C-3:	Ga(CH3)2(OC)(Cl)	Cl(GaCCO)	O(GaClCC)(CCC)	Ga(CH3)2(OC)(Cl)	Cl(GaCCO)	O(GaClCC)(CCC)	91.9027	0.000	1	91.9027	0.000	1	91.9027	0.000	1	91.9027	0.000	1	96.4499	147.846	6	96.4499	147.846	6
984	790	893	0:SP-NON_SP-NON_SP3	Ga	Cl	O	2:1:1:1:	4:	3:4:	O-2:Cl-1:Cl-1:Cl-1:	Ga-4:	P[5]-3:Ga-4:	Ga(OP[5])(Cl)3	Cl(GaCl2O)	O(P[5]C[5]N[5])(GaCl3)	Ga(OP[5])(Cl)3	Cl(GaCl2O)	O(P[5]C[5]N[5])(GaCl3)	107.5303	2.543	3	107.5303	6.468	3	107.5303	6.468	3	107.5303	6.468	3	107.5303	6.468	3	107.5303	6.468	3
984	790	900	0:SP-NON_SP-NON_SP-NON	Ga	Cl	Cl	2:1:1:1:	4:	4:4:	Cl-2:Cl-1:Cl-1:Cl-1:	Ga-4:	Ga-4:Ga-4:	Ga(ClGa)(Cl)3	Cl(GaCl3)	Cl(GaCl3)2	Ga(ClGa)(Cl)3	Cl(GaCl3)	Cl(GaCl3)2	104.6155	2.620	36	104.6155	6.865	36	104.6155	6.865	36	104.6155	6.865	36	104.6155	6.865	36	104.6155	6.865	36
984	790	908	0:SP-NON_SP-NON_SP2	Ga	Cl	Se	3:1:1:1:	4:	4:4:4:	Se-3:Cl-1:Cl-1:Cl-1:	Ga-4:	Ga-4:C-4:C-4:	Ga(SeCC)(Cl)3	Cl(GaCl2Se)	Se(GaCl3)(CCHH)2	Ga(SeCC)(Cl)3	Cl(GaCl2Se)	Se(GaCl3)(CCHH)2	106.6687	1.577	3	106.6687	2.486	3	107.0472	1.577	5	107.0472	1.577	5	107.0472	1.577	5	107.0472	1.577	5
984	790	908	0:SP-NON_SP-NON_SP2	Ga	Cl	Se	3:1:1:1:	4:	4:4:4:	Se-3:Cl-1:Cl-1:Cl-1:	Ga-4:	Ga-4:C-4:C-4:	Ga(SeCC)(Cl)3	Cl(GaCl2Se)	Se(GaCl3)(CH3)2	Ga(SeCC)(Cl)3	Cl(GaCl2Se)	Se(GaCl3)(CH3)2	107.6150	0.513	2	107.6150	0.264	2	107.0472	1.577	5	107.0472	1.577	5	107.0472	1.577	5	107.0472	1.577	5
984	790	909	0:SP-NON_SP-NON_SP2	Ga	Cl	S	2:2:1:1:	4:	3:4:	S-2:S-2:Cl-1:Cl-1:	Ga-4:	C[5]-3:Ga-4:	Ga(SC[5])2(Cl)2	Cl(GaClSS)	S(C[5]N[5]2)(GaCl2S)	Ga(SC[5])2(Cl)2	Cl(GaClSS)	S(C[5]N[5]2)(GaCl2S)	107.9145	2.116	4	107.9145	4.477	4	107.9145	4.477	4	107.9145	4.477	4	110.0867	5.590	13	110.0867	5.590	13
984	790	909	0:SP-NON_SP-NON_SP2	Ga	Cl	S	2:2:2:1:	4:	3:4:	S-2:S-2:S-2:Cl-1:	Ga-4:	C[5]-3:Ga-4:	Ga(SC[5])3(Cl)	Cl(GaS3)	S(C[5]N[5]2)(GaClSS)	Ga(SC[5])3(Cl)	Cl(GaS3)	S(C[5]N[5]2)(GaClSS)	111.0521	1.816	9	111.0521	3.298	9	111.0521	3.298	9	111.0521	3.298	9	110.0867	5.590	13	110.0867	5.590	13
984	790	909	0:SP-NON_SP-NON_SP3	Ga	Cl	S	2:1:1:1:	4:	4:4:	S-2:Cl-1:Cl-1:Cl-1:	Ga-4:	Ga-4:Ga-4:	Ga(SGa)(Cl)3	Cl(GaCl2S)	S(GaCl3)(GaS3)	Ga(SGa)(Cl)3	Cl(GaCl2S)	S(GaCl3)(GaS3)	111.5280	6.407	3	111.5280	41.048	3	111.5280	41.048	3	111.0252	22.513	5	111.0252	22.513	5	111.0252	22.513	5
984	790	909	0:SP-NON_SP-NON_SP3	Ga	Cl	S	2:1:1:1:	4:	4:4:	S-2:Cl-1:Cl-1:Cl-1:	Ga-4:	Ge[6]-4:Ga-4:	Ga(SGe[6])(Cl)3	Cl(GaCl2S)	S(Ge[6]C[5,6]2S)(GaCl3)	Ga(SGe[6])(Cl)3	Cl(GaCl2S)	S(Ge[6]C[5,6]2S)(GaCl3)	110.2710	2.462	2	110.2710	6.062	2	110.2710	6.062	2	111.0252	22.513	5	111.0252	22.513	5	111.0252	22.513	5
984	790	916	0:SP-NON_SP-NON_SP3	Ga	Cl	O[5]	3:1:1:1:	4:	4:4:4:	O[5]-3:Cl-1:Cl-1:Cl-1:	Ga-4:	C[5]-4:C[5]-4:Ga-4:	Ga(O[5]C[5]2)(Cl)3	Cl(GaO[5]Cl2)	O[5](C[5]C[5]HH)2(GaCl3)	Ga(O[5]C[5]2)(Cl)3	Cl(GaO[5]Cl2)	O[5](C[5]C[5]HH)2(GaCl3){4|H<1>}	105.2430	1.254	2	105.2430	1.574	2	105.2430	1.574	2	105.2430	1.574	2	98.9141	16.204	9	98.9141	16.204	9
984	790	916	0:SP-NON_SP-NON_SP3	Ga	Cl	O[5]	3:3:1:1:	4:	4:4:4:	B[5a]-3:O[5]-3:Cl-1:Cl-1:	Ga-4:	C[5]-4:C[5]-4:Ga-4:	Ga(B[5a]N[5a]2)(O[5]C[5]2)(Cl)2	Cl(GaB[5a]O[5]Cl)	O[5](C[5]C[5]HH)2(GaB[5a]Cl2)	Ga(B[5a]N[5a]2)(O[5]C[5]2)(Cl)2	Cl(GaB[5a]O[5]Cl)	O[5](C[5]C[5]HH)2(GaB[5a]Cl2){4|H<1>}	98.0775	0.444	2	98.0775	0.197	2	98.0775	0.197	2	98.0775	0.197	2	98.9141	16.204	9	98.9141	16.204	9
984	790	916	0:SP-NON_SP-NON_SP3	Ga	Cl	O[5]	3:3:4:1:	4:	4:4:4:	O[5]-3:N-3:C-4:Cl-1:	Ga-4:	Ga[5]-4:C[5]-4:Ga-4:	Ga(O[5]Ga[5]C[5])(NSi2)(CH3)(Cl)	Cl(GaO[5]CN)	O[5](Ga[5]N[5]ClC)(C[5]C[5]HH)(GaClCN)	Ga(O[5]Ga[5]C[5])(NSi2)(CH3)(Cl)	Cl(GaO[5]CN)	O[5](Ga[5]N[5]ClC)(C[5]C[5]HH)(GaClCN){2|C<4>,2|H<1>}	95.4402	0.000	1	95.4402	0.000	1	95.4402	0.000	1	95.4402	0.000	1	98.9141	16.204	9	98.9141	16.204	9
984	790	916	0:SP-NON_SP-NON_SP3	Ga	Cl	O[5]	4:3:1:1:	4:	4:4:4:	C[5]-4:O[5]-3:Cl-1:Cl-1:	Ga-4:	C[5]-4:C[5]-4:Ga-4:	Ga(C[5]C[5]2C)(O[5]C[5]2)(Cl)2	Cl(GaC[5]O[5]Cl)	O[5](C[5]C[5]HH)2(GaC[5]Cl2)	Ga(C[5]C[5]2C)(O[5]C[5]2)(Cl)2	Cl(GaC[5]O[5]Cl)	O[5](C[5]C[5]HH)2(GaC[5]Cl2){4|H<1>}	97.0364	2.594	4	97.0364	6.728	4	97.0364	6.728	4	97.0364	6.728	4	98.9141	16.204	9	98.9141	16.204	9
984	790	917	0:SP-NON_SP-NON_SP3	Ga	Cl	P[4,5,3x6]	4:1:1:1:	4:	3:4:4:4:	P[4,5,3x6]-4:Cl-1:Cl-1:Cl-1:	Ga-4:	P[4,5,5,6,6]-3:C[5,5,3x6]-4:C[4,5,6]-4:Ga-4:	Ga(P[4,5,3x6]P[4,5,5,6,6]C[5,5,3x6]C[4,5,6])(Cl)3	Cl(GaP[4,5,3x6]Cl2)	P[4,5,3x6](P[4,5,5,6,6]C[4,5,5,6,6]C[3x5,6])(C[5,5,3x6]C[3x5,6,6]C[5,6]C)(C[4,5,6]C[4,5,5,6,6]C[5]C)(GaCl3)	Ga(P[4,5,3x6]P[4,5,5,6,6]C[5,5,3x6]C[4,5,6])(Cl)3	Cl(GaP[4,5,3x6]Cl2)	P[4,5,3x6](P[4,5,5,6,6]C[4,5,5,6,6]C[3x5,6])(C[5,5,3x6]C[3x5,6,6]C[5,6]C)(C[4,5,6]C[4,5,5,6,6]C[5]C)(GaCl3){2|C<3>,6|C<4>}	107.8950	2.345	3	107.8950	5.498	3	107.8950	5.498	3	107.8950	5.498	3	107.8950	5.498	3	107.8950	5.498	3
984	790	921	0:SP-NON_SP-NON_SP3	Ga	Cl	Se	2:1:1:1:	4:	3:4:	Se-2:Cl-1:Cl-1:Cl-1:	Ga-4:	Ge[6]-3:Ga-4:	Ga(SeGe[6])(Cl)3	Cl(GaCl2Se)	Se(Ge[6]C[5,6]2)(GaCl3)	Ga(SeGe[6])(Cl)3	Cl(GaCl2Se)	Se(Ge[6]C[5,6]2)(GaCl3)	112.4710	5.390	3	112.4710	29.057	3	112.4710	29.057	3	112.4710	29.057	3	111.5506	17.667	5	111.5506	17.667	5
984	790	921	0:SP-NON_SP-NON_SP3	Ga	Cl	Se	2:1:1:1:	4:	4:4:	Se-2:Cl-1:Cl-1:Cl-1:	Ga-4:	Ge[6]-4:Ga-4:	Ga(SeGe[6])(Cl)3	Cl(GaCl2Se)	Se(Ge[6]C[5,6]2Se)(GaCl3)	Ga(SeGe[6])(Cl)3	Cl(GaCl2Se)	Se(Ge[6]C[5,6]2Se)(GaCl3)	110.1700	2.490	2	110.1700	6.202	2	110.1700	6.202	2	110.1700	6.202	2	111.5506	17.667	5	111.5506	17.667	5
984	790	930	0:SP-NON_SP-NON_SP2	Ga	Cl	C	3:1:1:1:	4:	4:3:3:	C-3:Cl-1:Cl-1:Cl-1:	Ga-4:	Ga-4:C-3:C-3:	Ga(CCC)(Cl)3	Cl(GaCl2C)	C(GaCl3)(CNN)2	Ga(CCC)(Cl)3	Cl(GaCl2C)	C(GaCl3)(CNN)2	114.7755	2.558	6	114.7755	6.545	6	114.7755	6.545	6	114.7755	6.545	6	115.0379	18.339	27	115.0379	18.339	27
984	790	930	0:SP-NON_SP-NON_SP2	Ga	Cl	C	3:1:1:1:	4:	4:4:3:	C-3:Cl-1:Cl-1:Cl-1:	Ga-4:	P-4:Ga-4:C-3:	Ga(CCP)(Cl)3	Cl(GaCl2C)	C(PC[6a]3)(GaCl3)(CNO)	Ga(CCP)(Cl)3	Cl(GaCl2C)	C(PC[6a]3)(GaCl3)(CNO)	113.2683	4.277	6	113.2683	18.290	6	112.8839	18.231	9	112.8839	18.231	9	115.0379	18.339	27	115.0379	18.339	27
984	790	930	0:SP-NON_SP-NON_SP2	Ga	Cl	C	3:1:1:1:	4:	4:4:3:	C-3:Cl-1:Cl-1:Cl-1:	Ga-4:	P-4:Ga-4:C-3:	Ga(CCP)(Cl)3	Cl(GaCl2C)	C(PC[6a]3)(GaCl3)(COO)	Ga(CCP)(Cl)3	Cl(GaCl2C)	C(PC[6a]3)(GaCl3)(COO)	112.1150	5.086	3	112.1150	25.867	3	112.8839	18.231	9	112.8839	18.231	9	115.0379	18.339	27	115.0379	18.339	27
984	790	930	0:SP-NON_SP-NON_SP2	Ga	Cl	C	3:1:1:1:	4:	4:4:4:	C-3:Cl-1:Cl-1:Cl-1:	Ga-4:	P-4:P-4:Ga-4:	Ga(CPP)(Cl)3	Cl(GaCl2C)	C(PC[6a]2N[6])2(GaCl3)	Ga(CPP)(Cl)3	Cl(GaCl2C)	C(PC[6a]2N[6])2(GaCl3)	114.0623	1.481	3	114.0623	2.195	3	113.7875	2.228	6	113.7875	2.228	6	115.0379	18.339	27	115.0379	18.339	27
984	790	930	0:SP-NON_SP-NON_SP2	Ga	Cl	C	3:1:1:1:	4:	4:4:4:	C-3:Cl-1:Cl-1:Cl-1:	Ga-4:	P-4:P-4:Ga-4:	Ga(CPP)(Cl)3	Cl(GaCl2C)	C(PC[6a]3)2(GaCl3)	Ga(CPP)(Cl)3	Cl(GaCl2C)	C(PC[6a]3)2(GaCl3)	113.5127	1.774	3	113.5127	3.148	3	113.7875	2.228	6	113.7875	2.228	6	115.0379	18.339	27	115.0379	18.339	27
984	790	930	0:SP-NON_SP-NON_SP2	Ga	Cl	C	3:3:1:1:	4:	3:4:4:	C-3:O-3:Cl-1:Cl-1:	Ga-4:	C-3:Ga-4:Si-4:	Ga(CSiC)(OCC)(Cl)2	Cl(GaClCO)	C(CC[6a]H)(GaCl2O)(SiC3)	Ga(CSiC)(OCC)(Cl)2	Cl(GaClCO)	C(CC[6a]H)(GaCl2O)(SiC3)	119.7815	4.484	6	119.7815	20.107	6	119.7815	20.107	6	119.7815	20.107	6	115.0379	18.339	27	115.0379	18.339	27
984	790	941	0:SP-NON_SP-NON_SP2	Ga	Cl	N	2:1:1:1:	4:	4:2:	N-2:Cl-1:Cl-1:Cl-1:	Ga-4:	Ga-4:C-2:	Ga(NC)(Cl)3	Cl(GaCl2N)	N(GaCl3)(CC)	Ga(NC)(Cl)3	Cl(GaCl2N)	N(GaCl3)(CC)	104.9110	0.330	2	104.9110	0.109	2	104.9110	0.109	2	104.9110	0.109	2	104.9110	0.109	2	104.9110	0.109	2
984	790	945	0:SP-NON_SP-NON_SP3	Ga	Cl	P	3:1:1:1:	4:	4:4:3:	P-3:Cl-1:Cl-1:Cl-1:	Ga-4:	C[3x6]-4:Ga-4:C-3:	Ga(PC[3x6]C)(Cl)3	Cl(GaCl2P)	P(C[3x6]C[6,6]3)(GaCl3)(CCH)	Ga(PC[3x6]C)(Cl)3	Cl(GaCl2P)	P(C[3x6]C[6,6]3)(GaCl3)(CCH)	108.8280	7.682	3	108.8280	59.015	3	108.8280	59.015	3	108.7288	26.454	6	108.7288	26.454	6	108.7288	26.454	6
984	790	945	0:SP-NON_SP-NON_SP3	Ga	Cl	P	3:1:1:1:	4:	4:4:3:	P-3:Cl-1:Cl-1:Cl-1:	Ga-4:	Ga-4:C-4:C-3:	Ga(PCC)(Cl)3	Cl(GaCl2P)	P(GaCl3)(CC3)(CCH)	Ga(PCC)(Cl)3	Cl(GaCl2P)	P(GaCl3)(CC3)(CCH)	108.6297	2.663	3	108.6297	7.091	3	108.6297	7.091	3	108.7288	26.454	6	108.7288	26.454	6	108.7288	26.454	6
984	790	951	0:SP-NON_SP-NON_SP-NON	Ga	Cl	H	1:1:1:1:	4:	4:	Cl-1:Cl-1:Cl-1:H-1:	Ga-4:	Ga-4:	Ga(Cl)3(H)	Cl(GaCl2H)	H(GaCl3)	Ga(Cl)3(H)	Cl(GaCl2H)	H(GaCl3)	114.5262	1.825	5	114.5262	3.330	5	114.5262	3.330	5	114.5262	3.330	5	113.2504	22.395	24	113.2504	22.395	24
984	790	951	0:SP-NON_SP-NON_SP-NON	Ga	Cl	H	3:1:1:1:	4:	4:	C[5]-3:Cl-1:Cl-1:H-1:	Ga-4:	Ga-4:	Ga(C[5]C[5]N[5])(Cl)2(H)	Cl(GaC[5]ClH)	H(GaC[5]Cl2)	Ga(C[5]C[5]N[5])(Cl)2(H)	Cl(GaC[5]ClH)	H(GaC[5]Cl2)	111.6385	2.403	2	111.6385	5.777	2	110.6398	8.426	6	114.1367	14.875	16	113.2504	22.395	24	113.2504	22.395	24
984	790	951	0:SP-NON_SP-NON_SP-NON	Ga	Cl	H	3:1:1:1:	4:	4:	C[5]-3:Cl-1:Cl-1:H-1:	Ga-4:	Ga-4:	Ga(C[5]N[5]2)(Cl)2(H)	Cl(GaC[5]ClH)	H(GaC[5]Cl2)	Ga(C[5]N[5]2)(Cl)2(H)	Cl(GaC[5]ClH)	H(GaC[5]Cl2)	110.1405	3.335	4	110.1405	11.120	4	110.6398	8.426	6	114.1367	14.875	16	113.2504	22.395	24	113.2504	22.395	24
984	790	951	0:SP-NON_SP-NON_SP-NON	Ga	Cl	H	3:1:1:1:	4:	4:	N[6]-3:Cl-1:Cl-1:H-1:	Ga-4:	Ga-4:	Ga(N[6]C[6]2)(Cl)2(H)	Cl(GaN[6]ClH)	H(GaN[6]Cl2)	Ga(N[6]C[6]2)(Cl)2(H)	Cl(GaN[6]ClH)	H(GaN[6]Cl2)	116.2348	2.659	10	116.2348	7.068	10	116.2348	7.068	10	114.1367	14.875	16	113.2504	22.395	24	113.2504	22.395	24
984	790	951	0:SP-NON_SP-NON_SP-NON	Ga	Cl	H	4:1:1:1:	4:	4:	N[3x6]-4:Cl-1:Cl-1:H-1:	Ga-4:	Ga-4:	Ga(N[3x6]C[6,6]3)(Cl)2(H)	Cl(GaN[3x6]ClH)	H(GaN[3x6]Cl2)	Ga(N[3x6]C[6,6]3)(Cl)2(H)	Cl(GaN[3x6]ClH)	H(GaN[3x6]Cl2)	115.1790	0.000	1	115.1790	0.000	1	115.1790	0.000	1	115.1790	0.000	1	113.2504	22.395	24	113.2504	22.395	24
984	790	951	0:SP-NON_SP-NON_SP-NON	Ga	Cl	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:Cl-1:H-1:	Ga-4:	Ga-4:	Ga(C[5]C[5]N[5]H)(C[5]N[5]2)(Cl)(H)	Cl(GaC[5]2H)	H(GaC[5]2Cl)	Ga(C[5]C[5]N[5]H)(C[5]N[5]2)(Cl)(H)	Cl(GaC[5]2H)	H(GaC[5]2Cl)	102.0065	1.162	2	102.0065	1.350	2	102.0065	1.350	2	102.0065	1.350	2	113.2504	22.395	24	113.2504	22.395	24
984	790	956	0:SP-NON_SP-NON_SP2	Ga	Cl	N	3:1:1:1:	4:	3:4:3:	N-3:Cl-1:Cl-1:Cl-1:	Ga-4:	C[6a]-3:Ga-4:C-3:	Ga(NC[6a]C)(Cl)3	Cl(GaCl2N)	N(C[6a]C[6a]2)(GaCl3)(CCH)	Ga(NC[6a]C)(Cl)3	Cl(GaCl2N)	N(C[6a]C[6a]2)(GaCl3)(CCH)	103.7912	0.986	6	103.7912	0.971	6	103.7912	0.971	6	103.7912	0.971	6	102.8790	15.850	25	102.8790	15.850	25
984	790	956	0:SP-NON_SP-NON_SP2	Ga	Cl	N	3:1:1:1:	4:	4:4:2:	N-3:Cl-1:Cl-1:Cl-1:	Ga-4:	Ga-4:Ga-4:N-2:	Ga(NGaN)(Cl)3	Cl(GaCl2N)	N(GaCl3)2(NN)	Ga(NGaN)(Cl)3	Cl(GaCl2N)	N(GaCl3)2(NN)	105.5295	1.414	12	105.5295	2.000	12	105.5295	2.000	12	105.5295	2.000	12	102.8790	15.850	25	102.8790	15.850	25
984	790	956	0:SP-NON_SP-NON_SP2	Ga	Cl	N	3:3:1:1:	4:	3:4:3:	N-3:N-3:Cl-1:Cl-1:	Ga-4:	C[6a]-3:Ga-4:C-3:	Ga(NC[6a]C)2(Cl)2	Cl(GaClNN)	N(C[6a]C[6a]2)(GaCl2N)(CCC)	Ga(NC[6a]C)2(Cl)2	Cl(GaClNN)	N(C[6a]C[6a]2)(GaCl2N)(CCC)	95.3390	2.496	4	95.3390	6.229	4	95.3390	6.229	4	95.3390	6.229	4	102.8790	15.850	25	102.8790	15.850	25
984	790	956	0:SP-NON_SP-NON_SP2	Ga	Cl	N	3:4:1:1:	4:	3:4:3:	N-3:C-4:Cl-1:Cl-1:	Ga-4:	C[6a]-3:Ga-4:C-3:	Ga(NC[6a]C)(CH3)(Cl)2	Cl(GaClCN)	N(C[6a]C[6a]2)(GaCl2C)(CCH)	Ga(NC[6a]C)(CH3)(Cl)2	Cl(GaClCN)	N(C[6a]C[6a]2)(GaCl2C)(CCH)	100.0596	0.244	2	100.0596	0.059	2	100.0596	0.059	2	100.0596	0.059	2	102.8790	15.850	25	102.8790	15.850	25
984	790	956	0:SP-NON_SP-NON_SP2	Ga	Cl	N	3:4:4:1:	4:	3:4:3:	N-3:C-4:C-4:Cl-1:	Ga-4:	C[6a]-3:Ga-4:C-3:	Ga(NC[6a]C)(CH3)2(Cl)	Cl(GaCCN)	N(C[6a]C[6a]2)(GaClCC)(CCH)	Ga(NC[6a]C)(CH3)2(Cl)	Cl(GaCCN)	N(C[6a]C[6a]2)(GaClCC)(CCH)	101.3980	0.000	1	101.3980	0.000	1	101.3980	0.000	1	101.3980	0.000	1	102.8790	15.850	25	102.8790	15.850	25
984	790	956	0:SP-NON_SP-NON_SP3	Ga	Cl	N	3:3:1:1:	4:	4:4:4:	C[5]-3:N-3:Cl-1:Cl-1:	Ga-4:	Ga-4:Si-4:Si-4:	Ga(C[5]N[5]2)(NSi2)(Cl)2	Cl(GaC[5]ClN)	N(GaC[5]Cl2)(SiC3)2	Ga(C[5]N[5]2)(NSi2)(Cl)2	Cl(GaC[5]ClN)	N(GaC[5]Cl2)(SiC3)2	112.3160	1.786	2	112.3160	3.190	2	112.3160	3.190	2	112.3160	3.190	2	113.3122	1.731	5	113.3122	1.731	5
984	790	956	0:SP-NON_SP-NON_SP3	Ga	Cl	N	3:3:4:1:	4:	4:4:4:	O[5]-3:N-3:C-4:Cl-1:	Ga-4:	Ga-4:Si-4:Si-4:	Ga(O[5]Ga[5]C[5])(NSi2)(CH3)(Cl)	Cl(GaO[5]CN)	N(GaO[5]ClC)(SiC3)2	Ga(O[5]Ga[5]C[5])(NSi2)(CH3)(Cl)	Cl(GaO[5]CN)	N(GaO[5]ClC)(SiC3)2	114.0770	0.000	1	114.0770	0.000	1	114.0770	0.000	1	114.0770	0.000	1	113.3122	1.731	5	113.3122	1.731	5
984	790	956	0:SP-NON_SP-NON_SP3	Ga	Cl	N	3:4:1:1:	4:	4:4:4:	N-3:P-4:Cl-1:Cl-1:	Ga-4:	Ga-4:Si-4:C-4:	Ga(NSiC)(PC3)(Cl)2	Cl(GaClNP)	N(GaCl2P)(SiCCN)(CC3)	Ga(NSiC)(PC3)(Cl)2	Cl(GaClNP)	N(GaCl2P)(SiCCN)(CC3)	113.9260	0.642	2	113.9260	0.412	2	113.9260	0.412	2	113.9260	0.412	2	113.3122	1.731	5	113.3122	1.731	5
984	790	983	0:SP-NON_SP-NON_SP1	Ga	Cl	C	2:1:1:1:	4:	4:2:	C-2:Cl-1:Cl-1:Cl-1:	Ga-4:	Ga-4:N-2:	Ga(CN)(Cl)3	Cl(GaCl2C)	C(GaCl3)(NC)	Ga(CN)(Cl)3	Cl(GaCl2C)	C(GaCl3)(NC)	106.0977	1.248	3	106.0977	1.558	3	106.0977	1.558	3	106.0977	1.558	3	106.0977	1.558	3	106.0977	1.558	3
