217	643	952	0:SP2_SP2_SP3	N[6a]	C[6a]	S	3:2:4:	3:3:1:	3:3:1:1:	C[6a]-3:N[6a]-2:S-4:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-3:C[6a]-3:O-1:O-1:	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(SC[6a]OO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]S)(O)	S(N[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)2	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(SC[6a]OO){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]S)(O){1|H<1>,3|C<3>}	S(N[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)2	118.8920	0.000	1	118.8920	0.000	1	118.8920	0.000	1	118.8920	0.000	1	118.8734	7.872	13	118.8734	7.872	13
217	643	952	0:SP2_SP2_SP3	N[6a]	C[6a]	S	3:3:4:	2:3:1:	3:3:1:1:	C[6a]-3:C[6a]-3:S-4:	N[6a]-2:N[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:O-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(SC[6a]OO)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]S)(H)	S(C[6a]C[6a]2)(N[6a]C[6a]2)(O)2	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(SC[6a]OO){2|C<3>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]S)(H){1|C<3>,1|O<1>,1|S<2>}	S(C[6a]C[6a]2)(N[6a]C[6a]2)(O)2	117.7410	0.000	1	117.7410	0.000	1	119.1260	3.836	2	119.1260	3.836	2	118.8734	7.872	13	118.8734	7.872	13
217	643	952	0:SP2_SP2_SP3	N[6a]	C[6a]	S	3:3:4:	2:3:1:	3:3:1:1:	C[6a]-3:C[6a]-3:S-4:	N[6a]-2:N[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(SC[6a]OO)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]S)(H)	S(C[6a]C[6a]2)(N[6a]C[6a]2)(O)2	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(SC[6a]OO){2|C<3>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]S)(H){1|O<1>,2|C<3>}	S(C[6a]C[6a]2)(N[6a]C[6a]2)(O)2	120.5110	0.000	1	120.5110	0.000	1	119.1260	3.836	2	119.1260	3.836	2	118.8734	7.872	13	118.8734	7.872	13
217	643	952	0:SP2_SP2_SP3	N[6a]	C[6a]	S	3:3:4:	2:3:2:	3:3:1:1:	C[6a]-3:C[6a]-3:S-4:	N[6a]-2:N[6a]-3:S-2:	C[6a]-3:N[6a]-3:O-1:O-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S)(SC[6a]OO)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]S)(SC)	S(C[6a]C[6a]2)(N[6a]C[6a]2)(O)2	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S)(SC[6a]OO){2|C<3>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]S)(SC){1|C<3>,1|O<1>,1|S<2>}	S(C[6a]C[6a]2)(N[6a]C[6a]2)(O)2	125.0220	0.000	1	125.0220	0.000	1	125.0220	0.000	1	125.0220	0.000	1	118.8734	7.872	13	118.8734	7.872	13
217	643	952	0:SP2_SP2_SP3	N[6a]	C[6a]	S	3:3:4:	3:3:1:	3:3:1:1:	C[6a]-3:C[6a]-3:S-4:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:O-1:O-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(SC[6a]OO)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]S)(O)	S(C[6a]C[6a]2)(N[6a]C[6a]2)(O)2	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(SC[6a]OO){2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]S)(O){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|S<2>}	S(C[6a]C[6a]2)(N[6a]C[6a]2)(O)2	119.2240	0.000	1	119.2240	0.000	1	116.4555	15.329	2	117.2624	3.911	7	118.8734	7.872	13	118.8734	7.872	13
217	643	952	0:SP2_SP2_SP3	N[6a]	C[6a]	S	3:3:4:	3:3:1:	3:3:1:1:	C[6a]-3:C[6a]-3:S-4:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:O-1:O-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S)(SC[6a]OO)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]S)(O)	S(C[6a]C[6a]2)(N[6a]C[6a]2)(O)2	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S)(SC[6a]OO){2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]S)(O){1|C<3>,1|C<4>,1|N<2>,2|S<2>}	S(C[6a]C[6a]2)(N[6a]C[6a]2)(O)2	113.6870	0.000	1	113.6870	0.000	1	116.4555	15.329	2	117.2624	3.911	7	118.8734	7.872	13	118.8734	7.872	13
217	643	952	0:SP2_SP2_SP3	N[6a]	C[6a]	S	3:3:4:	3:3:1:	3:3:1:1:	C[6a]-3:C[6a]-3:S-4:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:O-1:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]S)(O)	S(C[6a]C[6a]2)(N[6a]C[6a]2)(O)2	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(SC[6a]OO){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]S)(O){1|H<1>,4|C<3>}	S(C[6a]C[6a]2)(N[6a]C[6a]2)(O)2	116.2800	0.260	2	116.2800	0.068	2	116.9173	1.252	3	117.2624	3.911	7	118.8734	7.872	13	118.8734	7.872	13
217	643	952	0:SP2_SP2_SP3	N[6a]	C[6a]	S	3:3:4:	3:3:1:	3:3:1:1:	C[6a]-3:C[6a]-3:S-4:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:O-1:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(SC[6a]OO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]S)(O)	S(C[6a]C[6a]2)(N[6a]C[6a]2)(O)2	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(SC[6a]OO){2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]S)(O){1|N<2>,2|C<3>,2|H<1>}	S(C[6a]C[6a]2)(N[6a]C[6a]2)(O)2	118.1920	0.000	1	118.1920	0.000	1	116.9173	1.252	3	117.2624	3.911	7	118.8734	7.872	13	118.8734	7.872	13
217	643	952	0:SP2_SP2_SP3	N[6a]	C[6a]	S	3:3:4:	3:3:1:	3:3:1:1:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:O-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a]OO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]S)(H)	S(C[6a]C[6a]2)(N[6a]C[6a]2)(O)2	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a]OO){1|Si<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]S)(H){1|C<3>,1|H<1>,1|O<1>}	S(C[6a]C[6a]2)(N[6a]C[6a]2)(O)2	119.0670	0.000	1	119.0670	0.000	1	119.0670	0.000	1	117.2624	3.911	7	118.8734	7.872	13	118.8734	7.872	13
217	643	952	0:SP2_SP2_SP3	N[6a]	C[6a]	S	3:3:4:	3:3:1:	3:3:1:1:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:O-1:O-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a]OO)	C[6a](C[6a]C[6a]Si)(N[6a]C[6a]S)(O)	S(C[6a]C[6a]2)(N[6a]C[6a]2)(O)2	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a]OO){1|Si<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Si)(N[6a]C[6a]S)(O){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(N[6a]C[6a]2)(O)2	118.1070	0.000	1	118.1070	0.000	1	118.1070	0.000	1	117.2624	3.911	7	118.8734	7.872	13	118.8734	7.872	13
217	643	952	0:SP2_SP2_SP3	N[6a]	C[6a]	S	3:3:4:	3:3:3:	3:3:1:1:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-3:O-1:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]S)	S(C[6a]C[6a]2)(N[6a]C[6a]2)(O)2	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(SC[6a]OO){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]S){1|O<1>,2|H<1>,4|C<3>}	S(C[6a]C[6a]2)(N[6a]C[6a]2)(O)2	121.1755	0.684	2	121.1755	0.468	2	121.1755	0.468	2	121.1755	0.468	2	118.8734	7.872	13	118.8734	7.872	13
217	643	952	0:SP3_SP2_SP3	N[6a]	C[6a,6a]	S	3:3:4:	3:3:3:	3:3:1:1:	C[6a,6a]-3:C[6a]-3:S-4:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:O-1:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(SC[6a]OO)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]S)	S(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(SC[6a]OO){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]S){1|O<1>,2|H<1>,3|C<3>}	S(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)2	113.4330	0.000	1	113.4330	0.000	1	113.4330	0.000	1	113.4330	0.000	1	113.4330	0.000	1	113.6930	0.135	2
217	643	952	0:SP3_SP2_SP3	N[6a]	C[6a]	S	3:3:4:	3:3:3:	3:3:1:1:	C[6a,6a]-3:C[6a]-3:S-4:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:O-1:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(SC[6a]OO)	C[6a](N[6a]C[6a,6a]S)(C[6a]C[6a]2)(C[6a]C[6a]H)	S(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(SC[6a]OO){2|H<1>,5|C<3>}	C[6a](N[6a]C[6a,6a]S)(C[6a]C[6a]2)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	S(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)2	113.9530	0.000	1	113.9530	0.000	1	113.9530	0.000	1	113.9530	0.000	1	113.9530	0.000	1	113.6930	0.135	2
217	643	956	0:SP2_SP2_SP2	N[6a]	C[6a]	N	3:3:3:	2:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	N[6a]-2:C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(NC[6a]H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]N)	N(C[6a]C[6a]2)(N[6a]C[6a]2)(H)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(NC[6a]H){4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]N){1|O<1>,2|H<1>,4|C<3>}	N(C[6a]C[6a]2)(N[6a]C[6a]2)(H)	119.4540	0.000	1	119.4540	0.000	1	119.4540	0.000	1	118.5965	1.471	2	117.6911	3.123	32	117.6911	3.123	32
217	643	956	0:SP2_SP2_SP2	N[6a]	C[6a]	N	3:3:3:	2:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	N[6a]-2:N[6a]-3:N-3:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(NC[6a]H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]N)(NC[6a]H)	N(C[6a]C[6a]2)(N[6a]C[6a]2)(H)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(NC[6a]H){1|C<3>,1|N<2>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]N)(NC[6a]H){1|C<3>,1|N<3>,1|O<1>}	N(C[6a]C[6a]2)(N[6a]C[6a]2)(H)	117.7390	0.000	1	117.7390	0.000	1	117.7390	0.000	1	118.5965	1.471	2	117.6911	3.123	32	117.6911	3.123	32
217	643	956	0:SP2_SP2_SP2	N[6a]	C[6a]	N	3:3:3:	2:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	N[6a]-2:N[6a]-3:C-4:	N[6a]-3:H-1:H-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]C)(NHH)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]N)(CH3)	N(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]C)(NHH){2|C<3>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]N)(CH3){1|C<3>,1|O<1>,1|S<2>}	N(N[6a]C[6a]2)(H)2	118.1530	0.000	1	118.1530	0.000	1	118.1530	0.000	1	118.1530	0.000	1	117.6911	3.123	32	117.6911	3.123	32
217	643	956	0:SP2_SP2_SP2	N[6a]	C[6a]	N	3:3:3:	2:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	N[6a]-2:N[6a]-3:C-4:	N[6a]-3:C-3:H-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NCH)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CCHH)	N(N[6a]C[6a]2)(CCO)(H)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NCH){2|C<3>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CCHH){1|O<1>,2|C<3>}	N(N[6a]C[6a]2)(CCO)(H)	119.0250	0.000	1	119.0250	0.000	1	119.4097	0.738	3	119.4097	0.738	3	117.6911	3.123	32	117.6911	3.123	32
217	643	956	0:SP2_SP2_SP2	N[6a]	C[6a]	N	3:3:3:	2:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	N[6a]-2:N[6a]-3:C-4:	N[6a]-3:C-3:H-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NCH)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CCHH)	N(N[6a]C[6a]2)(CC[6a]O)(H)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NCH){2|C<3>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CCHH){1|O<1>,2|C<3>}	N(N[6a]C[6a]2)(CC[6a]O)(H)	118.8100	0.000	1	118.8100	0.000	1	119.4097	0.738	3	119.4097	0.738	3	117.6911	3.123	32	117.6911	3.123	32
217	643	956	0:SP2_SP2_SP2	N[6a]	C[6a]	N	3:3:3:	2:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	N[6a]-2:N[6a]-3:C-4:	N[6a]-3:C-3:H-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NCH)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CCHO)	N(N[6a]C[6a]2)(CC[6a]O)(H)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NCH){2|C<3>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CCHO){1|O<1>,2|C<3>}	N(N[6a]C[6a]2)(CC[6a]O)(H)	120.3940	0.000	1	120.3940	0.000	1	119.4097	0.738	3	119.4097	0.738	3	117.6911	3.123	32	117.6911	3.123	32
217	643	956	0:SP2_SP2_SP2	N[6a]	C[6a]	N	3:3:3:	2:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	N[6a]-2:N[6a]-3:C-4:	C[6a]-3:N[6a]-3:C-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NC[6a]C)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(N[6a]C[6a]2)(CCO)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NC[6a]C){2|C<3>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CH3){1|O<1>,2|C<3>}	N(C[6a]C[6a]2)(N[6a]C[6a]2)(CCO)	119.0250	0.485	3	119.0250	0.235	3	119.0250	0.235	3	119.9848	1.377	6	117.6911	3.123	32	117.6911	3.123	32
217	643	956	0:SP2_SP2_SP2	N[6a]	C[6a]	N	3:3:3:	2:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	N[6a]-2:N[6a]-3:C-4:	N[6a]-3:C-3:C-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NCC)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CCHO)	N(N[6a]C[6a]2)(CCO)2	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NCC){2|C<3>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CCHO){1|O<1>,2|C<3>}	N(N[6a]C[6a]2)(CCO)2	120.8030	0.875	2	120.8030	0.766	2	120.9447	0.443	3	119.9848	1.377	6	117.6911	3.123	32	117.6911	3.123	32
217	643	956	0:SP2_SP2_SP2	N[6a]	C[6a]	N	3:3:3:	2:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	N[6a]-2:N[6a]-3:C-4:	N[6a]-3:C-3:C-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NCC)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CC[6a]2H)	N(N[6a]C[6a]2)(CCO)2	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NCC){2|C<3>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CC[6a]2H){1|O<1>,2|C<3>}	N(N[6a]C[6a]2)(CCO)2	121.2280	0.000	1	121.2280	0.000	1	120.9447	0.443	3	119.9848	1.377	6	117.6911	3.123	32	117.6911	3.123	32
217	643	956	0:SP2_SP2_SP2	N[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-3:H-1:H-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]C)(NHH)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]N)(O)	N(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]C)(NHH){2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]N)(O){1|C<3>,1|N<2>,1|S<2>,2|C<4>}	N(N[6a]C[6a]2)(H)2	117.0900	0.000	1	117.0900	0.000	1	117.0900	0.000	1	117.5710	0.463	2	117.6911	3.123	32	117.6911	3.123	32
217	643	956	0:SP2_SP2_SP2	N[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-3:H-1:H-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(NHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N)(O)	N(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(NHH){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N)(O){1|C<4>,1|H<1>,3|C<3>}	N(N[6a]C[6a]2)(H)2	118.0520	0.000	1	118.0520	0.000	1	118.0520	0.000	1	117.5710	0.463	2	117.6911	3.123	32	117.6911	3.123	32
217	643	956	0:SP2_SP2_SP2	N[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(NC[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]N)(O)	N(C[6a]C[6a]2)(N[6a]C[6a]2)(H)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(NC[6a]H){1|C<3>,1|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]N)(O){2|N<2>,2|N<3>}	N(C[6a]C[6a]2)(N[6a]C[6a]2)(H)	117.9040	0.000	1	117.9040	0.000	1	117.9040	0.000	1	116.7103	0.583	9	117.6911	3.123	32	117.6911	3.123	32
217	643	956	0:SP2_SP2_SP2	N[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(NC[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N)(O)	N(C[6a]C[6a]2)(N[6a]C[6a]2)(H)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(NC[6a]H){4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N)(O){1|H<1>,1|N<2>,3|C<3>}	N(C[6a]C[6a]2)(N[6a]C[6a]2)(H)	117.6380	0.000	1	117.6380	0.000	1	117.6380	0.000	1	116.7103	0.583	9	117.6911	3.123	32	117.6911	3.123	32
217	643	956	0:SP2_SP2_SP2	N[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-3:C-3:H-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NCH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N)(O)	N(N[6a]C[6a]2)(CCO)(H)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NCH){2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N)(O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N(N[6a]C[6a]2)(CCO)(H)	116.8720	0.000	1	116.8720	0.000	1	116.4073	0.290	7	116.7103	0.583	9	117.6911	3.123	32	117.6911	3.123	32
217	643	956	0:SP2_SP2_SP2	N[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-3:C-3:H-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NCH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N)(O)	N(N[6a]C[6a]2)(CC[6a]O)(H)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NCH){2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N)(O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N(N[6a]C[6a]2)(CC[6a]O)(H)	116.0080	0.847	2	116.0080	0.718	2	116.4073	0.290	7	116.7103	0.583	9	117.6911	3.123	32	117.6911	3.123	32
217	643	956	0:SP2_SP2_SP2	N[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-3:C-3:H-1:	N[6a](C[6a]C[6a,6a]O)2(NCH)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]N)(O)	N(N[6a]C[6a]2)(CC[6a]O)(H)	N[6a](C[6a]C[6a,6a]O)2(NCH){3|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]N)(O){1|H<1>,1|O<1>,3|C<3>}	N(N[6a]C[6a]2)(CC[6a]O)(H)	116.4908	0.391	4	116.4908	0.153	4	116.4073	0.290	7	116.7103	0.583	9	117.6911	3.123	32	117.6911	3.123	32
217	643	956	0:SP2_SP2_SP2	N[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:C-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NC[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N)(O)	N(C[6a]C[6a]2)(N[6a]C[6a]2)(CCO)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NC[6a]C){2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N)(O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N(C[6a]C[6a]2)(N[6a]C[6a]2)(CCO)	116.7317	0.277	3	116.7317	0.077	3	116.7317	0.077	3	115.7250	1.283	6	117.6911	3.123	32	117.6911	3.123	32
217	643	956	0:SP2_SP2_SP2	N[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-3:C-3:C-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NCC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N)(O)	N(N[6a]C[6a]2)(CCO)2	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NCC){2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N)(O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N(N[6a]C[6a]2)(CCO)2	114.7183	0.301	3	114.7183	0.091	3	114.7183	0.091	3	115.7250	1.283	6	117.6911	3.123	32	117.6911	3.123	32
217	643	956	0:SP2_SP2_SP2	N[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:C-4:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(NC[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N)(O)	N(C[6a]C[6a]N[6a])(N[6a]C[6a]2)(CH3)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(NC[6a]C){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N)(O){1|H<1>,4|C<3>}	N(C[6a]C[6a]N[6a])(N[6a]C[6a]2)(CH3)	116.7520	0.000	1	116.7520	0.000	1	116.7520	0.000	1	116.7520	0.000	1	117.6911	3.123	32	117.6911	3.123	32
217	643	956	0:SP2_SP2_SP2	N[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-3:C-4:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(NC[6a]C)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(N[6a]C[6a]2)(CH3)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(NC[6a]C){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]N){1|O<1>,2|H<1>,4|C<3>}	N(C[6a]C[6a]N[6a])(N[6a]C[6a]2)(CH3)	118.3240	0.000	1	118.3240	0.000	1	118.3240	0.000	1	118.3240	0.000	1	117.6911	3.123	32	117.6911	3.123	32
217	643	956	0:SP2_SP2_SP2	N[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-3:C-4:	N[6a]-3:H-1:H-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(NHH)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]N)(CH3)	N(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(NHH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]N)(CH3){1|O<1>,2|C<3>}	N(N[6a]C[6a]2)(H)2	117.6700	0.000	1	117.6700	0.000	1	117.6700	0.000	1	117.6700	0.000	1	117.6911	3.123	32	117.6911	3.123	32
217	643	956	0:SP2_SP2_SP3	N[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C-4:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]N)	N(N[6a]C[6a,6a]C[6a])(CH3)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]N){1|O<1>,2|C<3>,3|H<1>}	N(N[6a]C[6a,6a]C[6a])(CH3)2	117.4420	0.000	1	117.4420	0.000	1	117.4420	0.000	1	117.4420	0.000	1	117.4420	0.000	1	118.2588	3.112	53
217	643	956	0:SP2_SP2_SP3	N[6a]	C[6a]	N	3:2:3:	3:3:4:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:N[6a]-3:C-4:	N[6a]-3:C-4:H-1:	N[6a](C[6a]C[5a,6a]C)(N[6a]C[6a])(NCH)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]N[6a]N)(CCCH)	N(N[6a]C[6a]N[6a])(CC[6a]HH)(H)	N[6a](C[6a]C[5a,6a]C)(N[6a]C[6a])(NCH){3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]N[6a]N)(CCCH){1|N<2>,3|C<3>}	N(N[6a]C[6a]N[6a])(CC[6a]HH)(H)	117.4280	0.000	1	117.4280	0.000	1	117.4280	0.000	1	117.4280	0.000	1	118.2745	3.159	52	118.2588	3.112	53
217	643	956	0:SP2_SP2_SP3	N[6a]	C[6a]	N	3:3:3:	2:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	N[6a]-2:N[6a]-3:N-3:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(NC[6a]H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]N)(NC[6a]H)	N(C[6a]C[6a]2)(N[6a]C[6a]2)(H)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(NC[6a]H){2|C<3>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]N)(NC[6a]H){1|C<3>,1|N<3>,1|O<1>}	N(C[6a]C[6a]2)(N[6a]C[6a]2)(H)	117.2900	0.000	1	117.2900	0.000	1	117.2900	0.000	1	117.2900	0.000	1	118.2745	3.159	52	118.2588	3.112	53
217	643	956	0:SP2_SP2_SP3	N[6a]	C[6a]	N	3:3:3:	2:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	N[6a]-2:N[6a]-3:C-4:	N[6a]-3:H-1:H-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NHH)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CCHH)	N(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NHH){2|C<3>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CCHH){1|O<1>,2|C<3>}	N(N[6a]C[6a]2)(H)2	118.1600	0.610	2	118.1600	0.372	2	117.9563	0.310	3	117.9563	0.310	3	118.2745	3.159	52	118.2588	3.112	53
217	643	956	0:SP2_SP2_SP3	N[6a]	C[6a]	N	3:3:3:	2:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	N[6a]-2:N[6a]-3:C-4:	N[6a]-3:H-1:H-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NHH)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CHHN)	N(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NHH){2|C<3>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CHHN){1|O<1>,2|C<3>}	N(N[6a]C[6a]2)(H)2	117.5490	0.000	1	117.5490	0.000	1	117.9563	0.310	3	117.9563	0.310	3	118.2745	3.159	52	118.2588	3.112	53
217	643	956	0:SP2_SP2_SP3	N[6a]	C[6a]	N	3:3:3:	2:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	N[6a]-2:N[6a]-3:C-4:	N[6a]-3:C-3:C-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NCC)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CCHO)	N(N[6a]C[6a]2)(CC[6a]O)(CCO)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NCC){2|C<3>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CCHO){1|O<1>,2|C<3>}	N(N[6a]C[6a]2)(CC[6a]O)(CCO)	121.8300	0.000	1	121.8300	0.000	1	121.3875	0.392	2	121.3875	0.392	2	118.2745	3.159	52	118.2588	3.112	53
217	643	956	0:SP2_SP2_SP3	N[6a]	C[6a]	N	3:3:3:	2:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	N[6a]-2:N[6a]-3:C-4:	N[6a]-3:C-3:C-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NCC)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CC[6a]2H)	N(N[6a]C[6a]2)(CCO)2	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NCC){2|C<3>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CC[6a]2H){1|O<1>,2|C<3>}	N(N[6a]C[6a]2)(CCO)2	120.9450	0.000	1	120.9450	0.000	1	121.3875	0.392	2	121.3875	0.392	2	118.2745	3.159	52	118.2588	3.112	53
217	643	956	0:SP2_SP2_SP3	N[6a]	C[6a]	N	3:3:3:	3:2:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	N[6a]-3:N[6a]-2:O-1:	N[6a]-3:H-1:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NHH)	C[6a](N[6a]C[6a]N)(N[6a]C[6a])(O)	N(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NHH){2|C<3>}	C[6a](N[6a]C[6a]N)(N[6a]C[6a])(O){1|H<1>,2|C<3>}	N(N[6a]C[6a]2)(H)2	119.6280	0.809	2	119.6280	0.654	2	119.6280	0.654	2	119.6280	0.654	2	118.2745	3.159	52	118.2588	3.112	53
217	643	956	0:SP2_SP2_SP3	N[6a]	C[6a]	N	3:3:3:	3:2:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	N[6a]-3:N[6a]-2:O-1:	N[6a]-3:C-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NCH)	C[6a](N[6a]C[6a]N)(N[6a]C[6a])(O)	N(N[6a]C[6a]2)(CC[6a]O)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NCH){2|C<3>}	C[6a](N[6a]C[6a]N)(N[6a]C[6a])(O){1|H<1>,2|C<3>}	N(N[6a]C[6a]2)(CC[6a]O)(H)	118.8830	0.000	1	118.8830	0.000	1	118.8830	0.000	1	118.8830	0.000	1	118.2745	3.159	52	118.2588	3.112	53
217	643	956	0:SP2_SP2_SP3	N[6a]	C[6a]	N	3:3:3:	3:2:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	N[6a]-3:N[6a]-2:S-2:	N[6a]-3:H-1:H-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(NHH)	C[6a](N[6a]C[6a]N)(N[6a]N[6a])(SC)	N(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(NHH){1|C<4>,1|N<2>}	C[6a](N[6a]C[6a]N)(N[6a]N[6a])(SC){1|C<3>,1|O<1>}	N(N[6a]C[6a]2)(H)2	117.3420	0.787	4	117.3420	0.619	4	117.3420	0.619	4	117.3420	0.619	4	118.2745	3.159	52	118.2588	3.112	53
217	643	956	0:SP2_SP2_SP3	N[6a]	C[6a]	N	3:3:3:	3:2:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	N[6a]-3:N[6a]-2:N-3:	N[6a]-3:S-4:H-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(NHS)	C[6a](N[6a]C[6a]N)(N[6a]C[6a])(NHH)	N(N[6a]C[6a]2)(SC[6a]OO)(H)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(NHS){1|C<2>,1|C<3>}	C[6a](N[6a]C[6a]N)(N[6a]C[6a])(NHH){1|C<3>,1|O<1>,1|S<2>}	N(N[6a]C[6a]2)(SC[6a]OO)(H)	116.8840	0.000	1	116.8840	0.000	1	116.8840	0.000	1	116.8840	0.000	1	118.2745	3.159	52	118.2588	3.112	53
217	643	956	0:SP2_SP2_SP3	N[6a]	C[6a]	N	3:3:3:	3:2:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	N[6a]-3:N[6a]-2:C-4:	N[6a]-3:H-1:H-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(NHH)	C[6a](N[6a]C[6a]N)(N[6a]N[6a])(CH3)	N(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(NHH){1|C<3>,1|N<2>}	C[6a](N[6a]C[6a]N)(N[6a]N[6a])(CH3){1|C<3>,1|O<1>}	N(N[6a]C[6a]2)(H)2	118.5950	0.000	1	118.5950	0.000	1	118.5950	0.000	1	118.5950	0.000	1	118.2745	3.159	52	118.2588	3.112	53
217	643	956	0:SP2_SP2_SP3	N[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-3:H-1:H-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(NHH)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]N)(O)	N(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(NHH){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]N)(O){1|N<3>,1|S<2>,3|C<3>}	N(N[6a]C[6a]2)(H)2	117.9650	0.000	1	117.9650	0.000	1	117.9650	0.000	1	118.4195	3.729	15	118.2745	3.159	52	118.2588	3.112	53
217	643	956	0:SP2_SP2_SP3	N[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-3:H-1:H-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(NHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N)(O)	N(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(NHH){1|Cl<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N)(O){1|C<4>,1|O<2>,3|C<3>}	N(N[6a]C[6a]2)(H)2	117.4850	0.000	1	117.4850	0.000	1	118.3953	0.608	4	118.4195	3.729	15	118.2745	3.159	52	118.2588	3.112	53
217	643	956	0:SP2_SP2_SP3	N[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-3:H-1:H-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N)(O)	N(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NHH){2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N)(O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N(N[6a]C[6a]2)(H)2	118.6987	0.600	3	118.6987	0.360	3	118.3953	0.608	4	118.4195	3.729	15	118.2745	3.159	52	118.2588	3.112	53
217	643	956	0:SP2_SP2_SP3	N[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-3:H-1:	N[6a]-3:H-1:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]N)(H)	N(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NHH){2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]N)(H){1|C<3>,1|N<2>,1|O<1>}	N(N[6a]C[6a]2)(H)2	118.1755	0.619	2	118.1755	0.383	2	118.1755	0.383	2	118.4195	3.729	15	118.2745	3.159	52	118.2588	3.112	53
217	643	956	0:SP2_SP2_SP3	N[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:H-1:H-1:	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NHH)	C[6a](C[6a]C[6a,6a]C)(N[6a]C[6a]N)(O)	N(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NHH){5|C<3>}	C[6a](C[6a]C[6a,6a]C)(N[6a]C[6a]N)(O){3|C<3>}	N(N[6a]C[6a]2)(H)2	115.1330	0.000	1	115.1330	0.000	1	118.5495	7.077	8	118.4195	3.729	15	118.2745	3.159	52	118.2588	3.112	53
217	643	956	0:SP2_SP2_SP3	N[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:H-1:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]N)(O)	N(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NHH){1|C<2>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]N)(O){1|C<3>,1|C<4>,1|H<1>}	N(N[6a]C[6a]2)(H)2	115.2130	0.000	1	115.2130	0.000	1	118.5495	7.077	8	118.4195	3.729	15	118.2745	3.159	52	118.2588	3.112	53
217	643	956	0:SP2_SP2_SP3	N[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:H-1:H-1:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(NHH)	C[6a](C[6a]N[6a]C)(N[6a]C[6a]N)(O)	N(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(NHH){1|C<4>,1|N<2>,2|C<3>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a]N)(O){1|C<3>,1|N<2>}	N(N[6a]C[6a]2)(H)2	116.5660	0.000	1	116.5660	0.000	1	118.5495	7.077	8	118.4195	3.729	15	118.2745	3.159	52	118.2588	3.112	53
217	643	956	0:SP2_SP2_SP3	N[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:H-1:H-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(NHH)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]N)(O)	N(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(NHH){1|C<3>,1|N<2>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]N)(O){1|C<4>,1|N<2>,2|C<3>}	N(N[6a]C[6a]2)(H)2	118.7190	0.000	1	118.7190	0.000	1	118.5495	7.077	8	118.4195	3.729	15	118.2745	3.159	52	118.2588	3.112	53
217	643	956	0:SP2_SP2_SP3	N[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:H-1:H-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(NHH)	C[6a](C[6a]N[6a]C)(N[6a]C[6a]N)(O)	N(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(NHH){1|C<4>,1|N<2>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a]N)(O){1|N<2>,1|S<2>}	N(N[6a]C[6a]2)(H)2	120.6912	1.214	4	120.6912	1.475	4	118.5495	7.077	8	118.4195	3.729	15	118.2745	3.159	52	118.2588	3.112	53
217	643	956	0:SP2_SP2_SP3	N[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(NC[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]N)(O)	N(C[6a]C[6a]2)(N[6a]C[6a]2)(H)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(NC[6a]H){2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]N)(O){1|S<2>,2|N<2>,2|N<3>}	N(C[6a]C[6a]2)(N[6a]C[6a]2)(H)	118.7100	0.000	1	118.7100	0.000	1	118.7100	0.000	1	118.3460	0.265	2	118.2745	3.159	52	118.2588	3.112	53
217	643	956	0:SP2_SP2_SP3	N[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-3:H-1:	N[6a]-3:C-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NCH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]N)(H)	N(N[6a]C[6a]2)(CC[6a]O)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NCH){2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]N)(H){1|C<3>,1|N<2>,1|O<1>}	N(N[6a]C[6a]2)(CC[6a]O)(H)	117.9820	0.000	1	117.9820	0.000	1	117.9820	0.000	1	118.3460	0.265	2	118.2745	3.159	52	118.2588	3.112	53
217	643	956	0:SP2_SP2_SP3	N[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-3:C-3:C-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NCC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N)(O)	N(N[6a]C[6a]2)(CCO)2	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NCC){2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N)(O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N(N[6a]C[6a]2)(CCO)2	114.6160	0.000	1	114.6160	0.000	1	114.3895	0.103	2	114.3895	0.103	2	118.2745	3.159	52	118.2588	3.112	53
217	643	956	0:SP2_SP2_SP3	N[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-3:C-3:C-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NCC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N)(O)	N(N[6a]C[6a]2)(CC[6a]O)(CCO)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NCC){2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N)(O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N(N[6a]C[6a]2)(CC[6a]O)(CCO)	114.1630	0.000	1	114.1630	0.000	1	114.3895	0.103	2	114.3895	0.103	2	118.2745	3.159	52	118.2588	3.112	53
217	643	956	0:SP2_SP2_SP3	N[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:C-4:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(NC[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N)(O)	N(C[6a]C[6a]N[6a])(N[6a]C[6a]2)(CH3)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(NC[6a]C){5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N)(O){1|H<1>,4|C<3>}	N(C[6a]C[6a]N[6a])(N[6a]C[6a]2)(CH3)	117.9990	0.000	1	117.9990	0.000	1	117.5200	0.325	3	117.5200	0.325	3	118.2745	3.159	52	118.2588	3.112	53
217	643	956	0:SP2_SP2_SP3	N[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:C-4:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(NC[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N)(O)	N(C[6a]C[6a]N[6a])(N[6a]C[6a]2)(CH3)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(NC[6a]C){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N)(O){1|C<4>,1|H<1>,3|C<3>}	N(C[6a]C[6a]N[6a])(N[6a]C[6a]2)(CH3)	116.8900	0.000	1	117.2805	0.305	2	117.5200	0.325	3	117.5200	0.325	3	118.2745	3.159	52	118.2588	3.112	53
217	643	956	0:SP2_SP2_SP3	N[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:C-4:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(NC[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N)(O)	N(C[6a]C[6a]N[6a])(N[6a]C[6a]2)(CH3)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(NC[6a]C){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N)(O){1|H<1>,4|C<3>}	N(C[6a]C[6a]N[6a])(N[6a]C[6a]2)(CH3)	117.6710	0.000	1	117.2805	0.305	2	117.5200	0.325	3	117.5200	0.325	3	118.2745	3.159	52	118.2588	3.112	53
217	643	956	0:SP2_SP2_SP3	N[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:S-4:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NHS)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]N)(O)	N(N[6a]C[6a]2)(SC[6a]OO)(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NHS){1|C<2>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]N)(O){1|C<3>,1|C<4>,1|H<1>}	N(N[6a]C[6a]2)(SC[6a]OO)(H)	116.8240	0.000	1	116.8240	0.000	1	118.2400	2.655	3	118.2400	2.655	3	118.2745	3.159	52	118.2588	3.112	53
217	643	956	0:SP2_SP2_SP3	N[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:S-4:H-1:	N[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(NHS)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]N)(O)	N(N[6a]C[6a]2)(SC[6a]OO)(H)	N[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(NHS){1|C<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]N)(O){1|C<3>,1|N<3>,1|S<2>}	N(N[6a]C[6a]2)(SC[6a]OO)(H)	117.8750	0.000	1	117.8750	0.000	1	118.2400	2.655	3	118.2400	2.655	3	118.2745	3.159	52	118.2588	3.112	53
217	643	956	0:SP2_SP2_SP3	N[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:S-4:H-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(NHS)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]N)(O)	N(N[6a]C[6a]2)(SC[6a]OO)(H)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(NHS){1|C<2>,1|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]N)(O){1|N<2>,1|N<3>,1|S<2>}	N(N[6a]C[6a]2)(SC[6a]OO)(H)	120.0210	0.000	1	120.0210	0.000	1	118.2400	2.655	3	118.2400	2.655	3	118.2745	3.159	52	118.2588	3.112	53
217	643	956	0:SP2_SP2_SP3	N[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	N[6a]-3:C[6a]-3:H-1:	N[6a]-3:C-4:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a](N[6a]C[6a,6a]N)(C[6a]C[6a]C)(H)	N(N[6a]C[6a,6a]C[6a])(CH3)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a]N)(C[6a]C[6a]C)(H){1|O<1>,2|C<3>}	N(N[6a]C[6a,6a]C[6a])(CH3)2	121.5520	0.000	1	121.5520	0.000	1	121.5520	0.000	1	121.5520	0.000	1	118.2745	3.159	52	118.2588	3.112	53
217	643	956	0:SP2_SP2_SP3	N[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-3:N[6a]-2:	N[6a]-3:H-1:H-1:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(NHH)	C[6a](C[6a]C[6a]2)(N[6a]C[6a]N)(N[6a]N[6a])	N(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(NHH){1|C<4>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a]N)(N[6a]N[6a]){1|O<1>,2|H<1>,3|C<3>}	N(N[6a]C[6a]2)(H)2	122.0860	0.000	1	122.0860	0.000	1	122.0860	0.000	1	122.0860	0.000	1	118.2745	3.159	52	118.2588	3.112	53
217	643	956	0:SP2_SP2_SP3	N[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:H-1:H-1:	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]N)	N(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NHH){5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]N){1|O<1>,3|H<1>,5|C<3>}	N(N[6a]C[6a]2)(H)2	119.5520	0.000	1	119.5520	0.000	1	119.5520	0.000	1	118.7400	1.319	2	118.2745	3.159	52	118.2588	3.112	53
217	643	956	0:SP2_SP2_SP3	N[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:H-1:H-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(NHH)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]N)	N(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(NHH){1|H<1>,4|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]N){1|H<1>,1|O<1>,1|O<2>,1|S<2>,3|C<3>}	N(N[6a]C[6a]2)(H)2	117.9280	0.000	1	117.9280	0.000	1	117.9280	0.000	1	118.7400	1.319	2	118.2745	3.159	52	118.2588	3.112	53
217	643	956	0:SP2_SP2_SP3	N[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-3:C-4:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(NC[6a]C)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(N[6a]C[6a]2)(CH3)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(NC[6a]C){5|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]N){1|O<1>,2|H<1>,6|C<3>}	N(C[6a]C[6a]N[6a])(N[6a]C[6a]2)(CH3)	117.7420	0.000	1	117.7420	0.000	1	117.7420	0.000	1	117.8450	0.021	2	118.2745	3.159	52	118.2588	3.112	53
217	643	956	0:SP2_SP2_SP3	N[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-3:C-3:	C[6a]-3:N[6a]-3:C-4:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(NC[6a]C)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]N)(CC[6a]O)	N(C[6a]C[6a]N[6a])(N[6a]C[6a]2)(CH3)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(NC[6a]C){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]N)(CC[6a]O){1|O<1>,2|C<3>}	N(C[6a]C[6a]N[6a])(N[6a]C[6a]2)(CH3)	117.9480	0.000	1	117.9480	0.000	1	117.9480	0.000	1	117.8450	0.021	2	118.2745	3.159	52	118.2588	3.112	53
217	643	956	0:SP2_SP2_SP3	N[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-3:N-3:	N[6a]-3:S-4:H-1:	N[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(NHS)	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a]N)(NHH)	N(N[6a]C[6a]2)(SC[6a]OO)(H)	N[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(NHS){1|C<2>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a]N)(NHH){1|C<3>,1|N<2>,1|O<1>,2|S<2>}	N(N[6a]C[6a]2)(SC[6a]OO)(H)	115.9380	0.000	1	115.9380	0.000	1	115.9380	0.000	1	115.9380	0.000	1	118.2745	3.159	52	118.2588	3.112	53
217	643	956	0:SP2_SP2_SP3	N[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-3:C-4:	N[6a]-3:H-1:H-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(NHH)	C[6a](C[6a]C[6a,6a]Cl)(N[6a]C[6a]N)(CH3)	N(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(NHH){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]Cl)(N[6a]C[6a]N)(CH3){1|O<1>,2|C<3>}	N(N[6a]C[6a]2)(H)2	117.8130	0.000	1	117.8130	0.000	1	118.8360	2.093	2	118.8360	2.093	2	118.2745	3.159	52	118.2588	3.112	53
217	643	956	0:SP2_SP2_SP3	N[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-3:C-4:	N[6a]-3:H-1:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]N)(CCHH)	N(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NHH){1|C<2>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]N)(CCHH){1|C<3>,1|H<1>,1|O<1>}	N(N[6a]C[6a]2)(H)2	119.8590	0.000	1	119.8590	0.000	1	118.8360	2.093	2	118.8360	2.093	2	118.2745	3.159	52	118.2588	3.112	53
217	643	956	0:SP2_SP2_SP3	N[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:N[6a]-3:C-4:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(NC[6a]C)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]N)(CHHP)	N(C[6a]C[6a]N[6a])(N[6a]C[6a]2)(CH3)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(NC[6a]C){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]N)(CHHP){1|O<1>,2|C<3>}	N(C[6a]C[6a]N[6a])(N[6a]C[6a]2)(CH3)	118.6370	0.000	1	118.6370	0.000	1	118.6370	0.000	1	118.6370	0.000	1	118.2745	3.159	52	118.2588	3.112	53
217	643	956	0:SP2_SP2_SP3	N[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-3:C-4:	N[6a]-3:S-4:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NHS)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]N)(CCHH)	N(N[6a]C[6a]2)(SC[6a]OO)(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NHS){1|C<2>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]N)(CCHH){1|C<3>,1|H<1>,1|O<1>}	N(N[6a]C[6a]2)(SC[6a]OO)(H)	117.8290	0.000	1	117.8290	0.000	1	117.8290	0.000	1	117.8290	0.000	1	118.2745	3.159	52	118.2588	3.112	53
217	727	727	0:SP2_SP2_SP2	N[6a,6a]	C[5a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:B[6a,6a]-3:	N[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	N[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	N[6a,6a](C[5a,6a]C[5a,6a]C[5a])2(B[6a,6a]C[5a,6a]2)	C[5a,6a](N[6a,6a]B[6a,6a]C[5a,6a])(C[5a,6a]C[5a,6a]S[5a])(C[5a]C[5a]H)	C[5a,6a](N[6a,6a]B[6a,6a]C[5a,6a])(C[5a,6a]C[5a,6a]S[5a])(C[5a]C[5a]H)	N[6a,6a](C[5a,6a]C[5a,6a]C[5a])2(B[6a,6a]C[5a,6a]2){2|H<1>,2|S<2>,6|C<3>}	C[5a,6a](N[6a,6a]B[6a,6a]C[5a,6a])(C[5a,6a]C[5a,6a]S[5a])(C[5a]C[5a]H){1|C<4>,1|S<2>,4|C<3>}	C[5a,6a](N[6a,6a]B[6a,6a]C[5a,6a])(C[5a,6a]C[5a,6a]S[5a])(C[5a]C[5a]H){1|C<4>,1|S<2>,4|C<3>}	120.8343	0.327	3	120.8343	0.107	3	120.8343	0.107	3	120.8343	0.107	3	120.8343	0.107	3	120.8343	0.107	3
217	727	727	6:SP2_SP2_SP2	N[6a]	C[5,6a]	C[5,6a]	3:3:4:	3:3:2:	3:3:2:	C[5,6a]-3:C[5,6a]-3:C-4:	C[5,6a]-3:N[6a]-3:N[5]-2:	C[5,6a]-3:N[6a]-3:N[5]-2:	N[6a](C[5,6a]C[5,6a]N[5])2(CCHH)	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[5,6a]C)(N[5]S[5])	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[5,6a]C)(N[5]S[5])	N[6a](C[5,6a]C[5,6a]N[5])2(CCHH){1|C<3>,4|S<2>}	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[5,6a]C)(N[5]S[5]){1|C<3>,1|F<1>,1|N<2>}	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[5,6a]C)(N[5]S[5]){1|C<3>,1|F<1>,1|N<2>}	121.0738	0.304	5	121.3738	0.295	8	121.4259	0.195	14	121.4259	0.195	14	121.4259	0.195	14	121.4259	0.195	14
217	727	727	6:SP2_SP2_SP2	N[6a]	C[5,6a]	C[5,6a]	3:3:4:	3:3:2:	3:3:2:	C[5,6a]-3:C[5,6a]-3:C-4:	C[5,6a]-3:N[6a]-3:N[5]-2:	C[5,6a]-3:N[6a]-3:N[5]-2:	N[6a](C[5,6a]C[5,6a]N[5])2(CCHH)	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[5,6a]C)(N[5]S[5])	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[5,6a]C)(N[5]S[5])	N[6a](C[5,6a]C[5,6a]N[5])2(CCHH){1|C<3>,4|S<2>}	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[5,6a]C)(N[5]S[5]){1|C<3>,1|H<1>,1|N<2>}	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[5,6a]C)(N[5]S[5]){1|C<3>,1|H<1>,1|N<2>}	121.9800	0.000	1	121.3738	0.295	8	121.4259	0.195	14	121.4259	0.195	14	121.4259	0.195	14	121.4259	0.195	14
217	727	727	6:SP2_SP2_SP2	N[6a]	C[5,6a]	C[5,6a]	3:3:4:	3:3:2:	3:3:2:	C[5,6a]-3:C[5,6a]-3:C-4:	C[5,6a]-3:N[6a]-3:N[5]-2:	C[5,6a]-3:N[6a]-3:N[5]-2:	N[6a](C[5,6a]C[5,6a]N[5])2(CCHH)	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[5,6a]C)(N[5]S[5])	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[5,6a]C)(N[5]S[5])	N[6a](C[5,6a]C[5,6a]N[5])2(CCHH){1|C<3>,4|S<2>}	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[5,6a]C)(N[5]S[5]){1|Cl<1>,1|C<3>,1|N<2>}	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[5,6a]C)(N[5]S[5]){1|Cl<1>,1|C<3>,1|N<2>}	121.8205	0.691	2	121.3738	0.295	8	121.4259	0.195	14	121.4259	0.195	14	121.4259	0.195	14	121.4259	0.195	14
217	727	727	6:SP2_SP2_SP2	N[6a]	C[5,6a]	C[5,6a]	3:3:4:	3:3:2:	3:3:2:	C[5,6a]-3:C[5,6a]-3:C-4:	C[5,6a]-3:N[6a]-3:N[5]-2:	C[5,6a]-3:N[6a]-3:N[5]-2:	N[6a](C[5,6a]C[5,6a]N[5])2(CH3)	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[5,6a]C)(N[5]S[5])	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[5,6a]C)(N[5]S[5])	N[6a](C[5,6a]C[5,6a]N[5])2(CH3){1|C<3>,4|S<2>}	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[5,6a]C)(N[5]S[5]){1|C<3>,1|F<1>,1|N<2>}	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[5,6a]C)(N[5]S[5]){1|C<3>,1|F<1>,1|N<2>}	121.6163	0.373	3	121.4955	0.083	6	121.4259	0.195	14	121.4259	0.195	14	121.4259	0.195	14	121.4259	0.195	14
217	727	727	6:SP2_SP2_SP2	N[6a]	C[5,6a]	C[5,6a]	3:3:4:	3:3:2:	3:3:2:	C[5,6a]-3:C[5,6a]-3:C-4:	C[5,6a]-3:N[6a]-3:N[5]-2:	C[5,6a]-3:N[6a]-3:N[5]-2:	N[6a](C[5,6a]C[5,6a]N[5])2(CH3)	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[5,6a]C)(N[5]S[5])	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[5,6a]C)(N[5]S[5])	N[6a](C[5,6a]C[5,6a]N[5])2(CH3){1|C<3>,4|S<2>}	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[5,6a]C)(N[5]S[5]){1|C<3>,1|H<1>,1|N<2>}	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[5,6a]C)(N[5]S[5]){1|C<3>,1|H<1>,1|N<2>}	121.3790	0.000	1	121.4955	0.083	6	121.4259	0.195	14	121.4259	0.195	14	121.4259	0.195	14	121.4259	0.195	14
217	727	727	6:SP2_SP2_SP2	N[6a]	C[5,6a]	C[5,6a]	3:3:4:	3:3:2:	3:3:2:	C[5,6a]-3:C[5,6a]-3:C-4:	C[5,6a]-3:N[6a]-3:N[5]-2:	C[5,6a]-3:N[6a]-3:N[5]-2:	N[6a](C[5,6a]C[5,6a]N[5])2(CH3)	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[5,6a]C)(N[5]S[5])	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[5,6a]C)(N[5]S[5])	N[6a](C[5,6a]C[5,6a]N[5])2(CH3){1|C<3>,4|S<2>}	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[5,6a]C)(N[5]S[5]){1|Cl<1>,1|C<3>,1|N<2>}	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[5,6a]C)(N[5]S[5]){1|Cl<1>,1|C<3>,1|N<2>}	121.3725	0.223	2	121.4955	0.083	6	121.4259	0.195	14	121.4259	0.195	14	121.4259	0.195	14	121.4259	0.195	14
217	727	927	6:SP2_SP2_SP2	N[6,6a]	C[5a,6,6a]	B[6a]	3:3:4:	3:3:3:	3:3:3:	C[5a,6,6a]-3:B[6a]-3:C[6]-4:	C[5a,6,6a]-3:C[5a,6a]-3:N[6,6a]-3:	C[5a,6a]-3:N[6,6a]-3:C[6a]-3:	N[6,6a](C[5a,6,6a]C[5a,6,6a]C[5a,6a])(B[6a]C[5a,6a]C[6a])(C[6]C[6]HH)	C[5a,6,6a](C[5a,6,6a]C[5a,6a]N[6,6a])(C[5a,6a]C[5a,6a]S[5a])(N[6,6a]B[6a]C[6])	B[6a](C[5a,6a]C[5a,6a]C[5a])(N[6,6a]C[5a,6,6a]C[6])(C[6a]C[6a]2)	N[6,6a](C[5a,6,6a]C[5a,6,6a]C[5a,6a])(B[6a]C[5a,6a]C[6a])(C[6]C[6]HH){1|N<3>,1|S<2>,2|H<1>,5|C<3>}	C[5a,6,6a](C[5a,6,6a]C[5a,6a]N[6,6a])(C[5a,6a]C[5a,6a]S[5a])(N[6,6a]B[6a]C[6]){1|B<3>,1|C<4>,1|S<2>,2|H<1>,3|C<3>}	B[6a](C[5a,6a]C[5a,6a]C[5a])(N[6,6a]C[5a,6,6a]C[6])(C[6a]C[6a]2){1|C<4>,1|S<2>,5|C<3>,5|H<1>}	120.9830	0.434	2	120.9830	0.188	2	120.9830	0.188	2	120.9830	0.188	2	120.9830	0.188	2	119.9589	0.421	9
217	727	927	6:SP2_SP2_SP2	N[6a,6a]	C[5a,6a]	B[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:B[6a,6a]-3:	N[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[6a,6a]-3:	N[6a,6a](C[5a,6a]C[5a,6a]C[5a])2(B[6a,6a]C[5a,6a]2)	C[5a,6a](N[6a,6a]B[6a,6a]C[5a,6a])(C[5a,6a]C[5a,6a]S[5a])(C[5a]C[5a]H)	B[6a,6a](C[5a,6a]C[5a,6a]C[5a])2(N[6a,6a]C[5a,6a]2)	N[6a,6a](C[5a,6a]C[5a,6a]C[5a])2(B[6a,6a]C[5a,6a]2){2|H<1>,2|S<2>,6|C<3>}	C[5a,6a](N[6a,6a]B[6a,6a]C[5a,6a])(C[5a,6a]C[5a,6a]S[5a])(C[5a]C[5a]H){1|C<4>,1|S<2>,4|C<3>}	B[6a,6a](C[5a,6a]C[5a,6a]C[5a])2(N[6a,6a]C[5a,6a]2){2|H<1>,2|S<2>,6|C<3>}	119.5807	0.187	6	119.5807	0.035	6	119.5807	0.035	6	119.5807	0.035	6	119.5807	0.035	6	119.9589	0.421	9
217	727	927	6:SP2_SP2_SP2	N[6a]	C[5,6a]	B[6a]	3:3:4:	3:3:4:	3:3:3:	C[5,6a]-3:B[6a]-3:C-4:	C[5,6a]-3:N[6a]-3:C[5]-4:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](C[5,6a]C[5,6a]C[5])(B[6a]C[6a]2)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]B[6a]C)(C[5]C[5]HH)	B[6a](N[6a]C[5,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[5,6a]C[5,6a]C[5])(B[6a]C[6a]2)(CH3){1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]B[6a]C)(C[5]C[5]HH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	B[6a](N[6a]C[5,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,3|C<3>,3|C<4>}	120.1800	0.000	1	120.1800	0.000	1	120.1800	0.000	1	120.1800	0.000	1	120.1800	0.000	1	119.9589	0.421	9
217	727	930	0:SP2_SP2_SP2	N[6a]	C[5a,6a]	C	3:3:3:	3:3:2:	3:1:1:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:N[6a]-3:O[5a]-2:	N[6a]-3:H-1:H-1:	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]N[6a]O)(CHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a]C)(O[5a]C[5a])	C(N[6a]C[5a,6a]C[6a])(H)2	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]N[6a]O)(CHH){4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a]C)(O[5a]C[5a]){1|N<3>,2|C<3>,2|O<1>}	C(N[6a]C[5a,6a]C[6a])(H)2	121.2860	0.000	1	121.2860	0.000	1	121.2860	0.000	1	121.2860	0.000	1	121.2860	0.000	1	121.2860	0.000	1