984	790	984	0:SP-NON_SP-NON_SP-NON	Ga	Cl	Ga	4:1:1:1:	4:	4:1:1:1:	Ga-4:Cl-1:Cl-1:Cl-1:	Ga-4:	Ga-4:Cl-1:Cl-1:Cl-1:	Ga(GaCl3)(Cl)3	Cl(GaCl2Ga)	Ga(GaCl3)(Cl)3	Ga(GaCl3)(Cl)3	Cl(GaCl2Ga)	Ga(GaCl3)(Cl)3	117.9590	5.748	4	117.9590	33.045	4	117.9590	33.045	4	117.9590	33.045	4	116.8407	23.307	6	116.8407	23.307	6
984	790	984	0:SP-NON_SP-NON_SP-NON	Ga	Cl	Ga	4:4:1:1:	4:	4:4:1:1:	Ga-4:P-4:Cl-1:Cl-1:	Ga-4:	Ga-4:P-4:Cl-1:Cl-1:	Ga(GaCl2P)(PC3)(Cl)2	Cl(GaClGaP)	Ga(GaCl2P)(PC3)(Cl)2	Ga(GaCl2P)(PC3)(Cl)2	Cl(GaClGaP)	Ga(GaCl2P)(PC3)(Cl)2	114.6040	1.547	2	114.6040	2.394	2	114.6040	2.394	2	114.6040	2.394	2	116.8407	23.307	6	116.8407	23.307	6
984	790	992	0:SP-NON_SP-NON_SP3	Ga	Cl	P	3:4:1:1:	4:	4:4:4:4:	N-3:P-4:Cl-1:Cl-1:	Ga-4:	Ga-4:C-4:C-4:C-4:	Ga(NSiC)(PC3)(Cl)2	Cl(GaClNP)	P(GaCl2N)(CCCH)2(CCHH)	Ga(NSiC)(PC3)(Cl)2	Cl(GaClNP)	P(GaCl2N)(CCCH)2(CCHH)	103.2186	10.382	2	103.2186	107.791	2	103.2186	107.791	2	103.2186	107.791	2	106.7958	32.696	30	106.7958	32.696	30
984	790	992	0:SP-NON_SP-NON_SP3	Ga	Cl	P	4:1:1:1:	4:	3:3:4:4:	P-4:Cl-1:Cl-1:Cl-1:	Ga-4:	C[6a]-3:C[6a]-3:Ga-4:C-4:	Ga(PC[6a]2C)(Cl)3	Cl(GaCl2P)	P(C[6a]C[6a]2)2(GaCl3)(CCHH)	Ga(PC[6a]2C)(Cl)3	Cl(GaCl2P)	P(C[6a]C[6a]2)2(GaCl3)(CCHH)	106.2550	3.083	3	106.2550	9.505	3	106.2550	9.505	3	106.2550	9.505	3	106.7958	32.696	30	106.7958	32.696	30
984	790	992	0:SP-NON_SP-NON_SP3	Ga	Cl	P	4:1:1:1:	4:	3:4:3:4:	P-4:Cl-1:Cl-1:Cl-1:	Ga-4:	C[6a]-3:Ga-4:N-3:C-4:	Ga(PC[6a]CN)(Cl)3	Cl(GaCl2P)	P(C[6a]C[6a]2)(GaCl3)(NSiN)(CH3)	Ga(PC[6a]CN)(Cl)3	Cl(GaCl2P)	P(C[6a]C[6a]2)(GaCl3)(NSiN)(CH3)	108.5130	9.054	6	108.5130	81.981	6	108.5130	81.981	6	108.5130	81.981	6	106.7958	32.696	30	106.7958	32.696	30
984	790	992	0:SP-NON_SP-NON_SP3	Ga	Cl	P	4:1:1:1:	4:	4:3:4:1:	P-4:Cl-1:Cl-1:Cl-1:	Ga-4:	Ga-4:N-3:C-4:Cl-1:	Ga(PClCN)(Cl)3	Cl(GaCl2P)	P(GaCl3)(NSiN)(CH3)(Cl)	Ga(PClCN)(Cl)3	Cl(GaCl2P)	P(GaCl3)(NSiN)(CH3)(Cl)	106.8023	6.190	3	106.8023	38.312	3	106.8023	38.312	3	106.8023	38.312	3	106.7958	32.696	30	106.7958	32.696	30
984	790	992	0:SP-NON_SP-NON_SP3	Ga	Cl	P	4:1:1:1:	4:	4:4:1:1:	P-4:Cl-1:Cl-1:Cl-1:	Ga-4:	Ga-4:C-4:Cl-1:Cl-1:	Ga(PCl2C)(Cl)3	Cl(GaCl2P)	P(GaCl3)(CC3)(Cl)2	Ga(PCl2C)(Cl)3	Cl(GaCl2P)	P(GaCl3)(CC3)(Cl)2	105.1917	2.726	3	105.1917	7.430	3	105.1917	7.430	3	105.1917	7.430	3	106.7958	32.696	30	106.7958	32.696	30
984	790	992	0:SP-NON_SP-NON_SP3	Ga	Cl	P	4:1:1:1:	4:	4:4:4:4:	P-4:Cl-1:Cl-1:Cl-1:	Ga-4:	C[4]-4:Ga-4:C-4:C-4:	Ga(PC[4]CC)(Cl)3	Cl(GaCl2P)	P(C[4]C[4,6]B[4]H)(GaCl3)(CC3)2	Ga(PC[4]CC)(Cl)3	Cl(GaCl2P)	P(C[4]C[4,6]B[4]H)(GaCl3)(CC3)2	109.7877	3.554	3	109.7877	12.629	3	109.7877	12.629	3	109.4406	10.722	9	106.7958	32.696	30	106.7958	32.696	30
984	790	992	0:SP-NON_SP-NON_SP3	Ga	Cl	P	4:1:1:1:	4:	4:4:4:4:	P-4:Cl-1:Cl-1:Cl-1:	Ga-4:	C[6]-4:C[6]-4:C[6]-4:Ga-4:	Ga(PC[6]3)(Cl)3	Cl(GaCl2P)	P(C[6]C[6]2H)3(GaCl3)	Ga(PC[6]3)(Cl)3	Cl(GaCl2P)	P(C[6]C[6]2H)3(GaCl3)	109.9020	5.290	3	109.9020	27.980	3	109.9020	27.980	3	109.4406	10.722	9	106.7958	32.696	30	106.7958	32.696	30
984	790	992	0:SP-NON_SP-NON_SP3	Ga	Cl	P	4:1:1:1:	4:	4:4:4:4:	P-4:Cl-1:Cl-1:Cl-1:	Ga-4:	Ga-4:C-4:C-4:C-4:	Ga(PC3)(Cl)3	Cl(GaCl2P)	P(GaCl3)(CCHH)3	Ga(PC3)(Cl)3	Cl(GaCl2P)	P(GaCl3)(CCHH)3	108.6320	0.894	3	108.6320	0.799	3	108.6320	0.799	3	109.4406	10.722	9	106.7958	32.696	30	106.7958	32.696	30
984	790	992	0:SP-NON_SP-NON_SP3	Ga	Cl	P	4:4:1:1:	4:	3:3:4:4:	P-4:C-4:Cl-1:Cl-1:	Ga-4:	C[6a]-3:C[6a]-3:Ga-4:C-4:	Ga(PC[6a]2C)(CCHH)(Cl)2	Cl(GaClCP)	P(C[6a]C[6a]2)2(GaCl2C)(CCHH)	Ga(PC[6a]2C)(CCHH)(Cl)2	Cl(GaClCP)	P(C[6a]C[6a]2)2(GaCl2C)(CCHH)	101.9960	1.249	2	101.9960	1.559	2	101.9960	1.559	2	101.9960	1.559	2	106.7958	32.696	30	106.7958	32.696	30
984	790	992	0:SP-NON_SP-NON_SP3	Ga	Cl	P	4:4:1:1:	4:	4:4:4:4:	Ga-4:P-4:Cl-1:Cl-1:	Ga-4:	Ga-4:C-4:C-4:C-4:	Ga(GaCl2P)(PC3)(Cl)2	Cl(GaClGaP)	P(GaCl2Ga)(CCHH)3	Ga(GaCl2P)(PC3)(Cl)2	Cl(GaClGaP)	P(GaCl2Ga)(CCHH)3	101.3269	3.454	2	101.3269	11.928	2	101.3269	11.928	2	101.3269	11.928	2	106.7958	32.696	30	106.7958	32.696	30
984	818	818	0:SP-NON_SP2_SP2	Ga	C[5]	C[5]	3:3:1:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:Cl-1:Cl-1:	N[5,5]-3:N[5,5]-3:Ga-4:	N[5,5]-3:N[5,5]-3:Ga-4:	Ga(C[5]N[5,5]2)2(Cl)2	C[5](N[5,5]C[5,5]C[5])2(GaC[5]Cl2)	C[5](N[5,5]C[5,5]C[5])2(GaC[5]Cl2)	Ga(C[5]N[5,5]2)2(Cl)2	C[5](N[5,5]C[5,5]C[5])2(GaC[5]Cl2){2|O<2>,6|C<4>}	C[5](N[5,5]C[5,5]C[5])2(GaC[5]Cl2){2|O<2>,6|C<4>}	114.7860	0.000	1	114.7860	0.000	1	114.7860	0.000	1	114.7860	0.000	1	114.7860	0.000	1	114.7860	0.000	1
984	818	830	0:SP-NON_SP-NON_SP2	Ga	C[5]	F	3:1:1:1:	3:3:4:	4:	C[5]-3:F-1:F-1:F-1:	N[5]-3:N[5]-3:Ga-4:	Ga-4:	Ga(C[5]N[5]2)(F)3	C[5](N[5]C[6a]C[5])2(GaF3)	F(GaC[5]FF)	Ga(C[5]N[5]2)(F)3	C[5](N[5]C[6a]C[5])2(GaF3){2|H<1>,4|C<3>}	F(GaC[5]FF)	111.5123	0.752	3	111.5123	0.566	3	111.5123	0.566	3	111.5123	0.566	3	111.5123	0.566	3	111.5123	0.566	3
984	818	871	0:SP-NON_SP2_SP3	Ga	C[5]	O	3:3:4:4:	3:3:4:	4:4:4:	C[5]-3:O-3:C-4:C-4:	N[5]-3:N[5]-3:Ga-4:	Ga-4:C-4:Ga-4:	Ga(C[5]N[5]2)(OGaC)(CH3)2	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(GaCCO)	O(GaC[5]CC)(CCHH)(GaC3)	Ga(C[5]N[5]2)(OGaC)(CH3)2	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(GaCCO){2|C<3>,4|H<1>}	O(GaC[5]CC)(CCHH)(GaC3)	95.6606	0.000	1	95.6606	0.000	1	95.6606	0.000	1	95.6606	0.000	1	95.6606	0.000	1	95.6606	0.000	1
984	818	893	0:SP-NON_SP2_SP2	Ga	C[5]	O	3:2:4:4:	3:3:4:	3:4:	C[5]-3:O-2:C-4:C-4:	N[5]-3:N[5]-3:Ga-4:	C[6a]-3:Ga-4:	Ga(C[5]N[5]2)(OC[6a])(CH3)2	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(GaCCO)	O(C[6a]C[6a]2)(GaC[5]CC)	Ga(C[5]N[5]2)(OC[6a])(CH3)2	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(GaCCO){2|C<3>,4|H<1>}	O(C[6a]C[6a]2)(GaC[5]CC)	99.8447	0.863	2	99.8447	0.745	2	99.8447	0.745	2	99.8447	0.745	2	99.8447	0.745	2	99.8447	0.745	2
984	818	893	0:SP-NON_SP2_SP3	Ga	C[5]	O	3:2:2:1:	3:3:4:	4:4:	C[5]-3:O-2:O-2:H-1:	N[5]-3:N[5]-3:Ga-4:	Ga-4:S-4:	Ga(C[5]N[5]2)(OS)2(H)	C[5](N[5]C[6a]C[5])2(GaHOO)	O(GaC[5]HO)(SCOO)	Ga(C[5]N[5]2)(OS)2(H)	C[5](N[5]C[6a]C[5])2(GaHOO){2|H<1>,4|C<3>}	O(GaC[5]HO)(SCOO)	101.8783	3.173	2	101.8783	10.069	2	101.8783	10.069	2	101.8783	10.069	2	101.6154	3.718	4	101.6154	3.718	4
984	818	893	0:SP-NON_SP2_SP3	Ga	C[5]	O	3:4:4:2:	3:3:4:	4:4:	C[5]-3:C-4:C-4:O-2:	N[5]-3:N[5]-3:Ga-4:	Ga-4:C-4:	Ga(C[5]N[5]2)(CH3)2(OC)	C[5](N[5]C[6a]C[5])2(GaCCO)	O(GaC[5]CC)(CCHH)	Ga(C[5]N[5]2)(CH3)2(OC)	C[5](N[5]C[6a]C[5])2(GaCCO){4|C<3>,4|H<1>}	O(GaC[5]CC)(CCHH)	100.7170	0.000	1	100.7170	0.000	1	101.3525	0.808	2	101.3525	0.808	2	101.6154	3.718	4	101.6154	3.718	4
984	818	893	0:SP-NON_SP2_SP3	Ga	C[5]	O	3:4:4:2:	3:3:4:	4:4:	C[5]-3:C-4:C-4:O-2:	N[5]-3:N[5]-3:Ga-4:	Ga-4:C-4:	Ga(C[5]N[5]2)(CH3)2(OC)	C[5](N[5]C[6a]C[5])2(GaCCO)	O(GaC[5]CC)(CH3)	Ga(C[5]N[5]2)(CH3)2(OC)	C[5](N[5]C[6a]C[5])2(GaCCO){4|C<3>,4|H<1>}	O(GaC[5]CC)(CH3)	101.9880	0.000	1	101.9880	0.000	1	101.3525	0.808	2	101.3525	0.808	2	101.6154	3.718	4	101.6154	3.718	4
984	818	924	0:SP-NON_SP-NON_SP2	Ga	C[5]	Br	3:1:1:1:	3:3:4:	4:	C[5]-3:Br-1:Br-1:Br-1:	N[5,5]-3:N[5,5]-3:Ga-4:	Ga-4:	Ga(C[5]N[5,5]2)(Br)3	C[5](N[5,5]C[5,5]C[5])2(GaBr3)	Br(GaC[5]Br2)	Ga(C[5]N[5,5]2)(Br)3	C[5](N[5,5]C[5,5]C[5])2(GaBr3){2|O<2>,6|C<4>}	Br(GaC[5]Br2)	112.2407	4.142	3	112.2407	17.153	3	112.2407	17.153	3	112.2407	17.153	3	112.2407	17.153	3	112.2407	17.153	3
984	818	944	0:SP-NON_SP-NON_SP2	Ga	C[5]	I	3:1:1:1:	3:3:4:	4:	C[5]-3:I-1:I-1:I-1:	N[5,5]-3:N[5,5]-3:Ga-4:	Ga-4:	Ga(C[5]N[5,5]2)(I)3	C[5](N[5,5]C[5,5]C[5])2(GaI3)	I(GaC[5]II)	Ga(C[5]N[5,5]2)(I)3	C[5](N[5,5]C[5,5]C[5])2(GaI3){2|O<2>,6|C<4>}	I(GaC[5]II)	113.0080	5.541	3	113.0080	30.701	3	113.0080	30.701	3	113.0080	30.701	3	113.0080	30.701	3	113.0080	30.701	3
984	818	945	0:SP-NON_SP2_SP3	Ga	C[5]	P	3:3:4:4:	3:3:4:	4:4:1:	C[5]-3:P-3:C-4:C-4:	N[5]-3:C[5]-3:Ga-4:	Si-4:Ga-4:H-1:	Ga(C[5]C[5]N[5])(PSiH)(CC3)2	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(GaCCP)	P(SiC[6a]CC)(GaC[5]CC)(H)	Ga(C[5]C[5]N[5])(PSiH)(CC3)2	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(GaCCP){1|H<1>,3|C<3>}	P(SiC[6a]CC)(GaC[5]CC)(H)	100.0070	0.000	1	100.0070	0.000	1	100.0070	0.000	1	100.0070	0.000	1	100.0070	0.000	1	100.0070	0.000	1
984	818	951	0:SP-NON_SP-NON_SP2	Ga	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:Cl-1:Cl-1:H-1:	N[5]-3:N[5]-3:Ga-4:	Ga-4:	Ga(C[5]N[5]2)(Cl)2(H)	C[5](N[5]C[5]C)2(GaCl2H)	H(GaC[5]Cl2)	Ga(C[5]N[5]2)(Cl)2(H)	C[5](N[5]C[5]C)2(GaCl2H){2|C<4>}	H(GaC[5]Cl2)	119.3930	0.000	1	119.3930	0.000	1	118.0970	3.359	2	107.0091	41.725	11	106.7843	41.597	23	106.7843	41.597	23
984	818	951	0:SP-NON_SP-NON_SP2	Ga	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:Cl-1:Cl-1:H-1:	N[5]-3:N[5]-3:Ga-4:	Ga-4:	Ga(C[5]N[5]2)(Cl)2(H)	C[5](N[5]C[6a]C[5])2(GaCl2H)	H(GaC[5]Cl2)	Ga(C[5]N[5]2)(Cl)2(H)	C[5](N[5]C[6a]C[5])2(GaCl2H){2|H<1>,4|C<3>}	H(GaC[5]Cl2)	116.8010	0.000	1	116.8010	0.000	1	118.0970	3.359	2	107.0091	41.725	11	106.7843	41.597	23	106.7843	41.597	23
984	818	951	0:SP-NON_SP-NON_SP2	Ga	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:Ga-4:	Ga-4:	Ga(C[5]N[5]2)(H)3	C[5](N[5]C[5]C)2(GaH3)	H(GaC[5]HH)	Ga(C[5]N[5]2)(H)3	C[5](N[5]C[5]C)2(GaH3){2|C<4>}	H(GaC[5]HH)	105.9280	4.682	3	105.9280	21.917	3	104.5452	14.171	9	107.0091	41.725	11	106.7843	41.597	23	106.7843	41.597	23
984	818	951	0:SP-NON_SP-NON_SP2	Ga	C[5]	H	3:1:1:1:	3:3:4:	4:	C[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:Ga-4:	Ga-4:	Ga(C[5]N[5]2)(H)3	C[5](N[5]C[6a]C[5])2(GaH3)	H(GaC[5]HH)	Ga(C[5]N[5]2)(H)3	C[5](N[5]C[6a]C[5])2(GaH3){4|C<3>,4|H<1>}	H(GaC[5]HH)	103.8538	3.491	6	103.8538	12.186	6	104.5452	14.171	9	107.0091	41.725	11	106.7843	41.597	23	106.7843	41.597	23
984	818	951	0:SP-NON_SP-NON_SP2	Ga	C[5]	H	3:1:1:1:	3:4:4:	4:	C[5]-3:Cl-1:Cl-1:H-1:	N[5]-3:C[5]-4:Ga-4:	Ga-4:	Ga(C[5]C[5]N[5])(Cl)2(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(GaCl2H)	H(GaC[5]Cl2)	Ga(C[5]C[5]N[5])(Cl)2(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(GaCl2H){2|C<3>,2|C<4>,2|H<1>}	H(GaC[5]Cl2)	116.0160	0.000	1	116.0160	0.000	1	116.0160	0.000	1	116.0160	0.000	1	106.7843	41.597	23	106.7843	41.597	23
984	818	951	0:SP-NON_SP-NON_SP2	Ga	C[5]	H	3:2:2:1:	3:3:4:	4:	C[5]-3:O-2:O-2:H-1:	N[5]-3:N[5]-3:Ga-4:	Ga-4:	Ga(C[5]N[5]2)(OS)2(H)	C[5](N[5]C[6a]C[5])2(GaHOO)	H(GaC[5]OO)	Ga(C[5]N[5]2)(OS)2(H)	C[5](N[5]C[6a]C[5])2(GaHOO){2|H<1>,4|C<3>}	H(GaC[5]OO)	123.3290	0.000	1	123.3290	0.000	1	123.3290	0.000	1	123.3290	0.000	1	106.7843	41.597	23	106.7843	41.597	23
984	818	951	0:SP-NON_SP-NON_SP2	Ga	C[5]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[5]-3:H-1:H-1:	N[5]-3:N[5]-3:Ga-4:	Ga-4:	Ga(C[5]C[5]N[5]H)(C[5]N[5]2)(H)2	C[5](N[5]C[5]C)2(GaC[5]HH)	H(GaC[5]2H)	Ga(C[5]C[5]N[5]H)(C[5]N[5]2)(H)2	C[5](N[5]C[5]C)2(GaC[5]HH){2|C<4>}	H(GaC[5]2H)	103.8123	2.018	6	103.8123	4.071	6	103.1423	4.460	8	103.1423	4.460	8	106.7843	41.597	23	106.7843	41.597	23
984	818	951	0:SP-NON_SP-NON_SP2	Ga	C[5]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[5]-3:H-1:H-1:	N[5]-3:N[5]-3:Ga-4:	Ga-4:	Ga(C[5]C[5]N[5]H)(C[5]N[5]2)(H)2	C[5](N[5]C[6a]C[5])2(GaC[5]HH)	H(GaC[5]2H)	Ga(C[5]C[5]N[5]H)(C[5]N[5]2)(H)2	C[5](N[5]C[6a]C[5])2(GaC[5]HH){2|H<1>,4|C<3>}	H(GaC[5]2H)	101.1320	0.303	2	101.1320	0.092	2	103.1423	4.460	8	103.1423	4.460	8	106.7843	41.597	23	106.7843	41.597	23
984	818	951	0:SP-NON_SP-NON_SP2	Ga	C[5]	H	4:3:1:1:	4:3:3:	4:	C[5]-4:C[5]-3:Cl-1:H-1:	Ga-4:N[5]-3:N[5]-3:	Ga-4:	Ga(C[5]C[5]N[5]H)(C[5]N[5]2)(Cl)(H)	C[5](GaC[5]ClH)(N[5]C[5]C)2	H(GaC[5]2Cl)	Ga(C[5]C[5]N[5]H)(C[5]N[5]2)(Cl)(H)	C[5](GaC[5]ClH)(N[5]C[5]C)2{2|C<4>}	H(GaC[5]2Cl)	107.2275	0.804	2	107.2275	0.646	2	107.2275	0.646	2	107.2275	0.646	2	106.7843	41.597	23	106.7843	41.597	23
984	818	956	0:SP-NON_SP2_SP3	Ga	C[5]	N	3:3:1:1:	3:3:4:	4:4:4:	C[5]-3:N-3:Cl-1:Cl-1:	N[5]-3:N[5]-3:Ga-4:	Ga-4:Si-4:Si-4:	Ga(C[5]N[5]2)(NSi2)(Cl)2	C[5](N[5]C[6a]C[5])2(GaCl2N)	N(GaC[5]Cl2)(SiC3)2	Ga(C[5]N[5]2)(NSi2)(Cl)2	C[5](N[5]C[6a]C[5])2(GaCl2N){2|H<1>,4|C<3>}	N(GaC[5]Cl2)(SiC3)2	119.0510	0.000	1	119.0510	0.000	1	119.0510	0.000	1	119.0510	0.000	1	119.0510	0.000	1	119.0510	0.000	1
984	830	830	0:SP-NON_SP-NON_SP-NON	Ga	F	F	1:1:1:1:	4:	4:	F-1:F-1:F-1:F-1:	Ga-4:	Ga-4:	Ga(F)4	F(GaF3)	F(GaF3)	Ga(F)4	F(GaF3)	F(GaF3)	108.8948	2.831	4	108.8948	8.016	4	108.8948	8.016	4	108.8948	8.016	4	108.2306	5.548	7	108.2306	5.548	7
984	830	830	0:SP-NON_SP-NON_SP-NON	Ga	F	F	3:1:1:1:	4:	4:	C[5]-3:F-1:F-1:F-1:	Ga-4:	Ga-4:	Ga(C[5]N[5]2)(F)3	F(GaC[5]FF)	F(GaC[5]FF)	Ga(C[5]N[5]2)(F)3	F(GaC[5]FF)	F(GaC[5]FF)	107.3450	1.600	3	107.3450	2.561	3	107.3450	2.561	3	107.3450	2.561	3	108.2306	5.548	7	108.2306	5.548	7
984	854	951	0:SP-NON_SP-NON_SP3	Ga	N[3x6]	H	4:1:1:1:	4:4:4:4:	4:	N[3x6]-4:Cl-1:Cl-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:Ga-4:	Ga-4:	Ga(N[3x6]C[6,6]3)(Cl)2(H)	N[3x6](C[6,6]C[6,6]HH)3(GaCl2H)	H(GaN[3x6]Cl2)	Ga(N[3x6]C[6,6]3)(Cl)2(H)	N[3x6](C[6,6]C[6,6]HH)3(GaCl2H){1|C<4>,6|H<1>}	H(GaN[3x6]Cl2)	110.1710	0.000	1	110.1710	0.000	1	110.1710	0.000	1	110.1710	0.000	1	102.4874	68.578	3	102.4874	68.578	3
984	854	951	0:SP-NON_SP-NON_SP3	Ga	N[3x6]	H	4:3:3:1:	4:4:4:4:	4:	N[3x6]-4:N-3:N-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:Ga-4:	Ga-4:	Ga(N[3x6]C[6,6]3)(NC[6a]H)2(H)	N[3x6](C[6,6]C[6,6]HH)3(GaHNN)	H(GaN[3x6]NN)	Ga(N[3x6]C[6,6]3)(NC[6a]H)2(H)	N[3x6](C[6,6]C[6,6]HH)3(GaHNN){1|C<4>,6|H<1>}	H(GaN[3x6]NN)	103.5750	0.000	1	103.5750	0.000	1	98.6456	48.599	2	98.6456	48.599	2	102.4874	68.578	3	102.4874	68.578	3