217	727	951	0:SP2_SP-NON_SP2	N[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[6a]-3:N[5]-3:	N[6a]-3:	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]H)(N[5]C[5]H)	H(N[6a]C[5,6a]C[6a])	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,2|N<3>}	H(N[6a]C[5,6a]C[6a])	123.9755	5.626	2	123.9755	31.657	2	124.0430	11.185	6	124.0430	11.185	6	123.1071	11.148	8	120.0921	6.498	47
217	727	951	0:SP2_SP-NON_SP2	N[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[6a]-3:N[5]-3:	N[6a]-3:	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]H)(N[5]C[5]H)	H(N[6a]C[5,6a]C[6a])	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,2|N<2>}	H(N[6a]C[5,6a]C[6a])	122.1880	0.000	1	124.0768	8.085	4	124.0430	11.185	6	124.0430	11.185	6	123.1071	11.148	8	120.0921	6.498	47
217	727	951	0:SP2_SP-NON_SP2	N[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[6a]-3:N[5]-3:	N[6a]-3:	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]H)(N[5]C[5]H)	H(N[6a]C[5,6a]C[6a])	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]H)(N[5]C[5]H){1|N<3>,2|H<1>,2|O<1>}	H(N[6a]C[5,6a]C[6a])	124.7063	3.122	3	124.0768	8.085	4	124.0430	11.185	6	124.0430	11.185	6	123.1071	11.148	8	120.0921	6.498	47
217	727	951	0:SP2_SP-NON_SP2	N[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,6])(H)	C[5,6a](C[5,6]N[5,6]C[6]C)(C[5,6a]C[6a]C[5])(N[6a]C[6a,6a]H)	H(N[6a]C[6a,6a]C[5,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,6])(H){1|H<1>,1|N<3>,3|C<3>,3|C<4>}	C[5,6a](C[5,6]N[5,6]C[6]C)(C[5,6a]C[6a]C[5])(N[6a]C[6a,6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	H(N[6a]C[6a,6a]C[5,6a])	120.2995	1.043	2	120.2995	1.088	2	120.2995	1.088	2	120.2995	1.088	2	123.1071	11.148	8	120.0921	6.498	47
217	727	951	0:SP2_SP-NON_SP2	N[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	N[6a]-3:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a])	H(N[6a]C[5a,6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|O<1>,3|H<1>}	H(N[6a]C[5a,6a]C[6a])	121.1635	0.093	2	121.1635	0.009	2	122.1312	1.252	4	119.8118	6.142	17	119.4736	3.506	39	120.0921	6.498	47
217	727	951	0:SP2_SP-NON_SP2	N[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	N[6a]-3:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a]H)(N[5a]C[5a])	H(N[6a]C[5a,6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(H){3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a]H)(N[5a]C[5a]){1|Cl<1>,1|N<2>,3|H<1>}	H(N[6a]C[5a,6a]C[6a])	123.0690	0.000	1	123.0690	0.000	1	122.1312	1.252	4	119.8118	6.142	17	119.4736	3.506	39	120.0921	6.498	47
217	727	951	0:SP2_SP-NON_SP2	N[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	N[6a]-3:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a])	H(N[6a]C[5a,6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(H){1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a]){1|N<2>,1|N<3>,2|H<1>}	H(N[6a]C[5a,6a]C[6a])	123.1290	0.000	1	123.1290	0.000	1	122.1312	1.252	4	119.8118	6.142	17	119.4736	3.506	39	120.0921	6.498	47
217	727	951	0:SP2_SP-NON_SP2	N[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:N[6a]-3:N[5a]-2:	N[6a]-3:	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]O)(H)	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a])	H(N[6a]C[5a,6a]C[6a])	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]O)(H){1|N<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a]){1|O<1>,1|O<2>,2|C<3>}	H(N[6a]C[5a,6a]C[6a])	120.7070	0.000	1	117.6357	8.736	3	119.0981	5.532	13	119.8118	6.142	17	119.4736	3.506	39	120.0921	6.498	47
217	727	951	0:SP2_SP-NON_SP2	N[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:N[6a]-3:N[5a]-2:	N[6a]-3:	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]O)(H)	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a])	H(N[6a]C[5a,6a]C[6a])	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]O)(H){1|N<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a]){1|O<1>,1|S<2>,2|C<3>}	H(N[6a]C[5a,6a]C[6a])	114.8110	0.000	1	117.6357	8.736	3	119.0981	5.532	13	119.8118	6.142	17	119.4736	3.506	39	120.0921	6.498	47
217	727	951	0:SP2_SP-NON_SP2	N[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:N[6a]-3:N[5a]-2:	N[6a]-3:	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]O)(H)	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a])	H(N[6a]C[5a,6a]C[6a])	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]O)(H){1|N<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a]){1|O<1>,1|S<4>,2|C<3>}	H(N[6a]C[5a,6a]C[6a])	117.3890	0.000	1	117.6357	8.736	3	119.0981	5.532	13	119.8118	6.142	17	119.4736	3.506	39	120.0921	6.498	47
217	727	951	0:SP2_SP-NON_SP2	N[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:N[6a]-3:N[5a]-2:	N[6a]-3:	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a])	H(N[6a]C[5a,6a]C[6a])	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(N[6a]C[5a,6a]C[6a])	120.0950	0.000	1	119.9400	3.028	6	119.0981	5.532	13	119.8118	6.142	17	119.4736	3.506	39	120.0921	6.498	47
217	727	951	0:SP2_SP-NON_SP2	N[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:N[6a]-3:N[5a]-2:	N[6a]-3:	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a])	H(N[6a]C[5a,6a]C[6a])	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	H(N[6a]C[5a,6a]C[6a])	121.3855	1.071	2	119.9400	3.028	6	119.0981	5.532	13	119.8118	6.142	17	119.4736	3.506	39	120.0921	6.498	47
217	727	951	0:SP2_SP-NON_SP2	N[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:N[6a]-3:N[5a]-2:	N[6a]-3:	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a])	H(N[6a]C[5a,6a]C[6a])	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|O<1>,2|C<4>}	H(N[6a]C[5a,6a]C[6a])	118.9247	1.830	3	119.9400	3.028	6	119.0981	5.532	13	119.8118	6.142	17	119.4736	3.506	39	120.0921	6.498	47
217	727	951	0:SP2_SP-NON_SP2	N[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:N[6a]-3:N[5a]-2:	N[6a]-3:	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(N[6a]C[6a]H)(N[5a]N[5a])	H(N[6a]C[5a,6a]C[6a])	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(N[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|O<1>,2|C<4>}	H(N[6a]C[5a,6a]C[6a])	116.6740	0.000	1	116.6740	0.000	1	119.0981	5.532	13	119.8118	6.142	17	119.4736	3.506	39	120.0921	6.498	47
217	727	951	0:SP2_SP-NON_SP2	N[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:N[6a]-3:N[5a]-2:	N[6a]-3:	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a])	H(N[6a]C[5a,6a]C[6a])	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|O<1>,2|C<4>}	H(N[6a]C[5a,6a]C[6a])	120.9470	0.000	1	120.9470	0.000	1	119.0981	5.532	13	119.8118	6.142	17	119.4736	3.506	39	120.0921	6.498	47
217	727	951	0:SP2_SP-NON_SP2	N[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:N[6a]-3:N[5a]-2:	N[6a]-3:	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[6a]H)(N[5a]N[5a])	H(N[6a]C[5a,6a]C[6a])	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,2|N<2>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|C<4>,1|O<1>}	H(N[6a]C[5a,6a]C[6a])	121.6800	0.000	1	121.6800	0.000	1	119.0981	5.532	13	119.8118	6.142	17	119.4736	3.506	39	120.0921	6.498	47
217	727	951	0:SP2_SP-NON_SP2	N[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:N[6a]-3:N[5a]-2:	N[6a]-3:	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]O)(H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a])	H(N[6a]C[5a,6a]C[6a])	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]O)(H){1|N<2>,2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	H(N[6a]C[5a,6a]C[6a])	116.4270	0.000	1	116.4270	0.000	1	119.0981	5.532	13	119.8118	6.142	17	119.4736	3.506	39	120.0921	6.498	47
217	727	951	0:SP2_SP-NON_SP2	N[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:N[6a]-3:N[5a]-3:	N[6a]-3:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a,6a]H)(N[5a]C[5a]H)	H(N[6a]C[5a,6a]C[6a,6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(H){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a,6a]H)(N[5a]C[5a]H){1|O<1>,4|C<3>}	H(N[6a]C[5a,6a]C[6a,6a])	120.7420	0.000	1	120.7420	0.000	1	120.7420	0.000	1	119.2123	1.500	22	119.4736	3.506	39	120.0921	6.498	47
217	727	951	0:SP2_SP-NON_SP2	N[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(N[6a]C[6a]H)	H(N[6a]C[5a,6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(N[6a]C[6a]H){2|H<1>,4|C<3>}	H(N[6a]C[5a,6a]C[6a])	119.5575	0.719	2	119.9700	0.769	3	119.9700	0.769	3	119.2123	1.500	22	119.4736	3.506	39	120.0921	6.498	47
217	727	951	0:SP2_SP-NON_SP2	N[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(N[6a]C[6a]H)	H(N[6a]C[5a,6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(N[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	H(N[6a]C[5a,6a]C[6a])	120.7950	0.000	1	119.9700	0.769	3	119.9700	0.769	3	119.2123	1.500	22	119.4736	3.506	39	120.0921	6.498	47
217	727	951	0:SP2_SP-NON_SP2	N[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]C[5a]S[5a])(N[6a]C[6a]H)	H(N[6a]C[5a,6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|N<3>,1|O<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]C[5a]S[5a])(N[6a]C[6a]H){1|H<1>,1|O<1>,1|S<2>,3|C<3>}	H(N[6a]C[5a,6a]C[6a])	118.5695	0.131	2	118.5695	0.017	2	119.2165	0.258	8	119.2123	1.500	22	119.4736	3.506	39	120.0921	6.498	47
217	727	951	0:SP2_SP-NON_SP2	N[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]S[5a]C[5])(N[6a]C[6a]H)	H(N[6a]C[5a,6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]S[5a]C[5])(N[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	H(N[6a]C[5a,6a]C[6a])	119.0210	0.245	2	119.4322	0.135	6	119.2165	0.258	8	119.2123	1.500	22	119.4736	3.506	39	120.0921	6.498	47
217	727	951	0:SP2_SP-NON_SP2	N[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]S[5a]C[5])(N[6a]C[6a]H)	H(N[6a]C[5a,6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]S[5a]C[5])(N[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>}	H(N[6a]C[5a,6a]C[6a])	119.6377	0.189	4	119.4322	0.135	6	119.2165	0.258	8	119.2123	1.500	22	119.4736	3.506	39	120.0921	6.498	47
217	727	951	0:SP2_SP-NON_SP2	N[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]O)(H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a]C[5a]H)(N[6a]C[6a]H)	H(N[6a]C[5a,6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]O)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a]C[5a]H)(N[6a]C[6a]H){1|O<1>,4|C<3>}	H(N[6a]C[5a,6a]C[6a])	119.4295	0.192	2	119.4295	0.037	2	119.5500	0.033	4	119.2123	1.500	22	119.4736	3.506	39	120.0921	6.498	47
217	727	951	0:SP2_SP-NON_SP2	N[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]H)	H(N[6a]C[5a,6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|C<2>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]H){1|C<4>,1|O<1>,4|C<3>}	H(N[6a]C[5a,6a]C[6a])	119.7200	0.000	1	119.6705	0.005	2	119.5500	0.033	4	119.2123	1.500	22	119.4736	3.506	39	120.0921	6.498	47
217	727	951	0:SP2_SP-NON_SP2	N[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]H)	H(N[6a]C[5a,6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	H(N[6a]C[5a,6a]C[6a])	119.6210	0.000	1	119.6705	0.005	2	119.5500	0.033	4	119.2123	1.500	22	119.4736	3.506	39	120.0921	6.498	47
217	727	951	0:SP2_SP-NON_SP2	N[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]H)	H(N[6a]C[5a,6a]C[6a])	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>}	H(N[6a]C[5a,6a]C[6a])	116.9580	0.000	1	116.9580	0.000	1	118.3478	3.811	6	119.2123	1.500	22	119.4736	3.506	39	120.0921	6.498	47
217	727	951	0:SP2_SP-NON_SP2	N[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]Br)(N[6a]C[6a]H)	H(N[6a]C[5a,6a]C[6a])	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|Br<1>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]Br)(N[6a]C[6a]H){1|H<1>,1|O<1>,2|C<3>}	H(N[6a]C[5a,6a]C[6a])	118.9120	0.000	1	118.9120	0.000	1	118.3478	3.811	6	119.2123	1.500	22	119.4736	3.506	39	120.0921	6.498	47
217	727	951	0:SP2_SP-NON_SP2	N[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(N[6a]C[6a]H)	H(N[6a]C[5a,6a]C[6a])	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(N[6a]C[6a]H){1|C<4>,1|O<1>,4|C<3>}	H(N[6a]C[5a,6a]C[6a])	122.0720	0.000	1	122.0720	0.000	1	118.3478	3.811	6	119.2123	1.500	22	119.4736	3.506	39	120.0921	6.498	47
217	727	951	0:SP2_SP-NON_SP2	N[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]H)	H(N[6a]C[5a,6a]C[6a])	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>}	H(N[6a]C[5a,6a]C[6a])	117.6010	0.000	1	117.3817	0.068	3	118.3478	3.811	6	119.2123	1.500	22	119.4736	3.506	39	120.0921	6.498	47
217	727	951	0:SP2_SP-NON_SP2	N[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]H)	H(N[6a]C[5a,6a]C[6a])	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]H){1|H<1>,1|O<1>,2|C<3>}	H(N[6a]C[5a,6a]C[6a])	117.2720	0.255	2	117.3817	0.068	3	118.3478	3.811	6	119.2123	1.500	22	119.4736	3.506	39	120.0921	6.498	47
217	762	811	0:SP2_SP2_SP3	N[6,6a]	C[6]	B[6,6a]	4:3:3:	3:3:2:	3:3:3:3:	B[6,6a]-4:B[6,6a]-3:C[6]-3:	N[6,6a]-3:C[6a]-3:N[6]-2:	N[5a,6a]-3:N[6,6a]-3:N[6]-3:N[6]-3:	N[6,6a](B[6,6a]N[5a,6a]N[6]2)(B[6,6a]N[6a]N[6])(C[6]C[6a]N[6])	C[6](N[6,6a]B[6,6a]2)(C[6a]C[6a]2)(N[6]N[6])	B[6,6a](N[5a,6a]B[5a,6a]C[5a])(N[6,6a]B[6,6a]C[6])(N[6]C[6a]N[6])2	N[6,6a](B[6,6a]N[5a,6a]N[6]2)(B[6,6a]N[6a]N[6])(C[6]C[6a]N[6]){1|B<3>,1|N<3>,2|N<2>,7|C<3>}	C[6](N[6,6a]B[6,6a]2)(C[6a]C[6a]2)(N[6]N[6]){2|H<1>,3|C<3>,5|N<3>}	B[6,6a](N[5a,6a]B[5a,6a]C[5a])(N[6,6a]B[6,6a]C[6])(N[6]C[6a]N[6])2{2|N<2>,3|N<3>,7|C<3>}	120.0800	0.000	1	120.0800	0.000	1	120.0800	0.000	1	120.0800	0.000	1	120.0800	0.000	1	118.6798	5.093	6
217	762	811	0:SP2_SP2_SP3	N[6,6a]	C[6]	B[6a]	3:4:3:	3:3:1:	3:3:1:1:	C[6,6a]-3:B[6a]-4:C[6]-3:	N[6,6a]-3:C[6]-3:H-1:	C[6a,6a]-3:N[6,6a]-3:F-1:F-1:	N[6,6a](C[6,6a]C[6a,6a]C[6])(B[6a]C[6a,6a]FF)(C[6]C[6]H)	C[6](N[6,6a]C[6,6a]B[6a])(C[6]C[6]H)(H)	B[6a](C[6a,6a]C[3x6a]C[6a])(N[6,6a]C[6,6a]C[6])(F)2	N[6,6a](C[6,6a]C[6a,6a]C[6])(B[6a]C[6a,6a]FF)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](N[6,6a]C[6,6a]B[6a])(C[6]C[6]H)(H){1|H<1>,2|F<1>,3|C<3>}	B[6a](C[6a,6a]C[3x6a]C[6a])(N[6,6a]C[6,6a]C[6])(F)2{2|H<1>,5|C<3>}	114.9360	0.000	1	114.9360	0.000	1	114.9360	0.000	1	114.9360	0.000	1	118.3998	5.778	5	118.6798	5.093	6
217	762	811	0:SP2_SP2_SP3	N[6,6a]	C[6]	B[6a]	3:4:3:	3:3:1:	3:3:4:4:	C[6,6a]-3:B[6a]-4:C[6]-3:	N[6,6a]-3:C[6]-3:H-1:	C[6a,6a]-3:N[6,6a]-3:C-4:C-4:	N[6,6a](C[6,6a]C[6a,6a]C[6])(B[6a]C[6a,6a]CC)(C[6]C[6]H)	C[6](N[6,6a]C[6,6a]B[6a])(C[6]C[6]H)(H)	B[6a](C[6a,6a]C[3x6a]C[6a])(N[6,6a]C[6,6a]C[6])(CCHH)2	N[6,6a](C[6,6a]C[6a,6a]C[6])(B[6a]C[6a,6a]CC)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](N[6,6a]C[6,6a]B[6a])(C[6]C[6]H)(H){1|H<1>,2|C<4>,3|C<3>}	B[6a](C[6a,6a]C[3x6a]C[6a])(N[6,6a]C[6,6a]C[6])(CCHH)2{2|H<1>,5|C<3>}	117.6580	0.000	1	118.5257	0.771	3	118.5257	0.771	3	118.5257	0.771	3	118.3998	5.778	5	118.6798	5.093	6
217	762	811	0:SP2_SP2_SP3	N[6,6a]	C[6]	B[6a]	3:4:3:	3:3:1:	3:3:4:4:	C[6,6a]-3:B[6a]-4:C[6]-3:	N[6,6a]-3:C[6]-3:H-1:	C[6a,6a]-3:N[6,6a]-3:C-4:C-4:	N[6,6a](C[6,6a]C[6a,6a]C[6])(B[6a]C[6a,6a]CC)(C[6]C[6]H)	C[6](N[6,6a]C[6,6a]B[6a])(C[6]C[6]H)(H)	B[6a](C[6a,6a]C[3x6a]C[6a])(N[6,6a]C[6,6a]C[6])(CCHH)2	N[6,6a](C[6,6a]C[6a,6a]C[6])(B[6a]C[6a,6a]CC)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](N[6,6a]C[6,6a]B[6a])(C[6]C[6]H)(H){3|C<3>,3|C<4>}	B[6a](C[6a,6a]C[3x6a]C[6a])(N[6,6a]C[6,6a]C[6])(CCHH)2{2|H<1>,5|C<3>}	118.9595	0.643	2	118.5257	0.771	3	118.5257	0.771	3	118.5257	0.771	3	118.3998	5.778	5	118.6798	5.093	6
217	762	811	0:SP2_SP2_SP3	N[6,6a]	C[6]	B[6a]	3:4:3:	3:3:4:	3:3:4:4:	C[6,6a]-3:B[6a]-4:C[6]-3:	N[6,6a]-3:C[6]-3:C-4:	C[6a,6a]-3:N[6,6a]-3:C-4:C-4:	N[6,6a](C[6,6a]C[6a,6a]C[6])(B[6a]C[6a,6a]CC)(C[6]C[6]C)	C[6](N[6,6a]C[6,6a]B[6a])(C[6]C[6]H)(CH3)	B[6a](C[6a,6a]C[3x6a]C[6a])(N[6,6a]C[6,6a]C[6])(CCHH)2	N[6,6a](C[6,6a]C[6a,6a]C[6])(B[6a]C[6a,6a]CC)(C[6]C[6]C){2|H<1>,4|C<3>}	C[6](N[6,6a]C[6,6a]B[6a])(C[6]C[6]H)(CH3){1|H<1>,2|C<4>,3|C<3>}	B[6a](C[6a,6a]C[3x6a]C[6a])(N[6,6a]C[6,6a]C[6])(CCHH)2{1|C<4>,1|H<1>,5|C<3>}	121.4860	0.000	1	121.4860	0.000	1	121.4860	0.000	1	121.4860	0.000	1	118.3998	5.778	5	118.6798	5.093	6
217	762	811	6:SP2_SP2_SP3	N[6,6a]	C[6]	B[6,6,6a]	4:2:3:	3:2:4:	3:3:2:2:	B[6,6,6a]-4:N[6a]-2:C[6]-3:	N[6,6a]-3:O[6]-2:C-4:	C[6a,6a]-3:N[6,6a]-3:O[6,6]-2:O[6]-2:	N[6,6a](B[6,6,6a]C[6a,6a]O[6,6]O[6])(N[6a]C[6a])(C[6]O[6]C)	C[6](N[6,6a]B[6,6,6a]N[6a])(O[6]B[6,6,6a])(CCHH)	B[6,6,6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]N[6a]C[6])(O[6,6]B[6,6,6a])(O[6]C[6])	N[6,6a](B[6,6,6a]C[6a,6a]O[6,6]O[6])(N[6a]C[6a])(C[6]O[6]C){1|B<4>,1|H<1>,3|C<3>}	C[6](N[6,6a]B[6,6,6a]N[6a])(O[6]B[6,6,6a])(CCHH){1|N<3>,2|O<2>,3|C<3>}	B[6,6,6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]N[6a]C[6])(O[6,6]B[6,6,6a])(O[6]C[6]){1|H<1>,1|N<3>,1|O<2>,2|C<4>,4|C<3>}	119.5600	0.048	2	119.5600	0.002	2	120.4330	1.033	4	120.4330	1.033	4	120.4330	1.033	4	120.3877	1.154	8
217	762	811	6:SP2_SP2_SP3	N[6,6a]	C[6]	B[6,6,6a]	4:2:3:	3:2:4:	3:3:2:2:	B[6,6,6a]-4:N[6a]-2:C[6]-3:	N[6,6a]-3:O[6]-2:C-4:	C[6a,6a]-3:N[6,6a]-3:O[6,6]-2:O[6]-2:	N[6,6a](B[6,6,6a]C[6a,6a]O[6,6]O[6])(N[6a]C[6a])(C[6]O[6]C)	C[6](N[6,6a]B[6,6,6a]N[6a])(O[6]B[6,6,6a])(CH3)	B[6,6,6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]N[6a]C[6])(O[6,6]B[6,6,6a])(O[6]C[6])	N[6,6a](B[6,6,6a]C[6a,6a]O[6,6]O[6])(N[6a]C[6a])(C[6]O[6]C){1|B<4>,1|H<1>,3|C<3>}	C[6](N[6,6a]B[6,6,6a]N[6a])(O[6]B[6,6,6a])(CH3){1|N<3>,2|O<2>,3|C<3>}	B[6,6,6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]N[6a]C[6])(O[6,6]B[6,6,6a])(O[6]C[6]){1|H<1>,1|N<3>,1|O<2>,2|C<4>,4|C<3>}	121.3060	0.222	2	121.3060	0.049	2	120.4330	1.033	4	120.4330	1.033	4	120.4330	1.033	4	120.3877	1.154	8
217	762	811	6:SP2_SP2_SP3	N[6,6a]	C[6]	B[6,6a]	3:4:3:	3:3:1:	3:3:2:2:	C[6a,6a]-3:B[6,6a]-4:C[6]-3:	N[6,6a]-3:N[6]-3:H-1:	C[6,6a]-3:N[6,6a]-3:O[6a]-2:O-2:	N[6,6a](C[6a,6a]C[6a,6a]C[6a])(B[6,6a]C[6,6a]O[6a]O)(C[6]N[6]H)	C[6](N[6,6a]C[6a,6a]B[6,6a])(N[6]C[6,6a]H)(H)	B[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6a,6a]C[6])(O[6a]B[6a])(OC)	N[6,6a](C[6a,6a]C[6a,6a]C[6a])(B[6,6a]C[6,6a]O[6a]O)(C[6]N[6]H){1|B<3>,2|H<1>,4|C<3>}	C[6](N[6,6a]C[6a,6a]B[6,6a])(N[6]C[6,6a]H)(H){2|O<2>,4|C<3>}	B[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6a,6a]C[6])(O[6a]B[6a])(OC){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	121.8980	0.000	1	121.8980	0.000	1	121.8980	0.000	1	121.8980	0.000	1	120.3425	1.655	4	120.3877	1.154	8
217	762	811	6:SP2_SP2_SP3	N[6,6a]	C[6]	B[6,6a]	4:3:3:	3:3:1:	3:3:2:2:	B[6,6a]-4:C[6a,6a]-3:C[6]-3:	N[6,6a]-3:C[6,6a]-3:H-1:	N[6,6a]-3:C[6a]-3:O[6]-2:O[6a]-2:	N[6,6a](B[6,6a]C[6a]O[6a]O[6])(C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]H)	C[6](N[6,6a]C[6a,6a]B[6,6a])(C[6,6a]C[6,6a]C[6a])(H)	B[6,6a](N[6,6a]C[6a,6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(O[6a]C[6a])	N[6,6a](B[6,6a]C[6a]O[6a]O[6])(C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]H){1|H<1>,7|C<3>}	C[6](N[6,6a]C[6a,6a]B[6,6a])(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,2|O<2>,5|C<3>}	B[6,6a](N[6,6a]C[6a,6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(O[6a]C[6a]){1|O<1>,3|H<1>,6|C<3>}	120.7480	0.000	1	119.8240	0.869	3	119.8240	0.869	3	119.8240	0.869	3	120.3425	1.655	4	120.3877	1.154	8
217	762	811	6:SP2_SP2_SP3	N[6,6a]	C[6]	B[6,6a]	4:3:3:	3:3:1:	3:3:2:2:	B[6,6a]-4:C[6a,6a]-3:C[6]-3:	N[6,6a]-3:C[6,6a]-3:H-1:	N[6,6a]-3:C[6a]-3:O[6]-2:O[6a]-2:	N[6,6a](B[6,6a]C[6a]O[6a]O[6])(C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]H)	C[6](N[6,6a]C[6a,6a]B[6,6a])(C[6,6a]C[6,6a]C[6a])(H)	B[6,6a](N[6,6a]C[6a,6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(O[6a]C[6a])	N[6,6a](B[6,6a]C[6a]O[6a]O[6])(C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]H){1|H<1>,7|C<3>}	C[6](N[6,6a]C[6a,6a]B[6,6a])(C[6,6a]C[6,6a]C[6a])(H){3|O<2>,5|C<3>}	B[6,6a](N[6,6a]C[6a,6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(O[6a]C[6a]){1|O<1>,3|H<1>,6|C<3>}	119.3620	0.676	2	119.8240	0.869	3	119.8240	0.869	3	119.8240	0.869	3	120.3425	1.655	4	120.3877	1.154	8
217	762	927	6:SP2_SP2_SP2	N[6,6a]	C[6]	B[6,6a]	3:2:3:	3:4:1:	3:3:2:	B[6,6a]-3:N[6a]-2:C[6]-3:	N[6,6a]-3:C[6]-4:O-1:	C[6a,6a]-3:N[6,6a]-3:O[6]-2:	N[6,6a](B[6,6a]C[6a,6a]O[6])(N[6a]C[6a])(C[6]C[6]O)	C[6](N[6,6a]B[6,6a]N[6a])(C[6]C[6]HN)(O)	B[6,6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]N[6a]C[6])(O[6]C[6])	N[6,6a](B[6,6a]C[6a,6a]O[6])(N[6a]C[6a])(C[6]C[6]O){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](N[6,6a]B[6,6a]N[6a])(C[6]C[6]HN)(O){1|O<2>,2|C<3>,2|H<1>}	B[6,6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]N[6a]C[6])(O[6]C[6]){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	123.1330	0.000	1	122.7400	0.309	2	122.7400	0.309	2	122.7400	0.309	2	120.0757	21.450	3	120.0757	21.450	3
217	762	927	6:SP2_SP2_SP2	N[6,6a]	C[6]	B[6,6a]	3:2:3:	3:4:1:	3:3:2:	B[6,6a]-3:N[6a]-2:C[6]-3:	N[6,6a]-3:C[6]-4:O-1:	C[6a,6a]-3:N[6,6a]-3:O[6]-2:	N[6,6a](B[6,6a]C[6a,6a]O[6])(N[6a]C[6a])(C[6]C[6]O)	C[6](N[6,6a]B[6,6a]N[6a])(C[6]C[6]HN)(O)	B[6,6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]N[6a]C[6])(O[6]C[6])	N[6,6a](B[6,6a]C[6a,6a]O[6])(N[6a]C[6a])(C[6]C[6]O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](N[6,6a]B[6,6a]N[6a])(C[6]C[6]HN)(O){1|O<2>,2|C<3>,2|H<1>}	B[6,6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]N[6a]C[6])(O[6]C[6]){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	122.3470	0.000	1	122.7400	0.309	2	122.7400	0.309	2	122.7400	0.309	2	120.0757	21.450	3	120.0757	21.450	3
217	762	927	6:SP2_SP2_SP2	N[6,6a]	C[6]	B[6,6a]	4:3:3:	3:3:2:	3:3:3:	B[6,6a]-4:B[6,6a]-3:C[6]-3:	N[6,6a]-3:C[6a]-3:N[6]-2:	N[6,6a]-3:N[6a]-3:N[6]-3:	N[6,6a](B[6,6a]N[5a,6a]N[6]2)(B[6,6a]N[6a]N[6])(C[6]C[6a]N[6])	C[6](N[6,6a]B[6,6a]2)(C[6a]C[6a]2)(N[6]N[6])	B[6,6a](N[6,6a]B[6,6a]C[6])(N[6a]B[5a,6a]C[6a])(N[6]C[6a]N[6])	N[6,6a](B[6,6a]N[5a,6a]N[6]2)(B[6,6a]N[6a]N[6])(C[6]C[6a]N[6]){1|B<3>,1|N<3>,2|N<2>,7|C<3>}	C[6](N[6,6a]B[6,6a]2)(C[6a]C[6a]2)(N[6]N[6]){2|H<1>,3|C<3>,5|N<3>}	B[6,6a](N[6,6a]B[6,6a]C[6])(N[6a]B[5a,6a]C[6a])(N[6]C[6a]N[6]){1|N<2>,4|N<3>,6|C<3>}	114.7470	0.000	1	114.7470	0.000	1	114.7470	0.000	1	114.7470	0.000	1	120.0757	21.450	3	120.0757	21.450	3
217	811	811	6:SP2_SP3_SP3	N[6a]	B[6a]	B[6a]	4:4:2:	3:3:3:2:	3:3:3:2:	B[6a]-4:B[6a]-4:N-2:	C[6a]-3:N[6a]-3:N[6a]-3:N-2:	C[6a]-3:N[6a]-3:N[6a]-3:N-2:	N[6a](B[6a]C[6a]N[6a]N)2(NN)	B[6a](C[6a]C[6a]2)(N[6a]B[6a]N)2(NN)	B[6a](C[6a]C[6a]2)(N[6a]B[6a]N)2(NN)	N[6a](B[6a]C[6a]N[6a]N)2(NN){1|B<4>,2|N<2>,4|C<3>}	B[6a](C[6a]C[6a]2)(N[6a]B[6a]N)2(NN){1|N<3>,2|F<1>,2|N<2>,4|C<3>}	B[6a](C[6a]C[6a]2)(N[6a]B[6a]N)2(NN){1|N<3>,2|F<1>,2|N<2>,4|C<3>}	126.2813	0.756	3	126.2813	0.571	3	126.2813	0.571	3	126.2813	0.571	3	126.2813	0.571	3	126.2813	0.571	3
217	811	927	6:SP2_SP2_SP3	N[6,6a]	B[6,6a]	B[6,6a]	4:3:3:	3:3:3:3:	3:3:3:	B[6,6a]-4:B[6,6a]-3:C[6]-3:	N[5a,6a]-3:N[6,6a]-3:N[6]-3:N[6]-3:	N[6,6a]-3:N[6a]-3:N[6]-3:	N[6,6a](B[6,6a]N[5a,6a]N[6]2)(B[6,6a]N[6a]N[6])(C[6]C[6a]N[6])	B[6,6a](N[5a,6a]B[5a,6a]C[5a])(N[6,6a]B[6,6a]C[6])(N[6]C[6a]N[6])2	B[6,6a](N[6,6a]B[6,6a]C[6])(N[6a]B[5a,6a]C[6a])(N[6]C[6a]N[6])	N[6,6a](B[6,6a]N[5a,6a]N[6]2)(B[6,6a]N[6a]N[6])(C[6]C[6a]N[6]){1|B<3>,1|N<3>,2|N<2>,7|C<3>}	B[6,6a](N[5a,6a]B[5a,6a]C[5a])(N[6,6a]B[6,6a]C[6])(N[6]C[6a]N[6])2{2|N<2>,3|N<3>,7|C<3>}	B[6,6a](N[6,6a]B[6,6a]C[6])(N[6a]B[5a,6a]C[6a])(N[6]C[6a]N[6]){1|N<2>,4|N<3>,6|C<3>}	123.9210	0.000	1	123.9210	0.000	1	123.9210	0.000	1	123.9210	0.000	1	123.9210	0.000	1	123.9210	0.000	1
217	811	941	0:SP2_SP2_SP3	N[6a]	B[6a]	N	4:4:2:	3:3:3:2:	3:1:	B[6a]-4:B[6a]-4:N-2:	C[6a]-3:N[6a]-3:N[6a]-3:N-2:	N[6a]-3:N-1:	N[6a](B[6a]C[6a]N[6a]N)2(NN)	B[6a](C[6a]C[6a]2)(N[6a]B[6a]N)2(NN)	N(N[6a]B[6a]2)(N)	N[6a](B[6a]C[6a]N[6a]N)2(NN){1|B<4>,2|N<2>,4|C<3>}	B[6a](C[6a]C[6a]2)(N[6a]B[6a]N)2(NN){1|N<3>,2|F<1>,2|N<2>,4|C<3>}	N(N[6a]B[6a]2)(N)	115.8597	1.017	6	115.8597	1.034	6	115.8597	1.034	6	115.8597	1.034	6	115.8597	1.034	6	115.8597	1.034	6
217	880	927	0:SP2_SP2_SP3	N[6a]	Si	B[6a]	3:3:4:	3:4:4:4:	3:3:3:	B[6a]-3:C[6a]-3:Si-4:	N[6a]-3:C-4:C-4:C-4:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](B[6a]C[6a]2)(C[6a]C[6a]H)(SiC3)	Si(N[6a]B[6a]C[6a])(CH3)3	B[6a](N[6a]C[6a]Si)(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](B[6a]C[6a]2)(C[6a]C[6a]H)(SiC3){2|H<1>,3|C<3>}	Si(N[6a]B[6a]C[6a])(CH3)3	B[6a](N[6a]C[6a]Si)(C[6a]C[6a]2)(C[6a]C[6a]H){3|C<3>,4|H<1>}	125.4450	0.000	1	125.4450	0.000	1	125.4450	0.000	1	125.4450	0.000	1	125.4450	0.000	1	125.4450	0.000	1
217	927	927	0:SP2_SP2_SP2	N[6a,6a]	B[6a]	B[6a]	3:3:3:	3:3:3:	3:3:3:	B[6a]-3:B[6a]-3:C[3x6a]-3:	C[6a,6a]-3:N[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a,6a]-3:C[6a]-3:	N[6a,6a](B[6a]C[6a,6a]C[6a])2(C[3x6a]C[6a,6a]2)	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[3x6a]B[6a])(C[6a]C[6a]2)	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[3x6a]B[6a])(C[6a]C[6a]2)	N[6a,6a](B[6a]C[6a,6a]C[6a])2(C[3x6a]C[6a,6a]2){10|C<3>}	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[3x6a]B[6a])(C[6a]C[6a]2){1|H<1>,2|C<4>,8|C<3>}	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[3x6a]B[6a])(C[6a]C[6a]2){1|H<1>,2|C<4>,8|C<3>}	122.3910	0.052	2	122.3910	0.003	2	122.3910	0.003	2	123.0193	1.186	3	123.0193	1.186	3	123.0193	1.186	3
217	927	927	0:SP2_SP2_SP2	N[6a,6a]	B[6a]	B[6a]	3:3:3:	3:3:3:	3:3:3:	C[3x6a]-3:B[6a]-3:B[6a]-3:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a](C[3x6a]C[6a,6a]2)(B[6a]C[6a]2)2	B[6a](N[6a,6a]C[3x6a]B[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	B[6a](N[6a,6a]C[3x6a]B[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a,6a](C[3x6a]C[6a,6a]2)(B[6a]C[6a]2)2{2|H<1>,8|C<3>}	B[6a](N[6a,6a]C[3x6a]B[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	B[6a](N[6a,6a]C[3x6a]B[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	124.2760	0.000	1	124.2760	0.000	1	124.2760	0.000	1	123.0193	1.186	3	123.0193	1.186	3	123.0193	1.186	3
217	927	927	6:SP2_SP2_SP2	N[3x6a]	B[6a,6a]	B[6a,6a]	3:3:3:	3:3:3:	3:3:3:	B[6a,6a]-3:B[6a,6a]-3:C[3x6a]-3:	N[3x6a]-3:C[6a,6a]-3:C[6a,6a]-3:	N[3x6a]-3:C[6a,6a]-3:C[6a,6a]-3:	N[3x6a](B[6a,6a]C[6a,6a]2)2(C[3x6a]C[6a,6a]2)	B[6a,6a](N[3x6a]B[6a,6a]C[3x6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])	B[6a,6a](N[3x6a]B[6a,6a]C[3x6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])	N[3x6a](B[6a,6a]C[6a,6a]2)2(C[3x6a]C[6a,6a]2){9|C<3>}	B[6a,6a](N[3x6a]B[6a,6a]C[3x6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a]){2|H<1>,8|C<3>}	B[6a,6a](N[3x6a]B[6a,6a]C[3x6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a]){2|H<1>,8|C<3>}	119.2380	0.270	2	119.2380	0.073	2	119.2380	0.073	2	119.2380	0.073	2	119.2380	0.073	2	121.4603	2.900	67
217	927	927	6:SP2_SP2_SP2	N[6a,6a]	B[6a]	B[6a]	3:3:3:	3:3:3:	3:3:3:	C[3x6a]-3:B[6a]-3:B[6a]-3:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a](C[3x6a]C[6a,6a]2)(B[6a]C[6a]2)2	B[6a](N[6a,6a]C[3x6a]B[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	B[6a](N[6a,6a]C[3x6a]B[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a,6a](C[3x6a]C[6a,6a]2)(B[6a]C[6a]2)2{2|H<1>,8|C<3>}	B[6a](N[6a,6a]C[3x6a]B[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	B[6a](N[6a,6a]C[3x6a]B[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	122.7900	0.000	1	122.7900	0.000	1	122.7900	0.000	1	122.7900	0.000	1	122.7900	0.000	1	121.4603	2.900	67
217	927	927	6:SP2_SP2_SP2	N[6a]	B[6a]	B[6a]	3:3:1:	3:3:1:	3:3:1:	B[6a]-3:B[6a]-3:H-1:	N[6a]-3:N[6a]-3:Br-1:	N[6a]-3:N[6a]-3:Br-1:	N[6a](B[6a]N[6a]Br)2(H)	B[6a](N[6a]B[6a]H)2(Br)	B[6a](N[6a]B[6a]H)2(Br)	N[6a](B[6a]N[6a]Br)2(H){1|B<3>,2|H<1>}	B[6a](N[6a]B[6a]H)2(Br){2|Br<1>,1|N<3>}	B[6a](N[6a]B[6a]H)2(Br){2|Br<1>,1|N<3>}	120.4695	0.223	2	120.4695	0.050	2	120.4695	0.050	2	119.9963	0.316	4	121.5090	2.849	64	121.4603	2.900	67
217	927	927	6:SP2_SP2_SP2	N[6a]	B[6a]	B[6a]	3:3:1:	3:3:1:	3:3:1:	B[6a]-3:B[6a]-3:H-1:	N[6a]-3:N[6a]-3:Cl-1:	N[6a]-3:N[6a]-3:Cl-1:	N[6a](B[6a]N[6a]Cl)2(H)	B[6a](N[6a]B[6a]H)2(Cl)	B[6a](N[6a]B[6a]H)2(Cl)	N[6a](B[6a]N[6a]Cl)2(H){1|B<3>,2|H<1>}	B[6a](N[6a]B[6a]H)2(Cl){1|Cl<1>,2|N<3>}	B[6a](N[6a]B[6a]H)2(Cl){1|Cl<1>,2|N<3>}	119.5230	0.055	2	119.5230	0.003	2	119.5230	0.003	2	119.9963	0.316	4	121.5090	2.849	64	121.4603	2.900	67
217	927	927	6:SP2_SP2_SP2	N[6a]	B[6a]	B[6a]	3:3:1:	3:3:2:	3:3:2:	B[6a]-3:B[6a]-3:H-1:	N[6a]-3:N[6a]-3:C-2:	N[6a]-3:N[6a]-3:C-2:	N[6a](B[6a]N[6a]C)2(H)	B[6a](N[6a]B[6a]H)2(CC)	B[6a](N[6a]B[6a]H)2(CC)	N[6a](B[6a]N[6a]C)2(H){1|B<3>,2|H<1>}	B[6a](N[6a]B[6a]H)2(CC){1|N<3>,2|C<2>}	B[6a](N[6a]B[6a]H)2(CC){1|N<3>,2|C<2>}	122.5677	0.240	3	122.5677	0.058	3	122.5677	0.058	3	122.0477	0.334	9	121.5090	2.849	64	121.4603	2.900	67
217	927	927	6:SP2_SP2_SP2	N[6a]	B[6a]	B[6a]	3:3:1:	3:3:2:	3:3:2:	B[6a]-3:B[6a]-3:H-1:	N[6a]-3:N[6a]-3:N-2:	N[6a]-3:N[6a]-3:N-2:	N[6a](B[6a]N[6a]N)2(H)	B[6a](N[6a]B[6a]H)2(NN)	B[6a](N[6a]B[6a]H)2(NN)	N[6a](B[6a]N[6a]N)2(H){1|B<3>,2|H<1>}	B[6a](N[6a]B[6a]H)2(NN){1|N<3>,2|N<2>}	B[6a](N[6a]B[6a]H)2(NN){1|N<3>,2|N<2>}	121.7877	0.517	6	121.7877	0.268	6	121.7877	0.268	6	122.0477	0.334	9	121.5090	2.849	64	121.4603	2.900	67
217	927	927	6:SP2_SP2_SP2	N[6a]	B[6a]	B[6a]	3:3:1:	3:3:3:	3:3:1:	B[6a]-3:B[6a]-3:H-1:	N[6a]-3:N[6a]-3:N-3:	N[6a]-3:N[6a]-3:Cl-1:	N[6a](B[6a]N[6a]Cl)(B[6a]N[6a]N)(H)	B[6a](N[6a]B[6a]H)2(NCC)	B[6a](N[6a]B[6a]H)2(Cl)	N[6a](B[6a]N[6a]Cl)(B[6a]N[6a]N)(H){1|B<3>,2|H<1>}	B[6a](N[6a]B[6a]H)2(NCC){2|Cl<1>,1|N<3>}	B[6a](N[6a]B[6a]H)2(Cl){1|Cl<1>,2|N<3>}	122.8130	0.289	4	122.8130	0.084	4	122.8130	0.084	4	122.8130	0.084	4	121.5090	2.849	64	121.4603	2.900	67
217	927	927	6:SP2_SP2_SP2	N[6a]	B[6a]	B[6a]	3:3:1:	3:3:3:	3:3:3:	B[6a]-3:B[6a]-3:H-1:	N[6a]-3:N[6a]-3:C-3:	N[6a]-3:N[6a]-3:C-3:	N[6a](B[6a]N[6a]C)2(H)	B[6a](N[6a]B[6a]H)2(CCH)	B[6a](N[6a]B[6a]H)2(CCH)	N[6a](B[6a]N[6a]C)2(H){1|B<3>,2|H<1>}	B[6a](N[6a]B[6a]H)2(CCH){1|N<3>,2|C<3>}	B[6a](N[6a]B[6a]H)2(CCH){1|N<3>,2|C<3>}	123.3910	0.502	3	123.3910	0.252	3	123.3910	0.252	3	123.4805	0.192	6	121.5090	2.849	64	121.4603	2.900	67
217	927	927	6:SP2_SP2_SP2	N[6a]	B[6a]	B[6a]	3:3:1:	3:3:3:	3:3:3:	B[6a]-3:B[6a]-3:H-1:	N[6a]-3:N[6a]-3:N-3:	N[6a]-3:N[6a]-3:N-3:	N[6a](B[6a]N[6a]N)2(H)	B[6a](N[6a]B[6a]H)2(NSiH)	B[6a](N[6a]B[6a]H)2(NCC)	N[6a](B[6a]N[6a]N)2(H){1|B<3>,2|H<1>}	B[6a](N[6a]B[6a]H)2(NSiH){3|N<3>}	B[6a](N[6a]B[6a]H)2(NCC){3|N<3>}	123.8310	0.031	2	123.8310	0.001	2	123.5700	0.205	3	123.4805	0.192	6	121.5090	2.849	64	121.4603	2.900	67
217	927	927	6:SP2_SP2_SP2	N[6a]	B[6a]	B[6a]	3:3:1:	3:3:3:	3:3:3:	B[6a]-3:B[6a]-3:H-1:	N[6a]-3:N[6a]-3:N-3:	N[6a]-3:N[6a]-3:N-3:	N[6a](B[6a]N[6a]N)2(H)	B[6a](N[6a]B[6a]H)2(NSiH)	B[6a](N[6a]B[6a]H)2(NSiH)	N[6a](B[6a]N[6a]N)2(H){1|B<3>,2|H<1>}	B[6a](N[6a]B[6a]H)2(NSiH){3|N<3>}	B[6a](N[6a]B[6a]H)2(NSiH){3|N<3>}	123.0480	0.000	1	123.0480	0.000	1	123.5700	0.205	3	123.4805	0.192	6	121.5090	2.849	64	121.4603	2.900	67
217	927	927	6:SP2_SP2_SP2	N[6a]	B[6a]	B[6a]	3:3:1:	4:3:3:	4:3:3:	B[6a]-3:B[6a]-3:H-1:	C[5]-4:N[6a]-3:N[6a]-3:	C[5]-4:N[6a]-3:N[6a]-3:	N[6a](B[6a]N[6a]C[5])2(H)	B[6a](C[5]C[5]2Fe)(N[6a]B[6a]H)2	B[6a](C[5]C[5]2Fe)(N[6a]B[6a]H)2	N[6a](B[6a]N[6a]C[5])2(H){2|Fe<10>,1|B<3>,2|H<1>,4|C<4>}	B[6a](C[5]C[5]2Fe)(N[6a]B[6a]H)2{1|N<3>,2|H<1>,4|C<4>}	B[6a](C[5]C[5]2Fe)(N[6a]B[6a]H)2{1|N<3>,2|H<1>,4|C<4>}	124.4875	1.187	2	124.4875	1.410	2	124.4875	1.410	2	124.4875	1.410	2	121.5090	2.849	64	121.4603	2.900	67
217	927	927	6:SP2_SP2_SP2	N[6a]	B[6a]	B[6a]	3:3:3:	3:3:1:	3:3:1:	B[6a]-3:B[6a]-3:C[6a]-3:	N[6a]-3:N[6a]-3:Cl-1:	N[6a]-3:N[6a]-3:Cl-1:	N[6a](B[6a]N[6a]Cl)2(C[6a]C[6a]2)	B[6a](N[6a]B[6a]C[6a])2(Cl)	B[6a](N[6a]B[6a]C[6a])2(Cl)	N[6a](B[6a]N[6a]Cl)2(C[6a]C[6a]2){1|B<3>,2|H<1>,4|C<3>}	B[6a](N[6a]B[6a]C[6a])2(Cl){2|Cl<1>,1|N<3>,4|C<3>}	B[6a](N[6a]B[6a]C[6a])2(Cl){2|Cl<1>,1|N<3>,4|C<3>}	119.9420	0.319	3	119.9420	0.102	3	119.9420	0.102	3	121.0024	0.557	12	121.5090	2.849	64	121.4603	2.900	67
217	927	927	6:SP2_SP2_SP2	N[6a]	B[6a]	B[6a]	3:3:3:	3:3:1:	3:3:1:	B[6a]-3:B[6a]-3:C[6a]-3:	N[6a]-3:N[6a]-3:H-1:	N[6a]-3:N[6a]-3:H-1:	N[6a](B[6a]N[6a]H)2(C[6a]C[6a]2)	B[6a](N[6a]B[6a]C[6a])2(H)	B[6a](N[6a]B[6a]C[6a])2(H)	N[6a](B[6a]N[6a]H)2(C[6a]C[6a]2){1|B<3>,1|H<1>,5|C<3>}	B[6a](N[6a]B[6a]C[6a])2(H){1|N<3>,2|H<1>,4|C<3>}	B[6a](N[6a]B[6a]C[6a])2(H){1|N<3>,2|H<1>,4|C<3>}	121.5658	0.296	6	121.3559	0.178	9	121.3559	0.178	9	121.0024	0.557	12	121.5090	2.849	64	121.4603	2.900	67
217	927	927	6:SP2_SP2_SP2	N[6a]	B[6a]	B[6a]	3:3:3:	3:3:1:	3:3:1:	B[6a]-3:B[6a]-3:C[6a]-3:	N[6a]-3:N[6a]-3:H-1:	N[6a]-3:N[6a]-3:H-1:	N[6a](B[6a]N[6a]H)2(C[6a]C[6a]2)	B[6a](N[6a]B[6a]C[6a])2(H)	B[6a](N[6a]B[6a]C[6a])2(H)	N[6a](B[6a]N[6a]H)2(C[6a]C[6a]2){1|B<3>,2|H<1>,4|C<3>}	B[6a](N[6a]B[6a]C[6a])2(H){1|N<3>,2|H<1>,4|C<3>}	B[6a](N[6a]B[6a]C[6a])2(H){1|N<3>,2|H<1>,4|C<3>}	120.9360	0.312	3	121.3559	0.178	9	121.3559	0.178	9	121.0024	0.557	12	121.5090	2.849	64	121.4603	2.900	67
217	927	927	6:SP2_SP2_SP2	N[6a]	B[6a]	B[6a]	3:3:3:	3:3:3:	3:3:2:	B[6a]-3:B[6a]-3:C[6a]-3:	N[6a]-3:N[6a]-3:C[6a]-3:	N[6a]-3:N[6a]-3:O-2:	N[6a](B[6a]C[6a]N[6a])(B[6a]N[6a]O)(C[6a]C[6a]2)	B[6a](N[6a]B[6a]C[6a])2(C[6a]C[6a]2)	B[6a](N[6a]B[6a]C[6a])2(OH)	N[6a](B[6a]C[6a]N[6a])(B[6a]N[6a]O)(C[6a]C[6a]2){1|B<3>,2|H<1>,6|C<3>}	B[6a](N[6a]B[6a]C[6a])2(C[6a]C[6a]2){1|N<3>,1|O<2>,2|C<4>,7|C<3>}	B[6a](N[6a]B[6a]C[6a])2(OH){1|N<3>,6|C<3>}	122.1935	1.276	2	122.1935	1.629	2	122.1935	1.629	2	122.1935	1.629	2	121.5090	2.849	64	121.4603	2.900	67
217	927	927	6:SP2_SP2_SP2	N[6a]	B[6a]	B[6a]	3:3:3:	3:3:3:	3:3:3:	B[6a]-3:B[6a]-3:C[6a]-3:	N[6a]-3:N[6a]-3:C[6a]-3:	N[6a]-3:N[6a]-3:C[6a]-3:	N[6a](B[6a]C[6a]N[6a])2(C[6a]C[6a]2)	B[6a](N[6a]B[6a]C[6a])2(C[6a]C[6a]2)	B[6a](N[6a]B[6a]C[6a])2(C[6a]C[6a]2)	N[6a](B[6a]C[6a]N[6a])2(C[6a]C[6a]2){1|B<3>,2|H<1>,8|C<3>}	B[6a](N[6a]B[6a]C[6a])2(C[6a]C[6a]2){1|N<3>,1|O<2>,2|C<4>,7|C<3>}	B[6a](N[6a]B[6a]C[6a])2(C[6a]C[6a]2){1|N<3>,1|O<2>,2|C<4>,7|C<3>}	122.9930	0.000	1	122.4985	0.190	10	122.4985	0.190	10	122.4985	0.190	10	121.5090	2.849	64	121.4603	2.900	67
217	927	927	6:SP2_SP2_SP2	N[6a]	B[6a]	B[6a]	3:3:3:	3:3:3:	3:3:3:	B[6a]-3:B[6a]-3:C[6a]-3:	N[6a]-3:N[6a]-3:C[6a]-3:	N[6a]-3:N[6a]-3:C[6a]-3:	N[6a](B[6a]C[6a]N[6a])2(C[6a]C[6a]2)	B[6a](N[6a]B[6a]C[6a])2(C[6a]C[6a]2)	B[6a](N[6a]B[6a]C[6a])2(C[6a]C[6a]2)	N[6a](B[6a]C[6a]N[6a])2(C[6a]C[6a]2){1|B<3>,2|H<1>,8|C<3>}	B[6a](N[6a]B[6a]C[6a])2(C[6a]C[6a]2){1|N<3>,2|C<4>,8|C<3>}	B[6a](N[6a]B[6a]C[6a])2(C[6a]C[6a]2){1|N<3>,2|C<4>,8|C<3>}	122.4436	0.424	9	122.4985	0.190	10	122.4985	0.190	10	122.4985	0.190	10	121.5090	2.849	64	121.4603	2.900	67
217	927	927	6:SP2_SP2_SP2	N[6a]	B[6a]	B[6a]	3:3:4:	3:3:1:	3:3:1:	B[6a]-3:B[6a]-3:C-4:	N[6a]-3:N[6a]-3:Cl-1:	N[6a]-3:N[6a]-3:Cl-1:	N[6a](B[6a]N[6a]Cl)2(CH3)	B[6a](N[6a]B[6a]C)2(Cl)	B[6a](N[6a]B[6a]C)2(Cl)	N[6a](B[6a]N[6a]Cl)2(CH3){1|B<3>,2|C<4>}	B[6a](N[6a]B[6a]C)2(Cl){2|Cl<1>,1|N<3>}	B[6a](N[6a]B[6a]C)2(Cl){2|Cl<1>,1|N<3>}	118.8230	0.367	6	118.8230	0.134	6	118.8230	0.134	6	118.8230	0.134	6	121.5090	2.849	64	121.4603	2.900	67
217	927	927	6:SP2_SP2_SP2	N[6a]	B[6a]	B[6a]	3:3:4:	3:3:3:	3:3:1:	B[6a]-3:B[6a]-3:C-4:	N[6a]-3:N[6a]-3:N-3:	N[6a]-3:N[6a]-3:Cl-1:	N[6a](B[6a]N[6a]Cl)(B[6a]N[6a]N)(CH3)	B[6a](N[6a]B[6a]C)2(NCC)	B[6a](N[6a]B[6a]C)2(Cl)	N[6a](B[6a]N[6a]Cl)(B[6a]N[6a]N)(CH3){1|B<3>,2|C<4>}	B[6a](N[6a]B[6a]C)2(NCC){1|Cl<1>,2|N<3>}	B[6a](N[6a]B[6a]C)2(Cl){3|N<3>}	119.4865	0.339	2	119.4865	0.115	2	119.4865	0.115	2	119.4865	0.115	2	121.5090	2.849	64	121.4603	2.900	67
217	927	927	6:SP2_SP2_SP2	N[6a]	B[6a]	B[6a]	3:3:4:	3:3:3:	3:3:2:	B[6a]-3:B[6a]-3:C-4:	N[6a]-3:N[6a]-3:N-3:	N[6a]-3:N[6a]-3:O-2:	N[6a](B[6a]N[6a]N)(B[6a]N[6a]O)(CH3)	B[6a](N[6a]B[6a]C)2(NCC)	B[6a](N[6a]B[6a]C)2(ON)	N[6a](B[6a]N[6a]N)(B[6a]N[6a]O)(CH3){1|B<3>,2|C<4>}	B[6a](N[6a]B[6a]C)2(NCC){1|O<2>,2|N<3>}	B[6a](N[6a]B[6a]C)2(ON){3|N<3>}	119.1120	0.223	2	119.1120	0.050	2	119.1120	0.050	2	119.1120	0.050	2	121.5090	2.849	64	121.4603	2.900	67
217	927	927	6:SP2_SP2_SP2	N[6a]	B[6a]	B[6a]	3:3:4:	3:3:3:	3:3:3:	B[6a]-3:B[6a]-3:C-4:	N[6a]-3:N[6a]-3:N-3:	N[6a]-3:N[6a]-3:N-3:	N[6a](B[6a]N[6a]N)2(CH3)	B[6a](N[6a]B[6a]C)2(NCC)	B[6a](N[6a]B[6a]C)2(NCC)	N[6a](B[6a]N[6a]N)2(CH3){1|B<3>,2|C<4>}	B[6a](N[6a]B[6a]C)2(NCC){1|Cl<1>,2|N<3>}	B[6a](N[6a]B[6a]C)2(NCC){1|Cl<1>,2|N<3>}	123.4180	0.000	1	121.1026	6.434	5	121.1026	6.434	5	121.1026	6.434	5	121.5090	2.849	64	121.4603	2.900	67
217	927	927	6:SP2_SP2_SP2	N[6a]	B[6a]	B[6a]	3:3:4:	3:3:3:	3:3:3:	B[6a]-3:B[6a]-3:C-4:	N[6a]-3:N[6a]-3:N-3:	N[6a]-3:N[6a]-3:N-3:	N[6a](B[6a]N[6a]N)2(CH3)	B[6a](N[6a]B[6a]C)2(NCC)	B[6a](N[6a]B[6a]C)2(NCC)	N[6a](B[6a]N[6a]N)2(CH3){1|B<3>,2|C<4>}	B[6a](N[6a]B[6a]C)2(NCC){1|O<2>,2|N<3>}	B[6a](N[6a]B[6a]C)2(NCC){1|O<2>,2|N<3>}	123.8050	0.000	1	121.1026	6.434	5	121.1026	6.434	5	121.1026	6.434	5	121.5090	2.849	64	121.4603	2.900	67
217	927	927	6:SP2_SP2_SP2	N[6a]	B[6a]	B[6a]	3:3:4:	3:3:3:	3:3:3:	B[6a]-3:B[6a]-3:C-4:	N[6a]-3:N[6a]-3:N-3:	N[6a]-3:N[6a]-3:N-3:	N[6a](B[6a]N[6a]N)2(CH3)	B[6a](N[6a]B[6a]C)2(NCC)	B[6a](N[6a]B[6a]C)2(NCC)	N[6a](B[6a]N[6a]N)2(CH3){1|B<3>,2|C<4>}	B[6a](N[6a]B[6a]C)2(NCC){3|N<3>}	B[6a](N[6a]B[6a]C)2(NCC){3|N<3>}	119.4300	1.530	3	121.1026	6.434	5	121.1026	6.434	5	121.1026	6.434	5	121.5090	2.849	64	121.4603	2.900	67
217	927	930	0:SP2_SP2_SP2	N[6a]	B[6a]	C	3:2:3:	3:3:2:	3:3:1:	B[6a]-3:N[6a]-2:C-3:	C[6a,6a]-3:N[6a]-3:O-2:	N[6a]-3:N-3:O-1:	N[6a](B[6a]C[6a,6a]O)(N[6a]C[6a])(CNO)	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]C)(OH)	C(N[6a]B[6a]N[6a])(NHH)(O)	N[6a](B[6a]C[6a,6a]O)(N[6a]C[6a])(CNO){1|H<1>,2|C<3>}	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]C)(OH){1|H<1>,3|C<3>}	C(N[6a]B[6a]N[6a])(NHH)(O)	122.4570	0.000	1	122.4570	0.000	1	122.4570	0.000	1	122.4570	0.000	1	122.4570	0.000	1	122.4570	0.000	1
217	927	941	0:SP2_SP2_SP2	N[6a]	B[6a]	N	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:B[6a]-3:N-2:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a]-3:N-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]C[6a])(NN)	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]N)(C[6a]C[6a]2)	N(N[6a]C[6a,6a]B[6a])(NC[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]C[6a])(NN){1|H<1>,6|C<3>}	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]N)(C[6a]C[6a]2){3|H<1>,6|C<3>}	N(N[6a]C[6a,6a]B[6a])(NC[6a])	122.0840	0.000	1	122.0840	0.000	1	122.0840	0.000	1	122.0840	0.000	1	122.0840	0.000	1	122.0840	0.000	1
217	927	951	0:SP2_SP-NON_SP2	N[6a]	B[6a,6a]	H	3:3:1:	3:3:3:	3:	B[6a,6a]-3:C[6a,6a]-3:H-1:	B[6a,6a]-3:N[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](B[6a,6a]B[6a,6a]N[6a])(C[6a,6a]C[6a,6a]C[6a])(H)	B[6a,6a](B[6a,6a]N[6a]2)(N[6a]C[6a,6a]H)2	H(N[6a]B[6a,6a]C[6a,6a])	N[6a](B[6a,6a]B[6a,6a]N[6a])(C[6a,6a]C[6a,6a]C[6a])(H){2|H<1>,2|N<3>,3|C<3>}	B[6a,6a](B[6a,6a]N[6a]2)(N[6a]C[6a,6a]H)2{2|H<1>,4|C<3>}	H(N[6a]B[6a,6a]C[6a,6a])	119.1442	0.062	6	119.1442	0.004	6	119.1442	0.004	6	120.4124	7.038	8	120.4124	7.038	8	119.2486	5.242	177
217	927	951	0:SP2_SP-NON_SP2	N[6a]	B[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:B[6a,6a]-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a,6a]C[6a,6a]2)(H)	B[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)	H(N[6a]B[6a,6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a,6a]C[6a,6a]2)(H){1|H<1>,6|C<3>}	B[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H){2|H<1>,6|C<3>}	H(N[6a]B[6a,6a]C[6a,6a])	124.2170	3.263	2	124.2170	10.644	2	124.2170	10.644	2	120.4124	7.038	8	120.4124	7.038	8	119.2486	5.242	177
217	927	951	0:SP2_SP-NON_SP2	N[6a]	B[6a]	H	3:2:1:	3:3:2:	3:	B[6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:N[6a]-3:O-2:	N[6a]-3:	N[6a](B[6a]C[6a,6a]O)(N[6a]C[6a])(H)	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]H)(OH)	H(N[6a]B[6a]N[6a])	N[6a](B[6a]C[6a,6a]O)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]H)(OH){1|H<1>,3|C<3>}	H(N[6a]B[6a]N[6a])	117.1790	0.000	1	117.1790	0.000	1	117.1790	0.000	1	117.1790	0.000	1	119.1935	5.131	169	119.2486	5.242	177
217	927	951	0:SP2_SP-NON_SP2	N[6a]	B[6a]	H	3:3:1:	3:3:1:	3:	B[6a]-3:B[6a]-3:H-1:	N[6a]-3:N[6a]-3:Br-1:	N[6a]-3:	N[6a](B[6a]N[6a]Br)2(H)	B[6a](N[6a]B[6a]H)2(Br)	H(N[6a]B[6a]2)	N[6a](B[6a]N[6a]Br)2(H){1|B<3>,2|H<1>}	B[6a](N[6a]B[6a]H)2(Br){2|Br<1>,1|N<3>}	H(N[6a]B[6a]2)	119.6027	5.215	3	119.6027	27.196	3	119.6027	27.196	3	120.1128	7.774	13	119.1935	5.131	169	119.2486	5.242	177
217	927	951	0:SP2_SP-NON_SP2	N[6a]	B[6a]	H	3:3:1:	3:3:1:	3:	B[6a]-3:B[6a]-3:H-1:	N[6a]-3:N[6a]-3:Cl-1:	N[6a]-3:	N[6a](B[6a]N[6a]Cl)(B[6a]N[6a]N)(H)	B[6a](N[6a]B[6a]H)2(Cl)	H(N[6a]B[6a]2)	N[6a](B[6a]N[6a]Cl)(B[6a]N[6a]N)(H){1|B<3>,2|H<1>}	B[6a](N[6a]B[6a]H)2(Cl){1|Cl<1>,2|N<3>}	H(N[6a]B[6a]2)	118.5938	0.136	4	118.5938	0.019	4	119.4161	0.781	8	120.1128	7.774	13	119.1935	5.131	169	119.2486	5.242	177
217	927	951	0:SP2_SP-NON_SP2	N[6a]	B[6a]	H	3:3:1:	3:3:1:	3:	B[6a]-3:B[6a]-3:H-1:	N[6a]-3:N[6a]-3:Cl-1:	N[6a]-3:	N[6a](B[6a]N[6a]Cl)2(H)	B[6a](N[6a]B[6a]H)2(Cl)	H(N[6a]B[6a]2)	N[6a](B[6a]N[6a]Cl)2(H){1|B<3>,2|H<1>}	B[6a](N[6a]B[6a]H)2(Cl){1|Cl<1>,2|N<3>}	H(N[6a]B[6a]2)	120.2385	0.029	4	120.2385	0.001	4	119.4161	0.781	8	120.1128	7.774	13	119.1935	5.131	169	119.2486	5.242	177
217	927	951	0:SP2_SP-NON_SP2	N[6a]	B[6a]	H	3:3:1:	3:3:1:	3:	C[6a,6a]-3:B[6a]-3:H-1:	N[6a]-3:N[6a]-3:Cl-1:	N[6a]-3:	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]Cl)(H)	B[6a](N[6a]C[6a,6a]H)2(Cl)	H(N[6a]C[6a,6a]B[6a])	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]Cl)(H){2|H<1>,3|C<3>}	B[6a](N[6a]C[6a,6a]H)2(Cl){3|C<3>}	H(N[6a]C[6a,6a]B[6a])	123.6645	1.879	2	123.6645	3.530	2	123.6645	3.530	2	120.1128	7.774	13	119.1935	5.131	169	119.2486	5.242	177
217	927	951	0:SP2_SP-NON_SP2	N[6a]	B[6a]	H	3:3:1:	3:3:2:	3:	B[6a]-3:B[6a]-3:H-1:	N[6a]-3:N[6a]-3:C-2:	N[6a]-3:	N[6a](B[6a]N[6a]C)2(H)	B[6a](N[6a]B[6a]H)2(CC)	H(N[6a]B[6a]2)	N[6a](B[6a]N[6a]C)2(H){1|B<3>,2|H<1>}	B[6a](N[6a]B[6a]H)2(CC){1|N<3>,2|C<2>}	H(N[6a]B[6a]2)	118.7162	0.113	6	118.7162	0.013	6	118.7162	0.013	6	118.9223	1.345	27	119.1935	5.131	169	119.2486	5.242	177
217	927	951	0:SP2_SP-NON_SP2	N[6a]	B[6a]	H	3:3:1:	3:3:2:	3:	B[6a]-3:B[6a]-3:H-1:	N[6a]-3:N[6a]-3:N-2:	N[6a]-3:	N[6a](B[6a]N[6a]N)2(H)	B[6a](N[6a]B[6a]H)2(NN)	H(N[6a]B[6a]2)	N[6a](B[6a]N[6a]N)2(H){1|B<3>,2|H<1>}	B[6a](N[6a]B[6a]H)2(NN){1|N<3>,2|N<2>}	H(N[6a]B[6a]2)	119.0955	0.258	11	119.0955	0.066	11	119.0955	0.066	11	118.9223	1.345	27	119.1935	5.131	169	119.2486	5.242	177
217	927	951	0:SP2_SP-NON_SP2	N[6a]	B[6a]	H	3:3:1:	3:3:2:	3:	B[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:C-2:	N[6a]-3:	N[6a](B[6a]C[6a]C)(C[6a]C[6a]H)(H)	B[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CC)	H(N[6a]B[6a]C[6a])	N[6a](B[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	B[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	H(N[6a]B[6a]C[6a])	119.5577	2.704	3	119.5577	7.312	3	119.5577	7.312	3	118.9223	1.345	27	119.1935	5.131	169	119.2486	5.242	177
217	927	951	0:SP2_SP-NON_SP2	N[6a]	B[6a]	H	3:3:1:	3:3:2:	3:	B[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-2:	N[6a]-3:	N[6a](B[6a]C[6a]O)(C[6a]C[6a]H)(H)	B[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(OC)	H(N[6a]B[6a]C[6a])	N[6a](B[6a]C[6a]O)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	B[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	H(N[6a]B[6a]C[6a])	120.1830	0.000	1	120.1830	0.000	1	120.1830	0.000	1	118.9223	1.345	27	119.1935	5.131	169	119.2486	5.242	177
217	927	951	0:SP2_SP-NON_SP2	N[6a]	B[6a]	H	3:3:1:	3:3:2:	3:	C[6a,6a]-3:B[6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:O-2:	N[6a]-3:	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]C[6a,6a]O)(H)	B[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a,6a]H)(OH)	H(N[6a]C[6a,6a]B[6a])	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]C[6a,6a]O)(H){1|O<2>,4|C<3>}	B[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a,6a]H)(OH){1|O<2>,4|C<3>}	H(N[6a]C[6a,6a]B[6a])	118.4970	0.000	1	118.4970	0.000	1	120.0255	4.673	2	118.9223	1.345	27	119.1935	5.131	169	119.2486	5.242	177
217	927	951	0:SP2_SP-NON_SP2	N[6a]	B[6a]	H	3:3:1:	3:3:2:	3:	C[6a,6a]-3:B[6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:O-2:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]O)(H)	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]H)(OSi)	H(N[6a]C[6a,6a]B[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]O)(H){1|H<1>,4|C<3>}	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]H)(OSi){1|H<1>,4|C<3>}	H(N[6a]C[6a,6a]B[6a])	121.5540	0.000	1	121.5540	0.000	1	120.0255	4.673	2	118.9223	1.345	27	119.1935	5.131	169	119.2486	5.242	177
217	927	951	0:SP2_SP-NON_SP2	N[6a]	B[6a]	H	3:3:1:	3:3:2:	3:	C[6a,6a]-3:B[6a]-3:H-1:	N[6a]-3:C[6a]-3:O-2:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]O)(H)	B[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(OB[6a])	H(N[6a]C[6a,6a]B[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]O)(H){1|H<1>,4|C<3>}	B[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(OB[6a]){1|H<1>,2|C<3>}	H(N[6a]C[6a,6a]B[6a])	117.4115	0.024	4	117.4115	0.001	4	117.4115	0.001	4	118.9223	1.345	27	119.1935	5.131	169	119.2486	5.242	177
217	927	951	0:SP2_SP-NON_SP2	N[6a]	B[6a]	H	3:3:1:	3:3:3:	3:	B[6a]-3:B[6a]-3:H-1:	N[6a]-3:N[6a]-3:C-3:	N[6a]-3:	N[6a](B[6a]N[6a]C)2(H)	B[6a](N[6a]B[6a]H)2(CCH)	H(N[6a]B[6a]2)	N[6a](B[6a]N[6a]C)2(H){1|B<3>,2|H<1>}	B[6a](N[6a]B[6a]H)2(CCH){1|N<3>,2|C<3>}	H(N[6a]B[6a]2)	118.3045	0.226	6	118.3045	0.051	6	118.3045	0.051	6	118.8186	3.579	91	119.1935	5.131	169	119.2486	5.242	177
217	927	951	0:SP2_SP-NON_SP2	N[6a]	B[6a]	H	3:3:1:	3:3:3:	3:	B[6a]-3:B[6a]-3:H-1:	N[6a]-3:N[6a]-3:N-3:	N[6a]-3:	N[6a](B[6a]N[6a]Cl)(B[6a]N[6a]N)(H)	B[6a](N[6a]B[6a]H)2(NCC)	H(N[6a]B[6a]2)	N[6a](B[6a]N[6a]Cl)(B[6a]N[6a]N)(H){1|B<3>,2|H<1>}	B[6a](N[6a]B[6a]H)2(NCC){2|Cl<1>,1|N<3>}	H(N[6a]B[6a]2)	118.5935	0.155	4	118.5935	0.024	4	118.3664	0.070	10	118.8186	3.579	91	119.1935	5.131	169	119.2486	5.242	177
217	927	951	0:SP2_SP-NON_SP2	N[6a]	B[6a]	H	3:3:1:	3:3:3:	3:	B[6a]-3:B[6a]-3:H-1:	N[6a]-3:N[6a]-3:N-3:	N[6a]-3:	N[6a](B[6a]N[6a]N)2(H)	B[6a](N[6a]B[6a]H)2(NCC)	H(N[6a]B[6a]2)	N[6a](B[6a]N[6a]N)2(H){1|B<3>,2|H<1>}	B[6a](N[6a]B[6a]H)2(NCC){3|N<3>}	H(N[6a]B[6a]2)	118.1240	0.023	2	118.1240	0.001	2	118.3664	0.070	10	118.8186	3.579	91	119.1935	5.131	169	119.2486	5.242	177
217	927	951	0:SP2_SP-NON_SP2	N[6a]	B[6a]	H	3:3:1:	3:3:3:	3:	B[6a]-3:B[6a]-3:H-1:	N[6a]-3:N[6a]-3:N-3:	N[6a]-3:	N[6a](B[6a]N[6a]N)2(H)	B[6a](N[6a]B[6a]H)2(NSiH)	H(N[6a]B[6a]2)	N[6a](B[6a]N[6a]N)2(H){1|B<3>,2|H<1>}	B[6a](N[6a]B[6a]H)2(NSiH){3|N<3>}	H(N[6a]B[6a]2)	118.2605	0.249	4	118.2605	0.062	4	118.3664	0.070	10	118.8186	3.579	91	119.1935	5.131	169	119.2486	5.242	177
217	927	951	0:SP2_SP-NON_SP2	N[6a]	B[6a]	H	3:3:1:	3:3:3:	3:	B[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](B[6a]C[6a]2)(C[6a]C[6a]2)(H)	B[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]H)	H(N[6a]B[6a]C[6a])	N[6a](B[6a]C[6a]2)(C[6a]C[6a]2)(H){1|H<1>,6|C<3>}	B[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]H){1|H<1>,1|N<3>,2|C<4>,5|C<3>}	H(N[6a]B[6a]C[6a])	117.0485	0.025	2	117.0485	0.001	2	117.0485	0.001	2	118.8186	3.579	91	119.1935	5.131	169	119.2486	5.242	177
217	927	951	0:SP2_SP-NON_SP2	N[6a]	B[6a]	H	3:3:1:	3:3:3:	3:	B[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](B[6a]C[6a]N[6a])(C[6a]N[6a]O)(H)	B[6a](C[6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a]H)	H(N[6a]B[6a]C[6a])	N[6a](B[6a]C[6a]N[6a])(C[6a]N[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	B[6a](C[6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,2|O<1>}	H(N[6a]B[6a]C[6a])	117.7850	0.213	3	117.7850	0.045	3	117.7850	0.045	3	118.8186	3.579	91	119.1935	5.131	169	119.2486	5.242	177
217	927	951	0:SP2_SP-NON_SP2	N[6a]	B[6a]	H	3:3:1:	3:3:3:	3:	B[6a]-3:C[6a]-3:H-1:	N[6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](B[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(H)	B[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]H)	H(N[6a]B[6a]C[6a])	N[6a](B[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(H){1|H<1>,4|C<3>}	B[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]H){1|Si<4>,1|H<1>,1|O<1>,4|C<3>}	H(N[6a]B[6a]C[6a])	117.3760	0.000	1	117.3760	0.000	1	117.3760	0.000	1	118.8186	3.579	91	119.1935	5.131	169	119.2486	5.242	177
217	927	951	0:SP2_SP-NON_SP2	N[6a]	B[6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:B[6a]-3:H-1:	C[5]-3:N[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C[5])(H)	B[6a](C[5]C[5,5,6]C[5])(N[6a]C[6a,6a]H)2	H(N[6a]C[6a,6a]B[6a])	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C[5])(H){1|C<4>,2|H<1>,4|C<3>}	B[6a](C[5]C[5,5,6]C[5])(N[6a]C[6a,6a]H)2{1|H<1>,2|C<4>,5|C<3>}	H(N[6a]C[6a,6a]B[6a])	118.5205	0.270	4	118.5205	0.073	4	118.5205	0.073	4	118.8186	3.579	91	119.1935	5.131	169	119.2486	5.242	177
217	927	951	0:SP2_SP-NON_SP2	N[6a]	B[6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:B[6a]-3:H-1:	C[5a,6a]-3:N[6a]-3:C[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[5a,6a]C[6a])(H)	B[6a](C[5a,6a]C[5a,5a]C[5a,6a])(N[6a]C[6a,6a]H)(C[6a]C[6a]2)	H(N[6a]C[6a,6a]B[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[5a,6a]C[6a])(H){1|H<1>,6|C<3>}	B[6a](C[5a,6a]C[5a,5a]C[5a,6a])(N[6a]C[6a,6a]H)(C[6a]C[6a]2){2|H<1>,2|S<2>,5|C<3>}	H(N[6a]C[6a,6a]B[6a])	116.9240	0.000	1	116.9240	0.000	1	116.9945	0.053	4	118.8186	3.579	91	119.1935	5.131	169	119.2486	5.242	177
217	927	951	0:SP2_SP-NON_SP2	N[6a]	B[6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:B[6a]-3:H-1:	C[5a,6a]-3:N[6a]-3:C[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[5a,6a]C[6a])(H)	B[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6a]2)	H(N[6a]C[6a,6a]B[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[5a,6a]C[6a])(H){1|H<1>,6|C<3>}	B[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6a]2){1|B<3>,1|S<2>,2|H<1>,5|C<3>}	H(N[6a]C[6a,6a]B[6a])	116.8705	0.144	2	117.0180	0.076	3	116.9945	0.053	4	118.8186	3.579	91	119.1935	5.131	169	119.2486	5.242	177
217	927	951	0:SP2_SP-NON_SP2	N[6a]	B[6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:B[6a]-3:H-1:	C[5a,6a]-3:N[6a]-3:C[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[5a,6a]C[6a])(H)	B[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6a]2)	H(N[6a]C[6a,6a]B[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[5a,6a]C[6a])(H){1|H<1>,6|C<3>}	B[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6a]2){1|S<2>,2|H<1>,6|C<3>}	H(N[6a]C[6a,6a]B[6a])	117.3130	0.000	1	117.0180	0.076	3	116.9945	0.053	4	118.8186	3.579	91	119.1935	5.131	169	119.2486	5.242	177
217	927	951	0:SP2_SP-NON_SP2	N[6a]	B[6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:B[6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]C[6a,6a]C[6a])(H)	B[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a,6a]H)(C[6a]C[6a]2)	H(N[6a]C[6a,6a]B[6a])	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]C[6a,6a]C[6a])(H){1|O<2>,6|C<3>}	B[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a,6a]H)(C[6a]C[6a]2){1|O<2>,2|H<1>,6|C<3>}	H(N[6a]C[6a,6a]B[6a])	117.3163	0.384	12	117.3163	0.148	12	117.3048	2.010	17	118.8186	3.579	91	119.1935	5.131	169	119.2486	5.242	177
217	927	951	0:SP2_SP-NON_SP2	N[6a]	B[6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:B[6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]C[6a])(H)	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]H)(C[6a]C[6a]2)	H(N[6a]C[6a,6a]B[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]C[6a])(H){1|H<1>,6|C<3>}	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]H)(C[6a]C[6a]2){3|H<1>,6|C<3>}	H(N[6a]C[6a,6a]B[6a])	117.2770	2.763	5	117.2770	7.632	5	117.3048	2.010	17	118.8186	3.579	91	119.1935	5.131	169	119.2486	5.242	177
217	927	951	0:SP2_SP-NON_SP2	N[6a]	B[6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:B[6a]-3:H-1:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]2)(H)	B[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]H)	H(N[6a]C[6a,6a]B[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]2)(H){1|B<3>,1|H<1>,5|C<3>}	B[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,4|C<3>}	H(N[6a]C[6a,6a]B[6a])	117.8060	0.000	1	117.9191	0.851	8	118.1740	1.329	9	118.8186	3.579	91	119.1935	5.131	169	119.2486	5.242	177
217	927	951	0:SP2_SP-NON_SP2	N[6a]	B[6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:B[6a]-3:H-1:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]2)(H)	B[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]H)	H(N[6a]C[6a,6a]B[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]2)(H){1|H<1>,6|C<3>}	B[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,4|C<3>}	H(N[6a]C[6a,6a]B[6a])	118.2440	0.000	1	117.9191	0.851	8	118.1740	1.329	9	118.8186	3.579	91	119.1935	5.131	169	119.2486	5.242	177
217	927	951	0:SP2_SP-NON_SP2	N[6a]	B[6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:B[6a]-3:H-1:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]2)(H)	B[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]H)	H(N[6a]C[6a,6a]B[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]2)(H){2|H<1>,5|C<3>}	B[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,2|C<4>,4|C<3>}	H(N[6a]C[6a,6a]B[6a])	120.0530	0.000	1	117.9191	0.851	8	118.1740	1.329	9	118.8186	3.579	91	119.1935	5.131	169	119.2486	5.242	177
217	927	951	0:SP2_SP-NON_SP2	N[6a]	B[6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:B[6a]-3:H-1:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]2)(H)	B[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]H)	H(N[6a]C[6a,6a]B[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]2)(H){2|H<1>,5|C<3>}	B[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,4|C<3>}	H(N[6a]C[6a,6a]B[6a])	117.4500	0.214	5	117.9191	0.851	8	118.1740	1.329	9	118.8186	3.579	91	119.1935	5.131	169	119.2486	5.242	177
217	927	951	0:SP2_SP-NON_SP2	N[6a]	B[6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:B[6a]-3:H-1:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]2)(H)	B[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)2	H(N[6a]C[6a,6a]B[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]2)(H){1|H<1>,6|C<3>}	B[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)2{1|Cl<1>,2|H<1>,6|C<3>}	H(N[6a]C[6a,6a]B[6a])	120.2130	0.000	1	120.2130	0.000	1	118.1740	1.329	9	118.8186	3.579	91	119.1935	5.131	169	119.2486	5.242	177
217	927	951	0:SP2_SP-NON_SP2	N[6a]	B[6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:B[6a]-3:H-1:	N[6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]N[6a])(H)	B[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]H)	H(N[6a]C[6a,6a]B[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]N[6a])(H){2|H<1>,5|C<3>}	B[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]H){1|Si<4>,1|H<1>,1|O<1>,4|C<3>}	H(N[6a]C[6a,6a]B[6a])	118.5190	0.000	1	118.5190	0.000	1	118.5190	0.000	1	118.8186	3.579	91	119.1935	5.131	169	119.2486	5.242	177
217	927	951	0:SP2_SP-NON_SP2	N[6a]	B[6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:B[6a]-3:H-1:	N[6a]-3:N[6a]-3:B[5]-3:	N[6a]-3:	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]B[5])(H)	B[6a](N[6a]C[6a,6a]H)2(B[5]O[5]2)	H(N[6a]C[6a,6a]B[6a])	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]B[5])(H){2|H<1>,2|O<2>,3|C<3>}	B[6a](N[6a]C[6a,6a]H)2(B[5]O[5]2){2|C<4>,3|C<3>}	H(N[6a]C[6a,6a]B[6a])	120.8515	1.730	2	120.8515	2.994	2	120.8515	2.994	2	118.8186	3.579	91	119.1935	5.131	169	119.2486	5.242	177
217	927	951	0:SP2_SP-NON_SP2	N[6a]	B[6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:B[6a]-3:H-1:	N[6a]-3:N[6a]-3:B[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]B[6a]N[6a])(H)	B[6a](N[6a]C[6a,6a]H)2(B[6a]N[6a]2)	H(N[6a]C[6a,6a]B[6a])	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]B[6a]N[6a])(H){2|H<1>,2|N<3>,3|C<3>}	B[6a](N[6a]C[6a,6a]H)2(B[6a]N[6a]2){2|H<1>,5|C<3>}	H(N[6a]C[6a,6a]B[6a])	118.0220	0.087	4	118.0220	0.008	4	118.0220	0.008	4	118.8186	3.579	91	119.1935	5.131	169	119.2486	5.242	177
217	927	951	0:SP2_SP-NON_SP2	N[6a]	B[6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:B[6a]-3:H-1:	N[6a]-3:N[6a]-3:C-3:	N[6a]-3:	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C)(H)	B[6a](N[6a]C[6a,6a]H)2(CB[5]C)	H(N[6a]C[6a,6a]B[6a])	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C)(H){2|H<1>,3|C<3>}	B[6a](N[6a]C[6a,6a]H)2(CB[5]C){3|C<3>}	H(N[6a]C[6a,6a]B[6a])	121.5240	0.632	2	121.5240	0.400	2	120.1921	2.526	14	118.8186	3.579	91	119.1935	5.131	169	119.2486	5.242	177
217	927	951	0:SP2_SP-NON_SP2	N[6a]	B[6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:B[6a]-3:H-1:	N[6a]-3:N[6a]-3:C-3:	N[6a]-3:	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C)(H)	B[6a](N[6a]C[6a,6a]H)2(CB[6a]C)	H(N[6a]C[6a,6a]B[6a])	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C)(H){2|H<1>,3|C<3>}	B[6a](N[6a]C[6a,6a]H)2(CB[6a]C){3|C<3>}	H(N[6a]C[6a,6a]B[6a])	120.7945	1.299	4	120.7945	1.688	4	120.1921	2.526	14	118.8186	3.579	91	119.1935	5.131	169	119.2486	5.242	177
217	927	951	0:SP2_SP-NON_SP2	N[6a]	B[6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:B[6a]-3:H-1:	N[6a]-3:N[6a]-3:C-3:	N[6a]-3:	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C)(H)	B[6a](N[6a]C[6a,6a]H)2(CCC)	H(N[6a]C[6a,6a]B[6a])	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C)(H){2|H<1>,3|C<3>}	B[6a](N[6a]C[6a,6a]H)2(CCC){3|C<3>}	H(N[6a]C[6a,6a]B[6a])	118.1915	0.247	2	118.1915	0.061	2	120.1921	2.526	14	118.8186	3.579	91	119.1935	5.131	169	119.2486	5.242	177
217	927	951	0:SP2_SP-NON_SP2	N[6a]	B[6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:B[6a]-3:H-1:	N[6a]-3:N[6a]-3:C-3:	N[6a]-3:	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C)(H)	B[6a](N[6a]C[6a,6a]H)2(CCH)	H(N[6a]C[6a,6a]B[6a])	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C)(H){2|H<1>,3|C<3>}	B[6a](N[6a]C[6a,6a]H)2(CCH){3|C<3>}	H(N[6a]C[6a,6a]B[6a])	120.2460	0.395	2	120.2460	0.156	2	120.1921	2.526	14	118.8186	3.579	91	119.1935	5.131	169	119.2486	5.242	177
217	927	951	0:SP2_SP-NON_SP2	N[6a]	B[6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:B[6a]-3:H-1:	N[6a]-3:N[6a]-3:C-3:	N[6a]-3:	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C)(H)	B[6a](N[6a]C[6a,6a]H)2(CC[6a]C)	H(N[6a]C[6a,6a]B[6a])	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C)(H){2|H<1>,3|C<3>}	B[6a](N[6a]C[6a,6a]H)2(CC[6a]C){3|C<3>}	H(N[6a]C[6a,6a]B[6a])	119.8970	2.144	4	119.8970	4.599	4	120.1921	2.526	14	118.8186	3.579	91	119.1935	5.131	169	119.2486	5.242	177
217	927	951	0:SP2_SP-NON_SP2	N[6a]	B[6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:B[6a]-3:H-1:	N[6a]-3:N[6a]-3:C[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]C[6a]N[6a])(H)	B[6a](N[6a]C[6a,6a]H)2(C[6a]C[6a]2)	H(N[6a]C[6a,6a]B[6a])	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]C[6a]N[6a])(H){2|H<1>,5|C<3>}	B[6a](N[6a]C[6a,6a]H)2(C[6a]C[6a]2){2|H<1>,5|C<3>}	H(N[6a]C[6a,6a]B[6a])	120.3930	1.747	6	120.3930	3.053	6	120.3930	3.053	6	118.8186	3.579	91	119.1935	5.131	169	119.2486	5.242	177
217	927	951	0:SP2_SP-NON_SP2	N[6a]	B[6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:B[6a]-3:H-1:	N[6a]-3:N[6a]-3:P-3:	N[6a]-3:	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]P)(H)	B[6a](N[6a]C[6a,6a]H)2(PB[6a]2)	H(N[6a]C[6a,6a]B[6a])	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]P)(H){2|H<1>,3|C<3>}	B[6a](N[6a]C[6a,6a]H)2(PB[6a]2){3|C<3>}	H(N[6a]C[6a,6a]B[6a])	122.8710	2.478	2	122.8710	6.139	2	122.1265	2.233	8	118.8186	3.579	91	119.1935	5.131	169	119.2486	5.242	177
217	927	951	0:SP2_SP-NON_SP2	N[6a]	B[6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:B[6a]-3:H-1:	N[6a]-3:N[6a]-3:P-3:	N[6a]-3:	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]P)(H)	B[6a](N[6a]C[6a,6a]H)2(PB[6a]C[6a])	H(N[6a]C[6a,6a]B[6a])	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]P)(H){2|H<1>,3|C<3>}	B[6a](N[6a]C[6a,6a]H)2(PB[6a]C[6a]){3|C<3>}	H(N[6a]C[6a,6a]B[6a])	121.9635	1.486	4	121.9635	2.209	4	122.1265	2.233	8	118.8186	3.579	91	119.1935	5.131	169	119.2486	5.242	177
217	927	951	0:SP2_SP-NON_SP2	N[6a]	B[6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:B[6a]-3:H-1:	N[6a]-3:N[6a]-3:P-3:	N[6a]-3:	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]P)(H)	B[6a](N[6a]C[6a,6a]H)2(PC[6a]2)	H(N[6a]C[6a,6a]B[6a])	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]P)(H){2|H<1>,3|C<3>}	B[6a](N[6a]C[6a,6a]H)2(PC[6a]2){3|C<3>}	H(N[6a]C[6a,6a]B[6a])	121.7080	1.140	2	121.7080	1.299	2	122.1265	2.233	8	118.8186	3.579	91	119.1935	5.131	169	119.2486	5.242	177
217	927	951	0:SP2_SP-NON_SP2	N[6a]	B[6a]	H	3:3:1:	3:3:4:	3:	C[6a,6a]-3:B[6a]-3:H-1:	N[6a]-3:N[6a]-3:C-4:	N[6a]-3:	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C)(H)	B[6a](N[6a]C[6a,6a]H)2(CB[5]CH)	H(N[6a]C[6a,6a]B[6a])	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C)(H){2|H<1>,3|C<3>}	B[6a](N[6a]C[6a,6a]H)2(CB[5]CH){3|C<3>}	H(N[6a]C[6a,6a]B[6a])	120.0439	2.665	16	120.0439	7.101	16	120.3522	13.099	24	120.5337	10.897	30	119.1935	5.131	169	119.2486	5.242	177
217	927	951	0:SP2_SP-NON_SP2	N[6a]	B[6a]	H	3:3:1:	3:3:4:	3:	C[6a,6a]-3:B[6a]-3:H-1:	N[6a]-3:N[6a]-3:C-4:	N[6a]-3:	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C)(H)	B[6a](N[6a]C[6a,6a]H)2(CCHH)	H(N[6a]C[6a,6a]B[6a])	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C)(H){2|H<1>,3|C<3>}	B[6a](N[6a]C[6a,6a]H)2(CCHH){3|C<3>}	H(N[6a]C[6a,6a]B[6a])	121.8845	5.831	6	121.8845	34.005	6	120.3522	13.099	24	120.5337	10.897	30	119.1935	5.131	169	119.2486	5.242	177
217	927	951	0:SP2_SP-NON_SP2	N[6a]	B[6a]	H	3:3:1:	3:3:4:	3:	C[6a,6a]-3:B[6a]-3:H-1:	N[6a]-3:N[6a]-3:C-4:	N[6a]-3:	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C)(H)	B[6a](N[6a]C[6a,6a]H)2(CN[6]CH)	H(N[6a]C[6a,6a]B[6a])	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C)(H){2|H<1>,3|C<3>}	B[6a](N[6a]C[6a,6a]H)2(CN[6]CH){3|C<3>}	H(N[6a]C[6a,6a]B[6a])	118.2220	0.201	2	118.2220	0.040	2	120.3522	13.099	24	120.5337	10.897	30	119.1935	5.131	169	119.2486	5.242	177
217	927	951	0:SP2_SP-NON_SP2	N[6a]	B[6a]	H	3:3:1:	3:3:4:	3:	C[6a,6a]-3:B[6a]-3:H-1:	N[6a]-3:N[6a]-3:C[5]-4:	N[6a]-3:	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C[5])(H)	B[6a](N[6a]C[6a,6a]H)2(C[5]C[5]2H)	H(N[6a]C[6a,6a]B[6a])	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C[5])(H){2|C<4>,3|C<3>,3|H<1>}	B[6a](N[6a]C[6a,6a]H)2(C[5]C[5]2H){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	H(N[6a]C[6a,6a]B[6a])	121.5560	2.899	2	121.5560	8.405	2	121.5560	8.405	2	120.5337	10.897	30	119.1935	5.131	169	119.2486	5.242	177
217	927	951	0:SP2_SP-NON_SP2	N[6a]	B[6a]	H	3:3:1:	3:3:4:	3:	C[6a,6a]-3:B[6a]-3:H-1:	N[6a]-3:N[6a]-3:P-4:	N[6a]-3:	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]P)(H)	B[6a](N[6a]C[6a,6a]H)2(PC[6a]2Mo)	H(N[6a]C[6a,6a]B[6a])	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]P)(H){2|H<1>,3|C<3>}	B[6a](N[6a]C[6a,6a]H)2(PC[6a]2Mo){3|C<3>}	H(N[6a]C[6a,6a]B[6a])	121.1115	0.841	4	121.1115	0.708	4	121.1115	0.708	4	120.5337	10.897	30	119.1935	5.131	169	119.2486	5.242	177
217	927	951	0:SP2_SP-NON_SP2	N[6a]	B[6a]	H	3:3:1:	3:4:3:	3:	C[6a,6a]-3:B[6a]-3:H-1:	N[6a]-3:C[6]-4:C[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]C[6])(H)	B[6a](N[6a]C[6a,6a]H)(C[6]C[6]2Cr)(C[6a]C[6a]H)	H(N[6a]C[6a,6a]B[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]C[6])(H){1|Cr<9>,2|C<4>,2|H<1>,3|C<3>}	B[6a](N[6a]C[6a,6a]H)(C[6]C[6]2Cr)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	H(N[6a]C[6a,6a]B[6a])	117.9150	0.000	1	117.9150	0.000	1	117.9150	0.000	1	117.9150	0.000	1	119.1935	5.131	169	119.2486	5.242	177
217	927	951	0:SP2_SP-NON_SP2	N[6a]	B[6a]	H	3:3:1:	4:3:3:	3:	B[6a]-3:B[6a]-3:H-1:	C[5]-4:N[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](B[6a]N[6a]C[5])2(H)	B[6a](C[5]C[5]2Fe)(N[6a]B[6a]H)2	H(N[6a]B[6a]2)	N[6a](B[6a]N[6a]C[5])2(H){2|Fe<10>,1|B<3>,2|H<1>,4|C<4>}	B[6a](C[5]C[5]2Fe)(N[6a]B[6a]H)2{1|N<3>,2|H<1>,4|C<4>}	H(N[6a]B[6a]2)	117.8960	0.485	3	117.8960	0.235	3	117.8960	0.235	3	117.9550	0.221	6	119.1935	5.131	169	119.2486	5.242	177
217	927	951	0:SP2_SP-NON_SP2	N[6a]	B[6a]	H	3:3:1:	4:3:3:	3:	B[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](B[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	B[6a](C[6]C[6]2Cr)(C[6a]C[6a]H)(N[6a]C[6a]H)	H(N[6a]B[6a]C[6a])	N[6a](B[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cr<9>,1|C<3>,2|C<4>,2|H<1>}	B[6a](C[6]C[6]2Cr)(C[6a]C[6a]H)(N[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	H(N[6a]B[6a]C[6a])	118.6410	0.000	1	118.6410	0.000	1	118.6410	0.000	1	117.9550	0.221	6	119.1935	5.131	169	119.2486	5.242	177
217	927	951	0:SP2_SP-NON_SP2	N[6a]	B[6a]	H	3:3:1:	4:3:3:	3:	C[6a,6a]-3:B[6a]-3:H-1:	C[6]-4:N[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C[6])(H)	B[6a](C[6]C[6,6]B[5]C[6])(N[6a]C[6a,6a]H)2	H(N[6a]C[6a,6a]B[6a])	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C[6])(H){1|B<3>,2|C<4>,2|H<1>,3|C<3>}	B[6a](C[6]C[6,6]B[5]C[6])(N[6a]C[6a,6a]H)2{2|O<2>,3|C<3>,3|C<4>,3|H<1>}	H(N[6a]C[6a,6a]B[6a])	117.7005	0.153	2	117.7005	0.024	2	117.7005	0.024	2	117.9550	0.221	6	119.1935	5.131	169	119.2486	5.242	177
217	933	951	0:SP2_SP-NON_SP2	N[6a]	O[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:O[6a]-2:H-1:	B[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a]C[6a,6a]O)(O[6a]B[6a])(H)	O[6a](B[6a]C[6a,6a]O)(N[6a]C[6a]H)	H(N[6a]C[6a]O[6a])	N[6a](C[6a]C[6a,6a]O)(O[6a]B[6a])(H){1|O<2>,2|C<3>}	O[6a](B[6a]C[6a,6a]O)(N[6a]C[6a]H){1|O<1>,2|C<3>}	H(N[6a]C[6a]O[6a])	112.5470	0.000	1	112.5470	0.000	1	112.5470	0.000	1	112.5470	0.000	1	112.5470	0.000	1	112.5470	0.000	1
218	542	542	6:SPD6_SP2_SP2	Ge[3x6]	N[5,6,6]	N[5,6,6]	3:3:3:2:2:2:	6:3:3:	6:3:3:	N[5,6,6]-3:N[5,6,6]-3:N[5,6,6]-3:N-2:N-2:N-2:	Ge[3x6]-6:N[5,6,6]-3:C[5]-3:	Ge[3x6]-6:N[5,6,6]-3:C[5]-3:	Ge[3x6](N[5,6,6]N[5,6,6]C[5])3(NN)3	N[5,6,6](Ge[3x6]N[5,6,6]2N3)(N[5,6,6]B[3x6]C[5])(C[5]C[5]C)	N[5,6,6](Ge[3x6]N[5,6,6]2N3)(N[5,6,6]B[3x6]C[5])(C[5]C[5]C)	Ge[3x6](N[5,6,6]N[5,6,6]C[5])3(NN)3{1|B<4>,3|C<4>,6|C<3>}	N[5,6,6](Ge[3x6]N[5,6,6]2N3)(N[5,6,6]B[3x6]C[5])(C[5]C[5]C){1|C<4>,2|C<3>,2|H<1>,2|N<3>}	N[5,6,6](Ge[3x6]N[5,6,6]2N3)(N[5,6,6]B[3x6]C[5])(C[5]C[5]C){1|C<4>,2|C<3>,2|H<1>,2|N<3>}	87.0918	1.136	3	87.0918	1.289	3	87.0918	1.289	3	87.0918	1.289	3	87.0918	1.289	3	87.0918	1.289	3
218	542	941	0:SPD6_SP2_SP2	Ge[3x6]	N[5,6,6]	N	3:3:3:2:2:2:	6:3:3:	6:2:	N[5,6,6]-3:N[5,6,6]-3:N[5,6,6]-3:N-2:N-2:N-2:	Ge[3x6]-6:N[5,6,6]-3:C[5]-3:	Ge[3x6]-6:N-2:	Ge[3x6](N[5,6,6]N[5,6,6]C[5])3(NN)3	N[5,6,6](Ge[3x6]N[5,6,6]2N3)(N[5,6,6]B[3x6]C[5])(C[5]C[5]C)	N(Ge[3x6]N[5,6,6]3NN)(NN)	Ge[3x6](N[5,6,6]N[5,6,6]C[5])3(NN)3{1|B<4>,3|C<4>,6|C<3>}	N[5,6,6](Ge[3x6]N[5,6,6]2N3)(N[5,6,6]B[3x6]C[5])(C[5]C[5]C){1|C<4>,2|C<3>,2|H<1>,2|N<3>}	N(Ge[3x6]N[5,6,6]3NN)(NN)	119.7079	43.118	9	119.7079	1859.204	9	119.7079	1859.204	9	119.7079	1859.204	9	119.7079	1859.204	9	119.7079	1859.204	9
218	622	622	6:SPD6_SP3_SP3	Ge[6x6]	O[6,6]	O[6,6]	2:2:2:2:2:2:	6:4:	6:4:	O[6,6]-2:O[6,6]-2:O[6,6]-2:O[6,6]-2:O[6,6]-2:O[6,6]-2:	Ge[6x6]-6:C[3x6]-4:	Ge[6x6]-6:C[3x6]-4:	Ge[6x6](O[6,6]C[3x6])6	O[6,6](Ge[6x6]O[6,6]5)(C[3x6]C[6,6]2H)	O[6,6](Ge[6x6]O[6,6]5)(C[3x6]C[6,6]2H)	Ge[6x6](O[6,6]C[3x6])6{6|C<4>,6|H<1>}	O[6,6](Ge[6x6]O[6,6]5)(C[3x6]C[6,6]2H){2|H<1>,2|N<4>,5|C<4>}	O[6,6](Ge[6x6]O[6,6]5)(C[3x6]C[6,6]2H){2|H<1>,2|N<4>,5|C<4>}	96.9231	25.000	13	96.9231	625.024	13	96.9231	625.024	13	96.9231	625.024	13	96.9231	625.024	13	96.9231	625.024	13
218	790	790	0:SPD6_SP-NON_SP-NON	Ge[4x6]	Cl	Cl	3:3:3:3:1:1:	6:	6:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:Cl-1:Cl-1:	Ge[4x6]-6:	Ge[4x6]-6:	Ge[4x6](N[5a,6,6]C[5a,6]2)4(Cl)2	Cl(Ge[4x6]N[5a,6,6]4Cl)	Cl(Ge[4x6]N[5a,6,6]4Cl)	Ge[4x6](N[5a,6,6]C[5a,6]2)4(Cl)2{4|N<2>,8|C<3>}	Cl(Ge[4x6]N[5a,6,6]4Cl)	Cl(Ge[4x6]N[5a,6,6]4Cl)	180.0000	0.000	1	180.0000	0.000	1	180.0000	0.000	1	180.0000	0.000	1	180.0000	0.000	1	180.0000	0.000	1
218	790	813	0:SPD6_SP-NON_SP2	Ge[4x6]	Cl	N[5a,6,6]	3:3:3:3:1:1:	6:	6:3:3:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:Cl-1:Cl-1:	Ge[4x6]-6:	Ge[4x6]-6:C[5a,6]-3:C[5a,6]-3:	Ge[4x6](N[5a,6,6]C[5a,6]2)4(Cl)2	Cl(Ge[4x6]N[5a,6,6]4Cl)	N[5a,6,6](Ge[4x6]N[5a,6,6]3Cl2)(C[5a,6]C[5a,6a]N[6])2	Ge[4x6](N[5a,6,6]C[5a,6]2)4(Cl)2{4|N<2>,8|C<3>}	Cl(Ge[4x6]N[5a,6,6]4Cl)	N[5a,6,6](Ge[4x6]N[5a,6,6]3Cl2)(C[5a,6]C[5a,6a]N[6])2{8|C<3>}	90.0000	0.969	4	90.0000	0.940	4	90.0000	0.940	4	90.0000	0.940	4	90.0000	0.940	4	90.0000	0.940	4
218	813	813	6:SPD6_SP2_SP2	Ge[4x6]	N[5a,6,6]	N[5a,6,6]	3:3:3:3:1:1:	6:3:3:	6:3:3:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:Cl-1:Cl-1:	Ge[4x6]-6:C[5a,6]-3:C[5a,6]-3:	Ge[4x6]-6:C[5a,6]-3:C[5a,6]-3:	Ge[4x6](N[5a,6,6]C[5a,6]2)4(Cl)2	N[5a,6,6](Ge[4x6]N[5a,6,6]3Cl2)(C[5a,6]C[5a,6a]N[6])2	N[5a,6,6](Ge[4x6]N[5a,6,6]3Cl2)(C[5a,6]C[5a,6a]N[6])2	Ge[4x6](N[5a,6,6]C[5a,6]2)4(Cl)2{4|N<2>,8|C<3>}	N[5a,6,6](Ge[4x6]N[5a,6,6]3Cl2)(C[5a,6]C[5a,6a]N[6])2{8|C<3>}	N[5a,6,6](Ge[4x6]N[5a,6,6]3Cl2)(C[5a,6]C[5a,6a]N[6])2{8|C<3>}	120.0000	51.962	3	120.0000	2700.001	3	120.0000	2700.001	3	126.0000	2160.017	10	124.6154	2076.973	13	124.6154	2076.973	13
218	813	813	6:SPD6_SP2_SP2	Ge[4x6]	N[5a,6,6]	N[5a,6,6]	3:3:3:3:1:1:	6:3:3:	6:3:3:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:I-1:I-1:	Ge[4x6]-6:C[5a,6]-3:C[5a,6]-3:	Ge[4x6]-6:C[5a,6]-3:C[5a,6]-3:	Ge[4x6](N[5a,6,6]C[5a,6]2)4(I)2	N[5a,6,6](Ge[4x6]N[5a,6,6]3II)(C[5a,6]C[5a,6]N[6])2	N[5a,6,6](Ge[4x6]N[5a,6,6]3II)(C[5a,6]C[5a,6]N[6])2	Ge[4x6](N[5a,6,6]C[5a,6]2)4(I)2{4|N<2>,8|C<3>}	N[5a,6,6](Ge[4x6]N[5a,6,6]3II)(C[5a,6]C[5a,6]N[6])2{8|C<3>}	N[5a,6,6](Ge[4x6]N[5a,6,6]3II)(C[5a,6]C[5a,6]N[6])2{8|C<3>}	180.0000	0.000	1	180.0000	0.000	1	128.5714	2314.310	7	126.0000	2160.017	10	124.6154	2076.973	13	124.6154	2076.973	13
218	813	813	6:SPD6_SP2_SP2	Ge[4x6]	N[5a,6,6]	N[5a,6,6]	3:3:3:3:1:1:	6:3:3:	6:3:3:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:I-1:I-1:	Ge[4x6]-6:C[5a,6]-3:C[5a,6]-3:	Ge[4x6]-6:C[5a,6]-3:C[5a,6]-3:	Ge[4x6](N[5a,6,6]C[5a,6]2)4(I)2	N[5a,6,6](Ge[4x6]N[5a,6,6]3II)(C[5a,6]C[5a,6a]N[6])2	N[5a,6,6](Ge[4x6]N[5a,6,6]3II)(C[5a,6]C[5a,6]N[6])2	Ge[4x6](N[5a,6,6]C[5a,6]2)4(I)2{4|N<2>,8|C<3>}	N[5a,6,6](Ge[4x6]N[5a,6,6]3II)(C[5a,6]C[5a,6a]N[6])2{8|C<3>}	N[5a,6,6](Ge[4x6]N[5a,6,6]3II)(C[5a,6]C[5a,6]N[6])2{8|C<3>}	90.0000	0.111	2	90.0000	0.012	2	128.5714	2314.310	7	126.0000	2160.017	10	124.6154	2076.973	13	124.6154	2076.973	13
218	813	813	6:SPD6_SP2_SP2	Ge[4x6]	N[5a,6,6]	N[5a,6,6]	3:3:3:3:1:1:	6:3:3:	6:3:3:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:I-1:I-1:	Ge[4x6]-6:C[5a,6]-3:C[5a,6]-3:	Ge[4x6]-6:C[5a,6]-3:C[5a,6]-3:	Ge[4x6](N[5a,6,6]C[5a,6]2)4(I)2	N[5a,6,6](Ge[4x6]N[5a,6,6]3II)(C[5a,6]C[5a,6a]N[6])2	N[5a,6,6](Ge[4x6]N[5a,6,6]3II)(C[5a,6]C[5a,6a]N[6])2	Ge[4x6](N[5a,6,6]C[5a,6]2)4(I)2{4|N<2>,8|C<3>}	N[5a,6,6](Ge[4x6]N[5a,6,6]3II)(C[5a,6]C[5a,6a]N[6])2{8|C<3>}	N[5a,6,6](Ge[4x6]N[5a,6,6]3II)(C[5a,6]C[5a,6a]N[6])2{8|C<3>}	135.0000	51.962	4	135.0000	2700.045	4	128.5714	2314.310	7	126.0000	2160.017	10	124.6154	2076.973	13	124.6154	2076.973	13
218	813	813	6:SPD6_SP2_SP2	Ge[4x6]	N[5a,6,6]	N[5a,6,6]	3:3:3:3:3:3:	6:3:3:	6:3:3:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:N[6]-3:N[6]-3:	Ge[4x6]-6:C[5a,6]-3:C[5a,6]-3:	Ge[4x6]-6:C[5a,6]-3:C[5a,6]-3:	Ge[4x6](N[5a,6,6]C[5a,6]2)4(N[6]C[6]2)2	N[5a,6,6](Ge[4x6]N[5a,6,6]3N[6]2)(C[5a,6]C[5a,6a]N[6])2	N[5a,6,6](Ge[4x6]N[5a,6,6]3N[6]2)(C[5a,6]C[5a,6a]N[6])2	Ge[4x6](N[5a,6,6]C[5a,6]2)4(N[6]C[6]2)2{12|C<3>,4|H<1>,4|N<2>}	N[5a,6,6](Ge[4x6]N[5a,6,6]3N[6]2)(C[5a,6]C[5a,6a]N[6])2{12|C<3>}	N[5a,6,6](Ge[4x6]N[5a,6,6]3N[6]2)(C[5a,6]C[5a,6a]N[6])2{12|C<3>}	120.0000	51.964	3	120.0000	2700.225	3	120.0000	2700.225	3	120.0000	2700.225	3	124.6154	2076.973	13	124.6154	2076.973	13
218	813	856	0:SPD6_SP2_SP2	Ge[4x6]	N[5a,6,6]	N[6]	3:3:3:3:3:3:	6:3:3:	6:3:3:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:N[6]-3:N[6]-3:	Ge[4x6]-6:C[5a,6]-3:C[5a,6]-3:	Ge[4x6]-6:C[6]-3:C[6]-3:	Ge[4x6](N[5a,6,6]C[5a,6]2)4(N[6]C[6]2)2	N[5a,6,6](Ge[4x6]N[5a,6,6]3N[6]2)(C[5a,6]C[5a,6a]N[6])2	N[6](Ge[4x6]N[5a,6,6]4N[6])(C[6]C[6]H)2	Ge[4x6](N[5a,6,6]C[5a,6]2)4(N[6]C[6]2)2{12|C<3>,4|H<1>,4|N<2>}	N[5a,6,6](Ge[4x6]N[5a,6,6]3N[6]2)(C[5a,6]C[5a,6a]N[6])2{12|C<3>}	N[6](Ge[4x6]N[5a,6,6]4N[6])(C[6]C[6]H)2{11|C<3>,2|H<1>}	90.0000	1.279	4	90.0000	1.635	4	90.0000	1.635	4	90.0000	1.635	4	90.0000	1.635	4	90.0000	1.635	4
218	813	944	0:SPD6_SP-NON_SP2	Ge[4x6]	N[5a,6,6]	I	3:3:3:3:1:1:	6:3:3:	6:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:I-1:I-1:	Ge[4x6]-6:C[5a,6]-3:C[5a,6]-3:	Ge[4x6]-6:	Ge[4x6](N[5a,6,6]C[5a,6]2)4(I)2	N[5a,6,6](Ge[4x6]N[5a,6,6]3II)(C[5a,6]C[5a,6]N[6])2	I(Ge[4x6]N[5a,6,6]4I)	Ge[4x6](N[5a,6,6]C[5a,6]2)4(I)2{4|N<2>,8|C<3>}	N[5a,6,6](Ge[4x6]N[5a,6,6]3II)(C[5a,6]C[5a,6]N[6])2{8|C<3>}	I(Ge[4x6]N[5a,6,6]4I)	90.0000	0.778	2	90.0000	0.605	2	90.0000	1.142	8	90.0000	1.142	8	90.0000	1.142	8	90.0000	1.142	8
218	813	944	0:SPD6_SP-NON_SP2	Ge[4x6]	N[5a,6,6]	I	3:3:3:3:1:1:	6:3:3:	6:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:I-1:I-1:	Ge[4x6]-6:C[5a,6]-3:C[5a,6]-3:	Ge[4x6]-6:	Ge[4x6](N[5a,6,6]C[5a,6]2)4(I)2	N[5a,6,6](Ge[4x6]N[5a,6,6]3II)(C[5a,6]C[5a,6a]N[6])2	I(Ge[4x6]N[5a,6,6]4I)	Ge[4x6](N[5a,6,6]C[5a,6]2)4(I)2{4|N<2>,8|C<3>}	N[5a,6,6](Ge[4x6]N[5a,6,6]3II)(C[5a,6]C[5a,6a]N[6])2{8|C<3>}	I(Ge[4x6]N[5a,6,6]4I)	90.0000	1.216	6	90.0000	1.478	6	90.0000	1.142	8	90.0000	1.142	8	90.0000	1.142	8	90.0000	1.142	8
218	856	856	0:SPD6_SP2_SP2	Ge[4x6]	N[6]	N[6]	3:3:3:3:3:3:	6:3:3:	6:3:3:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:N[6]-3:N[6]-3:	Ge[4x6]-6:C[6]-3:C[6]-3:	Ge[4x6]-6:C[6]-3:C[6]-3:	Ge[4x6](N[5a,6,6]C[5a,6]2)4(N[6]C[6]2)2	N[6](Ge[4x6]N[5a,6,6]4N[6])(C[6]C[6]H)2	N[6](Ge[4x6]N[5a,6,6]4N[6])(C[6]C[6]H)2	Ge[4x6](N[5a,6,6]C[5a,6]2)4(N[6]C[6]2)2{12|C<3>,4|H<1>,4|N<2>}	N[6](Ge[4x6]N[5a,6,6]4N[6])(C[6]C[6]H)2{11|C<3>,2|H<1>}	N[6](Ge[4x6]N[5a,6,6]4N[6])(C[6]C[6]H)2{11|C<3>,2|H<1>}	180.0000	0.000	1	180.0000	0.000	1	180.0000	0.000	1	180.0000	0.000	1	180.0000	0.000	1	180.0000	0.000	1
218	941	941	0:SPD6_SP2_SP2	Ge[3x6]	N	N	3:3:3:2:2:2:	6:2:	6:2:	N[5,6,6]-3:N[5,6,6]-3:N[5,6,6]-3:N-2:N-2:N-2:	Ge[3x6]-6:N-2:	Ge[3x6]-6:N-2:	Ge[3x6](N[5,6,6]N[5,6,6]C[5])3(NN)3	N(Ge[3x6]N[5,6,6]3NN)(NN)	N(Ge[3x6]N[5,6,6]3NN)(NN)	Ge[3x6](N[5,6,6]N[5,6,6]C[5])3(NN)3{1|B<4>,3|C<4>,6|C<3>}	N(Ge[3x6]N[5,6,6]3NN)(NN)	N(Ge[3x6]N[5,6,6]3NN)(NN)	90.9121	1.120	3	90.9121	1.254	3	90.9121	1.254	3	90.9121	1.254	3	90.9121	1.254	3	90.9121	1.254	3
218	944	944	0:SPD6_SP-NON_SP-NON	Ge[4x6]	I	I	3:3:3:3:1:1:	6:	6:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:I-1:I-1:	Ge[4x6]-6:	Ge[4x6]-6:	Ge[4x6](N[5a,6,6]C[5a,6]2)4(I)2	I(Ge[4x6]N[5a,6,6]4I)	I(Ge[4x6]N[5a,6,6]4I)	Ge[4x6](N[5a,6,6]C[5a,6]2)4(I)2{4|N<2>,8|C<3>}	I(Ge[4x6]N[5a,6,6]4I)	I(Ge[4x6]N[5a,6,6]4I)	180.0000	0.000	2	180.0000	0.000	2	180.0000	0.000	2	180.0000	0.000	2	180.0000	0.000	2	180.0000	0.000	2
222	490	727	0:SPD5_SP2_SP3	As[5,5]	C	C[5,6a]	3:3:2:2:4:	5:3:1:1:	5:3:3:	C[5,6a]-3:C[5,6a]-3:O[5]-2:O[5]-2:C-4:	As[5,5]-5:C-3:H-1:H-1:	As[5,5]-5:C[5,6a]-3:C[6a]-3:	As[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2(CCHH)	C(As[5,5]C[5,6a]2O[5]2)(CC[6a]O)(H)2	C[5,6a](As[5,5]C[5,6a]O[5]2C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	As[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2(CCHH){2|H<1>,4|C<3>,4|C<4>}	C(As[5,5]C[5,6a]2O[5]2)(CC[6a]O)(H)2	C[5,6a](As[5,5]C[5,6a]O[5]2C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	115.9065	6.125	4	115.9065	37.521	4	115.9065	37.521	4	115.9065	37.521	4	114.9633	43.250	12	114.9633	43.250	12
222	490	727	0:SPD5_SP2_SP3	As[5,5]	C	C[5,6a]	3:3:2:2:4:	5:4:1:1:	5:3:3:	C[5,6a]-3:C[5,6a]-3:O[5]-2:O[5]-2:C-4:	As[5,5]-5:C-4:H-1:H-1:	As[5,5]-5:C[5,6a]-3:C[6a]-3:	As[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2(CCHH)	C(As[5,5]C[5,6a]2O[5]2)(CC[6a]2O)(H)2	C[5,6a](As[5,5]C[5,6a]O[5]2C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	As[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2(CCHH){2|H<1>,4|C<3>,4|C<4>}	C(As[5,5]C[5,6a]2O[5]2)(CC[6a]2O)(H)2	C[5,6a](As[5,5]C[5,6a]O[5]2C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	112.5765	8.765	2	112.5765	76.818	2	116.1245	43.139	4	116.1245	43.139	4	114.9633	43.250	12	114.9633	43.250	12
222	490	727	0:SPD5_SP2_SP3	As[5,5]	C	C[5,6a]	3:3:2:2:4:	5:4:1:1:	5:3:3:	C[5,6a]-3:C[5,6a]-3:O[5]-2:O[5]-2:C-4:	As[5,5]-5:C-4:H-1:H-1:	As[5,5]-5:C[5,6a]-3:C[6a]-3:	As[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2(CCHH)	C(As[5,5]C[5,6a]2O[5]2)(CHHO)(H)2	C[5,6a](As[5,5]C[5,6a]O[5]2C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	As[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2(CCHH){2|H<1>,4|C<3>,4|C<4>}	C(As[5,5]C[5,6a]2O[5]2)(CHHO)(H)2	C[5,6a](As[5,5]C[5,6a]O[5]2C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	119.6725	1.498	2	119.6725	2.245	2	116.1245	43.139	4	116.1245	43.139	4	114.9633	43.250	12	114.9633	43.250	12
222	490	727	0:SPD5_SP2_SP3	As[5,5]	C	C[5,6a]	3:3:2:2:4:	5:4:4:4:	5:3:3:	C[5,6a]-3:C[5,6a]-3:O[5]-2:O[5]-2:C-4:	As[5,5]-5:C-4:C-4:C-4:	As[5,5]-5:C[5,6a]-3:C[6a]-3:	As[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2(CC3)	C(As[5,5]C[5,6a]2O[5]2)(CH3)3	C[5,6a](As[5,5]C[5,6a]O[5]2C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	As[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2(CC3){2|H<1>,4|C<3>,4|C<4>}	C(As[5,5]C[5,6a]2O[5]2)(CH3)3	C[5,6a](As[5,5]C[5,6a]O[5]2C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	112.8588	8.309	4	112.8588	69.034	4	112.8588	69.034	4	112.8588	69.034	4	114.9633	43.250	12	114.9633	43.250	12
222	490	976	0:SPD5_SP3_SP3	As[5,5]	C	O[5]	3:3:2:2:4:	5:3:1:1:	5:4:	C[5,6a]-3:C[5,6a]-3:O[5]-2:O[5]-2:C-4:	As[5,5]-5:C-3:H-1:H-1:	As[5,5]-5:C[5]-4:	As[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2(CCHH)	C(As[5,5]C[5,6a]2O[5]2)(CC[6a]O)(H)2	O[5](As[5,5]C[5,6a]2O[5]C)(C[5]C[5,6a]CC)	As[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2(CCHH){2|H<1>,4|C<3>,4|C<4>}	C(As[5,5]C[5,6a]2O[5]2)(CC[6a]O)(H)2	O[5](As[5,5]C[5,6a]2O[5]C)(C[5]C[5,6a]CC){1|C<4>,4|C<3>}	93.0146	2.272	4	93.0146	5.164	4	93.0146	5.164	4	93.0146	5.164	4	95.7159	52.815	12	95.7159	52.815	12
222	490	976	0:SPD5_SP3_SP3	As[5,5]	C	O[5]	3:3:2:2:4:	5:4:1:1:	5:4:	C[5,6a]-3:C[5,6a]-3:O[5]-2:O[5]-2:C-4:	As[5,5]-5:C-4:H-1:H-1:	As[5,5]-5:C[5]-4:	As[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2(CCHH)	C(As[5,5]C[5,6a]2O[5]2)(CC[6a]2O)(H)2	O[5](As[5,5]C[5,6a]2O[5]C)(C[5]C[5,6a]CC)	As[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2(CCHH){2|H<1>,4|C<3>,4|C<4>}	C(As[5,5]C[5,6a]2O[5]2)(CC[6a]2O)(H)2	O[5](As[5,5]C[5,6a]2O[5]C)(C[5]C[5,6a]CC){1|C<4>,4|C<3>}	96.0677	0.106	2	96.0677	0.011	2	94.0054	6.117	4	94.0054	6.117	4	95.7159	52.815	12	95.7159	52.815	12
222	490	976	0:SPD5_SP3_SP3	As[5,5]	C	O[5]	3:3:2:2:4:	5:4:1:1:	5:4:	C[5,6a]-3:C[5,6a]-3:O[5]-2:O[5]-2:C-4:	As[5,5]-5:C-4:H-1:H-1:	As[5,5]-5:C[5]-4:	As[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2(CCHH)	C(As[5,5]C[5,6a]2O[5]2)(CHHO)(H)2	O[5](As[5,5]C[5,6a]2O[5]C)(C[5]C[5,6a]CC)	As[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2(CCHH){2|H<1>,4|C<3>,4|C<4>}	C(As[5,5]C[5,6a]2O[5]2)(CHHO)(H)2	O[5](As[5,5]C[5,6a]2O[5]C)(C[5]C[5,6a]CC){1|C<4>,4|C<3>}	91.9432	1.152	2	91.9432	1.327	2	94.0054	6.117	4	94.0054	6.117	4	95.7159	52.815	12	95.7159	52.815	12
222	490	976	0:SPD5_SP3_SP3	As[5,5]	C	O[5]	3:3:2:2:4:	5:4:4:4:	5:4:	C[5,6a]-3:C[5,6a]-3:O[5]-2:O[5]-2:C-4:	As[5,5]-5:C-4:C-4:C-4:	As[5,5]-5:C[5]-4:	As[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2(CC3)	C(As[5,5]C[5,6a]2O[5]2)(CH3)3	O[5](As[5,5]C[5,6a]2O[5]C)(C[5]C[5,6a]CC)	As[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2(CC3){2|H<1>,4|C<3>,4|C<4>}	C(As[5,5]C[5,6a]2O[5]2)(CH3)3	O[5](As[5,5]C[5,6a]2O[5]C)(C[5]C[5,6a]CC){1|C<4>,4|C<3>}	100.1277	11.950	4	100.1277	142.791	4	100.1277	142.791	4	100.1277	142.791	4	95.7159	52.815	12	95.7159	52.815	12
222	542	542	0:SPD5_SP3_SP3	As[5,5]	N[5]	N[5]	3:3:3:2:2:	5:4:1:	5:4:1:	C[6a]-3:N[5]-3:N[5]-3:O[5]-2:O[5]-2:	As[5,5]-5:C[5]-4:H-1:	As[5,5]-5:C[5]-4:H-1:	As[5,5](C[6a]C[6a]2)(N[5]C[5]H)2(O[5]C[5])2	N[5](As[5,5]C[6a]N[5]O[5]2)(C[5]C[5]CH)(H)	N[5](As[5,5]C[6a]N[5]O[5]2)(C[5]C[5]CH)(H)	As[5,5](C[6a]C[6a]2)(N[5]C[5]H)2(O[5]C[5])2{2|C<4>,4|C<3>,6|H<1>}	N[5](As[5,5]C[6a]N[5]O[5]2)(C[5]C[5]CH)(H){2|C<4>,2|H<1>,3|C<3>}	N[5](As[5,5]C[6a]N[5]O[5]2)(C[5]C[5]CH)(H){2|C<4>,2|H<1>,3|C<3>}	136.1760	0.000	1	136.1760	0.000	1	136.1760	0.000	1	136.1760	0.000	1	136.1760	0.000	1	136.1760	0.000	1
222	542	643	0:SPD5_SP2_SP3	As[5,5]	N[5]	C[6a]	3:3:3:2:2:	5:4:1:	5:3:3:	C[6a]-3:N[5]-3:N[5]-3:O[5]-2:O[5]-2:	As[5,5]-5:C[5]-4:H-1:	As[5,5]-5:C[6a]-3:C[6a]-3:	As[5,5](C[6a]C[6a]2)(N[5]C[5]H)2(O[5]C[5])2	N[5](As[5,5]C[6a]N[5]O[5]2)(C[5]C[5]CH)(H)	C[6a](As[5,5]N[5]2O[5]2)(C[6a]C[6a]H)2	As[5,5](C[6a]C[6a]2)(N[5]C[5]H)2(O[5]C[5])2{2|C<4>,4|C<3>,6|H<1>}	N[5](As[5,5]C[6a]N[5]O[5]2)(C[5]C[5]CH)(H){2|C<4>,2|H<1>,3|C<3>}	C[6a](As[5,5]N[5]2O[5]2)(C[6a]C[6a]H)2{1|C<3>,4|C<4>,4|H<1>}	111.9115	0.011	2	111.9115	0.000	2	111.9115	0.000	2	111.9115	0.000	2	111.9115	0.000	2	111.9115	0.000	2
222	542	976	0:SPD5_SP3_SP3	As[5,5]	N[5]	O[5]	3:3:3:2:2:	5:4:1:	5:4:	C[6a]-3:N[5]-3:N[5]-3:O[5]-2:O[5]-2:	As[5,5]-5:C[5]-4:H-1:	As[5,5]-5:C[5]-4:	As[5,5](C[6a]C[6a]2)(N[5]C[5]H)2(O[5]C[5])2	N[5](As[5,5]C[6a]N[5]O[5]2)(C[5]C[5]CH)(H)	O[5](As[5,5]C[6a]N[5]2O[5])(C[5]C[6a]C[5]H)	As[5,5](C[6a]C[6a]2)(N[5]C[5]H)2(O[5]C[5])2{2|C<4>,4|C<3>,6|H<1>}	N[5](As[5,5]C[6a]N[5]O[5]2)(C[5]C[5]CH)(H){2|C<4>,2|H<1>,3|C<3>}	O[5](As[5,5]C[6a]N[5]2O[5])(C[5]C[6a]C[5]H){3|C<4>,3|H<1>,4|C<3>}	88.2777	1.298	2	88.2777	1.685	2	88.2777	1.685	2	88.2777	1.685	2	88.2777	1.685	2	88.2777	1.685	2
222	542	976	5:SPD5_SP3_SP3	As[5,5]	N[5]	O[5]	3:3:3:2:2:	5:4:1:	5:4:	C[6a]-3:N[5]-3:N[5]-3:O[5]-2:O[5]-2:	As[5,5]-5:C[5]-4:H-1:	As[5,5]-5:C[5]-4:	As[5,5](C[6a]C[6a]2)(N[5]C[5]H)2(O[5]C[5])2	N[5](As[5,5]C[6a]N[5]O[5]2)(C[5]C[5]CH)(H)	O[5](As[5,5]C[6a]N[5]2O[5])(C[5]C[6a]C[5]H)	As[5,5](C[6a]C[6a]2)(N[5]C[5]H)2(O[5]C[5])2{2|C<4>,4|C<3>,6|H<1>}	N[5](As[5,5]C[6a]N[5]O[5]2)(C[5]C[5]CH)(H){2|C<4>,2|H<1>,3|C<3>}	O[5](As[5,5]C[6a]N[5]2O[5])(C[5]C[6a]C[5]H){3|C<4>,3|H<1>,4|C<3>}	87.3270	0.081	2	87.3270	0.007	2	87.3270	0.007	2	87.3270	0.007	2	87.3270	0.007	2	87.3270	0.007	2
222	643	643	0:SPD5_SP2_SP2	As[5]	C[6a]	C[6a]	3:3:3:3:2:	5:3:3:	5:3:3:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[6a]-3:O[5]-2:	As[5]-5:C[6a]-3:C[6a]-3:	As[5]-5:C[6a]-3:C[6a]-3:	As[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)3(O[5]C[5])	C[6a](As[5]C[5,6a]C[6a]2O[5])(C[6a]C[6a]H)2	C[6a](As[5]C[5,6a]C[6a]2O[5])(C[6a]C[6a]H)2	As[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)3(O[5]C[5]){1|C<4>,7|H<1>,9|C<3>}	C[6a](As[5]C[5,6a]C[6a]2O[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,7|C<3>}	C[6a](As[5]C[5,6a]C[6a]2O[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,7|C<3>}	102.7815	11.980	3	102.7815	143.521	3	102.7815	143.521	3	102.7815	143.521	3	102.7815	143.521	3	102.7815	143.521	3
222	643	727	0:SPD5_SP2_SP2	As[5]	C[6a]	C[5,6a]	3:3:3:3:2:	5:3:3:	3:5:3:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[6a]-3:O[5]-2:	As[5]-5:C[6a]-3:C[6a]-3:	C[5,6a]-3:As[5]-5:C[6a]-3:	As[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)3(O[5]C[5])	C[6a](As[5]C[5,6a]C[6a]2O[5])(C[6a]C[6a]H)2	C[5,6a](C[5,6a]C[6a]C[5])(As[5]C[6a]3O[5])(C[6a]C[6a]H)	As[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)3(O[5]C[5]){1|C<4>,7|H<1>,9|C<3>}	C[6a](As[5]C[5,6a]C[6a]2O[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(As[5]C[6a]3O[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,8|C<3>}	112.1110	14.866	3	112.1110	221.000	3	112.1110	221.000	3	112.1110	221.000	3	112.1110	221.000	3	112.1110	221.000	3
222	643	976	0:SPD5_SP2_SP3	As[5,5]	C[6a]	O[5]	3:3:3:2:2:	5:3:3:	5:4:	C[6a]-3:N[5]-3:N[5]-3:O[5]-2:O[5]-2:	As[5,5]-5:C[6a]-3:C[6a]-3:	As[5,5]-5:C[5]-4:	As[5,5](C[6a]C[6a]2)(N[5]C[5]H)2(O[5]C[5])2	C[6a](As[5,5]N[5]2O[5]2)(C[6a]C[6a]H)2	O[5](As[5,5]C[6a]N[5]2O[5])(C[5]C[6a]C[5]H)	As[5,5](C[6a]C[6a]2)(N[5]C[5]H)2(O[5]C[5])2{2|C<4>,4|C<3>,6|H<1>}	C[6a](As[5,5]N[5]2O[5]2)(C[6a]C[6a]H)2{1|C<3>,4|C<4>,4|H<1>}	O[5](As[5,5]C[6a]N[5]2O[5])(C[5]C[6a]C[5]H){3|C<4>,3|H<1>,4|C<3>}	95.8988	1.242	2	95.8988	1.543	2	95.8988	1.543	2	95.8988	1.543	2	95.8988	1.543	2	107.7374	1444.270	5
222	643	976	0:SPD5_SP2_SP3	As[5]	C[6a]	O[5]	3:3:3:3:2:	5:3:3:	5:4:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[6a]-3:O[5]-2:	As[5]-5:C[6a]-3:C[6a]-3:	As[5]-5:C[5]-4:	As[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)3(O[5]C[5])	C[6a](As[5]C[5,6a]C[6a]2O[5])(C[6a]C[6a]H)2	O[5](As[5]C[5,6a]C[6a]3)(C[5]C[5,6a]C[6a]C)	As[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)3(O[5]C[5]){1|C<4>,7|H<1>,9|C<3>}	C[6a](As[5]C[5,6a]C[6a]2O[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,7|C<3>}	O[5](As[5]C[5,6a]C[6a]3)(C[5]C[5,6a]C[6a]C){10|C<3>}	115.6298	51.519	3	115.6298	2654.182	3	115.6298	2654.182	3	115.6298	2654.182	3	115.6298	2654.182	3	107.7374	1444.270	5
222	727	727	0:SPD5_SP2_SP2	As[5,5]	C[5,6a]	C[5,6a]	3:3:2:2:2:	5:3:3:	5:3:3:	C[5,6a]-3:C[5,6a]-3:O[5]-2:O[5]-2:O-2:	As[5,5]-5:C[5,6a]-3:C[6a]-3:	As[5,5]-5:C[5,6a]-3:C[6a]-3:	As[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2(OH)	C[5,6a](As[5,5]C[5,6a]O[5]2O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](As[5,5]C[5,6a]O[5]2O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	As[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2(OH){2|H<1>,4|C<3>,4|C<4>}	C[5,6a](As[5,5]C[5,6a]O[5]2O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	C[5,6a](As[5,5]C[5,6a]O[5]2O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	129.0780	2.150	4	129.0780	4.622	4	129.0780	4.622	4	129.0780	4.622	4	125.9447	105.076	10	125.9447	105.076	10
222	727	727	0:SPD5_SP2_SP2	As[5,5]	C[5,6a]	C[5,6a]	3:3:2:2:4:	5:3:3:	5:3:3:	C[5,6a]-3:C[5,6a]-3:O[5]-2:O[5]-2:C-4:	As[5,5]-5:C[5,6a]-3:C[6a]-3:	As[5,5]-5:C[5,6a]-3:C[6a]-3:	As[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2(CC3)	C[5,6a](As[5,5]C[5,6a]O[5]2C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](As[5,5]C[5,6a]O[5]2C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	As[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2(CC3){2|H<1>,4|C<3>,4|C<4>}	C[5,6a](As[5,5]C[5,6a]O[5]2C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	C[5,6a](As[5,5]C[5,6a]O[5]2C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	115.6630	21.932	2	115.6630	480.996	2	123.8558	173.274	6	123.8558	173.274	6	125.9447	105.076	10	125.9447	105.076	10
222	727	727	0:SPD5_SP2_SP2	As[5,5]	C[5,6a]	C[5,6a]	3:3:2:2:4:	5:3:3:	5:3:3:	C[5,6a]-3:C[5,6a]-3:O[5]-2:O[5]-2:C-4:	As[5,5]-5:C[5,6a]-3:C[6a]-3:	As[5,5]-5:C[5,6a]-3:C[6a]-3:	As[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2(CCHH)	C[5,6a](As[5,5]C[5,6a]O[5]2C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](As[5,5]C[5,6a]O[5]2C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	As[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2(CCHH){2|H<1>,4|C<3>,4|C<4>}	C[5,6a](As[5,5]C[5,6a]O[5]2C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	C[5,6a](As[5,5]C[5,6a]O[5]2C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	127.9523	7.832	4	127.9523	61.335	4	123.8558	173.274	6	123.8558	173.274	6	125.9447	105.076	10	125.9447	105.076	10
222	727	727	5:SPD5_SP2_SP2	As[5,5]	C[5,6a]	C[5,6a]	3:3:2:2:1:	5:3:3:	5:3:3:	C[5,6a]-3:C[5,6a]-3:O[5]-2:O[5]-2:I-1:	As[5,5]-5:C[5,6a]-3:C[6a]-3:	As[5,5]-5:C[5,6a]-3:C[6a]-3:	As[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2(I)	C[5,6a](As[5,5]C[5,6a]O[5]2I)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](As[5,5]C[5,6a]O[5]2I)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	As[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2(I){2|H<1>,4|C<3>,4|C<4>}	C[5,6a](As[5,5]C[5,6a]O[5]2I)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	C[5,6a](As[5,5]C[5,6a]O[5]2I)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	134.2880	0.000	1	134.2880	0.000	1	134.2880	0.000	1	134.2880	0.000	1	134.2880	0.000	1	134.2880	0.000	1
222	727	893	0:SPD5_SP2_SP3	As[5,5]	C[5,6a]	O	3:3:2:2:2:	5:3:3:	5:1:	C[5,6a]-3:C[5,6a]-3:O[5]-2:O[5]-2:O-2:	As[5,5]-5:C[5,6a]-3:C[6a]-3:	As[5,5]-5:H-1:	As[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2(OH)	C[5,6a](As[5,5]C[5,6a]O[5]2O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	O(As[5,5]C[5,6a]2O[5]2)(H)	As[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2(OH){2|H<1>,4|C<3>,4|C<4>}	C[5,6a](As[5,5]C[5,6a]O[5]2O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	O(As[5,5]C[5,6a]2O[5]2)(H)	115.4591	2.199	8	115.4591	4.837	8	115.4591	4.837	8	115.4591	4.837	8	115.4591	4.837	8	115.4591	4.837	8
222	727	944	0:SPD5_SP-NON_SP2	As[5,5]	C[5,6a]	I	3:3:2:2:1:	5:3:3:	5:	C[5,6a]-3:C[5,6a]-3:O[5]-2:O[5]-2:I-1:	As[5,5]-5:C[5,6a]-3:C[6a]-3:	As[5,5]-5:	As[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2(I)	C[5,6a](As[5,5]C[5,6a]O[5]2I)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	I(As[5,5]C[5,6a]2O[5]2)	As[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2(I){2|H<1>,4|C<3>,4|C<4>}	C[5,6a](As[5,5]C[5,6a]O[5]2I)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	I(As[5,5]C[5,6a]2O[5]2)	112.8560	0.000	1	112.8560	0.000	1	112.8560	0.000	1	112.8560	0.000	1	112.8560	0.000	1	112.8560	0.000	1
222	727	976	0:SPD5_SP2_SP3	As[5,5]	C[5,6a]	O[5]	3:3:2:2:2:	5:3:3:	5:4:	C[5,6a]-3:C[5,6a]-3:O[5]-2:O[5]-2:O-2:	As[5,5]-5:C[5,6a]-3:C[6a]-3:	As[5,5]-5:C[5]-4:	As[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2(OH)	C[5,6a](As[5,5]C[5,6a]O[5]2O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	O[5](As[5,5]C[5,6a]2O[5]O)(C[5]C[5,6a]CC)	As[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2(OH){2|H<1>,4|C<3>,4|C<4>}	C[5,6a](As[5,5]C[5,6a]O[5]2O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	O[5](As[5,5]C[5,6a]2O[5]O)(C[5]C[5,6a]CC){1|C<4>,4|C<3>}	93.5461	1.185	8	93.5461	1.404	8	93.5461	1.404	8	93.5461	1.404	8	97.5163	282.312	20	97.5163	282.312	20
222	727	976	0:SPD5_SP2_SP3	As[5,5]	C[5,6a]	O[5]	3:3:2:2:4:	5:3:3:	5:4:	C[5,6a]-3:C[5,6a]-3:O[5]-2:O[5]-2:C-4:	As[5,5]-5:C[5,6a]-3:C[6a]-3:	As[5,5]-5:C[5]-4:	As[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2(CC3)	C[5,6a](As[5,5]C[5,6a]O[5]2C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	O[5](As[5,5]C[5,6a]2O[5]C)(C[5]C[5,6a]CC)	As[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2(CC3){2|H<1>,4|C<3>,4|C<4>}	C[5,6a](As[5,5]C[5,6a]O[5]2C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	O[5](As[5,5]C[5,6a]2O[5]C)(C[5]C[5,6a]CC){1|C<4>,4|C<3>}	116.0959	34.677	4	116.0959	1202.521	4	100.1632	467.630	12	100.1632	467.630	12	97.5163	282.312	20	97.5163	282.312	20
222	727	976	0:SPD5_SP2_SP3	As[5,5]	C[5,6a]	O[5]	3:3:2:2:4:	5:3:3:	5:4:	C[5,6a]-3:C[5,6a]-3:O[5]-2:O[5]-2:C-4:	As[5,5]-5:C[5,6a]-3:C[6a]-3:	As[5,5]-5:C[5]-4:	As[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2(CCHH)	C[5,6a](As[5,5]C[5,6a]O[5]2C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	O[5](As[5,5]C[5,6a]2O[5]C)(C[5]C[5,6a]CC)	As[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2(CCHH){2|H<1>,4|C<3>,4|C<4>}	C[5,6a](As[5,5]C[5,6a]O[5]2C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	O[5](As[5,5]C[5,6a]2O[5]C)(C[5]C[5,6a]CC){1|C<4>,4|C<3>}	92.1968	1.376	8	92.1968	1.894	8	100.1632	467.630	12	100.1632	467.630	12	97.5163	282.312	20	97.5163	282.312	20
222	727	976	5:SPD5_SP2_SP3	As[5,5]	C[5,6a]	O[5]	3:3:2:2:1:	5:3:3:	5:4:	C[5,6a]-3:C[5,6a]-3:O[5]-2:O[5]-2:I-1:	As[5,5]-5:C[5,6a]-3:C[6a]-3:	As[5,5]-5:C[5]-4:	As[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2(I)	C[5,6a](As[5,5]C[5,6a]O[5]2I)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	O[5](As[5,5]C[5,6a]2O[5]I)(C[5]C[5,6a]CC)	As[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2(I){2|H<1>,4|C<3>,4|C<4>}	C[5,6a](As[5,5]C[5,6a]O[5]2I)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	O[5](As[5,5]C[5,6a]2O[5]I)(C[5]C[5,6a]CC){1|C<4>,4|C<3>}	88.1770	3.799	2	88.1770	14.431	2	88.1770	14.431	2	88.1770	14.431	2	85.4778	2.555	22	85.2768	3.368	23
222	727	976	5:SPD5_SP2_SP3	As[5,5]	C[5,6a]	O[5]	3:3:2:2:2:	5:3:3:	5:4:	C[5,6a]-3:C[5,6a]-3:O[5]-2:O[5]-2:O-2:	As[5,5]-5:C[5,6a]-3:C[6a]-3:	As[5,5]-5:C[5]-4:	As[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2(OH)	C[5,6a](As[5,5]C[5,6a]O[5]2O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	O[5](As[5,5]C[5,6a]2O[5]O)(C[5]C[5,6a]CC)	As[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2(OH){2|H<1>,4|C<3>,4|C<4>}	C[5,6a](As[5,5]C[5,6a]O[5]2O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	O[5](As[5,5]C[5,6a]2O[5]O)(C[5]C[5,6a]CC){1|C<4>,4|C<3>}	86.2196	0.667	8	86.2196	0.445	8	86.2196	0.445	8	86.2196	0.445	8	85.4778	2.555	22	85.2768	3.368	23
222	727	976	5:SPD5_SP2_SP3	As[5,5]	C[5,6a]	O[5]	3:3:2:2:4:	5:3:3:	5:4:	C[5,6a]-3:C[5,6a]-3:O[5]-2:O[5]-2:C-4:	As[5,5]-5:C[5,6a]-3:C[6a]-3:	As[5,5]-5:C[5]-4:	As[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2(CC3)	C[5,6a](As[5,5]C[5,6a]O[5]2C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	O[5](As[5,5]C[5,6a]2O[5]C)(C[5]C[5,6a]CC)	As[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2(CC3){2|H<1>,4|C<3>,4|C<4>}	C[5,6a](As[5,5]C[5,6a]O[5]2C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	O[5](As[5,5]C[5,6a]2O[5]C)(C[5]C[5,6a]CC){1|C<4>,4|C<3>}	83.7972	0.734	4	83.7972	0.539	4	84.5333	0.584	12	84.5333	0.584	12	85.4778	2.555	22	85.2768	3.368	23
222	727	976	5:SPD5_SP2_SP3	As[5,5]	C[5,6a]	O[5]	3:3:2:2:4:	5:3:3:	5:4:	C[5,6a]-3:C[5,6a]-3:O[5]-2:O[5]-2:C-4:	As[5,5]-5:C[5,6a]-3:C[6a]-3:	As[5,5]-5:C[5]-4:	As[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2(CCHH)	C[5,6a](As[5,5]C[5,6a]O[5]2C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	O[5](As[5,5]C[5,6a]2O[5]C)(C[5]C[5,6a]CC)	As[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2(CCHH){2|H<1>,4|C<3>,4|C<4>}	C[5,6a](As[5,5]C[5,6a]O[5]2C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	O[5](As[5,5]C[5,6a]2O[5]C)(C[5]C[5,6a]CC){1|C<4>,4|C<3>}	84.9014	0.472	8	84.9014	0.222	8	84.5333	0.584	12	84.5333	0.584	12	85.4778	2.555	22	85.2768	3.368	23
222	727	976	5:SPD5_SP2_SP3	As[5]	C[5,6a]	O[5]	3:3:3:3:2:	3:5:3:	5:4:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:As[5]-5:C[6a]-3:	As[5]-5:C[5]-4:	As[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)3(O[5]C[5])	C[5,6a](C[5,6a]C[6a]C[5])(As[5]C[6a]3O[5])(C[6a]C[6a]H)	O[5](As[5]C[5,6a]C[6a]3)(C[5]C[5,6a]C[6a]C)	As[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)3(O[5]C[5]){1|C<4>,7|H<1>,9|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(As[5]C[6a]3O[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,8|C<3>}	O[5](As[5]C[5,6a]C[6a]3)(C[5]C[5,6a]C[6a]C){10|C<3>}	80.8548	0.000	1	80.8548	0.000	1	80.8548	0.000	1	80.8548	0.000	1	80.8548	0.000	1	85.2768	3.368	23
222	893	976	0:SPD5_SP3_SP3	As[5,5]	O	O[5]	3:3:2:2:2:	5:1:	5:4:	C[5,6a]-3:C[5,6a]-3:O[5]-2:O[5]-2:O-2:	As[5,5]-5:H-1:	As[5,5]-5:C[5]-4:	As[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2(OH)	O(As[5,5]C[5,6a]2O[5]2)(H)	O[5](As[5,5]C[5,6a]2O[5]O)(C[5]C[5,6a]CC)	As[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2(OH){2|H<1>,4|C<3>,4|C<4>}	O(As[5,5]C[5,6a]2O[5]2)(H)	O[5](As[5,5]C[5,6a]2O[5]O)(C[5]C[5,6a]CC){1|C<4>,4|C<3>}	90.2906	1.055	8	90.2906	1.112	8	90.2906	1.112	8	90.2906	1.112	8	90.2906	1.112	8	90.2906	1.112	8