984	854	951	0:SP-NON_SP-NON_SP3	Ga	N[3x6]	H	4:3:3:1:	4:4:4:4:	4:	N[3x6]-4:N-3:N-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:Ga-4:	Ga-4:	Ga(N[3x6]C[6,6]3)(NSi2)2(H)	N[3x6](C[6,6]C[6,6]HH)3(GaHNN)	H(GaN[3x6]NN)	Ga(N[3x6]C[6,6]3)(NSi2)2(H)	N[3x6](C[6,6]C[6,6]HH)3(GaHNN){1|C<4>,6|H<1>}	H(GaN[3x6]NN)	93.7161	0.000	1	93.7161	0.000	1	98.6456	48.599	2	98.6456	48.599	2	102.4874	68.578	3	102.4874	68.578	3
984	854	956	0:SP-NON_SP2_SP3	Ga	N[3x6]	N	4:3:3:1:	4:4:4:4:	4:4:4:	N[3x6]-4:N-3:N-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:Ga-4:	Ga-4:Si-4:Si-4:	Ga(N[3x6]C[6,6]3)(NSi2)2(H)	N[3x6](C[6,6]C[6,6]HH)3(GaHNN)	N(GaN[3x6]HN)(SiC3)2	Ga(N[3x6]C[6,6]3)(NSi2)2(H)	N[3x6](C[6,6]C[6,6]HH)3(GaHNN){1|C<4>,6|H<1>}	N(GaN[3x6]HN)(SiC3)2	109.2595	5.351	2	109.2595	28.630	2	109.2595	28.630	2	109.2595	28.630	2	109.2595	28.630	2	109.2595	28.630	2
984	854	956	0:SP-NON_SP3_SP3	Ga	N[3x6]	N	4:3:3:1:	4:4:4:4:	3:4:1:	N[3x6]-4:N-3:N-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:Ga-4:	C[6a]-3:Ga-4:H-1:	Ga(N[3x6]C[6,6]3)(NC[6a]H)2(H)	N[3x6](C[6,6]C[6,6]HH)3(GaHNN)	N(C[6a]C[6a]2)(GaN[3x6]HN)(H)	Ga(N[3x6]C[6,6]3)(NC[6a]H)2(H)	N[3x6](C[6,6]C[6,6]HH)3(GaHNN){1|C<4>,6|H<1>}	N(C[6a]C[6a]2)(GaN[3x6]HN)(H)	101.9765	0.698	2	101.9765	0.487	2	101.9765	0.487	2	101.9765	0.487	2	101.9765	0.487	2	101.9765	0.487	2
984	856	893	0:SP-NON_SP2_SP2	Ga	N[6]	O	3:4:4:2:	3:3:4:	4:3:	N[6]-3:C-4:C-4:O-2:	C[6]-3:C[6]-3:Ga-4:	Ga-4:C-3:	Ga(N[6]C[6]2)(CH3)2(OC)	N[6](C[6]C[6]H)2(GaCCO)	O(GaN[6]CC)(CC[6a]O)	Ga(N[6]C[6]2)(CH3)2(OC)	N[6](C[6]C[6]H)2(GaCCO){1|C<3>,2|H<1>}	O(GaN[6]CC)(CC[6a]O)	90.5169	0.000	1	90.5169	0.000	1	90.5169	0.000	1	90.5169	0.000	1	90.5169	0.000	1	90.5169	0.000	1
984	856	924	0:SP-NON_SP-NON_SP2	Ga	N[6]	Br	3:1:1:1:	3:3:4:	4:	N[6]-3:Br-1:Br-1:Br-1:	C[6]-3:C[6]-3:Ga-4:	Ga-4:	Ga(N[6]C[6]2)(Br)3	N[6](C[6]C[6]H)2(GaBr3)	Br(GaN[6]Br2)	Ga(N[6]C[6]2)(Br)3	N[6](C[6]C[6]H)2(GaBr3){1|C<3>,2|H<1>}	Br(GaN[6]Br2)	105.5482	1.892	12	105.5482	3.581	12	105.5482	3.581	12	105.5482	3.581	12	105.5482	3.581	12	105.5482	3.581	12
984	856	944	0:SP-NON_SP-NON_SP2	Ga	N[6]	I	3:1:1:1:	3:3:4:	4:	N[6]-3:I-1:I-1:I-1:	C[6]-3:C[6]-3:Ga-4:	Ga-4:	Ga(N[6]C[6]2)(I)3	N[6](C[6]C[6]H)2(GaI3)	I(GaN[6]II)	Ga(N[6]C[6]2)(I)3	N[6](C[6]C[6]H)2(GaI3){1|C<3>,2|H<1>}	I(GaN[6]II)	105.4133	2.043	3	104.8187	2.948	6	104.8187	2.948	6	104.8187	2.948	6	104.8187	2.948	6	104.8187	2.948	6
984	856	944	0:SP-NON_SP-NON_SP2	Ga	N[6]	I	3:1:1:1:	3:3:4:	4:	N[6]-3:I-1:I-1:I-1:	C[6]-3:C[6]-3:Ga-4:	Ga-4:	Ga(N[6]C[6]2)(I)3	N[6](C[6]C[6]H)2(GaI3)	I(GaN[6]II)	Ga(N[6]C[6]2)(I)3	N[6](C[6]C[6]H)2(GaI3){1|N<2>,2|H<1>}	I(GaN[6]II)	104.2240	1.460	3	104.8187	2.948	6	104.8187	2.948	6	104.8187	2.948	6	104.8187	2.948	6	104.8187	2.948	6
984	856	951	0:SP-NON_SP-NON_SP2	Ga	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:Cl-1:Cl-1:H-1:	C[6]-3:C[6]-3:Ga-4:	Ga-4:	Ga(N[6]C[6]2)(Cl)2(H)	N[6](C[6]C[6]H)2(GaCl2H)	H(GaN[6]Cl2)	Ga(N[6]C[6]2)(Cl)2(H)	N[6](C[6]C[6]H)2(GaCl2H){1|C<3>,2|C<4>}	H(GaN[6]Cl2)	108.5440	0.000	1	110.0926	1.562	5	110.0926	1.562	5	105.5799	26.165	11	105.5799	26.165	11	105.5799	26.165	11
984	856	951	0:SP-NON_SP-NON_SP2	Ga	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:Cl-1:Cl-1:H-1:	C[6]-3:C[6]-3:Ga-4:	Ga-4:	Ga(N[6]C[6]2)(Cl)2(H)	N[6](C[6]C[6]H)2(GaCl2H)	H(GaN[6]Cl2)	Ga(N[6]C[6]2)(Cl)2(H)	N[6](C[6]C[6]H)2(GaCl2H){1|C<3>,2|H<1>}	H(GaN[6]Cl2)	110.4797	1.041	4	110.0926	1.562	5	110.0926	1.562	5	105.5799	26.165	11	105.5799	26.165	11	105.5799	26.165	11
984	856	951	0:SP-NON_SP-NON_SP2	Ga	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:Ga-4:	Ga-4:	Ga(N[6]C[6]2)(H)3	N[6](C[6]C[6]H)2(GaH3)	H(GaN[6]HH)	Ga(N[6]C[6]2)(H)3	N[6](C[6]C[6]H)2(GaH3){1|C<3>,2|C<4>}	H(GaN[6]HH)	101.8193	3.707	6	101.8193	13.746	6	101.8193	13.746	6	105.5799	26.165	11	105.5799	26.165	11	105.5799	26.165	11
984	856	983	0:SP-NON_SP1_SP2	Ga	N[6]	C	3:4:4:2:	3:3:4:	4:2:	N[6]-3:C-4:C-4:C-2:	C[6]-3:C[6]-3:Ga-4:	Ga-4:C-2:	Ga(N[6]C[6]2)(CCHH)2(CC)	N[6](C[6]C[6]C)2(GaC3)	C(GaN[6]CC)(CC[6a])	Ga(N[6]C[6]2)(CCHH)2(CC)	N[6](C[6]C[6]C)2(GaC3){1|C<3>,2|H<1>}	C(GaN[6]CC)(CC[6a])	105.3520	0.000	1	105.3520	0.000	1	105.3520	0.000	1	105.3520	0.000	1	105.3520	0.000	1	105.3520	0.000	1
984	863	893	0:SP-NON_SP2_SP3	Ga	O	O	2:2:2:1:	4:	4:4:	O-2:O-2:O-2:O-1:	Ga-4:	Ga-4:P-4:	Ga(OP)3(O)	O(GaO3)	O(GaO3)(PO3)	Ga(OP)3(O)	O(GaO3)	O(GaO3)(PO3)	108.8773	3.319	3	108.8773	11.016	3	108.8773	11.016	3	108.8773	11.016	3	108.8773	11.016	3	108.8773	11.016	3
984	871	892	0:SP-NON_SP3_SP3	Ga	O	N	2:4:3:1:	3:4:1:	4:4:4:4:	O-2:N-4:O-3:Cl-1:	C-3:Ga-4:H-1:	Ga-4:C-4:C-4:C-4:	Ga(OC[6a])(NC3)(OCH)(Cl)	O(CC[6a]H)(GaClNO)(H)	N(GaClOO)(CCHH)(CH3)2	Ga(OC[6a])(NC3)(OCH)(Cl)	O(CC[6a]H)(GaClNO)(H)	N(GaClOO)(CCHH)(CH3)2	97.8871	0.000	1	97.8871	0.000	1	97.8871	0.000	1	97.8871	0.000	1	97.8871	0.000	1	97.8871	0.000	1
984	871	893	0:SP-NON_SP2_SP3	Ga	O	O	2:4:3:1:	3:4:1:	3:4:	O-2:N-4:O-3:Cl-1:	C-3:Ga-4:H-1:	C[6a]-3:Ga-4:	Ga(OC[6a])(NC3)(OCH)(Cl)	O(CC[6a]H)(GaClNO)(H)	O(C[6a]C[6a]2)(GaClNO)	Ga(OC[6a])(NC3)(OCH)(Cl)	O(CC[6a]H)(GaClNO)(H)	O(C[6a]C[6a]2)(GaClNO)	115.3850	0.000	1	115.3850	0.000	1	115.3850	0.000	1	115.3850	0.000	1	119.5555	1476.238	10	119.5555	1476.238	10
984	871	893	0:SP-NON_SP2_SP3	Ga	O	O	3:2:2:2:	4:1:1:	3:4:	O-3:O-2:O-2:O-2:	Ga-4:H-1:H-1:	C-3:Ga-4:	Ga(OHH)(OC)3	O(GaO3)(H)2	O(CC[6a]O)(GaO3)	Ga(OHH)(OC)3	O(GaO3)(H)2	O(CC[6a]O)(GaO3)	92.8838	1.486	6	92.8838	2.208	6	92.8838	2.208	6	92.8838	2.208	6	119.5555	1476.238	10	119.5555	1476.238	10
984	871	893	0:SP-NON_SP2_SP3	Ga	O	O	3:2:2:2:	4:1:1:	4:3:	O-3:O-2:O-2:O-2:	Ga-4:H-1:H-1:	Ga-4:C-3:	Ga(OHH)(OC)3	O(GaO3)(H)2	O(GaO3)(CCO)	Ga(OHH)(OC)3	O(GaO3)(H)2	O(GaO3)(CCO)	174.2890	1.037	3	174.2890	1.076	3	174.2890	1.076	3	174.2890	1.076	3	119.5555	1476.238	10	119.5555	1476.238	10
984	871	930	0:SP-NON_SP2_SP3	Ga	O	C	3:3:1:1:	4:4:4:	3:4:4:	C-3:O-3:Cl-1:Cl-1:	Ga-4:C-4:C-4:	C-3:Ga-4:Si-4:	Ga(CSiC)(OCC)(Cl)2	O(GaCl2C)(CCHH)2	C(CC[6a]H)(GaCl2O)(SiC3)	Ga(CSiC)(OCC)(Cl)2	O(GaCl2C)(CCHH)2	C(CC[6a]H)(GaCl2O)(SiC3)	105.3373	3.167	3	105.3373	10.032	3	105.3373	10.032	3	105.3373	10.032	3	105.3373	10.032	3	105.3373	10.032	3
984	887	944	0:SP-NON_SP-NON_SP3	Ga	S	I	3:1:1:1:	4:4:4:	4:	S-3:I-1:I-1:I-1:	C-4:Ga-4:C-4:	Ga-4:	Ga(SCC)(I)3	S(CCHH)(GaI3)(CH3)	I(GaIIS)	Ga(SCC)(I)3	S(CCHH)(GaI3)(CH3)	I(GaIIS)	103.1323	3.604	3	103.1323	12.992	3	103.1323	12.992	3	103.1323	12.992	3	103.1323	12.992	3	103.1323	12.992	3
984	890	944	0:SP-NON_SP-NON_SP3	Ga	As	I	4:1:1:1:	3:3:4:4:	4:	As-4:I-1:I-1:I-1:	C[6a]-3:C[6a]-3:C-4:Ga-4:	Ga-4:	Ga(AsC[6a]2C)(I)3	As(C[6a]C[6a]2)2(CCHH)(GaI3)	I(GaAsII)	Ga(AsC[6a]2C)(I)3	As(C[6a]C[6a]2)2(CCHH)(GaI3)	I(GaAsII)	103.5973	3.052	6	103.5973	9.313	6	103.5973	9.313	6	103.5973	9.313	6	104.4175	8.262	15	104.4175	8.262	15
984	890	944	0:SP-NON_SP-NON_SP3	Ga	As	I	4:1:1:1:	4:4:4:4:	4:	As-4:I-1:I-1:I-1:	C-4:Ga-4:C-4:C-4:	Ga-4:	Ga(AsC3)(I)3	As(CCHH)(GaI3)(CH3)2	I(GaAsII)	Ga(AsC3)(I)3	As(CCHH)(GaI3)(CH3)2	I(GaAsII)	104.9643	2.792	9	104.9643	7.797	9	104.9643	7.797	9	104.9643	7.797	9	104.4175	8.262	15	104.4175	8.262	15
984	892	892	0:SP-NON_SP3_SP3	Ga	N	N	4:4:1:1:	4:4:1:1:	4:4:1:1:	N-4:N-4:H-1:H-1:	Ga-4:C-4:H-1:H-1:	Ga-4:C-4:H-1:H-1:	Ga(NCHH)2(H)2	N(GaHHN)(CC3)(H)2	N(GaHHN)(CC3)(H)2	Ga(NCHH)2(H)2	N(GaHHN)(CC3)(H)2	N(GaHHN)(CC3)(H)2	97.5547	0.000	1	97.5547	0.000	1	97.5547	0.000	1	97.5547	0.000	1	97.5547	0.000	1	97.5547	0.000	1
984	892	893	0:SP-NON_SP2_SP3	Ga	N	O	2:4:1:1:	4:4:4:4:	3:4:	O-2:N-4:Cl-1:Cl-1:	Ga-4:C-4:C-4:C-4:	C[6a]-3:Ga-4:	Ga(OC[6a])(NC3)(Cl)2	N(GaCl2O)(CCHH)(CH3)2	O(C[6a]C[6a]2)(GaCl2N)	Ga(OC[6a])(NC3)(Cl)2	N(GaCl2O)(CCHH)(CH3)2	O(C[6a]C[6a]2)(GaCl2N)	147.0990	0.891	2	147.0990	0.794	2	147.0990	0.794	2	147.0990	0.794	2	146.6597	0.976	3	146.6597	0.976	3
984	892	893	0:SP-NON_SP2_SP3	Ga	N	O	2:4:3:1:	4:4:4:4:	3:4:	O-2:N-4:O-3:Cl-1:	Ga-4:C-4:C-4:C-4:	C[6a]-3:Ga-4:	Ga(OC[6a])(NC3)(OCH)(Cl)	N(GaClOO)(CCHH)(CH3)2	O(C[6a]C[6a]2)(GaClNO)	Ga(OC[6a])(NC3)(OCH)(Cl)	N(GaClOO)(CCHH)(CH3)2	O(C[6a]C[6a]2)(GaClNO)	145.7810	0.000	1	145.7810	0.000	1	145.7810	0.000	1	145.7810	0.000	1	146.6597	0.976	3	146.6597	0.976	3
984	892	951	0:SP-NON_SP-NON_SP3	Ga	N	H	4:1:1:1:	4:4:1:1:	4:	N-4:H-1:H-1:H-1:	Ga-4:C-4:H-1:H-1:	Ga-4:	Ga(NCHH)(H)3	N(GaH3)(CH3)(H)2	H(GaHHN)	Ga(NCHH)(H)3	N(GaH3)(CH3)(H)2	H(GaHHN)	103.4780	1.747	3	103.4780	3.054	3	103.4780	3.054	3	103.4780	3.054	3	103.0607	15.569	14	103.0607	15.569	14
984	892	951	0:SP-NON_SP-NON_SP3	Ga	N	H	4:1:1:1:	4:4:4:1:	4:	N-4:H-1:H-1:H-1:	Ga-4:C-4:C-4:H-1:	Ga-4:	Ga(NCCH)(H)3	N(GaH3)(CH3)2(H)	H(GaHHN)	Ga(NCCH)(H)3	N(GaH3)(CH3)2(H)	H(GaHHN)	100.7679	1.854	6	100.7679	3.438	6	100.7679	3.438	6	100.7679	3.438	6	103.0607	15.569	14	103.0607	15.569	14
984	892	951	0:SP-NON_SP-NON_SP3	Ga	N	H	4:1:1:1:	4:4:4:4:	4:	N-4:H-1:H-1:H-1:	Ga-4:C-4:C-4:C-4:	Ga-4:	Ga(NC3)(H)3	N(GaH3)(CH3)3	H(GaHHN)	Ga(NC3)(H)3	N(GaH3)(CH3)3	H(GaHHN)	96.7151	0.000	1	96.7151	0.000	1	96.7151	0.000	1	96.7151	0.000	1	103.0607	15.569	14	103.0607	15.569	14
984	892	951	0:SP-NON_SP-NON_SP3	Ga	N	H	4:4:1:1:	4:4:1:1:	4:	N-4:N-4:H-1:H-1:	Ga-4:C-4:H-1:H-1:	Ga-4:	Ga(NCHH)2(H)2	N(GaHHN)(CC3)(H)2	H(GaHNN)	Ga(NCHH)2(H)2	N(GaHHN)(CC3)(H)2	H(GaHNN)	107.7733	2.445	4	107.7733	5.980	4	107.7733	5.980	4	107.7733	5.980	4	103.0607	15.569	14	103.0607	15.569	14
984	892	956	0:SP-NON_SP3_SP3	Ga	N	N	4:3:3:3:	4:1:1:1:	4:4:4:	N-4:N-3:N-3:N-3:	Ga-4:H-1:H-1:H-1:	S-4:C-4:Ga-4:	Ga(NH3)(NCS)3	N(GaN3)(H)3	N(SC[6a]OO)(CCHH)(GaN3)	Ga(NH3)(NCS)3	N(GaN3)(H)3	N(SC[6a]OO)(CCHH)(GaN3)	97.8357	0.000	1	97.8357	0.000	1	97.8357	0.000	1	97.8357	0.000	1	97.8357	0.000	1	97.8357	0.000	1
984	893	893	0:SP-NON_SP2_SP2	Ga	O	O	3:2:2:2:	3:4:	3:4:	O-3:O-2:O-2:O-2:	C-3:Ga-4:	C-3:Ga-4:	Ga(OHH)(OC)3	O(CC[6a]O)(GaO3)	O(CC[6a]O)(GaO3)	Ga(OHH)(OC)3	O(CC[6a]O)(GaO3)	O(CC[6a]O)(GaO3)	75.4047	0.727	2	75.4047	0.529	2	75.4047	0.529	2	75.4047	0.529	2	90.7194	67.923	12	90.7194	67.923	12
984	893	893	0:SP-NON_SP2_SP2	Ga	O	O	3:2:2:2:	3:4:	4:3:	O-3:O-2:O-2:O-2:	C-3:Ga-4:	Ga-4:C-3:	Ga(OHH)(OC)3	O(CC[6a]O)(GaO3)	O(GaO3)(CCO)	Ga(OHH)(OC)3	O(CC[6a]O)(GaO3)	O(GaO3)(CCO)	91.1477	0.831	6	91.1477	0.690	6	91.1477	0.690	6	91.1477	0.690	6	90.7194	67.923	12	90.7194	67.923	12
984	893	893	0:SP-NON_SP2_SP2	Ga	O	O	4:2:2:1:	3:4:	3:4:	Ga-4:O-2:O-2:I-1:	C[5]-3:Ga-4:	C[5]-3:Ga-4:	Ga(GaIOO)(OC[5])2(I)	O(C[5]N[5]2)(GaGaIO)	O(C[5]N[5]2)(GaGaIO)	Ga(GaIOO)(OC[5])2(I)	O(C[5]N[5]2)(GaGaIO)	O(C[5]N[5]2)(GaGaIO)	100.2685	1.442	2	100.2685	2.079	2	100.2685	2.079	2	100.2685	2.079	2	90.7194	67.923	12	90.7194	67.923	12
984	893	893	0:SP-NON_SP2_SP2	Ga	O	O	4:4:2:2:	3:4:	3:4:	C-4:C-4:O-2:O-2:	C-3:Ga-4:	C-3:Ga-4:	Ga(CH3)2(OC)2	O(CC[6a]O)(GaCCO)	O(CC[6a]O)(GaCCO)	Ga(CH3)2(OC)2	O(CC[6a]O)(GaCCO)	O(CC[6a]O)(GaCCO)	95.2002	6.956	2	95.2002	48.388	2	95.2002	48.388	2	95.2002	48.388	2	90.7194	67.923	12	90.7194	67.923	12
984	893	893	0:SP-NON_SP3_SP3	Ga	O	O	2:2:2:1:	4:4:	4:4:	O-2:O-2:O-2:O-1:	Ga-4:P-4:	Ga-4:P-4:	Ga(OP)3(O)	O(GaO3)(PO3)	O(GaO3)(PO3)	Ga(OP)3(O)	O(GaO3)(PO3)	O(GaO3)(PO3)	109.9670	2.290	3	109.9670	5.243	3	109.9670	5.243	3	109.9670	5.243	3	111.2202	92.972	29	111.2202	92.972	29
984	893	893	0:SP-NON_SP3_SP3	Ga	O	O	2:2:2:2:	4:3:	4:3:	O-2:O-2:O-2:O-2:	Ga-4:N-3:	Ga-4:N-3:	Ga(ON)4	O(GaO3)(NOO)	O(GaO3)(NOO)	Ga(ON)4	O(GaO3)(NOO)	O(GaO3)(NOO)	112.5823	12.287	10	112.5823	150.981	10	112.5823	150.981	10	112.5823	150.981	10	111.2202	92.972	29	111.2202	92.972	29
984	893	893	0:SP-NON_SP3_SP3	Ga	O	O	2:4:4:2:	4:4:	4:4:	O-2:C-4:C-4:O-2:	N[6]-4:Ga-4:	Ga-4:N-4:	Ga(ON[6])(CC3)2(ON)	O(N[6]Ga[6]C[6]C)(GaCCO)	O(GaCCO)(NCCH)	Ga(ON[6])(CC3)2(ON)	O(N[6]Ga[6]C[6]C)(GaCCO)	O(GaCCO)(NCCH)	91.0549	0.000	1	91.0549	0.000	1	91.0549	0.000	1	91.0549	0.000	1	111.2202	92.972	29	111.2202	92.972	29
984	893	893	0:SP-NON_SP3_SP3	Ga	O	O	3:2:2:1:	4:4:	4:4:	C[5]-3:O-2:O-2:H-1:	Ga-4:S-4:	Ga-4:S-4:	Ga(C[5]N[5]2)(OS)2(H)	O(GaC[5]HO)(SCOO)	O(GaC[5]HO)(SCOO)	Ga(C[5]N[5]2)(OS)2(H)	O(GaC[5]HO)(SCOO)	O(GaC[5]HO)(SCOO)	99.5683	0.000	1	99.5683	0.000	1	99.5683	0.000	1	99.5683	0.000	1	111.2202	92.972	29	111.2202	92.972	29
984	893	893	0:SP-NON_SP3_SP3	Ga	O	O	3:2:2:2:	4:4:	4:4:	O[5]-3:O-2:O-2:O-2:	Ga-4:Si-4:	Ga-4:Si-4:	Ga(O[5]C[5]2)(OSi)3	O(GaO[5]OO)(SiO3)	O(GaO[5]OO)(SiO3)	Ga(O[5]C[5]2)(OSi)3	O(GaO[5]OO)(SiO3)	O(GaO[5]OO)(SiO3)	115.4032	2.288	12	115.4032	5.235	12	115.4032	5.235	12	115.4032	5.235	12	111.2202	92.972	29	111.2202	92.972	29
984	893	893	0:SP-NON_SP3_SP3	Ga	O	O	4:4:2:2:	4:4:	4:4:	C-4:C-4:O-2:O-2:	P-4:Ga-4:	P-4:Ga-4:	Ga(CCHH)2(OP)2	O(PC[6a]2O)(GaCCO)	O(PC[6a]2O)(GaCCO)	Ga(CCHH)2(OP)2	O(PC[6a]2O)(GaCCO)	O(PC[6a]2O)(GaCCO)	97.1003	1.384	2	97.1003	1.916	2	97.1003	1.916	2	97.1003	1.916	2	111.2202	92.972	29	111.2202	92.972	29
984	893	916	0:SP-NON_SP3_SP3	Ga	O	O[5]	3:2:2:2:	4:4:	4:4:4:	O[5]-3:O-2:O-2:O-2:	Ga-4:Si-4:	C[5]-4:C[5]-4:Ga-4:	Ga(O[5]C[5]2)(OSi)3	O(GaO[5]OO)(SiO3)	O[5](C[5]C[5]HH)2(GaO3)	Ga(O[5]C[5]2)(OSi)3	O(GaO[5]OO)(SiO3)	O[5](C[5]C[5]HH)2(GaO3){4|H<1>}	102.5667	3.070	12	102.5667	9.426	12	102.5667	9.426	12	102.5667	9.426	12	102.5667	9.426	12	102.5667	9.426	12