222	944	976	0:SPD5_SP-NON_SP3	As[5,5]	I	O[5]	3:3:2:2:1:	5:	5:4:	C[5,6a]-3:C[5,6a]-3:O[5]-2:O[5]-2:I-1:	As[5,5]-5:	As[5,5]-5:C[5]-4:	As[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2(I)	I(As[5,5]C[5,6a]2O[5]2)	O[5](As[5,5]C[5,6a]2O[5]I)(C[5]C[5,6a]CC)	As[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2(I){2|H<1>,4|C<3>,4|C<4>}	I(As[5,5]C[5,6a]2O[5]2)	O[5](As[5,5]C[5,6a]2O[5]I)(C[5]C[5,6a]CC){1|C<4>,4|C<3>}	94.6928	0.000	1	94.6928	0.000	1	94.6928	0.000	1	94.6928	0.000	1	94.6928	0.000	1	94.6928	0.000	1
222	976	976	0:SPD5_SP3_SP3	As[5,5]	O[5]	O[5]	3:3:2:2:2:	5:4:	5:4:	C[5,6a]-3:C[5,6a]-3:O[5]-2:O[5]-2:O-2:	As[5,5]-5:C[5]-4:	As[5,5]-5:C[5]-4:	As[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2(OH)	O[5](As[5,5]C[5,6a]2O[5]O)(C[5]C[5,6a]CC)	O[5](As[5,5]C[5,6a]2O[5]O)(C[5]C[5,6a]CC)	As[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2(OH){2|H<1>,4|C<3>,4|C<4>}	O[5](As[5,5]C[5,6a]2O[5]O)(C[5]C[5,6a]CC){1|C<4>,4|C<3>}	O[5](As[5,5]C[5,6a]2O[5]O)(C[5]C[5,6a]CC){1|C<4>,4|C<3>}	178.5930	0.611	4	178.5930	0.373	4	178.5930	0.373	4	178.5930	0.373	4	165.5358	824.708	11	165.5358	824.708	11
222	976	976	0:SPD5_SP3_SP3	As[5,5]	O[5]	O[5]	3:3:2:2:4:	5:4:	5:4:	C[5,6a]-3:C[5,6a]-3:O[5]-2:O[5]-2:C-4:	As[5,5]-5:C[5]-4:	As[5,5]-5:C[5]-4:	As[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2(CC3)	O[5](As[5,5]C[5,6a]2O[5]C)(C[5]C[5,6a]CC)	O[5](As[5,5]C[5,6a]2O[5]C)(C[5]C[5,6a]CC)	As[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2(CC3){2|H<1>,4|C<3>,4|C<4>}	O[5](As[5,5]C[5,6a]2O[5]C)(C[5]C[5,6a]CC){1|C<4>,4|C<3>}	O[5](As[5,5]C[5,6a]2O[5]C)(C[5]C[5,6a]CC){1|C<4>,4|C<3>}	123.4537	61.109	2	123.4537	3734.260	2	156.3926	1411.098	6	156.3926	1411.098	6	165.5358	824.708	11	165.5358	824.708	11
222	976	976	0:SPD5_SP3_SP3	As[5,5]	O[5]	O[5]	3:3:2:2:4:	5:4:	5:4:	C[5,6a]-3:C[5,6a]-3:O[5]-2:O[5]-2:C-4:	As[5,5]-5:C[5]-4:	As[5,5]-5:C[5]-4:	As[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2(CCHH)	O[5](As[5,5]C[5,6a]2O[5]C)(C[5]C[5,6a]CC)	O[5](As[5,5]C[5,6a]2O[5]C)(C[5]C[5,6a]CC)	As[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2(CCHH){2|H<1>,4|C<3>,4|C<4>}	O[5](As[5,5]C[5,6a]2O[5]C)(C[5]C[5,6a]CC){1|C<4>,4|C<3>}	O[5](As[5,5]C[5,6a]2O[5]C)(C[5]C[5,6a]CC){1|C<4>,4|C<3>}	172.8620	4.702	4	172.8620	22.107	4	156.3926	1411.098	6	156.3926	1411.098	6	165.5358	824.708	11	165.5358	824.708	11
222	976	976	0:SPD5_SP3_SP3	As[5,5]	O[5]	O[5]	3:3:3:2:2:	5:4:	5:4:	C[6a]-3:N[5]-3:N[5]-3:O[5]-2:O[5]-2:	As[5,5]-5:C[5]-4:	As[5,5]-5:C[5]-4:	As[5,5](C[6a]C[6a]2)(N[5]C[5]H)2(O[5]C[5])2	O[5](As[5,5]C[6a]N[5]2O[5])(C[5]C[6a]C[5]H)	O[5](As[5,5]C[6a]N[5]2O[5])(C[5]C[6a]C[5]H)	As[5,5](C[6a]C[6a]2)(N[5]C[5]H)2(O[5]C[5])2{2|C<4>,4|C<3>,6|H<1>}	O[5](As[5,5]C[6a]N[5]2O[5])(C[5]C[6a]C[5]H){3|C<4>,3|H<1>,4|C<3>}	O[5](As[5,5]C[6a]N[5]2O[5])(C[5]C[6a]C[5]H){3|C<4>,3|H<1>,4|C<3>}	168.1660	0.000	1	168.1660	0.000	1	168.1660	0.000	1	168.1660	0.000	1	165.5358	824.708	11	165.5358	824.708	11
222	976	976	5:SPD5_SP3_SP3	As[5,5]	O[5]	O[5]	3:3:2:2:1:	5:4:	5:4:	C[5,6a]-3:C[5,6a]-3:O[5]-2:O[5]-2:I-1:	As[5,5]-5:C[5]-4:	As[5,5]-5:C[5]-4:	As[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2(I)	O[5](As[5,5]C[5,6a]2O[5]I)(C[5]C[5,6a]CC)	O[5](As[5,5]C[5,6a]2O[5]I)(C[5]C[5,6a]CC)	As[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2(I){2|H<1>,4|C<3>,4|C<4>}	O[5](As[5,5]C[5,6a]2O[5]I)(C[5]C[5,6a]CC){1|C<4>,4|C<3>}	O[5](As[5,5]C[5,6a]2O[5]I)(C[5]C[5,6a]CC){1|C<4>,4|C<3>}	170.6140	0.000	1	170.6140	0.000	1	170.6140	0.000	1	170.6140	0.000	1	170.6140	0.000	1	170.6140	0.000	1
226	74	74	4:SP3_SP2_SP2	O[4]	N[4]	N[4]	3:3:	2:2:1:	2:2:1:	N[4]-3:N[4]-3:	O[4]-2:O[4]-2:O-1:	O[4]-2:O[4]-2:O-1:	O[4](N[4]O[4]O)2	N[4](O[4]N[4])2(O)	N[4](O[4]N[4])2(O)	O[4](N[4]O[4]O)2	N[4](O[4]N[4])2(O){1|O<1>}	N[4](O[4]N[4])2(O){1|O<1>}	36.6804	0.000	1	36.6804	0.000	1	36.6804	0.000	1	36.6804	0.000	1	36.6804	0.000	1	36.6804	0.000	1
226	74	478	4:SP3_SP3_SP3	O[4]	N[4]	C[4]	4:3:	3:2:4:	3:3:3:2:	C[4]-4:N[4]-3:	C[4]-3:O[4]-2:C-4:	C[6a]-3:C[6a]-3:C[4]-3:O[4]-2:	O[4](C[4]C[6a]2C[4])(N[4]C[4]C)	N[4](C[4]C[4]O)(O[4]C[4])(CCFF)	C[4](C[6a]C[6a]2)2(C[4]N[4]O)(O[4]N[4])	O[4](C[4]C[6a]2C[4])(N[4]C[4]C){1|O<1>,4|C<3>}	N[4](C[4]C[4]O)(O[4]C[4])(CCFF){2|C<3>}	C[4](C[6a]C[6a]2)2(C[4]N[4]O)(O[4]N[4]){1|C<4>,4|C<3>,4|H<1>}	89.6565	0.000	1	89.6565	0.000	1	89.6565	0.000	1	89.6565	0.000	1	89.7102	0.281	4	89.7102	0.281	4
226	74	478	4:SP3_SP3_SP3	O[4]	N[4]	C[4]	4:3:	4:2:4:	4:3:2:4:	C[4]-4:N[4]-3:	C[4]-4:O[4]-2:C-4:	C[4]-4:C[5]-3:O[4]-2:C-4:	O[4](C[4]C[4]C[5]C)(N[4]C[4]C)	N[4](C[4]C[6a]C[4]H)(O[4]C[4])(CC3)	C[4](C[4]C[6a]N[4]H)(C[5]N[5]O[5])(O[4]N[4])(CH3)	O[4](C[4]C[4]C[5]C)(N[4]C[4]C){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	N[4](C[4]C[6a]C[4]H)(O[4]C[4])(CC3){1|C<4>,3|C<3>}	C[4](C[4]C[6a]N[4]H)(C[5]N[5]O[5])(O[4]N[4])(CH3){2|C<3>,3|C<4>}	90.4757	0.000	1	90.4757	0.000	1	90.4757	0.000	1	89.7281	0.419	3	89.7102	0.281	4	89.7102	0.281	4
226	74	478	4:SP3_SP3_SP3	O[4]	N[4]	C[4]	4:3:	4:2:4:	4:3:2:4:	C[4]-4:N[4]-3:	C[4]-4:O[4]-2:C-4:	C[4]-4:C[6a]-3:O[4]-2:C-4:	O[4](C[4]C[6a]C[4]C)(N[4]C[4]C)	N[4](C[4]C[6a]C[4]H)(O[4]C[4])(CC3)	C[4](C[4]C[6a]N[4]H)(C[6a]C[6a]2)(O[4]N[4])(CHHO)	O[4](C[4]C[6a]C[4]C)(N[4]C[4]C){1|H<1>,3|C<3>}	N[4](C[4]C[6a]C[4]H)(O[4]C[4])(CC3){1|C<4>,3|C<3>}	C[4](C[4]C[6a]N[4]H)(C[6a]C[6a]2)(O[4]N[4])(CHHO){1|C<4>,2|H<1>,4|C<3>}	89.3543	0.020	2	89.3543	0.000	2	89.3543	0.000	2	89.7281	0.419	3	89.7102	0.281	4	89.7102	0.281	4
226	226	478	4:SP3_SP3_SP3	O[4]	O[4]	C[4,5]	4:2:	4:2:	3:4:3:2:	C[4,5]-4:O[4]-2:	C[4,5]-4:O[4]-2:	C[6a]-3:C[4,5]-4:N[5]-3:O[4]-2:	O[4](C[4,5]C[4,5]C[6a]N[5])(O[4]C[4,5])	O[4](C[4,5]C[4,5]C[5]C)(O[4]C[4,5])	C[4,5](C[6a]C[6a,6a]C[6a])(C[4,5]C[5]O[4]C)(N[5]C[5]C)(O[4]O[4])	O[4](C[4,5]C[4,5]C[6a]N[5])(O[4]C[4,5]){3|C<3>,3|C<4>}	O[4](C[4,5]C[4,5]C[5]C)(O[4]C[4,5]){1|C<3>,1|N<3>,3|C<4>}	C[4,5](C[6a]C[6a,6a]C[6a])(C[4,5]C[5]O[4]C)(N[5]C[5]C)(O[4]O[4]){2|C<4>,3|C<3>,3|H<1>}	90.1231	0.312	3	90.1231	0.097	3	90.1231	0.097	3	90.1231	0.097	3	90.8875	0.250	30	90.7782	0.420	32
226	226	478	4:SP3_SP3_SP3	O[4]	O[4]	C[4,5]	4:2:	4:2:	4:3:2:2:	C[4,5]-4:O[4]-2:	C[4,5]-4:O[4]-2:	C[4,5]-4:C[6]-3:O[4]-2:O[5]-2:	O[4](C[4,5]C[4,5]C[6]O[5])(O[4]C[4,5])	O[4](C[4,5]C[4,5]C[5]C)(O[4]C[4,5])	C[4,5](C[4,5]C[5]O[4]C)(C[6]C[6]2)(O[4]O[4])(O[5]C[5])	O[4](C[4,5]C[4,5]C[6]O[5])(O[4]C[4,5]){2|C<3>,3|C<4>}	O[4](C[4,5]C[4,5]C[5]C)(O[4]C[4,5]){1|C<3>,1|O<2>,3|C<4>}	C[4,5](C[4,5]C[5]O[4]C)(C[6]C[6]2)(O[4]O[4])(O[5]C[5]){2|C<4>,3|C<3>,3|H<1>}	90.9703	0.000	1	90.9703	0.000	1	90.9703	0.000	1	91.2217	0.112	9	90.8875	0.250	30	90.7782	0.420	32
226	226	478	4:SP3_SP3_SP3	O[4]	O[4]	C[4,5]	4:2:	4:2:	4:3:2:2:	C[4,5]-4:O[4]-2:	C[4,5]-4:O[4]-2:	C[4,5]-4:C[6a]-3:O[4]-2:O[5]-2:	O[4](C[4,5]C[4,5]C[6a]O[5])(O[4]C[4,5])	O[4](C[4,5]C[4,5]C[5]C)(O[4]C[4,5])	C[4,5](C[4,5]C[5]O[4]C)(C[6a]C[6a]2)(O[4]O[4])(O[5]C[5])	O[4](C[4,5]C[4,5]C[6a]O[5])(O[4]C[4,5]){2|C<3>,3|C<4>}	O[4](C[4,5]C[4,5]C[5]C)(O[4]C[4,5]){1|C<3>,1|O<2>,3|C<4>}	C[4,5](C[4,5]C[5]O[4]C)(C[6a]C[6a]2)(O[4]O[4])(O[5]C[5]){2|C<3>,2|C<4>,4|H<1>}	91.1814	0.172	4	91.2889	0.125	7	91.2889	0.125	7	91.2217	0.112	9	90.8875	0.250	30	90.7782	0.420	32
226	226	478	4:SP3_SP3_SP3	O[4]	O[4]	C[4,5]	4:2:	4:2:	4:3:2:2:	C[4,5]-4:O[4]-2:	C[4,5]-4:O[4]-2:	C[4,5]-4:C[6a]-3:O[4]-2:O[5]-2:	O[4](C[4,5]C[4,5]C[6a]O[5])(O[4]C[4,5])	O[4](C[4,5]C[4,5]C[5]C)(O[4]C[4,5])	C[4,5](C[4,5]C[5]O[4]C)(C[6a]C[6a]2)(O[4]O[4])(O[5]C[5])	O[4](C[4,5]C[4,5]C[6a]O[5])(O[4]C[4,5]){2|C<3>,3|C<4>}	O[4](C[4,5]C[4,5]C[5]C)(O[4]C[4,5]){1|C<3>,1|O<2>,3|C<4>}	C[4,5](C[4,5]C[5]O[4]C)(C[6a]C[6a]2)(O[4]O[4])(O[5]C[5]){2|C<4>,3|C<3>,3|H<1>}	91.4322	0.527	3	91.2889	0.125	7	91.2889	0.125	7	91.2217	0.112	9	90.8875	0.250	30	90.7782	0.420	32
226	226	478	4:SP3_SP3_SP3	O[4]	O[4]	C[4,5]	4:2:	4:2:	4:3:2:2:	C[4,5]-4:O[4]-2:	C[4,5]-4:O[4]-2:	C[4,5]-4:C[6a]-3:O[4]-2:S[5]-2:	O[4](C[4,5]C[4,5]C[6a]S[5])(O[4]C[4,5])	O[4](C[4,5]C[4,5]C[5]C)(O[4]C[4,5])	C[4,5](C[4,5]C[5]O[4]C)(C[6a]C[6a]2)(O[4]O[4])(S[5]C[5])	O[4](C[4,5]C[4,5]C[6a]S[5])(O[4]C[4,5]){2|C<3>,3|C<4>}	O[4](C[4,5]C[4,5]C[5]C)(O[4]C[4,5]){1|C<3>,1|S<2>,3|C<4>}	C[4,5](C[4,5]C[5]O[4]C)(C[6a]C[6a]2)(O[4]O[4])(S[5]C[5]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	91.0029	0.000	1	91.0029	0.000	1	91.0029	0.000	1	91.2217	0.112	9	90.8875	0.250	30	90.7782	0.420	32
226	226	478	4:SP3_SP3_SP3	O[4]	O[4]	C[4,5]	4:2:	4:2:	4:3:3:2:	C[4,5]-4:O[4]-2:	C[4,5]-4:O[4]-2:	C[4,5]-4:C[6a]-3:N[5]-3:O[4]-2:	O[4](C[4,5]C[4,5]C[6a]N[5])(O[4]C[4,5])	O[4](C[4,5]C[4,5]C[5]C)(O[4]C[4,5])	C[4,5](C[4,5]C[5]O[4]C)(C[6a]C[6a]2)(N[5]C[5]C)(O[4]O[4])	O[4](C[4,5]C[4,5]C[6a]N[5])(O[4]C[4,5]){3|C<3>,3|C<4>}	O[4](C[4,5]C[4,5]C[5]C)(O[4]C[4,5]){1|C<3>,1|N<3>,3|C<4>}	C[4,5](C[4,5]C[5]O[4]C)(C[6a]C[6a]2)(N[5]C[5]C)(O[4]O[4]){2|C<3>,3|C<4>,3|H<1>}	90.0996	0.090	2	90.0996	0.008	2	90.0996	0.008	2	90.0996	0.008	2	90.8875	0.250	30	90.7782	0.420	32
226	226	478	4:SP3_SP3_SP3	O[4]	O[4]	C[4,5]	4:2:	4:2:	4:3:4:2:	C[4,5]-4:O[4]-2:	C[4,5]-4:O[4]-2:	C[4,5]-4:C[6a]-3:S[5]-4:O[4]-2:	O[4](C[4,5]C[4,5]C[6a]S[5])(O[4]C[4,5])	O[4](C[4,5]C[4,5]C[5]C)(O[4]C[4,5])	C[4,5](C[4,5]C[5]O[4]C)(C[6a]C[6a]2)(S[5]C[5]OO)(O[4]O[4])	O[4](C[4,5]C[4,5]C[6a]S[5])(O[4]C[4,5]){2|C<3>,2|O<1>,3|C<4>}	O[4](C[4,5]C[4,5]C[5]C)(O[4]C[4,5]){1|C<3>,1|S<4>,3|C<4>}	C[4,5](C[4,5]C[5]O[4]C)(C[6a]C[6a]2)(S[5]C[5]OO)(O[4]O[4]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	90.9420	0.000	1	90.9420	0.000	1	90.9420	0.000	1	90.9420	0.000	1	90.8875	0.250	30	90.7782	0.420	32
226	226	478	4:SP3_SP3_SP3	O[4]	O[4]	C[4,5]	4:2:	4:2:	4:4:2:4:	C[4,5]-4:O[4]-2:	C[4,5]-4:O[4]-2:	C[4,5]-4:C[5]-4:O[4]-2:C-4:	O[4](C[4,5]C[4,5]C[5]C)(O[4]C[4,5])	O[4](C[4,5]C[4,5]C[6]O[5])(O[4]C[4,5])	C[4,5](C[4,5]C[6]O[4]O[5])(C[5]C[5]CC)(O[4]O[4])(CC3)	O[4](C[4,5]C[4,5]C[5]C)(O[4]C[4,5]){1|C<3>,1|O<2>,3|C<4>}	O[4](C[4,5]C[4,5]C[6]O[5])(O[4]C[4,5]){2|C<3>,3|C<4>}	C[4,5](C[4,5]C[6]O[4]O[5])(C[5]C[5]CC)(O[4]O[4])(CC3){2|C<3>,2|H<1>}	90.9619	0.000	1	90.9619	0.000	1	90.9412	0.151	15	90.9412	0.151	15	90.8875	0.250	30	90.7782	0.420	32
226	226	478	4:SP3_SP3_SP3	O[4]	O[4]	C[4,5]	4:2:	4:2:	4:4:2:4:	C[4,5]-4:O[4]-2:	C[4,5]-4:O[4]-2:	C[4,5]-4:C[5]-4:O[4]-2:C-4:	O[4](C[4,5]C[4,5]C[5]C)(O[4]C[4,5])	O[4](C[4,5]C[4,5]C[6a]N[5])(O[4]C[4,5])	C[4,5](C[4,5]C[6a]N[5]O[4])(C[5]C[5]CC)(O[4]O[4])(CC3)	O[4](C[4,5]C[4,5]C[5]C)(O[4]C[4,5]){1|C<3>,1|N<3>,3|C<4>}	O[4](C[4,5]C[4,5]C[6a]N[5])(O[4]C[4,5]){3|C<3>,3|C<4>}	C[4,5](C[4,5]C[6a]N[5]O[4])(C[5]C[5]CC)(O[4]O[4])(CC3){2|H<1>,3|C<3>}	90.8986	0.302	5	90.8986	0.091	5	90.9412	0.151	15	90.9412	0.151	15	90.8875	0.250	30	90.7782	0.420	32
226	226	478	4:SP3_SP3_SP3	O[4]	O[4]	C[4,5]	4:2:	4:2:	4:4:2:4:	C[4,5]-4:O[4]-2:	C[4,5]-4:O[4]-2:	C[4,5]-4:C[5]-4:O[4]-2:C-4:	O[4](C[4,5]C[4,5]C[5]C)(O[4]C[4,5])	O[4](C[4,5]C[4,5]C[6a]O[5])(O[4]C[4,5])	C[4,5](C[4,5]C[6a]O[4]O[5])(C[5]C[5]CC)(O[4]O[4])(CC3)	O[4](C[4,5]C[4,5]C[5]C)(O[4]C[4,5]){1|C<3>,1|O<2>,3|C<4>}	O[4](C[4,5]C[4,5]C[6a]O[5])(O[4]C[4,5]){2|C<3>,3|C<4>}	C[4,5](C[4,5]C[6a]O[4]O[5])(C[5]C[5]CC)(O[4]O[4])(CC3){2|C<3>,2|H<1>}	91.1302	0.358	5	91.1302	0.128	5	90.9412	0.151	15	90.9412	0.151	15	90.8875	0.250	30	90.7782	0.420	32
226	226	478	4:SP3_SP3_SP3	O[4]	O[4]	C[4,5]	4:2:	4:2:	4:4:2:4:	C[4,5]-4:O[4]-2:	C[4,5]-4:O[4]-2:	C[4,5]-4:C[5]-4:O[4]-2:C-4:	O[4](C[4,5]C[4,5]C[5]C)(O[4]C[4,5])	O[4](C[4,5]C[4,5]C[6a]O[5])(O[4]C[4,5])	C[4,5](C[4,5]C[6a]O[4]O[5])(C[5]C[5]CC)(O[4]O[4])(CCCH)	O[4](C[4,5]C[4,5]C[5]C)(O[4]C[4,5]){1|C<3>,1|O<2>,3|C<4>}	O[4](C[4,5]C[4,5]C[6a]O[5])(O[4]C[4,5]){2|C<3>,3|C<4>}	C[4,5](C[4,5]C[6a]O[4]O[5])(C[5]C[5]CC)(O[4]O[4])(CCCH){2|C<3>,2|H<1>}	90.6829	0.000	1	90.6829	0.000	1	90.9412	0.151	15	90.9412	0.151	15	90.8875	0.250	30	90.7782	0.420	32
226	226	478	4:SP3_SP3_SP3	O[4]	O[4]	C[4,5]	4:2:	4:2:	4:4:2:4:	C[4,5]-4:O[4]-2:	C[4,5]-4:O[4]-2:	C[4,5]-4:C[5]-4:O[4]-2:C-4:	O[4](C[4,5]C[4,5]C[5]C)(O[4]C[4,5])	O[4](C[4,5]C[4,5]C[6a]O[5])(O[4]C[4,5])	C[4,5](C[4,5]C[6a]O[4]O[5])(C[5]C[5]CC)(O[4]O[4])(CCHH)	O[4](C[4,5]C[4,5]C[5]C)(O[4]C[4,5]){1|C<3>,1|O<2>,3|C<4>}	O[4](C[4,5]C[4,5]C[6a]O[5])(O[4]C[4,5]){2|C<3>,3|C<4>}	C[4,5](C[4,5]C[6a]O[4]O[5])(C[5]C[5]CC)(O[4]O[4])(CCHH){2|C<3>,2|H<1>}	90.0224	0.000	1	90.0224	0.000	1	90.9412	0.151	15	90.9412	0.151	15	90.8875	0.250	30	90.7782	0.420	32
226	226	478	4:SP3_SP3_SP3	O[4]	O[4]	C[4,5]	4:2:	4:2:	4:4:2:4:	C[4,5]-4:O[4]-2:	C[4,5]-4:O[4]-2:	C[4,5]-4:C[5]-4:O[4]-2:C-4:	O[4](C[4,5]C[4,5]C[5]C)(O[4]C[4,5])	O[4](C[4,5]C[4,5]C[6a]S[5])(O[4]C[4,5])	C[4,5](C[4,5]C[6a]O[4]S[5])(C[5]C[5]CC)(O[4]O[4])(CC3)	O[4](C[4,5]C[4,5]C[5]C)(O[4]C[4,5]){1|C<3>,1|S<2>,3|C<4>}	O[4](C[4,5]C[4,5]C[6a]S[5])(O[4]C[4,5]){2|C<3>,3|C<4>}	C[4,5](C[4,5]C[6a]O[4]S[5])(C[5]C[5]CC)(O[4]O[4])(CC3){1|H<1>,1|O<2>,2|C<3>}	91.3085	0.000	1	91.1534	0.048	2	90.9412	0.151	15	90.9412	0.151	15	90.8875	0.250	30	90.7782	0.420	32
226	226	478	4:SP3_SP3_SP3	O[4]	O[4]	C[4,5]	4:2:	4:2:	4:4:2:4:	C[4,5]-4:O[4]-2:	C[4,5]-4:O[4]-2:	C[4,5]-4:C[5]-4:O[4]-2:C-4:	O[4](C[4,5]C[4,5]C[5]C)(O[4]C[4,5])	O[4](C[4,5]C[4,5]C[6a]S[5])(O[4]C[4,5])	C[4,5](C[4,5]C[6a]O[4]S[5])(C[5]C[5]CC)(O[4]O[4])(CC3)	O[4](C[4,5]C[4,5]C[5]C)(O[4]C[4,5]){1|C<3>,1|S<4>,3|C<4>}	O[4](C[4,5]C[4,5]C[6a]S[5])(O[4]C[4,5]){2|C<3>,2|O<1>,3|C<4>}	C[4,5](C[4,5]C[6a]O[4]S[5])(C[5]C[5]CC)(O[4]O[4])(CC3){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	90.9983	0.000	1	91.1534	0.048	2	90.9412	0.151	15	90.9412	0.151	15	90.8875	0.250	30	90.7782	0.420	32
226	226	478	4:SP3_SP3_SP3	O[4]	O[4]	C[4,6,6]	4:2:	4:2:	4:4:4:2:	C[4,6,6]-4:O[4]-2:	C[4,6,6]-4:O[4]-2:	C[4,6,6]-4:C[3x6]-4:C[3x6]-4:O[4]-2:	O[4](C[4,6,6]C[4,6,6]C[3x6]2)(O[4]C[4,6,6])	O[4](C[4,6,6]C[4,6,6]C[3x6]2)(O[4]C[4,6,6])	C[4,6,6](C[4,6,6]C[3x6]2O[4])(C[3x6]C[6,6]2H)2(O[4]O[4])	O[4](C[4,6,6]C[4,6,6]C[3x6]2)(O[4]C[4,6,6]){2|H<1>,6|C<4>}	O[4](C[4,6,6]C[4,6,6]C[3x6]2)(O[4]C[4,6,6]){2|H<1>,6|C<4>}	C[4,6,6](C[4,6,6]C[3x6]2O[4])(C[3x6]C[6,6]2H)2(O[4]O[4]){10|H<1>,6|C<4>}	89.1391	0.138	2	89.1391	0.019	2	89.1391	0.019	2	89.1391	0.019	2	89.1391	0.019	2	90.7782	0.420	32
226	386	478	4:SP3_SP-NON_SP3	O[4]	I[4,5]	C[4]	3:4:	3:2:2:	3:2:4:4:	I[4,5]-3:C[4]-4:	C[4,5]-3:O[4]-2:O[5]-2:	C[4,5]-3:O[4]-2:C-4:C-4:	O[4](I[4,5]C[4,5]O[5])(C[4]C[4,5]CC)	I[4,5](C[4,5]C[4]C[5])(O[4]C[4])(O[5]C[5])	C[4](C[4,5]I[4,5]C[5])(O[4]I[4,5])(CF3)2	O[4](I[4,5]C[4,5]O[5])(C[4]C[4,5]CC){1|C<3>,1|C<4>}	I[4,5](C[4,5]C[4]C[5])(O[4]C[4])(O[5]C[5]){1|H<1>,4|C<4>}	C[4](C[4,5]I[4,5]C[5])(O[4]I[4,5])(CF3)2{1|C<4>,1|H<1>,1|O<2>}	96.6865	0.000	1	96.6865	0.000	1	96.6865	0.000	1	96.6865	0.000	1	96.6865	0.000	1	96.6865	0.000	1
226	478	478	4:SP3_SP3_SP3	O[4,5]	C[4,3x5]	C[4,5,5,6,6]	4:4:	4:4:2:3:	4:4:2:1:	C[4,3x5]-4:C[4,5,5,6,6]-4:	C[4,5,5,6,6]-4:C[3x5,6,6]-4:O[4,5]-2:C[6a]-3:	C[4,5,5,6,6]-4:C[5,5,3x6]-4:O[4,5]-2:H-1:	O[4,5](C[4,3x5]C[4,5,5,6,6]C[3x5,6,6]C[6a])(C[4,5,5,6,6]C[4,5,5,6,6]C[5,5,3x6]H)	C[4,3x5](C[4,5,5,6,6]C[4,5,5,6,6]C[5,3x6]H)(C[3x5,6,6]C[5,5,3x6]C[5,6,6]H)(O[4,5]C[4,5,5,6,6])(C[6a]C[6a]2)	C[4,5,5,6,6](C[4,5,5,6,6]C[4,3x5]C[5,3x6]H)(C[5,5,3x6]C[3x5,6,6]C[3,6,6]H)(O[4,5]C[4,3x5])(H)	O[4,5](C[4,3x5]C[4,5,5,6,6]C[3x5,6,6]C[6a])(C[4,5,5,6,6]C[4,5,5,6,6]C[5,5,3x6]H){2|C<3>,3|C<4>,3|H<1>}	C[4,3x5](C[4,5,5,6,6]C[4,5,5,6,6]C[5,3x6]H)(C[3x5,6,6]C[5,5,3x6]C[5,6,6]H)(O[4,5]C[4,5,5,6,6])(C[6a]C[6a]2){2|C<4>,3|C<3>,6|H<1>}	C[4,5,5,6,6](C[4,5,5,6,6]C[4,3x5]C[5,3x6]H)(C[5,5,3x6]C[3x5,6,6]C[3,6,6]H)(O[4,5]C[4,3x5])(H){1|C<3>,3|C<4>,3|H<1>}	83.6481	0.000	1	83.6481	0.000	1	83.6950	0.004	2	83.8548	0.043	4	83.8548	0.043	4	91.4818	4.071	96
226	478	478	4:SP3_SP3_SP3	O[4,5]	C[4,3x5]	C[4,5,5,6,6]	4:4:	4:4:2:3:	4:4:2:1:	C[4,3x5]-4:C[4,5,5,6,6]-4:	C[4,5,5,6,6]-4:C[3x5,6,6]-4:O[4,5]-2:C[6a]-3:	C[4,5,5,6,6]-4:C[5,5,3x6]-4:O[4,5]-2:H-1:	O[4,5](C[4,3x5]C[4,5,5,6,6]C[3x5,6,6]C[6a])(C[4,5,5,6,6]C[4,5,5,6,6]C[5,5,3x6]H)	C[4,3x5](C[4,5,5,6,6]C[4,5,5,6,6]C[5,3x6]H)(C[3x5,6,6]C[5,5,3x6]C[5,6,6]H)(O[4,5]C[4,5,5,6,6])(C[6a]C[6a]2)	C[4,5,5,6,6](C[4,5,5,6,6]C[4,3x5]C[5,3x6]H)(C[5,5,3x6]C[3x5,6,6]C[6,6]H)(O[4,5]C[4,3x5])(H)	O[4,5](C[4,3x5]C[4,5,5,6,6]C[3x5,6,6]C[6a])(C[4,5,5,6,6]C[4,5,5,6,6]C[5,5,3x6]H){2|C<3>,3|C<4>,3|H<1>}	C[4,3x5](C[4,5,5,6,6]C[4,5,5,6,6]C[5,3x6]H)(C[3x5,6,6]C[5,5,3x6]C[5,6,6]H)(O[4,5]C[4,5,5,6,6])(C[6a]C[6a]2){2|C<4>,3|C<3>,6|H<1>}	C[4,5,5,6,6](C[4,5,5,6,6]C[4,3x5]C[5,3x6]H)(C[5,5,3x6]C[3x5,6,6]C[6,6]H)(O[4,5]C[4,3x5])(H){1|C<3>,2|C<4>,4|H<1>}	83.7419	0.000	1	83.7419	0.000	1	83.6950	0.004	2	83.8548	0.043	4	83.8548	0.043	4	91.4818	4.071	96
226	478	478	4:SP3_SP3_SP3	O[4,5]	C[4,3x5]	C[4,5,5,6,6]	4:4:	4:4:2:3:	4:4:2:1:	C[4,3x5]-4:C[4,5,5,6,6]-4:	C[4,5,5,6,6]-4:C[3x5,6,6]-4:O[4,5]-2:C[6a]-3:	C[5,5,3x6]-4:C[4,5,5,6,6]-4:O[4,5]-2:H-1:	O[4,5](C[4,3x5]C[4,5,5,6,6]C[3x5,6,6]C[6a])(C[4,5,5,6,6]C[4,5,5,6,6]C[5,5,3x6]H)	C[4,3x5](C[4,5,5,6,6]C[4,5,5,6,6]C[5,3x6]H)(C[3x5,6,6]C[5,5,3x6]C[5,6,6]H)(O[4,5]C[4,5,5,6,6])(C[6a]C[6a]2)	C[4,5,5,6,6](C[5,5,3x6]C[3x5,6,6]C[4,5,3x6]H)(C[4,5,5,6,6]C[4,3x5]C[5,3x6]H)(O[4,5]C[4,3x5])(H)	O[4,5](C[4,3x5]C[4,5,5,6,6]C[3x5,6,6]C[6a])(C[4,5,5,6,6]C[4,5,5,6,6]C[5,5,3x6]H){2|C<3>,3|C<4>,3|H<1>}	C[4,3x5](C[4,5,5,6,6]C[4,5,5,6,6]C[5,3x6]H)(C[3x5,6,6]C[5,5,3x6]C[5,6,6]H)(O[4,5]C[4,5,5,6,6])(C[6a]C[6a]2){2|C<3>,2|C<4>,7|H<1>}	C[4,5,5,6,6](C[5,5,3x6]C[3x5,6,6]C[4,5,3x6]H)(C[4,5,5,6,6]C[4,3x5]C[5,3x6]H)(O[4,5]C[4,3x5])(H){2|C<3>,2|H<1>,3|C<4>}	84.0146	0.155	2	84.0146	0.024	2	84.0146	0.024	2	83.8548	0.043	4	83.8548	0.043	4	91.4818	4.071	96
226	478	478	4:SP3_SP3_SP3	O[4,5]	C[4,5,5]	C[4,5,5]	4:4:	4:4:2:4:	4:4:2:4:	C[4,5,5]-4:C[4,5,5]-4:	C[5,5,6]-4:C[4,5]-4:O[4,5]-2:C-4:	C[5,5,6]-4:C[4,5]-4:O[4,5]-2:C-4:	O[4,5](C[4,5,5]C[5,5,6]C[4,5]C)2	C[4,5,5](C[5,5,6]C[5,5,6]C[6]H)(C[4,5]C[4,5,5]OO)(O[4,5]C[4,5,5])(CHHO)	C[4,5,5](C[5,5,6]C[5,5,6]C[6]H)(C[4,5]C[4,5,5]OO)(O[4,5]C[4,5,5])(CHHO)	O[4,5](C[4,5,5]C[5,5,6]C[4,5]C)2{2|C<4>,2|H<1>,2|O<2>}	C[4,5,5](C[5,5,6]C[5,5,6]C[6]H)(C[4,5]C[4,5,5]OO)(O[4,5]C[4,5,5])(CHHO){3|C<4>,3|H<1>}	C[4,5,5](C[5,5,6]C[5,5,6]C[6]H)(C[4,5]C[4,5,5]OO)(O[4,5]C[4,5,5])(CHHO){3|C<4>,3|H<1>}	84.7790	0.000	1	84.7790	0.000	1	84.7790	0.000	1	84.7790	0.000	1	84.7790	0.000	1	91.4818	4.071	96
226	478	478	4:SP3_SP3_SP3	O[4,6]	C[4,5,6,6]	C[4,5,6,6]	4:4:	4:4:2:1:	4:4:2:1:	C[4,5,6,6]-4:C[4,5,6,6]-4:	C[4,5,5,6]-4:C[5,6,6]-4:O[4,6]-2:H-1:	C[4,5,5,6]-4:C[5,6,6]-4:O[4,6]-2:H-1:	O[4,6](C[4,5,6,6]C[4,5,5,6]C[5,6,6]H)2	C[4,5,6,6](C[4,5,5,6]C[4,5,6,6]O[5,5]H)(C[5,6,6]C[5,5,6,6]HH)(O[4,6]C[4,5,6,6])(H)	C[4,5,6,6](C[4,5,5,6]C[4,5,6,6]O[5,5]H)(C[5,6,6]C[5,5,6,6]HH)(O[4,6]C[4,5,6,6])(H)	O[4,6](C[4,5,6,6]C[4,5,5,6]C[5,6,6]H)2{1|C<4>,1|O<2>,5|H<1>}	C[4,5,6,6](C[4,5,5,6]C[4,5,6,6]O[5,5]H)(C[5,6,6]C[5,5,6,6]HH)(O[4,6]C[4,5,6,6])(H){1|C<4>,2|H<1>}	C[4,5,6,6](C[4,5,5,6]C[4,5,6,6]O[5,5]H)(C[5,6,6]C[5,5,6,6]HH)(O[4,6]C[4,5,6,6])(H){1|C<4>,2|H<1>}	88.7202	0.000	1	88.7202	0.000	1	88.7202	0.000	1	88.7202	0.000	1	88.7202	0.000	1	91.4818	4.071	96
226	478	478	4:SP3_SP3_SP3	O[4]	C[4,4,6]	C[4]	4:4:	4:4:4:2:	4:2:4:4:	C[4,4,6]-4:C[4]-4:	C[4,6]-4:C[3,4]-4:C[4,6]-4:O[4]-2:	C[4,6]-4:O[4]-2:C-4:C-4:	O[4](C[4,4,6]C[3,4]C[4,6]2)(C[4]C[4,6]CC)	C[4,4,6](C[4,6]C[6,6a]C[4]O)(C[3,4]C[3,4]C[3]2)(C[4,6]C[3,4]C[6]H)(O[4]C[4])	C[4](C[4,6]C[4,4,6]C[6,6a]O)(O[4]C[4,4,6])(CH3)2	O[4](C[4,4,6]C[3,4]C[4,6]2)(C[4]C[4,6]CC){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[4,4,6](C[4,6]C[6,6a]C[4]O)(C[3,4]C[3,4]C[3]2)(C[4,6]C[3,4]C[6]H)(O[4]C[4]){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	C[4](C[4,6]C[4,4,6]C[6,6a]O)(O[4]C[4,4,6])(CH3)2{2|C<3>,2|C<4>}	92.5290	0.276	2	92.5290	0.076	2	92.5290	0.076	2	92.5290	0.076	2	92.5290	0.076	2	91.4818	4.071	96
226	478	478	4:SP3_SP3_SP3	O[4]	C[4,4]	C[4]	4:4:	4:4:4:2:	4:2:1:1:	C[4,4]-4:C[4]-4:	C[4]-4:C[4]-4:C[4]-4:O[4]-2:	C[4]-4:O[4]-2:H-1:H-1:	O[4](C[4,4]C[4]3)(C[4]C[4]HH)	C[4,4](C[4]C[4]HO)(C[4]N[4]HH)2(O[4]C[4])	C[4](C[4]C[4,4]HO)(O[4]C[4,4])(H)2	O[4](C[4,4]C[4]3)(C[4]C[4]HH){1|N<3>,1|O<2>,5|H<1>}	C[4,4](C[4]C[4]HO)(C[4]N[4]HH)2(O[4]C[4]){1|S<4>,2|H<1>}	C[4](C[4]C[4,4]HO)(O[4]C[4,4])(H)2{2|C<4>}	91.2574	0.000	1	91.2574	0.000	1	91.2574	0.000	1	91.2574	0.000	1	91.2574	0.000	1	91.4818	4.071	96
226	478	478	4:SP3_SP3_SP3	O[4]	C[4,5,5,6]	C[4]	4:4:	4:4:2:2:	4:2:1:1:	C[4,5,5,6]-4:C[4]-4:	C[3x5,6]-4:C[4,5,6]-4:O[4]-2:O[5]-2:	C[4,5,6]-4:O[4]-2:H-1:H-1:	O[4](C[4,5,5,6]C[3x5,6]C[4,5,6]O[5])(C[4]C[4,5,6]HH)	C[4,5,5,6](C[3x5,6]C[5,5,6]C[5,5]Br)(C[4,5,6]C[5,5,6]C[4]O)(O[4]C[4])(O[5]C[5])	C[4](C[4,5,6]C[4,5,5,6]C[5,5,6]O)(O[4]C[4,5,5,6])(H)2	O[4](C[4,5,5,6]C[3x5,6]C[4,5,6]O[5])(C[4]C[4,5,6]HH){1|Br<1>,1|O<2>,4|C<4>}	C[4,5,5,6](C[3x5,6]C[5,5,6]C[5,5]Br)(C[4,5,6]C[5,5,6]C[4]O)(O[4]C[4])(O[5]C[5]){1|Br<1>,2|O<2>,3|C<4>,3|H<1>}	C[4](C[4,5,6]C[4,5,5,6]C[5,5,6]O)(O[4]C[4,5,5,6])(H)2{1|Br<1>,1|O<2>,3|C<4>}	92.6051	0.000	1	92.6051	0.000	1	92.6051	0.000	1	92.6051	0.000	1	92.6051	0.000	1	91.4818	4.071	96
226	478	478	4:SP3_SP3_SP3	O[4]	C[4,5,6]	C[4]	4:4:	4:4:3:2:	4:2:1:1:	C[4,5,6]-4:C[4]-4:	C[3,5,6]-4:C[4,5,6]-4:C[6]-3:O[4]-2:	C[4,5,6]-4:O[4]-2:H-1:H-1:	O[4](C[4,5,6]C[3,5,6]C[4,5,6]C[6])(C[4]C[4,5,6]HH)	C[4,5,6](C[3,5,6]C[3,6]C[5]O[3])(C[4,5,6]C[5,6]C[4]C[6])(C[6]C[6]H)(O[4]C[4])	C[4](C[4,5,6]C[4,5,6]C[5,6]C[6])(O[4]C[4,5,6])(H)2	O[4](C[4,5,6]C[3,5,6]C[4,5,6]C[6])(C[4]C[4,5,6]HH){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[4,5,6](C[3,5,6]C[3,6]C[5]O[3])(C[4,5,6]C[5,6]C[4]C[6])(C[6]C[6]H)(O[4]C[4]){1|C<3>,3|C<4>,8|H<1>}	C[4](C[4,5,6]C[4,5,6]C[5,6]C[6])(O[4]C[4,5,6])(H)2{1|C<3>,3|H<1>,4|C<4>}	91.6238	0.237	3	91.6238	0.056	3	91.6238	0.056	3	91.6238	0.056	3	91.6238	0.056	3	91.4818	4.071	96
226	478	478	4:SP3_SP3_SP3	O[4]	C[4,5]	C[4,5,6]	4:4:	4:3:2:3:	4:3:2:2:	C[4,5]-4:C[4,5,6]-4:	C[4,5,6]-4:C[5,6a]-3:O[4]-2:C[5]-3:	C[4,5,6]-4:N[5]-3:O[4]-2:O[6]-2:	O[4](C[4,5]C[4,5,6]C[5,6a]C[5])(C[4,5,6]C[4,5,6]N[5]O[6])	C[4,5](C[4,5,6]C[4,5,6]C[5,6a]O[6])(C[5,6a]C[5,6a]C[6a])(O[4]C[4,5,6])(C[5]N[5]O)	C[4,5,6](C[4,5,6]C[5,6a]C[4,5]O[6])(N[5]C[5,6a]C)(O[4]C[4,5])(O[6]C[3,6])	O[4](C[4,5]C[4,5,6]C[5,6a]C[5])(C[4,5,6]C[4,5,6]N[5]O[6]){1|C<4>,1|N<3>,1|O<1>,1|O<2>,5|C<3>}	C[4,5](C[4,5,6]C[4,5,6]C[5,6a]O[6])(C[5,6a]C[5,6a]C[6a])(O[4]C[4,5,6])(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,1|O<2>,5|C<3>}	C[4,5,6](C[4,5,6]C[5,6a]C[4,5]O[6])(N[5]C[5,6a]C)(O[4]C[4,5])(O[6]C[3,6]){3|C<4>,4|C<3>}	92.0510	0.000	1	92.0510	0.000	1	92.0510	0.000	1	92.0510	0.000	1	91.5872	0.430	2	91.4818	4.071	96
226	478	478	4:SP3_SP3_SP3	O[4]	C[4,5]	C[4,5,6]	4:4:	4:3:2:3:	4:4:2:1:	C[4,5,6]-4:C[4,5]-4:	C[4,5,6]-4:C[5,6a]-3:O[4]-2:C[5]-3:	C[5,5,6]-4:C[4,5,6]-4:O[4]-2:H-1:	O[4](C[4,5,6]C[4,5,6]C[5,5,6]H)(C[4,5]C[4,5,6]C[5,6a]C[5])	C[4,5](C[4,5,6]C[4,5,6]C[5,5,6]H)(C[5,6a]C[5,6a]C[6a])(O[4]C[4,5,6])(C[5]N[5]O)	C[4,5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[4,5,6]C[5,5,6]C[4,5]H)(O[4]C[4,5])(H)	O[4](C[4,5,6]C[4,5,6]C[5,5,6]H)(C[4,5]C[4,5,6]C[5,6a]C[5]){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[4,5](C[4,5,6]C[4,5,6]C[5,5,6]H)(C[5,6a]C[5,6a]C[6a])(O[4]C[4,5,6])(C[5]N[5]O){1|C<4>,3|H<1>,5|C<3>}	C[4,5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[4,5,6]C[5,5,6]C[4,5]H)(O[4]C[4,5])(H){1|H<1>,5|C<3>}	91.1233	0.000	1	91.1233	0.000	1	91.1233	0.000	1	91.1233	0.000	1	91.5872	0.430	2	91.4818	4.071	96
226	478	478	4:SP3_SP3_SP3	O[4]	C[4,5]	C[4,5]	4:4:	3:4:2:3:	4:2:2:1:	C[4,5]-4:C[4,5]-4:	C[5,6a]-3:C[4,5]-4:O[4]-2:C[5]-3:	C[4,5]-4:O[4]-2:O[5]-2:H-1:	O[4](C[4,5]C[5,6a]C[4,5]C[5])(C[4,5]C[4,5]O[5]H)	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]2H)(O[4]C[4,5])(C[5]N[5]O)	C[4,5](C[4,5]C[4,5]2H)(O[4]C[4,5])(O[5]C[4,5])(H)	O[4](C[4,5]C[5,6a]C[4,5]C[5])(C[4,5]C[4,5]O[5]H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]2H)(O[4]C[4,5])(C[5]N[5]O){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[4,5](C[4,5]C[4,5]2H)(O[4]C[4,5])(O[5]C[4,5])(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	92.9311	0.000	1	92.9311	0.000	1	92.6069	0.210	2	92.6744	0.119	3	92.9894	0.195	12	91.4818	4.071	96
226	478	478	4:SP3_SP3_SP3	O[4]	C[4,5]	C[4,5]	4:4:	3:4:2:3:	4:2:2:1:	C[4,5]-4:C[4,5]-4:	C[5,6a]-3:C[4,5]-4:O[4]-2:C[5]-3:	C[4,5]-4:O[4]-2:O[5]-2:H-1:	O[4](C[4,5]C[5,6a]C[4,5]C[5])(C[4,5]C[4,5]O[5]H)	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]C[5]H)(O[4]C[4,5])(C[5]N[5]O)	C[4,5](C[4,5]C[4,5]C[5]H)(O[4]C[4,5])(O[5]C[5])(H)	O[4](C[4,5]C[5,6a]C[4,5]C[5])(C[4,5]C[4,5]O[5]H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]C[5]H)(O[4]C[4,5])(C[5]N[5]O){1|O<2>,3|H<1>,4|C<3>}	C[4,5](C[4,5]C[4,5]C[5]H)(O[4]C[4,5])(O[5]C[5])(H){2|C<3>,2|H<1>}	92.2827	0.000	1	92.2827	0.000	1	92.6069	0.210	2	92.6744	0.119	3	92.9894	0.195	12	91.4818	4.071	96
226	478	478	4:SP3_SP3_SP3	O[4]	C[4,5]	C[4,5]	4:4:	3:4:2:3:	4:2:2:1:	C[4,5]-4:C[4,5]-4:	C[5,6a]-3:C[4,5]-4:O[4]-2:C[5]-3:	C[4,5]-4:O[4]-2:S[5]-2:H-1:	O[4](C[4,5]C[5,6a]C[4,5]C[5])(C[4,5]C[4,5]S[5]H)	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]N[5]H)(O[4]C[4,5])(C[5]N[5]O)	C[4,5](C[4,5]C[4,5]N[5]H)(O[4]C[4,5])(S[5]C[5])(H)	O[4](C[4,5]C[5,6a]C[4,5]C[5])(C[4,5]C[4,5]S[5]H){1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<3>}	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]N[5]H)(O[4]C[4,5])(C[5]N[5]O){1|S<2>,2|H<1>,4|C<3>}	C[4,5](C[4,5]C[4,5]N[5]H)(O[4]C[4,5])(S[5]C[5])(H){3|C<3>}	92.8094	0.000	1	92.8094	0.000	1	92.8094	0.000	1	92.6744	0.119	3	92.9894	0.195	12	91.4818	4.071	96
226	478	478	4:SP3_SP3_SP3	O[4]	C[4,5]	C[4,5]	4:4:	3:4:2:3:	4:3:2:2:	C[4,5]-4:C[4,5]-4:	C[5,6a]-3:C[4,5]-4:O[4]-2:C[5]-3:	C[4,5]-4:C[6a]-3:O[4]-2:O[5]-2:	O[4](C[4,5]C[5,6a]C[4,5]C[5])(C[4,5]C[4,5]C[6a]O[5])	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]N[5]H)(O[4]C[4,5])(C[5]N[5]O)	C[4,5](C[4,5]C[4,5]N[5]H)(C[6a]C[6a]2)(O[4]C[4,5])(O[5]C[5])	O[4](C[4,5]C[5,6a]C[4,5]C[5])(C[4,5]C[4,5]C[6a]O[5]){1|H<1>,1|N<2>,1|N<3>,1|O<1>,5|C<3>}	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]N[5]H)(O[4]C[4,5])(C[5]N[5]O){1|H<1>,1|O<2>,5|C<3>}	C[4,5](C[4,5]C[4,5]N[5]H)(C[6a]C[6a]2)(O[4]C[4,5])(O[5]C[5]){2|H<1>,5|C<3>}	92.9064	0.133	2	92.9064	0.018	2	92.9064	0.018	2	92.9064	0.018	2	92.9894	0.195	12	91.4818	4.071	96
226	478	478	4:SP3_SP3_SP3	O[4]	C[4,5]	C[4,5]	4:4:	3:4:2:3:	4:4:2:1:	C[4,5]-4:C[4,5]-4:	C[5,6a]-3:C[4,5]-4:O[4]-2:C[5]-3:	C[4,5]-4:C[4,5]-4:O[4]-2:H-1:	O[4](C[4,5]C[5,6a]C[4,5]C[5])(C[4,5]C[4,5]2H)	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]O[5]H)(O[4]C[4,5])(C[5]N[5]O)	C[4,5](C[4,5]C[4,5]O[5]H)(C[4,5]C[4,5]2H)(O[4]C[4,5])(H)	O[4](C[4,5]C[5,6a]C[4,5]C[5])(C[4,5]C[4,5]2H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]O[5]H)(O[4]C[4,5])(C[5]N[5]O){2|C<4>,2|H<1>,3|C<3>}	C[4,5](C[4,5]C[4,5]O[5]H)(C[4,5]C[4,5]2H)(O[4]C[4,5])(H){1|H<1>,1|O<2>,4|C<3>}	93.1210	0.000	1	93.1210	0.000	1	93.1210	0.000	1	93.1210	0.000	1	92.9894	0.195	12	91.4818	4.071	96
226	478	478	4:SP3_SP3_SP3	O[4]	C[4,5]	C[4,5]	4:4:	4:3:2:3:	4:2:2:1:	C[4,5]-4:C[4,5]-4:	C[4,5]-4:C[5,6a]-3:O[4]-2:C[5]-3:	C[4,5]-4:O[4]-2:O[5]-2:H-1:	O[4](C[4,5]C[5,6a]C[4,5]C[5])(C[4,5]C[4,5]O[5]H)	C[4,5](C[4,5]C[4,5]C[6a]N[5])(C[5,6a]C[5,6a]C[6a])(O[4]C[4,5])(C[5]N[5]O)	C[4,5](C[4,5]C[4,5]C[6a]N[5])(O[4]C[4,5])(O[5]C[5])(H)	O[4](C[4,5]C[5,6a]C[4,5]C[5])(C[4,5]C[4,5]O[5]H){1|N<2>,1|N<3>,1|O<1>,4|C<3>}	C[4,5](C[4,5]C[4,5]C[6a]N[5])(C[5,6a]C[5,6a]C[6a])(O[4]C[4,5])(C[5]N[5]O){1|O<2>,2|H<1>,6|C<3>}	C[4,5](C[4,5]C[4,5]C[6a]N[5])(O[4]C[4,5])(O[5]C[5])(H){1|C<4>,4|C<3>}	93.5709	0.000	1	93.5709	0.000	1	93.5709	0.000	1	93.5709	0.000	1	92.9894	0.195	12	91.4818	4.071	96
226	478	478	4:SP3_SP3_SP3	O[4]	C[4,5]	C[4,5]	4:4:	4:3:2:3:	4:3:2:1:	C[4,5]-4:C[4,5]-4:	C[4,5]-4:C[5,6a]-3:O[4]-2:C[5]-3:	C[4,5]-4:N[5]-3:O[4]-2:H-1:	O[4](C[4,5]C[5,6a]C[4,5]C[5])(C[4,5]C[4,5]N[5]H)	C[4,5](C[4,5]C[5,6a]C[4,5]O)(C[5,6a]C[5,6a]C[6a])(O[4]C[4,5])(C[5]N[5]O)	C[4,5](C[4,5]C[5,6a]C[4,5]O)(N[5]C[5,6a]C)(O[4]C[4,5])(H)	O[4](C[4,5]C[5,6a]C[4,5]C[5])(C[4,5]C[4,5]N[5]H){1|N<3>,1|O<1>,1|O<2>,5|C<3>}	C[4,5](C[4,5]C[5,6a]C[4,5]O)(C[5,6a]C[5,6a]C[6a])(O[4]C[4,5])(C[5]N[5]O){1|N<3>,2|H<1>,5|C<3>}	C[4,5](C[4,5]C[5,6a]C[4,5]O)(N[5]C[5,6a]C)(O[4]C[4,5])(H){4|C<3>}	92.7518	0.124	3	92.7518	0.015	3	92.7518	0.015	3	92.7518	0.015	3	92.9894	0.195	12	91.4818	4.071	96
226	478	478	4:SP3_SP3_SP3	O[4]	C[4,5]	C[4,5]	4:4:	4:3:2:3:	4:3:2:2:	C[4,5]-4:C[4,5]-4:	C[4,5]-4:C[5,6a]-3:O[4]-2:C[5]-3:	C[4,5]-4:C[6a]-3:O[5]-2:O[4]-2:	O[4](C[4,5]C[5,6a]C[4,5]C[5])(C[4,5]C[4,5]C[6a]O[5])	C[4,5](C[4,5]C[5,6a]C[4,5]H)(C[5,6a]C[5,6a]C[6a])(O[4]C[4,5])(C[5]N[5]O)	C[4,5](C[4,5]C[5,6a]C[4,5]H)(C[6a]C[6a]2)(O[5]C[5,6a])(O[4]C[4,5])	O[4](C[4,5]C[5,6a]C[4,5]C[5])(C[4,5]C[4,5]C[6a]O[5]){1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[4,5](C[4,5]C[5,6a]C[4,5]H)(C[5,6a]C[5,6a]C[6a])(O[4]C[4,5])(C[5]N[5]O){1|H<1>,1|O<2>,6|C<3>}	C[4,5](C[4,5]C[5,6a]C[4,5]H)(C[6a]C[6a]2)(O[5]C[5,6a])(O[4]C[4,5]){2|H<1>,6|C<3>}	93.0973	0.000	1	93.0973	0.000	1	93.0973	0.000	1	93.5448	0.401	2	92.9894	0.195	12	91.4818	4.071	96
226	478	478	4:SP3_SP3_SP3	O[4]	C[4,5]	C[4,5]	4:4:	4:3:2:3:	4:3:2:2:	C[4,5]-4:C[4,5]-4:	C[4,5]-4:C[5,6a]-3:O[4]-2:C[5]-3:	C[4,5]-4:N[5]-3:O[4]-2:O-2:	O[4](C[4,5]C[5,6a]C[4,5]C[5])(C[4,5]C[4,5]N[5]O)	C[4,5](C[4,5]C[5,6a]C[4,5]O)(C[5,6a]C[5,6a]C[6a])(O[4]C[4,5])(C[5]N[5]O)	C[4,5](C[4,5]C[5,6a]C[4,5]O)(N[5]C[5,6a]C)(O[4]C[4,5])(OC[5])	O[4](C[4,5]C[5,6a]C[4,5]C[5])(C[4,5]C[4,5]N[5]O){1|N<3>,1|O<1>,1|O<2>,5|C<3>}	C[4,5](C[4,5]C[5,6a]C[4,5]O)(C[5,6a]C[5,6a]C[6a])(O[4]C[4,5])(C[5]N[5]O){1|H<1>,1|N<3>,1|O<2>,5|C<3>}	C[4,5](C[4,5]C[5,6a]C[4,5]O)(N[5]C[5,6a]C)(O[4]C[4,5])(OC[5]){4|C<3>}	93.9924	0.000	1	93.9924	0.000	1	93.9924	0.000	1	93.5448	0.401	2	92.9894	0.195	12	91.4818	4.071	96
226	478	478	4:SP3_SP3_SP3	O[4]	C[4,5]	C[4,6,6]	4:4:	4:4:2:3:	4:4:2:1:	C[4,5]-4:C[4,6,6]-4:	C[4,5,6,6]-4:C[5]-4:O[4]-2:C[6a]-3:	C[4,5,6,6]-4:C[3x6]-4:O[4]-2:H-1:	O[4](C[4,5]C[4,5,6,6]C[6a]C[5])(C[4,6,6]C[4,5,6,6]C[3x6]H)	C[4,5](C[4,5,6,6]C[4,6,6]C[5,3x6]H)(C[5]C[5,6,6]HH)(O[4]C[4,6,6])(C[6a]C[6a]2)	C[4,6,6](C[4,5,6,6]C[5,3x6]C[4,5]H)(C[3x6]C[6,6]2H)(O[4]C[4,5])(H)	O[4](C[4,5]C[4,5,6,6]C[6a]C[5])(C[4,6,6]C[4,5,6,6]C[3x6]H){2|C<3>,4|C<4>,4|H<1>}	C[4,5](C[4,5,6,6]C[4,6,6]C[5,3x6]H)(C[5]C[5,6,6]HH)(O[4]C[4,6,6])(C[6a]C[6a]2){2|C<3>,3|C<4>,5|H<1>}	C[4,6,6](C[4,5,6,6]C[5,3x6]C[4,5]H)(C[3x6]C[6,6]2H)(O[4]C[4,5])(H){2|C<3>,3|C<4>,4|H<1>}	90.5419	0.000	1	90.5419	0.000	1	90.5419	0.000	1	90.5419	0.000	1	90.5419	0.000	1	91.4818	4.071	96
226	478	478	4:SP3_SP3_SP3	O[4]	C[4,5]	C[4]	4:4:	3:4:3:2:	4:2:1:1:	C[4,5]-4:C[4]-4:	C[5,6a]-3:C[4]-4:C[5]-3:O[4]-2:	C[4]-4:O[4]-2:H-1:H-1:	O[4](C[4,5]C[5,6a]C[4]C[5])(C[4]C[4]HH)	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4]C[4]HO)(C[5]N[5]O)(O[4]C[4])	C[4](C[4]C[4,5]HO)(O[4]C[4,5])(H)2	O[4](C[4,5]C[5,6a]C[4]C[5])(C[4]C[4]HH){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4]C[4]HO)(C[5]N[5]O)(O[4]C[4]){3|C<3>,3|H<1>}	C[4](C[4]C[4,5]HO)(O[4]C[4,5])(H)2{2|C<3>}	92.6045	0.000	1	92.6045	0.000	1	92.4110	0.075	2	92.4110	0.075	2	91.6508	1.117	7	91.4818	4.071	96
226	478	478	4:SP3_SP3_SP3	O[4]	C[4,5]	C[4]	4:4:	3:4:3:2:	4:2:1:1:	C[4,5]-4:C[4]-4:	C[5,6a]-3:C[4]-4:C[5]-3:O[4]-2:	C[4]-4:O[4]-2:H-1:H-1:	O[4](C[4,5]C[5,6a]C[4]C[5])(C[4]C[4]HH)	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4]C[6a]C[4]Cl)(C[5]N[5]O)(O[4]C[4])	C[4](C[4]C[4,5]C[6a]Cl)(O[4]C[4,5])(H)2	O[4](C[4,5]C[5,6a]C[4]C[5])(C[4]C[4]HH){1|Cl<1>,1|N<3>,1|O<1>,3|C<3>}	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4]C[6a]C[4]Cl)(C[5]N[5]O)(O[4]C[4]){3|H<1>,5|C<3>}	C[4](C[4]C[4,5]C[6a]Cl)(O[4]C[4,5])(H)2{4|C<3>}	92.2175	0.000	1	92.2175	0.000	1	92.4110	0.075	2	92.4110	0.075	2	91.6508	1.117	7	91.4818	4.071	96
226	478	478	4:SP3_SP3_SP3	O[4]	C[4,5]	C[4]	4:4:	4:3:2:2:	4:2:4:1:	C[4,5]-4:C[4]-4:	C[4]-4:C[5]-3:O[4]-2:O[5]-2:	C[4]-4:O[4]-2:C-4:H-1:	O[4](C[4,5]C[4]C[5]O[5])(C[4]C[4]CH)	C[4,5](C[4]C[4]HO)(C[5]C[5]H)(O[4]C[4])(O[5]C[5])	C[4](C[4]C[4,5]HO)(O[4]C[4,5])(CCHH)(H)	O[4](C[4,5]C[4]C[5]O[5])(C[4]C[4]CH){1|O<2>,2|C<3>,2|H<1>}	C[4,5](C[4]C[4]HO)(C[5]C[5]H)(O[4]C[4])(O[5]C[5]){1|C<4>,1|O<1>,2|H<1>}	C[4](C[4]C[4,5]HO)(O[4]C[4,5])(CCHH)(H){1|C<3>,1|O<2>}	92.1521	0.436	2	92.1521	0.190	2	92.1521	0.190	2	92.1521	0.190	2	91.6508	1.117	7	91.4818	4.071	96
226	478	478	4:SP3_SP3_SP3	O[4]	C[4,5]	C[4]	4:4:	4:4:2:1:	4:2:1:1:	C[4,5]-4:C[4]-4:	C[4,5]-4:C[5]-4:O[4]-2:H-1:	C[4,5]-4:O[4]-2:H-1:H-1:	O[4](C[4,5]C[4,5]C[5]H)(C[4]C[4,5]HH)	C[4,5](C[4,5]N[5a]C[4]O[5])(C[5]C[5]HO)(O[4]C[4])(H)	C[4](C[4,5]C[4,5]N[5a]O[5])(O[4]C[4,5])(H)2	O[4](C[4,5]C[4,5]C[5]H)(C[4]C[4,5]HH){1|C<4>,1|H<1>,1|N<3>,2|O<2>}	C[4,5](C[4,5]N[5a]C[4]O[5])(C[5]C[5]HO)(O[4]C[4])(H){1|C<4>,2|C<3>,3|H<1>}	C[4](C[4,5]C[4,5]N[5a]O[5])(O[4]C[4,5])(H)2{1|H<1>,2|C<3>,2|C<4>}	91.8143	0.000	1	91.8143	0.000	1	91.8143	0.000	1	91.8143	0.000	1	91.6508	1.117	7	91.4818	4.071	96
226	478	478	4:SP3_SP3_SP3	O[4]	C[4,5]	C[4]	4:4:	4:4:4:2:	4:4:2:1:	C[4,5]-4:C[4]-4:	C[5,6]-4:C[4]-4:C[5]-4:O[4]-2:	C[5]-4:C[4]-4:O[4]-2:H-1:	O[4](C[4,5]C[5,6]C[4]C[5])(C[4]C[4]C[5]H)	C[4,5](C[5,6]C[5,6]C[6]C)(C[4]C[4]HH)(C[5]C[5]HH)(O[4]C[4])	C[4](C[5]C[5]N[5]H)(C[4]C[4,5]HH)(O[4]C[4,5])(H)	O[4](C[4,5]C[5,6]C[4]C[5])(C[4]C[4]C[5]H){1|N<3>,5|C<4>,5|H<1>}	C[4,5](C[5,6]C[5,6]C[6]C)(C[4]C[4]HH)(C[5]C[5]HH)(O[4]C[4]){3|C<4>,6|H<1>}	C[4](C[5]C[5]N[5]H)(C[4]C[4,5]HH)(O[4]C[4,5])(H){1|C<3>,2|H<1>,4|C<4>}	90.3075	1.068	2	90.3075	1.141	2	90.3075	1.141	2	90.3075	1.141	2	91.6508	1.117	7	91.4818	4.071	96
226	478	478	4:SP3_SP3_SP3	O[4]	C[4,6]	C[4,5]	4:4:	3:4:2:3:	4:2:2:2:	C[4,6]-4:C[4,5]-4:	C[6,6a]-3:C[4,5]-4:O[4]-2:C[6]-3:	C[4,5]-4:O[4]-2:O[5]-2:O-2:	O[4](C[4,6]C[6,6a]C[4,5]C[6])(C[4,5]C[4,5]O[5]O)	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,5]C[4,5]N[5]C)(O[4]C[4,5])(C[6]N[6]O)	C[4,5](C[4,5]C[4,6]N[5]C)(O[4]C[4,6])(O[5]C[5])(OC)	O[4](C[4,6]C[6,6a]C[4,5]C[6])(C[4,5]C[4,5]O[5]O){1|C<4>,1|N<2>,1|N<3>,1|O<1>,3|C<3>}	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,5]C[4,5]N[5]C)(O[4]C[4,5])(C[6]N[6]O){1|C<4>,1|H<1>,2|O<2>,4|C<3>}	C[4,5](C[4,5]C[4,6]N[5]C)(O[4]C[4,6])(O[5]C[5])(OC){1|C<4>,2|C<3>}	93.0271	0.341	4	93.0176	0.088	5	93.0176	0.088	5	93.0176	0.088	5	93.1157	0.128	6	91.4818	4.071	96
226	478	478	4:SP3_SP3_SP3	O[4]	C[4,6]	C[4,5]	4:4:	3:4:2:3:	4:2:2:2:	C[4,6]-4:C[4,5]-4:	C[6,6a]-3:C[4,5]-4:O[4]-2:C[6]-3:	C[4,5]-4:O[4]-2:O[5]-2:O-2:	O[4](C[4,6]C[6,6a]C[4,5]C[6])(C[4,5]C[4,5]O[5]O)	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,5]C[4,5]N[5]C)(O[4]C[4,5])(C[6]N[6]O)	C[4,5](C[4,5]C[4,6]N[5]C)(O[4]C[4,6])(O[5]C[5])(OC)	O[4](C[4,6]C[6,6a]C[4,5]C[6])(C[4,5]C[4,5]O[5]O){1|C<4>,1|N<2>,1|N<3>,1|O<1>,3|C<3>}	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,5]C[4,5]N[5]C)(O[4]C[4,5])(C[6]N[6]O){1|C<4>,1|H<1>,2|O<2>,4|C<3>}	C[4,5](C[4,5]C[4,6]N[5]C)(O[4]C[4,6])(O[5]C[5])(OC){3|C<3>}	92.9798	0.000	1	93.0176	0.088	5	93.0176	0.088	5	93.0176	0.088	5	93.1157	0.128	6	91.4818	4.071	96
226	478	478	4:SP3_SP3_SP3	O[4]	C[4,6]	C[4,5]	4:4:	3:4:3:2:	4:3:2:2:	C[4,6]-4:C[4,5]-4:	C[6,6a]-3:C[4,5]-4:C[6]-3:O[4]-2:	C[4,5]-4:C[6a]-3:O[4]-2:O[5]-2:	O[4](C[4,6]C[6,6a]C[4,5]C[6])(C[4,5]C[4,5]C[6a]O[5])	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,5]C[4,5]N[5]H)(C[6]C[6,6a]O)(O[4]C[4,5])	C[4,5](C[4,5]C[4,6]N[5]H)(C[6a]C[6a]2)(O[4]C[4,6])(O[5]C[5])	O[4](C[4,6]C[6,6a]C[4,5]C[6])(C[4,5]C[4,5]C[6a]O[5]){1|H<1>,1|N<2>,1|O<1>,6|C<3>}	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,5]C[4,5]N[5]H)(C[6]C[6,6a]O)(O[4]C[4,5]){1|H<1>,1|O<2>,6|C<3>}	C[4,5](C[4,5]C[4,6]N[5]H)(C[6a]C[6a]2)(O[4]C[4,6])(O[5]C[5]){2|H<1>,5|C<3>}	93.6057	0.000	1	93.6057	0.000	1	93.6057	0.000	1	93.6057	0.000	1	93.1157	0.128	6	91.4818	4.071	96
226	478	478	4:SP3_SP3_SP3	O[4]	C[4,6]	C[4]	4:4:	3:4:2:4:	4:2:4:4:	C[4,6]-4:C[4]-4:	C[6,6a]-3:C[4,6]-4:O[4]-2:C-4:	C[4,6]-4:O[4]-2:C-4:C-4:	O[4](C[4,6]C[6,6a]C[4,6]C)(C[4]C[4,6]CC)	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[6,6a]C[4]H)(O[4]C[4])(CF3)	C[4](C[4,6]C[6,6a]C[4,6]H)(O[4]C[4,6])(CH3)2	O[4](C[4,6]C[6,6a]C[4,6]C)(C[4]C[4,6]CC){1|H<1>,3|C<3>}	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[6,6a]C[4]H)(O[4]C[4])(CF3){1|H<1>,2|C<4>,4|C<3>}	C[4](C[4,6]C[6,6a]C[4,6]H)(O[4]C[4,6])(CH3)2{1|C<4>,3|C<3>}	91.4494	0.000	1	91.4494	0.000	1	91.4494	0.000	1	91.4494	0.000	1	91.4499	0.266	13	91.4818	4.071	96
226	478	478	4:SP3_SP3_SP3	O[4]	C[4,6]	C[4]	4:4:	4:4:2:1:	4:2:1:1:	C[4,6]-4:C[4]-4:	C[4,6]-4:C[6]-4:O[4]-2:H-1:	C[4,6]-4:O[4]-2:H-1:H-1:	O[4](C[4,6]C[4,6]C[6]H)(C[4]C[4,6]HH)	C[4,6](C[4,6]C[4]C[6]O)(C[6]C[6]HH)(O[4]C[4])(H)	C[4](C[4,6]C[4,6]C[6]O)(O[4]C[4,6])(H)2	O[4](C[4,6]C[4,6]C[6]H)(C[4]C[4,6]HH){1|O<2>,2|C<4>,2|H<1>}	C[4,6](C[4,6]C[4]C[6]O)(C[6]C[6]HH)(O[4]C[4])(H){1|F<1>,2|C<4>,4|H<1>}	C[4](C[4,6]C[4,6]C[6]O)(O[4]C[4,6])(H)2{2|H<1>,3|C<4>}	91.5036	0.451	2	91.4427	0.319	11	91.4427	0.319	11	91.4427	0.319	11	91.4499	0.266	13	91.4818	4.071	96
226	478	478	4:SP3_SP3_SP3	O[4]	C[4,6]	C[4]	4:4:	4:4:2:1:	4:2:1:1:	C[4,6]-4:C[4]-4:	C[4,6]-4:C[6]-4:O[4]-2:H-1:	C[4,6]-4:O[4]-2:H-1:H-1:	O[4](C[4,6]C[4,6]C[6]H)(C[4]C[4,6]HH)	C[4,6](C[4,6]C[4]C[6]O)(C[6]C[6]HH)(O[4]C[4])(H)	C[4](C[4,6]C[4,6]C[6]O)(O[4]C[4,6])(H)2	O[4](C[4,6]C[4,6]C[6]H)(C[4]C[4,6]HH){1|O<2>,2|C<4>,2|H<1>}	C[4,6](C[4,6]C[4]C[6]O)(C[6]C[6]HH)(O[4]C[4])(H){1|O<2>,2|C<4>,4|H<1>}	C[4](C[4,6]C[4,6]C[6]O)(O[4]C[4,6])(H)2{2|H<1>,3|C<4>}	91.4292	0.610	9	91.4427	0.319	11	91.4427	0.319	11	91.4427	0.319	11	91.4499	0.266	13	91.4818	4.071	96
226	478	478	4:SP3_SP3_SP3	O[4]	C[4,6]	C[4]	4:4:	4:4:3:2:	4:2:1:1:	C[4,6]-4:C[4]-4:	C[5,6,6]-4:C[4]-4:C[6]-3:O[4]-2:	C[4]-4:O[4]-2:H-1:H-1:	O[4](C[4,6]C[5,6,6]C[4]C[6])(C[4]C[4]HH)	C[4,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[4]C[4]HH)(C[6]C[6]H)(O[4]C[4])	C[4](C[4]C[4,6]HH)(O[4]C[4,6])(H)2	O[4](C[4,6]C[5,6,6]C[4]C[6])(C[4]C[4]HH){1|C<3>,2|C<4>,4|H<1>}	C[4,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[4]C[4]HH)(C[6]C[6]H)(O[4]C[4]){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[4](C[4]C[4,6]HH)(O[4]C[4,6])(H)2{1|C<3>,1|C<4>}	91.5297	0.000	1	91.5297	0.000	1	91.5297	0.000	1	91.5297	0.000	1	91.4499	0.266	13	91.4818	4.071	96
226	478	478	4:SP3_SP3_SP3	O[4]	C[4]	C[4,5]	4:4:	4:3:2:3:	4:2:2:4:	C[4,5]-4:C[4]-4:	C[4,5]-4:C[6a]-3:O[4]-2:C-3:	C[4,5]-4:O[4]-2:O[5]-2:C-4:	O[4](C[4,5]C[4,5]O[5]C)(C[4]C[4,5]C[6a]C)	C[4](C[4,5]C[4,5]C[5]H)(C[6a]C[6a]2)(O[4]C[4,5])(COO)	C[4,5](C[4,5]C[4]C[5]H)(O[4]C[4])(O[5]C[5])(CHHO)	O[4](C[4,5]C[4,5]O[5]C)(C[4]C[4,5]C[6a]C){1|H<1>,4|C<3>}	C[4](C[4,5]C[4,5]C[5]H)(C[6a]C[6a]2)(O[4]C[4,5])(COO){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[4,5](C[4,5]C[4]C[5]H)(O[4]C[4])(O[5]C[5])(CHHO){2|C<3>,2|H<1>}	92.0402	0.048	2	92.0402	0.002	2	92.0402	0.002	2	92.0402	0.002	2	92.2805	0.174	3	91.4818	4.071	96
226	478	478	4:SP3_SP3_SP3	O[4]	C[4]	C[4,5]	4:4:	4:3:2:3:	4:3:2:4:	C[4,5]-4:C[4]-4:	C[4,5]-4:C[6a]-3:O[4]-2:C-3:	C[4,5]-4:N[5]-3:O[4]-2:C-4:	O[4](C[4,5]C[4,5]N[5]C)(C[4]C[4,5]C[6a]C)	C[4](C[4,5]C[5,6a]C[4,5]C)(C[6a]C[6a]2)(O[4]C[4,5])(CC[6a]O)	C[4,5](C[4,5]C[5,6a]C[4]C)(N[5]C[5,6a]C)(O[4]C[4])(CH3)	O[4](C[4,5]C[4,5]N[5]C)(C[4]C[4,5]C[6a]C){1|C<4>,5|C<3>}	C[4](C[4,5]C[5,6a]C[4,5]C)(C[6a]C[6a]2)(O[4]C[4,5])(CC[6a]O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[4,5](C[4,5]C[5,6a]C[4]C)(N[5]C[5,6a]C)(O[4]C[4])(CH3){4|C<3>}	92.7612	0.000	1	92.7612	0.000	1	92.7612	0.000	1	92.7612	0.000	1	92.2805	0.174	3	91.4818	4.071	96
226	478	478	4:SP3_SP3_SP3	O[4]	C[4]	C[4,6]	4:4:	4:3:2:1:	4:3:2:4:	C[4,6]-4:C[4]-4:	C[4,6]-4:C[6a]-3:O[4]-2:H-1:	C[4,6]-4:C[6]-3:O[4]-2:C-4:	O[4](C[4,6]C[4,6]C[6]C)(C[4]C[4,6]C[6a]H)	C[4](C[4,6]C[4,6]N[6]H)(C[6a]C[6a]2)(O[4]C[4,6])(H)	C[4,6](C[4,6]C[4]N[6]H)(C[6]N[6]O)(O[4]C[4])(CH3)	O[4](C[4,6]C[4,6]C[6]C)(C[4]C[4,6]C[6a]H){1|H<1>,1|O<1>,2|C<3>,2|N<3>}	C[4](C[4,6]C[4,6]N[6]H)(C[6a]C[6a]2)(O[4]C[4,6])(H){2|C<4>,2|H<1>,4|C<3>}	C[4,6](C[4,6]C[4]N[6]H)(C[6]N[6]O)(O[4]C[4])(CH3){1|H<1>,2|C<3>,2|C<4>}	91.7131	0.000	1	91.7131	0.000	1	91.7131	0.000	1	91.7131	0.000	1	91.9471	0.160	4	91.4818	4.071	96
226	478	478	4:SP3_SP3_SP3	O[4]	C[4]	C[4,6]	4:4:	4:3:2:1:	4:4:2:1:	C[4,6]-4:C[4]-4:	C[4,6]-4:C[6a]-3:O[4]-2:H-1:	C[4,6]-4:C[6]-4:O[4]-2:H-1:	O[4](C[4,6]C[4,6]C[6]H)(C[4]C[4,6]C[6a]H)	C[4](C[4,6]C[4,6]N[6]H)(C[6a]C[6a]2)(O[4]C[4,6])(H)	C[4,6](C[4,6]C[4]N[6]H)(C[6]C[6]HH)(O[4]C[4])(H)	O[4](C[4,6]C[4,6]C[6]H)(C[4]C[4,6]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[4](C[4,6]C[4,6]N[6]H)(C[6a]C[6a]2)(O[4]C[4,6])(H){1|C<4>,3|C<3>,4|H<1>}	C[4,6](C[4,6]C[4]N[6]H)(C[6]C[6]HH)(O[4]C[4])(H){2|C<3>,4|H<1>}	92.1213	0.000	1	92.1213	0.000	1	92.1213	0.000	1	92.1213	0.000	1	91.9471	0.160	4	91.4818	4.071	96
226	478	478	4:SP3_SP3_SP3	O[4]	C[4]	C[4,6]	4:4:	4:3:3:2:	4:3:2:1:	C[4,6]-4:C[4]-4:	C[4,6]-4:C[6a]-3:C[6a]-3:O[4]-2:	C[4,6]-4:N[6]-3:O[4]-2:H-1:	O[4](C[4,6]C[4,6]N[6]H)(C[4]C[4,6]C[6a]2)	C[4](C[4,6]C[4,6]C[6]C)(C[6a]C[6a]2)2(O[4]C[4,6])	C[4,6](C[4,6]C[4]C[6]C)(N[6]C[6]C)(O[4]C[4])(H)	O[4](C[4,6]C[4,6]N[6]H)(C[4]C[4,6]C[6a]2){2|C<4>,6|C<3>}	C[4](C[4,6]C[4,6]C[6]C)(C[6a]C[6a]2)2(O[4]C[4,6]){1|O<1>,2|N<3>,4|C<3>,5|H<1>}	C[4,6](C[4,6]C[4]C[6]C)(N[6]C[6]C)(O[4]C[4])(H){1|N<3>,2|C<3>,2|O<1>}	92.4204	0.000	1	92.4204	0.000	1	92.4204	0.000	1	92.4204	0.000	1	91.9471	0.160	4	91.4818	4.071	96
226	478	478	4:SP3_SP3_SP3	O[4]	C[4]	C[4,6]	4:4:	4:3:3:2:	4:3:2:4:	C[4,6]-4:C[4]-4:	C[4,6]-4:C[6a]-3:C[6a]-3:O[4]-2:	C[4,6]-4:N[6]-3:O[4]-2:C-4:	O[4](C[4,6]C[4,6]N[6]C)(C[4]C[4,6]C[6a]2)	C[4](C[4,6]C[4,6]C[6]C)(C[6a]C[6a]2)2(O[4]C[4,6])	C[4,6](C[4,6]C[4]C[6]C)(N[6]C[6]C)(O[4]C[4])(CH3)	O[4](C[4,6]C[4,6]N[6]C)(C[4]C[4,6]C[6a]2){2|C<4>,6|C<3>}	C[4](C[4,6]C[4,6]C[6]C)(C[6a]C[6a]2)2(O[4]C[4,6]){1|C<4>,1|O<1>,2|N<3>,4|C<3>,4|H<1>}	C[4,6](C[4,6]C[4]C[6]C)(N[6]C[6]C)(O[4]C[4])(CH3){1|N<3>,2|C<3>,2|O<1>}	91.5336	0.000	1	91.5336	0.000	1	91.5336	0.000	1	91.5336	0.000	1	91.9471	0.160	4	91.4818	4.071	96
226	478	478	4:SP3_SP3_SP3	O[4]	C[4]	C[4]	4:4:	3:4:2:1:	3:2:1:1:	C[4]-4:C[4]-4:	C[4]-3:C-4:O[4]-2:H-1:	C[4]-3:O[4]-2:H-1:H-1:	O[4](C[4]C[4]CH)(C[4]C[4]HH)	C[4](C[4]C[4]O)(CC[6a]HO)(O[4]C[4])(H)	C[4](C[4]C[4]O)(O[4]C[4])(H)2	O[4](C[4]C[4]CH)(C[4]C[4]HH){1|O<1>}	C[4](C[4]C[4]O)(CC[6a]HO)(O[4]C[4])(H){2|H<1>}	C[4](C[4]C[4]O)(O[4]C[4])(H)2{1|C<4>,1|H<1>}	93.4308	0.220	3	93.4308	0.048	3	93.4308	0.048	3	93.4308	0.048	3	91.6064	1.057	35	91.4818	4.071	96
226	478	478	4:SP3_SP3_SP3	O[4]	C[4]	C[4]	4:4:	3:4:2:1:	3:2:4:4:	C[4]-4:C[4]-4:	C[4]-3:C-4:O[4]-2:H-1:	C[4]-3:O[4]-2:C-4:C-4:	O[4](C[4]C[4]CC)(C[4]C[4]CH)	C[4](C[4]C[4]O)(CC[6a]HN)(O[4]C[4])(H)	C[4](C[4]C[4]O)(O[4]C[4])(CH3)2	O[4](C[4]C[4]CC)(C[4]C[4]CH){1|O<1>}	C[4](C[4]C[4]O)(CC[6a]HN)(O[4]C[4])(H){2|C<4>}	C[4](C[4]C[4]O)(O[4]C[4])(CH3)2{1|C<4>,1|H<1>}	93.6158	0.036	2	93.6158	0.001	2	93.6158	0.001	2	93.6158	0.001	2	91.6064	1.057	35	91.4818	4.071	96
226	478	478	4:SP3_SP3_SP3	O[4]	C[4]	C[4]	4:4:	3:4:2:1:	4:2:4:1:	C[4]-4:C[4]-4:	C[6a]-3:C[4]-4:O[4]-2:H-1:	C[4]-4:O[4]-2:C-4:H-1:	O[4](C[4]C[6a]C[4]H)(C[4]C[4]CH)	C[4](C[6a]C[6a]2)(C[4]C[4]CO)(O[4]C[4])(H)	C[4](C[4]C[4]CO)(O[4]C[4])(CH3)(H)	O[4](C[4]C[6a]C[4]H)(C[4]C[4]CH){1|C<4>,1|O<2>,2|C<3>}	C[4](C[6a]C[6a]2)(C[4]C[4]CO)(O[4]C[4])(H){1|C<4>,2|C<3>,3|H<1>}	C[4](C[4]C[4]CO)(O[4]C[4])(CH3)(H){1|C<3>,1|H<1>}	92.4708	0.000	1	92.4708	0.000	1	92.4708	0.000	1	91.4181	0.922	4	91.6064	1.057	35	91.4818	4.071	96
226	478	478	4:SP3_SP3_SP3	O[4]	C[4]	C[4]	4:4:	3:4:2:1:	4:2:4:1:	C[4]-4:C[4]-4:	N[5a]-3:C[4]-4:O[4]-2:D-1:	C[4]-4:O[4]-2:C-4:D-1:	O[4](C[4]N[5a]C[4]D)(C[4]C[4]CD)	C[4](N[5a]C[5a,6a]C[5a])(C[4]C[4]DD)(O[4]C[4])(D)	C[4](C[4]C[4]DD)(O[4]C[4])(CDDO)(D)	O[4](C[4]N[5a]C[4]D)(C[4]C[4]CD){2|C<3>,2|D<1>}	C[4](N[5a]C[5a,6a]C[5a])(C[4]C[4]DD)(O[4]C[4])(D){1|C<3>,1|C<4>,2|D<1>,2|N<2>}	C[4](C[4]C[4]DD)(O[4]C[4])(CDDO)(D){1|D<1>,1|N<3>}	90.3920	0.000	1	90.3920	0.000	1	90.3920	0.000	1	91.4181	0.922	4	91.6064	1.057	35	91.4818	4.071	96
226	478	478	4:SP3_SP3_SP3	O[4]	C[4]	C[4]	4:4:	3:4:2:1:	4:2:4:1:	C[4]-4:C[4]-4:	N[5a]-3:C[4]-4:O[4]-2:H-1:	C[4]-4:O[4]-2:C-4:H-1:	O[4](C[4]N[5a]C[4]H)(C[4]C[4]CH)	C[4](N[5a]C[5a,6a]C[5a])(C[4]C[4]HH)(O[4]C[4])(H)	C[4](C[4]C[4]HH)(O[4]C[4])(CHHO)(H)	O[4](C[4]N[5a]C[4]H)(C[4]C[4]CH){2|C<3>,2|H<1>}	C[4](N[5a]C[5a,6a]C[5a])(C[4]C[4]HH)(O[4]C[4])(H){1|C<3>,1|C<4>,2|H<1>,2|N<2>}	C[4](C[4]C[4]HH)(O[4]C[4])(CHHO)(H){1|H<1>,1|N<3>}	90.8545	0.000	1	90.8545	0.000	1	91.4048	0.606	2	91.4181	0.922	4	91.6064	1.057	35	91.4818	4.071	96
226	478	478	4:SP3_SP3_SP3	O[4]	C[4]	C[4]	4:4:	3:4:2:1:	4:2:4:1:	C[4]-4:C[4]-4:	N[5a]-3:C[4]-4:O[4]-2:H-1:	C[4]-4:O[4]-2:C-4:H-1:	O[4](C[4]N[5a]C[4]H)(C[4]C[4]CH)	C[4](N[5a]C[5a,6a]C[5a])(C[4]C[4]HO)(O[4]C[4])(H)	C[4](C[4]C[4]HO)(O[4]C[4])(CHHO)(H)	O[4](C[4]N[5a]C[4]H)(C[4]C[4]CH){1|H<1>,1|O<2>,2|C<3>}	C[4](N[5a]C[5a,6a]C[5a])(C[4]C[4]HO)(O[4]C[4])(H){1|C<3>,1|C<4>,2|H<1>,2|N<2>}	C[4](C[4]C[4]HO)(O[4]C[4])(CHHO)(H){1|H<1>,1|N<3>}	91.9550	0.000	1	91.9550	0.000	1	91.4048	0.606	2	91.4181	0.922	4	91.6064	1.057	35	91.4818	4.071	96
226	478	478	4:SP3_SP3_SP3	O[4]	C[4]	C[4]	4:4:	4:2:1:1:	4:2:1:1:	C[4]-4:C[4]-4:	C[4,4]-4:O[4]-2:H-1:H-1:	C[4,4]-4:O[4]-2:H-1:H-1:	O[4](C[4]C[4,4]HH)2	C[4](C[4,4]C[4]3)(O[4]C[4])(H)2	C[4](C[4,4]C[4]3)(O[4]C[4])(H)2	O[4](C[4]C[4,4]HH)2{2|C<4>}	C[4](C[4,4]C[4]3)(O[4]C[4])(H)2{1|N<3>,6|H<1>}	C[4](C[4,4]C[4]3)(O[4]C[4])(H)2{1|N<3>,6|H<1>}	90.7840	0.000	1	90.7840	0.000	1	90.7840	0.000	1	91.1752	0.467	17	91.6064	1.057	35	91.4818	4.071	96
226	478	478	4:SP3_SP3_SP3	O[4]	C[4]	C[4]	4:4:	4:2:1:1:	4:2:1:1:	C[4]-4:C[4]-4:	C[4,5]-4:O[4]-2:H-1:H-1:	C[4,5]-4:O[4]-2:H-1:H-1:	O[4](C[4]C[4,5]HH)2	C[4](C[4,5]C[3,5]C[4]N[5])(O[4]C[4])(H)2	C[4](C[4,5]C[3,5]C[4]N[5])(O[4]C[4])(H)2	O[4](C[4]C[4,5]HH)2{1|C<4>,1|N<3>}	C[4](C[4,5]C[3,5]C[4]N[5])(O[4]C[4])(H)2{2|H<1>,5|C<4>}	C[4](C[4,5]C[3,5]C[4]N[5])(O[4]C[4])(H)2{2|H<1>,5|C<4>}	91.2303	0.000	1	91.2303	0.000	1	91.2303	0.000	1	91.1752	0.467	17	91.6064	1.057	35	91.4818	4.071	96
226	478	478	4:SP3_SP3_SP3	O[4]	C[4]	C[4]	4:4:	4:2:1:1:	4:2:1:1:	C[4]-4:C[4]-4:	C[4]-4:O[4]-2:H-1:H-1:	C[4]-4:O[4]-2:H-1:H-1:	O[4](C[4]C[4]HH)2	C[4](C[4]C[4]2H)(O[4]C[4])(H)2	C[4](C[4]C[4]2H)(O[4]C[4])(H)2	O[4](C[4]C[4]HH)2{1|C<4>,1|H<1>}	C[4](C[4]C[4]2H)(O[4]C[4])(H)2{2|C<4>,3|H<1>}	C[4](C[4]C[4]2H)(O[4]C[4])(H)2{2|C<4>,3|H<1>}	91.0623	0.000	1	91.0623	0.000	1	91.1976	0.523	15	91.1752	0.467	17	91.6064	1.057	35	91.4818	4.071	96
226	478	478	4:SP3_SP3_SP3	O[4]	C[4]	C[4]	4:4:	4:2:1:1:	4:2:1:1:	C[4]-4:C[4]-4:	C[4]-4:O[4]-2:H-1:H-1:	C[4]-4:O[4]-2:H-1:H-1:	O[4](C[4]C[4]HH)2	C[4](C[4]C[4]CC)(O[4]C[4])(H)2	C[4](C[4]C[4]CC)(O[4]C[4])(H)2	O[4](C[4]C[4]HH)2{2|C<4>}	C[4](C[4]C[4]CC)(O[4]C[4])(H)2{2|H<1>}	C[4](C[4]C[4]CC)(O[4]C[4])(H)2{2|H<1>}	91.8604	0.421	4	91.8604	0.177	4	91.1976	0.523	15	91.1752	0.467	17	91.6064	1.057	35	91.4818	4.071	96
226	478	478	4:SP3_SP3_SP3	O[4]	C[4]	C[4]	4:4:	4:2:1:1:	4:2:1:1:	C[4]-4:C[4]-4:	C[4]-4:O[4]-2:H-1:H-1:	C[4]-4:O[4]-2:H-1:H-1:	O[4](C[4]C[4]HH)2	C[4](C[4]C[4]CN)(O[4]C[4])(H)2	C[4](C[4]C[4]CN)(O[4]C[4])(H)2	O[4](C[4]C[4]HH)2{1|C<4>,1|N<2>}	C[4](C[4]C[4]CN)(O[4]C[4])(H)2{2|H<1>}	C[4](C[4]C[4]CN)(O[4]C[4])(H)2{2|H<1>}	90.9994	0.000	1	90.9888	0.199	7	91.1976	0.523	15	91.1752	0.467	17	91.6064	1.057	35	91.4818	4.071	96
226	478	478	4:SP3_SP3_SP3	O[4]	C[4]	C[4]	4:4:	4:2:1:1:	4:2:1:1:	C[4]-4:C[4]-4:	C[4]-4:O[4]-2:H-1:H-1:	C[4]-4:O[4]-2:H-1:H-1:	O[4](C[4]C[4]HH)2	C[4](C[4]C[4]CN)(O[4]C[4])(H)2	C[4](C[4]C[4]CN)(O[4]C[4])(H)2	O[4](C[4]C[4]HH)2{1|C<4>,1|N<3>}	C[4](C[4]C[4]CN)(O[4]C[4])(H)2{2|H<1>}	C[4](C[4]C[4]CN)(O[4]C[4])(H)2{2|H<1>}	90.9870	0.489	6	90.9888	0.199	7	91.1976	0.523	15	91.1752	0.467	17	91.6064	1.057	35	91.4818	4.071	96