984	893	944	0:SP-NON_SP-NON_SP2	Ga	O	I	2:1:1:1:	4:3:	4:	O-2:I-1:I-1:I-1:	Ga-4:C-3:	Ga-4:	Ga(OC)(I)3	O(GaI3)(CCO)	I(GaIIO)	Ga(OC)(I)3	O(GaI3)(CCO)	I(GaIIO)	104.1960	5.897	3	104.1960	34.770	3	104.1960	34.770	3	104.1960	34.770	3	101.7963	13.959	11	101.7963	13.959	11
984	893	944	0:SP-NON_SP-NON_SP2	Ga	O	I	4:2:1:1:	4:3:	4:	C-4:O-2:I-1:I-1:	Ga-4:C-3:	Ga-4:	Ga(CGaSiC)(OC)(I)2	O(GaCII)(CCC)	I(GaCIO)	Ga(CGaSiC)(OC)(I)2	O(GaCII)(CCC)	I(GaCIO)	101.8616	3.407	4	101.8616	11.606	4	101.8616	11.606	4	101.8616	11.606	4	101.7963	13.959	11	101.7963	13.959	11
984	893	944	0:SP-NON_SP-NON_SP2	Ga	O	I	4:2:2:1:	3:4:	4:	Ga-4:O-2:O-2:I-1:	C[5]-3:Ga-4:	Ga-4:	Ga(GaIOO)(OC[5])2(I)	O(C[5]N[5]2)(GaGaIO)	I(GaGaOO)	Ga(GaIOO)(OC[5])2(I)	O(C[5]N[5]2)(GaGaIO)	I(GaGaOO)	99.9313	1.158	4	99.9313	1.341	4	99.9313	1.341	4	99.9313	1.341	4	101.7963	13.959	11	101.7963	13.959	11
984	893	944	0:SP-NON_SP-NON_SP3	Ga	O	I	2:1:1:1:	4:4:	4:	O-2:I-1:I-1:I-1:	P[4]-4:Ga-4:	Ga-4:	Ga(OP[4])(I)3	O(P[4]C[4,5,5]C[4]H)(GaI3)	I(GaIIO)	Ga(OP[4])(I)3	O(P[4]C[4,5,5]C[4]H)(GaI3)	I(GaIIO)	103.8123	1.014	3	103.8123	1.029	3	103.8123	1.029	3	103.8123	1.029	3	103.8123	1.029	3	103.8123	1.029	3
984	893	951	0:SP-NON_SP-NON_SP3	Ga	O	H	3:2:2:1:	4:4:	4:	C[5]-3:O-2:O-2:H-1:	Ga-4:S-4:	Ga-4:	Ga(C[5]N[5]2)(OS)2(H)	O(GaC[5]HO)(SCOO)	H(GaC[5]OO)	Ga(C[5]N[5]2)(OS)2(H)	O(GaC[5]HO)(SCOO)	H(GaC[5]OO)	113.3130	3.200	2	113.3130	10.242	2	113.3130	10.242	2	113.3130	10.242	2	113.3130	10.242	2	113.3130	10.242	2
984	893	956	0:SP-NON_SP2_SP2	Ga	O	N	3:3:3:2:	4:3:	3:4:3:	C[6a]-3:C[6a]-3:N-3:O-2:	Ga-4:C-3:	C[6a]-3:Ga-4:C-3:	Ga(C[6a]C[6a]2)2(NC[6a]C)(OC)	O(GaC[6a]2N)(CC[6a]N)	N(C[6a]C[6a]2)(GaC[6a]2O)(CC[6a]O)	Ga(C[6a]C[6a]2)2(NC[6a]C)(OC)	O(GaC[6a]2N)(CC[6a]N)	N(C[6a]C[6a]2)(GaC[6a]2O)(CC[6a]O)	98.9936	0.000	1	98.9936	0.000	1	98.9936	0.000	1	98.9936	0.000	1	98.9936	0.000	1	98.9936	0.000	1
984	893	984	0:SP-NON_SP-NON_SP2	Ga	O	Ga	4:2:2:1:	3:4:	4:2:2:1:	Ga-4:O-2:O-2:I-1:	C[5]-3:Ga-4:	Ga-4:O-2:O-2:I-1:	Ga(GaIOO)(OC[5])2(I)	O(C[5]N[5]2)(GaGaIO)	Ga(GaIOO)(OC[5])2(I)	Ga(GaIOO)(OC[5])2(I)	O(C[5]N[5]2)(GaGaIO)	Ga(GaIOO)(OC[5])2(I)	116.8208	3.543	4	116.8208	12.551	4	116.8208	12.551	4	116.8208	12.551	4	116.8208	12.551	4	116.8208	12.551	4
984	900	900	0:SP-NON_SP-NON_SP-NON	Ga	Cl	Cl	3:3:2:2:	4:4:	4:4:	C[6a]-3:C[6a]-3:Cl-2:Cl-2:	Ga-4:Ga-4:	Ga-4:Ga-4:	Ga(C[6a]C[4,6a]C[6a])2(ClGa)2	Cl(GaC[6a]2Cl)2	Cl(GaC[6a]2Cl)2	Ga(C[6a]C[4,6a]C[6a])2(ClGa)2	Cl(GaC[6a]2Cl)2	Cl(GaC[6a]2Cl)2	99.1428	2.624	3	99.1428	6.883	3	99.1428	6.883	3	99.1428	6.883	3	99.1428	6.883	3	99.1428	6.883	3
984	909	909	0:SP-NON_SP2_SP2	Ga	S	S	2:2:1:1:	3:4:	3:4:	S-2:S-2:Br-1:Br-1:	C[5]-3:Ga-4:	C[5]-3:Ga-4:	Ga(SC[5])2(Br)2	S(C[5]N[5]2)(GaBr2S)	S(C[5]N[5]2)(GaBr2S)	Ga(SC[5])2(Br)2	S(C[5]N[5]2)(GaBr2S)	S(C[5]N[5]2)(GaBr2S)	111.2910	0.000	1	111.2910	0.000	1	111.2910	0.000	1	113.3580	5.144	4	106.6009	35.120	43	106.6009	35.120	43
984	909	909	0:SP-NON_SP2_SP2	Ga	S	S	2:2:1:1:	3:4:	3:4:	S-2:S-2:Cl-1:Cl-1:	C[5]-3:Ga-4:	C[5]-3:Ga-4:	Ga(SC[5])2(Cl)2	S(C[5]N[5]2)(GaCl2S)	S(C[5]N[5]2)(GaCl2S)	Ga(SC[5])2(Cl)2	S(C[5]N[5]2)(GaCl2S)	S(C[5]N[5]2)(GaCl2S)	111.6150	0.000	1	111.6150	0.000	1	111.6150	0.000	1	113.3580	5.144	4	106.6009	35.120	43	106.6009	35.120	43
984	909	909	0:SP-NON_SP2_SP2	Ga	S	S	2:2:1:1:	3:4:	3:4:	S-2:S-2:I-1:I-1:	C[5]-3:Ga-4:	C[5]-3:Ga-4:	Ga(SC[5])2(I)2	S(C[5]N[5]2)(GaIIS)	S(C[5]N[5]2)(GaIIS)	Ga(SC[5])2(I)2	S(C[5]N[5]2)(GaIIS)	S(C[5]N[5]2)(GaIIS)	115.2630	0.929	2	115.2630	0.863	2	115.2630	0.863	2	113.3580	5.144	4	106.6009	35.120	43	106.6009	35.120	43
984	909	909	0:SP-NON_SP2_SP2	Ga	S	S	2:2:2:1:	3:4:	3:4:	S-2:S-2:S-2:Cl-1:	C[5]-3:Ga-4:	C[5]-3:Ga-4:	Ga(SC[5])3(Cl)	S(C[5]N[5]2)(GaClSS)	S(C[5]N[5]2)(GaClSS)	Ga(SC[5])3(Cl)	S(C[5]N[5]2)(GaClSS)	S(C[5]N[5]2)(GaClSS)	107.8382	1.680	9	107.8382	2.823	9	107.8382	2.823	9	107.6498	2.630	12	106.6009	35.120	43	106.6009	35.120	43
984	909	909	0:SP-NON_SP2_SP2	Ga	S	S	2:2:2:1:	3:4:	3:4:	S-2:S-2:S-2:I-1:	C[5]-3:Ga-4:	C[5]-3:Ga-4:	Ga(SC[5])3(I)	S(C[5]N[5]2)(GaISS)	S(C[5]N[5]2)(GaISS)	Ga(SC[5])3(I)	S(C[5]N[5]2)(GaISS)	S(C[5]N[5]2)(GaISS)	107.0847	1.592	3	107.0847	2.534	3	107.0847	2.534	3	107.6498	2.630	12	106.6009	35.120	43	106.6009	35.120	43
984	909	909	0:SP-NON_SP2_SP2	Ga	S	S	2:2:2:2:	3:4:	3:4:	S-2:S-2:S-2:S-2:	C[5]-3:Ga-4:	C[5]-3:Ga-4:	Ga(SC[5])3(SGa)	S(C[5]N[5]2)(GaS3)	S(C[5]N[5]2)(GaS3)	Ga(SC[5])3(SGa)	S(C[5]N[5]2)(GaS3)	S(C[5]N[5]2)(GaS3)	105.3023	2.275	3	105.3023	5.176	3	105.3023	5.176	3	107.1486	113.721	9	106.6009	35.120	43	106.6009	35.120	43
984	909	909	0:SP-NON_SP2_SP2	Ga	S	S	2:2:2:2:	3:4:	3:4:	S-2:S-2:S-2:S-2:	C[6a]-3:Ga-4:	C[6a]-3:Ga-4:	Ga(SC[6a])4	S(C[6a]C[6a]2)(GaS3)	S(C[6a]C[6a]2)(GaS3)	Ga(SC[6a])4	S(C[6a]C[6a]2)(GaS3)	S(C[6a]C[6a]2)(GaS3)	108.0718	13.297	6	108.0718	176.815	6	108.0718	176.815	6	107.1486	113.721	9	106.6009	35.120	43	106.6009	35.120	43
984	909	909	0:SP-NON_SP2_SP2	Ga	S	S	2:2:2:4:	3:4:	3:4:	S-2:S-2:S-2:C-4:	C[6a]-3:Ga-4:	C[6a]-3:Ga-4:	Ga(SC[6a])3(CH3)	S(C[6a]C[6a]2)(GaCSS)	S(C[6a]C[6a]2)(GaCSS)	Ga(SC[6a])3(CH3)	S(C[6a]C[6a]2)(GaCSS)	S(C[6a]C[6a]2)(GaCSS)	103.6983	1.770	3	103.6983	3.133	3	103.6983	3.133	3	103.9121	1.549	10	106.6009	35.120	43	106.6009	35.120	43
984	909	909	0:SP-NON_SP2_SP2	Ga	S	S	2:2:2:4:	3:4:	3:4:	S-2:S-2:S-2:Ga-4:	C[5]-3:Ga-4:	C[5]-3:Ga-4:	Ga(SC[5])3(GaI3)	S(C[5]N[5]2)(GaGaSS)	S(C[5]N[5]2)(GaGaSS)	Ga(SC[5])3(GaI3)	S(C[5]N[5]2)(GaGaSS)	S(C[5]N[5]2)(GaGaSS)	103.9363	1.458	3	103.9363	2.125	3	104.0037	1.247	7	103.9121	1.549	10	106.6009	35.120	43	106.6009	35.120	43
984	909	909	0:SP-NON_SP2_SP2	Ga	S	S	2:2:2:4:	3:4:	3:4:	S-2:S-2:S-2:Ga-4:	C[5]-3:Ga-4:	C[5]-3:Ga-4:	Ga(SC[5])3(GaS3)	S(C[5]N[5]2)(GaGaSS)	S(C[5]N[5]2)(GaGaSS)	Ga(SC[5])3(GaS3)	S(C[5]N[5]2)(GaGaSS)	S(C[5]N[5]2)(GaGaSS)	104.0542	1.035	4	104.0542	1.071	4	104.0037	1.247	7	103.9121	1.549	10	106.6009	35.120	43	106.6009	35.120	43
984	909	909	0:SP-NON_SP2_SP2	Ga	S	S	2:2:4:4:	3:4:	3:4:	S-2:S-2:C-4:C-4:	C[6a]-3:Ga-4:	C[6a]-3:Ga-4:	Ga(SC[6a])2(CH3)2	S(C[6a]C[6a]2)(GaCCS)	S(C[6a]C[6a]2)(GaCCS)	Ga(SC[6a])2(CH3)2	S(C[6a]C[6a]2)(GaCCS)	S(C[6a]C[6a]2)(GaCCS)	112.6750	0.000	1	112.6750	0.000	1	112.6750	0.000	1	112.6750	0.000	1	106.6009	35.120	43	106.6009	35.120	43
984	909	909	0:SP-NON_SP2_SP2	Ga	S	S	4:2:2:1:	3:4:	3:4:	Ga-4:S-2:S-2:I-1:	C[5]-3:Ga-4:	C[5]-3:Ga-4:	Ga(GaISS)(SC[5])2(I)	S(C[5]N[5]2)(GaGaIS)	S(C[5]N[5]2)(GaGaIS)	Ga(GaISS)(SC[5])2(I)	S(C[5]N[5]2)(GaGaIS)	S(C[5]N[5]2)(GaGaIS)	109.4480	0.477	2	109.4480	0.227	2	109.4480	0.227	2	109.4480	0.227	2	106.6009	35.120	43	106.6009	35.120	43
984	909	909	0:SP-NON_SP2_SP2	Ga	S	S	4:2:2:2:	3:4:	3:4:	B-4:S-2:S-2:S-2:	C[5]-3:Ga-4:	C[5]-3:Ga-4:	Ga(BC[6a]3)(SC[5])3	S(C[5]N[5]2)(GaBSS)	S(C[5]N[5]2)(GaBSS)	Ga(BC[6a]3)(SC[5])3	S(C[5]N[5]2)(GaBSS)	S(C[5]N[5]2)(GaBSS)	100.7156	1.549	5	100.7156	2.400	5	100.7156	2.400	5	100.7156	2.400	5	106.6009	35.120	43	106.6009	35.120	43
984	909	909	0:SP-NON_SP2_SP3	Ga	S	S	2:2:2:2:	3:4:	4:4:	S-2:S-2:S-2:S-2:	C[5]-3:Ga-4:	Ga-4:Ga-4:	Ga(SC[5])3(SGa)	S(C[5]N[5]2)(GaS3)	S(GaCl3)(GaS3)	Ga(SC[5])3(SGa)	S(C[5]N[5]2)(GaS3)	S(GaCl3)(GaS3)	113.1953	7.597	3	113.1953	57.713	3	113.1953	57.713	3	113.1953	57.713	3	113.1953	57.713	3	113.1953	57.713	3
984	909	924	0:SP-NON_SP-NON_SP2	Ga	S	Br	2:2:1:1:	3:4:	4:	S-2:S-2:Br-1:Br-1:	C[5]-3:Ga-4:	Ga-4:	Ga(SC[5])2(Br)2	S(C[5]N[5]2)(GaBr2S)	Br(GaBrSS)	Ga(SC[5])2(Br)2	S(C[5]N[5]2)(GaBr2S)	Br(GaBrSS)	108.2825	2.061	4	108.2825	4.246	4	108.2825	4.246	4	108.2825	4.246	4	108.2825	4.246	4	108.2825	4.246	4
984	909	944	0:SP-NON_SP-NON_SP2	Ga	S	I	2:2:1:1:	3:4:	4:	S-2:S-2:I-1:I-1:	C[5]-3:Ga-4:	Ga-4:	Ga(SC[5])2(I)2	S(C[5]N[5]2)(GaIIS)	I(GaISS)	Ga(SC[5])2(I)2	S(C[5]N[5]2)(GaIIS)	I(GaISS)	106.3847	3.027	4	106.3847	9.161	4	106.3847	9.161	4	106.3847	9.161	4	107.5737	16.715	10	107.5737	16.715	10
984	909	944	0:SP-NON_SP-NON_SP2	Ga	S	I	2:2:2:1:	3:4:	4:	S-2:S-2:S-2:I-1:	C[5]-3:Ga-4:	Ga-4:	Ga(SC[5])3(I)	S(C[5]N[5]2)(GaISS)	I(GaS3)	Ga(SC[5])3(I)	S(C[5]N[5]2)(GaISS)	I(GaS3)	111.7760	2.020	3	111.7760	4.080	3	111.7760	4.080	3	111.7760	4.080	3	107.5737	16.715	10	107.5737	16.715	10
984	909	944	0:SP-NON_SP-NON_SP2	Ga	S	I	4:2:2:1:	3:4:	4:	Ga-4:S-2:S-2:I-1:	C[5]-3:Ga-4:	Ga-4:	Ga(GaISS)(SC[5])2(I)	S(C[5]N[5]2)(GaGaIS)	I(GaGaSS)	Ga(GaISS)(SC[5])2(I)	S(C[5]N[5]2)(GaGaIS)	I(GaGaSS)	104.9567	4.220	3	104.9567	17.807	3	104.9567	17.807	3	104.9567	17.807	3	107.5737	16.715	10	107.5737	16.715	10
984	909	984	0:SP-NON_SP-NON_SP2	Ga	S	Ga	2:2:2:4:	3:4:	2:2:2:4:	S-2:S-2:S-2:Ga-4:	C[5]-3:Ga-4:	S-2:S-2:S-2:Ga-4:	Ga(SC[5])3(GaS3)	S(C[5]N[5]2)(GaGaSS)	Ga(SC[5])3(GaS3)	Ga(SC[5])3(GaS3)	S(C[5]N[5]2)(GaGaSS)	Ga(SC[5])3(GaS3)	114.4475	1.005	4	114.4475	1.011	4	114.4475	1.011	4	114.4475	1.011	4	113.4639	19.249	10	113.4639	19.249	10
984	909	984	0:SP-NON_SP-NON_SP2	Ga	S	Ga	2:2:2:4:	3:4:	4:1:1:1:	S-2:S-2:S-2:Ga-4:	C[5]-3:Ga-4:	Ga-4:I-1:I-1:I-1:	Ga(SC[5])3(GaI3)	S(C[5]N[5]2)(GaGaSS)	Ga(GaS3)(I)3	Ga(SC[5])3(GaI3)	S(C[5]N[5]2)(GaGaSS)	Ga(GaS3)(I)3	114.4693	8.056	3	114.4693	64.903	3	114.4693	64.903	3	114.4693	64.903	3	113.4639	19.249	10	113.4639	19.249	10
984	909	984	0:SP-NON_SP-NON_SP2	Ga	S	Ga	4:2:2:1:	3:4:	4:2:2:1:	Ga-4:S-2:S-2:I-1:	C[5]-3:Ga-4:	Ga-4:S-2:S-2:I-1:	Ga(GaISS)(SC[5])2(I)	S(C[5]N[5]2)(GaGaIS)	Ga(GaISS)(SC[5])2(I)	Ga(GaISS)(SC[5])2(I)	S(C[5]N[5]2)(GaGaIS)	Ga(GaISS)(SC[5])2(I)	111.1470	2.949	3	111.1470	8.696	3	111.1470	8.696	3	111.1470	8.696	3	113.4639	19.249	10	113.4639	19.249	10
984	916	924	0:SP-NON_SP-NON_SP3	Ga	O[5]	Br	3:3:1:1:	4:4:4:	4:	B[5a]-3:O[5]-3:Br-1:Br-1:	C[5]-4:C[5]-4:Ga-4:	Ga-4:	Ga(B[5a]N[5a]2)(O[5]C[5]2)(Br)2	O[5](C[5]C[5]HH)2(GaB[5a]Br2)	Br(GaB[5a]O[5]Br)	Ga(B[5a]N[5a]2)(O[5]C[5]2)(Br)2	O[5](C[5]C[5]HH)2(GaB[5a]Br2){4|H<1>}	Br(GaB[5a]O[5]Br)	97.9010	0.167	2	97.9010	0.028	2	97.9010	0.028	2	97.9010	0.028	2	97.9010	0.028	2	97.9010	0.028	2
984	916	944	0:SP-NON_SP-NON_SP3	Ga	O[5]	I	3:1:1:1:	4:4:4:	4:	O[5]-3:I-1:I-1:I-1:	C[5]-4:C[5]-4:Ga-4:	Ga-4:	Ga(O[5]C[5]2)(I)3	O[5](C[5]C[5]HH)2(GaI3)	I(GaO[5]II)	Ga(O[5]C[5]2)(I)3	O[5](C[5]C[5]HH)2(GaI3){4|H<1>}	I(GaO[5]II)	103.1910	0.855	3	103.1910	0.731	3	103.1910	0.731	3	103.1910	0.731	3	103.1910	0.731	3	103.1910	0.731	3
984	916	956	0:SP-NON_SP3_SP3	Ga	O[5]	N	3:3:4:1:	4:4:4:	4:4:4:	O[5]-3:N-3:C-4:Cl-1:	Ga[5]-4:C[5]-4:Ga-4:	Ga-4:Si-4:Si-4:	Ga(O[5]Ga[5]C[5])(NSi2)(CH3)(Cl)	O[5](Ga[5]N[5]ClC)(C[5]C[5]HH)(GaClCN)	N(GaO[5]ClC)(SiC3)2	Ga(O[5]Ga[5]C[5])(NSi2)(CH3)(Cl)	O[5](Ga[5]N[5]ClC)(C[5]C[5]HH)(GaClCN){2|C<4>,2|H<1>}	N(GaO[5]ClC)(SiC3)2	108.2880	0.000	1	108.2880	0.000	1	108.2880	0.000	1	108.2880	0.000	1	108.2880	0.000	1	108.2880	0.000	1
984	921	921	0:SP-NON_SP3_SP3	Ga	Se	Se	2:2:4:4:	3:4:	3:4:	Se-2:Se-2:C-4:C-4:	C[6a]-3:Ga-4:	C[6a]-3:Ga-4:	Ga(SeC[6a])2(CH3)2	Se(C[6a]C[6a]2)(GaSeCC)	Se(C[6a]C[6a]2)(GaSeCC)	Ga(SeC[6a])2(CH3)2	Se(C[6a]C[6a]2)(GaSeCC)	Se(C[6a]C[6a]2)(GaSeCC)	112.1710	0.000	1	112.1710	0.000	1	112.1710	0.000	1	112.1710	0.000	1	112.1710	0.000	1	112.1710	0.000	1
984	924	924	0:SP-NON_SP-NON_SP-NON	Ga	Br	Br	1:1:1:1:	4:	4:	Br-1:Br-1:Br-1:Br-1:	Ga-4:	Ga-4:	Ga(Br)4	Br(GaBr3)	Br(GaBr3)	Ga(Br)4	Br(GaBr3)	Br(GaBr3)	109.4644	1.498	100	109.4644	2.243	100	109.4644	2.243	100	109.4644	2.243	100	109.8040	4.237	121	109.8040	4.237	121
984	924	924	0:SP-NON_SP-NON_SP-NON	Ga	Br	Br	2:2:1:1:	4:	4:	S-2:S-2:Br-1:Br-1:	Ga-4:	Ga-4:	Ga(SC[5])2(Br)2	Br(GaBrSS)	Br(GaBrSS)	Ga(SC[5])2(Br)2	Br(GaBrSS)	Br(GaBrSS)	112.3980	0.000	1	112.3980	0.000	1	112.3980	0.000	1	112.3980	0.000	1	109.8040	4.237	121	109.8040	4.237	121
984	924	924	0:SP-NON_SP-NON_SP-NON	Ga	Br	Br	3:1:1:1:	4:	4:	C[5]-3:Br-1:Br-1:Br-1:	Ga-4:	Ga-4:	Ga(C[5]N[5,5]2)(Br)3	Br(GaC[5]Br2)	Br(GaC[5]Br2)	Ga(C[5]N[5,5]2)(Br)3	Br(GaC[5]Br2)	Br(GaC[5]Br2)	106.5583	3.271	3	106.5583	10.699	3	106.5583	10.699	3	111.7575	12.688	15	109.8040	4.237	121	109.8040	4.237	121
984	924	924	0:SP-NON_SP-NON_SP-NON	Ga	Br	Br	3:1:1:1:	4:	4:	N[6]-3:Br-1:Br-1:Br-1:	Ga-4:	Ga-4:	Ga(N[6]C[6]2)(Br)3	Br(GaN[6]Br2)	Br(GaN[6]Br2)	Ga(N[6]C[6]2)(Br)3	Br(GaN[6]Br2)	Br(GaN[6]Br2)	113.0572	2.233	12	113.0572	4.988	12	113.0572	4.988	12	111.7575	12.688	15	109.8040	4.237	121	109.8040	4.237	121
984	924	924	0:SP-NON_SP-NON_SP-NON	Ga	Br	Br	3:3:1:1:	4:	4:	B[5a]-3:O[5]-3:Br-1:Br-1:	Ga-4:	Ga-4:	Ga(B[5a]N[5a]2)(O[5]C[5]2)(Br)2	Br(GaB[5a]O[5]Br)	Br(GaB[5a]O[5]Br)	Ga(B[5a]N[5a]2)(O[5]C[5]2)(Br)2	Br(GaB[5a]O[5]Br)	Br(GaB[5a]O[5]Br)	109.2720	0.000	1	109.2720	0.000	1	109.2720	0.000	1	109.2720	0.000	1	109.8040	4.237	121	109.8040	4.237	121
984	924	924	0:SP-NON_SP-NON_SP-NON	Ga	Br	Br	4:1:1:1:	4:	4:	P-4:Br-1:Br-1:Br-1:	Ga-4:	Ga-4:	Ga(PC3)(Br)3	Br(GaBr2P)	Br(GaBr2P)	Ga(PC3)(Br)3	Br(GaBr2P)	Br(GaBr2P)	111.8797	1.837	3	111.8797	3.375	3	111.8797	3.375	3	111.8797	3.375	3	109.8040	4.237	121	109.8040	4.237	121
984	924	924	0:SP-NON_SP-NON_SP-NON	Ga	Br	Br	4:4:1:1:	4:	4:	Ga-4:P-4:Br-1:Br-1:	Ga-4:	Ga-4:	Ga(GaBr2P)(PC3)(Br)2	Br(GaBrGaP)	Br(GaBrGaP)	Ga(GaBr2P)(PC3)(Br)2	Br(GaBrGaP)	Br(GaBrGaP)	106.1650	0.000	1	106.1650	0.000	1	106.1650	0.000	1	106.1650	0.000	1	109.8040	4.237	121	109.8040	4.237	121