226	478	478	4:SP3_SP3_SP3	O[4]	C[4]	C[4]	4:4:	4:2:1:1:	4:2:1:1:	C[4]-4:C[4]-4:	C[4]-4:O[4]-2:H-1:H-1:	C[4]-4:O[4]-2:H-1:H-1:	O[4](C[4]C[4]HH)2	C[4](C[4]C[4]N[3]C)(O[4]C[4])(H)2	C[4](C[4]C[4]N[3]C)(O[4]C[4])(H)2	O[4](C[4]C[4]HH)2{1|C<4>,1|N<3>}	C[4](C[4]C[4]N[3]C)(O[4]C[4])(H)2{1|C<4>,1|N<3>,2|H<1>}	C[4](C[4]C[4]N[3]C)(O[4]C[4])(H)2{1|C<4>,1|N<3>,2|H<1>}	90.1296	0.237	2	90.1296	0.056	2	91.1976	0.523	15	91.1752	0.467	17	91.6064	1.057	35	91.4818	4.071	96
226	478	478	4:SP3_SP3_SP3	O[4]	C[4]	C[4]	4:4:	4:2:1:1:	4:2:1:1:	C[4]-4:C[4]-4:	C[4]-4:O[4]-2:H-1:H-1:	C[4]-4:O[4]-2:H-1:H-1:	O[4](C[4]C[4]HH)2	C[4](C[4]C[4]OO)(O[4]C[4])(H)2	C[4](C[4]C[4]OO)(O[4]C[4])(H)2	O[4](C[4]C[4]HH)2{2|O<2>}	C[4](C[4]C[4]OO)(O[4]C[4])(H)2{2|H<1>}	C[4](C[4]C[4]OO)(O[4]C[4])(H)2{2|H<1>}	92.2801	0.000	1	92.2801	0.000	1	91.1976	0.523	15	91.1752	0.467	17	91.6064	1.057	35	91.4818	4.071	96
226	478	478	4:SP3_SP3_SP3	O[4]	C[4]	C[4]	4:4:	4:2:1:1:	4:2:4:1:	C[4]-4:C[4]-4:	C[4]-4:O[4]-2:H-1:H-1:	C[4]-4:O[4]-2:C-4:H-1:	O[4](C[4]C[4]CH)(C[4]C[4]HH)	C[4](C[4]C[4]CH)(O[4]C[4])(H)2	C[4](C[4]C[4]CH)(O[4]C[4])(CCHH)(H)	O[4](C[4]C[4]CH)(C[4]C[4]HH){1|C<4>,1|H<1>}	C[4](C[4]C[4]CH)(O[4]C[4])(H)2{1|C<4>,1|H<1>}	C[4](C[4]C[4]CH)(O[4]C[4])(CCHH)(H){2|H<1>}	90.9894	0.000	1	90.9894	0.000	1	90.9894	0.000	1	90.9894	0.000	1	91.6064	1.057	35	91.4818	4.071	96
226	478	478	4:SP3_SP3_SP3	O[4]	C[4]	C[4]	4:4:	4:2:3:1:	4:2:1:1:	C[4]-4:C[4]-4:	C[4]-4:O[4]-2:C-3:H-1:	C[4]-4:O[4]-2:H-1:H-1:	O[4](C[4]C[4]CH)(C[4]C[4]HH)	C[4](C[4]C[4]HN)(O[4]C[4])(CN[5]O)(H)	C[4](C[4]C[4]HN)(O[4]C[4])(H)2	O[4](C[4]C[4]CH)(C[4]C[4]HH){1|H<1>,1|N<3>}	C[4](C[4]C[4]HN)(O[4]C[4])(CN[5]O)(H){2|H<1>}	C[4](C[4]C[4]HN)(O[4]C[4])(H)2{1|C<3>,1|H<1>}	91.8262	0.000	1	91.8262	0.000	1	91.8262	0.000	1	91.8262	0.000	1	91.6064	1.057	35	91.4818	4.071	96
226	478	478	4:SP3_SP3_SP3	O[4]	C[4]	C[4]	4:4:	4:2:4:1:	4:2:3:1:	C[4]-4:C[4]-4:	C[4]-4:O[4]-2:C-4:H-1:	C[4]-4:O[4]-2:C-3:H-1:	O[4](C[4]C[4]CH)2	C[4](C[4]C[4]HO)(O[4]C[4])(CCHN)(H)	C[4](C[4]C[4]HO)(O[4]C[4])(COO)(H)	O[4](C[4]C[4]CH)2{1|H<1>,1|O<2>}	C[4](C[4]C[4]HO)(O[4]C[4])(CCHN)(H){1|C<3>,1|H<1>}	C[4](C[4]C[4]HO)(O[4]C[4])(COO)(H){1|C<4>,1|H<1>}	91.5314	0.000	1	91.5314	0.000	1	91.9906	0.422	2	91.9906	0.422	2	91.6064	1.057	35	91.4818	4.071	96
226	478	478	4:SP3_SP3_SP3	O[4]	C[4]	C[4]	4:4:	4:2:4:1:	4:2:3:1:	C[4]-4:C[4]-4:	C[4]-4:O[4]-2:C-4:H-1:	C[4]-4:O[4]-2:C-3:H-1:	O[4](C[4]C[4]CH)2	C[4](C[4]C[4]N[5]C)(O[4]C[4])(CCCH)(H)	C[4](C[4]C[4]N[5]C)(O[4]C[4])(CCH)(H)	O[4](C[4]C[4]CH)2{1|C<4>,1|N<3>}	C[4](C[4]C[4]N[5]C)(O[4]C[4])(CCCH)(H){1|C<3>,1|H<1>,2|C<4>}	C[4](C[4]C[4]N[5]C)(O[4]C[4])(CCH)(H){1|H<1>,3|C<4>}	92.4497	0.000	1	92.4497	0.000	1	91.9906	0.422	2	91.9906	0.422	2	91.6064	1.057	35	91.4818	4.071	96
226	478	478	4:SP3_SP3_SP3	O[4]	C[4]	C[4]	4:4:	4:3:2:2:	4:2:1:1:	C[4]-4:C[4]-4:	C[4]-4:C[6a]-3:O[4]-2:O-2:	C[4]-4:O[4]-2:H-1:H-1:	O[4](C[4]C[6a]C[4]O)(C[4]C[4]HH)	C[4](C[4]C[6a]C[4]C[6])(C[6a]C[6a]2)(O[4]C[4])(OC)	C[4](C[4]C[6a]C[4]C[6])(O[4]C[4])(H)2	O[4](C[4]C[6a]C[4]O)(C[4]C[4]HH){4|C<3>}	C[4](C[4]C[6a]C[4]C[6])(C[6a]C[6a]2)(O[4]C[4])(OC){4|H<1>,6|C<3>}	C[4](C[4]C[6a]C[4]C[6])(O[4]C[4])(H)2{1|O<2>,5|C<3>}	89.9969	0.000	1	89.9969	0.000	1	89.9969	0.000	1	89.9969	0.000	1	91.6064	1.057	35	91.4818	4.071	96
226	478	478	4:SP3_SP3_SP3	O[4]	C[4]	C[4]	4:4:	4:4:2:1:	4:2:1:1:	C[4]-4:C[4]-4:	C[4,6]-4:C-4:O[4]-2:H-1:	C[4,6]-4:O[4]-2:H-1:H-1:	O[4](C[4]C[4,6]CH)(C[4]C[4,6]HH)	C[4](C[4,6]C[5a,6]C[4]N[6])(CC[6a]HH)(O[4]C[4])(H)	C[4](C[4,6]C[5a,6]C[4]N[6])(O[4]C[4])(H)2	O[4](C[4]C[4,6]CH)(C[4]C[4,6]HH){1|C<3>,1|N<3>}	C[4](C[4,6]C[5a,6]C[4]N[6])(CC[6a]HH)(O[4]C[4])(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[4](C[4,6]C[5a,6]C[4]N[6])(O[4]C[4])(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	91.7504	0.183	3	91.7504	0.034	3	91.7504	0.034	3	91.7504	0.034	3	91.6064	1.057	35	91.4818	4.071	96
226	478	478	4:SP3_SP3_SP3	O[4]	C[4]	C[4]	4:4:	4:4:2:1:	4:2:4:4:	C[4]-4:C[4]-4:	C[4]-4:C[6]-4:O[4]-2:H-1:	C[4]-4:O[4]-2:C-4:C-4:	O[4](C[4]C[4]C[6]H)(C[4]C[4]CC)	C[4](C[4]C[4]HO)(C[6]C[6]2C)(O[4]C[4])(H)	C[4](C[4]C[4]HO)(O[4]C[4])(CCHH)(CH3)	O[4](C[4]C[4]C[6]H)(C[4]C[4]CC){1|H<1>,1|O<2>,3|C<4>}	C[4](C[4]C[4]HO)(C[6]C[6]2C)(O[4]C[4])(H){1|O<2>,2|H<1>,5|C<4>}	C[4](C[4]C[4]HO)(O[4]C[4])(CCHH)(CH3){1|C<4>,1|H<1>}	91.0024	0.000	1	91.0024	0.000	1	91.0024	0.000	1	91.0024	0.000	1	91.6064	1.057	35	91.4818	4.071	96
226	478	478	5:SP3_SP3_SP3	O[4,5]	C[4,3x5,6]	C[4,5,5,6,6]	4:4:	4:4:4:2:	4:4:2:1:	C[4,3x5,6]-4:C[4,5,5,6,6]-4:	C[4,5,5,6,6]-4:C[3x5,3x6]-4:C[5,3x6]-4:O[4,5]-2:	C[4,5,5,6,6]-4:C[5,5,3x6]-4:O[4,5]-2:H-1:	O[4,5](C[4,3x5,6]C[4,5,5,6,6]C[3x5,3x6]C[5,3x6])(C[4,5,5,6,6]C[4,5,5,6,6]C[5,5,3x6]H)	C[4,3x5,6](C[4,5,5,6,6]C[4,5,5,6,6]C[5,3x6]H)(C[3x5,3x6]C[5,5,3x6]C[5,3x6]H)(C[5,3x6]C[3x5,3x6]C[5,3x6]H)(O[4,5]C[4,5,5,6,6])	C[4,5,5,6,6](C[4,5,5,6,6]C[4,3x5,6]C[5,3x6]H)(C[5,5,3x6]C[3x5,3x6]C[6,6]H)(O[4,5]C[4,3x5,6])(H)	O[4,5](C[4,3x5,6]C[4,5,5,6,6]C[3x5,3x6]C[5,3x6])(C[4,5,5,6,6]C[4,5,5,6,6]C[5,5,3x6]H){4|H<1>,5|C<4>}	C[4,3x5,6](C[4,5,5,6,6]C[4,5,5,6,6]C[5,3x6]H)(C[3x5,3x6]C[5,5,3x6]C[5,3x6]H)(C[5,3x6]C[3x5,3x6]C[5,3x6]H)(O[4,5]C[4,5,5,6,6]){6|C<4>,6|H<1>}	C[4,5,5,6,6](C[4,5,5,6,6]C[4,3x5,6]C[5,3x6]H)(C[5,5,3x6]C[3x5,3x6]C[6,6]H)(O[4,5]C[4,3x5,6])(H){3|C<4>,4|H<1>}	83.6307	0.000	1	83.6307	0.000	1	83.6307	0.000	1	83.6307	0.000	1	83.6307	0.000	1	83.7334	0.009	3
226	478	478	5:SP3_SP3_SP3	O[4,5]	C[4,3x5]	C[4,5,5,6,6]	4:4:	4:4:2:3:	4:4:2:1:	C[4,3x5]-4:C[4,5,5,6,6]-4:	C[4,5,5,6,6]-4:C[3x5,6,6]-4:O[4,5]-2:C[6a]-3:	C[4,5,5,6,6]-4:C[5,5,3x6]-4:O[4,5]-2:H-1:	O[4,5](C[4,3x5]C[4,5,5,6,6]C[3x5,6,6]C[6a])(C[4,5,5,6,6]C[4,5,5,6,6]C[5,5,3x6]H)	C[4,3x5](C[4,5,5,6,6]C[4,5,5,6,6]C[5,3x6]H)(C[3x5,6,6]C[5,5,3x6]C[5,6,6]H)(O[4,5]C[4,5,5,6,6])(C[6a]C[6a]2)	C[4,5,5,6,6](C[4,5,5,6,6]C[4,3x5]C[5,3x6]H)(C[5,5,3x6]C[3x5,6,6]C[3,6,6]H)(O[4,5]C[4,3x5])(H)	O[4,5](C[4,3x5]C[4,5,5,6,6]C[3x5,6,6]C[6a])(C[4,5,5,6,6]C[4,5,5,6,6]C[5,5,3x6]H){2|C<3>,3|C<4>,3|H<1>}	C[4,3x5](C[4,5,5,6,6]C[4,5,5,6,6]C[5,3x6]H)(C[3x5,6,6]C[5,5,3x6]C[5,6,6]H)(O[4,5]C[4,5,5,6,6])(C[6a]C[6a]2){2|C<4>,3|C<3>,6|H<1>}	C[4,5,5,6,6](C[4,5,5,6,6]C[4,3x5]C[5,3x6]H)(C[5,5,3x6]C[3x5,6,6]C[3,6,6]H)(O[4,5]C[4,3x5])(H){1|C<3>,3|C<4>,3|H<1>}	83.8189	0.000	1	83.8189	0.000	1	83.7847	0.002	2	83.7847	0.002	2	83.7847	0.002	2	83.7334	0.009	3
226	478	478	5:SP3_SP3_SP3	O[4,5]	C[4,3x5]	C[4,5,5,6,6]	4:4:	4:4:2:3:	4:4:2:1:	C[4,3x5]-4:C[4,5,5,6,6]-4:	C[4,5,5,6,6]-4:C[3x5,6,6]-4:O[4,5]-2:C[6a]-3:	C[4,5,5,6,6]-4:C[5,5,3x6]-4:O[4,5]-2:H-1:	O[4,5](C[4,3x5]C[4,5,5,6,6]C[3x5,6,6]C[6a])(C[4,5,5,6,6]C[4,5,5,6,6]C[5,5,3x6]H)	C[4,3x5](C[4,5,5,6,6]C[4,5,5,6,6]C[5,3x6]H)(C[3x5,6,6]C[5,5,3x6]C[5,6,6]H)(O[4,5]C[4,5,5,6,6])(C[6a]C[6a]2)	C[4,5,5,6,6](C[4,5,5,6,6]C[4,3x5]C[5,3x6]H)(C[5,5,3x6]C[3x5,6,6]C[4,6,6]H)(O[4,5]C[4,3x5])(H)	O[4,5](C[4,3x5]C[4,5,5,6,6]C[3x5,6,6]C[6a])(C[4,5,5,6,6]C[4,5,5,6,6]C[5,5,3x6]H){2|C<3>,3|C<4>,3|H<1>}	C[4,3x5](C[4,5,5,6,6]C[4,5,5,6,6]C[5,3x6]H)(C[3x5,6,6]C[5,5,3x6]C[5,6,6]H)(O[4,5]C[4,5,5,6,6])(C[6a]C[6a]2){2|C<4>,3|C<3>,6|H<1>}	C[4,5,5,6,6](C[4,5,5,6,6]C[4,3x5]C[5,3x6]H)(C[5,5,3x6]C[3x5,6,6]C[4,6,6]H)(O[4,5]C[4,3x5])(H){1|C<3>,3|C<4>,3|H<1>}	83.7505	0.000	1	83.7505	0.000	1	83.7847	0.002	2	83.7847	0.002	2	83.7847	0.002	2	83.7334	0.009	3
226	478	478	6:SP3_SP3_SP3	O[4,6]	C[4,4x6]	C[4,6,6]	4:4:	4:4:4:2:	4:4:2:1:	C[4,4x6]-4:C[4,6,6]-4:	C[5,4x6]-4:C[4,6]-4:C[6,6]-4:O[4,6]-2:	C[4,6]-4:C[6,6]-4:O[4,6]-2:H-1:	O[4,6](C[4,4x6]C[5,4x6]C[4,6]C[6,6])(C[4,6,6]C[4,6]C[6,6]H)	C[4,4x6](C[5,4x6]C[5,6,6a]C[5,6,6]C[6])(C[4,6]C[4,6,6]HH)(C[6,6]C[6]N[6]H)(O[4,6]C[4,6,6])	C[4,6,6](C[4,6]C[4,4x6]HH)(C[6,6]C[5,6,6]OO)(O[4,6]C[4,4x6])(H)	O[4,6](C[4,4x6]C[5,4x6]C[4,6]C[6,6])(C[4,6,6]C[4,6]C[6,6]H){1|C<3>,1|N<3>,2|O<2>,3|C<4>,3|H<1>}	C[4,4x6](C[5,4x6]C[5,6,6a]C[5,6,6]C[6])(C[4,6]C[4,6,6]HH)(C[6,6]C[6]N[6]H)(O[4,6]C[4,6,6]){1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[4,6,6](C[4,6]C[4,4x6]HH)(C[6,6]C[5,6,6]OO)(O[4,6]C[4,4x6])(H){1|H<1>,1|O<2>,2|C<4>}	87.0701	0.000	1	87.0701	0.000	1	87.0701	0.000	1	87.0701	0.000	1	87.0701	0.000	1	87.7918	0.634	6
226	478	478	6:SP3_SP3_SP3	O[4,6]	C[4,5,6,6]	C[4,5,6,6]	4:4:	4:4:2:3:	4:4:2:1:	C[4,5,6,6]-4:C[4,5,6,6]-4:	C[4,5,5,6]-4:C[5,6,6]-4:O[4,6]-2:C[6a]-3:	C[4,5,5,6]-4:C[5,6,6]-4:O[4,6]-2:H-1:	O[4,6](C[4,5,6,6]C[4,5,5,6]C[5,6,6]C[6a])(C[4,5,6,6]C[4,5,5,6]C[5,6,6]H)	C[4,5,6,6](C[4,5,5,6]C[4,5,6,6]O[5,5]H)(C[5,6,6]C[5,5,6,6]HO)(O[4,6]C[4,5,6,6])(C[6a]C[6a]2)	C[4,5,6,6](C[4,5,5,6]C[4,5,6,6]O[5,5]H)(C[5,6,6]C[5,5,6,6]C[6a]O)(O[4,6]C[4,5,6,6])(H)	O[4,6](C[4,5,6,6]C[4,5,5,6]C[5,6,6]C[6a])(C[4,5,6,6]C[4,5,5,6]C[5,6,6]H){1|C<4>,2|H<1>,3|C<3>,3|O<2>}	C[4,5,6,6](C[4,5,5,6]C[4,5,6,6]O[5,5]H)(C[5,6,6]C[5,5,6,6]HO)(O[4,6]C[4,5,6,6])(C[6a]C[6a]2){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[4,5,6,6](C[4,5,5,6]C[4,5,6,6]O[5,5]H)(C[5,6,6]C[5,5,6,6]C[6a]O)(O[4,6]C[4,5,6,6])(H){1|C<4>,1|O<2>,3|C<3>}	89.3216	0.000	1	89.3216	0.000	1	89.3216	0.000	1	89.3216	0.000	1	89.3216	0.000	1	87.7918	0.634	6
226	478	478	6:SP3_SP3_SP3	O[4,6]	C[4,6,6]	C[4,6,6]	4:4:	4:2:3:3:	4:2:3:4:	C[4,6,6]-4:C[4,6,6]-4:	C[4,6]-4:O[4,6]-2:C[6,6]-3:C[6a]-3:	C[4,6]-4:O[4,6]-2:C[6,6]-3:C-4:	O[4,6](C[4,6,6]C[4,6]C[6,6]C[6a])(C[4,6,6]C[4,6]C[6,6]C)	C[4,6,6](C[4,6]C[4,6,6]HH)(O[4,6]C[4,6,6])(C[6,6]N[6,6]O)(C[6a]C[6a]2)	C[4,6,6](C[4,6]C[4,6,6]HH)(O[4,6]C[4,6,6])(C[6,6]N[6,6]O)(CCHH)	O[4,6](C[4,6,6]C[4,6]C[6,6]C[6a])(C[4,6,6]C[4,6]C[6,6]C){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C[4,6,6](C[4,6]C[4,6,6]HH)(O[4,6]C[4,6,6])(C[6,6]N[6,6]O)(C[6a]C[6a]2){1|C<4>,2|H<1>,4|C<3>}	C[4,6,6](C[4,6]C[4,6,6]HH)(O[4,6]C[4,6,6])(C[6,6]N[6,6]O)(CCHH){3|C<3>}	87.7384	0.000	1	87.7384	0.000	1	87.6799	0.024	3	87.6799	0.024	3	87.5898	0.049	4	87.7918	0.634	6
226	478	478	6:SP3_SP3_SP3	O[4,6]	C[4,6,6]	C[4,6,6]	4:4:	4:2:3:3:	4:2:3:4:	C[4,6,6]-4:C[4,6,6]-4:	C[4,6]-4:O[4,6]-2:C[6,6]-3:C[6a]-3:	C[4,6]-4:O[4,6]-2:C[6,6]-3:C-4:	O[4,6](C[4,6,6]C[4,6]C[6,6]C[6a])(C[4,6,6]C[4,6]C[6,6]C)	C[4,6,6](C[4,6]C[4,6,6]HH)(O[4,6]C[4,6,6])(C[6,6]N[6,6]O)(C[6a]C[6a]2)	C[4,6,6](C[4,6]C[4,6,6]HH)(O[4,6]C[4,6,6])(C[6,6]N[6,6]O)(CH3)	O[4,6](C[4,6,6]C[4,6]C[6,6]C[6a])(C[4,6,6]C[4,6]C[6,6]C){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C[4,6,6](C[4,6]C[4,6,6]HH)(O[4,6]C[4,6,6])(C[6,6]N[6,6]O)(C[6a]C[6a]2){1|C<4>,2|H<1>,4|C<3>}	C[4,6,6](C[4,6]C[4,6,6]HH)(O[4,6]C[4,6,6])(C[6,6]N[6,6]O)(CH3){3|C<3>}	87.6506	0.208	2	87.6506	0.043	2	87.6799	0.024	3	87.6799	0.024	3	87.5898	0.049	4	87.7918	0.634	6
226	478	478	6:SP3_SP3_SP3	O[4,6]	C[4,6,6]	C[4,6,6]	4:4:	4:4:2:1:	4:4:2:1:	C[4,6,6]-4:C[4,6,6]-4:	C[5,6,6]-4:C[4,6]-4:O[4,6]-2:H-1:	C[5,6,6]-4:C[4,6]-4:O[4,6]-2:H-1:	O[4,6](C[4,6,6]C[5,6,6]C[4,6]H)2	C[4,6,6](C[5,6,6]O[5,6,6]C[5]H)(C[4,6]C[4,6,6]FH)(O[4,6]C[4,6,6])(H)	C[4,6,6](C[5,6,6]O[5,6,6]O[5]H)(C[4,6]C[4,6,6]FH)(O[4,6]C[4,6,6])(H)	O[4,6](C[4,6,6]C[5,6,6]C[4,6]H)2{1|C<4>,1|F<1>,2|O<2>,3|H<1>}	C[4,6,6](C[5,6,6]O[5,6,6]C[5]H)(C[4,6]C[4,6,6]FH)(O[4,6]C[4,6,6])(H){1|C<4>,1|O<2>,3|H<1>}	C[4,6,6](C[5,6,6]O[5,6,6]O[5]H)(C[4,6]C[4,6,6]FH)(O[4,6]C[4,6,6])(H){1|H<1>,2|C<4>}	87.3195	0.000	1	87.3195	0.000	1	87.3195	0.000	1	87.3195	0.000	1	87.5898	0.049	4	87.7918	0.634	6
226	478	486	4:SP3_SP3_SP3	O[4]	C[4,5]	C[3,4]	4:4:	3:4:2:3:	4:4:4:2:	C[4,5]-4:C[3,4]-4:	C[5,6a]-3:C[3,4]-4:O[4]-2:C[5]-3:	C[3,4]-4:C[3]-4:C[3]-4:O[4]-2:	O[4](C[4,5]C[5,6a]C[3,4]C[5])(C[3,4]C[3,4]C[3]2)	C[4,5](C[5,6a]C[5,6a]C[6a])(C[3,4]C[3,4]C[3]2)(O[4]C[3,4])(C[5]N[5]O)	C[3,4](C[3,4]C[4,5]C[3]2)(C[3]C[3]HH)2(O[4]C[4,5])	O[4](C[4,5]C[5,6a]C[3,4]C[5])(C[3,4]C[3,4]C[3]2){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[4,5](C[5,6a]C[5,6a]C[6a])(C[3,4]C[3,4]C[3]2)(O[4]C[3,4])(C[5]N[5]O){2|C<4>,3|C<3>,5|H<1>}	C[3,4](C[3,4]C[4,5]C[3]2)(C[3]C[3]HH)2(O[4]C[4,5]){2|C<3>,4|H<1>}	91.1501	0.000	1	91.1501	0.000	1	91.1501	0.000	1	91.1501	0.000	1	91.1501	0.000	1	91.0486	0.021	2
226	478	486	4:SP3_SP3_SP3	O[4]	C[4,6]	C[3,4]	4:4:	4:2:3:3:	4:4:4:2:	C[3,4]-4:C[4,6]-4:	C[3,4]-4:O[4]-2:C[6]-3:C[6]-3:	C[3,4]-4:C[3]-4:C[3]-4:O[4]-2:	O[4](C[3,4]C[3,4]C[3]2)(C[4,6]C[3,4]C[6]2)	C[4,6](C[3,4]C[3,4]C[3]2)(O[4]C[3,4])(C[6]C[6]H)2	C[3,4](C[3,4]C[4,6]C[3]2)(C[3]C[3]HH)2(O[4]C[4,6])	O[4](C[3,4]C[3,4]C[3]2)(C[4,6]C[3,4]C[6]2){2|C<3>,2|C<4>,6|H<1>}	C[4,6](C[3,4]C[3,4]C[3]2)(O[4]C[3,4])(C[6]C[6]H)2{2|Cl<1>,1|C<3>,2|C<4>,4|H<1>}	C[3,4](C[3,4]C[4,6]C[3]2)(C[3]C[3]HH)2(O[4]C[4,6]){2|C<3>,4|H<1>}	90.9472	0.000	1	90.9472	0.000	1	90.9472	0.000	1	90.9472	0.000	1	90.9472	0.000	1	91.0486	0.021	2
226	478	718	4:SP3_SP3_SPD5	O[4]	C[4,5,6]	P[4,5]	5:4:	4:4:4:2:	3:4:2:3:3:	P[4,5]-5:C[4,5,6]-4:	C[5,5,6]-4:C[5,6]-4:C[4]-4:O[4]-2:	C[5,6a]-3:C[4]-4:O[4]-2:C[6a]-3:N[5]-3:	O[4](P[4,5]C[5,6a]C[6a]C[4]N[5])(C[4,5,6]C[5,5,6]C[5,6]C[4])	C[4,5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[4]P[4,5]CH)(O[4]P[4,5])	P[4,5](C[5,6a]C[5,6a]C[6a])(C[4]C[4,5,6]CH)(O[4]C[4,5,6])(C[6a]C[6a]2)(N[5]C[5]H)	O[4](P[4,5]C[5,6a]C[6a]C[4]N[5])(C[4,5,6]C[5,5,6]C[5,6]C[4]){4|H<1>,5|C<3>,5|C<4>}	C[4,5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[4]P[4,5]CH)(O[4]P[4,5]){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	P[4,5](C[5,6a]C[5,6a]C[6a])(C[4]C[4,5,6]CH)(O[4]C[4,5,6])(C[6a]C[6a]2)(N[5]C[5]H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	95.6556	0.000	1	95.6556	0.000	1	95.6556	0.000	1	95.6556	0.000	1	95.6556	0.000	1	95.7792	0.679	7
226	478	718	4:SP3_SP3_SPD5	O[4]	C[4]	P[4,5]	5:4:	4:2:4:1:	3:3:4:3:2:	P[4,5]-5:C[4]-4:	C[4]-4:O[4]-2:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[4]-4:N[5]-3:O[4]-2:	O[4](P[4,5]C[5,6a]C[6a]C[4]N[5])(C[4]C[4]CH)	C[4](C[4]P[4,5]CC)(O[4]P[4,5])(CCCH)(H)	P[4,5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[4]C[4]CC)(N[5]C[5]H)(O[4]C[4])	O[4](P[4,5]C[5,6a]C[6a]C[4]N[5])(C[4]C[4]CH){1|H<1>,2|C<4>,5|C<3>}	C[4](C[4]P[4,5]CC)(O[4]P[4,5])(CCCH)(H){1|N<3>,2|C<3>}	P[4,5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[4]C[4]CC)(N[5]C[5]H)(O[4]C[4]){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	96.8599	0.000	2	96.8599	0.000	2	96.8599	0.000	2	96.8599	0.000	2	95.7998	0.812	6	95.7792	0.679	7
226	478	718	4:SP3_SP3_SPD5	O[4]	C[4]	P[4,5]	5:4:	4:2:4:4:	3:3:4:2:2:	P[4,5]-5:C[4]-4:	C[4]-4:O[4]-2:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[4]-4:O[4]-2:O[5]-2:	O[4](P[4,5]C[5,6a]C[6a]C[4]O[5])(C[4]C[4]CC)	C[4](C[4]P[4,5]HH)(O[4]P[4,5])(CF3)2	P[4,5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[4]C[4]HH)(O[4]C[4])(O[5]C[5])	O[4](P[4,5]C[5,6a]C[6a]C[4]O[5])(C[4]C[4]CC){1|C<4>,2|H<1>,4|C<3>}	C[4](C[4]P[4,5]HH)(O[4]P[4,5])(CF3)2{1|O<2>,2|C<3>}	P[4,5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[4]C[4]HH)(O[4]C[4])(O[5]C[5]){3|H<1>,4|C<3>,4|C<4>}	95.2697	0.478	4	95.2697	0.229	4	95.2697	0.229	4	95.2697	0.229	4	95.7998	0.812	6	95.7792	0.679	7
226	478	722	4:SP3_SP3_SPD5	O[4]	C[4]	Si[4,4,5]	5:4:	4:2:3:3:	3:4:3:3:2:	Si[4,4,5]-5:C[4]-4:	Si[4,5]-4:O[4]-2:C[6a]-3:C[6a]-3:	C[5,6a]-3:Si[4,5]-4:N[4]-3:N[4]-3:O[4]-2:	O[4](Si[4,4,5]C[5,6a]Si[4,5]N[4]2)(C[4]Si[4,5]C[6a]2)	C[4](Si[4,5]Si[4,4,5]C[5,6a]N)(O[4]Si[4,4,5])(C[6a]C[6a]2)2	Si[4,4,5](C[5,6a]C[5,6a,6a]C[6a])(Si[4,5]C[5,6a]C[4]N)(N[4]C[4]C)2(O[4]C[4])	O[4](Si[4,4,5]C[5,6a]Si[4,5]N[4]2)(C[4]Si[4,5]C[6a]2){1|N<3>,2|C<4>,8|C<3>}	C[4](Si[4,5]Si[4,4,5]C[5,6a]N)(O[4]Si[4,4,5])(C[6a]C[6a]2)2{2|N<3>,4|H<1>,7|C<3>}	Si[4,4,5](C[5,6a]C[5,6a,6a]C[6a])(Si[4,5]C[5,6a]C[4]N)(N[4]C[4]C)2(O[4]C[4]){1|H<1>,6|C<3>}	109.5670	0.000	1	109.5670	0.000	1	109.5670	0.000	1	109.5670	0.000	1	109.5670	0.000	1	109.5670	0.000	1
226	478	742	4:SP3_SP3_SP3	O[4]	C[4]	B[4,5]	4:4:	4:2:4:4:	3:4:2:2:	B[4,5]-4:C[4]-4:	C[4]-4:O[4]-2:C-4:C-4:	N[5]-3:C[4]-4:O[4]-2:O[5]-2:	O[4](B[4,5]C[4]N[5]O[5])(C[4]C[4]CC)	C[4](C[4]B[4,5]CC)(O[4]B[4,5])(CH3)2	B[4,5](N[5]C[6a]C[5])(C[4]C[4]CC)(O[4]C[4])(O[5]B[5])	O[4](B[4,5]C[4]N[5]O[5])(C[4]C[4]CC){1|B<3>,2|C<3>,2|C<4>}	C[4](C[4]B[4,5]CC)(O[4]B[4,5])(CH3)2{1|N<3>,1|O<2>}	B[4,5](N[5]C[6a]C[5])(C[4]C[4]CC)(O[4]C[4])(O[5]B[5]){2|C<4>,4|C<3>}	91.3946	0.000	1	91.3946	0.000	1	91.3946	0.000	1	91.3946	0.000	1	91.3946	0.000	1	91.3946	0.000	1
226	478	846	4:SP2_SP2_SP3	O[4]	C[4,4]	C[4]	4:3:	4:4:4:2:	4:2:1:	C[4,4]-4:C[4]-3:	C[4]-4:C[4]-4:C[4]-4:O[4]-2:	C[4]-4:O[4]-2:O-1:	O[4](C[4,4]C[4]3)(C[4]C[4]O)	C[4,4](C[4]C[4]Cl2)(C[4]C[4]ClH)(C[4]C[4]CH)(O[4]C[4])	C[4](C[4]C[4,4]ClH)(O[4]C[4,4])(O)	O[4](C[4,4]C[4]3)(C[4]C[4]O){3|Cl<1>,2|C<4>,2|H<1>}	C[4,4](C[4]C[4]Cl2)(C[4]C[4]ClH)(C[4]C[4]CH)(O[4]C[4]){1|C<3>,1|H<1>,1|O<1>}	C[4](C[4]C[4,4]ClH)(O[4]C[4,4])(O){2|C<4>}	92.4952	0.855	2	92.4952	0.730	2	92.4952	0.730	2	92.4952	0.730	2	92.4952	0.730	2	91.6429	1.568	75
226	478	846	4:SP2_SP2_SP3	O[4]	C[4,5,5]	C[4]	4:3:	4:4:4:2:	4:2:1:	C[4,5,5]-4:C[4]-3:	C[4,5,5]-4:C[5]-4:C[5]-4:O[4]-2:	C[4,5,5]-4:O[4]-2:O-1:	O[4](C[4,5,5]C[4,5,5]C[5]2)(C[4]C[4,5,5]O)	C[4,5,5](C[4,5,5]C[4]C[5]2)(C[5]C[5]CH)2(O[4]C[4])	C[4](C[4,5,5]C[4,5,5]C[5]2)(O[4]C[4,5,5])(O)	O[4](C[4,5,5]C[4,5,5]C[5]2)(C[4]C[4,5,5]O){2|H<1>,6|C<4>}	C[4,5,5](C[4,5,5]C[4]C[5]2)(C[5]C[5]CH)2(O[4]C[4]){1|O<1>,8|H<1>}	C[4](C[4,5,5]C[4,5,5]C[5]2)(O[4]C[4,5,5])(O){4|C<4>,4|H<1>}	90.8777	0.000	1	90.8777	0.000	1	90.8777	0.000	1	91.0524	0.061	2	91.0524	0.061	2	91.6429	1.568	75
226	478	846	4:SP2_SP2_SP3	O[4]	C[4,5,5]	C[4]	4:3:	4:4:4:2:	4:2:1:	C[4,5,5]-4:C[4]-3:	C[4,5]-4:C[5,5]-4:C[5]-4:O[4]-2:	C[4,5]-4:O[4]-2:O-1:	O[4](C[4,5,5]C[4,5]C[5,5]C[5])(C[4]C[4,5]O)	C[4,5,5](C[4,5]C[4]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(O[4]C[4])	C[4](C[4,5]C[4,5,5]C[5]H)(O[4]C[4,5,5])(O)	O[4](C[4,5,5]C[4,5]C[5,5]C[5])(C[4]C[4,5]O){4|C<4>,4|H<1>}	C[4,5,5](C[4,5]C[4]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(O[4]C[4]){1|O<1>,2|C<3>,6|H<1>}	C[4](C[4,5]C[4,5,5]C[5]H)(O[4]C[4,5,5])(O){2|H<1>,3|C<4>}	91.2271	0.000	1	91.2271	0.000	1	91.2271	0.000	1	91.0524	0.061	2	91.0524	0.061	2	91.6429	1.568	75
226	478	846	4:SP2_SP2_SP3	O[4]	C[4,5]	C[4]	4:3:	4:3:4:2:	4:2:1:	C[4,5]-4:C[4]-3:	C[4,5]-4:C[6a]-3:C[5]-4:O[4]-2:	C[4,5]-4:O[4]-2:O-1:	O[4](C[4,5]C[4,5]C[6a]C[5])(C[4]C[4,5]O)	C[4,5](C[4,5]C[4]C[5]C)(C[6a]C[6a]2)(C[5]S[5]CH)(O[4]C[4])	C[4](C[4,5]C[4,5]C[5]C)(O[4]C[4,5])(O)	O[4](C[4,5]C[4,5]C[6a]C[5])(C[4]C[4,5]O){1|H<1>,1|S<2>,2|C<3>,3|C<4>}	C[4,5](C[4,5]C[4]C[5]C)(C[6a]C[6a]2)(C[5]S[5]CH)(O[4]C[4]){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[4](C[4,5]C[4,5]C[5]C)(O[4]C[4,5])(O){1|C<4>,1|O<2>,1|S<2>,2|C<3>}	91.9184	0.000	1	91.9184	0.000	1	91.3018	0.135	5	91.3018	0.135	5	91.5443	0.224	13	91.6429	1.568	75
226	478	846	4:SP2_SP2_SP3	O[4]	C[4,5]	C[4]	4:3:	4:3:4:2:	4:2:1:	C[4,5]-4:C[4]-3:	C[4,5]-4:C[6a]-3:C[5]-4:O[4]-2:	C[4,5]-4:O[4]-2:O-1:	O[4](C[4,5]C[4,5]C[6a]C[5])(C[4]C[4,5]O)	C[4,5](C[4,5]C[4]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(O[4]C[4])	C[4](C[4,5]C[4,5]C[5]H)(O[4]C[4,5])(O)	O[4](C[4,5]C[4,5]C[6a]C[5])(C[4]C[4,5]O){2|C<4>,2|H<1>,3|C<3>}	C[4,5](C[4,5]C[4]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(O[4]C[4]){1|O<1>,2|C<3>,6|H<1>}	C[4](C[4,5]C[4,5]C[5]H)(O[4]C[4,5])(O){1|C<3>,2|C<4>,2|H<1>}	91.1251	0.171	3	91.1251	0.029	3	91.3018	0.135	5	91.3018	0.135	5	91.5443	0.224	13	91.6429	1.568	75
226	478	846	4:SP2_SP2_SP3	O[4]	C[4,5]	C[4]	4:3:	4:3:4:2:	4:2:1:	C[4,5]-4:C[4]-3:	C[4,5]-4:C[6a]-3:C[5]-4:O[4]-2:	C[4,5]-4:O[4]-2:O-1:	O[4](C[4,5]C[4,5]C[6a]C[5])(C[4]C[4,5]O)	C[4,5](C[4,5]C[4]C[5]H)(C[6a]C[6a]N[6a])(C[5]C[5]HH)(O[4]C[4])	C[4](C[4,5]C[4,5]C[5]H)(O[4]C[4,5])(O)	O[4](C[4,5]C[4,5]C[6a]C[5])(C[4]C[4,5]O){1|C<3>,1|N<2>,2|C<4>,3|H<1>}	C[4,5](C[4,5]C[4]C[5]H)(C[6a]C[6a]N[6a])(C[5]C[5]HH)(O[4]C[4]){1|O<1>,3|H<1>,4|C<3>}	C[4](C[4,5]C[4,5]C[5]H)(O[4]C[4,5])(O){1|H<1>,2|C<3>,2|C<4>}	91.2155	0.000	1	91.2155	0.000	1	91.3018	0.135	5	91.3018	0.135	5	91.5443	0.224	13	91.6429	1.568	75
226	478	846	4:SP2_SP2_SP3	O[4]	C[4,5]	C[4]	4:3:	4:4:2:1:	4:2:1:	C[4,5]-4:C[4]-3:	C[4,5]-4:C[5]-4:O[4]-2:H-1:	C[4,5]-4:O[4]-2:O-1:	O[4](C[4,5]C[4,5]C[5]H)(C[4]C[4,5]O)	C[4,5](C[4,5]C[4]C[5]H)(C[5]C[5]HH)(O[4]C[4])(H)	C[4](C[4,5]C[4,5]C[5]H)(O[4]C[4,5])(O)	O[4](C[4,5]C[4,5]C[5]H)(C[4]C[4,5]O){2|C<4>,3|H<1>}	C[4,5](C[4,5]C[4]C[5]H)(C[5]C[5]HH)(O[4]C[4])(H){1|O<1>,2|C<3>,2|H<1>}	C[4](C[4,5]C[4,5]C[5]H)(O[4]C[4,5])(O){1|C<3>,2|C<4>,2|H<1>}	91.1920	0.000	1	91.1920	0.000	1	91.9659	0.282	4	91.9659	0.282	4	91.5443	0.224	13	91.6429	1.568	75
226	478	846	4:SP2_SP2_SP3	O[4]	C[4,5]	C[4]	4:3:	4:4:2:1:	4:2:1:	C[4,5]-4:C[4]-3:	C[4,5]-4:C[5]-4:O[4]-2:H-1:	C[4,5]-4:O[4]-2:O-1:	O[4](C[4,5]C[4,5]C[5]H)(C[4]C[4,5]O)	C[4,5](C[4,5]C[4]N[5]C)(C[5]C[5]CH)(O[4]C[4])(H)	C[4](C[4,5]C[4,5]N[5]C)(O[4]C[4,5])(O)	O[4](C[4,5]C[4,5]C[5]H)(C[4]C[4,5]O){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[4,5](C[4,5]C[4]N[5]C)(C[5]C[5]CH)(O[4]C[4])(H){1|H<1>,2|O<1>}	C[4](C[4,5]C[4,5]N[5]C)(O[4]C[4,5])(O){1|C<3>,1|C<4>,2|H<1>}	92.2239	0.155	3	92.2239	0.024	3	91.9659	0.282	4	91.9659	0.282	4	91.5443	0.224	13	91.6429	1.568	75
226	478	846	4:SP2_SP2_SP3	O[4]	C[4,5]	C[4]	4:3:	4:4:2:4:	4:2:1:	C[4,5]-4:C[4]-3:	C[4,5]-4:C[5]-4:O[4]-2:C-4:	C[4,5]-4:O[4]-2:O-1:	O[4](C[4,5]C[4,5]C[5]C)(C[4]C[4,5]O)	C[4,5](C[4,5]C[4]C[5]H)(C[5]C[5]HH)(O[4]C[4])(CCHH)	C[4](C[4,5]C[4,5]C[5]H)(O[4]C[4,5])(O)	O[4](C[4,5]C[4,5]C[5]C)(C[4]C[4,5]O){2|C<4>,3|H<1>}	C[4,5](C[4,5]C[4]C[5]H)(C[5]C[5]HH)(O[4]C[4])(CCHH){1|H<1>,1|O<1>,3|C<3>}	C[4](C[4,5]C[4,5]C[5]H)(O[4]C[4,5])(O){1|C<3>,1|H<1>,3|C<4>}	91.4496	0.000	1	91.4496	0.000	1	91.4257	0.080	4	91.4257	0.080	4	91.5443	0.224	13	91.6429	1.568	75
226	478	846	4:SP2_SP2_SP3	O[4]	C[4,5]	C[4]	4:3:	4:4:2:4:	4:2:1:	C[4,5]-4:C[4]-3:	C[4,5]-4:C[5]-4:O[4]-2:C-4:	C[4,5]-4:O[4]-2:O-1:	O[4](C[4,5]C[4,5]C[5]C)(C[4]C[4,5]O)	C[4,5](C[4,5]C[4]C[5]H)(C[5]C[5]HH)(O[4]C[4])(CH3)	C[4](C[4,5]C[4,5]C[5]H)(O[4]C[4,5])(O)	O[4](C[4,5]C[4,5]C[5]C)(C[4]C[4,5]O){2|C<4>,3|H<1>}	C[4,5](C[4,5]C[4]C[5]H)(C[5]C[5]HH)(O[4]C[4])(CH3){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[4](C[4,5]C[4,5]C[5]H)(O[4]C[4,5])(O){1|H<1>,4|C<4>}	91.0950	0.000	1	91.4394	0.237	2	91.4257	0.080	4	91.4257	0.080	4	91.5443	0.224	13	91.6429	1.568	75
226	478	846	4:SP2_SP2_SP3	O[4]	C[4,5]	C[4]	4:3:	4:4:2:4:	4:2:1:	C[4,5]-4:C[4]-3:	C[4,5]-4:C[5]-4:O[4]-2:C-4:	C[4,5]-4:O[4]-2:O-1:	O[4](C[4,5]C[4,5]C[5]C)(C[4]C[4,5]O)	C[4,5](C[4,5]C[4]C[5]H)(C[5]C[5]HH)(O[4]C[4])(CH3)	C[4](C[4,5]C[4,5]C[5]H)(O[4]C[4,5])(O)	O[4](C[4,5]C[4,5]C[5]C)(C[4]C[4,5]O){2|C<4>,3|H<1>}	C[4,5](C[4,5]C[4]C[5]H)(C[5]C[5]HH)(O[4]C[4])(CH3){1|O<1>,2|C<3>,2|H<1>}	C[4](C[4,5]C[4,5]C[5]H)(O[4]C[4,5])(O){2|C<3>,3|C<4>}	91.7838	0.000	1	91.4394	0.237	2	91.4257	0.080	4	91.4257	0.080	4	91.5443	0.224	13	91.6429	1.568	75
226	478	846	4:SP2_SP2_SP3	O[4]	C[4,5]	C[4]	4:3:	4:4:2:4:	4:2:1:	C[4,5]-4:C[4]-3:	C[4,5]-4:C[5]-4:O[4]-2:C-4:	C[4,5]-4:O[4]-2:O-1:	O[4](C[4,5]C[4,5]C[5]C)(C[4]C[4,5]O)	C[4,5](C[4,5]C[4]C[5]H)(C[5]N[5]CC)(O[4]C[4])(CH3)	C[4](C[4,5]C[4,5]C[5]H)(O[4]C[4,5])(O)	O[4](C[4,5]C[4,5]C[5]C)(C[4]C[4,5]O){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[4,5](C[4,5]C[4]C[5]H)(C[5]N[5]CC)(O[4]C[4])(CH3){1|C<4>,1|O<1>,2|H<1>}	C[4](C[4,5]C[4,5]C[5]H)(O[4]C[4,5])(O){1|N<3>,2|C<4>,2|H<1>}	91.3742	0.000	1	91.3742	0.000	1	91.4257	0.080	4	91.4257	0.080	4	91.5443	0.224	13	91.6429	1.568	75
226	478	846	4:SP2_SP2_SP3	O[4]	C[4,6]	C[4]	4:3:	4:4:2:1:	4:2:1:	C[4,6]-4:C[4]-3:	C[4,6]-4:C[6]-4:O[4]-2:H-1:	C[4,6]-4:O[4]-2:O-1:	O[4](C[4,6]C[4,6]C[6]H)(C[4]C[4,6]O)	C[4,6](C[4,6]C[4]C[6]H)(C[6]C[6]BrH)(O[4]C[4])(H)	C[4](C[4,6]C[4,6]C[6]H)(O[4]C[4,6])(O)	O[4](C[4,6]C[4,6]C[6]H)(C[4]C[4,6]O){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	C[4,6](C[4,6]C[4]C[6]H)(C[6]C[6]BrH)(O[4]C[4])(H){1|C<3>,1|O<1>,3|H<1>}	C[4](C[4,6]C[4,6]C[6]H)(O[4]C[4,6])(O){1|C<3>,1|C<4>,2|H<1>}	90.9012	0.000	1	90.9012	0.000	1	91.7119	0.169	6	91.6494	0.168	7	91.5218	0.196	10	91.6429	1.568	75
226	478	846	4:SP2_SP2_SP3	O[4]	C[4,6]	C[4]	4:3:	4:4:2:1:	4:2:1:	C[4,6]-4:C[4]-3:	C[4,6]-4:C[6]-4:O[4]-2:H-1:	C[4,6]-4:O[4]-2:O-1:	O[4](C[4,6]C[4,6]C[6]H)(C[4]C[4,6]O)	C[4,6](C[4,6]C[4]O[6]H)(C[6]C[6]HO)(O[4]C[4])(H)	C[4](C[4,6]C[4,6]O[6]H)(O[4]C[4,6])(O)	O[4](C[4,6]C[4,6]C[6]H)(C[4]C[4,6]O){1|C<4>,2|H<1>,2|O<2>}	C[4,6](C[4,6]C[4]O[6]H)(C[6]C[6]HO)(O[4]C[4])(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[4](C[4,6]C[4,6]O[6]H)(O[4]C[4,6])(O){1|H<1>,2|C<4>}	91.8396	0.101	4	91.8396	0.010	4	91.7119	0.169	6	91.6494	0.168	7	91.5218	0.196	10	91.6429	1.568	75
226	478	846	4:SP2_SP2_SP3	O[4]	C[4,6]	C[4]	4:3:	4:4:2:1:	4:2:1:	C[4,6]-4:C[4]-3:	C[4,6]-4:C[6]-4:O[4]-2:H-1:	C[4,6]-4:O[4]-2:O-1:	O[4](C[4,6]C[4,6]C[6]H)(C[4]C[4,6]O)	C[4,6](C[4,6]C[6,6]C[4]C)(C[6]C[6]HH)(O[4]C[4])(H)	C[4](C[4,6]C[4,6]C[6,6]C)(O[4]C[4,6])(O)	O[4](C[4,6]C[4,6]C[6]H)(C[4]C[4,6]O){2|H<1>,3|C<4>}	C[4,6](C[4,6]C[6,6]C[4]C)(C[6]C[6]HH)(O[4]C[4])(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[4](C[4,6]C[4,6]C[6,6]C)(O[4]C[4,6])(O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	92.0119	0.000	1	92.0119	0.000	1	91.7119	0.169	6	91.6494	0.168	7	91.5218	0.196	10	91.6429	1.568	75
226	478	846	4:SP2_SP2_SP3	O[4]	C[4,6]	C[4]	4:3:	4:4:2:1:	4:2:1:	C[4,6]-4:C[4]-3:	C[5,6]-4:C[4,6]-4:O[4]-2:H-1:	C[4,6]-4:O[4]-2:O-1:	O[4](C[4,6]C[4,6]C[5,6]H)(C[4]C[4,6]O)	C[4,6](C[5,6]C[5,6]N[5]H)(C[4,6]C[4]C[6]H)(O[4]C[4])(H)	C[4](C[4,6]C[4,6]C[6]H)(O[4]C[4,6])(O)	O[4](C[4,6]C[4,6]C[5,6]H)(C[4]C[4,6]O){1|N<3>,2|C<4>,2|H<1>}	C[4,6](C[5,6]C[5,6]N[5]H)(C[4,6]C[4]C[6]H)(O[4]C[4])(H){1|Br<1>,1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[4](C[4,6]C[4,6]C[6]H)(O[4]C[4,6])(O){2|C<4>,3|H<1>}	91.2747	0.000	1	91.2747	0.000	1	91.2747	0.000	1	91.6494	0.168	7	91.5218	0.196	10	91.6429	1.568	75
226	478	846	4:SP2_SP2_SP3	O[4]	C[4,6]	C[4]	4:3:	4:4:4:2:	4:2:1:	C[4,6]-4:C[4]-3:	C[4]-4:C[6]-4:C[6]-4:O[4]-2:	C[4]-4:O[4]-2:O-1:	O[4](C[4,6]C[4]C[6]2)(C[4]C[4]O)	C[4,6](C[4]C[4]CH)(C[6]C[6]HH)2(O[4]C[4])	C[4](C[4]C[4,6]CH)(O[4]C[4,6])(O)	O[4](C[4,6]C[4]C[6]2)(C[4]C[4]O){1|C<3>,2|C<4>,5|H<1>}	C[4,6](C[4]C[4]CH)(C[6]C[6]HH)2(O[4]C[4]){1|C<4>,1|O<1>,4|H<1>}	C[4](C[4]C[4,6]CH)(O[4]C[4,6])(O){2|C<4>}	91.7042	0.000	1	91.7042	0.000	1	91.4053	0.179	2	91.2240	0.188	3	91.5218	0.196	10	91.6429	1.568	75
226	478	846	4:SP2_SP2_SP3	O[4]	C[4,6]	C[4]	4:3:	4:4:4:2:	4:2:1:	C[4,6]-4:C[4]-3:	C[4]-4:C[6]-4:C[6]-4:O[4]-2:	C[4]-4:O[4]-2:O-1:	O[4](C[4,6]C[4]C[6]2)(C[4]C[4]O)	C[4,6](C[4]C[4]HH)(C[6]C[6]HH)2(O[4]C[4])	C[4](C[4]C[4,6]HH)(O[4]C[4,6])(O)	O[4](C[4,6]C[4]C[6]2)(C[4]C[4]O){2|C<4>,6|H<1>}	C[4,6](C[4]C[4]HH)(C[6]C[6]HH)2(O[4]C[4]){1|C<4>,1|O<1>,4|H<1>}	C[4](C[4]C[4,6]HH)(O[4]C[4,6])(O){2|C<4>}	91.1065	0.000	1	91.1065	0.000	1	91.4053	0.179	2	91.2240	0.188	3	91.5218	0.196	10	91.6429	1.568	75
226	478	846	4:SP2_SP2_SP3	O[4]	C[4,6]	C[4]	4:3:	4:4:4:2:	4:2:1:	C[4,6]-4:C[4]-3:	C[6]-4:C[4]-4:C[6]-4:O[4]-2:	C[4]-4:O[4]-2:O-1:	O[4](C[4,6]C[4]C[6]2)(C[4]C[4]O)	C[4,6](C[6]C[5,6]HH)(C[4]C[4]HH)(C[6]C[6]HH)(O[4]C[4])	C[4](C[4]C[4,6]HH)(O[4]C[4,6])(O)	O[4](C[4,6]C[4]C[6]2)(C[4]C[4]O){2|C<4>,6|H<1>}	C[4,6](C[6]C[5,6]HH)(C[4]C[4]HH)(C[6]C[6]HH)(O[4]C[4]){1|O<1>,2|C<4>,3|H<1>}	C[4](C[4]C[4,6]HH)(O[4]C[4,6])(O){2|C<4>}	90.8613	0.000	1	90.8613	0.000	1	90.8613	0.000	1	91.2240	0.188	3	91.5218	0.196	10	91.6429	1.568	75
226	478	846	4:SP2_SP2_SP3	O[4]	C[4]	C[4]	3:4:	3:2:4:3:	3:3:2:	C[4]-3:C[4]-4:	C[4]-3:O[4]-2:C-4:C-3:	C[6a]-3:C[4]-3:O[4]-2:	O[4](C[4]C[6a]C[4])(C[4]C[4]CC)	C[4](C[4]C[4]C)(O[4]C[4])(CF3)(COO)	C[4](C[6a]C[6a]2)(C[4]C[4]C)(O[4]C[4])	O[4](C[4]C[6a]C[4])(C[4]C[4]CC){1|C<4>,2|C<3>}	C[4](C[4]C[4]C)(O[4]C[4])(CF3)(COO){1|C<3>}	C[4](C[6a]C[6a]2)(C[4]C[4]C)(O[4]C[4]){3|C<3>,3|C<4>}	86.3819	0.000	1	86.3819	0.000	1	86.3819	0.000	1	86.3819	0.000	1	91.6839	2.304	48	91.6429	1.568	75
226	478	846	4:SP2_SP2_SP3	O[4]	C[4]	C[4]	3:4:	3:2:4:4:	3:3:2:	C[4]-3:C[4]-4:	C[4]-3:O[4]-2:C-4:C-4:	C[6a]-3:C[4]-3:O[4]-2:	O[4](C[4]C[6a]C[4])(C[4]C[4]CC)	C[4](C[4]C[4]C)(O[4]C[4])(CHHO)(CF3)	C[4](C[6a]C[6a]2)(C[4]C[4]C)(O[4]C[4])	O[4](C[4]C[6a]C[4])(C[4]C[4]CC){1|C<4>,2|C<3>}	C[4](C[4]C[4]C)(O[4]C[4])(CHHO)(CF3){1|C<3>}	C[4](C[6a]C[6a]2)(C[4]C[4]C)(O[4]C[4]){2|C<3>,2|C<4>,2|H<1>}	86.8451	0.876	2	86.8451	0.768	2	86.8451	0.768	2	86.8451	0.768	2	91.6839	2.304	48	91.6429	1.568	75
226	478	846	4:SP2_SP2_SP3	O[4]	C[4]	C[4]	4:3:	3:2:4:1:	3:2:1:	C[4]-4:C[4]-3:	C[4]-3:O[4]-2:C-4:H-1:	C[4]-3:O[4]-2:O-1:	O[4](C[4]C[4]CH)(C[4]C[4]O)	C[4](C[4]C[4]C)(O[4]C[4])(CCCH)(H)	C[4](C[4]C[4]C)(O[4]C[4])(O)	O[4](C[4]C[4]CH)(C[4]C[4]O){1|C<3>}	C[4](C[4]C[4]C)(O[4]C[4])(CCCH)(H){1|O<1>}	C[4](C[4]C[4]C)(O[4]C[4])(O){1|C<4>,1|H<1>}	91.8243	0.053	3	91.8243	0.003	3	91.6624	0.107	4	91.6624	0.107	4	91.6839	2.304	48	91.6429	1.568	75
226	478	846	4:SP2_SP2_SP3	O[4]	C[4]	C[4]	4:3:	3:2:4:1:	3:2:1:	C[4]-4:C[4]-3:	C[4]-3:O[4]-2:C-4:H-1:	C[4]-3:O[4]-2:O-1:	O[4](C[4]C[4]CH)(C[4]C[4]O)	C[4](C[4]C[4]C[5])(O[4]C[4])(CCHH)(H)	C[4](C[4]C[4]C[5])(O[4]C[4])(O)	O[4](C[4]C[4]CH)(C[4]C[4]O){1|C<3>}	C[4](C[4]C[4]C[5])(O[4]C[4])(CCHH)(H){1|C<4>,1|N<3>,1|O<1>}	C[4](C[4]C[4]C[5])(O[4]C[4])(O){1|H<1>,1|N<3>,2|C<4>}	91.1766	0.000	1	91.1766	0.000	1	91.6624	0.107	4	91.6624	0.107	4	91.6839	2.304	48	91.6429	1.568	75
226	478	846	4:SP2_SP2_SP3	O[4]	C[4]	C[4]	4:3:	3:4:2:1:	4:2:1:	C[4]-4:C[4]-3:	C[6a]-3:C[4]-4:O[4]-2:H-1:	C[4]-4:O[4]-2:O-1:	O[4](C[4]C[6a]C[4]H)(C[4]C[4]O)	C[4](C[6a]C[6a]N[6a])(C[4]C[6a]C[4]C)(O[4]C[4])(H)	C[4](C[4]C[6a]C[4]C)(O[4]C[4])(O)	O[4](C[4]C[6a]C[4]H)(C[4]C[4]O){1|C<4>,1|N<2>,2|C<3>}	C[4](C[6a]C[6a]N[6a])(C[4]C[6a]C[4]C)(O[4]C[4])(H){1|H<1>,1|O<1>,4|C<3>}	C[4](C[4]C[6a]C[4]C)(O[4]C[4])(O){1|H<1>,3|C<3>}	92.1789	0.197	3	92.1789	0.039	3	92.1789	0.039	3	92.1789	0.039	3	91.6839	2.304	48	91.6429	1.568	75
226	478	846	4:SP2_SP2_SP3	O[4]	C[4]	C[4]	4:3:	3:4:2:4:	4:2:1:	C[4]-4:C[4]-3:	C[6a]-3:C[4]-4:O[4]-2:C-4:	C[4]-4:O[4]-2:O-1:	O[4](C[4]C[6a]C[4]C)(C[4]C[4]O)	C[4](C[6a]C[6a]2)(C[4]C[4]CH)(O[4]C[4])(CF3)	C[4](C[4]C[4]CH)(O[4]C[4])(O)	O[4](C[4]C[6a]C[4]C)(C[4]C[4]O){1|H<1>,3|C<3>}	C[4](C[6a]C[6a]2)(C[4]C[4]CH)(O[4]C[4])(CF3){1|O<1>,2|C<3>,2|H<1>}	C[4](C[4]C[4]CH)(O[4]C[4])(O){1|C<3>,1|C<4>}	91.6346	0.353	2	91.6346	0.125	2	91.6346	0.125	2	91.6346	0.125	2	91.6839	2.304	48	91.6429	1.568	75
226	478	846	4:SP2_SP2_SP3	O[4]	C[4]	C[4]	4:3:	3:4:2:4:	4:2:3:	C[4]-4:C[4]-3:	C[5a]-3:C[4]-4:O[4]-2:C-4:	C[4]-4:O[4]-2:C-3:	O[4](C[4]C[5a]C[4]C)(C[4]C[4]C)	C[4](C[5a]C[5a]S[5a])(C[4]C[4]CH)(O[4]C[4])(CF3)	C[4](C[4]C[4]CH)(O[4]C[4])(CCH)	O[4](C[4]C[5a]C[4]C)(C[4]C[4]C){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[4](C[5a]C[5a]S[5a])(C[4]C[4]CH)(O[4]C[4])(CF3){1|H<1>,3|C<3>}	C[4](C[4]C[4]CH)(O[4]C[4])(CCH){1|C<3>,1|C<4>}	91.2262	0.000	1	91.2262	0.000	1	91.2262	0.000	1	91.3630	0.014	3	91.6839	2.304	48	91.6429	1.568	75
226	478	846	4:SP2_SP2_SP3	O[4]	C[4]	C[4]	4:3:	3:4:2:4:	4:2:3:	C[4]-4:C[4]-3:	C[6a]-3:C[4]-4:O[4]-2:C-4:	C[4]-4:O[4]-2:C-3:	O[4](C[4]C[6a]C[4]C)(C[4]C[4]C)	C[4](C[6a]C[6a]2)(C[4]C[4]CH)(O[4]C[4])(CF3)	C[4](C[4]C[4]CH)(O[4]C[4])(CCH)	O[4](C[4]C[6a]C[4]C)(C[4]C[4]C){1|C<4>,1|H<1>,2|C<3>}	C[4](C[6a]C[6a]2)(C[4]C[4]CH)(O[4]C[4])(CF3){2|H<1>,3|C<3>}	C[4](C[4]C[4]CH)(O[4]C[4])(CCH){1|C<3>,1|C<4>}	91.4314	0.000	2	91.4314	0.000	2	91.4314	0.000	2	91.3630	0.014	3	91.6839	2.304	48	91.6429	1.568	75
226	478	846	4:SP2_SP2_SP3	O[4]	C[4]	C[4]	4:3:	4:2:1:1:	4:2:1:	C[4]-4:C[4]-3:	C[4]-4:O[4]-2:H-1:H-1:	C[4]-4:O[4]-2:O-1:	O[4](C[4]C[4]HH)(C[4]C[4]O)	C[4](C[4]C[4]CN)(O[4]C[4])(H)2	C[4](C[4]C[4]CN)(O[4]C[4])(O)	O[4](C[4]C[4]HH)(C[4]C[4]O){1|C<4>,1|N<3>}	C[4](C[4]C[4]CN)(O[4]C[4])(H)2{1|O<1>}	C[4](C[4]C[4]CN)(O[4]C[4])(O){2|H<1>}	92.1273	0.169	5	92.1273	0.029	5	92.0147	0.099	6	92.0147	0.099	6	91.6839	2.304	48	91.6429	1.568	75
226	478	846	4:SP2_SP2_SP3	O[4]	C[4]	C[4]	4:3:	4:2:1:1:	4:2:1:	C[4]-4:C[4]-3:	C[4]-4:O[4]-2:H-1:H-1:	C[4]-4:O[4]-2:O-1:	O[4](C[4]C[4]HH)(C[4]C[4]O)	C[4](C[4]C[6a]C[4]H)(O[4]C[4])(H)2	C[4](C[4]C[6a]C[4]H)(O[4]C[4])(O)	O[4](C[4]C[4]HH)(C[4]C[4]O){1|C<3>,1|H<1>}	C[4](C[4]C[6a]C[4]H)(O[4]C[4])(H)2{1|O<1>,2|C<3>}	C[4](C[4]C[6a]C[4]H)(O[4]C[4])(O){2|C<3>,2|H<1>}	91.4521	0.000	1	91.4521	0.000	1	92.0147	0.099	6	92.0147	0.099	6	91.6839	2.304	48	91.6429	1.568	75
226	478	846	4:SP2_SP2_SP3	O[4]	C[4]	C[4]	4:3:	4:2:1:1:	4:2:2:	C[4]-4:C[4]-3:	B[4]-4:O[4]-2:H-1:H-1:	B[4]-4:O[4]-2:O-2:	O[4](C[4]B[4]HH)(C[4]B[4]O)	C[4](B[4]C[6a]2C[4])(O[4]C[4])(H)2	C[4](B[4]C[6a]2C[4])(O[4]C[4])(OZr)	O[4](C[4]B[4]HH)(C[4]B[4]O){2|C<3>}	C[4](B[4]C[6a]2C[4])(O[4]C[4])(H)2{1|O<2>,4|C<3>}	C[4](B[4]C[6a]2C[4])(O[4]C[4])(OZr){2|H<1>,4|C<3>}	95.7093	0.000	1	95.7093	0.000	1	95.7093	0.000	1	95.7093	0.000	1	91.6839	2.304	48	91.6429	1.568	75
226	478	846	4:SP2_SP2_SP3	O[4]	C[4]	C[4]	4:3:	4:2:3:1:	4:2:1:	C[4]-4:C[4]-3:	C[4,6]-4:O[4]-2:C-3:H-1:	C[4,6]-4:O[4]-2:O-1:	O[4](C[4]C[4,6]CH)(C[4]C[4,6]O)	C[4](C[4,6]C[4]C[6]2)(O[4]C[4])(COO)(H)	C[4](C[4,6]C[4]C[6]2)(O[4]C[4])(O)	O[4](C[4]C[4,6]CH)(C[4]C[4,6]O){2|C<4>}	C[4](C[4,6]C[4]C[6]2)(O[4]C[4])(COO)(H){1|O<1>,2|C<4>,4|H<1>}	C[4](C[4,6]C[4]C[6]2)(O[4]C[4])(O){1|C<3>,2|C<4>,5|H<1>}	91.7495	0.077	2	91.7495	0.006	2	91.7495	0.006	2	91.9544	0.129	3	91.6839	2.304	48	91.6429	1.568	75
226	478	846	4:SP2_SP2_SP3	O[4]	C[4]	C[4]	4:3:	4:2:3:1:	4:2:1:	C[4]-4:C[4]-3:	C[4]-4:O[4]-2:C-3:H-1:	C[4]-4:O[4]-2:O-1:	O[4](C[4]C[4]CH)(C[4]C[4]O)	C[4](C[4]C[6a]C[4]C)(O[4]C[4])(CC[6a]O)(H)	C[4](C[4]C[6a]C[4]C)(O[4]C[4])(O)	O[4](C[4]C[4]CH)(C[4]C[4]O){1|C<3>,1|C<4>}	C[4](C[4]C[6a]C[4]C)(O[4]C[4])(CC[6a]O)(H){1|O<1>,2|C<3>}	C[4](C[4]C[6a]C[4]C)(O[4]C[4])(O){1|H<1>,3|C<3>}	92.3640	0.000	1	92.3640	0.000	1	92.3640	0.000	1	91.9544	0.129	3	91.6839	2.304	48	91.6429	1.568	75
226	478	846	4:SP2_SP2_SP3	O[4]	C[4]	C[4]	4:3:	4:2:4:1:	4:2:1:	C[4]-4:C[4]-3:	C[4]-4:O[4]-2:C-4:H-1:	C[4]-4:O[4]-2:O-1:	O[4](C[4]C[4]CH)(C[4]C[4]O)	C[4](C[4]C[4]CC)(O[4]C[4])(CH3)(H)	C[4](C[4]C[4]CC)(O[4]C[4])(O)	O[4](C[4]C[4]CH)(C[4]C[4]O){1|C<3>,1|C<4>}	C[4](C[4]C[4]CC)(O[4]C[4])(CH3)(H){1|O<1>}	C[4](C[4]C[4]CC)(O[4]C[4])(O){1|C<4>,1|H<1>}	92.6434	0.000	1	92.6434	0.000	1	91.9143	0.395	5	91.9143	0.395	5	91.6839	2.304	48	91.6429	1.568	75
226	478	846	4:SP2_SP2_SP3	O[4]	C[4]	C[4]	4:3:	4:2:4:1:	4:2:1:	C[4]-4:C[4]-3:	C[4]-4:O[4]-2:C-4:H-1:	C[4]-4:O[4]-2:O-1:	O[4](C[4]C[4]CH)(C[4]C[4]O)	C[4](C[4]C[4]CH)(O[4]C[4])(CH3)(H)	C[4](C[4]C[4]CH)(O[4]C[4])(O)	O[4](C[4]C[4]CH)(C[4]C[4]O){1|C<3>,1|H<1>}	C[4](C[4]C[4]CH)(O[4]C[4])(CH3)(H){1|O<1>}	C[4](C[4]C[4]CH)(O[4]C[4])(O){1|C<4>,1|H<1>}	91.3007	0.000	1	91.3007	0.000	1	91.9143	0.395	5	91.9143	0.395	5	91.6839	2.304	48	91.6429	1.568	75
226	478	846	4:SP2_SP2_SP3	O[4]	C[4]	C[4]	4:3:	4:2:4:1:	4:2:1:	C[4]-4:C[4]-3:	C[4]-4:O[4]-2:C-4:H-1:	C[4]-4:O[4]-2:O-1:	O[4](C[4]C[4]CH)(C[4]C[4]O)	C[4](C[4]C[4]SiC)(O[4]C[4])(CCHH)(H)	C[4](C[4]C[4]SiC)(O[4]C[4])(O)	O[4](C[4]C[4]CH)(C[4]C[4]O){1|Si<4>,1|C<4>}	C[4](C[4]C[4]SiC)(O[4]C[4])(CCHH)(H){1|O<1>}	C[4](C[4]C[4]SiC)(O[4]C[4])(O){1|C<4>,1|H<1>}	91.3050	0.000	1	91.3050	0.000	1	91.9143	0.395	5	91.9143	0.395	5	91.6839	2.304	48	91.6429	1.568	75
226	478	846	4:SP2_SP2_SP3	O[4]	C[4]	C[4]	4:3:	4:2:4:1:	4:2:1:	C[4]-4:C[4]-3:	C[4]-4:O[4]-2:C-4:H-1:	C[4]-4:O[4]-2:O-1:	O[4](C[4]C[4]CH)(C[4]C[4]O)	C[4](C[4]C[6a]C[4]H)(O[4]C[4])(CH3)(H)	C[4](C[4]C[6a]C[4]H)(O[4]C[4])(O)	O[4](C[4]C[4]CH)(C[4]C[4]O){1|C<3>,1|H<1>}	C[4](C[4]C[6a]C[4]H)(O[4]C[4])(CH3)(H){1|O<1>,2|C<3>}	C[4](C[4]C[6a]C[4]H)(O[4]C[4])(O){1|C<4>,1|H<1>,2|C<3>}	92.1611	0.424	2	92.1611	0.180	2	91.9143	0.395	5	91.9143	0.395	5	91.6839	2.304	48	91.6429	1.568	75
226	478	846	4:SP2_SP2_SP3	O[4]	C[4]	C[4]	4:3:	4:2:4:3:	4:2:1:	C[4]-4:C[4]-3:	C[4]-4:O[4]-2:C-4:C-3:	C[4]-4:O[4]-2:O-1:	O[4](C[4]C[4]CC)(C[4]C[4]O)	C[4](C[4]C[4]BrC)(O[4]C[4])(CH3)(COO)	C[4](C[4]C[4]BrC)(O[4]C[4])(O)	O[4](C[4]C[4]CC)(C[4]C[4]O){1|Br<1>,1|C<4>}	C[4](C[4]C[4]BrC)(O[4]C[4])(CH3)(COO){1|O<1>}	C[4](C[4]C[4]BrC)(O[4]C[4])(O){1|C<3>,1|C<4>}	92.6884	0.304	2	92.6884	0.092	2	92.6884	0.092	2	92.6884	0.092	2	91.6839	2.304	48	91.6429	1.568	75
226	478	846	4:SP2_SP2_SP3	O[4]	C[4]	C[4]	4:3:	4:3:2:1:	3:2:1:	C[4]-4:C[4]-3:	C[6]-4:C[4]-3:O[4]-2:H-1:	C[4]-3:O[4]-2:O-1:	O[4](C[4]C[4]C[6]H)(C[4]C[4]O)	C[4](C[6]C[6]2H)(C[4]C[4]C)(O[4]C[4])(H)	C[4](C[4]C[4]C)(O[4]C[4])(O)	O[4](C[4]C[4]C[6]H)(C[4]C[4]O){1|C<3>,1|H<1>,2|C<4>}	C[4](C[6]C[6]2H)(C[4]C[4]C)(O[4]C[4])(H){1|O<1>,2|C<4>,4|H<1>}	C[4](C[4]C[4]C)(O[4]C[4])(O){1|C<4>,1|H<1>}	92.4805	0.000	1	92.4805	0.000	1	92.4805	0.000	1	92.4805	0.000	1	91.6839	2.304	48	91.6429	1.568	75
226	478	846	4:SP2_SP2_SP3	O[4]	C[4]	C[4]	4:3:	4:3:2:1:	4:2:1:	C[4]-4:C[4]-3:	C[4]-4:C[6a]-3:O[4]-2:H-1:	C[4]-4:O[4]-2:O-1:	O[4](C[4]C[6a]C[4]H)(C[4]C[4]O)	C[4](C[4]C[6a]2C[4])(C[6a]C[6a]2)(O[4]C[4])(H)	C[4](C[4]C[6a]2C[4])(O[4]C[4])(O)	O[4](C[4]C[6a]C[4]H)(C[4]C[4]O){4|C<3>}	C[4](C[4]C[6a]2C[4])(C[6a]C[6a]2)(O[4]C[4])(H){1|O<1>,2|H<1>,6|C<3>}	C[4](C[4]C[6a]2C[4])(O[4]C[4])(O){1|H<1>,5|C<3>}	92.1597	0.000	1	92.1597	0.000	1	92.0162	0.272	6	92.0162	0.272	6	91.6839	2.304	48	91.6429	1.568	75
226	478	846	4:SP2_SP2_SP3	O[4]	C[4]	C[4]	4:3:	4:3:2:1:	4:2:1:	C[4]-4:C[4]-3:	C[4]-4:C[6a]-3:O[4]-2:H-1:	C[4]-4:O[4]-2:O-1:	O[4](C[4]C[6a]C[4]H)(C[4]C[4]O)	C[4](C[4]C[6a]C[4]C)(C[6a]C[6a]2)(O[4]C[4])(H)	C[4](C[4]C[6a]C[4]C)(O[4]C[4])(O)	O[4](C[4]C[6a]C[4]H)(C[4]C[4]O){1|C<4>,3|C<3>}	C[4](C[4]C[6a]C[4]C)(C[6a]C[6a]2)(O[4]C[4])(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[4](C[4]C[6a]C[4]C)(O[4]C[4])(O){1|H<1>,3|C<3>}	91.5122	0.032	2	91.6100	0.029	3	92.0162	0.272	6	92.0162	0.272	6	91.6839	2.304	48	91.6429	1.568	75
226	478	846	4:SP2_SP2_SP3	O[4]	C[4]	C[4]	4:3:	4:3:2:1:	4:2:1:	C[4]-4:C[4]-3:	C[4]-4:C[6a]-3:O[4]-2:H-1:	C[4]-4:O[4]-2:O-1:	O[4](C[4]C[6a]C[4]H)(C[4]C[4]O)	C[4](C[4]C[6a]C[4]C)(C[6a]C[6a]2)(O[4]C[4])(H)	C[4](C[4]C[6a]C[4]C)(O[4]C[4])(O)	O[4](C[4]C[6a]C[4]H)(C[4]C[4]O){1|C<4>,3|C<3>}	C[4](C[4]C[6a]C[4]C)(C[6a]C[6a]2)(O[4]C[4])(H){1|O<1>,2|H<1>,4|C<3>}	C[4](C[4]C[6a]C[4]C)(O[4]C[4])(O){1|H<1>,3|C<3>}	91.8054	0.000	1	91.6100	0.029	3	92.0162	0.272	6	92.0162	0.272	6	91.6839	2.304	48	91.6429	1.568	75
226	478	846	4:SP2_SP2_SP3	O[4]	C[4]	C[4]	4:3:	4:3:2:1:	4:2:1:	C[4]-4:C[4]-3:	C[4]-4:C[6a]-3:O[4]-2:H-1:	C[4]-4:O[4]-2:O-1:	O[4](C[4]C[6a]C[4]H)(C[4]C[4]O)	C[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(O[4]C[4])(H)	C[4](C[4]C[6a]C[4]H)(O[4]C[4])(O)	O[4](C[4]C[6a]C[4]H)(C[4]C[4]O){1|H<1>,3|C<3>}	C[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(O[4]C[4])(H){1|O<1>,2|H<1>,4|C<3>}	C[4](C[4]C[6a]C[4]H)(O[4]C[4])(O){1|H<1>,3|C<3>}	92.5539	0.454	2	92.5539	0.206	2	92.0162	0.272	6	92.0162	0.272	6	91.6839	2.304	48	91.6429	1.568	75
226	478	846	4:SP2_SP2_SP3	O[4]	C[4]	C[4]	4:3:	4:3:2:4:	4:2:1:	C[4]-4:C[4]-3:	C[4]-4:C[6a]-3:O[4]-2:C-4:	C[4]-4:O[4]-2:O-1:	O[4](C[4]C[6a]C[4]C)(C[4]C[4]O)	C[4](C[4]C[6a]C[4]C)(C[6a]C[6a]2)(O[4]C[4])(CF3)	C[4](C[4]C[6a]C[4]C)(O[4]C[4])(O)	O[4](C[4]C[6a]C[4]C)(C[4]C[4]O){1|C<4>,3|C<3>}	C[4](C[4]C[6a]C[4]C)(C[6a]C[6a]2)(O[4]C[4])(CF3){1|O<1>,2|H<1>,4|C<3>}	C[4](C[4]C[6a]C[4]C)(O[4]C[4])(O){1|C<4>,3|C<3>}	92.1007	0.000	1	92.1007	0.000	1	91.8839	0.082	4	91.8839	0.082	4	91.6839	2.304	48	91.6429	1.568	75
226	478	846	4:SP2_SP2_SP3	O[4]	C[4]	C[4]	4:3:	4:3:2:4:	4:2:1:	C[4]-4:C[4]-3:	C[4]-4:C[6a]-3:O[4]-2:C-4:	C[4]-4:O[4]-2:O-1:	O[4](C[4]C[6a]C[4]C)(C[4]C[4]O)	C[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(O[4]C[4])(CCFF)	C[4](C[4]C[6a]C[4]H)(O[4]C[4])(O)	O[4](C[4]C[6a]C[4]C)(C[4]C[4]O){1|H<1>,3|C<3>}	C[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(O[4]C[4])(CCFF){1|O<1>,2|H<1>,4|C<3>}	C[4](C[4]C[6a]C[4]H)(O[4]C[4])(O){1|C<4>,3|C<3>}	91.9608	0.000	1	91.9608	0.000	1	91.8839	0.082	4	91.8839	0.082	4	91.6839	2.304	48	91.6429	1.568	75
226	478	846	4:SP2_SP2_SP3	O[4]	C[4]	C[4]	4:3:	4:3:2:4:	4:2:1:	C[4]-4:C[4]-3:	C[4]-4:C[6a]-3:O[4]-2:C-4:	C[4]-4:O[4]-2:O-1:	O[4](C[4]C[6a]C[4]C)(C[4]C[4]O)	C[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(O[4]C[4])(CF3)	C[4](C[4]C[6a]C[4]H)(O[4]C[4])(O)	O[4](C[4]C[6a]C[4]C)(C[4]C[4]O){1|H<1>,3|C<3>}	C[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(O[4]C[4])(CF3){1|O<1>,2|H<1>,4|C<3>}	C[4](C[4]C[6a]C[4]H)(O[4]C[4])(O){1|C<4>,3|C<3>}	91.7371	0.387	2	91.7371	0.150	2	91.8839	0.082	4	91.8839	0.082	4	91.6839	2.304	48	91.6429	1.568	75
226	478	846	4:SP2_SP2_SP3	O[4]	C[4]	C[4]	4:3:	4:4:2:1:	4:2:1:	C[4]-4:C[4]-3:	C[5]-4:C[4]-4:O[4]-2:H-1:	C[4]-4:O[4]-2:O-1:	O[4](C[4]C[4]C[5]H)(C[4]C[4]O)	C[4](C[5]C[5]O[5]H)(C[4]C[4]CC)(O[4]C[4])(H)	C[4](C[4]C[4]CC)(O[4]C[4])(O)	O[4](C[4]C[4]C[5]H)(C[4]C[4]O){1|H<1>,1|O<2>,3|C<4>}	C[4](C[5]C[5]O[5]H)(C[4]C[4]CC)(O[4]C[4])(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[4](C[4]C[4]CC)(O[4]C[4])(O){1|C<4>,1|H<1>}	91.7562	0.074	2	91.7562	0.005	2	91.7562	0.005	2	91.7562	0.005	2	91.6839	2.304	48	91.6429	1.568	75
226	478	846	4:SP2_SP2_SP3	O[4]	C[4]	C[4]	4:3:	4:4:4:2:	4:2:1:	C[4]-4:C[4]-3:	C[4]-4:C-4:C-4:O[4]-2:	C[4]-4:O[4]-2:O-1:	O[4](C[4]C[4]CC)(C[4]C[4]O)	C[4](C[4]C[4]FF)(CC[6a]HH)2(O[4]C[4])	C[4](C[4]C[4]FF)(O[4]C[4])(O)	O[4](C[4]C[4]CC)(C[4]C[4]O){2|F<1>}	C[4](C[4]C[4]FF)(CC[6a]HH)2(O[4]C[4]){1|O<1>}	C[4](C[4]C[4]FF)(O[4]C[4])(O){2|C<4>}	93.9192	0.000	1	93.9192	0.000	1	91.9913	2.922	3	91.9913	2.922	3	91.6839	2.304	48	91.6429	1.568	75
226	478	846	4:SP2_SP2_SP3	O[4]	C[4]	C[4]	4:3:	4:4:4:2:	4:2:1:	C[4]-4:C[4]-3:	C[4]-4:C-4:C-4:O[4]-2:	C[4]-4:O[4]-2:O-1:	O[4](C[4]C[4]CC)(C[4]C[4]O)	C[4](C[4]C[4]HH)(CC[6a]HH)2(O[4]C[4])	C[4](C[4]C[4]HH)(O[4]C[4])(O)	O[4](C[4]C[4]CC)(C[4]C[4]O){2|H<1>}	C[4](C[4]C[4]HH)(CC[6a]HH)2(O[4]C[4]){1|O<1>}	C[4](C[4]C[4]HH)(O[4]C[4])(O){2|C<4>}	91.0273	0.517	2	91.0273	0.268	2	91.9913	2.922	3	91.9913	2.922	3	91.6839	2.304	48	91.6429	1.568	75
226	478	882	4:SP3_SP3_SP3	O[4]	C[4]	P[4]	4:3:	4:2:4:1:	4:2:4:	C[4]-4:P[4]-3:	C[4]-4:O[4]-2:C-4:H-1:	C[4]-4:O[4]-2:C-4:	O[4](C[4]C[4]CH)(P[4]C[4]C)	C[4](C[4]P[4]HH)(O[4]P[4])(CH3)(H)	P[4](C[4]C[4]HH)(O[4]C[4])(CC[6a]3)	O[4](C[4]C[4]CH)(P[4]C[4]C){2|H<1>}	C[4](C[4]P[4]HH)(O[4]P[4])(CH3)(H){1|C<4>}	P[4](C[4]C[4]HH)(O[4]C[4])(CC[6a]3){1|C<4>,1|H<1>}	94.0016	1.878	2	94.0016	3.526	2	94.0016	3.526	2	94.0016	3.526	2	94.0016	3.526	2	94.0016	3.526	2
226	478	907	4:SP3_SP3_SP3	O[4]	C[4,5]	Ge[4]	4:4:	4:3:2:2:	4:3:3:2:	C[4,5]-4:Ge[4]-4:	C[4,5]-4:C[5]-3:O[4]-2:O[5]-2:	C[4,5]-4:C[6a]-3:C[6a]-3:O[4]-2:	O[4](C[4,5]C[4,5]C[5]O[5])(Ge[4]C[4,5]C[6a]2)	C[4,5](C[4,5]C[5,6a]2Ge[4])(C[5]C[5]H)(O[4]Ge[4])(O[5]C[5])	Ge[4](C[4,5]C[5,6a]2C[4,5])(C[6a]C[6a]2)2(O[4]C[4,5])	O[4](C[4,5]C[4,5]C[5]O[5])(Ge[4]C[4,5]C[6a]2){1|H<1>,8|C<3>}	C[4,5](C[4,5]C[5,6a]2Ge[4])(C[5]C[5]H)(O[4]Ge[4])(O[5]C[5]){1|H<1>,1|O<1>,6|C<3>}	Ge[4](C[4,5]C[5,6a]2C[4,5])(C[6a]C[6a]2)2(O[4]C[4,5]){1|O<2>,4|C<4>,9|C<3>}	93.8087	0.000	1	93.8087	0.000	1	93.8087	0.000	1	93.8087	0.000	1	93.8087	0.000	1	94.4688	0.871	2
226	478	907	4:SP3_SP3_SP3	O[4]	C[4]	Ge[4]	4:4:	3:2:3:1:	3:3:2:4:	Ge[4]-4:C[4]-4:	C[4]-3:O[4]-2:C-3:H-1:	C[6a]-3:C[4]-3:O[4]-2:C-4:	O[4](Ge[4]C[6a]C[4]C)(C[4]C[4]CH)	C[4](C[4]Ge[4]P)(O[4]Ge[4])(CCH)(H)	Ge[4](C[6a]C[6a]2)(C[4]C[4]P)(O[4]C[4])(CC3)	O[4](Ge[4]C[6a]C[4]C)(C[4]C[4]CH){1|P<2>,2|C<3>}	C[4](C[4]Ge[4]P)(O[4]Ge[4])(CCH)(H){1|C<3>,1|C<4>}	Ge[4](C[6a]C[6a]2)(C[4]C[4]P)(O[4]C[4])(CC3){1|H<1>,2|C<4>,3|C<3>}	95.1289	0.000	1	95.1289	0.000	1	95.1289	0.000	1	95.1289	0.000	1	95.1289	0.000	1	94.4688	0.871	2
226	478	982	4:SP3_SP3_SPD5	O[4]	C[4]	Ge[3,3,4]	5:4:	5:2:3:4:	5:3:3:4:2:	Ge[3,3,4]-5:C[4]-4:	Ge[3,3,4]-5:O[4]-2:C[6a]-3:C-4:	Ge[3,3,4]-5:N[3]-3:N[3]-3:B[3,3]-4:O[4]-2:	O[4](Ge[3,3,4]Ge[3,3,4]B[3,3]N[3]2)(C[4]Ge[3,3,4]C[6a]C)	C[4](Ge[3,3,4]Ge[3,3,4]B[3,3]N[3]2)(O[4]Ge[3,3,4])(C[6a]C[6a]2)(CF3)	Ge[3,3,4](Ge[3,3,4]B[3,3]C[4]N[3]2)(N[3]B[3,3]C[6a])2(B[3,3]N[3]2N)(O[4]C[4])	O[4](Ge[3,3,4]Ge[3,3,4]B[3,3]N[3]2)(C[4]Ge[3,3,4]C[6a]C){1|B<4>,3|N<3>,4|C<3>}	C[4](Ge[3,3,4]Ge[3,3,4]B[3,3]N[3]2)(O[4]Ge[3,3,4])(C[6a]C[6a]2)(CF3){1|B<4>,2|H<1>,3|N<3>,4|C<3>}	Ge[3,3,4](Ge[3,3,4]B[3,3]C[4]N[3]2)(N[3]B[3,3]C[6a])2(B[3,3]N[3]2N)(O[4]C[4]){1|C<4>,1|N<3>,7|C<3>}	112.0650	0.000	1	112.0650	0.000	1	112.0650	0.000	1	112.0650	0.000	1	112.0650	0.000	1	112.0650	0.000	1
226	478	996	4:SP3_SP3_SP3	O[4]	C[4]	Si[4,5]	4:4:	4:3:3:2:	4:4:2:4:	Si[4,5]-4:C[4]-4:	Ge[4,5]-4:C[6a]-3:C[6a]-3:O[4]-2:	Ge[4,5]-4:Si[5]-4:O[4]-2:Si-4:	O[4](Si[4,5]Ge[4,5]Si[5]Si)(C[4]Ge[4,5]C[6a]2)	C[4](Ge[4,5]Si[4,5]Si[5]Si)(C[6a]C[6a]2)2(O[4]Si[4,5])	Si[4,5](Ge[4,5]Si[5]C[4]Si)(Si[5]Si[5]CC)(O[4]C[4])(SiC3)	O[4](Si[4,5]Ge[4,5]Si[5]Si)(C[4]Ge[4,5]C[6a]2){3|Si<4>,2|C<4>,4|C<3>}	C[4](Ge[4,5]Si[4,5]Si[5]Si)(C[6a]C[6a]2)2(O[4]Si[4,5]){5|Si<4>,4|C<3>,4|H<1>}	Si[4,5](Ge[4,5]Si[5]C[4]Si)(Si[5]Si[5]CC)(O[4]C[4])(SiC3){2|Si<4>,2|C<3>,2|C<4>}	109.2530	0.000	1	109.2530	0.000	1	109.2530	0.000	1	109.2530	0.000	1	109.2530	0.000	1	103.3084	70.677	2
226	478	996	4:SP3_SP3_SP3	O[4]	C[4]	Si[4]	4:4:	3:3:3:2:	3:3:3:2:	Si[4]-4:C[4]-4:	C[6a]-3:C[6a]-3:C[4]-3:O[4]-2:	C[6a]-3:C[6a]-3:C[4]-3:O[4]-2:	O[4](Si[4]C[6a]2C[4])(C[4]C[6a]2C[4])	C[4](C[6a]C[6a]2)2(C[4]Si[4]C)(O[4]Si[4])	Si[4](C[6a]C[6a]2)2(C[4]C[4]C)(O[4]C[4])	O[4](Si[4]C[6a]2C[4])(C[4]C[6a]2C[4]){9|C<3>}	C[4](C[6a]C[6a]2)2(C[4]Si[4]C)(O[4]Si[4]){4|H<1>,6|C<3>}	Si[4](C[6a]C[6a]2)2(C[4]C[4]C)(O[4]C[4]){4|C<4>,6|C<3>}	97.3638	0.000	1	97.3638	0.000	1	97.3638	0.000	1	97.3638	0.000	1	97.3638	0.000	1	103.3084	70.677	2
226	566	566	4:SP3_SPD6_SPD6	O[4]	Ga[4,5,5]	Ga[4,5,5]	6:6:	3:3:3:3:2:2:	3:3:3:3:2:2:	Ga[4,5,5]-6:Ga[4,5,5]-6:	N[5,6]-3:N[5,6]-3:N[5,6]-3:N[5,6]-3:O[4]-2:O[4]-2:	N[5,6]-3:N[5,6]-3:N[5,6]-3:N[5,6]-3:O[4]-2:O[4]-2:	O[4](Ga[4,5,5]N[5,6]4O[4])2	Ga[4,5,5](N[5,6]C[5,6]C[6])4(O[4]Ga[4,5,5])2	Ga[4,5,5](N[5,6]C[5,6]C[6])4(O[4]Ga[4,5,5])2	O[4](Ga[4,5,5]N[5,6]4O[4])2{16|C<3>}	Ga[4,5,5](N[5,6]C[5,6]C[6])4(O[4]Ga[4,5,5])2{4|H<1>,4|N<3>,8|C<3>}	Ga[4,5,5](N[5,6]C[5,6]C[6])4(O[4]Ga[4,5,5])2{4|H<1>,4|N<3>,8|C<3>}	103.1552	1.132	4	103.1552	1.281	4	103.1552	1.281	4	103.1552	1.281	4	103.1552	1.281	4	103.1552	1.281	4
226	686	686	4:SP3_SPD5_SPD5	O[4]	Ge[4,5]	Ge[4,5]	5:5:	2:2:3:3:1:	2:2:3:3:1:	Ge[4,5]-5:Ge[4,5]-5:	O[4]-2:O[4]-2:N[5]-3:N[5]-3:Cl-1:	O[4]-2:O[4]-2:N[5]-3:N[5]-3:Cl-1:	O[4](Ge[4,5]N[5]2O[4]Cl)2	Ge[4,5](O[4]Ge[4,5])2(N[5]C[5]C)2(Cl)	Ge[4,5](O[4]Ge[4,5])2(N[5]C[5]C)2(Cl)	O[4](Ge[4,5]N[5]2O[4]Cl)2{4|C<3>,4|C<4>}	Ge[4,5](O[4]Ge[4,5])2(N[5]C[5]C)2(Cl){1|Cl<1>,2|C<3>,2|N<3>}	Ge[4,5](O[4]Ge[4,5])2(N[5]C[5]C)2(Cl){1|Cl<1>,2|C<3>,2|N<3>}	96.7119	0.000	1	96.7119	0.000	1	96.7119	0.000	1	96.7119	0.000	1	96.5611	0.075	4	96.5611	0.075	4
226	686	686	4:SP3_SPD5_SPD5	O[4]	Ge[4,5]	Ge[4,5]	5:5:	2:2:3:3:2:	2:2:3:3:2:	Ge[4,5]-5:Ge[4,5]-5:	O[4]-2:O[4]-2:N[5]-3:N[5]-3:O-2:	O[4]-2:O[4]-2:N[5]-3:N[5]-3:O-2:	O[4](Ge[4,5]N[5]2O[4]O)2	Ge[4,5](O[4]Ge[4,5])2(N[5]C[5]C)2(OSi)	Ge[4,5](O[4]Ge[4,5])2(N[5]C[5]C)2(OSi)	O[4](Ge[4,5]N[5]2O[4]O)2{4|C<3>,4|C<4>}	Ge[4,5](O[4]Ge[4,5])2(N[5]C[5]C)2(OSi){1|O<2>,2|C<3>,2|N<3>}	Ge[4,5](O[4]Ge[4,5])2(N[5]C[5]C)2(OSi){1|O<2>,2|C<3>,2|N<3>}	96.8100	0.000	1	96.8100	0.000	1	96.8100	0.000	1	96.8100	0.000	1	96.5611	0.075	4	96.5611	0.075	4
226	686	686	4:SP3_SPD5_SPD5	O[4]	Ge[4,5]	Ge[4,5]	5:5:	2:2:3:3:3:	2:2:3:3:3:	Ge[4,5]-5:Ge[4,5]-5:	O[4]-2:O[4]-2:N[5]-3:N[5]-3:N-3:	O[4]-2:O[4]-2:N[5]-3:N[5]-3:N-3:	O[4](Ge[4,5]N[5]2O[4]N)2	Ge[4,5](O[4]Ge[4,5])2(N[5]C[5]C)2(NC[6a]C)	Ge[4,5](O[4]Ge[4,5])2(N[5]C[5]C)2(NC[6a]C)	O[4](Ge[4,5]N[5]2O[4]N)2{4|C<3>,4|C<4>}	Ge[4,5](O[4]Ge[4,5])2(N[5]C[5]C)2(NC[6a]C){2|C<3>,3|N<3>}	Ge[4,5](O[4]Ge[4,5])2(N[5]C[5]C)2(NC[6a]C){2|C<3>,3|N<3>}	96.5343	0.000	1	96.5343	0.000	1	96.5343	0.000	1	96.5343	0.000	1	96.5611	0.075	4	96.5611	0.075	4
226	686	686	4:SP3_SPD5_SPD5	O[4]	Ge[4,5]	Ge[4,5]	5:5:	3:2:2:3:3:	3:2:2:3:3:	Ge[4,5]-5:Ge[4,5]-5:	N[5a]-3:O[4]-2:O[4]-2:N[5]-3:N[5]-3:	N[5a]-3:O[4]-2:O[4]-2:N[5]-3:N[5]-3:	O[4](Ge[4,5]N[5a]N[5]2O[4])2	Ge[4,5](N[5a]C[5a]2)(O[4]Ge[4,5])2(N[5]C[5]C)2	Ge[4,5](N[5a]C[5a]2)(O[4]Ge[4,5])2(N[5]C[5]C)2	O[4](Ge[4,5]N[5a]N[5]2O[4])2{4|C<4>,8|C<3>}	Ge[4,5](N[5a]C[5a]2)(O[4]Ge[4,5])2(N[5]C[5]C)2{2|H<1>,3|N<3>,4|C<3>}	Ge[4,5](N[5a]C[5a]2)(O[4]Ge[4,5])2(N[5]C[5]C)2{2|H<1>,3|N<3>,4|C<3>}	96.1884	0.000	1	96.1884	0.000	1	96.1884	0.000	1	96.1884	0.000	1	96.5611	0.075	4	96.5611	0.075	4