984	924	984	0:SP-NON_SP-NON_SP-NON	Ga	Br	Ga	4:4:1:1:	4:	4:4:1:1:	Ga-4:P-4:Br-1:Br-1:	Ga-4:	Ga-4:P-4:Br-1:Br-1:	Ga(GaBr2P)(PC3)(Br)2	Br(GaBrGaP)	Ga(GaBr2P)(PC3)(Br)2	Ga(GaBr2P)(PC3)(Br)2	Br(GaBrGaP)	Ga(GaBr2P)(PC3)(Br)2	113.7165	0.851	2	113.7165	0.724	2	113.7165	0.724	2	113.7165	0.724	2	113.7165	0.724	2	113.7165	0.724	2
984	924	992	0:SP-NON_SP-NON_SP3	Ga	Br	P	4:1:1:1:	4:	4:4:4:4:	P-4:Br-1:Br-1:Br-1:	Ga-4:	Ga-4:C-4:C-4:C-4:	Ga(PC3)(Br)3	Br(GaBr2P)	P(GaBr3)(CCHH)3	Ga(PC3)(Br)3	Br(GaBr2P)	P(GaBr3)(CCHH)3	106.8930	3.497	3	106.8930	12.228	3	106.8930	12.228	3	106.8930	12.228	3	104.9622	13.153	5	104.9622	13.153	5
984	924	992	0:SP-NON_SP-NON_SP3	Ga	Br	P	4:4:1:1:	4:	4:4:4:4:	Ga-4:P-4:Br-1:Br-1:	Ga-4:	Ga-4:C-4:C-4:C-4:	Ga(GaBr2P)(PC3)(Br)2	Br(GaBrGaP)	P(GaBr2Ga)(CCHH)3	Ga(GaBr2P)(PC3)(Br)2	Br(GaBrGaP)	P(GaBr2Ga)(CCHH)3	102.0660	0.443	2	102.0660	0.196	2	102.0660	0.196	2	102.0660	0.196	2	104.9622	13.153	5	104.9622	13.153	5
984	941	951	0:SP-NON_SP-NON_SP2	Ga	N	H	2:1:1:1:	4:3:	4:	N-2:H-1:H-1:H-1:	Ga-4:C-3:	Ga-4:	Ga(NC)(H)3	N(GaH3)(CNN)	H(GaHHN)	Ga(NC)(H)3	N(GaH3)(CNN)	H(GaHHN)	104.7035	5.210	3	104.7035	27.149	3	104.7035	27.149	3	104.7035	27.149	3	104.7035	27.149	3	104.7035	27.149	3
984	942	943	0:SP-NON_SP-NON_SP-NON	Ga	Ga[6]	Ga[6]	4:3:3:1:	3:3:4:	3:3:4:1:	Ga[6]-4:Ga[6]-3:Ga-3:I-1:	N[6]-3:N[6]-3:Ga-4:	N[6]-3:N[6]-3:Ga-4:I-1:	Ga(Ga[6]N[6]2I)(Ga[6]N[6]2)(GaGa[6]I)(I)	Ga[6](N[6]C[6a]C[6])2(GaGa[6]GaI)	Ga[6](N[6]C[6a]C[6])2(GaGa[6]GaI)(I)	Ga(Ga[6]N[6]2I)(Ga[6]N[6]2)(GaGa[6]I)(I)	Ga[6](N[6]C[6a]C[6])2(GaGa[6]GaI){2|C<4>,5|C<3>}	Ga[6](N[6]C[6a]C[6])2(GaGa[6]GaI)(I){2|C<4>,5|C<3>}	125.2630	0.000	1	125.2630	0.000	1	125.2630	0.000	1	125.2630	0.000	1	125.2630	0.000	1	125.2630	0.000	1
984	942	944	0:SP-NON_SP-NON_SP-NON	Ga	Ga[6]	I	4:3:3:1:	3:3:4:	4:	Ga[6]-4:Ga[6]-3:Ga-3:I-1:	N[6]-3:N[6]-3:Ga-4:	Ga-4:	Ga(Ga[6]N[6]2I)(Ga[6]N[6]2)(GaGa[6]I)(I)	Ga[6](N[6]C[6a]C[6])2(GaGa[6]GaI)	I(GaGa[6]2Ga)	Ga(Ga[6]N[6]2I)(Ga[6]N[6]2)(GaGa[6]I)(I)	Ga[6](N[6]C[6a]C[6])2(GaGa[6]GaI){2|C<4>,5|C<3>}	I(GaGa[6]2Ga)	99.6432	0.000	1	99.6432	0.000	1	99.6432	0.000	1	99.6432	0.000	1	99.6432	0.000	1	99.6432	0.000	1
984	942	969	0:SP-NON_SP-NON_SP-NON	Ga	Ga[6]	Ga	4:3:3:1:	3:3:4:	4:4:1:	Ga[6]-4:Ga[6]-3:Ga-3:I-1:	N[6]-3:N[6]-3:Ga-4:	Ga[6]-4:Ga-4:I-1:	Ga(Ga[6]N[6]2I)(Ga[6]N[6]2)(GaGa[6]I)(I)	Ga[6](N[6]C[6a]C[6])2(GaGa[6]GaI)	Ga(Ga[6]N[6]2I)(GaGa[6]2I)(I)	Ga(Ga[6]N[6]2I)(Ga[6]N[6]2)(GaGa[6]I)(I)	Ga[6](N[6]C[6a]C[6])2(GaGa[6]GaI){2|C<4>,5|C<3>}	Ga(Ga[6]N[6]2I)(GaGa[6]2I)(I)	92.8852	0.000	1	92.8852	0.000	1	92.8852	0.000	1	92.8852	0.000	1	92.8852	0.000	1	92.8852	0.000	1
984	943	944	0:SP-NON_SP-NON_SP-NON	Ga	Ga[6]	I	4:3:3:1:	3:3:4:1:	4:	Ga[6]-4:Ga[6]-3:Ga-3:I-1:	N[6]-3:N[6]-3:Ga-4:I-1:	Ga-4:	Ga(Ga[6]N[6]2I)(Ga[6]N[6]2)(GaGa[6]I)(I)	Ga[6](N[6]C[6a]C[6])2(GaGa[6]GaI)(I)	I(GaGa[6]2Ga)	Ga(Ga[6]N[6]2I)(Ga[6]N[6]2)(GaGa[6]I)(I)	Ga[6](N[6]C[6a]C[6])2(GaGa[6]GaI)(I){2|C<4>,5|C<3>}	I(GaGa[6]2Ga)	110.5110	0.000	1	110.5110	0.000	1	110.5110	0.000	1	110.5110	0.000	1	110.5110	0.000	1	110.5110	0.000	1
984	943	969	0:SP-NON_SP-NON_SP-NON	Ga	Ga[6]	Ga	4:3:3:1:	3:3:4:1:	4:4:1:	Ga[6]-4:Ga[6]-3:Ga-3:I-1:	N[6]-3:N[6]-3:Ga-4:I-1:	Ga[6]-4:Ga-4:I-1:	Ga(Ga[6]N[6]2I)(Ga[6]N[6]2)(GaGa[6]I)(I)	Ga[6](N[6]C[6a]C[6])2(GaGa[6]GaI)(I)	Ga(Ga[6]N[6]2I)(GaGa[6]2I)(I)	Ga(Ga[6]N[6]2I)(Ga[6]N[6]2)(GaGa[6]I)(I)	Ga[6](N[6]C[6a]C[6])2(GaGa[6]GaI)(I){2|C<4>,5|C<3>}	Ga(Ga[6]N[6]2I)(GaGa[6]2I)(I)	140.7220	0.000	1	140.7220	0.000	1	140.7220	0.000	1	140.7220	0.000	1	140.7220	0.000	1	140.7220	0.000	1
984	944	944	0:SP-NON_SP-NON_SP-NON	Ga	I	I	1:1:1:1:	4:	4:	I-1:I-1:I-1:I-1:	Ga-4:	Ga-4:	Ga(I)4	I(GaI3)	I(GaI3)	Ga(I)4	I(GaI3)	I(GaI3)	109.4554	2.275	46	109.4554	5.178	46	109.4554	5.178	46	109.4554	5.178	46	110.9660	11.914	97	110.9660	11.914	97
984	944	944	0:SP-NON_SP-NON_SP-NON	Ga	I	I	2:1:1:1:	4:	4:	Ga-2:I-1:I-1:I-1:	Ga-4:	Ga-4:	Ga(GaC[5])(I)3	I(GaGaII)	I(GaGaII)	Ga(GaC[5])(I)3	I(GaGaII)	I(GaGaII)	111.3127	1.854	3	111.3127	3.435	3	111.3127	3.435	3	113.3231	3.613	9	110.9660	11.914	97	110.9660	11.914	97
984	944	944	0:SP-NON_SP-NON_SP-NON	Ga	I	I	2:1:1:1:	4:	4:	O-2:I-1:I-1:I-1:	Ga-4:	Ga-4:	Ga(OC)(I)3	I(GaIIO)	I(GaIIO)	Ga(OC)(I)3	I(GaIIO)	I(GaIIO)	114.1750	0.717	3	114.1750	0.514	3	114.3283	0.770	6	113.3231	3.613	9	110.9660	11.914	97	110.9660	11.914	97
984	944	944	0:SP-NON_SP-NON_SP-NON	Ga	I	I	2:1:1:1:	4:	4:	O-2:I-1:I-1:I-1:	Ga-4:	Ga-4:	Ga(OP[4])(I)3	I(GaIIO)	I(GaIIO)	Ga(OP[4])(I)3	I(GaIIO)	I(GaIIO)	114.4817	1.157	3	114.4817	1.339	3	114.3283	0.770	6	113.3231	3.613	9	110.9660	11.914	97	110.9660	11.914	97
984	944	944	0:SP-NON_SP-NON_SP-NON	Ga	I	I	2:2:1:1:	4:	4:	S-2:S-2:I-1:I-1:	Ga-4:	Ga-4:	Ga(SC[5])2(I)2	I(GaISS)	I(GaISS)	Ga(SC[5])2(I)2	I(GaISS)	I(GaISS)	116.2125	5.049	2	116.2125	25.497	2	116.2125	25.497	2	116.2125	25.497	2	110.9660	11.914	97	110.9660	11.914	97
984	944	944	0:SP-NON_SP-NON_SP-NON	Ga	I	I	3:1:1:1:	4:	4:	C[5]-3:I-1:I-1:I-1:	Ga-4:	Ga-4:	Ga(C[5]N[5,5]2)(I)3	I(GaC[5]II)	I(GaC[5]II)	Ga(C[5]N[5,5]2)(I)3	I(GaC[5]II)	I(GaC[5]II)	105.7537	4.999	3	105.7537	24.989	3	105.7537	24.989	3	112.5359	19.578	14	110.9660	11.914	97	110.9660	11.914	97
984	944	944	0:SP-NON_SP-NON_SP-NON	Ga	I	I	3:1:1:1:	4:	4:	N[6]-3:I-1:I-1:I-1:	Ga-4:	Ga-4:	Ga(N[6]C[6]2)(I)3	I(GaN[6]II)	I(GaN[6]II)	Ga(N[6]C[6]2)(I)3	I(GaN[6]II)	I(GaN[6]II)	113.6867	1.637	6	113.6867	2.681	6	113.6867	2.681	6	112.5359	19.578	14	110.9660	11.914	97	110.9660	11.914	97
984	944	944	0:SP-NON_SP-NON_SP-NON	Ga	I	I	3:1:1:1:	4:	4:	O[5]-3:I-1:I-1:I-1:	Ga-4:	Ga-4:	Ga(O[5]C[5]2)(I)3	I(GaO[5]II)	I(GaO[5]II)	Ga(O[5]C[5]2)(I)3	I(GaO[5]II)	I(GaO[5]II)	115.5835	2.652	2	115.5835	7.035	2	115.5835	7.035	2	112.5359	19.578	14	110.9660	11.914	97	110.9660	11.914	97
984	944	944	0:SP-NON_SP-NON_SP-NON	Ga	I	I	3:1:1:1:	4:	4:	S-3:I-1:I-1:I-1:	Ga-4:	Ga-4:	Ga(SCC)(I)3	I(GaIIS)	I(GaIIS)	Ga(SCC)(I)3	I(GaIIS)	I(GaIIS)	114.9850	0.889	3	114.9850	0.790	3	114.9850	0.790	3	112.5359	19.578	14	110.9660	11.914	97	110.9660	11.914	97
984	944	944	0:SP-NON_SP-NON_SP-NON	Ga	I	I	4:1:1:1:	4:	4:	As-4:I-1:I-1:I-1:	Ga-4:	Ga-4:	Ga(AsC3)(I)3	I(GaAsII)	I(GaAsII)	Ga(AsC3)(I)3	I(GaAsII)	I(GaAsII)	113.5394	1.139	9	113.5394	1.298	9	113.9815	3.434	15	111.8858	13.797	24	110.9660	11.914	97	110.9660	11.914	97
984	944	944	0:SP-NON_SP-NON_SP-NON	Ga	I	I	4:1:1:1:	4:	4:	As-4:I-1:I-1:I-1:	Ga-4:	Ga-4:	Ga(AsC[6a]2C)(I)3	I(GaAsII)	I(GaAsII)	Ga(AsC[6a]2C)(I)3	I(GaAsII)	I(GaAsII)	114.6447	2.580	6	114.6447	6.659	6	113.9815	3.434	15	111.8858	13.797	24	110.9660	11.914	97	110.9660	11.914	97
984	944	944	0:SP-NON_SP-NON_SP-NON	Ga	I	I	4:1:1:1:	4:	4:	Ga-4:I-1:I-1:I-1:	Ga-4:	Ga-4:	Ga(GaI3)(I)3	I(GaGaII)	I(GaGaII)	Ga(GaI3)(I)3	I(GaGaII)	I(GaGaII)	106.2763	1.217	3	106.2763	1.481	3	106.3150	1.510	6	111.8858	13.797	24	110.9660	11.914	97	110.9660	11.914	97
984	944	944	0:SP-NON_SP-NON_SP-NON	Ga	I	I	4:1:1:1:	4:	4:	Ga-4:I-1:I-1:I-1:	Ga-4:	Ga-4:	Ga(GaS3)(I)3	I(GaGaII)	I(GaGaII)	Ga(GaS3)(I)3	I(GaGaII)	I(GaGaII)	106.3537	1.513	3	106.3537	2.290	3	106.3150	1.510	6	111.8858	13.797	24	110.9660	11.914	97	110.9660	11.914	97
984	944	944	0:SP-NON_SP-NON_SP-NON	Ga	I	I	4:1:1:1:	4:	4:	P-4:I-1:I-1:I-1:	Ga-4:	Ga-4:	Ga(PC3)(I)3	I(GaIIP)	I(GaIIP)	Ga(PC3)(I)3	I(GaIIP)	I(GaIIP)	112.5490	2.036	3	112.5490	4.147	3	112.5490	4.147	3	111.8858	13.797	24	110.9660	11.914	97	110.9660	11.914	97
984	944	944	0:SP-NON_SP-NON_SP-NON	Ga	I	I	4:2:1:1:	4:	4:	C-4:O-2:I-1:I-1:	Ga-4:	Ga-4:	Ga(CGaSiC)(OC)(I)2	I(GaCIO)	I(GaCIO)	Ga(CGaSiC)(OC)(I)2	I(GaCIO)	I(GaCIO)	107.8270	0.000	2	107.8270	0.000	2	107.8270	0.000	2	107.8270	0.000	2	110.9660	11.914	97	110.9660	11.914	97
984	944	969	0:SP-NON_SP-NON_SP-NON	Ga	I	Ga	4:3:3:1:	4:	4:4:1:	Ga[6]-4:Ga[6]-3:Ga-3:I-1:	Ga-4:	Ga[6]-4:Ga-4:I-1:	Ga(Ga[6]N[6]2I)(Ga[6]N[6]2)(GaGa[6]I)(I)	I(GaGa[6]2Ga)	Ga(Ga[6]N[6]2I)(GaGa[6]2I)(I)	Ga(Ga[6]N[6]2I)(Ga[6]N[6]2)(GaGa[6]I)(I)	I(GaGa[6]2Ga)	Ga(Ga[6]N[6]2I)(GaGa[6]2I)(I)	66.0946	0.000	1	66.0946	0.000	1	66.0946	0.000	1	66.0946	0.000	1	66.0946	0.000	1	66.0946	0.000	1
984	944	984	0:SP-NON_SP-NON_SP-NON	Ga	I	Ga	4:1:1:1:	4:	2:2:2:4:	Ga-4:I-1:I-1:I-1:	Ga-4:	S-2:S-2:S-2:Ga-4:	Ga(GaS3)(I)3	I(GaGaII)	Ga(SC[5])3(GaI3)	Ga(GaS3)(I)3	I(GaGaII)	Ga(SC[5])3(GaI3)	112.2273	9.213	3	112.2273	84.876	3	112.2273	84.876	3	112.2273	84.876	3	114.2715	34.311	10	114.2715	34.311	10
984	944	984	0:SP-NON_SP-NON_SP-NON	Ga	I	Ga	4:1:1:1:	4:	4:1:1:1:	Ga-4:I-1:I-1:I-1:	Ga-4:	Ga-4:I-1:I-1:I-1:	Ga(GaI3)(I)3	I(GaGaII)	Ga(GaI3)(I)3	Ga(GaI3)(I)3	I(GaGaII)	Ga(GaI3)(I)3	112.4167	4.175	3	112.4167	17.427	3	112.4167	17.427	3	112.4167	17.427	3	114.2715	34.311	10	114.2715	34.311	10
984	944	984	0:SP-NON_SP-NON_SP-NON	Ga	I	Ga	4:2:2:1:	4:	4:2:2:1:	Ga-4:O-2:O-2:I-1:	Ga-4:	Ga-4:O-2:O-2:I-1:	Ga(GaIOO)(OC[5])2(I)	I(GaGaOO)	Ga(GaIOO)(OC[5])2(I)	Ga(GaIOO)(OC[5])2(I)	I(GaGaOO)	Ga(GaIOO)(OC[5])2(I)	119.5490	4.909	2	119.5490	24.096	2	119.5490	24.096	2	117.1958	15.711	4	114.2715	34.311	10	114.2715	34.311	10
984	944	984	0:SP-NON_SP-NON_SP-NON	Ga	I	Ga	4:2:2:1:	4:	4:2:2:1:	Ga-4:S-2:S-2:I-1:	Ga-4:	Ga-4:S-2:S-2:I-1:	Ga(GaISS)(SC[5])2(I)	I(GaGaSS)	Ga(GaISS)(SC[5])2(I)	Ga(GaISS)(SC[5])2(I)	I(GaGaSS)	Ga(GaISS)(SC[5])2(I)	114.8425	0.941	2	114.8425	0.886	2	114.8425	0.886	2	117.1958	15.711	4	114.2715	34.311	10	114.2715	34.311	10
984	944	992	0:SP-NON_SP-NON_SP3	Ga	I	P	4:1:1:1:	4:	4:4:4:4:	P-4:I-1:I-1:I-1:	Ga-4:	C-4:C-4:C-4:Ga-4:	Ga(PC3)(I)3	I(GaIIP)	P(CCHH)3(GaI3)	Ga(PC3)(I)3	I(GaIIP)	P(CCHH)3(GaI3)	106.1690	3.407	3	106.1690	11.611	3	106.1690	11.611	3	106.1690	11.611	3	106.1690	11.611	3	106.1690	11.611	3
984	951	951	0:SP-NON_SP-NON_SP-NON	Ga	H	H	2:1:1:1:	4:	4:	N-2:H-1:H-1:H-1:	Ga-4:	Ga-4:	Ga(NC)(H)3	H(GaHHN)	H(GaHHN)	Ga(NC)(H)3	H(GaHHN)	H(GaHHN)	113.7330	1.133	3	113.7330	1.283	3	113.7330	1.283	3	113.7330	1.283	3	114.9856	15.878	36	114.9856	15.878	36
984	951	951	0:SP-NON_SP-NON_SP-NON	Ga	H	H	3:1:1:1:	4:	4:	C[5]-3:H-1:H-1:H-1:	Ga-4:	Ga-4:	Ga(C[5]N[5]2)(H)3	H(GaC[5]HH)	H(GaC[5]HH)	Ga(C[5]N[5]2)(H)3	H(GaC[5]HH)	H(GaC[5]HH)	113.8377	4.436	9	113.8377	19.675	9	113.8377	19.675	9	114.6091	13.395	15	114.9856	15.878	36	114.9856	15.878	36
984	951	951	0:SP-NON_SP-NON_SP-NON	Ga	H	H	3:1:1:1:	4:	4:	N[6]-3:H-1:H-1:H-1:	Ga-4:	Ga-4:	Ga(N[6]C[6]2)(H)3	H(GaN[6]HH)	H(GaN[6]HH)	Ga(N[6]C[6]2)(H)3	H(GaN[6]HH)	H(GaN[6]HH)	115.7663	1.830	6	115.7663	3.349	6	115.7663	3.349	6	114.6091	13.395	15	114.9856	15.878	36	114.9856	15.878	36
984	951	951	0:SP-NON_SP-NON_SP-NON	Ga	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	Ga-4:	Ga-4:	Ga(NC3)(H)3	H(GaHHN)	H(GaHHN)	Ga(NC3)(H)3	H(GaHHN)	H(GaHHN)	118.6595	0.036	2	118.6595	0.001	2	116.4311	19.131	11	115.8649	17.885	13	114.9856	15.878	36	114.9856	15.878	36
984	951	951	0:SP-NON_SP-NON_SP-NON	Ga	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	Ga-4:	Ga-4:	Ga(NCCH)(H)3	H(GaHHN)	H(GaHHN)	Ga(NCCH)(H)3	H(GaHHN)	H(GaHHN)	116.5413	5.796	6	116.5413	33.592	6	116.4311	19.131	11	115.8649	17.885	13	114.9856	15.878	36	114.9856	15.878	36
984	951	951	0:SP-NON_SP-NON_SP-NON	Ga	H	H	4:1:1:1:	4:	4:	N-4:H-1:H-1:H-1:	Ga-4:	Ga-4:	Ga(NCHH)(H)3	H(GaHHN)	H(GaHHN)	Ga(NCHH)(H)3	H(GaHHN)	H(GaHHN)	114.7250	1.518	3	114.7250	2.305	3	116.4311	19.131	11	115.8649	17.885	13	114.9856	15.878	36	114.9856	15.878	36
984	951	951	0:SP-NON_SP-NON_SP-NON	Ga	H	H	4:1:1:1:	4:	4:	P-4:H-1:H-1:H-1:	Ga-4:	Ga-4:	Ga(PC3)(H)3	H(GaHHP)	H(GaHHP)	Ga(PC3)(H)3	H(GaHHP)	H(GaHHP)	112.7510	0.625	2	112.7510	0.391	2	112.7510	0.391	2	115.8649	17.885	13	114.9856	15.878	36	114.9856	15.878	36
984	951	951	0:SP-NON_SP-NON_SP-NON	Ga	H	H	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:H-1:H-1:	Ga-4:	Ga-4:	Ga(C[5]C[5]N[5]H)(C[5]N[5]2)(H)2	H(GaC[5]2H)	H(GaC[5]2H)	Ga(C[5]C[5]N[5]H)(C[5]N[5]2)(H)2	H(GaC[5]2H)	H(GaC[5]2H)	112.0305	1.051	4	112.0305	1.104	4	112.0305	1.104	4	112.0305	1.104	4	114.9856	15.878	36	114.9856	15.878	36
984	951	951	0:SP-NON_SP-NON_SP-NON	Ga	H	H	4:4:1:1:	4:	4:	N-4:N-4:H-1:H-1:	Ga-4:	Ga-4:	Ga(NCHH)2(H)2	H(GaHNN)	H(GaHNN)	Ga(NCHH)2(H)2	H(GaHNN)	H(GaHNN)	124.7780	0.000	1	124.7780	0.000	1	124.7780	0.000	1	124.7780	0.000	1	114.9856	15.878	36	114.9856	15.878	36
984	951	956	0:SP-NON_SP-NON_SP2	Ga	H	N	4:3:3:1:	4:	4:4:4:	N[3x6]-4:N-3:N-3:H-1:	Ga-4:	Ga-4:Si-4:Si-4:	Ga(N[3x6]C[6,6]3)(NSi2)2(H)	H(GaN[3x6]NN)	N(GaN[3x6]HN)(SiC3)2	Ga(N[3x6]C[6,6]3)(NSi2)2(H)	H(GaN[3x6]NN)	N(GaN[3x6]HN)(SiC3)2	111.1590	5.425	2	111.1590	29.430	2	111.1590	29.430	2	111.1590	29.430	2	111.1590	29.430	2	111.1590	29.430	2
984	951	956	0:SP-NON_SP-NON_SP3	Ga	H	N	4:3:3:1:	4:	3:4:1:	N[3x6]-4:N-3:N-3:H-1:	Ga-4:	C[6a]-3:Ga-4:H-1:	Ga(N[3x6]C[6,6]3)(NC[6a]H)2(H)	H(GaN[3x6]NN)	N(C[6a]C[6a]2)(GaN[3x6]HN)(H)	Ga(N[3x6]C[6,6]3)(NC[6a]H)2(H)	H(GaN[3x6]NN)	N(C[6a]C[6a]2)(GaN[3x6]HN)(H)	118.1530	1.416	2	118.1530	2.004	2	118.1530	2.004	2	118.1530	2.004	2	118.1530	2.004	2	118.1530	2.004	2
984	951	992	0:SP-NON_SP-NON_SP3	Ga	H	P	4:1:1:1:	4:	4:4:4:4:	P-4:H-1:H-1:H-1:	Ga-4:	Ga-4:C-4:C-4:C-4:	Ga(PC3)(H)3	H(GaHHP)	P(GaH3)(CH3)3	Ga(PC3)(H)3	H(GaHHP)	P(GaH3)(CH3)3	106.2605	0.588	2	106.2605	0.345	2	106.2605	0.345	2	106.2605	0.345	2	106.2605	0.345	2	106.2605	0.345	2
984	956	956	0:SP-NON_SP2_SP2	Ga	N	N	3:3:1:1:	3:4:3:	3:4:3:	N-3:N-3:Cl-1:Cl-1:	C[6a]-3:Ga-4:C-3:	C[6a]-3:Ga-4:C-3:	Ga(NC[6a]C)2(Cl)2	N(C[6a]C[6a]2)(GaCl2N)(CCC)	N(C[6a]C[6a]2)(GaCl2N)(CCC)	Ga(NC[6a]C)2(Cl)2	N(C[6a]C[6a]2)(GaCl2N)(CCC)	N(C[6a]C[6a]2)(GaCl2N)(CCC)	162.7280	0.000	1	162.7280	0.000	1	162.7280	0.000	1	162.7280	0.000	1	141.0695	938.181	2	141.0695	938.181	2
984	956	956	0:SP-NON_SP2_SP2	Ga	N	N	4:3:3:1:	4:4:4:	4:4:4:	N[3x6]-4:N-3:N-3:H-1:	Ga-4:Si-4:Si-4:	Ga-4:Si-4:Si-4:	Ga(N[3x6]C[6,6]3)(NSi2)2(H)	N(GaN[3x6]HN)(SiC3)2	N(GaN[3x6]HN)(SiC3)2	Ga(N[3x6]C[6,6]3)(NSi2)2(H)	N(GaN[3x6]HN)(SiC3)2	N(GaN[3x6]HN)(SiC3)2	119.4110	0.000	1	119.4110	0.000	1	119.4110	0.000	1	119.4110	0.000	1	141.0695	938.181	2	141.0695	938.181	2
984	956	956	0:SP-NON_SP3_SP3	Ga	N	N	4:3:3:1:	3:4:1:	3:4:1:	N[3x6]-4:N-3:N-3:H-1:	C[6a]-3:Ga-4:H-1:	C[6a]-3:Ga-4:H-1:	Ga(N[3x6]C[6,6]3)(NC[6a]H)2(H)	N(C[6a]C[6a]2)(GaN[3x6]HN)(H)	N(C[6a]C[6a]2)(GaN[3x6]HN)(H)	Ga(N[3x6]C[6,6]3)(NC[6a]H)2(H)	N(C[6a]C[6a]2)(GaN[3x6]HN)(H)	N(C[6a]C[6a]2)(GaN[3x6]HN)(H)	109.8860	0.000	1	109.8860	0.000	1	109.8860	0.000	1	109.8860	0.000	1	116.1008	17.167	4	116.1008	17.167	4
984	956	956	0:SP-NON_SP3_SP3	Ga	N	N	4:3:3:3:	4:4:4:	4:4:4:	N-4:N-3:N-3:N-3:	S-4:C-4:Ga-4:	S-4:C-4:Ga-4:	Ga(NH3)(NCS)3	N(SC[6a]OO)(CCHH)(GaN3)	N(SC[6a]OO)(CCHH)(GaN3)	Ga(NH3)(NCS)3	N(SC[6a]OO)(CCHH)(GaN3)	N(SC[6a]OO)(CCHH)(GaN3)	118.1723	0.033	3	118.1723	0.001	3	118.1723	0.001	3	118.1723	0.001	3	116.1008	17.167	4	116.1008	17.167	4
984	956	992	0:SP-NON_SP3_SP3	Ga	N	P	3:4:1:1:	4:4:4:	4:4:4:4:	N-3:P-4:Cl-1:Cl-1:	Ga-4:Si-4:C-4:	Ga-4:C-4:C-4:C-4:	Ga(NSiC)(PC3)(Cl)2	N(GaCl2P)(SiCCN)(CC3)	P(GaCl2N)(CCCH)2(CCHH)	Ga(NSiC)(PC3)(Cl)2	N(GaCl2P)(SiCCN)(CC3)	P(GaCl2N)(CCCH)2(CCHH)	119.3980	0.000	1	119.3980	0.000	1	119.3980	0.000	1	119.3980	0.000	1	119.3980	0.000	1	119.3980	0.000	1
984	983	983	0:SP-NON_SP1_SP1	Ga	C	C	3:2:2:2:	4:1:	4:1:	C[6a]-3:C-2:C-2:C-2:	Ga-4:N-1:	Ga-4:N-1:	Ga(C[6a]C[6a]2)(CN)3	C(GaC[6a]CC)(N)	C(GaC[6a]CC)(N)	Ga(C[6a]C[6a]2)(CN)3	C(GaC[6a]CC)(N)	C(GaC[6a]CC)(N)	102.9280	2.680	3	102.9280	7.182	3	102.9280	7.182	3	102.9280	7.182	3	102.9280	7.182	3	102.9280	7.182	3
984	984	992	0:SP-NON_SP-NON_SP3	Ga	Ga	P	4:4:1:1:	4:4:1:1:	4:4:4:4:	Ga-4:P-4:Br-1:Br-1:	Ga-4:P-4:Br-1:Br-1:	Ga-4:C-4:C-4:C-4:	Ga(GaBr2P)(PC3)(Br)2	Ga(GaBr2P)(PC3)(Br)2	P(GaBr2Ga)(CCHH)3	Ga(GaBr2P)(PC3)(Br)2	Ga(GaBr2P)(PC3)(Br)2	P(GaBr2Ga)(CCHH)3	117.5980	0.000	1	117.5980	0.000	1	117.5980	0.000	1	117.6235	0.001	2	117.6235	0.001	2	117.6235	0.001	2
984	984	992	0:SP-NON_SP-NON_SP3	Ga	Ga	P	4:4:1:1:	4:4:1:1:	4:4:4:4:	Ga-4:P-4:Cl-1:Cl-1:	Ga-4:P-4:Cl-1:Cl-1:	Ga-4:C-4:C-4:C-4:	Ga(GaCl2P)(PC3)(Cl)2	Ga(GaCl2P)(PC3)(Cl)2	P(GaCl2Ga)(CCHH)3	Ga(GaCl2P)(PC3)(Cl)2	Ga(GaCl2P)(PC3)(Cl)2	P(GaCl2Ga)(CCHH)3	117.6490	0.000	1	117.6490	0.000	1	117.6490	0.000	1	117.6235	0.001	2	117.6235	0.001	2	117.6235	0.001	2
985	790	790	0:SP-NON_SP-NON_SP-NON	I	Cl	Cl	1:1:1:1:	4:	4:	Cl-1:Cl-1:Cl-1:Cl-1:	I-4:	I-4:	I(Cl)4	Cl(ICl3)	Cl(ICl3)	I(Cl)4	Cl(ICl3)	Cl(ICl3)	119.3654	43.380	12	119.3654	1881.850	12	119.3654	1881.850	12	119.3654	1881.850	12	119.3654	1881.850	12	119.3654	1881.850	12
985	830	830	0:SP-NON_SP-NON_SP-NON	I	F	F	2:1:1:1:	4:	4:	O-2:F-1:F-1:O-1:	I-4:	I-4:	I(OC)(F)2(O)	F(IFOO)	F(IFOO)	I(OC)(F)2(O)	F(IFOO)	F(IFOO)	172.2160	0.000	1	172.2160	0.000	1	172.2160	0.000	1	172.2160	0.000	1	172.2160	0.000	1	172.2160	0.000	1
985	830	863	0:SP-NON_SP-NON_SP2	I	F	O	2:1:1:1:	4:	4:	O-2:F-1:F-1:O-1:	I-4:	I-4:	I(OC)(F)2(O)	F(IFOO)	O(IFFO)	I(OC)(F)2(O)	F(IFOO)	O(IFFO)	88.3389	1.403	2	88.3389	1.969	2	88.3389	1.969	2	88.3389	1.969	2	88.3389	1.969	2	88.3389	1.969	2
985	830	893	0:SP-NON_SP-NON_SP3	I	F	O	2:1:1:1:	4:	4:4:	O-2:F-1:F-1:O-1:	I-4:	I-4:C-4:	I(OC)(F)2(O)	F(IFOO)	O(IFFO)(CH3)	I(OC)(F)2(O)	F(IFOO)	O(IFFO)(CH3)	86.8769	0.456	2	86.8769	0.208	2	86.8769	0.208	2	86.8769	0.208	2	86.8769	0.208	2	86.8769	0.208	2
985	863	863	0:SP-NON_SP2_SP2	I	O	O	1:1:1:1:	4:	4:	O-1:O-1:O-1:O-1:	I-4:	I-4:	I(O)4	O(IO3)	O(IO3)	I(O)4	O(IO3)	O(IO3)	109.4809	1.649	21	109.4809	2.721	21	109.4809	2.721	21	109.4809	2.721	21	109.4809	2.721	21	109.4809	2.721	21
985	863	893	0:SP-NON_SP2_SP3	I	O	O	2:1:1:1:	4:	4:4:	O-2:F-1:F-1:O-1:	I-4:	I-4:C-4:	I(OC)(F)2(O)	O(IFFO)	O(IFFO)(CH3)	I(OC)(F)2(O)	O(IFFO)	O(IFFO)(CH3)	101.3280	0.000	1	101.3280	0.000	1	101.3280	0.000	1	101.3280	0.000	1	101.3280	0.000	1	101.3280	0.000	1
986	26	118	3:SPD7_SP-NON_SP1	P[3]	C[3]	F[3]	2:2:1:1:1:1:1:	7:2:	7:2:	C[3]-2:F[3]-2:F-1:F-1:F-1:F-1:F-1:	P[3]-7:F[3]-2:	P[3]-7:C[3]-2:	P[3](C[3]F[3])(F[3]C[3])(F)5	C[3](P[3]F[3]F5)(F[3]P[3])	F[3](P[3]C[3]F5)(C[3]P[3])	P[3](C[3]F[3])(F[3]C[3])(F)5	C[3](P[3]F[3]F5)(F[3]P[3])	F[3](P[3]C[3]F5)(C[3]P[3])	40.9768	0.000	1	40.9768	0.000	1	40.9768	0.000	1	40.9768	0.000	1	40.9768	0.000	1	40.9768	0.000	1
986	26	830	0:SPD7_SP-NON_SP1	P[3]	C[3]	F	2:2:1:1:1:1:1:	7:2:	7:	C[3]-2:F[3]-2:F-1:F-1:F-1:F-1:F-1:	P[3]-7:F[3]-2:	P[3]-7:	P[3](C[3]F[3])(F[3]C[3])(F)5	C[3](P[3]F[3]F5)(F[3]P[3])	F(P[3]C[3]F[3]F4)	P[3](C[3]F[3])(F[3]C[3])(F)5	C[3](P[3]F[3]F5)(F[3]P[3])	F(P[3]C[3]F[3]F4)	105.5557	32.809	5	105.5557	1076.457	5	105.5557	1076.457	5	105.5557	1076.457	5	105.5557	1076.457	5	105.5557	1076.457	5
986	118	830	0:SPD7_SP-NON_SP-NON	P[3]	F[3]	F	2:2:1:1:1:1:1:	7:2:	7:	C[3]-2:F[3]-2:F-1:F-1:F-1:F-1:F-1:	P[3]-7:C[3]-2:	P[3]-7:	P[3](C[3]F[3])(F[3]C[3])(F)5	F[3](P[3]C[3]F5)(C[3]P[3])	F(P[3]C[3]F[3]F4)	P[3](C[3]F[3])(F[3]C[3])(F)5	F[3](P[3]C[3]F5)(C[3]P[3])	F(P[3]C[3]F[3]F4)	106.9681	32.765	5	106.9681	1073.548	5	106.9681	1073.548	5	106.9681	1073.548	5	106.9681	1073.548	5	106.9681	1073.548	5
986	830	830	0:SPD7_SP-NON_SP-NON	P[3]	F	F	2:2:1:1:1:1:1:	7:	7:	C[3]-2:F[3]-2:F-1:F-1:F-1:F-1:F-1:	P[3]-7:	P[3]-7:	P[3](C[3]F[3])(F[3]C[3])(F)5	F(P[3]C[3]F[3]F4)	F(P[3]C[3]F[3]F4)	P[3](C[3]F[3])(F[3]C[3])(F)5	F(P[3]C[3]F[3]F4)	F(P[3]C[3]F[3]F4)	105.2867	35.975	10	105.2867	1294.198	10	105.2867	1294.198	10	105.2867	1294.198	10	105.2867	1294.198	10	105.2867	1294.198	10
986	863	962	0:SPD7_SP2_SP3	P[3x3]	O	O[3]	2:2:2:2:2:2:1:	7:	7:2:	O[3]-2:O[3]-2:O[3]-2:O[3]-2:O[3]-2:O[3]-2:O-1:	P[3x3]-7:	P[3x3]-7:O[3]-2:	P[3x3](O[3]O[3])6(O)	O(P[3x3]O[3]6)	O[3](P[3x3]O[3]5O)(O[3]P[3x3])	P[3x3](O[3]O[3])6(O)	O(P[3x3]O[3]6)	O[3](P[3x3]O[3]5O)(O[3]P[3x3])	108.2078	3.107	6	108.2078	9.653	6	108.2078	9.653	6	108.2078	9.653	6	108.2078	9.653	6	108.2078	9.653	6
986	962	962	0:SPD7_SP3_SP3	P[3x3]	O[3]	O[3]	2:2:2:2:2:2:1:	7:2:	7:2:	O[3]-2:O[3]-2:O[3]-2:O[3]-2:O[3]-2:O[3]-2:O-1:	P[3x3]-7:O[3]-2:	P[3x3]-7:O[3]-2:	P[3x3](O[3]O[3])6(O)	O[3](P[3x3]O[3]5O)(O[3]P[3x3])	O[3](P[3x3]O[3]5O)(O[3]P[3x3])	P[3x3](O[3]O[3])6(O)	O[3](P[3x3]O[3]5O)(O[3]P[3x3])	O[3](P[3x3]O[3]5O)(O[3]P[3x3])	107.1275	29.164	12	107.1275	850.566	12	107.1275	850.566	12	107.1275	850.566	12	107.1275	850.566	12	107.1275	850.566	12
986	962	962	3:SPD7_SP3_SP3	P[3x3]	O[3]	O[3]	2:2:2:2:2:2:1:	7:2:	7:2:	O[3]-2:O[3]-2:O[3]-2:O[3]-2:O[3]-2:O[3]-2:O-1:	P[3x3]-7:O[3]-2:	P[3x3]-7:O[3]-2:	P[3x3](O[3]O[3])6(O)	O[3](P[3x3]O[3]5O)(O[3]P[3x3])	O[3](P[3x3]O[3]5O)(O[3]P[3x3])	P[3x3](O[3]O[3])6(O)	O[3](P[3x3]O[3]5O)(O[3]P[3x3])	O[3](P[3x3]O[3]5O)(O[3]P[3x3])	48.9073	3.758	3	48.9073	14.125	3	48.9073	14.125	3	48.9073	14.125	3	48.9073	14.125	3	48.9073	14.125	3
987	246	818	5:SP-NON_SP2_SP3	P[5]	P[5]	C[5]	3:3:	3:2:3:	2:2:4:	C[5]-3:P[5]-3:	C[5]-3:P[5]-2:C-3:	P[5]-2:P[5]-2:C-4:	P[5](C[5]P[5]C)(P[5]C[5]C)	P[5](C[5]P[5]C)(P[5]C[5])(CC[5]C)	C[5](P[5]C[5])(P[5]P[5])(CC3)	P[5](C[5]P[5]C)(P[5]C[5]C){1|C<4>}	P[5](C[5]P[5]C)(P[5]C[5])(CC[5]C){1|C<4>}	C[5](P[5]C[5])(P[5]P[5])(CC3){1|C<3>,1|C<4>}	94.5542	0.000	1	94.5542	0.000	1	94.5542	0.000	1	94.5542	0.000	1	91.7137	16.137	2	91.7137	16.137	2
987	246	818	5:SP-NON_SP2_SP3	P[5]	P[5]	C[5]	3:3:	3:3:2:	3:2:1:	P[5]-3:C[5]-3:	C[6a]-3:C[5]-3:P[5]-2:	C[5]-3:P[5]-2:H-1:	P[5](P[5]C[6a]C[5])(C[5]C[5]H)	P[5](C[6a]C[6a]2)(C[5]C[5]H)(P[5]C[5])	C[5](C[5]C[5]H)(P[5]P[5])(H)	P[5](P[5]C[6a]C[5])(C[5]C[5]H){2|C<3>,2|H<1>}	P[5](C[6a]C[6a]2)(C[5]C[5]H)(P[5]C[5]){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]H)(P[5]P[5])(H){1|C<3>,1|H<1>}	88.8731	0.000	1	88.8731	0.000	1	88.8731	0.000	1	88.8731	0.000	1	91.7137	16.137	2	91.7137	16.137	2
987	246	852	5:SP-NON_SP3_SP3	P[5,5]	P[3x5]	P[3,5,5]	3:3:	2:2:2:	3:3:2:	P[3,5,5]-3:P[3x5]-3:	P[5,5]-2:P[5,5]-2:P[5,5]-2:	P[3,5,5]-3:P[3,5,5]-3:P[5,5]-2:	P[5,5](P[3,5,5]P[3,5,5]2)(P[3x5]P[5,5]2)	P[3x5](P[5,5]P[3,5,5])3	P[3,5,5](P[3,5,5]P[3,5,5]P[5,5])2(P[5,5]P[3x5])	P[5,5](P[3,5,5]P[3,5,5]2)(P[3x5]P[5,5]2)	P[3x5](P[5,5]P[3,5,5])3	P[3,5,5](P[3,5,5]P[3,5,5]P[5,5])2(P[5,5]P[3x5])	99.4905	0.758	6	99.4905	0.575	6	99.4905	0.575	6	99.4905	0.575	6	99.3320	0.655	7	99.3320	0.655	7
987	246	852	5:SP-NON_SP3_SP3	P[5,5]	P[3x5]	P[3,5,5]	3:3:	3:3:2:	3:3:2:	P[3,5,5]-3:P[3x5]-3:	P[5,5]-3:P[5,5]-3:P[5,5]-2:	P[3,5,5]-3:P[3,5,5]-3:P[5,5]-2:	P[5,5](P[3,5,5]P[3,5,5]2)(P[3x5]P[5,5]2)	P[3x5](P[5,5]P[3,5,5]Zn)2(P[5,5]P[3,5,5])	P[3,5,5](P[3,5,5]P[3,5,5]P[5,5])2(P[5,5]P[3x5])	P[5,5](P[3,5,5]P[3,5,5]2)(P[3x5]P[5,5]2){1|Zn<4>}	P[3x5](P[5,5]P[3,5,5]Zn)2(P[5,5]P[3,5,5])	P[3,5,5](P[3,5,5]P[3,5,5]P[5,5])2(P[5,5]P[3x5]){1|Zn<4>}	98.3814	0.000	1	98.3814	0.000	1	98.3814	0.000	1	98.3814	0.000	1	99.3320	0.655	7	99.3320	0.655	7
987	246	955	5:SP-NON_SP3_SP3	P[5]	P[5]	P[5]	4:3:	4:3:2:	2:2:4:4:	P[5]-4:P[5]-3:	P[5]-4:P[5]-3:P[5]-2:	N[5]-2:P[5]-2:C-4:C-4:	P[5](P[5]N[5]CC)(P[5]P[5]2)	P[5](P[5]N[5]CC)(P[5]P[5]2)(P[5]P[5])	P[5](N[5]P[5])(P[5]P[5])(CCCH)2	P[5](P[5]N[5]CC)(P[5]P[5]2){1|P<2>,1|P<4>,2|C<4>}	P[5](P[5]N[5]CC)(P[5]P[5]2)(P[5]P[5]){1|N<2>,1|P<4>,4|C<4>}	P[5](N[5]P[5])(P[5]P[5])(CCCH)2{1|P<3>,2|C<4>}	95.3425	0.536	2	95.3425	0.287	2	95.3425	0.287	2	95.3425	0.287	2	95.3425	0.287	2	95.3425	0.287	2
987	474	474	5:SP-NON_SP3_SP3	P[5]	C[5]	C[5]	4:4:	4:2:4:4:	4:2:4:4:	C[5]-4:C[5]-4:	C[5]-4:P[5]-2:Si-4:Si-4:	C[5]-4:P[5]-2:Si-4:Si-4:	P[5](C[5]C[5]Si2)2	C[5](C[5]C[5]HH)(P[5]C[5])(SiC3)2	C[5](C[5]C[5]HH)(P[5]C[5])(SiC3)2	P[5](C[5]C[5]Si2)2{4|H<1>}	C[5](C[5]C[5]HH)(P[5]C[5])(SiC3)2{2|Si<4>,2|H<1>}	C[5](C[5]C[5]HH)(P[5]C[5])(SiC3)2{2|Si<4>,2|H<1>}	94.5966	1.101	4	94.5966	1.212	4	94.5966	1.212	4	94.5966	1.212	4	94.5966	1.212	4	94.5966	1.212	4
987	474	818	5:SP-NON_SP2_SP3	P[5]	C[5,5]	C[5]	4:3:	3:3:2:4:	3:2:4:	C[5,5]-4:C[5]-3:	P[3,5,5]-3:P[4,5]-3:P[5]-2:C-4:	P[3,5]-3:P[5]-2:C-4:	P[5](C[5,5]P[3,5,5]P[4,5]C)(C[5]P[3,5]C)	C[5,5](P[3,5,5]C[3,5]P[3,5])(P[4,5]P[4,5]C[4])(P[5]C[5])(CC3)	C[5](P[3,5]P[3,5,5]C[3,5])(P[5]C[5,5])(CC3)	P[5](C[5,5]P[3,5,5]P[4,5]C)(C[5]P[3,5]C){1|C<3>,1|C<4>,1|P<3>}	C[5,5](P[3,5,5]C[3,5]P[3,5])(P[4,5]P[4,5]C[4])(P[5]C[5])(CC3){1|C<3>,3|C<4>}	C[5](P[3,5]P[3,5,5]C[3,5])(P[5]C[5,5])(CC3){2|C<4>,2|P<3>}	104.0520	0.058	2	104.0520	0.003	2	104.0520	0.003	2	104.0520	0.003	2	104.0520	0.003	2	99.2331	40.200	5
987	474	818	5:SP-NON_SP2_SP3	P[5]	C[5]	C[5]	4:3:	3:2:4:1:	3:2:3:	C[5]-4:C[5]-3:	C[5]-3:P[5]-2:C-4:H-1:	C[5]-3:P[5]-2:C-3:	P[5](C[5]C[5]CH)(C[5]C[5]C)	C[5](C[5]C[5]C)(P[5]C[5])(CC3)(H)	C[5](C[5]C[5]O)(P[5]C[5])(CCC)	P[5](C[5]C[5]CH)(C[5]C[5]C){1|C<4>,1|O<2>}	C[5](C[5]C[5]C)(P[5]C[5])(CC3)(H){1|C<3>,1|O<2>}	C[5](C[5]C[5]O)(P[5]C[5])(CCC){1|H<1>,2|C<4>}	92.2926	0.102	2	92.2926	0.010	2	92.2926	0.010	2	92.2926	0.010	2	96.0204	41.694	3	99.2331	40.200	5
987	474	818	5:SP-NON_SP2_SP3	P[5]	C[5]	C[5]	4:3:	3:2:4:1:	3:2:4:	C[5]-4:C[5]-3:	P[3,5]-3:P[5]-2:C-4:H-1:	P[3,5]-3:P[5]-2:C-4:	P[5](C[5]P[3,5]CH)(C[5]P[3,5]C)	C[5](P[3,5]P[3,5]C[3])(P[5]C[5])(CC3)(H)	C[5](P[3,5]P[3,5]C[3])(P[5]C[5])(CC3)	P[5](C[5]P[3,5]CH)(C[5]P[3,5]C){1|C<4>}	C[5](P[3,5]P[3,5]C[3])(P[5]C[5])(CC3)(H){1|H<1>,2|C<4>}	C[5](P[3,5]P[3,5]C[3])(P[5]C[5])(CC3){2|C<4>,2|H<1>}	103.4760	0.000	1	103.4760	0.000	1	103.4760	0.000	1	103.4760	0.000	1	96.0204	41.694	3	99.2331	40.200	5
987	474	818	6:SP-NON_SP2_SP3	P[5,6]	C[3x5,6]	C[5,6]	4:3:	3:4:2:4:	3:2:4:	C[3x5,6]-4:C[5,6]-3:	P[3,5,5,6]-3:C[4x5]-4:P[5,6]-2:C-4:	P[3x5,6]-3:P[5,6]-2:C-4:	P[5,6](C[3x5,6]P[3,5,5,6]C[4x5]C)(C[5,6]P[3x5,6]C)	C[3x5,6](P[3,5,5,6]C[3,5,5,6]P[3,5,5])(C[4x5]P[3x5,6]P[5,5]C)(P[5,6]C[5,6])(CC3)	C[5,6](P[3x5,6]C[3,5,5,6]C[4x5])(P[5,6]C[3x5,6])(CC3)	P[5,6](C[3x5,6]P[3,5,5,6]C[4x5]C)(C[5,6]P[3x5,6]C){1|P<3>,1|P<4>,2|C<4>}	C[3x5,6](P[3,5,5,6]C[3,5,5,6]P[3,5,5])(C[4x5]P[3x5,6]P[5,5]C)(P[5,6]C[5,6])(CC3){1|Cr<6>,1|O<1>,2|C<4>}	C[5,6](P[3x5,6]C[3,5,5,6]C[4x5])(P[5,6]C[3x5,6])(CC3){1|P<4>,2|P<3>,3|C<4>}	98.4899	0.000	1	98.4899	0.000	1	98.4899	0.000	1	98.4899	0.000	1	98.4899	0.000	1	101.9960	3.653	6
987	474	818	6:SP-NON_SP2_SP3	P[5,6]	C[5,5,6]	C[5,6]	4:3:	3:2:2:4:	3:2:4:	C[5,5,6]-4:C[5,6]-3:	Si[5,5]-3:P[5,6]-2:P[5,6]-2:C-4:	P[5,5,6]-3:P[5,6]-2:C-4:	P[5,6](C[5,5,6]Si[5,5]P[5,6]C)(C[5,6]P[5,5,6]C)	C[5,5,6](Si[5,5]P[5,5,6]N)(P[5,6]C[5,6])2(CC3)	C[5,6](P[5,5,6]Si[5,5]C[5,6])(P[5,6]C[5,5,6])(CC3)	P[5,6](C[5,5,6]Si[5,5]P[5,6]C)(C[5,6]P[5,5,6]C){1|C<3>,1|N<3>}	C[5,5,6](Si[5,5]P[5,5,6]N)(P[5,6]C[5,6])2(CC3){2|C<4>}	C[5,6](P[5,5,6]Si[5,5]C[5,6])(P[5,6]C[5,5,6])(CC3){1|N<3>,1|P<2>,2|C<4>}	103.1615	1.597	2	103.1615	2.552	2	103.1615	2.552	2	103.1615	2.552	2	102.6972	0.879	5	101.9960	3.653	6