226	722	722	4:SP3_SPD5_SPD5	O[4]	Si[4,4,5]	Si[4,4]	5:5:	6:3:2:3:3:	3:2:3:3:2:	Si[4,4,5]-5:Si[4,4]-5:	C[5x3,6x5,20x6]-6:C[4,5]-3:O[4]-2:N[4]-3:N[4]-3:	C[4,5]-3:O[4]-2:N[4]-3:N[4]-3:O-2:	O[4](Si[4,4,5]C[5x3,6x5,20x6]C[4,5]N[4]2)(Si[4,4]C[4,5]N[4]2O)	Si[4,4,5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[4,5]Si[4,4]C[5])(O[4]Si[4,4])(N[4]C[4]C)2	Si[4,4](C[4,5]Si[4,4,5]C[5])(O[4]Si[4,4,5])(N[4]C[4]C)2(OC[5])	O[4](Si[4,4,5]C[5x3,6x5,20x6]C[4,5]N[4]2)(Si[4,4]C[4,5]N[4]2O){1|C<6>,3|C<3>,4|B<6>,4|C<4>}	Si[4,4,5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[4,5]Si[4,4]C[5])(O[4]Si[4,4])(N[4]C[4]C)2{1|C<3>,2|N<3>,2|O<2>,4|H<1>,5|B<6>}	Si[4,4](C[4,5]Si[4,4,5]C[5])(O[4]Si[4,4,5])(N[4]C[4]C)2(OC[5]){1|C<3>,1|O<2>,2|C<6>,2|N<3>}	104.0055	0.103	2	104.0055	0.011	2	104.0055	0.011	2	104.0055	0.011	2	104.0055	0.011	2	98.0642	21.190	6
226	722	722	4:SP3_SPD5_SPD5	O[4]	Si[4,4]	Si[4,4]	5:5:	2:2:3:3:3:	2:2:3:3:3:	Si[4,4]-5:Si[4,4]-5:	O[4]-2:O[4]-2:N[4]-3:N[4]-3:N-3:	O[4]-2:O[4]-2:N[4]-3:N[4]-3:N-3:	O[4](Si[4,4]N[4]2O[4]N)2	Si[4,4](O[4]Si[4,4])2(N[4]C[4]C)2(NCC)	Si[4,4](O[4]Si[4,4])2(N[4]C[4]C)2(NCC)	O[4](Si[4,4]N[4]2O[4]N)2{2|C<3>,4|C<4>}	Si[4,4](O[4]Si[4,4])2(N[4]C[4]C)2(NCC){1|C<3>,3|N<3>}	Si[4,4](O[4]Si[4,4])2(N[4]C[4]C)2(NCC){1|C<3>,3|N<3>}	95.0152	0.027	2	95.0152	0.001	2	95.0996	0.022	3	95.0996	0.022	3	95.0936	0.015	4	98.0642	21.190	6
226	722	722	4:SP3_SPD5_SPD5	O[4]	Si[4,4]	Si[4,4]	5:5:	2:2:3:3:3:	2:2:3:3:3:	Si[4,4]-5:Si[4,4]-5:	O[4]-2:O[4]-2:N[4]-3:N[4]-3:N-3:	O[4]-2:O[4]-2:N[4]-3:N[4]-3:N-3:	O[4](Si[4,4]N[4]2O[4]N)2	Si[4,4](O[4]Si[4,4])2(N[4]C[4]C)2(NC[6a]2)	Si[4,4](O[4]Si[4,4])2(N[4]C[4]C)2(NC[6a]2)	O[4](Si[4,4]N[4]2O[4]N)2{2|C<3>,4|C<4>}	Si[4,4](O[4]Si[4,4])2(N[4]C[4]C)2(NC[6a]2){1|C<3>,3|N<3>}	Si[4,4](O[4]Si[4,4])2(N[4]C[4]C)2(NC[6a]2){1|C<3>,3|N<3>}	95.2686	0.000	1	95.2686	0.000	1	95.0996	0.022	3	95.0996	0.022	3	95.0936	0.015	4	98.0642	21.190	6
226	722	722	4:SP3_SPD5_SPD5	O[4]	Si[4,4]	Si[4,4]	5:5:	2:2:3:3:4:	2:2:3:3:4:	Si[4,4]-5:Si[4,4]-5:	O[4]-2:O[4]-2:N[4]-3:N[4]-3:C-4:	O[4]-2:O[4]-2:N[4]-3:N[4]-3:C-4:	O[4](Si[4,4]N[4]2O[4]C)2	Si[4,4](O[4]Si[4,4])2(N[4]C[4]C)2(CC[6a]2H)	Si[4,4](O[4]Si[4,4])2(N[4]C[4]C)2(CC[6a]2H)	O[4](Si[4,4]N[4]2O[4]C)2{2|C<3>,4|C<4>}	Si[4,4](O[4]Si[4,4])2(N[4]C[4]C)2(CC[6a]2H){1|C<3>,1|C<4>,2|N<3>}	Si[4,4](O[4]Si[4,4])2(N[4]C[4]C)2(CC[6a]2H){1|C<3>,1|C<4>,2|N<3>}	95.0754	0.000	1	95.0754	0.000	1	95.0754	0.000	1	95.0754	0.000	1	95.0936	0.015	4	98.0642	21.190	6
226	722	846	4:SP2_SP2_SPD5	O[4]	Si[4,4]	C[4]	5:3:	5:3:3:2:2:	2:2:1:	Si[4,4]-5:C[4]-3:	C[3x3,4,3x5,14x6]-5:N[4]-3:N[4]-3:O[4]-2:O[4]-2:	O[4]-2:O[4]-2:O-1:	O[4](Si[4,4]C[3x3,4,3x5,14x6]N[4]2O[4])(C[4]O[4]O)	Si[4,4](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(N[4]C[4]C)2(O[4]C[4])2	C[4](O[4]Si[4,4])2(O)	O[4](Si[4,4]C[3x3,4,3x5,14x6]N[4]2O[4])(C[4]O[4]O){1|C<3>,2|C<4>,4|B<6>}	Si[4,4](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(N[4]C[4]C)2(O[4]C[4])2{1|C<3>,1|C<5>,1|O<1>,4|H<1>,5|B<6>}	C[4](O[4]Si[4,4])2(O){1|C<5>,2|N<3>}	90.5968	1.065	2	90.5968	1.134	2	90.5968	1.134	2	90.5968	1.134	2	90.5968	1.134	2	90.5968	1.134	2
226	722	996	4:SP3_SP3_SPD5	O[4]	Si[4,4]	Si[4,6]	5:4:	4:3:2:3:3:	4:3:2:3:	Si[4,4]-5:Si[4,6]-4:	Si[4,3x6]-4:C[6a]-3:O[4]-2:N[4]-3:N[4]-3:	Si[4,3x6]-4:C[6a]-3:O[4]-2:N[6]-3:	O[4](Si[4,4]Si[4,3x6]C[6a]N[4]2)(Si[4,6]Si[4,3x6]C[6a]N[6])	Si[4,4](Si[4,3x6]Si[4,6,6]Si[4,6]C[4x6])(C[6a]C[6,6a]C[6a])(O[4]Si[4,6])(N[4]C[4]C)2	Si[4,6](Si[4,3x6]Si[4,6,6]Si[4,4]C[4x6])(C[6a]C[6,6a]C[6a])(O[4]Si[4,4])(N[6]C[6]C)	O[4](Si[4,4]Si[4,3x6]C[6a]N[4]2)(Si[4,6]Si[4,3x6]C[6a]N[6]){1|Si<4>,4|C<4>,6|C<3>}	Si[4,4](Si[4,3x6]Si[4,6,6]Si[4,6]C[4x6])(C[6a]C[6,6a]C[6a])(O[4]Si[4,6])(N[4]C[4]C)2{1|Si<4>,1|Si<5>,1|C<4>,1|N<3>,1|O<2>,2|H<1>,6|C<3>}	Si[4,6](Si[4,3x6]Si[4,6,6]Si[4,4]C[4x6])(C[6a]C[6,6a]C[6a])(O[4]Si[4,4])(N[6]C[6]C){1|Si<4>,1|Si<5>,1|C<4>,1|N<2>,1|O<2>,2|H<1>,2|N<3>,5|C<3>}	115.6830	0.000	1	115.6830	0.000	1	115.6830	0.000	1	115.6830	0.000	1	115.6830	0.000	1	116.2510	0.645	2
226	722	996	4:SP3_SP3_SPD5	O[4]	Si[4,4]	Si[4]	5:4:	4:3:3:3:2:	4:3:2:3:	Si[4,4]-5:Si[4]-4:	Si[4,6,6]-4:C[6a]-3:N[4]-3:N[4]-3:O[4]-2:	Si[4,6,6]-4:C[6a]-3:O[4]-2:N-3:	O[4](Si[4,4]Si[4,6,6]C[6a]N[4]2)(Si[4]Si[4,6,6]C[6a]N)	Si[4,4](Si[4,6,6]Si[4,3x6]C[3x6]Si[4])(C[6a]C[6,6a]C[6a])(N[4]C[4]C)2(O[4]Si[4])	Si[4](Si[4,6,6]Si[4,3x6]Si[4,4]C[3x6])(C[6a]C[6,6a]C[6a])(O[4]Si[4,4])(NCC)	O[4](Si[4,4]Si[4,6,6]C[6a]N[4]2)(Si[4]Si[4,6,6]C[6a]N){1|Si<4>,3|C<4>,5|C<3>}	Si[4,4](Si[4,6,6]Si[4,3x6]C[3x6]Si[4])(C[6a]C[6,6a]C[6a])(N[4]C[4]C)2(O[4]Si[4]){1|Si<4>,1|Si<5>,1|C<4>,1|N<3>,1|O<2>,2|H<1>,6|C<3>}	Si[4](Si[4,6,6]Si[4,3x6]Si[4,4]C[3x6])(C[6a]C[6,6a]C[6a])(O[4]Si[4,4])(NCC){1|Si<4>,1|Si<5>,1|C<4>,1|O<2>,2|H<1>,2|N<3>,5|C<3>}	116.8190	0.000	1	116.8190	0.000	1	116.8190	0.000	1	116.8190	0.000	1	116.8190	0.000	1	116.2510	0.645	2
226	742	846	4:SP2_SP2_SP3	O[4]	B[4,5]	C[4]	4:3:	3:3:3:2:	3:2:1:	B[4,5]-4:C[4]-3:	N[4]-3:N[5]-3:C[5]-3:O[4]-2:	N[4]-3:O[4]-2:O-1:	O[4](B[4,5]C[5]N[4]N[5])(C[4]N[4]O)	B[4,5](N[4]C[6a]C[4])(N[5]C[6a]C[5])(C[5]C[5]C)(O[4]C[4])	C[4](N[4]B[4,5]C[6a])(O[4]B[4,5])(O)	O[4](B[4,5]C[5]N[4]N[5])(C[4]N[4]O){1|C<4>,4|C<3>}	B[4,5](N[4]C[6a]C[4])(N[5]C[6a]C[5])(C[5]C[5]C)(O[4]C[4]){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[4](N[4]B[4,5]C[6a])(O[4]B[4,5])(O){1|N<3>,3|C<3>}	88.4793	0.000	1	88.4793	0.000	1	88.4793	0.000	1	88.4793	0.000	1	89.7574	3.267	2	89.7574	3.267	2
226	742	846	4:SP2_SP2_SP3	O[4]	B[4,5]	C[4]	4:3:	4:3:3:2:	4:2:1:	B[4,5]-4:C[4]-3:	C[4,5]-4:N[5,6]-3:C[6a]-3:O[4]-2:	C[4,5]-4:O[4]-2:O-1:	O[4](B[4,5]C[4,5]N[5,6]C[6a])(C[4]C[4,5]O)	B[4,5](C[4,5]C[6a]C[4]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(O[4]C[4])	C[4](C[4,5]B[4,5]C[6a]C[5])(O[4]B[4,5])(O)	O[4](B[4,5]C[4,5]N[5,6]C[6a])(C[4]C[4,5]O){6|C<3>}	B[4,5](C[4,5]C[6a]C[4]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(O[4]C[4]){1|O<1>,3|H<1>,7|C<3>}	C[4](C[4,5]B[4,5]C[6a]C[5])(O[4]B[4,5])(O){1|N<3>,5|C<3>}	91.0355	0.000	1	91.0355	0.000	1	91.0355	0.000	1	91.0355	0.000	1	89.7574	3.267	2	89.7574	3.267	2
226	802	802	0:SP3_SP-NON_SP-NON	O[4]	H[4]	H[4]	2:2:	2:2:	2:2:	H[4]-2:H[4]-2:	O[4]-2:O[4]-2:	O[4]-2:O[4]-2:	O[4](H[4]O[4])2	H[4](O[4]H[4])2	H[4](O[4]H[4])2	O[4](H[4]O[4])2	H[4](O[4]H[4])2	H[4](O[4]H[4])2	98.1224	0.709	2	98.1224	0.503	2	98.1224	0.503	2	98.1224	0.503	2	98.1224	0.503	2	98.1224	0.503	2
226	846	846	4:SP2_SP2_SP2	O[4,4]	C[3x4]	C[3x4]	3:3:	3:2:2:	3:2:2:	C[3x4]-3:C[3x4]-3:	C[4,4]-3:C[4,4]-2:O[4,4]-2:	C[4,4]-3:C[4,4]-2:O[4,4]-2:	O[4,4](C[3x4]C[4,4]2)2	C[3x4](C[4,4]C[3x4]N)(C[4,4]C[3x4])(O[4,4]C[3x4])	C[3x4](C[4,4]C[3x4]N)(C[4,4]C[3x4])(O[4,4]C[3x4])	O[4,4](C[3x4]C[4,4]2)2{1|N<4>}	C[3x4](C[4,4]C[3x4]N)(C[4,4]C[3x4])(O[4,4]C[3x4])	C[3x4](C[4,4]C[3x4]N)(C[4,4]C[3x4])(O[4,4]C[3x4])	68.3008	0.000	1	68.3008	0.000	1	68.3008	0.000	1	68.3008	0.000	1	68.3008	0.000	1	68.3008	0.000	1
226	846	878	4:SP2_SP-NON_SP2	O[4]	C[4]	Ga[4]	3:4:	3:2:2:	2:2:4:4:	C[4]-3:Ga[4]-4:	C[6a]-3:O[4]-2:O[4]-2:	O[4]-2:O[4]-2:C-4:C-4:	O[4](C[4]C[6a]O[4])(Ga[4]O[4]CC)	C[4](C[6a]C[6a]2)(O[4]Ga[4])2	Ga[4](O[4]C[4])2(CSi2H)2	O[4](C[4]C[6a]O[4])(Ga[4]O[4]CC){2|C<3>}	C[4](C[6a]C[6a]2)(O[4]Ga[4])2{2|C<3>,2|C<4>,2|H<1>}	Ga[4](O[4]C[4])2(CSi2H)2{1|C<3>}	88.7151	0.320	2	88.7151	0.102	2	88.7151	0.102	2	88.7151	0.102	2	88.7151	0.102	2	88.7151	0.102	2
226	846	907	4:SP2_SP2_SP3	O[4]	C[4]	Ge[4]	4:3:	2:2:1:	3:3:2:2:	Ge[4]-4:C[4]-3:	O[4]-2:O[4]-2:O-1:	C[6a]-3:C[6a]-3:O[4]-2:O[4]-2:	O[4](Ge[4]C[6a]2O[4])(C[4]O[4]O)	C[4](O[4]Ge[4])2(O)	Ge[4](C[6a]C[5,6a]2)2(O[4]C[4])2	O[4](Ge[4]C[6a]2O[4])(C[4]O[4]O){4|C<3>}	C[4](O[4]Ge[4])2(O){2|C<3>}	Ge[4](C[6a]C[5,6a]2)2(O[4]C[4])2{1|O<1>,4|C<3>,4|C<4>}	90.9703	0.000	1	90.9703	0.000	1	90.9703	0.000	1	90.9703	0.000	1	90.9703	0.000	1	90.9703	0.000	1
226	846	996	4:SP2_SP2_SP3	O[4]	C[4]	Si[4,5]	4:3:	2:2:2:	4:4:2:2:	Si[4,5]-4:C[4]-3:	O[4]-2:O[4]-2:N-2:	C[5]-4:C[5]-4:O[4]-2:O[4]-2:	O[4](Si[4,5]C[5]2O[4])(C[4]O[4]N)	C[4](O[4]Si[4,5])2(NC[6a])	Si[4,5](C[5]C[5]Si2)2(O[4]C[4])2	O[4](Si[4,5]C[5]2O[4])(C[4]O[4]N){4|Si<4>,2|C<4>}	C[4](O[4]Si[4,5])2(NC[6a]){2|C<4>}	Si[4,5](C[5]C[5]Si2)2(O[4]C[4])2{1|N<2>,4|H<1>}	89.7250	0.533	2	89.7250	0.284	2	89.7250	0.284	2	89.7250	0.284	2	89.9629	0.646	4	89.3294	0.583	10
226	846	996	4:SP2_SP2_SP3	O[4]	C[4]	Si[4,5]	4:3:	3:2:1:	3:3:3:2:	Si[4,5]-4:C[4]-3:	N[4]-3:O[4]-2:O-1:	N[4]-3:N[5]-3:N[5]-3:O[4]-2:	O[4](Si[4,5]N[4]N[5]2)(C[4]N[4]O)	C[4](N[4]Si[4,5]B[5a])(O[4]Si[4,5])(O)	Si[4,5](N[4]B[5a]C[4])(N[5]C[6a]C[5])2(O[4]C[4])	O[4](Si[4,5]N[4]N[5]2)(C[4]N[4]O){1|B<3>,4|C<3>}	C[4](N[4]Si[4,5]B[5a])(O[4]Si[4,5])(O){4|N<3>}	Si[4,5](N[4]B[5a]C[4])(N[5]C[6a]C[5])2(O[4]C[4]){1|O<1>,2|H<1>,2|N<3>,4|C<3>}	91.0459	0.000	1	91.0459	0.000	1	91.0459	0.000	1	91.0459	0.000	1	89.9629	0.646	4	89.3294	0.583	10
226	846	996	4:SP2_SP2_SP3	O[4]	C[4]	Si[4,5]	4:3:	3:3:2:	3:4:4:2:	Si[4,5]-4:C[4]-3:	C[4]-3:C[6a]-3:O[4]-2:	C[4]-3:C[5]-4:C[5]-4:O[4]-2:	O[4](Si[4,5]C[4]C[5]2)(C[4]C[6a]C[4])	C[4](C[4]Si[4,5]C[6a])(C[6a]C[6a]2)(O[4]Si[4,5])	Si[4,5](C[4]C[6a]C[4])(C[5]C[5]Si2)2(O[4]C[4])	O[4](Si[4,5]C[4]C[5]2)(C[4]C[6a]C[4]){4|Si<4>,2|C<4>,3|C<3>}	C[4](C[4]Si[4,5]C[6a])(C[6a]C[6a]2)(O[4]Si[4,5]){2|C<4>,2|H<1>,4|C<3>}	Si[4,5](C[4]C[6a]C[4])(C[5]C[5]Si2)2(O[4]C[4]){3|C<3>,4|H<1>}	89.3556	0.000	1	89.3556	0.000	1	89.3556	0.000	1	89.3556	0.000	1	89.9629	0.646	4	89.3294	0.583	10
226	846	996	4:SP2_SP2_SP3	O[4]	C[4]	Si[4]	4:3:	2:2:1:	2:2:2:2:	Si[4]-4:C[4]-3:	O[4]-2:O[4]-2:O-1:	O[4]-2:O[4]-2:N-2:O-2:	O[4](Si[4]O[4]NO)(C[4]O[4]O)	C[4](O[4]Si[4])2(O)	Si[4](O[4]C[4])2(NC[5])(OSi)	O[4](Si[4]O[4]NO)(C[4]O[4]O)	C[4](O[4]Si[4])2(O){1|N<2>,1|O<2>}	Si[4](O[4]C[4])2(NC[5])(OSi){1|O<1>}	88.7003	0.084	4	88.7003	0.007	4	88.7003	0.007	4	88.7003	0.007	4	88.9071	0.126	6	89.3294	0.583	10
226	846	996	4:SP2_SP2_SP3	O[4]	C[4]	Si[4]	4:3:	2:2:1:	2:2:4:2:	Si[4]-4:C[4]-3:	O[4]-2:O[4]-2:O-1:	O[4]-2:O[4]-2:Si-4:N-2:	O[4](Si[4]O[4]SiN)(C[4]O[4]O)	C[4](O[4]Si[4])2(O)	Si[4](O[4]C[4])2(SiSi3)(NC[5])	O[4](Si[4]O[4]SiN)(C[4]O[4]O)	C[4](O[4]Si[4])2(O){1|Si<4>,1|N<2>}	Si[4](O[4]C[4])2(SiSi3)(NC[5]){1|O<1>}	89.3208	0.310	2	89.3208	0.096	2	89.3208	0.096	2	89.3208	0.096	2	88.9071	0.126	6	89.3294	0.583	10
226	898	902	4:SP2_SP1_SP2	O[4]	C[4]	C[3,4]	3:2:	3:2:	3:2:2:	C[3,4]-3:C[4]-2:	C[3,4]-3:O[4]-2:	C[3,4]-3:C[3]-2:O[4]-2:	O[4](C[3,4]C[3,4]C[3])(C[4]C[3,4])	C[4](C[3,4]C[3,4]C[3])(O[4]C[3,4])	C[3,4](C[3,4]C[3]C[4])(C[3]C[3,4])(O[4]C[4])	O[4](C[3,4]C[3,4]C[3])(C[4]C[3,4])	C[4](C[3,4]C[3,4]C[3])(O[4]C[3,4])	C[3,4](C[3,4]C[3]C[4])(C[3]C[3,4])(O[4]C[4])	101.7440	0.000	1	101.7440	0.000	1	101.7440	0.000	1	101.7440	0.000	1	101.7440	0.000	1	101.7440	0.000	1
226	996	996	4:SP3_SP3_SP3	O[4]	Si[4,5]	Si[4,5]	4:4:	4:4:2:2:	4:4:2:2:	Si[4,5]-4:Si[4,5]-4:	C[5]-4:C[5]-4:O[4]-2:O[4]-2:	C[5]-4:C[5]-4:O[4]-2:O[4]-2:	O[4](Si[4,5]C[5]2O[4])2	Si[4,5](C[5]C[5]Si2)2(O[4]Si[4,5])2	Si[4,5](C[5]C[5]Si2)2(O[4]Si[4,5])2	O[4](Si[4,5]C[5]2O[4])2{8|Si<4>,4|C<4>}	Si[4,5](C[5]C[5]Si2)2(O[4]Si[4,5])2{2|C<4>,4|H<1>}	Si[4,5](C[5]C[5]Si2)2(O[4]Si[4,5])2{2|C<4>,4|H<1>}	93.4685	0.006	2	93.4685	0.000	2	93.4685	0.000	2	93.4685	0.000	2	93.4685	0.000	2	95.3563	8.787	4
226	996	996	4:SP3_SP3_SP3	O[4]	Si[4]	Si[4]	4:4:	2:2:4:3:	2:2:4:3:	Si[4]-4:Si[4]-4:	O[4]-2:O[4]-2:C-4:N-3:	O[4]-2:O[4]-2:C-4:N-3:	O[4](Si[4]O[4]CN)2	Si[4](O[4]Si[4])2(CC3)(NCC)	Si[4](O[4]Si[4])2(CC3)(NCC)	O[4](Si[4]O[4]CN)2	Si[4](O[4]Si[4])2(CC3)(NCC){1|C<4>,1|N<3>}	Si[4](O[4]Si[4])2(CC3)(NCC){1|C<4>,1|N<3>}	94.7840	0.000	1	94.7840	0.000	1	94.7840	0.000	1	94.7840	0.000	1	97.2442	12.105	2	95.3563	8.787	4
226	996	996	4:SP3_SP3_SP3	O[4]	Si[4]	Si[4]	4:4:	4:3:2:3:	4:3:2:3:	Si[4]-4:Si[4]-4:	C[5]-4:C[4]-3:O[4]-2:N-3:	C[5]-4:C[4]-3:O[4]-2:N-3:	O[4](Si[4]C[4]C[5]N)2	Si[4](C[5]C[5]2Fe)(C[4]Si[4]C)(O[4]Si[4])(NCC)	Si[4](C[5]C[5]2Fe)(C[4]Si[4]C)(O[4]Si[4])(NCC)	O[4](Si[4]C[4]C[5]N)2{1|Fe<10>,1|C<2>,4|C<4>}	Si[4](C[5]C[5]2Fe)(C[4]Si[4]C)(O[4]Si[4])(NCC){1|N<3>,2|H<1>,3|C<4>}	Si[4](C[5]C[5]2Fe)(C[4]Si[4]C)(O[4]Si[4])(NCC){1|N<3>,2|H<1>,3|C<4>}	99.7043	0.000	1	99.7043	0.000	1	99.7043	0.000	1	99.7043	0.000	1	97.2442	12.105	2	95.3563	8.787	4
230	474	830	0:SPD6_SP-NON_SP3	S	C[5]	F	4:1:1:1:1:1:	4:4:6:1:	6:	C[5]-4:F-1:F-1:F-1:F-1:F-1:	C[5]-4:C[5]-4:S-6:H-1:	S-6:	S(C[5]C[5]2H)(F)5	C[5](C[5]C[5]CH)(C[5]N[5]HH)(SF5)(H)	F(SC[5]F4)	S(C[5]C[5]2H)(F)5	C[5](C[5]C[5]CH)(C[5]N[5]HH)(SF5)(H){1|C<4>,2|H<1>}	F(SC[5]F4)	110.1490	38.220	5	110.1490	1460.753	5	110.1490	1460.753	5	110.1490	1460.753	5	110.1490	1460.753	5	110.1490	1460.753	5
230	490	830	0:SPD6_SP-NON_SP3	S	C	F	4:1:1:1:1:1:	4:6:1:1:	6:	C-4:F-1:F-1:F-1:F-1:F-1:	C-4:S-6:F-1:F-1:	S-6:	S(CCFF)(F)5	C(CC[6a]FF)(SF5)(F)2	F(SCF4)	S(CCFF)(F)5	C(CC[6a]FF)(SF5)(F)2	F(SCF4)	108.2372	38.780	5	108.2372	1503.906	5	108.2372	1503.906	5	109.1584	1237.212	20	109.1624	1209.267	30	109.1624	1209.267	30
230	490	830	0:SPD6_SP-NON_SP3	S	C	F	4:1:1:1:1:1:	4:6:1:1:	6:	C-4:F-1:F-1:F-1:F-1:F-1:	C-4:S-6:H-1:H-1:	S-6:	S(CCHH)(F)5	C(CCHH)(SF5)(H)2	F(SCF4)	S(CCHH)(F)5	C(CCHH)(SF5)(H)2	F(SCF4)	109.7285	38.091	5	109.7285	1450.950	5	109.4839	1287.472	10	109.1584	1237.212	20	109.1624	1209.267	30	109.1624	1209.267	30
230	490	830	0:SPD6_SP-NON_SP3	S	C	F	4:1:1:1:1:1:	4:6:1:1:	6:	C-4:F-1:F-1:F-1:F-1:F-1:	C-4:S-6:H-1:H-1:	S-6:	S(CCHH)(F)5	C(CFFS)(SF5)(H)2	F(SCF4)	S(CCHH)(F)5	C(CFFS)(SF5)(H)2	F(SCF4)	109.2394	38.023	5	109.2394	1445.714	5	109.4839	1287.472	10	109.1584	1237.212	20	109.1624	1209.267	30	109.1624	1209.267	30
230	490	830	0:SPD6_SP-NON_SP3	S	C	F	4:1:1:1:1:1:	4:6:1:1:	6:	C-4:F-1:F-1:F-1:F-1:F-1:	C[4]-4:S-6:H-1:H-1:	S-6:	S(CC[4]HH)(F)5	C(C[4]C[4]N[4]H)(SF5)(H)2	F(SCF4)	S(CC[4]HH)(F)5	C(C[4]C[4]N[4]H)(SF5)(H)2	F(SCF4)	109.4287	38.401	5	109.4287	1474.621	5	109.4287	1474.621	5	109.1584	1237.212	20	109.1624	1209.267	30	109.1624	1209.267	30
230	490	830	0:SPD6_SP-NON_SP3	S	C	F	4:1:1:1:1:1:	4:6:3:1:	6:	C-4:F-1:F-1:F-1:F-1:F-1:	C-4:S-6:C-3:H-1:	S-6:	S(CCCH)(F)5	C(CC[6a]HO)(SF5)(COO)(H)	F(SCF4)	S(CCCH)(F)5	C(CC[6a]HO)(SF5)(COO)(H)	F(SCF4)	109.2444	37.778	5	109.2444	1427.160	5	109.2444	1427.160	5	109.2444	1427.160	5	109.1624	1209.267	30	109.1624	1209.267	30
230	490	830	0:SPD6_SP-NON_SP3	S	C	F	4:1:1:1:1:1:	6:4:1:1:	6:	C-4:F-1:F-1:F-1:F-1:F-1:	S-6:S-4:F-1:F-1:	S-6:	S(CFFS)(F)5	C(SF5)(SO3)(F)2	F(SCF4)	S(CFFS)(F)5	C(SF5)(SO3)(F)2	F(SCF4)	109.0963	38.252	5	109.0963	1463.253	5	109.0963	1463.253	5	109.0963	1463.253	5	109.1624	1209.267	30	109.1624	1209.267	30
230	643	727	0:SPD6_SP2_SP2	S	C[6a]	C[5a]	3:3:1:1:1:1:	3:2:6:	3:2:6:	C[5a]-3:C[6a]-3:F-1:F-1:F-1:F-1:	C[6a]-3:N[6a]-2:S-6:	C[5a]-3:N[5a]-2:S-6:	S(C[5a]C[5a]N[5a])(C[6a]C[6a]N[6a])(F)4	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC[5a]F4)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(SC[6a]F4)	S(C[5a]C[5a]N[5a])(C[6a]C[6a]N[6a])(F)4	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC[5a]F4){1|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(SC[6a]F4){1|C<4>,2|C<3>}	178.8110	0.000	1	178.8110	0.000	1	178.8110	0.000	1	178.8110	0.000	1	178.3805	0.371	2	178.3805	0.371	2
230	643	727	0:SPD6_SP2_SP2	S	C[6a]	C[5a]	3:3:1:1:1:1:	3:2:6:	3:3:6:	C[5a]-3:C[6a]-3:F-1:F-1:F-1:F-1:	C[6a]-3:N[6a]-2:S-6:	C[5a]-3:N[5a]-3:S-6:	S(C[5a]C[5a]N[5a])(C[6a]C[6a]N[6a])(F)4	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC[5a]F4)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(SC[6a]F4)	S(C[5a]C[5a]N[5a])(C[6a]C[6a]N[6a])(F)4	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC[5a]F4){1|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(SC[6a]F4){2|C<3>}	177.9500	0.000	1	177.9500	0.000	1	177.9500	0.000	1	177.9500	0.000	1	178.3805	0.371	2	178.3805	0.371	2
230	643	830	0:SPD6_SP-NON_SP2	S	C[6a]	F	3:1:1:1:1:1:	3:2:6:	6:	C[6a]-3:F-1:F-1:F-1:F-1:F-1:	C[6a]-3:N[6a]-2:S-6:	S-6:	S(C[6a]C[6a]N[6a])(F)5	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SF5)	F(SC[6a]F4)	S(C[6a]C[6a]N[6a])(F)5	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SF5){1|C<3>,2|H<1>}	F(SC[6a]F4)	109.2681	39.112	5	109.2681	1529.739	5	109.2681	1529.739	5	109.2681	1529.739	5	109.7305	1217.839	286	109.7305	1217.839	286
230	643	830	0:SPD6_SP-NON_SP2	S	C[6a]	F	3:1:1:1:1:1:	3:3:6:	6:	C[6a]-3:F-1:F-1:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:S-6:	S-6:	S(C[6a]C[6a]2)(F)5	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C)(SF5)	F(SC[6a]F4)	S(C[6a]C[6a]2)(F)5	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C)(SF5){1|C<4>,2|C<3>}	F(SC[6a]F4)	110.2569	38.728	5	110.2569	1499.876	5	110.6078	1254.484	269	110.6078	1254.484	269	109.7305	1217.839	286	109.7305	1217.839	286
230	643	830	0:SPD6_SP-NON_SP2	S	C[6a]	F	3:1:1:1:1:1:	3:3:6:	6:	C[6a]-3:F-1:F-1:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:S-6:	S-6:	S(C[6a]C[6a]2)(F)5	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(SF5)	F(SC[6a]F4)	S(C[6a]C[6a]2)(F)5	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(SF5){1|C<3>,1|C<4>,1|H<1>}	F(SC[6a]F4)	109.9980	39.026	5	109.9969	1274.174	20	110.6078	1254.484	269	110.6078	1254.484	269	109.7305	1217.839	286	109.7305	1217.839	286
230	643	830	0:SPD6_SP-NON_SP2	S	C[6a]	F	3:1:1:1:1:1:	3:3:6:	6:	C[6a]-3:F-1:F-1:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:S-6:	S-6:	S(C[6a]C[6a]2)(F)5	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(SF5)	F(SC[6a]F4)	S(C[6a]C[6a]2)(F)5	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(SF5){1|C<3>,1|H<1>,1|N<3>}	F(SC[6a]F4)	109.9342	38.988	5	109.9969	1274.174	20	110.6078	1254.484	269	110.6078	1254.484	269	109.7305	1217.839	286	109.7305	1217.839	286
230	643	830	0:SPD6_SP-NON_SP2	S	C[6a]	F	3:1:1:1:1:1:	3:3:6:	6:	C[6a]-3:F-1:F-1:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:S-6:	S-6:	S(C[6a]C[6a]2)(F)5	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(SF5)	F(SC[6a]F4)	S(C[6a]C[6a]2)(F)5	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(SF5){1|H<1>,2|C<3>}	F(SC[6a]F4)	110.0277	36.571	10	109.9969	1274.174	20	110.6078	1254.484	269	110.6078	1254.484	269	109.7305	1217.839	286	109.7305	1217.839	286
230	643	830	0:SPD6_SP-NON_SP2	S	C[6a]	F	3:1:1:1:1:1:	3:3:6:	6:	C[6a]-3:F-1:F-1:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:S-6:	S-6:	S(C[6a]C[6a]2)(F)5	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(SF5)	F(SC[6a]F4)	S(C[6a]C[6a]2)(F)5	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(SF5){1|C<3>,1|H<1>,1|N<2>}	F(SC[6a]F4)	111.5708	38.574	9	111.5708	1487.938	9	110.6078	1254.484	269	110.6078	1254.484	269	109.7305	1217.839	286	109.7305	1217.839	286
230	643	830	0:SPD6_SP-NON_SP2	S	C[6a]	F	3:1:1:1:1:1:	3:3:6:	6:	C[6a]-3:F-1:F-1:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:S-6:	S-6:	S(C[6a]C[6a]2)(F)5	C[6a](C[6a]C[6a]H)2(SF5)	F(SC[6a]F4)	S(C[6a]C[6a]2)(F)5	C[6a](C[6a]C[6a]H)2(SF5){1|C<3>,1|H<1>,1|I<1>}	F(SC[6a]F4)	121.1855	50.400	3	110.6303	1256.722	235	110.6078	1254.484	269	110.6078	1254.484	269	109.7305	1217.839	286	109.7305	1217.839	286
230	643	830	0:SPD6_SP-NON_SP2	S	C[6a]	F	3:1:1:1:1:1:	3:3:6:	6:	C[6a]-3:F-1:F-1:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:S-6:	S-6:	S(C[6a]C[6a]2)(F)5	C[6a](C[6a]C[6a]H)2(SF5)	F(SC[6a]F4)	S(C[6a]C[6a]2)(F)5	C[6a](C[6a]C[6a]H)2(SF5){1|C<3>,1|H<1>,1|N<2>}	F(SC[6a]F4)	121.1919	50.831	3	110.6303	1256.722	235	110.6078	1254.484	269	110.6078	1254.484	269	109.7305	1217.839	286	109.7305	1217.839	286
230	643	830	0:SPD6_SP-NON_SP2	S	C[6a]	F	3:1:1:1:1:1:	3:3:6:	6:	C[6a]-3:F-1:F-1:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:S-6:	S-6:	S(C[6a]C[6a]2)(F)5	C[6a](C[6a]C[6a]H)2(SF5)	F(SC[6a]F4)	S(C[6a]C[6a]2)(F)5	C[6a](C[6a]C[6a]H)2(SF5){1|C<3>,1|H<1>,1|N<3>}	F(SC[6a]F4)	109.7792	36.027	15	110.6303	1256.722	235	110.6078	1254.484	269	110.6078	1254.484	269	109.7305	1217.839	286	109.7305	1217.839	286
230	643	830	0:SPD6_SP-NON_SP2	S	C[6a]	F	3:1:1:1:1:1:	3:3:6:	6:	C[6a]-3:F-1:F-1:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:S-6:	S-6:	S(C[6a]C[6a]2)(F)5	C[6a](C[6a]C[6a]H)2(SF5)	F(SC[6a]F4)	S(C[6a]C[6a]2)(F)5	C[6a](C[6a]C[6a]H)2(SF5){1|C<3>,2|H<1>}	F(SC[6a]F4)	110.2280	35.135	128	110.6303	1256.722	235	110.6078	1254.484	269	110.6078	1254.484	269	109.7305	1217.839	286	109.7305	1217.839	286
230	643	830	0:SPD6_SP-NON_SP2	S	C[6a]	F	3:1:1:1:1:1:	3:3:6:	6:	C[6a]-3:F-1:F-1:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:S-6:	S-6:	S(C[6a]C[6a]2)(F)5	C[6a](C[6a]C[6a]H)2(SF5)	F(SC[6a]F4)	S(C[6a]C[6a]2)(F)5	C[6a](C[6a]C[6a]H)2(SF5){1|H<1>,2|C<3>}	F(SC[6a]F4)	110.6819	36.126	24	110.6303	1256.722	235	110.6078	1254.484	269	110.6078	1254.484	269	109.7305	1217.839	286	109.7305	1217.839	286
230	643	830	0:SPD6_SP-NON_SP2	S	C[6a]	F	3:1:1:1:1:1:	3:3:6:	6:	C[6a]-3:F-1:F-1:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:S-6:	S-6:	S(C[6a]C[6a]2)(F)5	C[6a](C[6a]C[6a]H)2(SF5)	F(SC[6a]F4)	S(C[6a]C[6a]2)(F)5	C[6a](C[6a]C[6a]H)2(SF5){1|Ir<6>,1|C<3>,1|H<1>}	F(SC[6a]F4)	110.9653	36.406	19	110.6303	1256.722	235	110.6078	1254.484	269	110.6078	1254.484	269	109.7305	1217.839	286	109.7305	1217.839	286
230	643	830	0:SPD6_SP-NON_SP2	S	C[6a]	F	3:1:1:1:1:1:	3:3:6:	6:	C[6a]-3:F-1:F-1:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:S-6:	S-6:	S(C[6a]C[6a]2)(F)5	C[6a](C[6a]C[6a]H)2(SF5)	F(SC[6a]F4)	S(C[6a]C[6a]2)(F)5	C[6a](C[6a]C[6a]H)2(SF5){1|Pd<4>,1|C<3>,1|H<1>}	F(SC[6a]F4)	110.1480	38.735	5	110.6303	1256.722	235	110.6078	1254.484	269	110.6078	1254.484	269	109.7305	1217.839	286	109.7305	1217.839	286
230	643	830	0:SPD6_SP-NON_SP2	S	C[6a]	F	3:1:1:1:1:1:	3:3:6:	6:	C[6a]-3:F-1:F-1:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:S-6:	S-6:	S(C[6a]C[6a]2)(F)5	C[6a](C[6a]C[6a]H)2(SF5)	F(SC[6a]F4)	S(C[6a]C[6a]2)(F)5	C[6a](C[6a]C[6a]H)2(SF5){1|Pd<4>,1|C<3>,1|S<6>}	F(SC[6a]F4)	109.7114	35.822	20	110.6303	1256.722	235	110.6078	1254.484	269	110.6078	1254.484	269	109.7305	1217.839	286	109.7305	1217.839	286
230	643	830	0:SPD6_SP-NON_SP2	S	C[6a]	F	3:1:1:1:1:1:	3:3:6:	6:	C[6a]-3:F-1:F-1:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:S-6:	S-6:	S(C[6a]C[6a]2)(F)5	C[6a](C[6a]C[6a]H)2(SF5)	F(SC[6a]F4)	S(C[6a]C[6a]2)(F)5	C[6a](C[6a]C[6a]H)2(SF5){1|S<6>,2|C<3>}	F(SC[6a]F4)	111.4140	37.486	18	110.6303	1256.722	235	110.6078	1254.484	269	110.6078	1254.484	269	109.7305	1217.839	286	109.7305	1217.839	286
230	643	830	0:SPD6_SP-NON_SP2	S	C[6a]	F	3:3:1:1:1:1:	3:2:6:	6:	C[5a]-3:C[6a]-3:F-1:F-1:F-1:F-1:	C[6a]-3:N[6a]-2:S-6:	S-6:	S(C[5a]C[5a]N[5a])(C[6a]C[6a]N[6a])(F)4	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC[5a]F4)	F(SC[5a]C[6a]F3)	S(C[5a]C[5a]N[5a])(C[6a]C[6a]N[6a])(F)4	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC[5a]F4){1|C<3>,2|H<1>}	F(SC[5a]C[6a]F3)	90.3679	0.715	8	90.3679	0.511	8	90.3679	0.511	8	90.2571	0.430	12	109.7305	1217.839	286	109.7305	1217.839	286
230	643	830	0:SPD6_SP-NON_SP2	S	C[6a]	F	3:3:1:1:1:1:	3:2:6:	6:	C[6a]-3:C-3:F-1:F-1:F-1:F-1:	C[6a]-3:N[6a]-2:S-6:	S-6:	S(C[6a]C[6a]N[6a])(CCH)(F)4	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SCF4)	F(SC[6a]CF3)	S(C[6a]C[6a]N[6a])(CCH)(F)4	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SCF4){1|C<3>,2|H<1>}	F(SC[6a]CF3)	90.0356	0.533	4	90.0356	0.284	4	90.0356	0.284	4	90.2571	0.430	12	109.7305	1217.839	286	109.7305	1217.839	286
230	643	930	0:SPD6_SP2_SP2	S	C[6a]	C	3:3:1:1:1:1:	3:2:6:	6:3:1:	C[6a]-3:C-3:F-1:F-1:F-1:F-1:	C[6a]-3:N[6a]-2:S-6:	S-6:C-3:H-1:	S(C[6a]C[6a]N[6a])(CCH)(F)4	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SCF4)	C(SC[6a]F4)(CC[6a]Cl)(H)	S(C[6a]C[6a]N[6a])(CCH)(F)4	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SCF4){1|C<3>,2|H<1>}	C(SC[6a]F4)(CC[6a]Cl)(H)	176.2600	0.000	1	176.2600	0.000	1	176.2600	0.000	1	176.2600	0.000	1	176.2600	0.000	1	176.2600	0.000	1
230	727	830	0:SPD6_SP-NON_SP2	S	C[5a]	F	3:1:1:1:1:1:	3:3:6:	6:	C[5a]-3:F-1:F-1:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:S-6:	S-6:	S(C[5a]C[5a]2)(F)5	C[5a](C[5a]N[5a]H)2(SF5)	F(SC[5a]F4)	S(C[5a]C[5a]2)(F)5	C[5a](C[5a]N[5a]H)2(SF5){1|H<1>}	F(SC[5a]F4)	109.7784	36.083	15	109.7784	1302.017	15	109.7784	1302.017	15	109.7784	1302.017	15	102.7709	924.972	23	102.7709	924.972	23
230	727	830	0:SPD6_SP-NON_SP2	S	C[5a]	F	3:3:1:1:1:1:	3:2:6:	6:	C[5a]-3:C[6a]-3:F-1:F-1:F-1:F-1:	C[5a]-3:N[5a]-2:S-6:	S-6:	S(C[5a]C[5a]N[5a])(C[6a]C[6a]N[6a])(F)4	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(SC[6a]F4)	F(SC[5a]C[6a]F3)	S(C[5a]C[5a]N[5a])(C[6a]C[6a]N[6a])(F)4	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(SC[6a]F4){1|C<4>,2|C<3>}	F(SC[5a]C[6a]F3)	89.7996	0.186	4	89.7996	0.035	4	89.7996	0.035	4	89.7996	0.035	4	102.7709	924.972	23	102.7709	924.972	23
230	727	830	0:SPD6_SP-NON_SP2	S	C[5a]	F	3:3:1:1:1:1:	3:3:6:	6:	C[5a]-3:C[6a]-3:F-1:F-1:F-1:F-1:	C[5a]-3:N[5a]-3:S-6:	S-6:	S(C[5a]C[5a]N[5a])(C[6a]C[6a]N[6a])(F)4	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(SC[6a]F4)	F(SC[5a]C[6a]F3)	S(C[5a]C[5a]N[5a])(C[6a]C[6a]N[6a])(F)4	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(SC[6a]F4){2|C<3>}	F(SC[5a]C[6a]F3)	89.4639	1.024	4	89.4639	1.048	4	89.4639	1.048	4	89.4639	1.048	4	102.7709	924.972	23	102.7709	924.972	23
230	830	830	0:SPD6_SP-NON_SP-NON	S	F	F	3:1:1:1:1:1:	6:	6:	C-3:F-1:F-1:F-1:F-1:F-1:	S-6:	S-6:	S(CCC)(F)5	F(SCF4)	F(SCF4)	S(CCC)(F)5	F(SCF4)	F(SCF4)	107.8458	37.888	9	107.8458	1435.476	9	107.8458	1435.476	9	106.0694	1199.775	592	106.2851	1211.553	676	106.2851	1211.553	676
230	830	830	0:SPD6_SP-NON_SP-NON	S	F	F	3:1:1:1:1:1:	6:	6:	C[5a]-3:F-1:F-1:F-1:F-1:F-1:	S-6:	S-6:	S(C[5a]C[5a]2)(F)5	F(SC[5a]F4)	F(SC[5a]F4)	S(C[5a]C[5a]2)(F)5	F(SC[5a]F4)	F(SC[5a]F4)	106.6385	35.675	29	106.6385	1272.727	29	106.6385	1272.727	29	106.0694	1199.775	592	106.2851	1211.553	676	106.2851	1211.553	676
230	830	830	0:SPD6_SP-NON_SP-NON	S	F	F	3:1:1:1:1:1:	6:	6:	C[6a]-3:F-1:F-1:F-1:F-1:F-1:	S-6:	S-6:	S(C[6a]C[6a]2)(F)5	F(SC[6a]F4)	F(SC[6a]F4)	S(C[6a]C[6a]2)(F)5	F(SC[6a]F4)	F(SC[6a]F4)	106.0032	34.595	544	106.0032	1196.780	544	106.0108	1196.939	554	106.0694	1199.775	592	106.2851	1211.553	676	106.2851	1211.553	676
230	830	830	0:SPD6_SP-NON_SP-NON	S	F	F	3:1:1:1:1:1:	6:	6:	C[6a]-3:F-1:F-1:F-1:F-1:F-1:	S-6:	S-6:	S(C[6a]C[6a]N[6a])(F)5	F(SC[6a]F4)	F(SC[6a]F4)	S(C[6a]C[6a]N[6a])(F)5	F(SC[6a]F4)	F(SC[6a]F4)	106.4255	36.597	10	106.4255	1339.328	10	106.0108	1196.939	554	106.0694	1199.775	592	106.2851	1211.553	676	106.2851	1211.553	676
230	830	830	0:SPD6_SP-NON_SP-NON	S	F	F	3:3:1:1:1:1:	6:	6:	C[5a]-3:C[6a]-3:F-1:F-1:F-1:F-1:	S-6:	S-6:	S(C[5a]C[5a]N[5a])(C[6a]C[6a]N[6a])(F)4	F(SC[5a]C[6a]F3)	F(SC[5a]C[6a]F3)	S(C[5a]C[5a]N[5a])(C[6a]C[6a]N[6a])(F)4	F(SC[5a]C[6a]F3)	F(SC[5a]C[6a]F3)	122.3869	44.984	11	122.3869	2023.557	11	122.3869	2023.557	11	121.4456	1929.037	17	106.2851	1211.553	676	106.2851	1211.553	676
230	830	830	0:SPD6_SP-NON_SP-NON	S	F	F	3:3:1:1:1:1:	6:	6:	C[6a]-3:C-3:F-1:F-1:F-1:F-1:	S-6:	S-6:	S(C[6a]C[6a]N[6a])(CCH)(F)4	F(SC[6a]CF3)	F(SC[6a]CF3)	S(C[6a]C[6a]N[6a])(CCH)(F)4	F(SC[6a]CF3)	F(SC[6a]CF3)	119.7198	46.047	6	119.7198	2120.281	6	119.7198	2120.281	6	121.4456	1929.037	17	106.2851	1211.553	676	106.2851	1211.553	676
230	830	830	0:SPD6_SP-NON_SP-NON	S	F	F	4:1:1:1:1:1:	6:	6:	C-4:F-1:F-1:F-1:F-1:F-1:	S-6:	S-6:	S(CCCH)(F)5	F(SCF4)	F(SCF4)	S(CCCH)(F)5	F(SCF4)	F(SCF4)	106.0586	36.473	10	106.0586	1330.284	10	104.1455	1106.519	57	104.3444	1116.360	67	106.2851	1211.553	676	106.2851	1211.553	676
230	830	830	0:SPD6_SP-NON_SP-NON	S	F	F	4:1:1:1:1:1:	6:	6:	C-4:F-1:F-1:F-1:F-1:F-1:	S-6:	S-6:	S(CCFF)(F)5	F(SCF4)	F(SCF4)	S(CCFF)(F)5	F(SCF4)	F(SCF4)	99.3750	29.506	9	99.3750	870.576	9	104.1455	1106.519	57	104.3444	1116.360	67	106.2851	1211.553	676	106.2851	1211.553	676
230	830	830	0:SPD6_SP-NON_SP-NON	S	F	F	4:1:1:1:1:1:	6:	6:	C-4:F-1:F-1:F-1:F-1:F-1:	S-6:	S-6:	S(CCHH)(F)5	F(SCF4)	F(SCF4)	S(CCHH)(F)5	F(SCF4)	F(SCF4)	103.1235	33.031	18	103.1235	1091.037	18	104.1455	1106.519	57	104.3444	1116.360	67	106.2851	1211.553	676	106.2851	1211.553	676
230	830	830	0:SPD6_SP-NON_SP-NON	S	F	F	4:1:1:1:1:1:	6:	6:	C-4:F-1:F-1:F-1:F-1:F-1:	S-6:	S-6:	S(CC[4]HH)(F)5	F(SCF4)	F(SCF4)	S(CC[4]HH)(F)5	F(SCF4)	F(SCF4)	106.1518	36.542	10	106.1518	1335.292	10	104.1455	1106.519	57	104.3444	1116.360	67	106.2851	1211.553	676	106.2851	1211.553	676
230	830	830	0:SPD6_SP-NON_SP-NON	S	F	F	4:1:1:1:1:1:	6:	6:	C-4:F-1:F-1:F-1:F-1:F-1:	S-6:	S-6:	S(CFFS)(F)5	F(SCF4)	F(SCF4)	S(CFFS)(F)5	F(SCF4)	F(SCF4)	106.3592	36.687	10	106.3592	1345.905	10	104.1455	1106.519	57	104.3444	1116.360	67	106.2851	1211.553	676	106.2851	1211.553	676
230	830	830	0:SPD6_SP-NON_SP-NON	S	F	F	4:1:1:1:1:1:	6:	6:	C[5]-4:F-1:F-1:F-1:F-1:F-1:	S-6:	S-6:	S(C[5]C[5]2H)(F)5	F(SC[5]F4)	F(SC[5]F4)	S(C[5]C[5]2H)(F)5	F(SC[5]F4)	F(SC[5]F4)	105.4779	36.055	10	105.4779	1299.953	10	105.4779	1299.953	10	104.3444	1116.360	67	106.2851	1211.553	676	106.2851	1211.553	676
230	830	930	0:SPD6_SP-NON_SP2	S	F	C	3:1:1:1:1:1:	6:	3:6:3:	C-3:F-1:F-1:F-1:F-1:F-1:	S-6:	C-3:S-6:C-3:	S(CCC)(F)5	F(SCF4)	C(CC[6a]H)(SF5)(COO)	S(CCC)(F)5	F(SCF4)	C(CC[6a]H)(SF5)(COO)	109.9636	38.690	5	109.9636	1496.903	5	109.9636	1496.903	5	109.9636	1496.903	5	101.0679	862.158	9	101.0679	862.158	9
230	830	930	0:SPD6_SP-NON_SP2	S	F	C	3:3:1:1:1:1:	6:	6:3:1:	C[6a]-3:C-3:F-1:F-1:F-1:F-1:	S-6:	S-6:C-3:H-1:	S(C[6a]C[6a]N[6a])(CCH)(F)4	F(SC[6a]CF3)	C(SC[6a]F4)(CC[6a]Cl)(H)	S(C[6a]C[6a]N[6a])(CCH)(F)4	F(SC[6a]CF3)	C(SC[6a]F4)(CC[6a]Cl)(H)	89.9483	2.543	4	89.9483	6.466	4	89.9483	6.466	4	89.9483	6.466	4	101.0679	862.158	9	101.0679	862.158	9
234	26	899	0:SP3_SP-NON_SP1	N[3]	C[3]	C	2:2:2:1:	4:2:	4:	C[3]-2:O[3]-2:C-2:C-1:	N[3]-4:O[3]-2:	N[3]-4:	N[3](C[3]O[3])(O[3]C[3])(CO)(C)	C[3](N[3]O[3]CC)(O[3]N[3])	C(N[3]C[3]O[3]C)	N[3](C[3]O[3])(O[3]C[3])(CO)(C)	C[3](N[3]O[3]CC)(O[3]N[3])	C(N[3]C[3]O[3]C)	111.0190	0.000	1	111.0190	0.000	1	111.0190	0.000	1	111.0190	0.000	1	111.0190	0.000	1	111.0190	0.000	1
234	26	962	3:SP3_SP1_SP3	N[3]	C[3]	O[3]	2:2:2:1:	4:2:	4:2:	C[3]-2:O[3]-2:C-2:C-1:	N[3]-4:O[3]-2:	N[3]-4:C[3]-2:	N[3](C[3]O[3])(O[3]C[3])(CO)(C)	C[3](N[3]O[3]CC)(O[3]N[3])	O[3](N[3]C[3]CC)(C[3]N[3])	N[3](C[3]O[3])(O[3]C[3])(CO)(C)	C[3](N[3]O[3]CC)(O[3]N[3])	O[3](N[3]C[3]CC)(C[3]N[3])	61.1169	0.000	1	61.1169	0.000	1	61.1169	0.000	1	61.1169	0.000	1	61.1169	0.000	1	61.1169	0.000	1
234	26	983	0:SP3_SP1_SP1	N[3]	C[3]	C	2:2:2:1:	4:2:	4:1:	C[3]-2:O[3]-2:C-2:C-1:	N[3]-4:O[3]-2:	N[3]-4:O-1:	N[3](C[3]O[3])(O[3]C[3])(CO)(C)	C[3](N[3]O[3]CC)(O[3]N[3])	C(N[3]C[3]O[3]C)(O)	N[3](C[3]O[3])(O[3]C[3])(CO)(C)	C[3](N[3]O[3]CC)(O[3]N[3])	C(N[3]C[3]O[3]C)(O)	139.7430	0.000	1	139.7430	0.000	1	139.7430	0.000	1	139.7430	0.000	1	139.7430	0.000	1	139.7430	0.000	1
234	198	198	3:SP3_SPD5_SPD5	N[3,4]	Ga[3,3,4]	Ga[3,3,4]	5:5:4:4:	4:4:4:3:1:	4:4:4:3:1:	Ga[3,3,4]-5:Ga[3,3,4]-5:B[3,3]-4:C-4:	N[3,4]-4:N[3,4]-4:B[3,3]-4:N[3]-3:Cl-1:	N[3,4]-4:N[3,4]-4:B[3,3]-4:N[3]-3:Cl-1:	N[3,4](Ga[3,3,4]B[3,3]N[3,4]N[3]Cl)2(B[3,3]Ga[3,3,4]C[6a]N[3])(CC3)	Ga[3,3,4](N[3,4]Ga[3,3,4]B[3,3]C)2(B[3,3]N[3,4]C[6a]N[3])(N[3]B[3,3]C)(Cl)	Ga[3,3,4](N[3,4]Ga[3,3,4]B[3,3]C)2(B[3,3]N[3,4]C[6a]N[3])(N[3]B[3,3]C)(Cl)	N[3,4](Ga[3,3,4]B[3,3]N[3,4]N[3]Cl)2(B[3,3]Ga[3,3,4]C[6a]N[3])(CC3){3|C<3>,3|C<4>}	Ga[3,3,4](N[3,4]Ga[3,3,4]B[3,3]C)2(B[3,3]N[3,4]C[6a]N[3])(N[3]B[3,3]C)(Cl){1|Cl<1>,1|N<3>,3|C<3>}	Ga[3,3,4](N[3,4]Ga[3,3,4]B[3,3]C)2(B[3,3]N[3,4]C[6a]N[3])(N[3]B[3,3]C)(Cl){1|Cl<1>,1|N<3>,3|C<3>}	90.0821	0.000	1	90.0821	0.000	1	90.0821	0.000	1	90.0821	0.000	1	90.0821	0.000	1	90.0821	0.000	1
234	198	490	0:SP3_SP3_SPD5	N[3,4]	Ga[3,3,4]	C	5:4:4:4:	4:4:4:3:1:	4:4:4:4:	Ga[3,3,4]-5:B[3,3]-4:Ga[4]-4:C-4:	B[3,3]-4:N[3,4]-4:N[4]-4:N[3]-3:Cl-1:	N[3,4]-4:C-4:C-4:C-4:	N[3,4](Ga[3,3,4]B[3,3]N[3]N[4]Cl)(B[3,3]Ga[3,3,4]C[6a]N[3])(Ga[4]N[4]Cl2)(CC3)	Ga[3,3,4](B[3,3]N[3,4]C[6a]N[3])(N[3,4]B[3,3]Ga[4]C)(N[4]Ga[4]CH)(N[3]B[3,3]C)(Cl)	C(N[3,4]Ga[3,3,4]B[3,3]Ga[4])(CH3)3	N[3,4](Ga[3,3,4]B[3,3]N[3]N[4]Cl)(B[3,3]Ga[3,3,4]C[6a]N[3])(Ga[4]N[4]Cl2)(CC3){1|H<1>,2|C<3>,2|C<4>}	Ga[3,3,4](B[3,3]N[3,4]C[6a]N[3])(N[3,4]B[3,3]Ga[4]C)(N[4]Ga[4]CH)(N[3]B[3,3]C)(Cl){2|Cl<1>,2|C<3>}	C(N[3,4]Ga[3,3,4]B[3,3]Ga[4])(CH3)3	125.2340	0.000	1	125.2340	0.000	1	125.2340	0.000	1	125.2340	0.000	1	122.8337	7.990	3	122.8337	7.990	3
234	198	490	0:SP3_SP3_SPD5	N[3,4]	Ga[3,3,4]	C	5:5:4:4:	4:4:4:3:1:	4:4:4:4:	Ga[3,3,4]-5:Ga[3,3,4]-5:B[3,3]-4:C-4:	N[3,4]-4:N[3,4]-4:B[3,3]-4:N[3]-3:Cl-1:	N[3,4]-4:C-4:C-4:C-4:	N[3,4](Ga[3,3,4]B[3,3]N[3,4]N[3]Cl)2(B[3,3]Ga[3,3,4]C[6a]N[3])(CC3)	Ga[3,3,4](N[3,4]Ga[3,3,4]B[3,3]C)2(B[3,3]N[3,4]C[6a]N[3])(N[3]B[3,3]C)(Cl)	C(N[3,4]Ga[3,3,4]2B[3,3])(CH3)3	N[3,4](Ga[3,3,4]B[3,3]N[3,4]N[3]Cl)2(B[3,3]Ga[3,3,4]C[6a]N[3])(CC3){3|C<3>,3|C<4>}	Ga[3,3,4](N[3,4]Ga[3,3,4]B[3,3]C)2(B[3,3]N[3,4]C[6a]N[3])(N[3]B[3,3]C)(Cl){1|Cl<1>,1|N<3>,3|C<3>}	C(N[3,4]Ga[3,3,4]2B[3,3])(CH3)3	121.6335	2.709	2	121.6335	7.338	2	121.6335	7.338	2	121.6335	7.338	2	122.8337	7.990	3	122.8337	7.990	3
234	198	654	3:SP3_SP3_SPD5	N[3,4]	Ga[3,3,4]	B[3,3]	5:4:4:4:	4:4:4:3:1:	5:4:3:3:	Ga[3,3,4]-5:B[3,3]-4:Ga[4]-4:C-4:	B[3,3]-4:N[3,4]-4:N[4]-4:N[3]-3:Cl-1:	Ga[3,3,4]-5:N[3,4]-4:N[3]-3:C[6a]-3:	N[3,4](Ga[3,3,4]B[3,3]N[3]N[4]Cl)(B[3,3]Ga[3,3,4]C[6a]N[3])(Ga[4]N[4]Cl2)(CC3)	Ga[3,3,4](B[3,3]N[3,4]C[6a]N[3])(N[3,4]B[3,3]Ga[4]C)(N[4]Ga[4]CH)(N[3]B[3,3]C)(Cl)	B[3,3](Ga[3,3,4]N[3,4]N[3]N[4]Cl)(N[3,4]Ga[3,3,4]Ga[4]C)(N[3]Ga[3,3,4]C)(C[6a]C[6a]2)	N[3,4](Ga[3,3,4]B[3,3]N[3]N[4]Cl)(B[3,3]Ga[3,3,4]C[6a]N[3])(Ga[4]N[4]Cl2)(CC3){1|H<1>,2|C<3>,2|C<4>}	Ga[3,3,4](B[3,3]N[3,4]C[6a]N[3])(N[3,4]B[3,3]Ga[4]C)(N[4]Ga[4]CH)(N[3]B[3,3]C)(Cl){2|Cl<1>,2|C<3>}	B[3,3](Ga[3,3,4]N[3,4]N[3]N[4]Cl)(N[3,4]Ga[3,3,4]Ga[4]C)(N[3]Ga[3,3,4]C)(C[6a]C[6a]2){2|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	83.9768	0.000	1	83.9768	0.000	1	83.9768	0.000	1	83.9768	0.000	1	94.7613	347.613	3	94.7613	347.613	3
234	198	654	3:SP3_SP3_SPD5	N[3,4]	Ga[3,3,4]	B[3,3]	5:5:4:4:	4:4:4:3:1:	5:4:3:3:	Ga[3,3,4]-5:Ga[3,3,4]-5:B[3,3]-4:C-4:	N[3,4]-4:N[3,4]-4:B[3,3]-4:N[3]-3:Cl-1:	Ga[3,3,4]-5:N[3,4]-4:N[3]-3:C[6a]-3:	N[3,4](Ga[3,3,4]B[3,3]N[3,4]N[3]Cl)2(B[3,3]Ga[3,3,4]C[6a]N[3])(CC3)	Ga[3,3,4](N[3,4]Ga[3,3,4]B[3,3]C)2(B[3,3]N[3,4]C[6a]N[3])(N[3]B[3,3]C)(Cl)	B[3,3](Ga[3,3,4]N[3,4]2N[3]Cl)(N[3,4]Ga[3,3,4]2C)(N[3]Ga[3,3,4]C)(C[6a]C[6a]2)	N[3,4](Ga[3,3,4]B[3,3]N[3,4]N[3]Cl)2(B[3,3]Ga[3,3,4]C[6a]N[3])(CC3){3|C<3>,3|C<4>}	Ga[3,3,4](N[3,4]Ga[3,3,4]B[3,3]C)2(B[3,3]N[3,4]C[6a]N[3])(N[3]B[3,3]C)(Cl){1|Cl<1>,1|N<3>,3|C<3>}	B[3,3](Ga[3,3,4]N[3,4]2N[3]Cl)(N[3,4]Ga[3,3,4]2C)(N[3]Ga[3,3,4]C)(C[6a]C[6a]2){1|Cl<1>,1|B<4>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	100.1536	22.820	2	100.1536	520.767	2	100.1536	520.767	2	100.1536	520.767	2	94.7613	347.613	3	94.7613	347.613	3
234	198	878	4:SP3_SP-NON_SPD5	N[3,4]	Ga[3,3,4]	Ga[4]	5:4:4:4:	4:4:4:3:1:	4:4:1:1:	Ga[3,3,4]-5:B[3,3]-4:Ga[4]-4:C-4:	B[3,3]-4:N[3,4]-4:N[4]-4:N[3]-3:Cl-1:	N[3,4]-4:N[4]-4:Cl-1:Cl-1:	N[3,4](Ga[3,3,4]B[3,3]N[3]N[4]Cl)(B[3,3]Ga[3,3,4]C[6a]N[3])(Ga[4]N[4]Cl2)(CC3)	Ga[3,3,4](B[3,3]N[3,4]C[6a]N[3])(N[3,4]B[3,3]Ga[4]C)(N[4]Ga[4]CH)(N[3]B[3,3]C)(Cl)	Ga[4](N[3,4]Ga[3,3,4]B[3,3]C)(N[4]Ga[3,3,4]CH)(Cl)2	N[3,4](Ga[3,3,4]B[3,3]N[3]N[4]Cl)(B[3,3]Ga[3,3,4]C[6a]N[3])(Ga[4]N[4]Cl2)(CC3){1|H<1>,2|C<3>,2|C<4>}	Ga[3,3,4](B[3,3]N[3,4]C[6a]N[3])(N[3,4]B[3,3]Ga[4]C)(N[4]Ga[4]CH)(N[3]B[3,3]C)(Cl){2|Cl<1>,2|C<3>}	Ga[4](N[3,4]Ga[3,3,4]B[3,3]C)(N[4]Ga[3,3,4]CH)(Cl)2{1|Cl<1>,1|C<3>,1|N<3>}	89.0540	0.000	1	89.0540	0.000	1	89.0540	0.000	1	89.0540	0.000	1	89.0540	0.000	1	89.0540	0.000	1
234	234	863	0:SP3_SP2_SP3	N[3,3]	N[3,3]	O	4:3:2:1:	4:3:2:1:	4:	N[3,3]-4:O[3]-3:O[3]-2:O-1:	N[3,3]-4:O[3]-3:O[3]-2:O-1:	N[3,3]-4:	N[3,3](N[3,3]O[3]2O)(O[3]N[3,3]Mn)(O[3]N[3,3])(O)	N[3,3](N[3,3]O[3]2O)(O[3]N[3,3]Mn)(O[3]N[3,3])(O)	O(N[3,3]N[3,3]O[3]2)	N[3,3](N[3,3]O[3]2O)(O[3]N[3,3]Mn)(O[3]N[3,3])(O)	N[3,3](N[3,3]O[3]2O)(O[3]N[3,3]Mn)(O[3]N[3,3])(O)	O(N[3,3]N[3,3]O[3]2)	165.9920	0.000	1	165.9920	0.000	1	165.9920	0.000	1	165.9920	0.000	1	165.9920	0.000	1	165.9920	0.000	1
234	234	864	3:SP3_SP3_SP3	N[3,3]	N[3,3]	S[3x3]	4:4:3:1:	4:4:3:1:	4:4:3:3:	N[3,3]-4:S[3x3]-4:C[3]-3:H-1:	N[3,3]-4:S[3x3]-4:C[3]-3:H-1:	N[3,3]-4:N[3,3]-4:C[3]-3:C[3]-3:	N[3,3](N[3,3]S[3x3]C[3]H)(S[3x3]N[3,3]C[3]2)(C[3]S[3x3]H)(H)	N[3,3](N[3,3]S[3x3]C[3]H)(S[3x3]N[3,3]C[3]2)(C[3]S[3x3]H)(H)	S[3x3](N[3,3]N[3,3]C[3]H)2(C[3]N[3,3]H)2	N[3,3](N[3,3]S[3x3]C[3]H)(S[3x3]N[3,3]C[3]2)(C[3]S[3x3]H)(H){1|H<1>}	N[3,3](N[3,3]S[3x3]C[3]H)(S[3x3]N[3,3]C[3]2)(C[3]S[3x3]H)(H){1|H<1>}	S[3x3](N[3,3]N[3,3]C[3]H)2(C[3]N[3,3]H)2	65.1160	0.000	1	65.1160	0.000	1	65.1160	0.000	1	65.1160	0.000	1	65.1160	0.000	1	65.1160	0.000	1
234	234	902	3:SP3_SP2_SP3	N[3,3]	N[3,3]	C[3]	4:4:3:1:	4:4:3:1:	4:4:1:	N[3,3]-4:S[3x3]-4:C[3]-3:H-1:	N[3,3]-4:S[3x3]-4:C[3]-3:H-1:	N[3,3]-4:S[3x3]-4:H-1:	N[3,3](N[3,3]S[3x3]C[3]H)(S[3x3]N[3,3]C[3]2)(C[3]S[3x3]H)(H)	N[3,3](N[3,3]S[3x3]C[3]H)(S[3x3]N[3,3]C[3]2)(C[3]S[3x3]H)(H)	C[3](N[3,3]N[3,3]S[3x3]H)(S[3x3]N[3,3]2C[3])(H)	N[3,3](N[3,3]S[3x3]C[3]H)(S[3x3]N[3,3]C[3]2)(C[3]S[3x3]H)(H){1|H<1>}	N[3,3](N[3,3]S[3x3]C[3]H)(S[3x3]N[3,3]C[3]2)(C[3]S[3x3]H)(H){1|H<1>}	C[3](N[3,3]N[3,3]S[3x3]H)(S[3x3]N[3,3]2C[3])(H){2|H<1>}	109.2220	0.000	1	109.2220	0.000	1	109.2220	0.000	1	109.2220	0.000	1	109.2220	0.000	1	109.2220	0.000	1
234	234	951	0:SP3_SP-NON_SP3	N[3,3]	N[3,3]	H	4:4:3:1:	4:4:3:1:	4:	N[3,3]-4:S[3x3]-4:C[3]-3:H-1:	N[3,3]-4:S[3x3]-4:C[3]-3:H-1:	N[3,3]-4:	N[3,3](N[3,3]S[3x3]C[3]H)(S[3x3]N[3,3]C[3]2)(C[3]S[3x3]H)(H)	N[3,3](N[3,3]S[3x3]C[3]H)(S[3x3]N[3,3]C[3]2)(C[3]S[3x3]H)(H)	H(N[3,3]N[3,3]S[3x3]C[3])	N[3,3](N[3,3]S[3x3]C[3]H)(S[3x3]N[3,3]C[3]2)(C[3]S[3x3]H)(H){1|H<1>}	N[3,3](N[3,3]S[3x3]C[3]H)(S[3x3]N[3,3]C[3]2)(C[3]S[3x3]H)(H){1|H<1>}	H(N[3,3]N[3,3]S[3x3]C[3])	120.2810	0.000	1	120.2810	0.000	1	120.2810	0.000	1	120.2810	0.000	1	120.2810	0.000	1	120.2810	0.000	1
234	234	962	3:SP3_SP3_SP3	N[3,3]	N[3,3]	O[3]	4:3:2:1:	4:3:2:1:	4:4:	N[3,3]-4:O[3]-3:O[3]-2:O-1:	N[3,3]-4:O[3]-3:O[3]-2:O-1:	N[3,3]-4:N[3,3]-4:	N[3,3](N[3,3]O[3]2O)(O[3]N[3,3]Mn)(O[3]N[3,3])(O)	N[3,3](N[3,3]O[3]2O)(O[3]N[3,3]Mn)(O[3]N[3,3])(O)	O[3](N[3,3]N[3,3]O[3]O)2	N[3,3](N[3,3]O[3]2O)(O[3]N[3,3]Mn)(O[3]N[3,3])(O)	N[3,3](N[3,3]O[3]2O)(O[3]N[3,3]Mn)(O[3]N[3,3])(O)	O[3](N[3,3]N[3,3]O[3]O)2{1|Mn<6>}	67.6913	0.000	1	67.6913	0.000	1	67.6913	0.000	1	67.6913	0.000	1	67.6913	0.000	1	67.6913	0.000	1
234	362	362	3:SP3_SPD6_SPD6	N[3]	C[3x3]	C[3x3]	6:6:4:3:	6:4:2:2:1:1:	6:4:2:2:1:1:	C[3x3]-6:C[3x3]-6:C-4:C-3:	C[3x3]-6:N[3]-4:H[3]-2:H[3]-2:H-1:H-1:	C[3x3]-6:N[3]-4:H[3]-2:H[3]-2:H-1:H-1:	N[3](C[3x3]C[3x3]H[3]2HH)2(CH3)(CHO)	C[3x3](C[3x3]H[3]2N[3]HH)(N[3]C[3x3]CC)(H[3]C[3x3])2(H)2	C[3x3](C[3x3]H[3]2N[3]HH)(N[3]C[3x3]CC)(H[3]C[3x3])2(H)2	N[3](C[3x3]C[3x3]H[3]2HH)2(CH3)(CHO)	C[3x3](C[3x3]H[3]2N[3]HH)(N[3]C[3x3]CC)(H[3]C[3x3])2(H)2	C[3x3](C[3x3]H[3]2N[3]HH)(N[3]C[3x3]CC)(H[3]C[3x3])2(H)2	41.1942	0.000	1	41.1942	0.000	1	41.1942	0.000	1	41.1942	0.000	1	41.1942	0.000	1	41.1942	0.000	1
234	362	490	0:SP3_SP3_SPD6	N[3]	C[3x3]	C	6:6:4:3:	6:4:2:2:1:1:	4:1:1:1:	C[3x3]-6:C[3x3]-6:C-4:C-3:	C[3x3]-6:N[3]-4:H[3]-2:H[3]-2:H-1:H-1:	N[3]-4:H-1:H-1:H-1:	N[3](C[3x3]C[3x3]H[3]2HH)2(CH3)(CHO)	C[3x3](C[3x3]H[3]2N[3]HH)(N[3]C[3x3]CC)(H[3]C[3x3])2(H)2	C(N[3]C[3x3]2C)(H)3	N[3](C[3x3]C[3x3]H[3]2HH)2(CH3)(CHO)	C[3x3](C[3x3]H[3]2N[3]HH)(N[3]C[3x3]CC)(H[3]C[3x3])2(H)2	C(N[3]C[3x3]2C)(H)3	112.0585	8.094	2	112.0585	65.517	2	112.0585	65.517	2	112.0585	65.517	2	112.0585	65.517	2	112.0585	65.517	2
234	362	930	0:SP3_SP2_SPD6	N[3]	C[3x3]	C	6:6:4:3:	6:4:2:2:1:1:	4:1:1:	C[3x3]-6:C[3x3]-6:C-4:C-3:	C[3x3]-6:N[3]-4:H[3]-2:H[3]-2:H-1:H-1:	N[3]-4:H-1:O-1:	N[3](C[3x3]C[3x3]H[3]2HH)2(CH3)(CHO)	C[3x3](C[3x3]H[3]2N[3]HH)(N[3]C[3x3]CC)(H[3]C[3x3])2(H)2	C(N[3]C[3x3]2C)(H)(O)	N[3](C[3x3]C[3x3]H[3]2HH)2(CH3)(CHO)	C[3x3](C[3x3]H[3]2N[3]HH)(N[3]C[3x3]CC)(H[3]C[3x3])2(H)2	C(N[3]C[3x3]2C)(H)(O)	119.7520	4.144	2	119.7520	17.170	2	119.7520	17.170	2	119.7520	17.170	2	119.7520	17.170	2	119.7520	17.170	2
234	466	466	6:SP3_SP3_SP3	N[3,6,6]	C[3x6]	C[3x6]	4:4:2:2:	4:4:4:4:	4:4:4:4:	C[3x6]-4:C[3x6]-4:O[3]-2:O[3]-2:	N[3,6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	N[3,6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	N[3,6,6](C[3x6]C[6,6]2C)2(O[3]O[3])2	C[3x6](N[3,6,6]C[3x6]O[3]2)(C[6,6]C[3x6]HH)2(CH3)	C[3x6](N[3,6,6]C[3x6]O[3]2)(C[6,6]C[3x6]HH)2(CH3)	N[3,6,6](C[3x6]C[6,6]2C)2(O[3]O[3])2{2|C<4>,8|H<1>}	C[3x6](N[3,6,6]C[3x6]O[3]2)(C[6,6]C[3x6]HH)2(CH3){1|N<4>,5|C<4>}	C[3x6](N[3,6,6]C[3x6]O[3]2)(C[6,6]C[3x6]HH)2(CH3){1|N<4>,5|C<4>}	115.7220	0.000	1	115.7220	0.000	1	115.7220	0.000	1	115.7220	0.000	1	115.7220	0.000	1	117.5577	2.569	3
234	466	466	6:SP3_SP3_SP3	N[3,6]	C[6]	C[6]	4:4:4:3:	4:4:4:4:	4:4:4:4:	C[3]-4:C[6]-4:C[6]-4:C[3]-3:	N[3,6]-4:C[6]-4:C-4:C-4:	N[3,6]-4:C[6]-4:C-4:C-4:	N[3,6](C[3]C[3]HH)(C[6]C[6]CC)2(C[3]C[3]C)	C[6](N[3,6]C[3]2C[6])(C[6]C[6]HH)(CH3)2	C[6](N[3,6]C[3]2C[6])(C[6]C[6]HH)(CH3)2	N[3,6](C[3]C[3]HH)(C[6]C[6]CC)2(C[3]C[3]C){1|C<4>,4|H<1>}	C[6](N[3,6]C[3]2C[6])(C[6]C[6]HH)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	C[6](N[3,6]C[3]2C[6])(C[6]C[6]HH)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	118.4755	0.291	2	118.4755	0.084	2	118.4755	0.084	2	118.4755	0.084	2	118.4755	0.084	2	117.5577	2.569	3
234	466	486	0:SP3_SP3_SP3	N[3,6]	C[6]	C[3]	4:4:4:3:	4:4:4:4:	4:3:1:1:	C[3]-4:C[6]-4:C[6]-4:C[3]-3:	N[3,6]-4:C[6]-4:C-4:C-4:	N[3,6]-4:C[3]-3:H-1:H-1:	N[3,6](C[3]C[3]HH)(C[6]C[6]CC)2(C[3]C[3]C)	C[6](N[3,6]C[3]2C[6])(C[6]C[6]HH)(CH3)2	C[3](N[3,6]C[3]C[6]2)(C[3]N[3,6]C)(H)2	N[3,6](C[3]C[3]HH)(C[6]C[6]CC)2(C[3]C[3]C){1|C<4>,4|H<1>}	C[6](N[3,6]C[3]2C[6])(C[6]C[6]HH)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	C[3](N[3,6]C[3]C[6]2)(C[3]N[3,6]C)(H)2{6|C<4>}	115.3852	1.060	4	115.3852	1.123	4	115.3852	1.123	4	115.3852	1.123	4	115.3852	1.123	4	115.3852	1.123	4
234	466	486	6:SP3_SP3_SP3	N[3,6]	C[6]	C[3,6]	4:4:2:4:	4:4:4:1:	3:4:2:1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[6]-4:N[3,6]-4:C-4:H-1:	C[6,6a]-3:N[3,6]-4:O[3]-2:H-1:	N[3,6](C[3,6]C[6,6a]O[3]H)(C[6]C[6]CH)(O[3]C[3,6])(CH3)	C[6](C[6]C[6,6a]C[6a]H)(N[3,6]C[3,6]O[3]C)(CH3)(H)	C[3,6](C[6,6a]C[6,6a]C[6a])(N[3,6]C[6]O[3]C)(O[3]N[3,6])(H)	N[3,6](C[3,6]C[6,6a]O[3]H)(C[6]C[6]CH)(O[3]C[3,6])(CH3){1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(N[3,6]C[3,6]O[3]C)(CH3)(H){1|H<1>,4|C<3>}	C[3,6](C[6,6a]C[6,6a]C[6a])(N[3,6]C[6]O[3]C)(O[3]N[3,6])(H){2|C<3>,2|C<4>,2|H<1>}	120.0640	0.000	1	120.0640	0.000	1	120.0640	0.000	1	120.0640	0.000	1	120.0640	0.000	1	120.0640	0.000	1
234	466	490	0:SP3_SP3_SP3	N[3,6]	C[6]	C	4:4:2:4:	4:4:4:1:	4:1:1:1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[6]-4:N[3,6]-4:C-4:H-1:	N[3,6]-4:H-1:H-1:H-1:	N[3,6](C[3,6]C[6,6a]O[3]H)(C[6]C[6]CH)(O[3]C[3,6])(CH3)	C[6](C[6]C[6,6a]C[6a]H)(N[3,6]C[3,6]O[3]C)(CH3)(H)	C(N[3,6]C[3,6]C[6]O[3])(H)3	N[3,6](C[3,6]C[6,6a]O[3]H)(C[6]C[6]CH)(O[3]C[3,6])(CH3){1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(N[3,6]C[3,6]O[3]C)(CH3)(H){1|H<1>,4|C<3>}	C(N[3,6]C[3,6]C[6]O[3])(H)3	117.5670	0.000	1	117.5670	0.000	1	117.5670	0.000	1	117.5670	0.000	1	117.5670	0.000	1	117.5670	0.000	1
234	466	902	0:SP3_SP2_SP3	N[3,6]	C[6]	C[3]	4:4:4:3:	4:4:4:4:	4:4:3:	C[3]-4:C[6]-4:C[6]-4:C[3]-3:	N[3,6]-4:C[6]-4:C-4:C-4:	N[3,6]-4:C[3]-4:C-3:	N[3,6](C[3]C[3]HH)(C[6]C[6]CC)2(C[3]C[3]C)	C[6](N[3,6]C[3]2C[6])(C[6]C[6]HH)(CH3)2	C[3](N[3,6]C[3]C[6]2)(C[3]N[3,6]HH)(CBH)	N[3,6](C[3]C[3]HH)(C[6]C[6]CC)2(C[3]C[3]C){1|C<4>,4|H<1>}	C[6](N[3,6]C[3]2C[6])(C[6]C[6]HH)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	C[3](N[3,6]C[3]C[6]2)(C[3]N[3,6]HH)(CBH){6|C<4>}	117.9303	0.515	4	117.9303	0.265	4	117.9303	0.265	4	117.9303	0.265	4	117.9303	0.265	4	117.9303	0.265	4
234	466	962	0:SP3_SP3_SP3	N[3,6,6]	C[3x6]	O[3]	4:4:2:2:	4:4:4:4:	4:2:	C[3x6]-4:C[3x6]-4:O[3]-2:O[3]-2:	N[3,6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	N[3,6,6]-4:O[3]-2:	N[3,6,6](C[3x6]C[6,6]2C)2(O[3]O[3])2	C[3x6](N[3,6,6]C[3x6]O[3]2)(C[6,6]C[3x6]HH)2(CH3)	O[3](N[3,6,6]C[3x6]2O[3])(O[3]N[3,6,6])	N[3,6,6](C[3x6]C[6,6]2C)2(O[3]O[3])2{2|C<4>,8|H<1>}	C[3x6](N[3,6,6]C[3x6]O[3]2)(C[6,6]C[3x6]HH)2(CH3){1|N<4>,5|C<4>}	O[3](N[3,6,6]C[3x6]2O[3])(O[3]N[3,6,6]){6|C<4>}	119.6825	1.807	4	119.6825	3.265	4	119.6825	3.265	4	119.6825	3.265	4	119.6825	3.265	4	118.3956	10.729	5
234	466	962	0:SP3_SP3_SP3	N[3,6]	C[6]	O[3]	4:4:2:4:	4:4:4:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[6]-4:N[3,6]-4:C-4:H-1:	C[3,6]-4:N[3,6]-4:	N[3,6](C[3,6]C[6,6a]O[3]H)(C[6]C[6]CH)(O[3]C[3,6])(CH3)	C[6](C[6]C[6,6a]C[6a]H)(N[3,6]C[3,6]O[3]C)(CH3)(H)	O[3](C[3,6]C[6,6a]N[3,6]H)(N[3,6]C[3,6]C[6]C)	N[3,6](C[3,6]C[6,6a]O[3]H)(C[6]C[6]CH)(O[3]C[3,6])(CH3){1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(N[3,6]C[3,6]O[3]C)(CH3)(H){1|H<1>,4|C<3>}	O[3](C[3,6]C[6,6a]N[3,6]H)(N[3,6]C[3,6]C[6]C){1|H<1>,2|C<3>,2|C<4>}	113.2480	0.000	1	113.2480	0.000	1	113.2480	0.000	1	113.2480	0.000	1	113.2480	0.000	1	118.3956	10.729	5
234	474	486	0:SP3_SP3_SP3	N[3,5]	C[5]	C[3]	4:4:4:1:	4:4:4:4:	4:4:3:1:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	N[3,5]-4:C[5]-4:C-4:C-4:	C[3,5]-4:N[3,5]-4:C[5]-3:H-1:	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]C[5]H)(C[5]C[5]CC)(H)	C[5](N[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(CH3)2	C[3](C[3,5]N[3,5]C[5]H)(N[3,5]C[3,5]C[5]H)(C[5]N[5]2)(H)	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]C[5]H)(C[5]C[5]CC)(H){2|C<4>,2|H<1>,2|N<3>}	C[5](N[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(CH3)2{1|C<3>,2|C<4>,2|H<1>}	C[3](C[3,5]N[3,5]C[5]H)(N[3,5]C[3,5]C[5]H)(C[5]N[5]2)(H){2|C<3>,7|C<4>}	117.0275	0.158	2	117.0275	0.025	2	117.0275	0.025	2	117.0275	0.025	2	115.1255	5.856	4	115.1255	5.856	4
234	474	486	0:SP3_SP3_SP3	N[3,5]	C[5]	C[3]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[3,5]-4:C[3]-4:C[5]-4:C-4:	N[3,5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:N[3,5]-4:H-1:H-1:	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]HH)(CC[6a]CH)	C[5](N[3,5]C[3,5]C[3]C)(C[5]C[5]HO)(H)2	C[3](C[3,5]N[3,5]C[5]H)(N[3,5]C[3,5]C[5]C)(H)2	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]HH)(CC[6a]CH){1|O<2>,3|H<1>}	C[5](N[3,5]C[3,5]C[3]C)(C[5]C[5]HO)(H)2{5|H<1>}	C[3](C[3,5]N[3,5]C[5]H)(N[3,5]C[3,5]C[5]C)(H)2{1|C<4>,4|H<1>}	114.4630	0.000	1	114.4630	0.000	1	114.4630	0.000	1	114.4630	0.000	1	115.1255	5.856	4	115.1255	5.856	4
234	474	486	0:SP3_SP3_SP3	N[3,5]	C[5]	C[3]	4:4:4:4:	4:4:4:4:	4:4:3:1:	C[3,5]-4:C[3]-4:C[5]-4:C-4:	N[3,5]-4:C[5]-4:C-4:C-4:	C[3,5]-4:N[3,5]-4:C[5]-3:H-1:	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]C[5]H)(C[5]C[5]CC)(CCCH)	C[5](N[3,5]C[3,5]C[3]C)(C[5]C[5]HH)(CH3)2	C[3](C[3,5]N[3,5]C[5]H)(N[3,5]C[3,5]C[5]C)(C[5]N[5]2)(H)	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]C[5]H)(C[5]C[5]CC)(CCCH){2|C<4>,2|H<1>,2|N<3>}	C[5](N[3,5]C[3,5]C[3]C)(C[5]C[5]HH)(CH3)2{1|C<3>,2|C<4>,2|H<1>}	C[3](C[3,5]N[3,5]C[5]H)(N[3,5]C[3,5]C[5]C)(C[5]N[5]2)(H){2|C<3>,7|C<4>}	111.9840	0.000	1	111.9840	0.000	1	111.9840	0.000	1	111.9840	0.000	1	115.1255	5.856	4	115.1255	5.856	4
234	474	486	5:SP3_SP3_SP3	N[3,5,6]	C[5,6]	C[3,5,6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[3,5,6]-4:C[3,6,6]-4:C[5,6]-4:H-1:	N[3,5,6]-4:C[5,3x6]-4:H-1:H-1:	C[3,6,6]-4:N[3,5,6]-4:C[5,6]-4:C-4:	N[3,5,6](C[3,5,6]C[3,6,6]C[5,6]C)(C[3,6,6]C[3,5,6]C[6,6]H)(C[5,6]C[5,3x6]HH)(H)	C[5,6](N[3,5,6]C[3,5,6]C[3,6,6]H)(C[5,3x6]C[3x6]C[5,6]C[6])(H)2	C[3,5,6](C[3,6,6]N[3,5,6]C[6,6]H)(N[3,5,6]C[3,6,6]C[5,6]H)(C[5,6]C[5,3x6]HH)(CH3)	N[3,5,6](C[3,5,6]C[3,6,6]C[5,6]C)(C[3,6,6]C[3,5,6]C[6,6]H)(C[5,6]C[5,3x6]HH)(H){2|C<4>,4|H<1>}	C[5,6](N[3,5,6]C[3,5,6]C[3,6,6]H)(C[5,3x6]C[3x6]C[5,6]C[6])(H)2{4|C<4>,6|H<1>}	C[3,5,6](C[3,6,6]N[3,5,6]C[6,6]H)(N[3,5,6]C[3,6,6]C[5,6]H)(C[5,6]C[5,3x6]HH)(CH3){2|C<4>,4|H<1>}	109.1250	0.000	1	109.1250	0.000	1	109.1250	0.000	1	109.1250	0.000	1	109.1250	0.000	1	109.5190	1.090	5