987	474	818	6:SP-NON_SP2_SP3	P[5,6]	C[5,5,6]	C[5,6]	4:3:	4:2:2:4:	3:2:4:	C[5,5,6]-4:C[5,6]-3:	Si[3x5]-4:P[5,6]-2:P[5,6]-2:C-4:	P[5,5,6]-3:P[5,6]-2:C-4:	P[5,6](C[5,5,6]Si[3x5]P[5,6]C)(C[5,6]P[5,5,6]C)	C[5,5,6](Si[3x5]P[5,5,6]N[5]2)(P[5,6]C[5,6])2(CC3)	C[5,6](P[5,5,6]Si[3x5]C[5,6])(P[5,6]C[5,5,6])(CC3)	P[5,6](C[5,5,6]Si[3x5]P[5,6]C)(C[5,6]P[5,5,6]C){1|C<3>,2|N<3>}	C[5,5,6](Si[3x5]P[5,5,6]N[5]2)(P[5,6]C[5,6])2(CC3){2|C<3>,4|C<4>}	C[5,6](P[5,5,6]Si[3x5]C[5,6])(P[5,6]C[5,5,6])(CC3){1|P<2>,2|C<4>,2|N<3>}	102.3877	0.350	3	102.3877	0.122	3	102.3877	0.122	3	102.3877	0.122	3	102.6972	0.879	5	101.9960	3.653	6
987	478	818	5:SP-NON_SP2_SP3	P[5]	C[4,5,6]	C[5]	4:3:	3:3:2:4:	3:2:4:	C[4,5,6]-4:C[5]-3:	P[4,5,5,6,6]-3:P[4,5,5,6,6]-3:P[5]-2:C-4:	P[5,5,6,6]-3:P[5]-2:C-4:	P[5](C[4,5,6]P[4,5,5,6,6]2C)(C[5]P[5,5,6,6]C)	C[4,5,6](P[4,5,5,6,6]C[4,5,5,6,6]P[4,3x5,6])(P[4,5,5,6,6]P[4,3x5,6]P[5,5,6,6])(P[5]C[5])(CC3)	C[5](P[5,5,6,6]P[4,5,5,6,6]2)(P[5]C[4,5,6])(CC3)	P[5](C[4,5,6]P[4,5,5,6,6]2C)(C[5]P[5,5,6,6]C){1|C<4>,2|P<3>}	C[4,5,6](P[4,5,5,6,6]C[4,5,5,6,6]P[4,3x5,6])(P[4,5,5,6,6]P[4,3x5,6]P[5,5,6,6])(P[5]C[5])(CC3){1|Si<4>,1|P<3>,3|C<4>}	C[5](P[5,5,6,6]P[4,5,5,6,6]2)(P[5]C[4,5,6])(CC3){2|P<3>,3|C<4>}	102.8935	0.155	2	102.8935	0.024	2	102.8935	0.024	2	102.8935	0.024	2	102.8935	0.024	2	102.8935	0.024	2
987	542	542	5:SP-NON_SP2_SP2	P[5]	N[5,6]	N[5]	3:3:	3:3:2:	3:3:2:	N[5,6]-3:N[5]-3:	C[5,6]-3:C[6]-3:P[5]-2:	C[5]-3:C[6a]-3:P[5]-2:	P[5](N[5,6]C[5,6]C[6])(N[5]C[6a]C[5])	N[5,6](C[5,6]C[5]C[6])(C[6]C[6]C)(P[5]N[5])	N[5](C[5]C[5,6]H)(C[6a]C[6a]2)(P[5]N[5,6])	P[5](N[5,6]C[5,6]C[6])(N[5]C[6a]C[5]){1|H<1>,5|C<3>}	N[5,6](C[5,6]C[5]C[6])(C[6]C[6]C)(P[5]N[5]){2|C<3>,3|H<1>}	N[5](C[5]C[5,6]H)(C[6a]C[6a]2)(P[5]N[5,6]){2|C<4>,4|C<3>}	82.7134	1.518	2	82.7134	2.304	2	84.3159	8.856	3	84.3159	8.856	3	84.3159	8.856	3	89.2451	5.276	35
987	542	542	5:SP-NON_SP2_SP2	P[5]	N[5,6]	N[5]	3:3:	3:3:2:	3:3:2:	N[5,6]-3:N[5]-3:	C[5,6]-3:C[6]-3:P[5]-2:	C[5]-3:C[6a]-3:P[5]-2:	P[5](N[5,6]C[5,6]C[6])(N[5]C[6a]C[5])	N[5,6](C[5,6]C[5]C[6])(C[6]C[6]H)(P[5]N[5])	N[5](C[5]C[5,6]H)(C[6a]C[6a]2)(P[5]N[5,6])	P[5](N[5,6]C[5,6]C[6])(N[5]C[6a]C[5]){2|H<1>,4|C<3>}	N[5,6](C[5,6]C[5]C[6])(C[6]C[6]H)(P[5]N[5]){2|C<3>,3|H<1>}	N[5](C[5]C[5,6]H)(C[6a]C[6a]2)(P[5]N[5,6]){2|C<4>,4|C<3>}	87.5209	0.000	1	87.5209	0.000	1	84.3159	8.856	3	84.3159	8.856	3	84.3159	8.856	3	89.2451	5.276	35
987	542	542	5:SP-NON_SP2_SP2	P[5]	N[5]	N[5]	3:3:	3:2:1:	3:2:1:	N[5]-3:N[5]-3:	C[5,6a]-3:P[5]-2:H-1:	C[5,6a]-3:P[5]-2:H-1:	P[5](N[5]C[5,6a]H)2	N[5](C[5,6a]C[5,6a]C[6a])(P[5]N[5])(H)	N[5](C[5,6a]C[5,6a]C[6a])(P[5]N[5])(H)	P[5](N[5]C[5,6a]H)2{2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(P[5]N[5])(H){2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(P[5]N[5])(H){2|C<3>,2|H<1>}	90.7164	0.223	2	90.7164	0.050	2	90.7164	0.050	2	90.7164	0.050	2	89.7072	2.644	32	89.2451	5.276	35
987	542	542	5:SP-NON_SP2_SP2	P[5]	N[5]	N[5]	3:3:	3:2:2:	3:3:2:	N[5]-3:N[5]-3:	C[6a]-3:P[5]-2:P[5]-2:	C[6a]-3:C[5]-3:P[5]-2:	P[5](N[5]C[6a]C[5])(N[5]C[6a]P[5])	N[5](C[6a]C[6a]2)(P[5]C[5])(P[5]N[5])	N[5](C[6a]C[6a]2)(C[5]P[5]N)(P[5]N[5])	P[5](N[5]C[6a]C[5])(N[5]C[6a]P[5]){1|N<2>,4|C<3>}	N[5](C[6a]C[6a]2)(P[5]C[5])(P[5]N[5]){1|N<2>,5|C<3>}	N[5](C[6a]C[6a]2)(C[5]P[5]N)(P[5]N[5]){5|C<3>}	94.7638	0.000	1	94.7638	0.000	1	94.7638	0.000	1	94.7638	0.000	1	89.7072	2.644	32	89.2451	5.276	35
987	542	542	5:SP-NON_SP2_SP2	P[5]	N[5]	N[5]	3:3:	3:3:2:	3:3:2:	N[5]-3:N[5]-3:	C[5,5]-3:C[6a]-3:P[5]-2:	C[5,5]-3:C[6a]-3:P[5]-2:	P[5](N[5]C[5,5]C[6a])2	N[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(P[5]N[5])	N[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(P[5]N[5])	P[5](N[5]C[5,5]C[6a])2{6|C<3>}	N[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(P[5]N[5]){1|C<4>,1|H<1>,6|C<3>}	N[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(P[5]N[5]){1|C<4>,1|H<1>,6|C<3>}	90.3345	0.302	5	90.2304	0.115	7	90.2304	0.115	7	89.2194	1.562	21	89.7072	2.644	32	89.2451	5.276	35
987	542	542	5:SP-NON_SP2_SP2	P[5]	N[5]	N[5]	3:3:	3:3:2:	3:3:2:	N[5]-3:N[5]-3:	C[5,5]-3:C[6a]-3:P[5]-2:	C[5,5]-3:C[6a]-3:P[5]-2:	P[5](N[5]C[5,5]C[6a])2	N[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(P[5]N[5])	N[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(P[5]N[5])	P[5](N[5]C[5,5]C[6a])2{6|C<3>}	N[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(P[5]N[5]){2|C<4>,6|C<3>}	N[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(P[5]N[5]){2|C<4>,6|C<3>}	89.9702	0.369	2	90.2304	0.115	7	90.2304	0.115	7	89.2194	1.562	21	89.7072	2.644	32	89.2451	5.276	35
987	542	542	5:SP-NON_SP2_SP2	P[5]	N[5]	N[5]	3:3:	3:3:2:	3:3:2:	N[5]-3:N[5]-3:	C[5,5a]-3:C[6a]-3:P[5]-2:	C[5,5a]-3:C[6a]-3:P[5]-2:	P[5](N[5]C[5,5a]C[6a])2	N[5](C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(P[5]N[5])	N[5](C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(P[5]N[5])	P[5](N[5]C[5,5a]C[6a])2{6|C<3>}	N[5](C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(P[5]N[5]){2|C<4>,6|C<3>}	N[5](C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(P[5]N[5]){2|C<4>,6|C<3>}	89.4247	0.000	1	89.4247	0.000	1	89.4247	0.000	1	89.2194	1.562	21	89.7072	2.644	32	89.2451	5.276	35
987	542	542	5:SP-NON_SP2_SP2	P[5]	N[5]	N[5]	3:3:	3:3:2:	3:3:2:	N[5]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:P[5]-2:	C[5,6a]-3:C[6a]-3:P[5]-2:	P[5](N[5]C[5,6a]C[6a])2	N[5](C[5,6a]C[5a,6a]C[5,6a])(C[6a]C[6a]2)(P[5]N[5])	N[5](C[5,6a]C[5a,6a]C[5,6a])(C[6a]C[6a]2)(P[5]N[5])	P[5](N[5]C[5,6a]C[6a])2{6|C<3>}	N[5](C[5,6a]C[5a,6a]C[5,6a])(C[6a]C[6a]2)(P[5]N[5]){2|H<1>,6|C<3>}	N[5](C[5,6a]C[5a,6a]C[5,6a])(C[6a]C[6a]2)(P[5]N[5]){2|H<1>,6|C<3>}	91.2780	0.000	1	91.2780	0.000	1	91.2780	0.000	1	89.2194	1.562	21	89.7072	2.644	32	89.2451	5.276	35
987	542	542	5:SP-NON_SP2_SP2	P[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:P[5]-2:	C[6a]-3:C[5]-3:P[5]-2:	P[5](N[5]C[6a]C[5])2	N[5](C[6a]C[6a]2)(C[5]C[5]C)(P[5]N[5])	N[5](C[6a]C[6a]2)(C[5]C[5]C)(P[5]N[5])	P[5](N[5]C[6a]C[5])2{2|C<4>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]C)(P[5]N[5]){3|C<3>,3|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]C)(P[5]N[5]){3|C<3>,3|C<4>}	88.0337	1.130	5	88.0337	1.278	5	88.4410	1.077	12	89.2194	1.562	21	89.7072	2.644	32	89.2451	5.276	35
987	542	542	5:SP-NON_SP2_SP2	P[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:P[5]-2:	C[6a]-3:C[5]-3:P[5]-2:	P[5](N[5]C[6a]C[5])2	N[5](C[6a]C[6a]2)(C[5]C[5]H)(P[5]N[5])	N[5](C[6a]C[6a]2)(C[5]C[5]H)(P[5]N[5])	P[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)(P[5]N[5]){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(P[5]N[5]){1|H<1>,2|C<4>,3|C<3>}	88.7319	0.941	7	88.7319	0.886	7	88.4410	1.077	12	89.2194	1.562	21	89.7072	2.644	32	89.2451	5.276	35
987	542	542	5:SP-NON_SP2_SP2	P[5]	N[5]	N[5]	3:3:	3:4:2:	3:4:2:	N[5]-3:N[5]-3:	C[5]-3:C-4:P[5]-2:	C[5]-3:C-4:P[5]-2:	P[5](N[5]C[5]C)2	N[5](C[5]C[5]H)(CC[5a]CH)(P[5]N[5])	N[5](C[5]C[5]H)(CC[5a]CH)(P[5]N[5])	P[5](N[5]C[5]C)2{2|H<1>}	N[5](C[5]C[5]H)(CC[5a]CH)(P[5]N[5]){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(CC[5a]CH)(P[5]N[5]){1|C<4>,1|H<1>}	89.5263	0.000	1	89.5263	0.000	1	89.5263	0.000	1	90.9133	5.326	3	89.7072	2.644	32	89.2451	5.276	35
987	542	542	5:SP-NON_SP2_SP2	P[5]	N[5]	N[5]	3:3:	3:4:2:	3:4:2:	N[5]-3:N[5]-3:	C[6a]-3:C[5]-4:P[5]-2:	C[6a]-3:C[5]-4:P[5]-2:	P[5](N[5]C[6a]C[5])2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5])	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5])	P[5](N[5]C[6a]C[5])2{4|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]){2|C<4>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]){2|C<4>,2|H<1>,3|C<3>}	89.6364	0.000	1	91.6068	7.765	2	91.6068	7.765	2	90.9133	5.326	3	89.7072	2.644	32	89.2451	5.276	35
987	542	542	5:SP-NON_SP2_SP2	P[5]	N[5]	N[5]	3:3:	3:4:2:	3:4:2:	N[5]-3:N[5]-3:	C[6a]-3:C[5]-4:P[5]-2:	C[6a]-3:C[5]-4:P[5]-2:	P[5](N[5]C[6a]C[5])2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5])	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5])	P[5](N[5]C[6a]C[5])2{4|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]){3|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]){3|C<3>,4|H<1>}	93.5773	0.000	1	91.6068	7.765	2	91.6068	7.765	2	90.9133	5.326	3	89.7072	2.644	32	89.2451	5.276	35
987	542	542	5:SP-NON_SP2_SP2	P[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:P[5]-2:	C[6]-4:C[5]-3:P[5]-2:	P[5](N[5]C[5]C[6])2	N[5](C[6]C[6,6a]C[6]H)(C[5]C[5]H)(P[5]N[5])	N[5](C[6]C[6,6a]C[6]H)(C[5]C[5]H)(P[5]N[5])	P[5](N[5]C[5]C[6])2{2|C<3>,2|C<4>,4|H<1>}	N[5](C[6]C[6,6a]C[6]H)(C[5]C[5]H)(P[5]N[5]){2|C<3>,2|C<4>,3|H<1>}	N[5](C[6]C[6,6a]C[6]H)(C[5]C[5]H)(P[5]N[5]){2|C<3>,2|C<4>,3|H<1>}	89.0095	0.000	1	89.0095	0.000	1	89.6176	0.752	5	89.6176	0.752	5	89.7072	2.644	32	89.2451	5.276	35
987	542	542	5:SP-NON_SP2_SP2	P[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:P[5]-2:	C[6]-4:C[5]-3:P[5]-2:	P[5](N[5]C[5]C[6])2	N[5](C[6]C[6]2H)(C[5]C[5]H)(P[5]N[5])	N[5](C[6]C[6]2H)(C[5]C[5]H)(P[5]N[5])	P[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)(P[5]N[5]){3|C<4>,5|H<1>}	N[5](C[6]C[6]2H)(C[5]C[5]H)(P[5]N[5]){3|C<4>,5|H<1>}	89.7696	0.921	4	89.7696	0.849	4	89.6176	0.752	5	89.6176	0.752	5	89.7072	2.644	32	89.2451	5.276	35
987	542	727	5:SP-NON_SP2_SP2	P[5]	N[5]	C[5,6a]	3:3:	3:3:2:	3:3:2:	C[5,6a]-3:N[5]-3:	C[5]-3:C[6a]-3:P[5]-2:	C[5,6a]-3:C[6a]-3:P[5]-2:	P[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])	N[5](C[5]C[5,6a]H)(C[6a]C[6a]2)(P[5]C[5,6a])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(P[5]N[5])	P[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5]){1|C<4>,1|H<1>,4|C<3>}	N[5](C[5]C[5,6a]H)(C[6a]C[6a]2)(P[5]C[5,6a]){2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(P[5]N[5]){2|C<3>,3|H<1>}	89.9088	0.000	1	89.9088	0.000	1	89.9088	0.000	1	89.9088	0.000	1	89.9088	0.000	1	89.9088	0.000	1
987	542	818	5:SP-NON_SP2_SP2	P[5]	N[5,5]	C[5,5]	3:3:	3:3:2:	3:2:2:	N[5,5]-3:C[5,5]-3:	C[5,6a]-3:C[5,5]-3:P[5]-2:	N[5,5]-3:S[5]-2:P[5]-2:	P[5](N[5,5]C[5,6a]C[5,5])(C[5,5]N[5,5]S[5])	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]S[5])(P[5]C[5,5])	C[5,5](N[5,5]C[5,6a]C[5,5])(S[5]C[5,6a])(P[5]N[5,5])	P[5](N[5,5]C[5,6a]C[5,5])(C[5,5]N[5,5]S[5]){1|S<2>,4|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]S[5])(P[5]C[5,5]){1|H<1>,1|S<2>,3|C<3>}	C[5,5](N[5,5]C[5,6a]C[5,5])(S[5]C[5,6a])(P[5]N[5,5]){1|S<2>,3|C<3>}	85.2802	0.000	1	85.2802	0.000	1	85.2802	0.000	1	85.2802	0.000	1	85.2802	0.000	1	87.6711	4.098	26
987	542	818	5:SP-NON_SP2_SP2	P[5]	N[5,5]	C[5,6]	3:3:	3:3:2:	3:4:2:	N[5,5]-3:C[5,6]-3:	C[5,6]-3:N[5,5]-3:P[5]-2:	C[5,6]-3:C[6]-4:P[5]-2:	P[5](N[5,5]C[5,6]N[5,5])(C[5,6]C[5,6]C[6])	N[5,5](C[5,6]C[5,6]C[6])(N[5,5]C[5,6]P[5])(P[5]C[5,6])	C[5,6](C[5,6]N[5,5]C[6])(C[6]C[6]HH)(P[5]N[5,5])	P[5](N[5,5]C[5,6]N[5,5])(C[5,6]C[5,6]C[6]){1|C<3>,1|P<2>,2|H<1>,3|C<4>}	N[5,5](C[5,6]C[5,6]C[6])(N[5,5]C[5,6]P[5])(P[5]C[5,6]){2|H<1>,4|C<4>}	C[5,6](C[5,6]N[5,5]C[6])(C[6]C[6]HH)(P[5]N[5,5]){1|C<3>,1|C<4>,1|P<2>,4|H<1>}	88.2364	0.805	4	88.3268	0.527	5	88.3268	0.527	5	88.3268	0.527	5	88.3268	0.527	5	87.6711	4.098	26
987	542	818	5:SP-NON_SP2_SP2	P[5]	N[5,5]	C[5,6]	3:3:	3:3:2:	3:4:2:	N[5,5]-3:C[5,6]-3:	C[5,6]-3:N[5,5]-3:P[5]-2:	C[5,6]-3:C[6]-4:P[5]-2:	P[5](N[5,5]C[5,6]N[5,5])(C[5,6]C[5,6]C[6])	N[5,5](C[5,6]C[5,6]C[6])(N[5,5]C[5,6]P[5])(P[5]C[5,6])	C[5,6](C[5,6]N[5,5]C[6])(C[6]C[6]HH)(P[5]N[5,5])	P[5](N[5,5]C[5,6]N[5,5])(C[5,6]C[5,6]C[6]){1|C<3>,1|P<3>,2|H<1>,3|C<4>}	N[5,5](C[5,6]C[5,6]C[6])(N[5,5]C[5,6]P[5])(P[5]C[5,6]){1|Sn<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6]N[5,5]C[6])(C[6]C[6]HH)(P[5]N[5,5]){1|C<3>,1|C<4>,1|P<3>,4|H<1>}	88.6887	0.000	1	88.3268	0.527	5	88.3268	0.527	5	88.3268	0.527	5	88.3268	0.527	5	87.6711	4.098	26
987	542	818	5:SP-NON_SP2_SP2	P[5]	N[5,6]	C[5,6]	3:3:	3:2:3:	3:2:3:	C[5,6]-3:N[5,6]-3:	C[5,6]-3:P[5]-2:C[6]-3:	N[5,6]-3:P[5]-2:C[6]-3:	P[5](C[5,6]N[5,6]C[6])(N[5,6]C[5,6]C[6])	N[5,6](C[5,6]N[5,6]C[6])(P[5]C[5,6])(C[6]C[6]H)	C[5,6](N[5,6]C[5,6]C[6])(P[5]N[5,6])(C[6]C[6]H)	P[5](C[5,6]N[5,6]C[6])(N[5,6]C[5,6]C[6]){2|H<1>,4|C<3>}	N[5,6](C[5,6]N[5,6]C[6])(P[5]C[5,6])(C[6]C[6]H){2|H<1>,3|C<3>}	C[5,6](N[5,6]C[5,6]C[6])(P[5]N[5,6])(C[6]C[6]H){2|H<1>,3|C<3>}	87.0893	0.000	2	87.0893	0.000	2	87.0893	0.000	2	87.0893	0.000	2	87.0414	0.022	4	87.6711	4.098	26
987	542	818	5:SP-NON_SP2_SP2	P[5]	N[5,6]	C[5,6]	3:3:	3:3:2:	3:2:3:	N[5,6]-3:C[5,6]-3:	C[6,6a]-3:C[5,6]-3:P[5]-2:	N[5,6]-3:P[5]-2:C[6]-3:	P[5](N[5,6]C[6,6a]C[5,6])(C[5,6]N[5,6]C[6])	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[6])(P[5]C[5,6])	C[5,6](N[5,6]C[6,6a]C[5,6])(P[5]N[5,6])(C[6]C[6]H)	P[5](N[5,6]C[6,6a]C[5,6])(C[5,6]N[5,6]C[6]){1|H<1>,5|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[6])(P[5]C[5,6]){2|H<1>,5|C<3>}	C[5,6](N[5,6]C[6,6a]C[5,6])(P[5]N[5,6])(C[6]C[6]H){1|H<1>,4|C<3>}	86.8244	0.000	1	86.8244	0.000	1	86.8244	0.000	1	86.8244	0.000	1	87.0414	0.022	4	87.6711	4.098	26