234	474	486	5:SP3_SP3_SP3	N[3,5]	C[5]	C[3,5]	4:4:4:1:	4:4:4:4:	4:4:4:1:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	N[3,5]-4:C[5]-4:C-4:C-4:	C[3]-4:N[3,5]-4:C[5]-4:H-1:	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]C[5]H)(C[5]C[5]CC)(H)	C[5](N[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(CH3)2	C[3,5](C[3]N[3,5]C[5]H)(N[3,5]C[3]C[5]H)(C[5]C[5]CC)(H)	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]C[5]H)(C[5]C[5]CC)(H){2|C<4>,2|H<1>,2|N<3>}	C[5](N[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(CH3)2{1|C<3>,2|C<4>,2|H<1>}	C[3,5](C[3]N[3,5]C[5]H)(N[3,5]C[3]C[5]H)(C[5]C[5]CC)(H){2|C<4>,2|H<1>,2|N<3>}	110.5545	0.204	2	110.5545	0.042	2	110.5545	0.042	2	110.5545	0.042	2	109.6175	1.388	4	109.5190	1.090	5
234	474	486	5:SP3_SP3_SP3	N[3,5]	C[5]	C[3,5]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[3,5]-4:C[3]-4:C[5]-4:C-4:	N[3,5]-4:C[5]-4:H-1:H-1:	N[3,5]-4:C[3]-4:C[5]-4:H-1:	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]HH)(CC[6a]CH)	C[5](N[3,5]C[3,5]C[3]C)(C[5]C[5]HO)(H)2	C[3,5](N[3,5]C[3]C[5]C)(C[3]N[3,5]HH)(C[5]C[5]HH)(H)	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]HH)(CC[6a]CH){1|O<2>,3|H<1>}	C[5](N[3,5]C[3,5]C[3]C)(C[5]C[5]HO)(H)2{5|H<1>}	C[3,5](N[3,5]C[3]C[5]C)(C[3]N[3,5]HH)(C[5]C[5]HH)(H){1|O<2>,3|H<1>}	108.1280	0.000	1	108.1280	0.000	1	108.1280	0.000	1	108.1280	0.000	1	109.6175	1.388	4	109.5190	1.090	5
234	474	486	5:SP3_SP3_SP3	N[3,5]	C[5]	C[3,5]	4:4:4:4:	4:4:4:4:	4:4:4:1:	C[3,5]-4:C[3]-4:C[5]-4:C-4:	N[3,5]-4:C[5]-4:C-4:C-4:	C[3]-4:N[3,5]-4:C[5]-4:H-1:	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]C[5]H)(C[5]C[5]CC)(CCCH)	C[5](N[3,5]C[3,5]C[3]C)(C[5]C[5]HH)(CH3)2	C[3,5](C[3]N[3,5]C[5]H)(N[3,5]C[3]C[5]C)(C[5]C[5]CC)(H)	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]C[5]H)(C[5]C[5]CC)(CCCH){2|C<4>,2|H<1>,2|N<3>}	C[5](N[3,5]C[3,5]C[3]C)(C[5]C[5]HH)(CH3)2{1|C<3>,2|C<4>,2|H<1>}	C[3,5](C[3]N[3,5]C[5]H)(N[3,5]C[3]C[5]C)(C[5]C[5]CC)(H){2|C<4>,2|H<1>,2|N<3>}	109.2330	0.000	1	109.2330	0.000	1	109.2330	0.000	1	109.2330	0.000	1	109.6175	1.388	4	109.5190	1.090	5
234	474	486	6:SP3_SP3_SP3	N[3,5,6]	C[5,6]	C[3,6,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[3,5,6]-4:C[3,6,6]-4:C[5,6]-4:H-1:	N[3,5,6]-4:C[5,3x6]-4:H-1:H-1:	C[3,5,6]-4:N[3,5,6]-4:C[6,6]-4:H-1:	N[3,5,6](C[3,5,6]C[3,6,6]C[5,6]C)(C[3,6,6]C[3,5,6]C[6,6]H)(C[5,6]C[5,3x6]HH)(H)	C[5,6](N[3,5,6]C[3,5,6]C[3,6,6]H)(C[5,3x6]C[3x6]C[5,6]C[6])(H)2	C[3,6,6](C[3,5,6]N[3,5,6]C[5,6]C)(N[3,5,6]C[3,5,6]C[5,6]H)(C[6,6]C[3x6]HH)(H)	N[3,5,6](C[3,5,6]C[3,6,6]C[5,6]C)(C[3,6,6]C[3,5,6]C[6,6]H)(C[5,6]C[5,3x6]HH)(H){2|C<4>,4|H<1>}	C[5,6](N[3,5,6]C[3,5,6]C[3,6,6]H)(C[5,3x6]C[3x6]C[5,6]C[6])(H)2{4|C<4>,6|H<1>}	C[3,6,6](C[3,5,6]N[3,5,6]C[5,6]C)(N[3,5,6]C[3,5,6]C[5,6]H)(C[6,6]C[3x6]HH)(H){2|C<4>,5|H<1>}	116.5720	0.000	1	116.5720	0.000	1	116.5720	0.000	1	116.5720	0.000	1	116.5720	0.000	1	116.5720	0.000	1
234	474	490	0:SP3_SP3_SP3	N[3,5]	C[5]	C	4:4:4:4:	4:4:1:1:	4:3:4:1:	C[3,5]-4:C[3]-4:C[5]-4:C-4:	N[3,5]-4:C[5]-4:H-1:H-1:	N[3,5]-4:C[6a]-3:C-4:H-1:	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]HH)(CC[6a]CH)	C[5](N[3,5]C[3,5]C[3]C)(C[5]C[5]HO)(H)2	C(N[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]2)(CH3)(H)	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]HH)(CC[6a]CH){1|O<2>,3|H<1>}	C[5](N[3,5]C[3,5]C[3]C)(C[5]C[5]HO)(H)2{5|H<1>}	C(N[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]2)(CH3)(H)	120.4510	0.000	1	120.4510	0.000	1	120.4510	0.000	1	120.4510	0.000	1	123.2020	15.136	2	123.2020	15.136	2
234	474	490	0:SP3_SP3_SP3	N[3,5]	C[5]	C	4:4:4:4:	4:4:4:4:	4:4:4:1:	C[3,5]-4:C[3]-4:C[5]-4:C-4:	N[3,5]-4:C[5]-4:C-4:C-4:	N[3,5]-4:C-4:C-4:H-1:	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]C[5]H)(C[5]C[5]CC)(CCCH)	C[5](N[3,5]C[3,5]C[3]C)(C[5]C[5]HH)(CH3)2	C(N[3,5]C[3,5]C[3]C[5])(CH3)2(H)	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]C[5]H)(C[5]C[5]CC)(CCCH){2|C<4>,2|H<1>,2|N<3>}	C[5](N[3,5]C[3,5]C[3]C)(C[5]C[5]HH)(CH3)2{1|C<3>,2|C<4>,2|H<1>}	C(N[3,5]C[3,5]C[3]C[5])(CH3)2(H)	125.9530	0.000	1	125.9530	0.000	1	125.9530	0.000	1	125.9530	0.000	1	123.2020	15.136	2	123.2020	15.136	2
234	474	951	0:SP3_SP-NON_SP3	N[3,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3,5,6]-4:C[3,6,6]-4:C[5,6]-4:H-1:	N[3,5,6]-4:C[5,3x6]-4:H-1:H-1:	N[3,5,6]-4:	N[3,5,6](C[3,5,6]C[3,6,6]C[5,6]C)(C[3,6,6]C[3,5,6]C[6,6]H)(C[5,6]C[5,3x6]HH)(H)	C[5,6](N[3,5,6]C[3,5,6]C[3,6,6]H)(C[5,3x6]C[3x6]C[5,6]C[6])(H)2	H(N[3,5,6]C[3,5,6]C[3,6,6]C[5,6])	N[3,5,6](C[3,5,6]C[3,6,6]C[5,6]C)(C[3,6,6]C[3,5,6]C[6,6]H)(C[5,6]C[5,3x6]HH)(H){2|C<4>,4|H<1>}	C[5,6](N[3,5,6]C[3,5,6]C[3,6,6]H)(C[5,3x6]C[3x6]C[5,6]C[6])(H)2{4|C<4>,6|H<1>}	H(N[3,5,6]C[3,5,6]C[3,6,6]C[5,6])	119.7690	0.000	1	119.7690	0.000	1	119.7690	0.000	1	119.7690	0.000	1	119.7690	0.000	1	118.9090	0.555	3
234	474	951	0:SP3_SP-NON_SP3	N[3,5]	C[5]	H	4:4:4:1:	4:4:4:4:	4:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	N[3,5]-4:C[5]-4:C-4:C-4:	N[3,5]-4:	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]C[5]H)(C[5]C[5]CC)(H)	C[5](N[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(CH3)2	H(N[3,5]C[3,5]C[3]C[5])	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]C[5]H)(C[5]C[5]CC)(H){2|C<4>,2|H<1>,2|N<3>}	C[5](N[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(CH3)2{1|C<3>,2|C<4>,2|H<1>}	H(N[3,5]C[3,5]C[3]C[5])	118.4790	0.017	2	118.4790	0.000	2	118.4790	0.000	2	118.4790	0.000	2	118.4790	0.000	2	118.9090	0.555	3
234	486	486	3:SP3_SP3_SP3	N[3,5,6]	C[3,5,6]	C[3,6,6]	4:4:4:1:	4:4:4:4:	4:4:4:1:	C[3,5,6]-4:C[3,6,6]-4:C[5,6]-4:H-1:	C[3,6,6]-4:N[3,5,6]-4:C[5,6]-4:C-4:	C[3,5,6]-4:N[3,5,6]-4:C[6,6]-4:H-1:	N[3,5,6](C[3,5,6]C[3,6,6]C[5,6]C)(C[3,6,6]C[3,5,6]C[6,6]H)(C[5,6]C[5,3x6]HH)(H)	C[3,5,6](C[3,6,6]N[3,5,6]C[6,6]H)(N[3,5,6]C[3,6,6]C[5,6]H)(C[5,6]C[5,3x6]HH)(CH3)	C[3,6,6](C[3,5,6]N[3,5,6]C[5,6]C)(N[3,5,6]C[3,5,6]C[5,6]H)(C[6,6]C[3x6]HH)(H)	N[3,5,6](C[3,5,6]C[3,6,6]C[5,6]C)(C[3,6,6]C[3,5,6]C[6,6]H)(C[5,6]C[5,3x6]HH)(H){2|C<4>,4|H<1>}	C[3,5,6](C[3,6,6]N[3,5,6]C[6,6]H)(N[3,5,6]C[3,6,6]C[5,6]H)(C[5,6]C[5,3x6]HH)(CH3){2|C<4>,4|H<1>}	C[3,6,6](C[3,5,6]N[3,5,6]C[5,6]C)(N[3,5,6]C[3,5,6]C[5,6]H)(C[6,6]C[3x6]HH)(H){2|C<4>,5|H<1>}	58.4007	0.000	1	58.4007	0.000	1	58.4007	0.000	1	58.4007	0.000	1	58.4007	0.000	1	59.2540	0.586	6
234	486	486	3:SP3_SP3_SP3	N[3,5]	C[3,5]	C[3]	4:4:4:1:	4:4:4:1:	4:4:3:1:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[3]-4:N[3,5]-4:C[5]-4:H-1:	C[3,5]-4:N[3,5]-4:C[5]-3:H-1:	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]C[5]H)(C[5]C[5]CC)(H)	C[3,5](C[3]N[3,5]C[5]H)(N[3,5]C[3]C[5]H)(C[5]C[5]CC)(H)	C[3](C[3,5]N[3,5]C[5]H)(N[3,5]C[3,5]C[5]H)(C[5]N[5]2)(H)	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]C[5]H)(C[5]C[5]CC)(H){2|C<4>,2|H<1>,2|N<3>}	C[3,5](C[3]N[3,5]C[5]H)(N[3,5]C[3]C[5]H)(C[5]C[5]CC)(H){2|C<4>,2|H<1>,2|N<3>}	C[3](C[3,5]N[3,5]C[5]H)(N[3,5]C[3,5]C[5]H)(C[5]N[5]2)(H){2|C<3>,7|C<4>}	60.2076	0.051	2	60.2076	0.003	2	60.2076	0.003	2	60.2076	0.003	2	59.5769	0.531	4	59.2540	0.586	6
234	486	486	3:SP3_SP3_SP3	N[3,5]	C[3,5]	C[3]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[3,5]-4:C[3]-4:C[5]-4:C-4:	N[3,5]-4:C[3]-4:C[5]-4:H-1:	C[3,5]-4:N[3,5]-4:H-1:H-1:	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]HH)(CC[6a]CH)	C[3,5](N[3,5]C[3]C[5]C)(C[3]N[3,5]HH)(C[5]C[5]HH)(H)	C[3](C[3,5]N[3,5]C[5]H)(N[3,5]C[3,5]C[5]C)(H)2	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]HH)(CC[6a]CH){1|O<2>,3|H<1>}	C[3,5](N[3,5]C[3]C[5]C)(C[3]N[3,5]HH)(C[5]C[5]HH)(H){1|O<2>,3|H<1>}	C[3](C[3,5]N[3,5]C[5]H)(N[3,5]C[3,5]C[5]C)(H)2{1|C<4>,4|H<1>}	58.9511	0.000	1	58.9511	0.000	1	58.9511	0.000	1	58.9511	0.000	1	59.5769	0.531	4	59.2540	0.586	6
234	486	486	3:SP3_SP3_SP3	N[3,5]	C[3,5]	C[3]	4:4:4:4:	4:4:4:1:	4:4:3:1:	C[3,5]-4:C[3]-4:C[5]-4:C-4:	C[3]-4:N[3,5]-4:C[5]-4:H-1:	C[3,5]-4:N[3,5]-4:C[5]-3:H-1:	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]C[5]H)(C[5]C[5]CC)(CCCH)	C[3,5](C[3]N[3,5]C[5]H)(N[3,5]C[3]C[5]C)(C[5]C[5]CC)(H)	C[3](C[3,5]N[3,5]C[5]H)(N[3,5]C[3,5]C[5]C)(C[5]N[5]2)(H)	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]C[5]H)(C[5]C[5]CC)(CCCH){2|C<4>,2|H<1>,2|N<3>}	C[3,5](C[3]N[3,5]C[5]H)(N[3,5]C[3]C[5]C)(C[5]C[5]CC)(H){2|C<4>,2|H<1>,2|N<3>}	C[3](C[3,5]N[3,5]C[5]H)(N[3,5]C[3,5]C[5]C)(C[5]N[5]2)(H){2|C<3>,7|C<4>}	58.9411	0.000	1	58.9411	0.000	1	58.9411	0.000	1	58.9411	0.000	1	59.5769	0.531	4	59.2540	0.586	6
234	486	486	3:SP3_SP3_SP3	N[3,5]	C[3]	C[3,5]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[3,5]-4:C[3]-4:B[5]-4:C-4:	C[3,5]-4:N[3,5]-4:H-1:H-1:	N[3,5]-4:C[3]-4:C[5]-4:H-1:	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(B[5]O[5]CC)(CC[6a]CH)	C[3](C[3,5]N[3,5]C[5]H)(N[3,5]C[3,5]B[5]C)(H)2	C[3,5](N[3,5]B[5]C[3]C)(C[3]N[3,5]HH)(C[5]O[5]HH)(H)	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(B[5]O[5]CC)(CC[6a]CH){2|H<1>}	C[3](C[3,5]N[3,5]C[5]H)(N[3,5]C[3,5]B[5]C)(H)2{1|O<2>,2|C<2>,2|H<1>}	C[3,5](N[3,5]B[5]C[3]C)(C[3]N[3,5]HH)(C[5]O[5]HH)(H){2|C<2>}	58.8159	0.000	1	58.8159	0.000	1	58.8159	0.000	1	58.8159	0.000	1	58.8159	0.000	1	59.2540	0.586	6
234	486	490	0:SP3_SP3_SP3	N[3,5]	C[3,5]	C	4:4:4:4:	4:4:4:1:	4:3:4:1:	C[3,5]-4:C[3]-4:B[5]-4:C-4:	N[3,5]-4:C[3]-4:C[5]-4:H-1:	N[3,5]-4:C[6a]-3:C-4:H-1:	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(B[5]O[5]CC)(CC[6a]CH)	C[3,5](N[3,5]B[5]C[3]C)(C[3]N[3,5]HH)(C[5]O[5]HH)(H)	C(N[3,5]C[3,5]B[5]C[3])(C[6a]C[6a]2)(CH3)(H)	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(B[5]O[5]CC)(CC[6a]CH){2|H<1>}	C[3,5](N[3,5]B[5]C[3]C)(C[3]N[3,5]HH)(C[5]O[5]HH)(H){2|C<2>}	C(N[3,5]C[3,5]B[5]C[3])(C[6a]C[6a]2)(CH3)(H)	123.4360	0.000	1	123.4360	0.000	1	123.4360	0.000	1	122.4585	1.911	2	119.9583	19.708	3	118.9569	8.086	7
234	486	490	0:SP3_SP3_SP3	N[3,5]	C[3,5]	C	4:4:4:4:	4:4:4:1:	4:3:4:1:	C[3,5]-4:C[3]-4:C[5]-4:C-4:	N[3,5]-4:C[3]-4:C[5]-4:H-1:	N[3,5]-4:C[6a]-3:C-4:H-1:	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]HH)(CC[6a]CH)	C[3,5](N[3,5]C[3]C[5]C)(C[3]N[3,5]HH)(C[5]C[5]HH)(H)	C(N[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]2)(CH3)(H)	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]HH)(CC[6a]CH){1|O<2>,3|H<1>}	C[3,5](N[3,5]C[3]C[5]C)(C[3]N[3,5]HH)(C[5]C[5]HH)(H){1|O<2>,3|H<1>}	C(N[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]2)(CH3)(H)	121.4810	0.000	1	121.4810	0.000	1	121.4810	0.000	1	122.4585	1.911	2	119.9583	19.708	3	118.9569	8.086	7
234	486	490	0:SP3_SP3_SP3	N[3,5]	C[3,5]	C	4:4:4:4:	4:4:4:1:	4:4:4:1:	C[3,5]-4:C[3]-4:C[5]-4:C-4:	C[3]-4:N[3,5]-4:C[5]-4:H-1:	N[3,5]-4:C-4:C-4:H-1:	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]C[5]H)(C[5]C[5]CC)(CCCH)	C[3,5](C[3]N[3,5]C[5]H)(N[3,5]C[3]C[5]C)(C[5]C[5]CC)(H)	C(N[3,5]C[3,5]C[3]C[5])(CH3)2(H)	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]C[5]H)(C[5]C[5]CC)(CCCH){2|C<4>,2|H<1>,2|N<3>}	C[3,5](C[3]N[3,5]C[5]H)(N[3,5]C[3]C[5]C)(C[5]C[5]CC)(H){2|C<4>,2|H<1>,2|N<3>}	C(N[3,5]C[3,5]C[3]C[5])(CH3)2(H)	114.9580	0.000	1	114.9580	0.000	1	114.9580	0.000	1	114.9580	0.000	1	119.9583	19.708	3	118.9569	8.086	7
234	486	490	0:SP3_SP3_SP3	N[3,5]	C[3]	C	4:4:4:4:	4:4:1:1:	4:3:4:1:	C[3,5]-4:C[3]-4:B[5]-4:C-4:	C[3,5]-4:N[3,5]-4:H-1:H-1:	N[3,5]-4:C[6a]-3:C-4:H-1:	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(B[5]O[5]CC)(CC[6a]CH)	C[3](C[3,5]N[3,5]C[5]H)(N[3,5]C[3,5]B[5]C)(H)2	C(N[3,5]C[3,5]B[5]C[3])(C[6a]C[6a]2)(CH3)(H)	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(B[5]O[5]CC)(CC[6a]CH){2|H<1>}	C[3](C[3,5]N[3,5]C[5]H)(N[3,5]C[3,5]B[5]C)(H)2{1|O<2>,2|C<2>,2|H<1>}	C(N[3,5]C[3,5]B[5]C[3])(C[6a]C[6a]2)(CH3)(H)	118.4920	0.000	1	118.4920	0.000	1	118.4920	0.000	1	118.3595	0.035	2	117.8033	0.946	3	118.9569	8.086	7
234	486	490	0:SP3_SP3_SP3	N[3,5]	C[3]	C	4:4:4:4:	4:4:1:1:	4:3:4:1:	C[3,5]-4:C[3]-4:C[5]-4:C-4:	C[3,5]-4:N[3,5]-4:H-1:H-1:	N[3,5]-4:C[6a]-3:C-4:H-1:	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]HH)(CC[6a]CH)	C[3](C[3,5]N[3,5]C[5]H)(N[3,5]C[3,5]C[5]C)(H)2	C(N[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]2)(CH3)(H)	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]HH)(CC[6a]CH){1|O<2>,3|H<1>}	C[3](C[3,5]N[3,5]C[5]H)(N[3,5]C[3,5]C[5]C)(H)2{1|C<4>,4|H<1>}	C(N[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]2)(CH3)(H)	118.2270	0.000	1	118.2270	0.000	1	118.2270	0.000	1	118.3595	0.035	2	117.8033	0.946	3	118.9569	8.086	7
234	486	490	0:SP3_SP3_SP3	N[3,5]	C[3]	C	4:4:4:4:	4:4:3:1:	4:4:4:1:	C[3,5]-4:C[3]-4:C[5]-4:C-4:	C[3,5]-4:N[3,5]-4:C[5]-3:H-1:	N[3,5]-4:C-4:C-4:H-1:	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]C[5]H)(C[5]C[5]CC)(CCCH)	C[3](C[3,5]N[3,5]C[5]H)(N[3,5]C[3,5]C[5]C)(C[5]N[5]2)(H)	C(N[3,5]C[3,5]C[3]C[5])(CH3)2(H)	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]C[5]H)(C[5]C[5]CC)(CCCH){2|C<4>,2|H<1>,2|N<3>}	C[3](C[3,5]N[3,5]C[5]H)(N[3,5]C[3,5]C[5]C)(C[5]N[5]2)(H){2|C<3>,7|C<4>}	C(N[3,5]C[3,5]C[3]C[5])(CH3)2(H)	116.6910	0.000	1	116.6910	0.000	1	116.6910	0.000	1	116.6910	0.000	1	117.8033	0.946	3	118.9569	8.086	7
234	486	490	0:SP3_SP3_SP3	N[3,6]	C[3,6]	C	4:4:2:4:	3:4:2:1:	4:1:1:1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[6,6a]-3:N[3,6]-4:O[3]-2:H-1:	N[3,6]-4:H-1:H-1:H-1:	N[3,6](C[3,6]C[6,6a]O[3]H)(C[6]C[6]CH)(O[3]C[3,6])(CH3)	C[3,6](C[6,6a]C[6,6a]C[6a])(N[3,6]C[6]O[3]C)(O[3]N[3,6])(H)	C(N[3,6]C[3,6]C[6]O[3])(H)3	N[3,6](C[3,6]C[6,6a]O[3]H)(C[6]C[6]CH)(O[3]C[3,6])(CH3){1|H<1>,3|C<3>}	C[3,6](C[6,6a]C[6,6a]C[6a])(N[3,6]C[6]O[3]C)(O[3]N[3,6])(H){2|C<3>,2|C<4>,2|H<1>}	C(N[3,6]C[3,6]C[6]O[3])(H)3	119.4130	0.000	1	119.4130	0.000	1	119.4130	0.000	1	119.4130	0.000	1	119.4130	0.000	1	118.9569	8.086	7
234	486	786	0:SP3_SP3_SP3	N[3,5]	C[3]	B[5]	4:4:4:4:	4:4:1:1:	4:2:2:2:	C[3,5]-4:C[3]-4:B[5]-4:C-4:	C[3,5]-4:N[3,5]-4:H-1:H-1:	N[3,5]-4:O[5]-2:C-2:C-2:	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(B[5]O[5]CC)(CC[6a]CH)	C[3](C[3,5]N[3,5]C[5]H)(N[3,5]C[3,5]B[5]C)(H)2	B[5](N[3,5]C[3,5]C[3]C)(O[5]C[5])(CN)2	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(B[5]O[5]CC)(CC[6a]CH){2|H<1>}	C[3](C[3,5]N[3,5]C[5]H)(N[3,5]C[3,5]B[5]C)(H)2{1|O<2>,2|C<2>,2|H<1>}	B[5](N[3,5]C[3,5]C[3]C)(O[5]C[5])(CN)2{5|H<1>}	113.3420	0.000	1	113.3420	0.000	1	113.3420	0.000	1	113.3420	0.000	1	113.3420	0.000	1	113.3420	0.000	1
234	486	786	5:SP3_SP3_SP3	N[3,5]	C[3,5]	B[5]	4:4:4:4:	4:4:4:1:	4:2:2:2:	C[3,5]-4:C[3]-4:B[5]-4:C-4:	N[3,5]-4:C[3]-4:C[5]-4:H-1:	N[3,5]-4:O[5]-2:C-2:C-2:	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(B[5]O[5]CC)(CC[6a]CH)	C[3,5](N[3,5]B[5]C[3]C)(C[3]N[3,5]HH)(C[5]O[5]HH)(H)	B[5](N[3,5]C[3,5]C[3]C)(O[5]C[5])(CN)2	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(B[5]O[5]CC)(CC[6a]CH){2|H<1>}	C[3,5](N[3,5]B[5]C[3]C)(C[3]N[3,5]HH)(C[5]O[5]HH)(H){2|C<2>}	B[5](N[3,5]C[3,5]C[3]C)(O[5]C[5])(CN)2{5|H<1>}	102.8670	0.000	1	102.8670	0.000	1	102.8670	0.000	1	102.8670	0.000	1	102.8670	0.000	1	102.8670	0.000	1
234	486	902	3:SP3_SP2_SP3	N[3,6]	C[3]	C[3]	4:4:4:3:	4:3:1:1:	4:4:3:	C[3]-4:C[6]-4:C[6]-4:C[3]-3:	N[3,6]-4:C[3]-3:H-1:H-1:	N[3,6]-4:C[3]-4:C-3:	N[3,6](C[3]C[3]HH)(C[6]C[6]CC)2(C[3]C[3]C)	C[3](N[3,6]C[3]C[6]2)(C[3]N[3,6]C)(H)2	C[3](N[3,6]C[3]C[6]2)(C[3]N[3,6]HH)(CBH)	N[3,6](C[3]C[3]HH)(C[6]C[6]CC)2(C[3]C[3]C){1|C<4>,4|H<1>}	C[3](N[3,6]C[3]C[6]2)(C[3]N[3,6]C)(H)2{6|C<4>}	C[3](N[3,6]C[3]C[6]2)(C[3]N[3,6]HH)(CBH){6|C<4>}	56.7285	0.215	2	56.7285	0.046	2	56.7285	0.046	2	56.7285	0.046	2	56.7285	0.046	2	56.7285	0.046	2
234	486	951	0:SP3_SP-NON_SP3	N[3,5,6]	C[3,5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[3,5,6]-4:C[3,6,6]-4:C[5,6]-4:H-1:	C[3,6,6]-4:N[3,5,6]-4:C[5,6]-4:C-4:	N[3,5,6]-4:	N[3,5,6](C[3,5,6]C[3,6,6]C[5,6]C)(C[3,6,6]C[3,5,6]C[6,6]H)(C[5,6]C[5,3x6]HH)(H)	C[3,5,6](C[3,6,6]N[3,5,6]C[6,6]H)(N[3,5,6]C[3,6,6]C[5,6]H)(C[5,6]C[5,3x6]HH)(CH3)	H(N[3,5,6]C[3,5,6]C[3,6,6]C[5,6])	N[3,5,6](C[3,5,6]C[3,6,6]C[5,6]C)(C[3,6,6]C[3,5,6]C[6,6]H)(C[5,6]C[5,3x6]HH)(H){2|C<4>,4|H<1>}	C[3,5,6](C[3,6,6]N[3,5,6]C[6,6]H)(N[3,5,6]C[3,6,6]C[5,6]H)(C[5,6]C[5,3x6]HH)(CH3){2|C<4>,4|H<1>}	H(N[3,5,6]C[3,5,6]C[3,6,6]C[5,6])	117.0330	0.000	1	117.0330	0.000	1	117.0330	0.000	1	117.0330	0.000	1	117.0330	0.000	1	118.9959	1.514	7
234	486	951	0:SP3_SP-NON_SP3	N[3,5,6]	C[3,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3,5,6]-4:C[3,6,6]-4:C[5,6]-4:H-1:	C[3,5,6]-4:N[3,5,6]-4:C[6,6]-4:H-1:	N[3,5,6]-4:	N[3,5,6](C[3,5,6]C[3,6,6]C[5,6]C)(C[3,6,6]C[3,5,6]C[6,6]H)(C[5,6]C[5,3x6]HH)(H)	C[3,6,6](C[3,5,6]N[3,5,6]C[5,6]C)(N[3,5,6]C[3,5,6]C[5,6]H)(C[6,6]C[3x6]HH)(H)	H(N[3,5,6]C[3,5,6]C[3,6,6]C[5,6])	N[3,5,6](C[3,5,6]C[3,6,6]C[5,6]C)(C[3,6,6]C[3,5,6]C[6,6]H)(C[5,6]C[5,3x6]HH)(H){2|C<4>,4|H<1>}	C[3,6,6](C[3,5,6]N[3,5,6]C[5,6]C)(N[3,5,6]C[3,5,6]C[5,6]H)(C[6,6]C[3x6]HH)(H){2|C<4>,5|H<1>}	H(N[3,5,6]C[3,5,6]C[3,6,6]C[5,6])	119.7540	0.000	1	119.7540	0.000	1	119.7540	0.000	1	119.7540	0.000	1	119.7540	0.000	1	118.9959	1.514	7
234	486	951	0:SP3_SP-NON_SP3	N[3,5]	C[3,5]	H	4:4:4:1:	4:4:4:1:	4:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[3]-4:N[3,5]-4:C[5]-4:H-1:	N[3,5]-4:	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]C[5]H)(C[5]C[5]CC)(H)	C[3,5](C[3]N[3,5]C[5]H)(N[3,5]C[3]C[5]H)(C[5]C[5]CC)(H)	H(N[3,5]C[3,5]C[3]C[5])	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]C[5]H)(C[5]C[5]CC)(H){2|C<4>,2|H<1>,2|N<3>}	C[3,5](C[3]N[3,5]C[5]H)(N[3,5]C[3]C[5]H)(C[5]C[5]CC)(H){2|C<4>,2|H<1>,2|N<3>}	H(N[3,5]C[3,5]C[3]C[5])	118.4780	0.000	1	118.4780	0.000	1	118.4780	0.000	1	118.4780	0.000	1	118.4780	0.000	1	118.9959	1.514	7
234	486	951	0:SP3_SP-NON_SP3	N[3,5]	C[3]	H	4:4:4:1:	4:4:3:1:	4:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[3,5]-4:N[3,5]-4:C[5]-3:H-1:	N[3,5]-4:	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]C[5]H)(C[5]C[5]CC)(H)	C[3](C[3,5]N[3,5]C[5]H)(N[3,5]C[3,5]C[5]H)(C[5]N[5]2)(H)	H(N[3,5]C[3,5]C[3]C[5])	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]C[5]H)(C[5]C[5]CC)(H){2|C<4>,2|H<1>,2|N<3>}	C[3](C[3,5]N[3,5]C[5]H)(N[3,5]C[3,5]C[5]H)(C[5]N[5]2)(H){2|C<3>,7|C<4>}	H(N[3,5]C[3,5]C[3]C[5])	118.4785	0.006	2	118.4785	0.000	2	118.4785	0.000	2	118.4785	0.000	2	118.4785	0.000	2	118.9959	1.514	7
234	486	951	0:SP3_SP-NON_SP3	N[3]	C[3]	H	4:4:2:1:	3:4:2:1:	4:	C[3]-4:S-4:O[3]-2:H-1:	C[6a]-3:N[3]-4:O[3]-2:H-1:	N[3]-4:	N[3](C[3]C[6a]O[3]H)(SC[6a]OO)(O[3]C[3])(H)	C[3](C[6a]C[6a]2)(N[3]O[3]HS)(O[3]N[3])(H)	H(N[3]C[3]O[3]S)	N[3](C[3]C[6a]O[3]H)(SC[6a]OO)(O[3]C[3])(H){2|C<3>}	C[3](C[6a]C[6a]2)(N[3]O[3]HS)(O[3]N[3])(H){1|Cl<1>,1|H<1>,2|C<3>}	H(N[3]C[3]O[3]S)	120.3745	0.223	2	120.3745	0.050	2	120.3745	0.050	2	120.3745	0.050	2	120.3745	0.050	2	118.9959	1.514	7
234	486	952	0:SP3_SP3_SP3	N[3]	C[3]	S	4:4:2:1:	3:4:2:1:	4:3:1:1:	C[3]-4:S-4:O[3]-2:H-1:	C[6a]-3:N[3]-4:O[3]-2:H-1:	N[3]-4:C[6a]-3:O-1:O-1:	N[3](C[3]C[6a]O[3]H)(SC[6a]OO)(O[3]C[3])(H)	C[3](C[6a]C[6a]2)(N[3]O[3]HS)(O[3]N[3])(H)	S(N[3]C[3]O[3]H)(C[6a]C[6a]2)(O)2	N[3](C[3]C[6a]O[3]H)(SC[6a]OO)(O[3]C[3])(H){2|C<3>}	C[3](C[6a]C[6a]2)(N[3]O[3]HS)(O[3]N[3])(H){1|Cl<1>,1|H<1>,2|C<3>}	S(N[3]C[3]O[3]H)(C[6a]C[6a]2)(O)2	113.6875	0.678	2	113.6875	0.460	2	113.6875	0.460	2	113.6875	0.460	2	113.6875	0.460	2	113.6875	0.460	2
234	486	962	3:SP3_SP3_SP3	N[3,6]	C[3,6]	O[3]	4:4:2:4:	3:4:2:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[6,6a]-3:N[3,6]-4:O[3]-2:H-1:	C[3,6]-4:N[3,6]-4:	N[3,6](C[3,6]C[6,6a]O[3]H)(C[6]C[6]CH)(O[3]C[3,6])(CH3)	C[3,6](C[6,6a]C[6,6a]C[6a])(N[3,6]C[6]O[3]C)(O[3]N[3,6])(H)	O[3](C[3,6]C[6,6a]N[3,6]H)(N[3,6]C[3,6]C[6]C)	N[3,6](C[3,6]C[6,6a]O[3]H)(C[6]C[6]CH)(O[3]C[3,6])(CH3){1|H<1>,3|C<3>}	C[3,6](C[6,6a]C[6,6a]C[6a])(N[3,6]C[6]O[3]C)(O[3]N[3,6])(H){2|C<3>,2|C<4>,2|H<1>}	O[3](C[3,6]C[6,6a]N[3,6]H)(N[3,6]C[3,6]C[6]C){1|H<1>,2|C<3>,2|C<4>}	59.1206	0.000	1	59.1206	0.000	1	59.1206	0.000	1	59.1206	0.000	1	59.1206	0.000	1	57.5874	1.848	3
234	486	962	3:SP3_SP3_SP3	N[3]	C[3]	O[3]	4:4:2:1:	3:4:2:1:	4:4:	C[3]-4:S-4:O[3]-2:H-1:	C[6a]-3:N[3]-4:O[3]-2:H-1:	C[3]-4:N[3]-4:	N[3](C[3]C[6a]O[3]H)(SC[6a]OO)(O[3]C[3])(H)	C[3](C[6a]C[6a]2)(N[3]O[3]HS)(O[3]N[3])(H)	O[3](C[3]C[6a]N[3]H)(N[3]C[3]HS)	N[3](C[3]C[6a]O[3]H)(SC[6a]OO)(O[3]C[3])(H){2|C<3>}	C[3](C[6a]C[6a]2)(N[3]O[3]HS)(O[3]N[3])(H){1|Cl<1>,1|H<1>,2|C<3>}	O[3](C[3]C[6a]N[3]H)(N[3]C[3]HS){2|C<3>}	56.8208	0.411	2	56.8208	0.169	2	56.8208	0.169	2	56.8208	0.169	2	56.8208	0.169	2	57.5874	1.848	3
234	490	490	0:SP3_SP3_SP3	N[3]	C	C	5:2:4:4:	4:1:1:1:	4:1:1:1:	Si[3]-5:O[3]-2:C-4:C-4:	N[3]-4:H-1:H-1:H-1:	N[3]-4:H-1:H-1:H-1:	N[3](Si[3]O[3]F3)(O[3]Si[3])(CH3)2	C(N[3]Si[3]O[3]C)(H)3	C(N[3]Si[3]O[3]C)(H)3	N[3](Si[3]O[3]F3)(O[3]Si[3])(CH3)2	C(N[3]Si[3]O[3]C)(H)3	C(N[3]Si[3]O[3]C)(H)3	112.5930	0.000	1	112.5930	0.000	1	112.5930	0.000	1	112.5930	0.000	1	111.5060	1.051	3	111.5060	1.051	3
234	490	490	0:SP3_SP3_SP3	N[3]	C	C	7:2:4:4:	4:1:1:1:	4:1:1:1:	Nb[3,3]-7:O[3]-2:C-4:C-4:	N[3]-4:H-1:H-1:H-1:	N[3]-4:H-1:H-1:H-1:	N[3](Nb[3,3]N[3]O[3]2N3)(O[3]Nb[3,3])(CH3)2	C(N[3]Nb[3,3]O[3]C)(H)3	C(N[3]Nb[3,3]O[3]C)(H)3	N[3](Nb[3,3]N[3]O[3]2N3)(O[3]Nb[3,3])(CH3)2{2|C<4>}	C(N[3]Nb[3,3]O[3]C)(H)3	C(N[3]Nb[3,3]O[3]C)(H)3	110.9625	0.573	2	110.9625	0.329	2	110.9625	0.329	2	110.9625	0.329	2	111.5060	1.051	3	111.5060	1.051	3
234	490	654	0:SP3_SP3_SP3	N[3,4]	C	B[3,3]	5:4:4:4:	4:4:4:4:	5:4:3:3:	Ga[3,3,4]-5:B[3,3]-4:Ga[4]-4:C-4:	N[3,4]-4:C-4:C-4:C-4:	Ga[3,3,4]-5:N[3,4]-4:N[3]-3:C[6a]-3:	N[3,4](Ga[3,3,4]B[3,3]N[3]N[4]Cl)(B[3,3]Ga[3,3,4]C[6a]N[3])(Ga[4]N[4]Cl2)(CC3)	C(N[3,4]Ga[3,3,4]B[3,3]Ga[4])(CH3)3	B[3,3](Ga[3,3,4]N[3,4]N[3]N[4]Cl)(N[3,4]Ga[3,3,4]Ga[4]C)(N[3]Ga[3,3,4]C)(C[6a]C[6a]2)	N[3,4](Ga[3,3,4]B[3,3]N[3]N[4]Cl)(B[3,3]Ga[3,3,4]C[6a]N[3])(Ga[4]N[4]Cl2)(CC3){1|H<1>,2|C<3>,2|C<4>}	C(N[3,4]Ga[3,3,4]B[3,3]Ga[4])(CH3)3	B[3,3](Ga[3,3,4]N[3,4]N[3]N[4]Cl)(N[3,4]Ga[3,3,4]Ga[4]C)(N[3]Ga[3,3,4]C)(C[6a]C[6a]2){2|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	119.5430	0.000	1	119.5430	0.000	1	119.5430	0.000	1	119.5430	0.000	1	117.6275	7.338	2	117.6275	7.338	2
234	490	654	0:SP3_SP3_SP3	N[3,4]	C	B[3,3]	5:5:4:4:	4:4:4:4:	5:4:3:3:	Ga[3,3,4]-5:Ga[3,3,4]-5:B[3,3]-4:C-4:	N[3,4]-4:C-4:C-4:C-4:	Ga[3,3,4]-5:N[3,4]-4:N[3]-3:C[6a]-3:	N[3,4](Ga[3,3,4]B[3,3]N[3,4]N[3]Cl)2(B[3,3]Ga[3,3,4]C[6a]N[3])(CC3)	C(N[3,4]Ga[3,3,4]2B[3,3])(CH3)3	B[3,3](Ga[3,3,4]N[3,4]2N[3]Cl)(N[3,4]Ga[3,3,4]2C)(N[3]Ga[3,3,4]C)(C[6a]C[6a]2)	N[3,4](Ga[3,3,4]B[3,3]N[3,4]N[3]Cl)2(B[3,3]Ga[3,3,4]C[6a]N[3])(CC3){3|C<3>,3|C<4>}	C(N[3,4]Ga[3,3,4]2B[3,3])(CH3)3	B[3,3](Ga[3,3,4]N[3,4]2N[3]Cl)(N[3,4]Ga[3,3,4]2C)(N[3]Ga[3,3,4]C)(C[6a]C[6a]2){1|Cl<1>,1|B<4>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	115.7120	0.000	1	115.7120	0.000	1	115.7120	0.000	1	115.7120	0.000	1	117.6275	7.338	2	117.6275	7.338	2
234	490	778	0:SP3_SP3_SPD5	N[3]	C	C[3]	5:2:4:1:	4:1:1:1:	4:2:1:1:1:	C[3]-5:H[3]-2:C-4:H-1:	N[3]-4:H-1:H-1:H-1:	N[3]-4:H[3]-2:H-1:H-1:H-1:	N[3](C[3]H[3]H3)(H[3]C[3])(CH3)(H)	C(N[3]C[3]H[3]H)(H)3	C[3](N[3]H[3]CH)(H[3]N[3])(H)3	N[3](C[3]H[3]H3)(H[3]C[3])(CH3)(H)	C(N[3]C[3]H[3]H)(H)3	C[3](N[3]H[3]CH)(H[3]N[3])(H)3	111.9450	0.000	1	111.9450	0.000	1	111.9450	0.000	1	111.9450	0.000	1	111.9450	0.000	1	111.9450	0.000	1
234	490	786	0:SP3_SP3_SP3	N[3,5]	C	B[5]	4:4:4:4:	4:3:4:1:	4:2:2:2:	C[3,5]-4:C[3]-4:B[5]-4:C-4:	N[3,5]-4:C[6a]-3:C-4:H-1:	N[3,5]-4:O[5]-2:C-2:C-2:	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(B[5]O[5]CC)(CC[6a]CH)	C(N[3,5]C[3,5]B[5]C[3])(C[6a]C[6a]2)(CH3)(H)	B[5](N[3,5]C[3,5]C[3]C)(O[5]C[5])(CN)2	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(B[5]O[5]CC)(CC[6a]CH){2|H<1>}	C(N[3,5]C[3,5]B[5]C[3])(C[6a]C[6a]2)(CH3)(H)	B[5](N[3,5]C[3,5]C[3]C)(O[5]C[5])(CN)2{5|H<1>}	122.7910	0.000	1	122.7910	0.000	1	122.7910	0.000	1	122.7910	0.000	1	122.7910	0.000	1	122.7910	0.000	1
234	490	878	0:SP3_SP-NON_SP3	N[3,4]	C	Ga[4]	5:4:4:4:	4:4:4:4:	4:4:1:1:	Ga[3,3,4]-5:B[3,3]-4:Ga[4]-4:C-4:	N[3,4]-4:C-4:C-4:C-4:	N[3,4]-4:N[4]-4:Cl-1:Cl-1:	N[3,4](Ga[3,3,4]B[3,3]N[3]N[4]Cl)(B[3,3]Ga[3,3,4]C[6a]N[3])(Ga[4]N[4]Cl2)(CC3)	C(N[3,4]Ga[3,3,4]B[3,3]Ga[4])(CH3)3	Ga[4](N[3,4]Ga[3,3,4]B[3,3]C)(N[4]Ga[3,3,4]CH)(Cl)2	N[3,4](Ga[3,3,4]B[3,3]N[3]N[4]Cl)(B[3,3]Ga[3,3,4]C[6a]N[3])(Ga[4]N[4]Cl2)(CC3){1|H<1>,2|C<3>,2|C<4>}	C(N[3,4]Ga[3,3,4]B[3,3]Ga[4])(CH3)3	Ga[4](N[3,4]Ga[3,3,4]B[3,3]C)(N[4]Ga[3,3,4]CH)(Cl)2{1|Cl<1>,1|C<3>,1|N<3>}	120.0100	0.000	1	120.0100	0.000	1	120.0100	0.000	1	120.0100	0.000	1	120.0100	0.000	1	120.0100	0.000	1
234	490	881	0:SP3_SP3_SPD5	N[3]	C	Si[3]	5:2:4:4:	4:1:1:1:	4:2:1:1:1:	Si[3]-5:O[3]-2:C-4:C-4:	N[3]-4:H-1:H-1:H-1:	N[3]-4:O[3]-2:F-1:F-1:F-1:	N[3](Si[3]O[3]F3)(O[3]Si[3])(CH3)2	C(N[3]Si[3]O[3]C)(H)3	Si[3](N[3]O[3]CC)(O[3]N[3])(F)3	N[3](Si[3]O[3]F3)(O[3]Si[3])(CH3)2	C(N[3]Si[3]O[3]C)(H)3	Si[3](N[3]O[3]CC)(O[3]N[3])(F)3	123.6865	0.760	2	123.6865	0.578	2	123.6865	0.578	2	123.6865	0.578	2	123.6865	0.578	2	123.6865	0.578	2
234	490	930	0:SP3_SP2_SP3	N[3]	C	C	6:6:4:3:	4:1:1:1:	4:1:1:	C[3x3]-6:C[3x3]-6:C-4:C-3:	N[3]-4:H-1:H-1:H-1:	N[3]-4:H-1:O-1:	N[3](C[3x3]C[3x3]H[3]2HH)2(CH3)(CHO)	C(N[3]C[3x3]2C)(H)3	C(N[3]C[3x3]2C)(H)(O)	N[3](C[3x3]C[3x3]H[3]2HH)2(CH3)(CHO)	C(N[3]C[3x3]2C)(H)3	C(N[3]C[3x3]2C)(H)(O)	123.9670	0.000	1	123.9670	0.000	1	123.9670	0.000	1	123.9670	0.000	1	123.9670	0.000	1	123.9670	0.000	1
234	490	951	0:SP3_SP-NON_SP3	N[3]	C	H	5:2:4:1:	4:1:1:1:	4:	C[3]-5:H[3]-2:C-4:H-1:	N[3]-4:H-1:H-1:H-1:	N[3]-4:	N[3](C[3]H[3]H3)(H[3]C[3])(CH3)(H)	C(N[3]C[3]H[3]H)(H)3	H(N[3]C[3]H[3]C)	N[3](C[3]H[3]H3)(H[3]C[3])(CH3)(H)	C(N[3]C[3]H[3]H)(H)3	H(N[3]C[3]H[3]C)	109.7310	0.000	1	109.7310	0.000	1	109.7310	0.000	1	109.7310	0.000	1	109.7310	0.000	1	109.7310	0.000	1
234	490	962	0:SP3_SP3_SP3	N[3,6]	C	O[3]	4:4:2:4:	4:1:1:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	N[3,6]-4:H-1:H-1:H-1:	C[3,6]-4:N[3,6]-4:	N[3,6](C[3,6]C[6,6a]O[3]H)(C[6]C[6]CH)(O[3]C[3,6])(CH3)	C(N[3,6]C[3,6]C[6]O[3])(H)3	O[3](C[3,6]C[6,6a]N[3,6]H)(N[3,6]C[3,6]C[6]C)	N[3,6](C[3,6]C[6,6a]O[3]H)(C[6]C[6]CH)(O[3]C[3,6])(CH3){1|H<1>,3|C<3>}	C(N[3,6]C[3,6]C[6]O[3])(H)3	O[3](C[3,6]C[6,6a]N[3,6]H)(N[3,6]C[3,6]C[6]C){1|H<1>,2|C<3>,2|C<4>}	111.8450	0.000	1	111.8450	0.000	1	111.8450	0.000	1	111.8450	0.000	1	111.8450	0.000	1	109.3539	1.989	7
234	490	962	0:SP3_SP3_SP3	N[3]	C	O[3]	5:2:4:4:	4:1:1:1:	5:4:	Si[3]-5:O[3]-2:C-4:C-4:	N[3]-4:H-1:H-1:H-1:	Si[3]-5:N[3]-4:	N[3](Si[3]O[3]F3)(O[3]Si[3])(CH3)2	C(N[3]Si[3]O[3]C)(H)3	O[3](Si[3]N[3]F3)(N[3]Si[3]CC)	N[3](Si[3]O[3]F3)(O[3]Si[3])(CH3)2	C(N[3]Si[3]O[3]C)(H)3	O[3](Si[3]N[3]F3)(N[3]Si[3]CC)	108.0105	0.664	2	108.0105	0.441	2	108.0105	0.441	2	108.0105	0.441	2	108.9387	0.938	6	109.3539	1.989	7
234	490	962	0:SP3_SP3_SP3	N[3]	C	O[3]	7:2:4:4:	4:1:1:1:	7:4:	Nb[3,3]-7:O[3]-2:C-4:C-4:	N[3]-4:H-1:H-1:H-1:	Nb[3,3]-7:N[3]-4:	N[3](Nb[3,3]N[3]O[3]2N3)(O[3]Nb[3,3])(CH3)2	C(N[3]Nb[3,3]O[3]C)(H)3	O[3](Nb[3,3]N[3]2O[3]N3)(N[3]Nb[3,3]CC)	N[3](Nb[3,3]N[3]O[3]2N3)(O[3]Nb[3,3])(CH3)2{2|C<4>}	C(N[3]Nb[3,3]O[3]C)(H)3	O[3](Nb[3,3]N[3]2O[3]N3)(N[3]Nb[3,3]CC){2|C<4>}	109.4027	0.745	4	109.4027	0.555	4	109.4027	0.555	4	109.4027	0.555	4	108.9387	0.938	6	109.3539	1.989	7
234	490	968	0:SP3_SP-NON_SP3	N[3]	C	H[3]	5:2:4:1:	4:1:1:1:	5:4:	C[3]-5:H[3]-2:C-4:H-1:	N[3]-4:H-1:H-1:H-1:	C[3]-5:N[3]-4:	N[3](C[3]H[3]H3)(H[3]C[3])(CH3)(H)	C(N[3]C[3]H[3]H)(H)3	H[3](C[3]N[3]H3)(N[3]C[3]CH)	N[3](C[3]H[3]H3)(H[3]C[3])(CH3)(H)	C(N[3]C[3]H[3]H)(H)3	H[3](C[3]N[3]H3)(N[3]C[3]CH)	109.7190	0.000	1	109.7190	0.000	1	109.7190	0.000	1	109.7190	0.000	1	109.7190	0.000	1	109.7190	0.000	1
234	654	878	0:SP3_SP-NON_SP3	N[3,4]	B[3,3]	Ga[4]	5:4:4:4:	5:4:3:3:	4:4:1:1:	Ga[3,3,4]-5:B[3,3]-4:Ga[4]-4:C-4:	Ga[3,3,4]-5:N[3,4]-4:N[3]-3:C[6a]-3:	N[3,4]-4:N[4]-4:Cl-1:Cl-1:	N[3,4](Ga[3,3,4]B[3,3]N[3]N[4]Cl)(B[3,3]Ga[3,3,4]C[6a]N[3])(Ga[4]N[4]Cl2)(CC3)	B[3,3](Ga[3,3,4]N[3,4]N[3]N[4]Cl)(N[3,4]Ga[3,3,4]Ga[4]C)(N[3]Ga[3,3,4]C)(C[6a]C[6a]2)	Ga[4](N[3,4]Ga[3,3,4]B[3,3]C)(N[4]Ga[3,3,4]CH)(Cl)2	N[3,4](Ga[3,3,4]B[3,3]N[3]N[4]Cl)(B[3,3]Ga[3,3,4]C[6a]N[3])(Ga[4]N[4]Cl2)(CC3){1|H<1>,2|C<3>,2|C<4>}	B[3,3](Ga[3,3,4]N[3,4]N[3]N[4]Cl)(N[3,4]Ga[3,3,4]Ga[4]C)(N[3]Ga[3,3,4]C)(C[6a]C[6a]2){2|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	Ga[4](N[3,4]Ga[3,3,4]B[3,3]C)(N[4]Ga[3,3,4]CH)(Cl)2{1|Cl<1>,1|C<3>,1|N<3>}	110.6720	0.000	1	110.6720	0.000	1	110.6720	0.000	1	110.6720	0.000	1	110.6720	0.000	1	110.6720	0.000	1
234	778	951	0:SP3_SP-NON_SPD5	N[3]	C[3]	H	5:2:4:1:	4:2:1:1:1:	4:	C[3]-5:H[3]-2:C-4:H-1:	N[3]-4:H[3]-2:H-1:H-1:H-1:	N[3]-4:	N[3](C[3]H[3]H3)(H[3]C[3])(CH3)(H)	C[3](N[3]H[3]CH)(H[3]N[3])(H)3	H(N[3]C[3]H[3]C)	N[3](C[3]H[3]H3)(H[3]C[3])(CH3)(H)	C[3](N[3]H[3]CH)(H[3]N[3])(H)3	H(N[3]C[3]H[3]C)	137.5940	0.000	1	137.5940	0.000	1	137.5940	0.000	1	137.5940	0.000	1	137.5940	0.000	1	137.5940	0.000	1
234	778	968	0:SP3_SP-NON_SPD5	N[3]	C[3]	H[3]	5:2:4:1:	4:2:1:1:1:	5:4:	C[3]-5:H[3]-2:C-4:H-1:	N[3]-4:H[3]-2:H-1:H-1:H-1:	C[3]-5:N[3]-4:	N[3](C[3]H[3]H3)(H[3]C[3])(CH3)(H)	C[3](N[3]H[3]CH)(H[3]N[3])(H)3	H[3](C[3]N[3]H3)(N[3]C[3]CH)	N[3](C[3]H[3]H3)(H[3]C[3])(CH3)(H)	C[3](N[3]H[3]CH)(H[3]N[3])(H)3	H[3](C[3]N[3]H3)(N[3]C[3]CH)	49.5432	0.000	1	49.5432	0.000	1	49.5432	0.000	1	49.5432	0.000	1	49.5432	0.000	1	49.5432	0.000	1
234	863	962	0:SP3_SP2_SP3	N[3,3]	O	O[3]	4:3:2:1:	4:	4:4:	N[3,3]-4:O[3]-3:O[3]-2:O-1:	N[3,3]-4:	N[3,3]-4:N[3,3]-4:	N[3,3](N[3,3]O[3]2O)(O[3]N[3,3]Mn)(O[3]N[3,3])(O)	O(N[3,3]N[3,3]O[3]2)	O[3](N[3,3]N[3,3]O[3]O)2	N[3,3](N[3,3]O[3]2O)(O[3]N[3,3]Mn)(O[3]N[3,3])(O)	O(N[3,3]N[3,3]O[3]2)	O[3](N[3,3]N[3,3]O[3]O)2{1|Mn<6>}	122.1990	0.000	1	122.1990	0.000	1	122.1990	0.000	1	122.1990	0.000	1	122.1990	0.000	1	122.1990	0.000	1
234	864	902	3:SP3_SP2_SP3	N[3,3]	S[3x3]	C[3]	4:4:3:1:	4:4:3:3:	4:4:1:	N[3,3]-4:S[3x3]-4:C[3]-3:H-1:	N[3,3]-4:N[3,3]-4:C[3]-3:C[3]-3:	N[3,3]-4:S[3x3]-4:H-1:	N[3,3](N[3,3]S[3x3]C[3]H)(S[3x3]N[3,3]C[3]2)(C[3]S[3x3]H)(H)	S[3x3](N[3,3]N[3,3]C[3]H)2(C[3]N[3,3]H)2	C[3](N[3,3]N[3,3]S[3x3]H)(S[3x3]N[3,3]2C[3])(H)	N[3,3](N[3,3]S[3x3]C[3]H)(S[3x3]N[3,3]C[3]2)(C[3]S[3x3]H)(H){1|H<1>}	S[3x3](N[3,3]N[3,3]C[3]H)2(C[3]N[3,3]H)2	C[3](N[3,3]N[3,3]S[3x3]H)(S[3x3]N[3,3]2C[3])(H){2|H<1>}	44.1733	0.000	1	44.1733	0.000	1	44.1733	0.000	1	44.1733	0.000	1	44.1733	0.000	1	44.1733	0.000	1
234	864	951	0:SP3_SP-NON_SP3	N[3,3]	S[3x3]	H	4:4:3:1:	4:4:3:3:	4:	N[3,3]-4:S[3x3]-4:C[3]-3:H-1:	N[3,3]-4:N[3,3]-4:C[3]-3:C[3]-3:	N[3,3]-4:	N[3,3](N[3,3]S[3x3]C[3]H)(S[3x3]N[3,3]C[3]2)(C[3]S[3x3]H)(H)	S[3x3](N[3,3]N[3,3]C[3]H)2(C[3]N[3,3]H)2	H(N[3,3]N[3,3]S[3x3]C[3])	N[3,3](N[3,3]S[3x3]C[3]H)(S[3x3]N[3,3]C[3]2)(C[3]S[3x3]H)(H){1|H<1>}	S[3x3](N[3,3]N[3,3]C[3]H)2(C[3]N[3,3]H)2	H(N[3,3]N[3,3]S[3x3]C[3])	174.5770	0.000	1	174.5770	0.000	1	174.5770	0.000	1	174.5770	0.000	1	174.5770	0.000	1	174.5770	0.000	1
234	881	962	3:SP3_SP3_SPD5	N[3]	Si[3]	O[3]	5:2:4:4:	4:2:1:1:1:	5:4:	Si[3]-5:O[3]-2:C-4:C-4:	N[3]-4:O[3]-2:F-1:F-1:F-1:	Si[3]-5:N[3]-4:	N[3](Si[3]O[3]F3)(O[3]Si[3])(CH3)2	Si[3](N[3]O[3]CC)(O[3]N[3])(F)3	O[3](Si[3]N[3]F3)(N[3]Si[3]CC)	N[3](Si[3]O[3]F3)(O[3]Si[3])(CH3)2	Si[3](N[3]O[3]CC)(O[3]N[3])(F)3	O[3](Si[3]N[3]F3)(N[3]Si[3]CC)	54.4544	0.000	1	54.4544	0.000	1	54.4544	0.000	1	54.4544	0.000	1	54.4544	0.000	1	54.4544	0.000	1
234	899	962	0:SP3_SP-NON_SP3	N[3]	C	O[3]	2:2:2:1:	4:	4:2:	C[3]-2:O[3]-2:C-2:C-1:	N[3]-4:	N[3]-4:C[3]-2:	N[3](C[3]O[3])(O[3]C[3])(CO)(C)	C(N[3]C[3]O[3]C)	O[3](N[3]C[3]CC)(C[3]N[3])	N[3](C[3]O[3])(O[3]C[3])(CO)(C)	C(N[3]C[3]O[3]C)	O[3](N[3]C[3]CC)(C[3]N[3])	115.1720	0.000	1	115.1720	0.000	1	115.1720	0.000	1	115.1720	0.000	1	115.1720	0.000	1	115.1720	0.000	1
234	899	983	0:SP3_SP-NON_SP1	N[3]	C	C	2:2:2:1:	4:	4:1:	C[3]-2:O[3]-2:C-2:C-1:	N[3]-4:	N[3]-4:O-1:	N[3](C[3]O[3])(O[3]C[3])(CO)(C)	C(N[3]C[3]O[3]C)	C(N[3]C[3]O[3]C)(O)	N[3](C[3]O[3])(O[3]C[3])(CO)(C)	C(N[3]C[3]O[3]C)	C(N[3]C[3]O[3]C)(O)	105.0840	0.000	1	105.0840	0.000	1	105.0840	0.000	1	105.0840	0.000	1	105.0840	0.000	1	105.0840	0.000	1
234	902	951	0:SP3_SP-NON_SP2	N[3,3]	C[3]	H	4:4:3:1:	4:4:1:	4:	N[3,3]-4:S[3x3]-4:C[3]-3:H-1:	N[3,3]-4:S[3x3]-4:H-1:	N[3,3]-4:	N[3,3](N[3,3]S[3x3]C[3]H)(S[3x3]N[3,3]C[3]2)(C[3]S[3x3]H)(H)	C[3](N[3,3]N[3,3]S[3x3]H)(S[3x3]N[3,3]2C[3])(H)	H(N[3,3]N[3,3]S[3x3]C[3])	N[3,3](N[3,3]S[3x3]C[3]H)(S[3x3]N[3,3]C[3]2)(C[3]S[3x3]H)(H){1|H<1>}	C[3](N[3,3]N[3,3]S[3x3]H)(S[3x3]N[3,3]2C[3])(H){2|H<1>}	H(N[3,3]N[3,3]S[3x3]C[3])	130.4630	0.000	1	130.4630	0.000	1	130.4630	0.000	1	130.4630	0.000	1	130.4630	0.000	1	130.4630	0.000	1
234	951	952	0:SP3_SP-NON_SP3	N[3]	H	S	4:4:2:1:	4:	4:3:1:1:	C[3]-4:S-4:O[3]-2:H-1:	N[3]-4:	N[3]-4:C[6a]-3:O-1:O-1:	N[3](C[3]C[6a]O[3]H)(SC[6a]OO)(O[3]C[3])(H)	H(N[3]C[3]O[3]S)	S(N[3]C[3]O[3]H)(C[6a]C[6a]2)(O)2	N[3](C[3]C[6a]O[3]H)(SC[6a]OO)(O[3]C[3])(H){2|C<3>}	H(N[3]C[3]O[3]S)	S(N[3]C[3]O[3]H)(C[6a]C[6a]2)(O)2	120.3365	0.209	2	120.3365	0.044	2	120.3365	0.044	2	120.3365	0.044	2	120.3365	0.044	2	120.3365	0.044	2
234	951	962	0:SP3_SP-NON_SP3	N[3]	H	O[3]	4:4:2:1:	4:	4:4:	C[3]-4:S-4:O[3]-2:H-1:	N[3]-4:	C[3]-4:N[3]-4:	N[3](C[3]C[6a]O[3]H)(SC[6a]OO)(O[3]C[3])(H)	H(N[3]C[3]O[3]S)	O[3](C[3]C[6a]N[3]H)(N[3]C[3]HS)	N[3](C[3]C[6a]O[3]H)(SC[6a]OO)(O[3]C[3])(H){2|C<3>}	H(N[3]C[3]O[3]S)	O[3](C[3]C[6a]N[3]H)(N[3]C[3]HS){2|C<3>}	120.3670	0.221	2	120.3670	0.049	2	120.3670	0.049	2	120.3670	0.049	2	120.3670	0.049	2	120.3670	0.049	2
234	951	968	0:SP3_SP-NON_SP-NON	N[3]	H	H[3]	5:2:4:1:	4:	5:4:	C[3]-5:H[3]-2:C-4:H-1:	N[3]-4:	C[3]-5:N[3]-4:	N[3](C[3]H[3]H3)(H[3]C[3])(CH3)(H)	H(N[3]C[3]H[3]C)	H[3](C[3]N[3]H3)(N[3]C[3]CH)	N[3](C[3]H[3]H3)(H[3]C[3])(CH3)(H)	H(N[3]C[3]H[3]C)	H[3](C[3]N[3]H3)(N[3]C[3]CH)	108.2090	0.000	1	108.2090	0.000	1	108.2090	0.000	1	108.2090	0.000	1	108.2090	0.000	1	108.2090	0.000	1
234	952	962	0:SP3_SP3_SP3	N[3]	S	O[3]	4:4:2:1:	4:3:1:1:	4:4:	C[3]-4:S-4:O[3]-2:H-1:	N[3]-4:C[6a]-3:O-1:O-1:	C[3]-4:N[3]-4:	N[3](C[3]C[6a]O[3]H)(SC[6a]OO)(O[3]C[3])(H)	S(N[3]C[3]O[3]H)(C[6a]C[6a]2)(O)2	O[3](C[3]C[6a]N[3]H)(N[3]C[3]HS)	N[3](C[3]C[6a]O[3]H)(SC[6a]OO)(O[3]C[3])(H){2|C<3>}	S(N[3]C[3]O[3]H)(C[6a]C[6a]2)(O)2	O[3](C[3]C[6a]N[3]H)(N[3]C[3]HS){2|C<3>}	108.9200	0.188	2	108.9200	0.035	2	108.9200	0.035	2	108.9200	0.035	2	108.9200	0.035	2	108.9200	0.035	2
234	962	962	3:SP3_SP3_SP3	N[3,6,6]	O[3]	O[3]	4:4:2:2:	4:2:	4:2:	C[3x6]-4:C[3x6]-4:O[3]-2:O[3]-2:	N[3,6,6]-4:O[3]-2:	N[3,6,6]-4:O[3]-2:	N[3,6,6](C[3x6]C[6,6]2C)2(O[3]O[3])2	O[3](N[3,6,6]C[3x6]2O[3])(O[3]N[3,6,6])	O[3](N[3,6,6]C[3x6]2O[3])(O[3]N[3,6,6])	N[3,6,6](C[3x6]C[6,6]2C)2(O[3]O[3])2{2|C<4>,8|H<1>}	O[3](N[3,6,6]C[3x6]2O[3])(O[3]N[3,6,6]){6|C<4>}	O[3](N[3,6,6]C[3x6]2O[3])(O[3]N[3,6,6]){6|C<4>}	42.3122	0.000	1	42.3122	0.000	1	42.3122	0.000	1	42.3122	0.000	1	42.3122	0.000	1	46.4453	34.165	2
234	962	962	3:SP3_SP3_SP3	N[3]	O[3]	O[3]	2:2:2:2:	4:2:	4:2:	O[3]-2:O[3]-2:O-2:O-2:	N[3]-4:O[3]-2:	N[3]-4:O[3]-2:	N[3](O[3]O[3])2(ONi)2	O[3](N[3]O[3]OO)(O[3]N[3])	O[3](N[3]O[3]OO)(O[3]N[3])	N[3](O[3]O[3])2(ONi)2	O[3](N[3]O[3]OO)(O[3]N[3])	O[3](N[3]O[3]OO)(O[3]N[3])	50.5784	0.000	1	50.5784	0.000	1	50.5784	0.000	1	50.5784	0.000	1	50.5784	0.000	1	46.4453	34.165	2
234	962	983	0:SP3_SP1_SP3	N[3]	O[3]	C	2:2:2:1:	4:2:	4:1:	C[3]-2:O[3]-2:C-2:C-1:	N[3]-4:C[3]-2:	N[3]-4:O-1:	N[3](C[3]O[3])(O[3]C[3])(CO)(C)	O[3](N[3]C[3]CC)(C[3]N[3])	C(N[3]C[3]O[3]C)(O)	N[3](C[3]O[3])(O[3]C[3])(CO)(C)	O[3](N[3]C[3]CC)(C[3]N[3])	C(N[3]C[3]O[3]C)(O)	117.6820	0.000	1	117.6820	0.000	1	117.6820	0.000	1	117.6820	0.000	1	117.6820	0.000	1	117.6820	0.000	1
238	114	238	0:SPD7_SPD7_SPD8	C[4x3,4,4]	C[5x3]	C[3,3,3x4]	7:8:7:7:5:4:3:	7:7:5:3:2:2:1:1:	7:7:3:2:2:1:1:	C[3,3,3x4]-7:C[5x3]-8:C[4x3]-7:C[4x3]-7:C[3x3]-5:C[3x4]-4:C[6a]-3:	C[4x3,4,4]-7:C[4x3]-7:C[3x3]-5:H[3,3]-3:H[3]-2:H[3]-2:H-1:H-1:	C[4x3,4,4]-7:C[4x3]-7:H[3,4,4]-3:H[3]-2:H[4,4]-2:H-1:H-1:	C[4x3,4,4](C[3,3,3x4]H[3,4,4]C[4x3]H[4,4]H[3]HH)(C[5x3]C[3x3]C[4x3]H[3,3]H[3]2HH)(C[4x3]C[3,3,3x4]C[4x3]H[3]2HH)(C[4x3]C[4x3]C[5x3]H[3]2HH)(C[3x3]C[5x3]H[3,3]H[3]H)(C[3x4]H[3,4,4]H[4,4]H)(C[6a]C[6a]2)	C[5x3](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]2C[6a])(C[4x3]C[4x3,4,4]C[4x3]H[3]2HH)(C[3x3]C[4x3,4,4]H[3,3]H[3]H)(H[3,3]C[3x3]H[3])(H[3]C[3x3])(H[3]H[3,3])(H)2	C[3,3,3x4](C[4x3,4,4]C[3x3]C[3x4]C[4x3]2C[5x3]C[6a])(C[4x3]C[4x3,4,4]C[4x3]H[3]2HH)(H[3,4,4]C[3x4]H[3])(H[3]H[3,4,4])(H[4,4]C[3x4])(H)2	C[4x3,4,4](C[3,3,3x4]H[3,4,4]C[4x3]H[4,4]H[3]HH)(C[5x3]C[3x3]C[4x3]H[3,3]H[3]2HH)(C[4x3]C[3,3,3x4]C[4x3]H[3]2HH)(C[4x3]C[4x3]C[5x3]H[3]2HH)(C[3x3]C[5x3]H[3,3]H[3]H)(C[3x4]H[3,4,4]H[4,4]H)(C[6a]C[6a]2){2|C<3>,2|H<1>}	C[5x3](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]2C[6a])(C[4x3]C[4x3,4,4]C[4x3]H[3]2HH)(C[3x3]C[4x3,4,4]H[3,3]H[3]H)(H[3,3]C[3x3]H[3])(H[3]C[3x3])(H[3]H[3,3])(H)2{1|H<3>,2|C<3>,2|H<2>,5|H<1>}	C[3,3,3x4](C[4x3,4,4]C[3x3]C[3x4]C[4x3]2C[5x3]C[6a])(C[4x3]C[4x3,4,4]C[4x3]H[3]2HH)(H[3,4,4]C[3x4]H[3])(H[3]H[3,4,4])(H[4,4]C[3x4])(H)2{1|H<3>,2|C<3>,2|H<2>,6|H<1>}	125.3390	0.000	1	125.3390	0.000	1	125.3390	0.000	1	125.3390	0.000	1	125.3390	0.000	1	117.7113	162.938	6
238	114	238	0:SPD7_SPD7_SPD8	C[4x3,4,4]	C[5x3]	C[4x3]	7:8:7:7:5:4:3:	7:7:5:3:2:2:1:1:	7:7:7:2:2:1:1:	C[3,3,3x4]-7:C[5x3]-8:C[4x3]-7:C[4x3]-7:C[3x3]-5:C[3x4]-4:C[6a]-3:	C[4x3,4,4]-7:C[4x3]-7:C[3x3]-5:H[3,3]-3:H[3]-2:H[3]-2:H-1:H-1:	C[4x3,4,4]-7:C[3,3,3x4]-7:C[4x3]-7:H[3]-2:H[3]-2:H-1:H-1:	C[4x3,4,4](C[3,3,3x4]H[3,4,4]C[4x3]H[4,4]H[3]HH)(C[5x3]C[3x3]C[4x3]H[3,3]H[3]2HH)(C[4x3]C[3,3,3x4]C[4x3]H[3]2HH)(C[4x3]C[4x3]C[5x3]H[3]2HH)(C[3x3]C[5x3]H[3,3]H[3]H)(C[3x4]H[3,4,4]H[4,4]H)(C[6a]C[6a]2)	C[5x3](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]2C[6a])(C[4x3]C[4x3,4,4]C[4x3]H[3]2HH)(C[3x3]C[4x3,4,4]H[3,3]H[3]H)(H[3,3]C[3x3]H[3])(H[3]C[3x3])(H[3]H[3,3])(H)2	C[4x3](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]C[5x3]C[6a])(C[3,3,3x4]C[4x3,4,4]H[3,4,4]H[4,4]H[3]HH)(C[4x3]C[4x3,4,4]C[5x3]H[3]2HH)(H[3]C[4x3])2(H)2	C[4x3,4,4](C[3,3,3x4]H[3,4,4]C[4x3]H[4,4]H[3]HH)(C[5x3]C[3x3]C[4x3]H[3,3]H[3]2HH)(C[4x3]C[3,3,3x4]C[4x3]H[3]2HH)(C[4x3]C[4x3]C[5x3]H[3]2HH)(C[3x3]C[5x3]H[3,3]H[3]H)(C[3x4]H[3,4,4]H[4,4]H)(C[6a]C[6a]2){2|C<3>,2|H<1>}	C[5x3](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]2C[6a])(C[4x3]C[4x3,4,4]C[4x3]H[3]2HH)(C[3x3]C[4x3,4,4]H[3,3]H[3]H)(H[3,3]C[3x3]H[3])(H[3]C[3x3])(H[3]H[3,3])(H)2{1|H<3>,2|C<3>,2|H<2>,5|H<1>}	C[4x3](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]C[5x3]C[6a])(C[3,3,3x4]C[4x3,4,4]H[3,4,4]H[4,4]H[3]HH)(C[4x3]C[4x3,4,4]C[5x3]H[3]2HH)(H[3]C[4x3])2(H)2{1|H<3>,2|C<3>,2|H<2>,4|H<1>}	108.5760	0.000	1	108.5760	0.000	1	108.5760	0.000	1	108.5760	0.000	1	108.5760	0.000	1	117.7113	162.938	6
238	114	238	0:SPD7_SPD7_SPD8	C[4x3]	C[5x3]	C[4x3]	7:8:7:2:2:1:1:	7:7:5:3:2:2:1:1:	7:7:7:2:2:1:1:	C[4x3,4,4]-7:C[5x3]-8:C[4x3]-7:H[3]-2:H[3]-2:H-1:H-1:	C[4x3,4,4]-7:C[4x3]-7:C[3x3]-5:H[3,3]-3:H[3]-2:H[3]-2:H-1:H-1:	C[4x3,4,4]-7:C[3,3,3x4]-7:C[4x3]-7:H[3]-2:H[3]-2:H-1:H-1:	C[4x3](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]C[5x3]C[6a])(C[5x3]C[4x3,4,4]C[3x3]H[3,3]H[3]2HH)(C[4x3]C[3,3,3x4]C[4x3,4,4]H[3]2HH)(H[3]C[4x3])2(H)2	C[5x3](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]2C[6a])(C[4x3]C[4x3,4,4]C[4x3]H[3]2HH)(C[3x3]C[4x3,4,4]H[3,3]H[3]H)(H[3,3]C[3x3]H[3])(H[3]C[3x3])(H[3]H[3,3])(H)2	C[4x3](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]C[5x3]C[6a])(C[3,3,3x4]C[4x3,4,4]H[3,4,4]H[4,4]H[3]HH)(C[4x3]C[4x3,4,4]C[5x3]H[3]2HH)(H[3]C[4x3])2(H)2	C[4x3](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]C[5x3]C[6a])(C[5x3]C[4x3,4,4]C[3x3]H[3,3]H[3]2HH)(C[4x3]C[3,3,3x4]C[4x3,4,4]H[3]2HH)(H[3]C[4x3])2(H)2{1|H<3>,2|C<3>,2|H<2>,4|H<1>}	C[5x3](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]2C[6a])(C[4x3]C[4x3,4,4]C[4x3]H[3]2HH)(C[3x3]C[4x3,4,4]H[3,3]H[3]H)(H[3,3]C[3x3]H[3])(H[3]C[3x3])(H[3]H[3,3])(H)2{1|H<3>,2|C<3>,2|H<2>,5|H<1>}	C[4x3](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]C[5x3]C[6a])(C[3,3,3x4]C[4x3,4,4]H[3,4,4]H[4,4]H[3]HH)(C[4x3]C[4x3,4,4]C[5x3]H[3]2HH)(H[3]C[4x3])2(H)2{1|H<3>,2|C<3>,2|H<2>,4|H<1>}	114.2460	0.000	1	114.2460	0.000	1	114.2460	0.000	1	114.2460	0.000	1	114.2460	0.000	1	117.7113	162.938	6
238	114	238	0:SPD7_SPD7_SPD8	C[6x3]	C[5x3,6]	C[3x3,6]	8:6:7:7:6:7:3:	6:7:6:3:2:2:1:1:	7:7:6:2:1:1:1:	C[5x3,6]-8:C[3x3,6]-6:C[4x3,6]-7:C[4x3,6]-7:C[4x3,6]-6:C[3x3,6]-7:C[6a]-3:	C[3x3,6]-6:C[6x3]-7:C[4x3,6]-6:H[3,3]-3:H[3]-2:H[3]-2:H-1:H-1:	C[6x3]-7:C[4x3,6]-7:C[4x3,6]-6:H[3]-2:H-1:H-1:H-1:	C[6x3](C[5x3,6]C[3x3,6]C[4x3,6]H[3,3]H[3]2HH)(C[3x3,6]C[4x3,6]C[5x3,6]H[3,3]HH)(C[4x3,6]C[3x3,6]C[4x3,6]H[3]2HH)2(C[4x3,6]C[3x3,6]C[5x3,6]H[3]2H)(C[3x3,6]C[4x3,6]2H[3]H3)(C[6a]C[6a]2)	C[5x3,6](C[3x3,6]C[4x3,6]C[6x3]H[3,3]HH)(C[6x3]C[3x3,6]2C[4x3,6]3C[6a])(C[4x3,6]C[3x3,6]C[6x3]H[3]2H)(H[3,3]C[3x3,6]H[3])(H[3]C[4x3,6])(H[3]H[3,3])(H)2	C[3x3,6](C[6x3]C[3x3,6]C[4x3,6]3C[5x3,6]C[6a])(C[4x3,6]C[4x3,6]C[6x3]H[3]2HH)(C[4x3,6]C[5x3,6]C[6x3]H[3]2H)(H[3]C[4x3,6])(H)3	C[6x3](C[5x3,6]C[3x3,6]C[4x3,6]H[3,3]H[3]2HH)(C[3x3,6]C[4x3,6]C[5x3,6]H[3,3]HH)(C[4x3,6]C[3x3,6]C[4x3,6]H[3]2HH)2(C[4x3,6]C[3x3,6]C[5x3,6]H[3]2H)(C[3x3,6]C[4x3,6]2H[3]H3)(C[6a]C[6a]2){2|C<3>,2|H<1>}	C[5x3,6](C[3x3,6]C[4x3,6]C[6x3]H[3,3]HH)(C[6x3]C[3x3,6]2C[4x3,6]3C[6a])(C[4x3,6]C[3x3,6]C[6x3]H[3]2H)(H[3,3]C[3x3,6]H[3])(H[3]C[4x3,6])(H[3]H[3,3])(H)2{2|C<3>,2|H<2>,7|H<1>}	C[3x3,6](C[6x3]C[3x3,6]C[4x3,6]3C[5x3,6]C[6a])(C[4x3,6]C[4x3,6]C[6x3]H[3]2HH)(C[4x3,6]C[5x3,6]C[6x3]H[3]2H)(H[3]C[4x3,6])(H)3{1|H<2>,1|H<3>,2|C<3>,6|H<1>}	101.2800	0.000	1	101.2800	0.000	1	101.2800	0.000	1	101.2800	0.000	1	101.2800	0.000	1	117.7113	162.938	6
238	114	238	0:SPD7_SPD7_SPD8	C[6x3]	C[5x3,6]	C[4x3,6]	8:6:7:7:6:7:3:	6:7:6:3:2:2:1:1:	7:6:7:2:2:1:1:	C[5x3,6]-8:C[3x3,6]-6:C[4x3,6]-7:C[4x3,6]-7:C[4x3,6]-6:C[3x3,6]-7:C[6a]-3:	C[3x3,6]-6:C[6x3]-7:C[4x3,6]-6:H[3,3]-3:H[3]-2:H[3]-2:H-1:H-1:	C[6x3]-7:C[3x3,6]-6:C[4x3,6]-7:H[3]-2:H[3]-2:H-1:H-1:	C[6x3](C[5x3,6]C[3x3,6]C[4x3,6]H[3,3]H[3]2HH)(C[3x3,6]C[4x3,6]C[5x3,6]H[3,3]HH)(C[4x3,6]C[3x3,6]C[4x3,6]H[3]2HH)2(C[4x3,6]C[3x3,6]C[5x3,6]H[3]2H)(C[3x3,6]C[4x3,6]2H[3]H3)(C[6a]C[6a]2)	C[5x3,6](C[3x3,6]C[4x3,6]C[6x3]H[3,3]HH)(C[6x3]C[3x3,6]2C[4x3,6]3C[6a])(C[4x3,6]C[3x3,6]C[6x3]H[3]2H)(H[3,3]C[3x3,6]H[3])(H[3]C[4x3,6])(H[3]H[3,3])(H)2	C[4x3,6](C[6x3]C[3x3,6]2C[4x3,6]2C[5x3,6]C[6a])(C[3x3,6]C[5x3,6]C[6x3]H[3,3]HH)(C[4x3,6]C[3x3,6]C[6x3]H[3]2HH)(H[3]C[4x3,6])2(H)2	C[6x3](C[5x3,6]C[3x3,6]C[4x3,6]H[3,3]H[3]2HH)(C[3x3,6]C[4x3,6]C[5x3,6]H[3,3]HH)(C[4x3,6]C[3x3,6]C[4x3,6]H[3]2HH)2(C[4x3,6]C[3x3,6]C[5x3,6]H[3]2H)(C[3x3,6]C[4x3,6]2H[3]H3)(C[6a]C[6a]2){2|C<3>,2|H<1>}	C[5x3,6](C[3x3,6]C[4x3,6]C[6x3]H[3,3]HH)(C[6x3]C[3x3,6]2C[4x3,6]3C[6a])(C[4x3,6]C[3x3,6]C[6x3]H[3]2H)(H[3,3]C[3x3,6]H[3])(H[3]C[4x3,6])(H[3]H[3,3])(H)2{2|C<3>,2|H<2>,7|H<1>}	C[4x3,6](C[6x3]C[3x3,6]2C[4x3,6]2C[5x3,6]C[6a])(C[3x3,6]C[5x3,6]C[6x3]H[3,3]HH)(C[4x3,6]C[3x3,6]C[6x3]H[3]2HH)(H[3]C[4x3,6])2(H)2{2|C<3>,3|H<2>,6|H<1>}	119.4140	0.000	1	119.4140	0.000	1	119.4140	0.000	1	119.4140	0.000	1	128.4135	161.982	2	117.7113	162.938	6
238	114	238	0:SPD7_SPD7_SPD8	C[6x3]	C[5x3,6]	C[4x3,6]	8:6:7:7:6:7:3:	6:7:6:3:2:2:1:1:	7:7:7:2:2:1:1:	C[5x3,6]-8:C[3x3,6]-6:C[4x3,6]-7:C[4x3,6]-7:C[4x3,6]-6:C[3x3,6]-7:C[6a]-3:	C[3x3,6]-6:C[6x3]-7:C[4x3,6]-6:H[3,3]-3:H[3]-2:H[3]-2:H-1:H-1:	C[6x3]-7:C[4x3,6]-7:C[3x3,6]-7:H[3]-2:H[3]-2:H-1:H-1:	C[6x3](C[5x3,6]C[3x3,6]C[4x3,6]H[3,3]H[3]2HH)(C[3x3,6]C[4x3,6]C[5x3,6]H[3,3]HH)(C[4x3,6]C[3x3,6]C[4x3,6]H[3]2HH)2(C[4x3,6]C[3x3,6]C[5x3,6]H[3]2H)(C[3x3,6]C[4x3,6]2H[3]H3)(C[6a]C[6a]2)	C[5x3,6](C[3x3,6]C[4x3,6]C[6x3]H[3,3]HH)(C[6x3]C[3x3,6]2C[4x3,6]3C[6a])(C[4x3,6]C[3x3,6]C[6x3]H[3]2H)(H[3,3]C[3x3,6]H[3])(H[3]C[4x3,6])(H[3]H[3,3])(H)2	C[4x3,6](C[6x3]C[3x3,6]2C[4x3,6]2C[5x3,6]C[6a])(C[4x3,6]C[3x3,6]C[6x3]H[3]2HH)(C[3x3,6]C[4x3,6]C[6x3]H[3]H3)(H[3]C[4x3,6])2(H)2	C[6x3](C[5x3,6]C[3x3,6]C[4x3,6]H[3,3]H[3]2HH)(C[3x3,6]C[4x3,6]C[5x3,6]H[3,3]HH)(C[4x3,6]C[3x3,6]C[4x3,6]H[3]2HH)2(C[4x3,6]C[3x3,6]C[5x3,6]H[3]2H)(C[3x3,6]C[4x3,6]2H[3]H3)(C[6a]C[6a]2){2|C<3>,2|H<1>}	C[5x3,6](C[3x3,6]C[4x3,6]C[6x3]H[3,3]HH)(C[6x3]C[3x3,6]2C[4x3,6]3C[6a])(C[4x3,6]C[3x3,6]C[6x3]H[3]2H)(H[3,3]C[3x3,6]H[3])(H[3]C[4x3,6])(H[3]H[3,3])(H)2{2|C<3>,2|H<2>,7|H<1>}	C[4x3,6](C[6x3]C[3x3,6]2C[4x3,6]2C[5x3,6]C[6a])(C[4x3,6]C[3x3,6]C[6x3]H[3]2HH)(C[3x3,6]C[4x3,6]C[6x3]H[3]H3)(H[3]C[4x3,6])2(H)2{1|H<3>,2|C<3>,2|H<2>,5|H<1>}	137.4130	0.000	1	137.4130	0.000	1	137.4130	0.000	1	137.4130	0.000	1	128.4135	161.982	2	117.7113	162.938	6
238	114	238	3:SPD7_SPD7_SPD8	C[4x3,4,4]	C[5x3]	C[4x3]	7:8:7:7:5:4:3:	7:7:5:3:2:2:1:1:	7:8:7:2:2:1:1:	C[3,3,3x4]-7:C[5x3]-8:C[4x3]-7:C[4x3]-7:C[3x3]-5:C[3x4]-4:C[6a]-3:	C[4x3,4,4]-7:C[4x3]-7:C[3x3]-5:H[3,3]-3:H[3]-2:H[3]-2:H-1:H-1:	C[4x3,4,4]-7:C[5x3]-8:C[4x3]-7:H[3]-2:H[3]-2:H-1:H-1:	C[4x3,4,4](C[3,3,3x4]H[3,4,4]C[4x3]H[4,4]H[3]HH)(C[5x3]C[3x3]C[4x3]H[3,3]H[3]2HH)(C[4x3]C[3,3,3x4]C[4x3]H[3]2HH)(C[4x3]C[4x3]C[5x3]H[3]2HH)(C[3x3]C[5x3]H[3,3]H[3]H)(C[3x4]H[3,4,4]H[4,4]H)(C[6a]C[6a]2)	C[5x3](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]2C[6a])(C[4x3]C[4x3,4,4]C[4x3]H[3]2HH)(C[3x3]C[4x3,4,4]H[3,3]H[3]H)(H[3,3]C[3x3]H[3])(H[3]C[3x3])(H[3]H[3,3])(H)2	C[4x3](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]C[5x3]C[6a])(C[5x3]C[4x3,4,4]C[3x3]H[3,3]H[3]2HH)(C[4x3]C[3,3,3x4]C[4x3,4,4]H[3]2HH)(H[3]C[4x3])2(H)2	C[4x3,4,4](C[3,3,3x4]H[3,4,4]C[4x3]H[4,4]H[3]HH)(C[5x3]C[3x3]C[4x3]H[3,3]H[3]2HH)(C[4x3]C[3,3,3x4]C[4x3]H[3]2HH)(C[4x3]C[4x3]C[5x3]H[3]2HH)(C[3x3]C[5x3]H[3,3]H[3]H)(C[3x4]H[3,4,4]H[4,4]H)(C[6a]C[6a]2){2|C<3>,2|H<1>}	C[5x3](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]2C[6a])(C[4x3]C[4x3,4,4]C[4x3]H[3]2HH)(C[3x3]C[4x3,4,4]H[3,3]H[3]H)(H[3,3]C[3x3]H[3])(H[3]C[3x3])(H[3]H[3,3])(H)2{1|H<3>,2|C<3>,2|H<2>,5|H<1>}	C[4x3](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]C[5x3]C[6a])(C[5x3]C[4x3,4,4]C[3x3]H[3,3]H[3]2HH)(C[4x3]C[3,3,3x4]C[4x3,4,4]H[3]2HH)(H[3]C[4x3])2(H)2{1|H<3>,2|C<3>,2|H<2>,4|H<1>}	65.7482	0.000	1	65.7482	0.000	1	65.7482	0.000	1	65.7482	0.000	1	65.7482	0.000	1	59.8791	68.891	2
238	114	238	3:SPD7_SPD7_SPD8	C[4x3]	C[5x3]	C[4x3,4,4]	7:8:7:2:2:1:1:	7:7:5:3:2:2:1:1:	7:8:7:7:5:4:3:	C[4x3,4,4]-7:C[5x3]-8:C[4x3]-7:H[3]-2:H[3]-2:H-1:H-1:	C[4x3,4,4]-7:C[4x3]-7:C[3x3]-5:H[3,3]-3:H[3]-2:H[3]-2:H-1:H-1:	C[3,3,3x4]-7:C[5x3]-8:C[4x3]-7:C[4x3]-7:C[3x3]-5:C[3x4]-4:C[6a]-3:	C[4x3](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]C[5x3]C[6a])(C[5x3]C[4x3,4,4]C[3x3]H[3,3]H[3]2HH)(C[4x3]C[3,3,3x4]C[4x3,4,4]H[3]2HH)(H[3]C[4x3])2(H)2	C[5x3](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]2C[6a])(C[4x3]C[4x3,4,4]C[4x3]H[3]2HH)(C[3x3]C[4x3,4,4]H[3,3]H[3]H)(H[3,3]C[3x3]H[3])(H[3]C[3x3])(H[3]H[3,3])(H)2	C[4x3,4,4](C[3,3,3x4]H[3,4,4]C[4x3]H[4,4]H[3]HH)(C[5x3]C[3x3]C[4x3]H[3,3]H[3]2HH)(C[4x3]C[3,3,3x4]C[4x3]H[3]2HH)(C[4x3]C[4x3]C[5x3]H[3]2HH)(C[3x3]C[5x3]H[3,3]H[3]H)(C[3x4]H[3,4,4]H[4,4]H)(C[6a]C[6a]2)	C[4x3](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]C[5x3]C[6a])(C[5x3]C[4x3,4,4]C[3x3]H[3,3]H[3]2HH)(C[4x3]C[3,3,3x4]C[4x3,4,4]H[3]2HH)(H[3]C[4x3])2(H)2{1|H<3>,2|C<3>,2|H<2>,4|H<1>}	C[5x3](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]2C[6a])(C[4x3]C[4x3,4,4]C[4x3]H[3]2HH)(C[3x3]C[4x3,4,4]H[3,3]H[3]H)(H[3,3]C[3x3]H[3])(H[3]C[3x3])(H[3]H[3,3])(H)2{1|H<3>,2|C<3>,2|H<2>,5|H<1>}	C[4x3,4,4](C[3,3,3x4]H[3,4,4]C[4x3]H[4,4]H[3]HH)(C[5x3]C[3x3]C[4x3]H[3,3]H[3]2HH)(C[4x3]C[3,3,3x4]C[4x3]H[3]2HH)(C[4x3]C[4x3]C[5x3]H[3]2HH)(C[3x3]C[5x3]H[3,3]H[3]H)(C[3x4]H[3,4,4]H[4,4]H)(C[6a]C[6a]2){2|C<3>,2|H<1>}	54.0101	0.000	1	54.0101	0.000	1	54.0101	0.000	1	54.0101	0.000	1	54.0101	0.000	1	59.8791	68.891	2