987	542	818	5:SP-NON_SP2_SP2	P[5]	N[5,6]	C[5,6]	3:3:	3:3:2:	3:3:2:	C[5,6]-3:N[5,6]-3:	C[5,6]-3:C[6,6a]-3:P[5]-2:	C[6,6a]-3:N[5,6]-3:P[5]-2:	P[5](C[5,6]C[6,6a]N[5,6])(N[5,6]C[6,6a]C[5,6])	N[5,6](C[5,6]C[6,6a]N[5,6])(C[6,6a]C[6,6a]C[6a])(P[5]C[5,6])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6,6a]C[5,6])(P[5]N[5,6])	P[5](C[5,6]C[6,6a]N[5,6])(N[5,6]C[6,6a]C[5,6]){6|C<3>}	N[5,6](C[5,6]C[6,6a]N[5,6])(C[6,6a]C[6,6a]C[6a])(P[5]C[5,6]){1|H<1>,6|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6,6a]C[5,6])(P[5]N[5,6]){1|H<1>,6|C<3>}	87.1627	0.000	1	87.1627	0.000	1	87.1627	0.000	1	87.1627	0.000	1	87.0414	0.022	4	87.6711	4.098	26
987	542	818	5:SP-NON_SP2_SP2	P[5]	N[5]	C[5]	3:3:	2:2:4:	2:2:3:	N[5]-3:C[5]-3:	P[5]-2:P[5]-2:Si-4:	N[5]-2:P[5]-2:N-3:	P[5](N[5]P[5]Si)(C[5]N[5]N)	N[5](P[5]C[5])(P[5]N[5])(SiSi3)	C[5](N[5]P[5])(P[5]N[5])(NSiC)	P[5](N[5]P[5]Si)(C[5]N[5]N)	N[5](P[5]C[5])(P[5]N[5])(SiSi3){1|N<3>}	C[5](N[5]P[5])(P[5]N[5])(NSiC){1|Si<4>}	93.5135	0.000	1	93.5135	0.000	1	93.5135	0.000	1	93.5135	0.000	1	87.7731	6.044	16	87.6711	4.098	26
987	542	818	5:SP-NON_SP2_SP2	P[5]	N[5]	C[5]	3:3:	3:2:1:	3:2:4:	C[5]-3:N[5]-3:	N[5]-3:P[5]-2:H-1:	C[5]-3:P[5]-2:C-4:	P[5](C[5]C[5]C)(N[5]N[5]H)	N[5](N[5]C[5]Ni)(P[5]C[5])(H)	C[5](C[5]N[5]C)(P[5]N[5])(CH3)	P[5](C[5]C[5]C)(N[5]N[5]H){1|Ni<4>,1|C<4>}	N[5](N[5]C[5]Ni)(P[5]C[5])(H){2|C<4>}	C[5](C[5]N[5]C)(P[5]N[5])(CH3){1|Ni<4>,1|H<1>}	89.2245	0.005	2	89.2245	0.000	2	89.2245	0.000	2	89.2245	0.000	2	87.7731	6.044	16	87.6711	4.098	26
987	542	818	5:SP-NON_SP2_SP2	P[5]	N[5]	C[5]	3:3:	3:2:2:	3:2:2:	N[5]-3:C[5]-3:	C[6a]-3:P[5]-2:P[5]-2:	N[5]-3:P[5]-2:N-2:	P[5](N[5]C[6a]P[5])(C[5]N[5]N)	N[5](C[6a]C[6a]2)(P[5]C[5])(P[5]N[5])	C[5](N[5]C[6a]P[5])(P[5]N[5])(NC[6a])	P[5](N[5]C[6a]P[5])(C[5]N[5]N){3|C<3>}	N[5](C[6a]C[6a]2)(P[5]C[5])(P[5]N[5]){1|N<2>,5|C<3>}	C[5](N[5]C[6a]P[5])(P[5]N[5])(NC[6a]){3|C<3>}	92.6377	0.000	1	92.6377	0.000	1	92.6377	0.000	1	92.6377	0.000	1	87.7731	6.044	16	87.6711	4.098	26
987	542	818	5:SP-NON_SP2_SP2	P[5]	N[5]	C[5]	3:3:	3:2:4:	2:2:4:	C[5]-3:N[5]-3:	N[5]-3:P[5]-2:C-4:	N[5]-2:P[5]-2:C-4:	P[5](C[5]N[5]C)(N[5]N[5]C)	N[5](N[5]N[5]Re)(P[5]C[5])(CC[6]HH)	C[5](N[5]N[5])(P[5]N[5])(CC3)	P[5](C[5]N[5]C)(N[5]N[5]C){1|Re<6>}	N[5](N[5]N[5]Re)(P[5]C[5])(CC[6]HH){1|C<4>}	C[5](N[5]N[5])(P[5]N[5])(CC3){1|Re<6>,1|C<4>}	86.1888	0.000	1	86.1888	0.000	1	86.1888	0.000	1	86.4450	0.131	2	87.7731	6.044	16	87.6711	4.098	26
987	542	818	5:SP-NON_SP2_SP2	P[5]	N[5]	C[5]	3:3:	3:2:4:	2:2:4:	C[5]-3:N[5]-3:	N[5]-3:P[5]-2:C-4:	N[5]-2:P[5]-2:Si-4:	P[5](C[5]N[5]Si)(N[5]N[5]C)	N[5](N[5]N[5]Re)(P[5]C[5])(CC[6]HH)	C[5](N[5]N[5])(P[5]N[5])(SiC3)	P[5](C[5]N[5]Si)(N[5]N[5]C){1|Re<6>}	N[5](N[5]N[5]Re)(P[5]C[5])(CC[6]HH){1|Si<4>}	C[5](N[5]N[5])(P[5]N[5])(SiC3){1|Re<6>,1|C<4>}	86.7012	0.000	1	86.7012	0.000	1	86.7012	0.000	1	86.4450	0.131	2	87.7731	6.044	16	87.6711	4.098	26
987	542	818	5:SP-NON_SP2_SP2	P[5]	N[5]	C[5]	3:3:	3:4:2:	3:2:4:	N[5]-3:C[5]-3:	N[5]-3:Si-4:P[5]-2:	C[5]-3:P[5]-2:C-4:	P[5](N[5]N[5]Si)(C[5]C[5]C)	N[5](N[5]C[5]Co)(SiN[5]CC)(P[5]C[5])	C[5](C[5]N[5]C)(P[5]N[5])(CH3)	P[5](N[5]N[5]Si)(C[5]C[5]C){1|Co<4>,1|C<4>}	N[5](N[5]C[5]Co)(SiN[5]CC)(P[5]C[5]){2|C<4>}	C[5](C[5]N[5]C)(P[5]N[5])(CH3){1|Co<4>,1|Si<4>}	90.2786	0.000	1	90.2786	0.000	1	90.2786	0.000	1	90.2786	0.000	1	87.7731	6.044	16	87.6711	4.098	26
987	542	818	5:SP-NON_SP2_SP2	P[5]	N[5]	C[5]	3:3:	4:2:2:	2:2:4:	C[5]-3:N[5]-3:	C-4:N[5]-2:P[5]-2:	N[5]-2:P[5]-2:C-4:	P[5](C[5]N[5]C)(N[5]N[5]C)	N[5](CC[6a]HH)(N[5]N[5])(P[5]C[5])	C[5](N[5]N[5])(P[5]N[5])(CC3)	P[5](C[5]N[5]C)(N[5]N[5]C)	N[5](CC[6a]HH)(N[5]N[5])(P[5]C[5]){1|C<4>}	C[5](N[5]N[5])(P[5]N[5])(CC3){1|C<4>}	86.2915	0.112	3	86.2915	0.013	3	86.2919	0.008	4	86.2913	0.011	8	87.7731	6.044	16	87.6711	4.098	26
987	542	818	5:SP-NON_SP2_SP2	P[5]	N[5]	C[5]	3:3:	4:2:2:	2:2:4:	C[5]-3:N[5]-3:	C-4:N[5]-2:P[5]-2:	N[5]-2:P[5]-2:C-4:	P[5](C[5]N[5]C)(N[5]N[5]C)	N[5](CC[6a]HH)(N[5]N[5])(P[5]C[5])	C[5](N[5]N[5])(P[5]N[5])(CH3)	P[5](C[5]N[5]C)(N[5]N[5]C)	N[5](CC[6a]HH)(N[5]N[5])(P[5]C[5]){1|C<4>}	C[5](N[5]N[5])(P[5]N[5])(CH3){1|C<4>}	86.2929	0.000	1	86.2929	0.000	1	86.2919	0.008	4	86.2913	0.011	8	87.7731	6.044	16	87.6711	4.098	26
987	542	818	5:SP-NON_SP2_SP2	P[5]	N[5]	C[5]	3:3:	4:2:2:	2:2:4:	N[5]-3:C[5]-3:	C[5]-4:N[5]-2:P[5]-2:	N[5]-2:P[5]-2:C-4:	P[5](N[5]C[5]N[5])(C[5]N[5]C)	N[5](C[5]C[5]2Fe)(N[5]N[5])(P[5]C[5])	C[5](N[5]N[5])(P[5]N[5])(CC3)	P[5](N[5]C[5]N[5])(C[5]N[5]C){1|Fe<10>,2|C<4>}	N[5](C[5]C[5]2Fe)(N[5]N[5])(P[5]C[5]){2|H<1>,3|C<4>}	C[5](N[5]N[5])(P[5]N[5])(CC3){1|C<4>}	86.3407	0.095	2	86.3407	0.009	2	86.2908	0.017	4	86.2913	0.011	8	87.7731	6.044	16	87.6711	4.098	26
987	542	818	5:SP-NON_SP2_SP2	P[5]	N[5]	C[5]	3:3:	4:2:2:	2:2:4:	N[5]-3:C[5]-3:	C[5]-4:N[5]-2:P[5]-2:	N[5]-2:P[5]-2:C-4:	P[5](N[5]C[5]N[5])(C[5]N[5]C)	N[5](C[5]C[5]2Fe)(N[5]N[5])(P[5]C[5])	C[5](N[5]N[5])(P[5]N[5])(CH3)	P[5](N[5]C[5]N[5])(C[5]N[5]C){1|Fe<10>,2|C<4>}	N[5](C[5]C[5]2Fe)(N[5]N[5])(P[5]C[5]){2|H<1>,3|C<4>}	C[5](N[5]N[5])(P[5]N[5])(CH3){1|C<4>}	86.2409	0.177	2	86.2409	0.031	2	86.2908	0.017	4	86.2913	0.011	8	87.7731	6.044	16	87.6711	4.098	26
987	542	818	5:SP-NON_SP2_SP2	P[5]	N[5]	C[5]	3:3:	4:2:2:	3:2:4:	N[5]-3:C[5]-3:	C[5]-4:N[5]-2:P[5]-2:	N[5]-3:P[5]-2:C-4:	P[5](N[5]C[5]N[5])(C[5]N[5]C)	N[5](C[5]C[5]2Fe)(N[5]N[5])(P[5]C[5])	C[5](N[5]N[5]H)(P[5]N[5])(CC3)	P[5](N[5]C[5]N[5])(C[5]N[5]C){1|Fe<10>,1|H<1>,2|C<4>}	N[5](C[5]C[5]2Fe)(N[5]N[5])(P[5]C[5]){3|C<4>,3|H<1>}	C[5](N[5]N[5]H)(P[5]N[5])(CC3){1|C<4>}	86.2697	0.000	1	86.2697	0.000	1	86.2697	0.000	1	86.2697	0.000	1	87.7731	6.044	16	87.6711	4.098	26
987	542	818	5:SP-NON_SP2_SP3	P[5]	N[5]	C[5]	3:3:	2:2:4:	3:2:2:	N[5]-3:C[5]-3:	P[5]-2:P[5]-2:Si-4:	N-3:N[5]-2:P[5]-2:	P[5](N[5]P[5]Si)(C[5]N[5]N)	N[5](P[5]C[5])(P[5]N[5])(SiSi3)	C[5](NC[6a]Si)(N[5]P[5])(P[5]N[5])	P[5](N[5]P[5]Si)(C[5]N[5]N)	N[5](P[5]C[5])(P[5]N[5])(SiSi3){1|N<3>}	C[5](NC[6a]Si)(N[5]P[5])(P[5]N[5]){1|Si<4>}	91.7962	0.000	1	91.7962	0.000	1	91.7962	0.000	1	91.7962	0.000	1	95.1433	46.832	3	95.1433	46.832	3
987	542	818	5:SP-NON_SP2_SP3	P[5]	N[5]	C[5]	3:3:	3:3:2:	3:2:4:	N[5]-3:C[5]-3:	P[3,5]-3:C[6a]-3:P[5]-2:	P[3,5]-3:P[5]-2:C-4:	P[5](N[5]P[3,5]C[6a])(C[5]P[3,5]C)	N[5](P[3,5]P[3,5]N[3])(C[6a]C[6a]2)(P[5]C[5])	C[5](P[3,5]P[3,5]N[3])(P[5]N[5])(CC3)	P[5](N[5]P[3,5]C[6a])(C[5]P[3,5]C){1|N<3>,2|C<3>}	N[5](P[3,5]P[3,5]N[3])(C[6a]C[6a]2)(P[5]C[5]){1|C<4>,5|C<3>}	C[5](P[3,5]P[3,5]N[3])(P[5]N[5])(CC3){2|C<3>}	103.0160	0.000	1	103.0160	0.000	1	103.0160	0.000	1	103.0160	0.000	1	95.1433	46.832	3	95.1433	46.832	3
987	542	818	5:SP-NON_SP2_SP3	P[5]	N[5]	C[5]	3:3:	3:4:2:	3:2:4:	N[5]-3:C[5]-3:	N[5]-3:Si-4:P[5]-2:	C[5]-3:P[5]-2:C-4:	P[5](N[5]N[5]Si)(C[5]C[5]C)	N[5](N[5]C[5]Co)(SiN[5]CC)(P[5]C[5])	C[5](C[5]N[5]C)(P[5]N[5])(CH3)	P[5](N[5]N[5]Si)(C[5]C[5]C){1|Co<4>,1|C<4>}	N[5](N[5]C[5]Co)(SiN[5]CC)(P[5]C[5]){2|C<4>}	C[5](C[5]N[5]C)(P[5]N[5])(CH3){1|Co<4>,1|Si<4>}	90.6177	0.000	1	90.6177	0.000	1	90.6177	0.000	1	90.6177	0.000	1	95.1433	46.832	3	95.1433	46.832	3
987	542	960	5:SP-NON_SP2_SP2	P[5]	N[5]	N[5]	3:2:	2:2:4:	3:2:	N[5]-3:N[5]-2:	P[5]-2:P[5]-2:Si-4:	C[5]-3:P[5]-2:	P[5](N[5]P[5]Si)(N[5]C[5])	N[5](P[5]C[5])(P[5]N[5])(SiSi3)	N[5](C[5]P[5]N)(P[5]N[5])	P[5](N[5]P[5]Si)(N[5]C[5]){1|N<3>}	N[5](P[5]C[5])(P[5]N[5])(SiSi3){1|N<3>}	N[5](C[5]P[5]N)(P[5]N[5]){1|Si<4>}	98.9583	0.000	1	98.9583	0.000	1	98.9583	0.000	1	98.9583	0.000	1	98.9583	0.000	1	98.9583	0.000	1
987	542	960	5:SP-NON_SP2_SP3	P[5]	N[5]	N[5]	3:2:	2:2:4:	3:2:	N[5]-3:N[5]-2:	P[5]-2:P[5]-2:Si-4:	C[5]-3:P[5]-2:	P[5](N[5]P[5]Si)(N[5]C[5])	N[5](P[5]C[5])(P[5]N[5])(SiSi3)	N[5](C[5]P[5]N)(P[5]N[5])	P[5](N[5]P[5]Si)(N[5]C[5]){1|N<3>}	N[5](P[5]C[5])(P[5]N[5])(SiSi3){1|N<3>}	N[5](C[5]P[5]N)(P[5]N[5]){1|Si<4>}	100.0100	0.000	1	100.0100	0.000	1	100.0100	0.000	1	100.0100	0.000	1	100.0100	0.000	1	100.0100	0.000	1
987	606	818	5:SP-NON_SP2_SP3	P[5]	Ge[5]	C[5]	4:3:	3:2:4:4:	3:2:4:	Ge[5]-4:C[5]-3:	C[5]-3:P[5]-2:C-4:C-4:	P[5]-3:P[5]-2:C-4:	P[5](Ge[5]C[5]CC)(C[5]P[5]C)	Ge[5](C[5]P[5]C)(P[5]C[5])(CSi2H)2	C[5](P[5]C[5]W)(P[5]Ge[5])(CH3)	P[5](Ge[5]C[5]CC)(C[5]P[5]C){1|C<4>,1|W<6>}	Ge[5](C[5]P[5]C)(P[5]C[5])(CSi2H)2{1|C<4>,1|W<6>}	C[5](P[5]C[5]W)(P[5]Ge[5])(CH3){3|C<4>}	96.1071	0.000	1	96.1071	0.000	1	96.1071	0.000	1	96.1071	0.000	1	96.1071	0.000	1	96.1071	0.000	1
987	727	818	5:SP-NON_SP2_SP2	P[5]	C[5,6a]	C[5]	3:3:	3:3:2:	2:2:4:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:P[5]-2:	O[5]-2:P[5]-2:C-4:	P[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]C)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(P[5]C[5])	C[5](O[5]C[5,6a])(P[5]C[5,6a])(CC3)	P[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]C){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(P[5]C[5]){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](O[5]C[5,6a])(P[5]C[5,6a])(CC3){2|C<3>}	88.3451	0.000	1	88.3451	0.000	1	88.3451	0.000	1	88.3451	0.000	1	88.5803	0.272	10	88.5803	0.272	10
987	727	818	5:SP-NON_SP2_SP2	P[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:P[5]-2:	N[5]-3:P[5]-2:H-1:	P[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(P[5]C[5])	C[5](N[5]C[5,6a]C)(P[5]C[5,6a])(H)	P[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(P[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[5](N[5]C[5,6a]C)(P[5]C[5,6a])(H){2|C<3>}	88.2326	0.083	2	88.2326	0.007	2	88.2326	0.007	2	88.2326	0.007	2	88.5803	0.272	10	88.5803	0.272	10
987	727	818	5:SP-NON_SP2_SP2	P[5]	C[5,6a]	C[5]	3:3:	3:3:2:	3:2:2:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:P[5]-2:	C[6a]-3:O[5]-2:P[5]-2:	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5])	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]C[6a]H)(P[5]C[5])	C[5](C[6a]C[6a]2)(O[5]C[5,6a])(P[5]C[5,6a])	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]C[6a]H)(P[5]C[5]){1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(O[5]C[5,6a])(P[5]C[5,6a]){2|H<1>,4|C<3>}	87.8763	0.000	1	87.8763	0.000	1	88.4004	0.206	3	88.4004	0.206	3	88.5803	0.272	10	88.5803	0.272	10
987	727	818	5:SP-NON_SP2_SP2	P[5]	C[5,6a]	C[5]	3:3:	3:3:2:	3:2:2:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:P[5]-2:	C[6a]-3:O[5]-2:P[5]-2:	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(P[5]C[5])	C[5](C[6a]C[6a]2)(O[5]C[5,6a])(P[5]C[5,6a])	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]){1|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(P[5]C[5]){2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(O[5]C[5,6a])(P[5]C[5,6a]){2|H<1>,4|C<3>}	88.6624	0.028	2	88.6624	0.001	2	88.4004	0.206	3	88.4004	0.206	3	88.5803	0.272	10	88.5803	0.272	10
987	727	818	5:SP-NON_SP2_SP2	P[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:P[5]-2:	N[5]-3:P[5]-2:P-3:	P[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]P)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(P[5]C[5])	C[5](N[5]C[5,6a]C)(P[5]C[5,6a])(PCC)	P[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]P){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(P[5]C[5]){1|C<3>,1|C<4>,1|P<3>,2|H<1>}	C[5](N[5]C[5,6a]C)(P[5]C[5,6a])(PCC){2|C<3>}	89.8159	0.000	1	89.8159	0.000	1	89.8159	0.000	1	89.8159	0.000	1	88.5803	0.272	10	88.5803	0.272	10
987	727	818	5:SP-NON_SP2_SP2	P[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:P[5]-2:	C[6a]-3:N[5]-3:P[5]-2:	P[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)(P[5]C[5])	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[5,6a]H)(P[5]C[5,6a])	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(P[5]C[5]){2|C<3>,3|H<1>}	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[5,6a]H)(P[5]C[5,6a]){1|H<1>,5|C<3>}	88.7309	0.000	1	88.7309	0.000	1	88.6585	0.043	3	88.6585	0.043	3	88.5803	0.272	10	88.5803	0.272	10
987	727	818	5:SP-NON_SP2_SP2	P[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:P[5]-2:	C[6a]-3:N[5]-3:P[5]-2:	P[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)(P[5]C[5])	C[5](C[6a]C[6a]N[6a])(N[5]C[5,6a]H)(P[5]C[5,6a])	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]){1|N<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(P[5]C[5]){2|C<3>,3|H<1>}	C[5](C[6a]C[6a]N[6a])(N[5]C[5,6a]H)(P[5]C[5,6a]){1|H<1>,4|C<3>}	88.6223	0.279	2	88.6223	0.078	2	88.6585	0.043	3	88.6585	0.043	3	88.5803	0.272	10	88.5803	0.272	10
987	727	955	5:SP-NON_SP2_SP3	P[5]	C[5,6a]	P[5]	3:4:	3:3:2:	3:2:4:4:	C[5,6a]-3:P[5]-4:	C[5,6a,6a]-3:C[6a]-3:P[5]-2:	C[5,6a]-3:P[5]-2:C-4:C-4:	P[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]CC)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5])	P[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a])(CCCH)2	P[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]CC){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]){1|H<1>,2|C<4>,3|C<3>}	P[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a])(CCCH)2{1|H<1>,3|C<3>}	89.2719	0.000	1	89.2719	0.000	1	89.2719	0.000	1	89.2719	0.000	1	89.2719	0.000	1	89.2719	0.000	1