238	114	362	3:SPD7_SPD6_SPD8	C[6x3]	C[5x3,6]	C[3x3,6]	8:6:7:7:6:7:3:	6:7:6:3:2:2:1:1:	7:8:7:3:1:1:	C[5x3,6]-8:C[3x3,6]-6:C[4x3,6]-7:C[4x3,6]-7:C[4x3,6]-6:C[3x3,6]-7:C[6a]-3:	C[3x3,6]-6:C[6x3]-7:C[4x3,6]-6:H[3,3]-3:H[3]-2:H[3]-2:H-1:H-1:	C[6x3]-7:C[5x3,6]-8:C[4x3,6]-7:H[3,3]-3:H-1:H-1:	C[6x3](C[5x3,6]C[3x3,6]C[4x3,6]H[3,3]H[3]2HH)(C[3x3,6]C[4x3,6]C[5x3,6]H[3,3]HH)(C[4x3,6]C[3x3,6]C[4x3,6]H[3]2HH)2(C[4x3,6]C[3x3,6]C[5x3,6]H[3]2H)(C[3x3,6]C[4x3,6]2H[3]H3)(C[6a]C[6a]2)	C[5x3,6](C[3x3,6]C[4x3,6]C[6x3]H[3,3]HH)(C[6x3]C[3x3,6]2C[4x3,6]3C[6a])(C[4x3,6]C[3x3,6]C[6x3]H[3]2H)(H[3,3]C[3x3,6]H[3])(H[3]C[4x3,6])(H[3]H[3,3])(H)2	C[3x3,6](C[6x3]C[3x3,6]C[4x3,6]3C[5x3,6]C[6a])(C[5x3,6]C[4x3,6]C[6x3]H[3,3]H[3]2HH)(C[4x3,6]C[4x3,6]C[6x3]H[3]2HH)(H[3,3]C[5x3,6]H[3])(H)2	C[6x3](C[5x3,6]C[3x3,6]C[4x3,6]H[3,3]H[3]2HH)(C[3x3,6]C[4x3,6]C[5x3,6]H[3,3]HH)(C[4x3,6]C[3x3,6]C[4x3,6]H[3]2HH)2(C[4x3,6]C[3x3,6]C[5x3,6]H[3]2H)(C[3x3,6]C[4x3,6]2H[3]H3)(C[6a]C[6a]2){2|C<3>,2|H<1>}	C[5x3,6](C[3x3,6]C[4x3,6]C[6x3]H[3,3]HH)(C[6x3]C[3x3,6]2C[4x3,6]3C[6a])(C[4x3,6]C[3x3,6]C[6x3]H[3]2H)(H[3,3]C[3x3,6]H[3])(H[3]C[4x3,6])(H[3]H[3,3])(H)2{2|C<3>,2|H<2>,7|H<1>}	C[3x3,6](C[6x3]C[3x3,6]C[4x3,6]3C[5x3,6]C[6a])(C[5x3,6]C[4x3,6]C[6x3]H[3,3]H[3]2HH)(C[4x3,6]C[4x3,6]C[6x3]H[3]2HH)(H[3,3]C[5x3,6]H[3])(H)2{1|H<2>,2|C<3>,6|H<1>}	57.8671	0.000	1	57.8671	0.000	1	57.8671	0.000	1	57.8671	0.000	1	57.8671	0.000	1	55.5065	11.145	2
238	114	362	3:SPD7_SPD6_SPD8	C[6x3]	C[5x3,6]	C[4x3,6]	8:6:7:7:6:7:3:	6:7:6:3:2:2:1:1:	7:8:7:2:2:1:	C[5x3,6]-8:C[3x3,6]-6:C[4x3,6]-7:C[4x3,6]-7:C[4x3,6]-6:C[3x3,6]-7:C[6a]-3:	C[3x3,6]-6:C[6x3]-7:C[4x3,6]-6:H[3,3]-3:H[3]-2:H[3]-2:H-1:H-1:	C[6x3]-7:C[5x3,6]-8:C[3x3,6]-7:H[3]-2:H[3]-2:H-1:	C[6x3](C[5x3,6]C[3x3,6]C[4x3,6]H[3,3]H[3]2HH)(C[3x3,6]C[4x3,6]C[5x3,6]H[3,3]HH)(C[4x3,6]C[3x3,6]C[4x3,6]H[3]2HH)2(C[4x3,6]C[3x3,6]C[5x3,6]H[3]2H)(C[3x3,6]C[4x3,6]2H[3]H3)(C[6a]C[6a]2)	C[5x3,6](C[3x3,6]C[4x3,6]C[6x3]H[3,3]HH)(C[6x3]C[3x3,6]2C[4x3,6]3C[6a])(C[4x3,6]C[3x3,6]C[6x3]H[3]2H)(H[3,3]C[3x3,6]H[3])(H[3]C[4x3,6])(H[3]H[3,3])(H)2	C[4x3,6](C[6x3]C[3x3,6]2C[4x3,6]2C[5x3,6]C[6a])(C[5x3,6]C[3x3,6]C[6x3]H[3,3]H[3]2HH)(C[3x3,6]C[4x3,6]C[6x3]H[3]H3)(H[3]C[3x3,6])(H[3]C[5x3,6])(H)	C[6x3](C[5x3,6]C[3x3,6]C[4x3,6]H[3,3]H[3]2HH)(C[3x3,6]C[4x3,6]C[5x3,6]H[3,3]HH)(C[4x3,6]C[3x3,6]C[4x3,6]H[3]2HH)2(C[4x3,6]C[3x3,6]C[5x3,6]H[3]2H)(C[3x3,6]C[4x3,6]2H[3]H3)(C[6a]C[6a]2){2|C<3>,2|H<1>}	C[5x3,6](C[3x3,6]C[4x3,6]C[6x3]H[3,3]HH)(C[6x3]C[3x3,6]2C[4x3,6]3C[6a])(C[4x3,6]C[3x3,6]C[6x3]H[3]2H)(H[3,3]C[3x3,6]H[3])(H[3]C[4x3,6])(H[3]H[3,3])(H)2{2|C<3>,2|H<2>,7|H<1>}	C[4x3,6](C[6x3]C[3x3,6]2C[4x3,6]2C[5x3,6]C[6a])(C[5x3,6]C[3x3,6]C[6x3]H[3,3]H[3]2HH)(C[3x3,6]C[4x3,6]C[6x3]H[3]H3)(H[3]C[3x3,6])(H[3]C[5x3,6])(H){2|C<3>,2|H<2>,6|H<1>}	53.1459	0.000	1	53.1459	0.000	1	53.1459	0.000	1	53.1459	0.000	1	53.1459	0.000	1	55.5065	11.145	2
238	114	478	0:SPD7_SP3_SPD8	C[4x3,4,4]	C[5x3]	C[3x4]	7:8:7:7:5:4:3:	7:7:5:3:2:2:1:1:	7:3:2:1:	C[3,3,3x4]-7:C[5x3]-8:C[4x3]-7:C[4x3]-7:C[3x3]-5:C[3x4]-4:C[6a]-3:	C[4x3,4,4]-7:C[4x3]-7:C[3x3]-5:H[3,3]-3:H[3]-2:H[3]-2:H-1:H-1:	C[4x3,4,4]-7:H[3,4,4]-3:H[4,4]-2:H-1:	C[4x3,4,4](C[3,3,3x4]H[3,4,4]C[4x3]H[4,4]H[3]HH)(C[5x3]C[3x3]C[4x3]H[3,3]H[3]2HH)(C[4x3]C[3,3,3x4]C[4x3]H[3]2HH)(C[4x3]C[4x3]C[5x3]H[3]2HH)(C[3x3]C[5x3]H[3,3]H[3]H)(C[3x4]H[3,4,4]H[4,4]H)(C[6a]C[6a]2)	C[5x3](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]2C[6a])(C[4x3]C[4x3,4,4]C[4x3]H[3]2HH)(C[3x3]C[4x3,4,4]H[3,3]H[3]H)(H[3,3]C[3x3]H[3])(H[3]C[3x3])(H[3]H[3,3])(H)2	C[3x4](C[4x3,4,4]C[3,3,3x4]C[3x3]C[4x3]2C[5x3]C[6a])(H[3,4,4]C[3,3,3x4]H[3])(H[4,4]C[3,3,3x4])(H)	C[4x3,4,4](C[3,3,3x4]H[3,4,4]C[4x3]H[4,4]H[3]HH)(C[5x3]C[3x3]C[4x3]H[3,3]H[3]2HH)(C[4x3]C[3,3,3x4]C[4x3]H[3]2HH)(C[4x3]C[4x3]C[5x3]H[3]2HH)(C[3x3]C[5x3]H[3,3]H[3]H)(C[3x4]H[3,4,4]H[4,4]H)(C[6a]C[6a]2){2|C<3>,2|H<1>}	C[5x3](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]2C[6a])(C[4x3]C[4x3,4,4]C[4x3]H[3]2HH)(C[3x3]C[4x3,4,4]H[3,3]H[3]H)(H[3,3]C[3x3]H[3])(H[3]C[3x3])(H[3]H[3,3])(H)2{1|H<3>,2|C<3>,2|H<2>,5|H<1>}	C[3x4](C[4x3,4,4]C[3,3,3x4]C[3x3]C[4x3]2C[5x3]C[6a])(H[3,4,4]C[3,3,3x4]H[3])(H[4,4]C[3,3,3x4])(H){1|H<3>,2|C<3>,4|H<2>,9|H<1>}	111.0340	0.000	1	111.0340	0.000	1	111.0340	0.000	1	111.0340	0.000	1	111.0340	0.000	1	111.0340	0.000	1
238	114	643	0:SPD7_SP2_SPD8	C[4x3,4,4]	C[5x3]	C[6a]	7:8:7:7:5:4:3:	7:7:5:3:2:2:1:1:	7:3:3:	C[3,3,3x4]-7:C[5x3]-8:C[4x3]-7:C[4x3]-7:C[3x3]-5:C[3x4]-4:C[6a]-3:	C[4x3,4,4]-7:C[4x3]-7:C[3x3]-5:H[3,3]-3:H[3]-2:H[3]-2:H-1:H-1:	C[4x3,4,4]-7:C[6a]-3:C[6a]-3:	C[4x3,4,4](C[3,3,3x4]H[3,4,4]C[4x3]H[4,4]H[3]HH)(C[5x3]C[3x3]C[4x3]H[3,3]H[3]2HH)(C[4x3]C[3,3,3x4]C[4x3]H[3]2HH)(C[4x3]C[4x3]C[5x3]H[3]2HH)(C[3x3]C[5x3]H[3,3]H[3]H)(C[3x4]H[3,4,4]H[4,4]H)(C[6a]C[6a]2)	C[5x3](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]2C[6a])(C[4x3]C[4x3,4,4]C[4x3]H[3]2HH)(C[3x3]C[4x3,4,4]H[3,3]H[3]H)(H[3,3]C[3x3]H[3])(H[3]C[3x3])(H[3]H[3,3])(H)2	C[6a](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]2C[5x3])(C[6a]C[6a]H)2	C[4x3,4,4](C[3,3,3x4]H[3,4,4]C[4x3]H[4,4]H[3]HH)(C[5x3]C[3x3]C[4x3]H[3,3]H[3]2HH)(C[4x3]C[3,3,3x4]C[4x3]H[3]2HH)(C[4x3]C[4x3]C[5x3]H[3]2HH)(C[3x3]C[5x3]H[3,3]H[3]H)(C[3x4]H[3,4,4]H[4,4]H)(C[6a]C[6a]2){2|C<3>,2|H<1>}	C[5x3](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]2C[6a])(C[4x3]C[4x3,4,4]C[4x3]H[3]2HH)(C[3x3]C[4x3,4,4]H[3,3]H[3]H)(H[3,3]C[3x3]H[3])(H[3]C[3x3])(H[3]H[3,3])(H)2{1|H<3>,2|C<3>,2|H<2>,5|H<1>}	C[6a](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]2C[5x3])(C[6a]C[6a]H)2{10|H<1>,1|C<3>,2|C<4>,2|H<3>,6|H<2>}	118.3240	0.000	1	118.3240	0.000	1	118.3240	0.000	1	118.3240	0.000	1	118.3240	0.000	1	114.1360	35.079	2
238	114	643	0:SPD7_SP2_SPD8	C[6x3]	C[5x3,6]	C[6a]	8:6:7:7:6:7:3:	6:7:6:3:2:2:1:1:	7:3:3:	C[5x3,6]-8:C[3x3,6]-6:C[4x3,6]-7:C[4x3,6]-7:C[4x3,6]-6:C[3x3,6]-7:C[6a]-3:	C[3x3,6]-6:C[6x3]-7:C[4x3,6]-6:H[3,3]-3:H[3]-2:H[3]-2:H-1:H-1:	C[6x3]-7:C[6a]-3:C[6a]-3:	C[6x3](C[5x3,6]C[3x3,6]C[4x3,6]H[3,3]H[3]2HH)(C[3x3,6]C[4x3,6]C[5x3,6]H[3,3]HH)(C[4x3,6]C[3x3,6]C[4x3,6]H[3]2HH)2(C[4x3,6]C[3x3,6]C[5x3,6]H[3]2H)(C[3x3,6]C[4x3,6]2H[3]H3)(C[6a]C[6a]2)	C[5x3,6](C[3x3,6]C[4x3,6]C[6x3]H[3,3]HH)(C[6x3]C[3x3,6]2C[4x3,6]3C[6a])(C[4x3,6]C[3x3,6]C[6x3]H[3]2H)(H[3,3]C[3x3,6]H[3])(H[3]C[4x3,6])(H[3]H[3,3])(H)2	C[6a](C[6x3]C[3x3,6]2C[4x3,6]3C[5x3,6])(C[6a]C[6a]H)2	C[6x3](C[5x3,6]C[3x3,6]C[4x3,6]H[3,3]H[3]2HH)(C[3x3,6]C[4x3,6]C[5x3,6]H[3,3]HH)(C[4x3,6]C[3x3,6]C[4x3,6]H[3]2HH)2(C[4x3,6]C[3x3,6]C[5x3,6]H[3]2H)(C[3x3,6]C[4x3,6]2H[3]H3)(C[6a]C[6a]2){2|C<3>,2|H<1>}	C[5x3,6](C[3x3,6]C[4x3,6]C[6x3]H[3,3]HH)(C[6x3]C[3x3,6]2C[4x3,6]3C[6a])(C[4x3,6]C[3x3,6]C[6x3]H[3]2H)(H[3,3]C[3x3,6]H[3])(H[3]C[4x3,6])(H[3]H[3,3])(H)2{2|C<3>,2|H<2>,7|H<1>}	C[6a](C[6x3]C[3x3,6]2C[4x3,6]3C[5x3,6])(C[6a]C[6a]H)2{14|H<1>,1|C<3>,1|H<3>,5|H<2>}	109.9480	0.000	1	109.9480	0.000	1	109.9480	0.000	1	109.9480	0.000	1	109.9480	0.000	1	114.1360	35.079	2
238	114	778	3:SPD7_SPD5_SPD8	C[4x3,4,4]	C[5x3]	C[3x3]	7:8:7:7:5:4:3:	7:7:5:3:2:2:1:1:	7:8:3:2:1:	C[3,3,3x4]-7:C[5x3]-8:C[4x3]-7:C[4x3]-7:C[3x3]-5:C[3x4]-4:C[6a]-3:	C[4x3,4,4]-7:C[4x3]-7:C[3x3]-5:H[3,3]-3:H[3]-2:H[3]-2:H-1:H-1:	C[4x3,4,4]-7:C[5x3]-8:H[3,3]-3:H[3]-2:H-1:	C[4x3,4,4](C[3,3,3x4]H[3,4,4]C[4x3]H[4,4]H[3]HH)(C[5x3]C[3x3]C[4x3]H[3,3]H[3]2HH)(C[4x3]C[3,3,3x4]C[4x3]H[3]2HH)(C[4x3]C[4x3]C[5x3]H[3]2HH)(C[3x3]C[5x3]H[3,3]H[3]H)(C[3x4]H[3,4,4]H[4,4]H)(C[6a]C[6a]2)	C[5x3](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]2C[6a])(C[4x3]C[4x3,4,4]C[4x3]H[3]2HH)(C[3x3]C[4x3,4,4]H[3,3]H[3]H)(H[3,3]C[3x3]H[3])(H[3]C[3x3])(H[3]H[3,3])(H)2	C[3x3](C[4x3,4,4]C[3,3,3x4]C[3x4]C[4x3]2C[5x3]C[6a])(C[5x3]C[4x3,4,4]C[4x3]H[3,3]H[3]2HH)(H[3,3]C[5x3]H[3])(H[3]C[5x3])(H)	C[4x3,4,4](C[3,3,3x4]H[3,4,4]C[4x3]H[4,4]H[3]HH)(C[5x3]C[3x3]C[4x3]H[3,3]H[3]2HH)(C[4x3]C[3,3,3x4]C[4x3]H[3]2HH)(C[4x3]C[4x3]C[5x3]H[3]2HH)(C[3x3]C[5x3]H[3,3]H[3]H)(C[3x4]H[3,4,4]H[4,4]H)(C[6a]C[6a]2){2|C<3>,2|H<1>}	C[5x3](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]2C[6a])(C[4x3]C[4x3,4,4]C[4x3]H[3]2HH)(C[3x3]C[4x3,4,4]H[3,3]H[3]H)(H[3,3]C[3x3]H[3])(H[3]C[3x3])(H[3]H[3,3])(H)2{1|H<3>,2|C<3>,2|H<2>,5|H<1>}	C[3x3](C[4x3,4,4]C[3,3,3x4]C[3x4]C[4x3]2C[5x3]C[6a])(C[5x3]C[4x3,4,4]C[4x3]H[3,3]H[3]2HH)(H[3,3]C[5x3]H[3])(H[3]C[5x3])(H){1|H<3>,2|C<3>,4|H<2>,7|H<1>}	39.2271	0.000	1	39.2271	0.000	1	39.2271	0.000	1	39.2271	0.000	1	39.2271	0.000	1	39.2271	0.000	1
238	114	951	0:SPD7_SP-NON_SPD8	C[4x3]	C[5x3]	H	7:8:7:2:2:1:1:	7:7:5:3:2:2:1:1:	7:	C[4x3,4,4]-7:C[5x3]-8:C[4x3]-7:H[3]-2:H[3]-2:H-1:H-1:	C[4x3,4,4]-7:C[4x3]-7:C[3x3]-5:H[3,3]-3:H[3]-2:H[3]-2:H-1:H-1:	C[4x3]-7:	C[4x3](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]C[5x3]C[6a])(C[5x3]C[4x3,4,4]C[3x3]H[3,3]H[3]2HH)(C[4x3]C[3,3,3x4]C[4x3,4,4]H[3]2HH)(H[3]C[4x3])2(H)2	C[5x3](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]2C[6a])(C[4x3]C[4x3,4,4]C[4x3]H[3]2HH)(C[3x3]C[4x3,4,4]H[3,3]H[3]H)(H[3,3]C[3x3]H[3])(H[3]C[3x3])(H[3]H[3,3])(H)2	H(C[4x3]C[4x3,4,4]C[4x3]C[5x3]H[3]2H)	C[4x3](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]C[5x3]C[6a])(C[5x3]C[4x3,4,4]C[3x3]H[3,3]H[3]2HH)(C[4x3]C[3,3,3x4]C[4x3,4,4]H[3]2HH)(H[3]C[4x3])2(H)2{1|H<3>,2|C<3>,2|H<2>,4|H<1>}	C[5x3](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]2C[6a])(C[4x3]C[4x3,4,4]C[4x3]H[3]2HH)(C[3x3]C[4x3,4,4]H[3,3]H[3]H)(H[3,3]C[3x3]H[3])(H[3]C[3x3])(H[3]H[3,3])(H)2{1|H<3>,2|C<3>,2|H<2>,5|H<1>}	H(C[4x3]C[4x3,4,4]C[4x3]C[5x3]H[3]2H)	79.3161	1.330	2	79.3161	1.768	2	79.3161	1.768	2	79.3161	1.768	2	79.3161	1.768	2	79.3161	1.768	2
238	114	968	0:SPD7_SP-NON_SPD8	C[4x3]	C[5x3]	H[3]	7:8:7:2:2:1:1:	7:7:5:3:2:2:1:1:	7:7:	C[4x3,4,4]-7:C[5x3]-8:C[4x3]-7:H[3]-2:H[3]-2:H-1:H-1:	C[4x3,4,4]-7:C[4x3]-7:C[3x3]-5:H[3,3]-3:H[3]-2:H[3]-2:H-1:H-1:	C[4x3]-7:C[4x3]-7:	C[4x3](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]C[5x3]C[6a])(C[5x3]C[4x3,4,4]C[3x3]H[3,3]H[3]2HH)(C[4x3]C[3,3,3x4]C[4x3,4,4]H[3]2HH)(H[3]C[4x3])2(H)2	C[5x3](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]2C[6a])(C[4x3]C[4x3,4,4]C[4x3]H[3]2HH)(C[3x3]C[4x3,4,4]H[3,3]H[3]H)(H[3,3]C[3x3]H[3])(H[3]C[3x3])(H[3]H[3,3])(H)2	H[3](C[4x3]C[3,3,3x4]C[4x3,4,4]C[4x3]H[3]HH)(C[4x3]C[4x3,4,4]C[4x3]C[5x3]H[3]HH)	C[4x3](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]C[5x3]C[6a])(C[5x3]C[4x3,4,4]C[3x3]H[3,3]H[3]2HH)(C[4x3]C[3,3,3x4]C[4x3,4,4]H[3]2HH)(H[3]C[4x3])2(H)2{1|H<3>,2|C<3>,2|H<2>,4|H<1>}	C[5x3](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]2C[6a])(C[4x3]C[4x3,4,4]C[4x3]H[3]2HH)(C[3x3]C[4x3,4,4]H[3,3]H[3]H)(H[3,3]C[3x3]H[3])(H[3]C[3x3])(H[3]H[3,3])(H)2{1|H<3>,2|C<3>,2|H<2>,5|H<1>}	H[3](C[4x3]C[3,3,3x4]C[4x3,4,4]C[4x3]H[3]HH)(C[4x3]C[4x3,4,4]C[4x3]C[5x3]H[3]HH)	161.3520	2.877	2	161.3520	8.274	2	161.3520	8.274	2	161.3520	8.274	2	161.3520	8.274	2	161.3520	8.274	2
238	118	118	0:SPD7_SP-NON_SP-NON	C[3x3]	F[3]	F[3]	4:3:2:2:2:2:1:	7:3:	7:2:	C[4]-4:F[3,3]-3:F[3]-2:F[3]-2:F[3]-2:F[3]-2:F-1:	C[3x3]-7:F[3,3]-3:	C[3x3]-7:F[3]-2:	C[3x3](C[4]C[4,5,6]N[4]C)(F[3,3]F[3]2)(F[3]F[3,3])2(F[3]F[3])2(F)	F[3](C[3x3]F[3,3]C[4]F[3]3F)(F[3,3]C[3x3]F[3])	F[3](C[3x3]F[3,3]C[4]F[3]3F)(F[3]C[3x3])	C[3x3](C[4]C[4,5,6]N[4]C)(F[3,3]F[3]2)(F[3]F[3,3])2(F[3]F[3])2(F){1|H<1>,1|N<2>,2|C<4>}	F[3](C[3x3]F[3,3]C[4]F[3]3F)(F[3,3]C[3x3]F[3]){1|N<3>,2|C<4>}	F[3](C[3x3]F[3,3]C[4]F[3]3F)(F[3]C[3x3]){1|N<3>,2|C<4>}	107.3841	29.943	4	107.3841	896.582	4	107.3841	896.582	4	107.3841	896.582	4	106.2290	679.107	5	100.0712	736.412	10
238	118	118	0:SPD7_SP-NON_SP-NON	C[3x3]	F[3]	F[3]	4:3:2:2:2:2:1:	7:3:	7:3:	C[4]-4:F[3,3]-3:F[3]-2:F[3]-2:F[3]-2:F[3]-2:F-1:	C[3x3]-7:F[3,3]-3:	C[3x3]-7:F[3,3]-3:	C[3x3](C[4]C[4,5,6]N[4]C)(F[3,3]F[3]2)(F[3]F[3,3])2(F[3]F[3])2(F)	F[3](C[3x3]F[3,3]C[4]F[3]3F)(F[3,3]C[3x3]F[3])	F[3](C[3x3]F[3,3]C[4]F[3]3F)(F[3,3]C[3x3]F[3])	C[3x3](C[4]C[4,5,6]N[4]C)(F[3,3]F[3]2)(F[3]F[3,3])2(F[3]F[3])2(F){1|H<1>,1|N<2>,2|C<4>}	F[3](C[3x3]F[3,3]C[4]F[3]3F)(F[3,3]C[3x3]F[3]){1|N<3>,2|C<4>}	F[3](C[3x3]F[3,3]C[4]F[3]3F)(F[3,3]C[3x3]F[3]){1|N<3>,2|C<4>}	101.6090	0.000	1	101.6090	0.000	1	101.6090	0.000	1	101.6090	0.000	1	106.2290	679.107	5	100.0712	736.412	10
238	118	118	0:SPD7_SP-NON_SP-NON	C[4x3]	F[3]	F[3]	3:3:3:2:2:2:2:	7:3:	7:2:	F[3,3]-3:F[3,3]-3:C[6a]-3:F[3]-2:F[3]-2:F[3]-2:F[3]-2:	C[4x3]-7:F[3,3]-3:	C[4x3]-7:F[3]-2:	C[4x3](F[3,3]F[3,3]F[3])2(C[6a]C[6a]2)(F[3]F[3,3])2(F[3]F[3])2	F[3](C[4x3]F[3,3]2C[6a]F[3]3)(F[3,3]C[4x3]F[3,3])	F[3](C[4x3]F[3,3]2C[6a]F[3]3)(F[3]C[4x3])	C[4x3](F[3,3]F[3,3]F[3])2(C[6a]C[6a]2)(F[3]F[3,3])2(F[3]F[3])2{2|C<3>,2|H<1>}	F[3](C[4x3]F[3,3]2C[6a]F[3]3)(F[3,3]C[4x3]F[3,3]){2|C<3>}	F[3](C[4x3]F[3,3]2C[6a]F[3]3)(F[3]C[4x3]){2|C<3>}	84.0796	23.080	4	84.0796	532.688	4	84.0796	532.688	4	84.0796	532.688	4	93.9133	883.022	5	100.0712	736.412	10
238	118	118	0:SPD7_SP-NON_SP-NON	C[4x3]	F[3]	F[3]	3:3:3:2:2:2:2:	7:3:	7:3:	F[3,3]-3:F[3,3]-3:C[6a]-3:F[3]-2:F[3]-2:F[3]-2:F[3]-2:	C[4x3]-7:F[3,3]-3:	C[4x3]-7:F[3,3]-3:	C[4x3](F[3,3]F[3,3]F[3])2(C[6a]C[6a]2)(F[3]F[3,3])2(F[3]F[3])2	F[3](C[4x3]F[3,3]2C[6a]F[3]3)(F[3,3]C[4x3]F[3,3])	F[3](C[4x3]F[3,3]2C[6a]F[3]3)(F[3,3]C[4x3]F[3,3])	C[4x3](F[3,3]F[3,3]F[3])2(C[6a]C[6a]2)(F[3]F[3,3])2(F[3]F[3])2{2|C<3>,2|H<1>}	F[3](C[4x3]F[3,3]2C[6a]F[3]3)(F[3,3]C[4x3]F[3,3]){2|C<3>}	F[3](C[4x3]F[3,3]2C[6a]F[3]3)(F[3,3]C[4x3]F[3,3]){2|C<3>}	133.2480	0.000	1	133.2480	0.000	1	133.2480	0.000	1	133.2480	0.000	1	93.9133	883.022	5	100.0712	736.412	10
238	118	118	3:SPD7_SP-NON_SP-NON	C[3x3]	F[3]	F[3]	4:3:2:2:2:2:1:	7:2:	7:2:	C[4]-4:F[3,3]-3:F[3]-2:F[3]-2:F[3]-2:F[3]-2:F-1:	C[3x3]-7:F[3]-2:	C[3x3]-7:F[3]-2:	C[3x3](C[4]C[4,5,6]N[4]C)(F[3,3]F[3]2)(F[3]F[3,3])2(F[3]F[3])2(F)	F[3](C[3x3]F[3,3]C[4]F[3]3F)(F[3]C[3x3])	F[3](C[3x3]F[3,3]C[4]F[3]3F)(F[3]C[3x3])	C[3x3](C[4]C[4,5,6]N[4]C)(F[3,3]F[3]2)(F[3]F[3,3])2(F[3]F[3])2(F){1|H<1>,1|N<2>,2|C<4>}	F[3](C[3x3]F[3,3]C[4]F[3]3F)(F[3]C[3x3]){1|N<3>,2|C<4>}	F[3](C[3x3]F[3,3]C[4]F[3]3F)(F[3]C[3x3]){1|N<3>,2|C<4>}	45.1374	0.000	1	45.1374	0.000	1	45.1374	0.000	1	45.1374	0.000	1	45.1374	0.000	1	44.4635	0.908	2
238	118	118	3:SPD7_SP-NON_SP-NON	C[4x3]	F[3]	F[3]	3:3:3:2:2:2:2:	7:2:	7:2:	F[3,3]-3:F[3,3]-3:C[6a]-3:F[3]-2:F[3]-2:F[3]-2:F[3]-2:	C[4x3]-7:F[3]-2:	C[4x3]-7:F[3]-2:	C[4x3](F[3,3]F[3,3]F[3])2(C[6a]C[6a]2)(F[3]F[3,3])2(F[3]F[3])2	F[3](C[4x3]F[3,3]2C[6a]F[3]3)(F[3]C[4x3])	F[3](C[4x3]F[3,3]2C[6a]F[3]3)(F[3]C[4x3])	C[4x3](F[3,3]F[3,3]F[3])2(C[6a]C[6a]2)(F[3]F[3,3])2(F[3]F[3])2{2|C<3>,2|H<1>}	F[3](C[4x3]F[3,3]2C[6a]F[3]3)(F[3]C[4x3]){2|C<3>}	F[3](C[4x3]F[3,3]2C[6a]F[3]3)(F[3]C[4x3]){2|C<3>}	43.7897	0.000	1	43.7897	0.000	1	43.7897	0.000	1	43.7897	0.000	1	43.7897	0.000	1	44.4635	0.908	2
238	118	478	0:SPD7_SP-NON_SP3	C[3x3]	F[3]	C[4]	4:3:2:2:2:2:1:	7:2:	4:7:3:4:	C[4]-4:F[3,3]-3:F[3]-2:F[3]-2:F[3]-2:F[3]-2:F-1:	C[3x3]-7:F[3]-2:	C[4,5,6]-4:C[3x3]-7:N[4]-3:C-4:	C[3x3](C[4]C[4,5,6]N[4]C)(F[3,3]F[3]2)(F[3]F[3,3])2(F[3]F[3])2(F)	F[3](C[3x3]F[3,3]C[4]F[3]3F)(F[3]C[3x3])	C[4](C[4,5,6]C[4,5,6]C[5,5,6]H)(C[3x3]F[3,3]F[3]4F)(N[4]C[4,5,6]N)(CF3)	C[3x3](C[4]C[4,5,6]N[4]C)(F[3,3]F[3]2)(F[3]F[3,3])2(F[3]F[3])2(F){1|H<1>,1|N<2>,2|C<4>}	F[3](C[3x3]F[3,3]C[4]F[3]3F)(F[3]C[3x3]){1|N<3>,2|C<4>}	C[4](C[4,5,6]C[4,5,6]C[5,5,6]H)(C[3x3]F[3,3]F[3]4F)(N[4]C[4,5,6]N)(CF3){2|H<1>,3|C<4>}	111.2565	1.353	2	111.2565	1.830	2	111.2565	1.830	2	111.2565	1.830	2	110.4218	1.591	4	110.4218	1.591	4
238	118	478	0:SPD7_SP-NON_SP3	C[3x3]	F[3]	C[4]	4:3:2:2:2:2:1:	7:3:	4:7:3:4:	C[4]-4:F[3,3]-3:F[3]-2:F[3]-2:F[3]-2:F[3]-2:F-1:	C[3x3]-7:F[3,3]-3:	C[4,5,6]-4:C[3x3]-7:N[4]-3:C-4:	C[3x3](C[4]C[4,5,6]N[4]C)(F[3,3]F[3]2)(F[3]F[3,3])2(F[3]F[3])2(F)	F[3](C[3x3]F[3,3]C[4]F[3]3F)(F[3,3]C[3x3]F[3])	C[4](C[4,5,6]C[4,5,6]C[5,5,6]H)(C[3x3]F[3,3]F[3]4F)(N[4]C[4,5,6]N)(CF3)	C[3x3](C[4]C[4,5,6]N[4]C)(F[3,3]F[3]2)(F[3]F[3,3])2(F[3]F[3])2(F){1|H<1>,1|N<2>,2|C<4>}	F[3](C[3x3]F[3,3]C[4]F[3]3F)(F[3,3]C[3x3]F[3]){1|N<3>,2|C<4>}	C[4](C[4,5,6]C[4,5,6]C[5,5,6]H)(C[3x3]F[3,3]F[3]4F)(N[4]C[4,5,6]N)(CF3){2|H<1>,3|C<4>}	109.5870	0.395	2	109.5870	0.156	2	109.5870	0.156	2	109.5870	0.156	2	110.4218	1.591	4	110.4218	1.591	4
238	118	643	0:SPD7_SP-NON_SP2	C[4x3]	F[3]	C[6a]	3:3:3:2:2:2:2:	7:2:	7:3:3:	F[3,3]-3:F[3,3]-3:C[6a]-3:F[3]-2:F[3]-2:F[3]-2:F[3]-2:	C[4x3]-7:F[3]-2:	C[4x3]-7:C[6a]-3:C[6a]-3:	C[4x3](F[3,3]F[3,3]F[3])2(C[6a]C[6a]2)(F[3]F[3,3])2(F[3]F[3])2	F[3](C[4x3]F[3,3]2C[6a]F[3]3)(F[3]C[4x3])	C[6a](C[4x3]F[3,3]2F[3]4)(C[6a]C[6a]H)2	C[4x3](F[3,3]F[3,3]F[3])2(C[6a]C[6a]2)(F[3]F[3,3])2(F[3]F[3])2{2|C<3>,2|H<1>}	F[3](C[4x3]F[3,3]2C[6a]F[3]3)(F[3]C[4x3]){2|C<3>}	C[6a](C[4x3]F[3,3]2F[3]4)(C[6a]C[6a]H)2{1|B<4>,1|C<3>,1|C<4>}	114.1750	3.144	2	114.1750	9.883	2	114.1750	9.883	2	114.1750	9.883	2	113.5523	5.002	4	113.5523	5.002	4
238	118	643	0:SPD7_SP-NON_SP2	C[4x3]	F[3]	C[6a]	3:3:3:2:2:2:2:	7:3:	7:3:3:	F[3,3]-3:F[3,3]-3:C[6a]-3:F[3]-2:F[3]-2:F[3]-2:F[3]-2:	C[4x3]-7:F[3,3]-3:	C[4x3]-7:C[6a]-3:C[6a]-3:	C[4x3](F[3,3]F[3,3]F[3])2(C[6a]C[6a]2)(F[3]F[3,3])2(F[3]F[3])2	F[3](C[4x3]F[3,3]2C[6a]F[3]3)(F[3,3]C[4x3]F[3,3])	C[6a](C[4x3]F[3,3]2F[3]4)(C[6a]C[6a]H)2	C[4x3](F[3,3]F[3,3]F[3])2(C[6a]C[6a]2)(F[3]F[3,3])2(F[3]F[3])2{2|C<3>,2|H<1>}	F[3](C[4x3]F[3,3]2C[6a]F[3]3)(F[3,3]C[4x3]F[3,3]){2|C<3>}	C[6a](C[4x3]F[3,3]2F[3]4)(C[6a]C[6a]H)2{1|B<4>,1|C<3>,1|C<4>}	112.9295	1.890	2	112.9295	3.572	2	112.9295	3.572	2	112.9295	3.572	2	113.5523	5.002	4	113.5523	5.002	4
238	118	830	0:SPD7_SP-NON_SP-NON	C[3x3]	F[3]	F	4:3:2:2:2:2:1:	7:2:	7:	C[4]-4:F[3,3]-3:F[3]-2:F[3]-2:F[3]-2:F[3]-2:F-1:	C[3x3]-7:F[3]-2:	C[3x3]-7:	C[3x3](C[4]C[4,5,6]N[4]C)(F[3,3]F[3]2)(F[3]F[3,3])2(F[3]F[3])2(F)	F[3](C[3x3]F[3,3]C[4]F[3]3F)(F[3]C[3x3])	F(C[3x3]F[3,3]C[4]F[3]4)	C[3x3](C[4]C[4,5,6]N[4]C)(F[3,3]F[3]2)(F[3]F[3,3])2(F[3]F[3])2(F){1|H<1>,1|N<2>,2|C<4>}	F[3](C[3x3]F[3,3]C[4]F[3]3F)(F[3]C[3x3]){1|N<3>,2|C<4>}	F(C[3x3]F[3,3]C[4]F[3]4)	82.0449	28.665	2	82.0449	821.673	2	82.0449	821.673	2	82.0449	821.673	2	89.2590	1379.079	4	89.2590	1379.079	4
238	118	830	0:SPD7_SP-NON_SP-NON	C[3x3]	F[3]	F	4:3:2:2:2:2:1:	7:3:	7:	C[4]-4:F[3,3]-3:F[3]-2:F[3]-2:F[3]-2:F[3]-2:F-1:	C[3x3]-7:F[3,3]-3:	C[3x3]-7:	C[3x3](C[4]C[4,5,6]N[4]C)(F[3,3]F[3]2)(F[3]F[3,3])2(F[3]F[3])2(F)	F[3](C[3x3]F[3,3]C[4]F[3]3F)(F[3,3]C[3x3]F[3])	F(C[3x3]F[3,3]C[4]F[3]4)	C[3x3](C[4]C[4,5,6]N[4]C)(F[3,3]F[3]2)(F[3]F[3,3])2(F[3]F[3])2(F){1|H<1>,1|N<2>,2|C<4>}	F[3](C[3x3]F[3,3]C[4]F[3]3F)(F[3,3]C[3x3]F[3]){1|N<3>,2|C<4>}	F(C[3x3]F[3,3]C[4]F[3]4)	96.4731	55.744	2	96.4731	3107.392	2	96.4731	3107.392	2	96.4731	3107.392	2	89.2590	1379.079	4	89.2590	1379.079	4
238	118	912	0:SPD7_SP-NON_SP-NON	C[3x3]	F[3]	F[3,3]	4:3:2:2:2:2:1:	7:2:	7:2:2:	C[4]-4:F[3,3]-3:F[3]-2:F[3]-2:F[3]-2:F[3]-2:F-1:	C[3x3]-7:F[3]-2:	C[3x3]-7:F[3]-2:F[3]-2:	C[3x3](C[4]C[4,5,6]N[4]C)(F[3,3]F[3]2)(F[3]F[3,3])2(F[3]F[3])2(F)	F[3](C[3x3]F[3,3]C[4]F[3]3F)(F[3]C[3x3])	F[3,3](C[3x3]C[4]F[3]4F)(F[3]C[3x3])2	C[3x3](C[4]C[4,5,6]N[4]C)(F[3,3]F[3]2)(F[3]F[3,3])2(F[3]F[3])2(F){1|H<1>,1|N<2>,2|C<4>}	F[3](C[3x3]F[3,3]C[4]F[3]3F)(F[3]C[3x3]){1|N<3>,2|C<4>}	F[3,3](C[3x3]C[4]F[3]4F)(F[3]C[3x3])2{1|N<3>,2|C<4>}	120.8080	18.669	2	120.8080	348.533	2	120.8080	348.533	2	120.8080	348.533	2	120.8080	348.533	2	115.8911	194.328	8
238	118	912	0:SPD7_SP-NON_SP-NON	C[4x3]	F[3]	F[3,3]	3:3:3:2:2:2:2:	7:2:	7:3:2:	F[3,3]-3:F[3,3]-3:C[6a]-3:F[3]-2:F[3]-2:F[3]-2:F[3]-2:	C[4x3]-7:F[3]-2:	C[4x3]-7:F[3,3]-3:F[3]-2:	C[4x3](F[3,3]F[3,3]F[3])2(C[6a]C[6a]2)(F[3]F[3,3])2(F[3]F[3])2	F[3](C[4x3]F[3,3]2C[6a]F[3]3)(F[3]C[4x3])	F[3,3](C[4x3]F[3,3]C[6a]F[3]4)(F[3,3]C[4x3]F[3])(F[3]C[4x3])	C[4x3](F[3,3]F[3,3]F[3])2(C[6a]C[6a]2)(F[3]F[3,3])2(F[3]F[3])2{2|C<3>,2|H<1>}	F[3](C[4x3]F[3,3]2C[6a]F[3]3)(F[3]C[4x3]){2|C<3>}	F[3,3](C[4x3]F[3,3]C[6a]F[3]4)(F[3,3]C[4x3]F[3])(F[3]C[4x3]){2|C<3>}	119.7280	13.992	4	119.7280	195.769	4	119.7280	195.769	4	119.7280	195.769	4	114.2522	189.458	6	115.8911	194.328	8
238	118	912	0:SPD7_SP-NON_SP-NON	C[4x3]	F[3]	F[3,3]	3:3:3:2:2:2:2:	7:3:	7:3:2:	F[3,3]-3:F[3,3]-3:C[6a]-3:F[3]-2:F[3]-2:F[3]-2:F[3]-2:	C[4x3]-7:F[3,3]-3:	C[4x3]-7:F[3,3]-3:F[3]-2:	C[4x3](F[3,3]F[3,3]F[3])2(C[6a]C[6a]2)(F[3]F[3,3])2(F[3]F[3])2	F[3](C[4x3]F[3,3]2C[6a]F[3]3)(F[3,3]C[4x3]F[3,3])	F[3,3](C[4x3]F[3,3]C[6a]F[3]4)(F[3,3]C[4x3]F[3])(F[3]C[4x3])	C[4x3](F[3,3]F[3,3]F[3])2(C[6a]C[6a]2)(F[3]F[3,3])2(F[3]F[3])2{2|C<3>,2|H<1>}	F[3](C[4x3]F[3,3]2C[6a]F[3]3)(F[3,3]C[4x3]F[3,3]){2|C<3>}	F[3,3](C[4x3]F[3,3]C[6a]F[3]4)(F[3,3]C[4x3]F[3])(F[3]C[4x3]){2|C<3>}	103.3005	0.408	2	103.3005	0.166	2	103.3005	0.166	2	103.3005	0.166	2	114.2522	189.458	6	115.8911	194.328	8
238	118	912	3:SPD7_SP-NON_SP-NON	C[3x3]	F[3]	F[3,3]	4:3:2:2:2:2:1:	7:3:	7:2:2:	C[4]-4:F[3,3]-3:F[3]-2:F[3]-2:F[3]-2:F[3]-2:F-1:	C[3x3]-7:F[3,3]-3:	C[3x3]-7:F[3]-2:F[3]-2:	C[3x3](C[4]C[4,5,6]N[4]C)(F[3,3]F[3]2)(F[3]F[3,3])2(F[3]F[3])2(F)	F[3](C[3x3]F[3,3]C[4]F[3]3F)(F[3,3]C[3x3]F[3])	F[3,3](C[3x3]C[4]F[3]4F)(F[3]C[3x3])2	C[3x3](C[4]C[4,5,6]N[4]C)(F[3,3]F[3]2)(F[3]F[3,3])2(F[3]F[3])2(F){1|H<1>,1|N<2>,2|C<4>}	F[3](C[3x3]F[3,3]C[4]F[3]3F)(F[3,3]C[3x3]F[3]){1|N<3>,2|C<4>}	F[3,3](C[3x3]C[4]F[3]4F)(F[3]C[3x3])2{1|N<3>,2|C<4>}	51.1466	4.315	2	51.1466	18.623	2	51.1466	18.623	2	51.1466	18.623	2	51.1466	18.623	2	49.9904	7.990	4
238	118	912	3:SPD7_SP-NON_SP-NON	C[4x3]	F[3]	F[3,3]	3:3:3:2:2:2:2:	7:3:	7:3:2:	F[3,3]-3:F[3,3]-3:C[6a]-3:F[3]-2:F[3]-2:F[3]-2:F[3]-2:	C[4x3]-7:F[3,3]-3:	C[4x3]-7:F[3,3]-3:F[3]-2:	C[4x3](F[3,3]F[3,3]F[3])2(C[6a]C[6a]2)(F[3]F[3,3])2(F[3]F[3])2	F[3](C[4x3]F[3,3]2C[6a]F[3]3)(F[3,3]C[4x3]F[3,3])	F[3,3](C[4x3]F[3,3]C[6a]F[3]4)(F[3,3]C[4x3]F[3])(F[3]C[4x3])	C[4x3](F[3,3]F[3,3]F[3])2(C[6a]C[6a]2)(F[3]F[3,3])2(F[3]F[3])2{2|C<3>,2|H<1>}	F[3](C[4x3]F[3,3]2C[6a]F[3]3)(F[3,3]C[4x3]F[3,3]){2|C<3>}	F[3,3](C[4x3]F[3,3]C[6a]F[3]4)(F[3,3]C[4x3]F[3])(F[3]C[4x3]){2|C<3>}	48.8343	0.035	2	48.8343	0.001	2	48.8343	0.001	2	48.8343	0.001	2	48.8343	0.001	2	49.9904	7.990	4
238	238	238	0:SPD7_SPD7_SPD7	C[4x3,4,4]	C[4x3]	C[3,3,3x4]	7:8:7:7:5:4:3:	7:8:7:2:2:1:1:	7:7:3:2:2:1:1:	C[3,3,3x4]-7:C[5x3]-8:C[4x3]-7:C[4x3]-7:C[3x3]-5:C[3x4]-4:C[6a]-3:	C[4x3,4,4]-7:C[5x3]-8:C[4x3]-7:H[3]-2:H[3]-2:H-1:H-1:	C[4x3,4,4]-7:C[4x3]-7:H[3,4,4]-3:H[3]-2:H[4,4]-2:H-1:H-1:	C[4x3,4,4](C[3,3,3x4]H[3,4,4]C[4x3]H[4,4]H[3]HH)(C[5x3]C[3x3]C[4x3]H[3,3]H[3]2HH)(C[4x3]C[3,3,3x4]C[4x3]H[3]2HH)(C[4x3]C[4x3]C[5x3]H[3]2HH)(C[3x3]C[5x3]H[3,3]H[3]H)(C[3x4]H[3,4,4]H[4,4]H)(C[6a]C[6a]2)	C[4x3](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]C[5x3]C[6a])(C[5x3]C[4x3,4,4]C[3x3]H[3,3]H[3]2HH)(C[4x3]C[3,3,3x4]C[4x3,4,4]H[3]2HH)(H[3]C[4x3])2(H)2	C[3,3,3x4](C[4x3,4,4]C[3x3]C[3x4]C[4x3]2C[5x3]C[6a])(C[4x3]C[4x3,4,4]C[4x3]H[3]2HH)(H[3,4,4]C[3x4]H[3])(H[3]H[3,4,4])(H[4,4]C[3x4])(H)2	C[4x3,4,4](C[3,3,3x4]H[3,4,4]C[4x3]H[4,4]H[3]HH)(C[5x3]C[3x3]C[4x3]H[3,3]H[3]2HH)(C[4x3]C[3,3,3x4]C[4x3]H[3]2HH)(C[4x3]C[4x3]C[5x3]H[3]2HH)(C[3x3]C[5x3]H[3,3]H[3]H)(C[3x4]H[3,4,4]H[4,4]H)(C[6a]C[6a]2){2|C<3>,2|H<1>}	C[4x3](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]C[5x3]C[6a])(C[5x3]C[4x3,4,4]C[3x3]H[3,3]H[3]2HH)(C[4x3]C[3,3,3x4]C[4x3,4,4]H[3]2HH)(H[3]C[4x3])2(H)2{1|H<3>,2|C<3>,2|H<2>,4|H<1>}	C[3,3,3x4](C[4x3,4,4]C[3x3]C[3x4]C[4x3]2C[5x3]C[6a])(C[4x3]C[4x3,4,4]C[4x3]H[3]2HH)(H[3,4,4]C[3x4]H[3])(H[3]H[3,4,4])(H[4,4]C[3x4])(H)2{1|H<3>,2|C<3>,2|H<2>,6|H<1>}	108.2050	0.000	1	108.2050	0.000	1	108.2050	0.000	1	108.2050	0.000	1	108.2050	0.000	1	107.7337	21.668	3
238	238	238	0:SPD7_SPD7_SPD7	C[4x3]	C[4x3]	C[3,3,3x4]	7:7:7:2:2:1:1:	7:8:7:2:2:1:1:	7:7:3:2:2:1:1:	C[4x3,4,4]-7:C[3,3,3x4]-7:C[4x3]-7:H[3]-2:H[3]-2:H-1:H-1:	C[4x3,4,4]-7:C[5x3]-8:C[4x3]-7:H[3]-2:H[3]-2:H-1:H-1:	C[4x3,4,4]-7:C[4x3]-7:H[3,4,4]-3:H[3]-2:H[4,4]-2:H-1:H-1:	C[4x3](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]C[5x3]C[6a])(C[3,3,3x4]C[4x3,4,4]H[3,4,4]H[4,4]H[3]HH)(C[4x3]C[4x3,4,4]C[5x3]H[3]2HH)(H[3]C[4x3])2(H)2	C[4x3](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]C[5x3]C[6a])(C[5x3]C[4x3,4,4]C[3x3]H[3,3]H[3]2HH)(C[4x3]C[3,3,3x4]C[4x3,4,4]H[3]2HH)(H[3]C[4x3])2(H)2	C[3,3,3x4](C[4x3,4,4]C[3x3]C[3x4]C[4x3]2C[5x3]C[6a])(C[4x3]C[4x3,4,4]C[4x3]H[3]2HH)(H[3,4,4]C[3x4]H[3])(H[3]H[3,4,4])(H[4,4]C[3x4])(H)2	C[4x3](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]C[5x3]C[6a])(C[3,3,3x4]C[4x3,4,4]H[3,4,4]H[4,4]H[3]HH)(C[4x3]C[4x3,4,4]C[5x3]H[3]2HH)(H[3]C[4x3])2(H)2{1|H<3>,2|C<3>,2|H<2>,4|H<1>}	C[4x3](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]C[5x3]C[6a])(C[5x3]C[4x3,4,4]C[3x3]H[3,3]H[3]2HH)(C[4x3]C[3,3,3x4]C[4x3,4,4]H[3]2HH)(H[3]C[4x3])2(H)2{1|H<3>,2|C<3>,2|H<2>,4|H<1>}	C[3,3,3x4](C[4x3,4,4]C[3x3]C[3x4]C[4x3]2C[5x3]C[6a])(C[4x3]C[4x3,4,4]C[4x3]H[3]2HH)(H[3,4,4]C[3x4]H[3])(H[3]H[3,4,4])(H[4,4]C[3x4])(H)2{1|H<3>,2|C<3>,2|H<2>,6|H<1>}	112.1350	0.000	1	112.1350	0.000	1	112.1350	0.000	1	112.1350	0.000	1	112.1350	0.000	1	107.7337	21.668	3
238	238	238	0:SPD7_SPD7_SPD7	C[6x3]	C[3x3,6]	C[4x3,6]	8:6:7:7:6:7:3:	7:7:6:2:1:1:1:	7:6:7:2:2:1:1:	C[5x3,6]-8:C[3x3,6]-6:C[4x3,6]-7:C[4x3,6]-7:C[4x3,6]-6:C[3x3,6]-7:C[6a]-3:	C[6x3]-7:C[4x3,6]-7:C[4x3,6]-6:H[3]-2:H-1:H-1:H-1:	C[6x3]-7:C[3x3,6]-6:C[4x3,6]-7:H[3]-2:H[3]-2:H-1:H-1:	C[6x3](C[5x3,6]C[3x3,6]C[4x3,6]H[3,3]H[3]2HH)(C[3x3,6]C[4x3,6]C[5x3,6]H[3,3]HH)(C[4x3,6]C[3x3,6]C[4x3,6]H[3]2HH)2(C[4x3,6]C[3x3,6]C[5x3,6]H[3]2H)(C[3x3,6]C[4x3,6]2H[3]H3)(C[6a]C[6a]2)	C[3x3,6](C[6x3]C[3x3,6]C[4x3,6]3C[5x3,6]C[6a])(C[4x3,6]C[4x3,6]C[6x3]H[3]2HH)(C[4x3,6]C[5x3,6]C[6x3]H[3]2H)(H[3]C[4x3,6])(H)3	C[4x3,6](C[6x3]C[3x3,6]2C[4x3,6]2C[5x3,6]C[6a])(C[3x3,6]C[5x3,6]C[6x3]H[3,3]HH)(C[4x3,6]C[3x3,6]C[6x3]H[3]2HH)(H[3]C[4x3,6])2(H)2	C[6x3](C[5x3,6]C[3x3,6]C[4x3,6]H[3,3]H[3]2HH)(C[3x3,6]C[4x3,6]C[5x3,6]H[3,3]HH)(C[4x3,6]C[3x3,6]C[4x3,6]H[3]2HH)2(C[4x3,6]C[3x3,6]C[5x3,6]H[3]2H)(C[3x3,6]C[4x3,6]2H[3]H3)(C[6a]C[6a]2){2|C<3>,2|H<1>}	C[3x3,6](C[6x3]C[3x3,6]C[4x3,6]3C[5x3,6]C[6a])(C[4x3,6]C[4x3,6]C[6x3]H[3]2HH)(C[4x3,6]C[5x3,6]C[6x3]H[3]2H)(H[3]C[4x3,6])(H)3{1|H<2>,1|H<3>,2|C<3>,6|H<1>}	C[4x3,6](C[6x3]C[3x3,6]2C[4x3,6]2C[5x3,6]C[6a])(C[3x3,6]C[5x3,6]C[6x3]H[3,3]HH)(C[4x3,6]C[3x3,6]C[6x3]H[3]2HH)(H[3]C[4x3,6])2(H)2{2|C<3>,3|H<2>,6|H<1>}	102.8610	0.000	1	102.8610	0.000	1	102.8610	0.000	1	102.8610	0.000	1	102.8610	0.000	1	107.7337	21.668	3
238	238	238	3:SPD7_SPD7_SPD7	C[3,3,3x4]	C[4x3,4,4]	C[4x3]	7:7:3:2:2:1:1:	7:8:7:7:5:4:3:	7:7:7:2:2:1:1:	C[4x3,4,4]-7:C[4x3]-7:H[3,4,4]-3:H[3]-2:H[4,4]-2:H-1:H-1:	C[3,3,3x4]-7:C[5x3]-8:C[4x3]-7:C[4x3]-7:C[3x3]-5:C[3x4]-4:C[6a]-3:	C[4x3,4,4]-7:C[3,3,3x4]-7:C[4x3]-7:H[3]-2:H[3]-2:H-1:H-1:	C[3,3,3x4](C[4x3,4,4]C[3x3]C[3x4]C[4x3]2C[5x3]C[6a])(C[4x3]C[4x3,4,4]C[4x3]H[3]2HH)(H[3,4,4]C[3x4]H[3])(H[3]H[3,4,4])(H[4,4]C[3x4])(H)2	C[4x3,4,4](C[3,3,3x4]H[3,4,4]C[4x3]H[4,4]H[3]HH)(C[5x3]C[3x3]C[4x3]H[3,3]H[3]2HH)(C[4x3]C[3,3,3x4]C[4x3]H[3]2HH)(C[4x3]C[4x3]C[5x3]H[3]2HH)(C[3x3]C[5x3]H[3,3]H[3]H)(C[3x4]H[3,4,4]H[4,4]H)(C[6a]C[6a]2)	C[4x3](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]C[5x3]C[6a])(C[3,3,3x4]C[4x3,4,4]H[3,4,4]H[4,4]H[3]HH)(C[4x3]C[4x3,4,4]C[5x3]H[3]2HH)(H[3]C[4x3])2(H)2	C[3,3,3x4](C[4x3,4,4]C[3x3]C[3x4]C[4x3]2C[5x3]C[6a])(C[4x3]C[4x3,4,4]C[4x3]H[3]2HH)(H[3,4,4]C[3x4]H[3])(H[3]H[3,4,4])(H[4,4]C[3x4])(H)2{1|H<3>,2|C<3>,2|H<2>,6|H<1>}	C[4x3,4,4](C[3,3,3x4]H[3,4,4]C[4x3]H[4,4]H[3]HH)(C[5x3]C[3x3]C[4x3]H[3,3]H[3]2HH)(C[4x3]C[3,3,3x4]C[4x3]H[3]2HH)(C[4x3]C[4x3]C[5x3]H[3]2HH)(C[3x3]C[5x3]H[3,3]H[3]H)(C[3x4]H[3,4,4]H[4,4]H)(C[6a]C[6a]2){2|C<3>,2|H<1>}	C[4x3](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]C[5x3]C[6a])(C[3,3,3x4]C[4x3,4,4]H[3,4,4]H[4,4]H[3]HH)(C[4x3]C[4x3,4,4]C[5x3]H[3]2HH)(H[3]C[4x3])2(H)2{1|H<3>,2|C<3>,2|H<2>,4|H<1>}	61.5602	0.000	1	61.5602	0.000	1	61.5602	0.000	1	61.5602	0.000	1	61.5602	0.000	1	60.0000	52.494	21
238	238	238	3:SPD7_SPD7_SPD7	C[3x3,3x4]	C[4x3]	C[4x3]	6:7:7:5:6:6:3:	7:7:6:2:2:1:1:	7:7:6:2:2:1:1:	C[3,6x4]-6:C[4x3]-7:C[4x3]-7:C[6x4]-5:C[3x3]-6:C[3x3]-6:C[6a]-3:	C[3x3,3x4]-7:C[4x3]-7:C[3x3]-6:H[3]-2:H[3]-2:H-1:H-1:	C[3x3,3x4]-7:C[4x3]-7:C[3x3]-6:H[3]-2:H[3]-2:H-1:H-1:	C[3x3,3x4](C[3,6x4]H[3,3x4]H[3x4]2H[3]H)(C[4x3]C[3x3]C[4x3]H[3]2HH)2(C[6x4]H[3,3x4]H[3x4]2H)(C[3x3]C[4x3]H[3]2HH)2(C[6a]C[6a]2)	C[4x3](C[3x3,3x4]C[3,6x4]C[3x3]2C[4x3]C[6x4]C[6a])(C[4x3]C[3x3,3x4]C[3x3]H[3]2HH)(C[3x3]C[3x3,3x4]H[3]2HH)(H[3]C[3x3])2(H)2	C[4x3](C[3x3,3x4]C[3,6x4]C[3x3]2C[4x3]C[6x4]C[6a])(C[4x3]C[3x3,3x4]C[3x3]H[3]2HH)(C[3x3]C[3x3,3x4]H[3]2HH)(H[3]C[3x3])2(H)2	C[3x3,3x4](C[3,6x4]H[3,3x4]H[3x4]2H[3]H)(C[4x3]C[3x3]C[4x3]H[3]2HH)2(C[6x4]H[3,3x4]H[3x4]2H)(C[3x3]C[4x3]H[3]2HH)2(C[6a]C[6a]2){2|C<3>,2|H<1>}	C[4x3](C[3x3,3x4]C[3,6x4]C[3x3]2C[4x3]C[6x4]C[6a])(C[4x3]C[3x3,3x4]C[3x3]H[3]2HH)(C[3x3]C[3x3,3x4]H[3]2HH)(H[3]C[3x3])2(H)2{1|H<3>,2|C<3>,3|H<2>,4|H<1>}	C[4x3](C[3x3,3x4]C[3,6x4]C[3x3]2C[4x3]C[6x4]C[6a])(C[4x3]C[3x3,3x4]C[3x3]H[3]2HH)(C[3x3]C[3x3,3x4]H[3]2HH)(H[3]C[3x3])2(H)2{1|H<3>,2|C<3>,3|H<2>,4|H<1>}	63.0666	0.000	1	63.0666	0.000	1	63.0666	0.000	1	63.0666	0.000	1	63.0666	0.000	1	60.0000	52.494	21
238	238	238	3:SPD7_SPD7_SPD7	C[3x3,6]	C[6x3]	C[4x3,6]	7:7:6:2:1:1:1:	8:6:7:7:6:7:3:	7:7:7:2:2:1:1:	C[6x3]-7:C[4x3,6]-7:C[4x3,6]-6:H[3]-2:H-1:H-1:H-1:	C[5x3,6]-8:C[3x3,6]-6:C[4x3,6]-7:C[4x3,6]-7:C[4x3,6]-6:C[3x3,6]-7:C[6a]-3:	C[6x3]-7:C[4x3,6]-7:C[3x3,6]-7:H[3]-2:H[3]-2:H-1:H-1:	C[3x3,6](C[6x3]C[3x3,6]C[4x3,6]3C[5x3,6]C[6a])(C[4x3,6]C[4x3,6]C[6x3]H[3]2HH)(C[4x3,6]C[5x3,6]C[6x3]H[3]2H)(H[3]C[4x3,6])(H)3	C[6x3](C[5x3,6]C[3x3,6]C[4x3,6]H[3,3]H[3]2HH)(C[3x3,6]C[4x3,6]C[5x3,6]H[3,3]HH)(C[4x3,6]C[3x3,6]C[4x3,6]H[3]2HH)2(C[4x3,6]C[3x3,6]C[5x3,6]H[3]2H)(C[3x3,6]C[4x3,6]2H[3]H3)(C[6a]C[6a]2)	C[4x3,6](C[6x3]C[3x3,6]2C[4x3,6]2C[5x3,6]C[6a])(C[4x3,6]C[3x3,6]C[6x3]H[3]2HH)(C[3x3,6]C[4x3,6]C[6x3]H[3]H3)(H[3]C[4x3,6])2(H)2	C[3x3,6](C[6x3]C[3x3,6]C[4x3,6]3C[5x3,6]C[6a])(C[4x3,6]C[4x3,6]C[6x3]H[3]2HH)(C[4x3,6]C[5x3,6]C[6x3]H[3]2H)(H[3]C[4x3,6])(H)3{1|H<2>,1|H<3>,2|C<3>,6|H<1>}	C[6x3](C[5x3,6]C[3x3,6]C[4x3,6]H[3,3]H[3]2HH)(C[3x3,6]C[4x3,6]C[5x3,6]H[3,3]HH)(C[4x3,6]C[3x3,6]C[4x3,6]H[3]2HH)2(C[4x3,6]C[3x3,6]C[5x3,6]H[3]2H)(C[3x3,6]C[4x3,6]2H[3]H3)(C[6a]C[6a]2){2|C<3>,2|H<1>}	C[4x3,6](C[6x3]C[3x3,6]2C[4x3,6]2C[5x3,6]C[6a])(C[4x3,6]C[3x3,6]C[6x3]H[3]2HH)(C[3x3,6]C[4x3,6]C[6x3]H[3]H3)(H[3]C[4x3,6])2(H)2{1|H<3>,2|C<3>,2|H<2>,5|H<1>}	51.5619	0.000	1	51.5619	0.000	1	51.5619	0.000	1	51.5619	0.000	1	51.5619	0.000	1	60.0000	52.494	21
238	238	238	3:SPD7_SPD7_SPD7	C[3x3]	C[4x3]	C[4x3]	7:7:3:2:2:1:1:	7:7:2:2:2:1:1:	7:7:2:2:2:1:1:	C[4x3]-7:C[4x3]-7:C[6a]-3:H[3]-2:H[3]-2:H-1:H-1:	C[3x3]-7:C[4x3]-7:H[3]-2:H[3]-2:H[3]-2:H-1:H-1:	C[3x3]-7:C[4x3]-7:H[3]-2:H[3]-2:H[3]-2:H-1:H-1:	C[3x3](C[4x3]C[4x3]H[3]3HH)2(C[6a]C[6a]2)(H[3]C[4x3])2(H)2	C[4x3](C[3x3]C[4x3]C[6a]H[3]2HH)(C[4x3]C[3x3]H[3]3HH)(H[3]C[3x3])(H[3]C[4x3])2(H)2	C[4x3](C[3x3]C[4x3]C[6a]H[3]2HH)(C[4x3]C[3x3]H[3]3HH)(H[3]C[3x3])(H[3]C[4x3])2(H)2	C[3x3](C[4x3]C[4x3]H[3]3HH)2(C[6a]C[6a]2)(H[3]C[4x3])2(H)2{1|H<1>,3|C<3>}	C[4x3](C[3x3]C[4x3]C[6a]H[3]2HH)(C[4x3]C[3x3]H[3]3HH)(H[3]C[3x3])(H[3]C[4x3])2(H)2{2|C<3>}	C[4x3](C[3x3]C[4x3]C[6a]H[3]2HH)(C[4x3]C[3x3]H[3]3HH)(H[3]C[3x3])(H[3]C[4x3])2(H)2{2|C<3>}	54.2122	0.000	1	54.2122	0.000	1	54.2122	0.000	1	54.2122	0.000	1	54.2122	0.000	1	60.0000	52.494	21
238	238	238	3:SPD7_SPD7_SPD7	C[4x3,4,4]	C[4x3]	C[3,3,3x4]	7:8:7:7:5:4:3:	7:7:7:2:2:1:1:	7:7:3:2:2:1:1:	C[3,3,3x4]-7:C[5x3]-8:C[4x3]-7:C[4x3]-7:C[3x3]-5:C[3x4]-4:C[6a]-3:	C[4x3,4,4]-7:C[3,3,3x4]-7:C[4x3]-7:H[3]-2:H[3]-2:H-1:H-1:	C[4x3,4,4]-7:C[4x3]-7:H[3,4,4]-3:H[3]-2:H[4,4]-2:H-1:H-1:	C[4x3,4,4](C[3,3,3x4]H[3,4,4]C[4x3]H[4,4]H[3]HH)(C[5x3]C[3x3]C[4x3]H[3,3]H[3]2HH)(C[4x3]C[3,3,3x4]C[4x3]H[3]2HH)(C[4x3]C[4x3]C[5x3]H[3]2HH)(C[3x3]C[5x3]H[3,3]H[3]H)(C[3x4]H[3,4,4]H[4,4]H)(C[6a]C[6a]2)	C[4x3](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]C[5x3]C[6a])(C[3,3,3x4]C[4x3,4,4]H[3,4,4]H[4,4]H[3]HH)(C[4x3]C[4x3,4,4]C[5x3]H[3]2HH)(H[3]C[4x3])2(H)2	C[3,3,3x4](C[4x3,4,4]C[3x3]C[3x4]C[4x3]2C[5x3]C[6a])(C[4x3]C[4x3,4,4]C[4x3]H[3]2HH)(H[3,4,4]C[3x4]H[3])(H[3]H[3,4,4])(H[4,4]C[3x4])(H)2	C[4x3,4,4](C[3,3,3x4]H[3,4,4]C[4x3]H[4,4]H[3]HH)(C[5x3]C[3x3]C[4x3]H[3,3]H[3]2HH)(C[4x3]C[3,3,3x4]C[4x3]H[3]2HH)(C[4x3]C[4x3]C[5x3]H[3]2HH)(C[3x3]C[5x3]H[3,3]H[3]H)(C[3x4]H[3,4,4]H[4,4]H)(C[6a]C[6a]2){2|C<3>,2|H<1>}	C[4x3](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]C[5x3]C[6a])(C[3,3,3x4]C[4x3,4,4]H[3,4,4]H[4,4]H[3]HH)(C[4x3]C[4x3,4,4]C[5x3]H[3]2HH)(H[3]C[4x3])2(H)2{1|H<3>,2|C<3>,2|H<2>,4|H<1>}	C[3,3,3x4](C[4x3,4,4]C[3x3]C[3x4]C[4x3]2C[5x3]C[6a])(C[4x3]C[4x3,4,4]C[4x3]H[3]2HH)(H[3,4,4]C[3x4]H[3])(H[3]H[3,4,4])(H[4,4]C[3x4])(H)2{1|H<3>,2|C<3>,2|H<2>,6|H<1>}	63.7171	0.000	1	63.7171	0.000	1	63.7171	0.000	1	63.7171	0.000	1	63.7171	0.000	1	60.0000	52.494	21
238	238	238	3:SPD7_SPD7_SPD7	C[4x3,4,4]	C[4x3]	C[4x3]	7:8:7:7:5:4:3:	7:7:7:2:2:1:1:	7:8:7:2:2:1:1:	C[3,3,3x4]-7:C[5x3]-8:C[4x3]-7:C[4x3]-7:C[3x3]-5:C[3x4]-4:C[6a]-3:	C[4x3,4,4]-7:C[3,3,3x4]-7:C[4x3]-7:H[3]-2:H[3]-2:H-1:H-1:	C[4x3,4,4]-7:C[5x3]-8:C[4x3]-7:H[3]-2:H[3]-2:H-1:H-1:	C[4x3,4,4](C[3,3,3x4]H[3,4,4]C[4x3]H[4,4]H[3]HH)(C[5x3]C[3x3]C[4x3]H[3,3]H[3]2HH)(C[4x3]C[3,3,3x4]C[4x3]H[3]2HH)(C[4x3]C[4x3]C[5x3]H[3]2HH)(C[3x3]C[5x3]H[3,3]H[3]H)(C[3x4]H[3,4,4]H[4,4]H)(C[6a]C[6a]2)	C[4x3](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]C[5x3]C[6a])(C[3,3,3x4]C[4x3,4,4]H[3,4,4]H[4,4]H[3]HH)(C[4x3]C[4x3,4,4]C[5x3]H[3]2HH)(H[3]C[4x3])2(H)2	C[4x3](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]C[5x3]C[6a])(C[5x3]C[4x3,4,4]C[3x3]H[3,3]H[3]2HH)(C[4x3]C[3,3,3x4]C[4x3,4,4]H[3]2HH)(H[3]C[4x3])2(H)2	C[4x3,4,4](C[3,3,3x4]H[3,4,4]C[4x3]H[4,4]H[3]HH)(C[5x3]C[3x3]C[4x3]H[3,3]H[3]2HH)(C[4x3]C[3,3,3x4]C[4x3]H[3]2HH)(C[4x3]C[4x3]C[5x3]H[3]2HH)(C[3x3]C[5x3]H[3,3]H[3]H)(C[3x4]H[3,4,4]H[4,4]H)(C[6a]C[6a]2){2|C<3>,2|H<1>}	C[4x3](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]C[5x3]C[6a])(C[3,3,3x4]C[4x3,4,4]H[3,4,4]H[4,4]H[3]HH)(C[4x3]C[4x3,4,4]C[5x3]H[3]2HH)(H[3]C[4x3])2(H)2{1|H<3>,2|C<3>,2|H<2>,4|H<1>}	C[4x3](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]C[5x3]C[6a])(C[5x3]C[4x3,4,4]C[3x3]H[3,3]H[3]2HH)(C[4x3]C[3,3,3x4]C[4x3,4,4]H[3]2HH)(H[3]C[4x3])2(H)2{1|H<3>,2|C<3>,2|H<2>,4|H<1>}	49.4247	0.000	1	49.4247	0.000	1	49.4247	0.000	1	49.4247	0.000	1	49.4247	0.000	1	60.0000	52.494	21
238	238	238	3:SPD7_SPD7_SPD7	C[4x3,4,6]	C[4x3,4,6]	C[6x3]	7:7:6:3:2:2:1:	7:7:6:3:2:2:1:	7:7:6:6:6:6:3:	C[6x3]-7:C[4x3,4,6]-7:C[3x3,4,6]-6:H[3,3]-3:H[3]-2:H[4]-2:H-1:	C[6x3]-7:C[4x3,4,6]-7:C[3x3,4,6]-6:H[3,3]-3:H[3]-2:H[4]-2:H-1:	C[4x3,4,6]-7:C[4x3,4,6]-7:C[3x3,4,6]-6:C[3x3,4,6]-6:C[3,3,4,4,6]-6:C[3,3,4,4,6]-6:C[6]-3:	C[4x3,4,6](C[6x3]C[3,3,4,4,6]2C[3x3,4,6]2C[4x3,4,6]C[6])(C[4x3,4,6]C[3x3,4,6]C[6x3]H[3,3]H[3]H[4]H)(C[3x3,4,6]C[3,3,4,4,6]C[6x3]H[3,3]H[4]H)(H[3,3]C[3x3,4,6]H[3])(H[3]H[3,3])(H[4]H[4])(H)	C[4x3,4,6](C[6x3]C[3,3,4,4,6]2C[3x3,4,6]2C[4x3,4,6]C[6])(C[4x3,4,6]C[3x3,4,6]C[6x3]H[3,3]H[3]H[4]H)(C[3x3,4,6]C[3,3,4,4,6]C[6x3]H[3,3]H[4]H)(H[3,3]C[3x3,4,6]H[3])(H[3]H[3,3])(H[4]H[4])(H)	C[6x3](C[4x3,4,6]C[3x3,4,6]C[4x3,4,6]H[3,3]H[3]H[4]H)2(C[3x3,4,6]C[3,3,4,4,6]C[4x3,4,6]H[3,3]H[4]H)2(C[3,3,4,4,6]C[3,3,4,4,6]C[3x3,4,6]H[4]2H)2(C[6]C[6]2)	C[4x3,4,6](C[6x3]C[3,3,4,4,6]2C[3x3,4,6]2C[4x3,4,6]C[6])(C[4x3,4,6]C[3x3,4,6]C[6x3]H[3,3]H[3]H[4]H)(C[3x3,4,6]C[3,3,4,4,6]C[6x3]H[3,3]H[4]H)(H[3,3]C[3x3,4,6]H[3])(H[3]H[3,3])(H[4]H[4])(H){2|C<3>,3|H<1>,5|H<2>}	C[4x3,4,6](C[6x3]C[3,3,4,4,6]2C[3x3,4,6]2C[4x3,4,6]C[6])(C[4x3,4,6]C[3x3,4,6]C[6x3]H[3,3]H[3]H[4]H)(C[3x3,4,6]C[3,3,4,4,6]C[6x3]H[3,3]H[4]H)(H[3,3]C[3x3,4,6]H[3])(H[3]H[3,3])(H[4]H[4])(H){2|C<3>,3|H<1>,5|H<2>}	C[6x3](C[4x3,4,6]C[3x3,4,6]C[4x3,4,6]H[3,3]H[3]H[4]H)2(C[3x3,4,6]C[3,3,4,4,6]C[4x3,4,6]H[3,3]H[4]H)2(C[3,3,4,4,6]C[3,3,4,4,6]C[3x3,4,6]H[4]2H)2(C[6]C[6]2){2|C<3>,2|H<1>}	60.0961	1.084	2	60.0961	1.176	2	60.0961	1.176	2	60.0961	1.176	2	60.0961	1.176	2	60.0000	52.494	21
238	238	238	3:SPD7_SPD7_SPD7	C[4x3,6]	C[6x3]	C[3x3,6]	7:7:7:2:2:1:1:	8:6:7:7:6:7:3:	7:7:6:2:1:1:1:	C[6x3]-7:C[4x3,6]-7:C[3x3,6]-7:H[3]-2:H[3]-2:H-1:H-1:	C[5x3,6]-8:C[3x3,6]-6:C[4x3,6]-7:C[4x3,6]-7:C[4x3,6]-6:C[3x3,6]-7:C[6a]-3:	C[6x3]-7:C[4x3,6]-7:C[4x3,6]-6:H[3]-2:H-1:H-1:H-1:	C[4x3,6](C[6x3]C[3x3,6]2C[4x3,6]2C[5x3,6]C[6a])(C[4x3,6]C[3x3,6]C[6x3]H[3]2HH)(C[3x3,6]C[4x3,6]C[6x3]H[3]H3)(H[3]C[4x3,6])2(H)2	C[6x3](C[5x3,6]C[3x3,6]C[4x3,6]H[3,3]H[3]2HH)(C[3x3,6]C[4x3,6]C[5x3,6]H[3,3]HH)(C[4x3,6]C[3x3,6]C[4x3,6]H[3]2HH)2(C[4x3,6]C[3x3,6]C[5x3,6]H[3]2H)(C[3x3,6]C[4x3,6]2H[3]H3)(C[6a]C[6a]2)	C[3x3,6](C[6x3]C[3x3,6]C[4x3,6]3C[5x3,6]C[6a])(C[4x3,6]C[4x3,6]C[6x3]H[3]2HH)(C[4x3,6]C[5x3,6]C[6x3]H[3]2H)(H[3]C[4x3,6])(H)3	C[4x3,6](C[6x3]C[3x3,6]2C[4x3,6]2C[5x3,6]C[6a])(C[4x3,6]C[3x3,6]C[6x3]H[3]2HH)(C[3x3,6]C[4x3,6]C[6x3]H[3]H3)(H[3]C[4x3,6])2(H)2{1|H<3>,2|C<3>,2|H<2>,5|H<1>}	C[6x3](C[5x3,6]C[3x3,6]C[4x3,6]H[3,3]H[3]2HH)(C[3x3,6]C[4x3,6]C[5x3,6]H[3,3]HH)(C[4x3,6]C[3x3,6]C[4x3,6]H[3]2HH)2(C[4x3,6]C[3x3,6]C[5x3,6]H[3]2H)(C[3x3,6]C[4x3,6]2H[3]H3)(C[6a]C[6a]2){2|C<3>,2|H<1>}	C[3x3,6](C[6x3]C[3x3,6]C[4x3,6]3C[5x3,6]C[6a])(C[4x3,6]C[4x3,6]C[6x3]H[3]2HH)(C[4x3,6]C[5x3,6]C[6x3]H[3]2H)(H[3]C[4x3,6])(H)3{1|H<2>,1|H<3>,2|C<3>,6|H<1>}	64.0257	0.000	1	64.0257	0.000	1	64.0257	0.000	1	64.0257	0.000	1	64.0257	0.000	1	60.0000	52.494	21
238	238	238	3:SPD7_SPD7_SPD7	C[4x3,6]	C[6x3]	C[4x3,6]	7:6:7:2:2:1:1:	8:6:7:7:6:7:3:	7:7:7:2:2:1:1:	C[6x3]-7:C[3x3,6]-6:C[4x3,6]-7:H[3]-2:H[3]-2:H-1:H-1:	C[5x3,6]-8:C[3x3,6]-6:C[4x3,6]-7:C[4x3,6]-7:C[4x3,6]-6:C[3x3,6]-7:C[6a]-3:	C[6x3]-7:C[4x3,6]-7:C[3x3,6]-7:H[3]-2:H[3]-2:H-1:H-1:	C[4x3,6](C[6x3]C[3x3,6]2C[4x3,6]2C[5x3,6]C[6a])(C[3x3,6]C[5x3,6]C[6x3]H[3,3]HH)(C[4x3,6]C[3x3,6]C[6x3]H[3]2HH)(H[3]C[4x3,6])2(H)2	C[6x3](C[5x3,6]C[3x3,6]C[4x3,6]H[3,3]H[3]2HH)(C[3x3,6]C[4x3,6]C[5x3,6]H[3,3]HH)(C[4x3,6]C[3x3,6]C[4x3,6]H[3]2HH)2(C[4x3,6]C[3x3,6]C[5x3,6]H[3]2H)(C[3x3,6]C[4x3,6]2H[3]H3)(C[6a]C[6a]2)	C[4x3,6](C[6x3]C[3x3,6]2C[4x3,6]2C[5x3,6]C[6a])(C[4x3,6]C[3x3,6]C[6x3]H[3]2HH)(C[3x3,6]C[4x3,6]C[6x3]H[3]H3)(H[3]C[4x3,6])2(H)2	C[4x3,6](C[6x3]C[3x3,6]2C[4x3,6]2C[5x3,6]C[6a])(C[3x3,6]C[5x3,6]C[6x3]H[3,3]HH)(C[4x3,6]C[3x3,6]C[6x3]H[3]2HH)(H[3]C[4x3,6])2(H)2{2|C<3>,3|H<2>,6|H<1>}	C[6x3](C[5x3,6]C[3x3,6]C[4x3,6]H[3,3]H[3]2HH)(C[3x3,6]C[4x3,6]C[5x3,6]H[3,3]HH)(C[4x3,6]C[3x3,6]C[4x3,6]H[3]2HH)2(C[4x3,6]C[3x3,6]C[5x3,6]H[3]2H)(C[3x3,6]C[4x3,6]2H[3]H3)(C[6a]C[6a]2){2|C<3>,2|H<1>}	C[4x3,6](C[6x3]C[3x3,6]2C[4x3,6]2C[5x3,6]C[6a])(C[4x3,6]C[3x3,6]C[6x3]H[3]2HH)(C[3x3,6]C[4x3,6]C[6x3]H[3]H3)(H[3]C[4x3,6])2(H)2{1|H<3>,2|C<3>,2|H<2>,5|H<1>}	63.2955	0.000	1	63.2955	0.000	1	63.2955	0.000	1	63.2955	0.000	1	69.6876	81.718	2	60.0000	52.494	21
238	238	238	3:SPD7_SPD7_SPD7	C[4x3,6]	C[6x3]	C[4x3,6]	7:7:7:2:2:1:1:	8:6:7:7:6:7:3:	7:6:7:2:2:1:1:	C[6x3]-7:C[4x3,6]-7:C[3x3,6]-7:H[3]-2:H[3]-2:H-1:H-1:	C[5x3,6]-8:C[3x3,6]-6:C[4x3,6]-7:C[4x3,6]-7:C[4x3,6]-6:C[3x3,6]-7:C[6a]-3:	C[6x3]-7:C[3x3,6]-6:C[4x3,6]-7:H[3]-2:H[3]-2:H-1:H-1:	C[4x3,6](C[6x3]C[3x3,6]2C[4x3,6]2C[5x3,6]C[6a])(C[4x3,6]C[3x3,6]C[6x3]H[3]2HH)(C[3x3,6]C[4x3,6]C[6x3]H[3]H3)(H[3]C[4x3,6])2(H)2	C[6x3](C[5x3,6]C[3x3,6]C[4x3,6]H[3,3]H[3]2HH)(C[3x3,6]C[4x3,6]C[5x3,6]H[3,3]HH)(C[4x3,6]C[3x3,6]C[4x3,6]H[3]2HH)2(C[4x3,6]C[3x3,6]C[5x3,6]H[3]2H)(C[3x3,6]C[4x3,6]2H[3]H3)(C[6a]C[6a]2)	C[4x3,6](C[6x3]C[3x3,6]2C[4x3,6]2C[5x3,6]C[6a])(C[3x3,6]C[5x3,6]C[6x3]H[3,3]HH)(C[4x3,6]C[3x3,6]C[6x3]H[3]2HH)(H[3]C[4x3,6])2(H)2	C[4x3,6](C[6x3]C[3x3,6]2C[4x3,6]2C[5x3,6]C[6a])(C[4x3,6]C[3x3,6]C[6x3]H[3]2HH)(C[3x3,6]C[4x3,6]C[6x3]H[3]H3)(H[3]C[4x3,6])2(H)2{1|H<3>,2|C<3>,2|H<2>,5|H<1>}	C[6x3](C[5x3,6]C[3x3,6]C[4x3,6]H[3,3]H[3]2HH)(C[3x3,6]C[4x3,6]C[5x3,6]H[3,3]HH)(C[4x3,6]C[3x3,6]C[4x3,6]H[3]2HH)2(C[4x3,6]C[3x3,6]C[5x3,6]H[3]2H)(C[3x3,6]C[4x3,6]2H[3]H3)(C[6a]C[6a]2){2|C<3>,2|H<1>}	C[4x3,6](C[6x3]C[3x3,6]2C[4x3,6]2C[5x3,6]C[6a])(C[3x3,6]C[5x3,6]C[6x3]H[3,3]HH)(C[4x3,6]C[3x3,6]C[6x3]H[3]2HH)(H[3]C[4x3,6])2(H)2{2|C<3>,3|H<2>,6|H<1>}	76.0797	0.000	1	76.0797	0.000	1	76.0797	0.000	1	76.0797	0.000	1	69.6876	81.718	2	60.0000	52.494	21
238	238	238	3:SPD7_SPD7_SPD7	C[4x3]	C[4x3,4,4]	C[3,3,3x4]	7:7:7:2:2:1:1:	7:8:7:7:5:4:3:	7:7:3:2:2:1:1:	C[4x3,4,4]-7:C[3,3,3x4]-7:C[4x3]-7:H[3]-2:H[3]-2:H-1:H-1:	C[3,3,3x4]-7:C[5x3]-8:C[4x3]-7:C[4x3]-7:C[3x3]-5:C[3x4]-4:C[6a]-3:	C[4x3,4,4]-7:C[4x3]-7:H[3,4,4]-3:H[3]-2:H[4,4]-2:H-1:H-1:	C[4x3](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]C[5x3]C[6a])(C[3,3,3x4]C[4x3,4,4]H[3,4,4]H[4,4]H[3]HH)(C[4x3]C[4x3,4,4]C[5x3]H[3]2HH)(H[3]C[4x3])2(H)2	C[4x3,4,4](C[3,3,3x4]H[3,4,4]C[4x3]H[4,4]H[3]HH)(C[5x3]C[3x3]C[4x3]H[3,3]H[3]2HH)(C[4x3]C[3,3,3x4]C[4x3]H[3]2HH)(C[4x3]C[4x3]C[5x3]H[3]2HH)(C[3x3]C[5x3]H[3,3]H[3]H)(C[3x4]H[3,4,4]H[4,4]H)(C[6a]C[6a]2)	C[3,3,3x4](C[4x3,4,4]C[3x3]C[3x4]C[4x3]2C[5x3]C[6a])(C[4x3]C[4x3,4,4]C[4x3]H[3]2HH)(H[3,4,4]C[3x4]H[3])(H[3]H[3,4,4])(H[4,4]C[3x4])(H)2	C[4x3](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]C[5x3]C[6a])(C[3,3,3x4]C[4x3,4,4]H[3,4,4]H[4,4]H[3]HH)(C[4x3]C[4x3,4,4]C[5x3]H[3]2HH)(H[3]C[4x3])2(H)2{1|H<3>,2|C<3>,2|H<2>,4|H<1>}	C[4x3,4,4](C[3,3,3x4]H[3,4,4]C[4x3]H[4,4]H[3]HH)(C[5x3]C[3x3]C[4x3]H[3,3]H[3]2HH)(C[4x3]C[3,3,3x4]C[4x3]H[3]2HH)(C[4x3]C[4x3]C[5x3]H[3]2HH)(C[3x3]C[5x3]H[3,3]H[3]H)(C[3x4]H[3,4,4]H[4,4]H)(C[6a]C[6a]2){2|C<3>,2|H<1>}	C[3,3,3x4](C[4x3,4,4]C[3x3]C[3x4]C[4x3]2C[5x3]C[6a])(C[4x3]C[4x3,4,4]C[4x3]H[3]2HH)(H[3,4,4]C[3x4]H[3])(H[3]H[3,4,4])(H[4,4]C[3x4])(H)2{1|H<3>,2|C<3>,2|H<2>,6|H<1>}	54.7227	0.000	1	54.7227	0.000	1	54.7227	0.000	1	54.7227	0.000	1	54.7227	0.000	1	60.0000	52.494	21
238	238	238	3:SPD7_SPD7_SPD7	C[4x3]	C[4x3,4,4]	C[4x3]	7:7:7:2:2:1:1:	7:8:7:7:5:4:3:	7:8:7:2:2:1:1:	C[4x3,4,4]-7:C[3,3,3x4]-7:C[4x3]-7:H[3]-2:H[3]-2:H-1:H-1:	C[3,3,3x4]-7:C[5x3]-8:C[4x3]-7:C[4x3]-7:C[3x3]-5:C[3x4]-4:C[6a]-3:	C[4x3,4,4]-7:C[5x3]-8:C[4x3]-7:H[3]-2:H[3]-2:H-1:H-1:	C[4x3](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]C[5x3]C[6a])(C[3,3,3x4]C[4x3,4,4]H[3,4,4]H[4,4]H[3]HH)(C[4x3]C[4x3,4,4]C[5x3]H[3]2HH)(H[3]C[4x3])2(H)2	C[4x3,4,4](C[3,3,3x4]H[3,4,4]C[4x3]H[4,4]H[3]HH)(C[5x3]C[3x3]C[4x3]H[3,3]H[3]2HH)(C[4x3]C[3,3,3x4]C[4x3]H[3]2HH)(C[4x3]C[4x3]C[5x3]H[3]2HH)(C[3x3]C[5x3]H[3,3]H[3]H)(C[3x4]H[3,4,4]H[4,4]H)(C[6a]C[6a]2)	C[4x3](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]C[5x3]C[6a])(C[5x3]C[4x3,4,4]C[3x3]H[3,3]H[3]2HH)(C[4x3]C[3,3,3x4]C[4x3,4,4]H[3]2HH)(H[3]C[4x3])2(H)2	C[4x3](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]C[5x3]C[6a])(C[3,3,3x4]C[4x3,4,4]H[3,4,4]H[4,4]H[3]HH)(C[4x3]C[4x3,4,4]C[5x3]H[3]2HH)(H[3]C[4x3])2(H)2{1|H<3>,2|C<3>,2|H<2>,4|H<1>}	C[4x3,4,4](C[3,3,3x4]H[3,4,4]C[4x3]H[4,4]H[3]HH)(C[5x3]C[3x3]C[4x3]H[3,3]H[3]2HH)(C[4x3]C[3,3,3x4]C[4x3]H[3]2HH)(C[4x3]C[4x3]C[5x3]H[3]2HH)(C[3x3]C[5x3]H[3,3]H[3]H)(C[3x4]H[3,4,4]H[4,4]H)(C[6a]C[6a]2){2|C<3>,2|H<1>}	C[4x3](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]C[5x3]C[6a])(C[5x3]C[4x3,4,4]C[3x3]H[3,3]H[3]2HH)(C[4x3]C[3,3,3x4]C[4x3,4,4]H[3]2HH)(H[3]C[4x3])2(H)2{1|H<3>,2|C<3>,2|H<2>,4|H<1>}	62.8423	0.000	1	62.8423	0.000	1	62.8423	0.000	1	62.8423	0.000	1	65.2876	11.959	2	60.0000	52.494	21
238	238	238	3:SPD7_SPD7_SPD7	C[4x3]	C[4x3,4,4]	C[4x3]	7:8:7:2:2:1:1:	7:8:7:7:5:4:3:	7:7:7:2:2:1:1:	C[4x3,4,4]-7:C[5x3]-8:C[4x3]-7:H[3]-2:H[3]-2:H-1:H-1:	C[3,3,3x4]-7:C[5x3]-8:C[4x3]-7:C[4x3]-7:C[3x3]-5:C[3x4]-4:C[6a]-3:	C[4x3,4,4]-7:C[3,3,3x4]-7:C[4x3]-7:H[3]-2:H[3]-2:H-1:H-1:	C[4x3](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]C[5x3]C[6a])(C[5x3]C[4x3,4,4]C[3x3]H[3,3]H[3]2HH)(C[4x3]C[3,3,3x4]C[4x3,4,4]H[3]2HH)(H[3]C[4x3])2(H)2	C[4x3,4,4](C[3,3,3x4]H[3,4,4]C[4x3]H[4,4]H[3]HH)(C[5x3]C[3x3]C[4x3]H[3,3]H[3]2HH)(C[4x3]C[3,3,3x4]C[4x3]H[3]2HH)(C[4x3]C[4x3]C[5x3]H[3]2HH)(C[3x3]C[5x3]H[3,3]H[3]H)(C[3x4]H[3,4,4]H[4,4]H)(C[6a]C[6a]2)	C[4x3](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]C[5x3]C[6a])(C[3,3,3x4]C[4x3,4,4]H[3,4,4]H[4,4]H[3]HH)(C[4x3]C[4x3,4,4]C[5x3]H[3]2HH)(H[3]C[4x3])2(H)2	C[4x3](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]C[5x3]C[6a])(C[5x3]C[4x3,4,4]C[3x3]H[3,3]H[3]2HH)(C[4x3]C[3,3,3x4]C[4x3,4,4]H[3]2HH)(H[3]C[4x3])2(H)2{1|H<3>,2|C<3>,2|H<2>,4|H<1>}	C[4x3,4,4](C[3,3,3x4]H[3,4,4]C[4x3]H[4,4]H[3]HH)(C[5x3]C[3x3]C[4x3]H[3,3]H[3]2HH)(C[4x3]C[3,3,3x4]C[4x3]H[3]2HH)(C[4x3]C[4x3]C[5x3]H[3]2HH)(C[3x3]C[5x3]H[3,3]H[3]H)(C[3x4]H[3,4,4]H[4,4]H)(C[6a]C[6a]2){2|C<3>,2|H<1>}	C[4x3](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]C[5x3]C[6a])(C[3,3,3x4]C[4x3,4,4]H[3,4,4]H[4,4]H[3]HH)(C[4x3]C[4x3,4,4]C[5x3]H[3]2HH)(H[3]C[4x3])2(H)2{1|H<3>,2|C<3>,2|H<2>,4|H<1>}	67.7330	0.000	1	67.7330	0.000	1	67.7330	0.000	1	67.7330	0.000	1	65.2876	11.959	2	60.0000	52.494	21
238	238	238	3:SPD7_SPD7_SPD7	C[4x3]	C[4x3]	C[3x3,3x4]	7:7:6:2:2:1:1:	7:7:6:2:2:1:1:	6:7:7:5:6:6:3:	C[3x3,3x4]-7:C[4x3]-7:C[3x3]-6:H[3]-2:H[3]-2:H-1:H-1:	C[3x3,3x4]-7:C[4x3]-7:C[3x3]-6:H[3]-2:H[3]-2:H-1:H-1:	C[3,6x4]-6:C[4x3]-7:C[4x3]-7:C[6x4]-5:C[3x3]-6:C[3x3]-6:C[6a]-3:	C[4x3](C[3x3,3x4]C[3,6x4]C[3x3]2C[4x3]C[6x4]C[6a])(C[4x3]C[3x3,3x4]C[3x3]H[3]2HH)(C[3x3]C[3x3,3x4]H[3]2HH)(H[3]C[3x3])2(H)2	C[4x3](C[3x3,3x4]C[3,6x4]C[3x3]2C[4x3]C[6x4]C[6a])(C[4x3]C[3x3,3x4]C[3x3]H[3]2HH)(C[3x3]C[3x3,3x4]H[3]2HH)(H[3]C[3x3])2(H)2	C[3x3,3x4](C[3,6x4]H[3,3x4]H[3x4]2H[3]H)(C[4x3]C[3x3]C[4x3]H[3]2HH)2(C[6x4]H[3,3x4]H[3x4]2H)(C[3x3]C[4x3]H[3]2HH)2(C[6a]C[6a]2)	C[4x3](C[3x3,3x4]C[3,6x4]C[3x3]2C[4x3]C[6x4]C[6a])(C[4x3]C[3x3,3x4]C[3x3]H[3]2HH)(C[3x3]C[3x3,3x4]H[3]2HH)(H[3]C[3x3])2(H)2{1|H<3>,2|C<3>,3|H<2>,4|H<1>}	C[4x3](C[3x3,3x4]C[3,6x4]C[3x3]2C[4x3]C[6x4]C[6a])(C[4x3]C[3x3,3x4]C[3x3]H[3]2HH)(C[3x3]C[3x3,3x4]H[3]2HH)(H[3]C[3x3])2(H)2{1|H<3>,2|C<3>,3|H<2>,4|H<1>}	C[3x3,3x4](C[3,6x4]H[3,3x4]H[3x4]2H[3]H)(C[4x3]C[3x3]C[4x3]H[3]2HH)2(C[6x4]H[3,3x4]H[3x4]2H)(C[3x3]C[4x3]H[3]2HH)2(C[6a]C[6a]2){2|C<3>,2|H<1>}	58.4667	0.987	2	58.4667	0.974	2	58.4667	0.974	2	58.4667	0.974	2	58.4667	0.974	2	60.0000	52.494	21
238	238	238	3:SPD7_SPD7_SPD7	C[4x3]	C[4x3]	C[3x3]	7:7:2:2:2:1:1:	7:7:2:2:2:1:1:	7:7:3:2:2:1:1:	C[3x3]-7:C[4x3]-7:H[3]-2:H[3]-2:H[3]-2:H-1:H-1:	C[3x3]-7:C[4x3]-7:H[3]-2:H[3]-2:H[3]-2:H-1:H-1:	C[4x3]-7:C[4x3]-7:C[6a]-3:H[3]-2:H[3]-2:H-1:H-1:	C[4x3](C[3x3]C[4x3]C[6a]H[3]2HH)(C[4x3]C[3x3]H[3]3HH)(H[3]C[3x3])(H[3]C[4x3])2(H)2	C[4x3](C[3x3]C[4x3]C[6a]H[3]2HH)(C[4x3]C[3x3]H[3]3HH)(H[3]C[3x3])(H[3]C[4x3])2(H)2	C[3x3](C[4x3]C[4x3]H[3]3HH)2(C[6a]C[6a]2)(H[3]C[4x3])2(H)2	C[4x3](C[3x3]C[4x3]C[6a]H[3]2HH)(C[4x3]C[3x3]H[3]3HH)(H[3]C[3x3])(H[3]C[4x3])2(H)2{2|C<3>}	C[4x3](C[3x3]C[4x3]C[6a]H[3]2HH)(C[4x3]C[3x3]H[3]3HH)(H[3]C[3x3])(H[3]C[4x3])2(H)2{2|C<3>}	C[3x3](C[4x3]C[4x3]H[3]3HH)2(C[6a]C[6a]2)(H[3]C[4x3])2(H)2{1|H<1>,3|C<3>}	62.8939	2.795	2	62.8939	7.815	2	62.8939	7.815	2	62.8939	7.815	2	62.8939	7.815	2	60.0000	52.494	21
238	238	238	3:SPD7_SPD7_SPD7	C[6x3]	C[4x3,4,6]	C[4x3,4,6]	7:7:6:6:6:6:3:	7:7:6:3:2:2:1:	7:7:6:3:2:2:1:	C[4x3,4,6]-7:C[4x3,4,6]-7:C[3x3,4,6]-6:C[3x3,4,6]-6:C[3,3,4,4,6]-6:C[3,3,4,4,6]-6:C[6]-3:	C[6x3]-7:C[4x3,4,6]-7:C[3x3,4,6]-6:H[3,3]-3:H[3]-2:H[4]-2:H-1:	C[6x3]-7:C[4x3,4,6]-7:C[3x3,4,6]-6:H[3,3]-3:H[3]-2:H[4]-2:H-1:	C[6x3](C[4x3,4,6]C[3x3,4,6]C[4x3,4,6]H[3,3]H[3]H[4]H)2(C[3x3,4,6]C[3,3,4,4,6]C[4x3,4,6]H[3,3]H[4]H)2(C[3,3,4,4,6]C[3,3,4,4,6]C[3x3,4,6]H[4]2H)2(C[6]C[6]2)	C[4x3,4,6](C[6x3]C[3,3,4,4,6]2C[3x3,4,6]2C[4x3,4,6]C[6])(C[4x3,4,6]C[3x3,4,6]C[6x3]H[3,3]H[3]H[4]H)(C[3x3,4,6]C[3,3,4,4,6]C[6x3]H[3,3]H[4]H)(H[3,3]C[3x3,4,6]H[3])(H[3]H[3,3])(H[4]H[4])(H)	C[4x3,4,6](C[6x3]C[3,3,4,4,6]2C[3x3,4,6]2C[4x3,4,6]C[6])(C[4x3,4,6]C[3x3,4,6]C[6x3]H[3,3]H[3]H[4]H)(C[3x3,4,6]C[3,3,4,4,6]C[6x3]H[3,3]H[4]H)(H[3,3]C[3x3,4,6]H[3])(H[3]H[3,3])(H[4]H[4])(H)	C[6x3](C[4x3,4,6]C[3x3,4,6]C[4x3,4,6]H[3,3]H[3]H[4]H)2(C[3x3,4,6]C[3,3,4,4,6]C[4x3,4,6]H[3,3]H[4]H)2(C[3,3,4,4,6]C[3,3,4,4,6]C[3x3,4,6]H[4]2H)2(C[6]C[6]2){2|C<3>,2|H<1>}	C[4x3,4,6](C[6x3]C[3,3,4,4,6]2C[3x3,4,6]2C[4x3,4,6]C[6])(C[4x3,4,6]C[3x3,4,6]C[6x3]H[3,3]H[3]H[4]H)(C[3x3,4,6]C[3,3,4,4,6]C[6x3]H[3,3]H[4]H)(H[3,3]C[3x3,4,6]H[3])(H[3]H[3,3])(H[4]H[4])(H){2|C<3>,3|H<1>,5|H<2>}	C[4x3,4,6](C[6x3]C[3,3,4,4,6]2C[3x3,4,6]2C[4x3,4,6]C[6])(C[4x3,4,6]C[3x3,4,6]C[6x3]H[3,3]H[3]H[4]H)(C[3x3,4,6]C[3,3,4,4,6]C[6x3]H[3,3]H[4]H)(H[3,3]C[3x3,4,6]H[3])(H[3]H[3,3])(H[4]H[4])(H){2|C<3>,3|H<1>,5|H<2>}	59.8078	0.000	1	59.8078	0.000	1	59.8078	0.000	1	59.8078	0.000	1	59.8078	0.000	1	60.0000	52.494	21
238	238	238	3:SPD7_SPD7_SPD7	C[6x3]	C[4x3,6]	C[3x3,6]	8:6:7:7:6:7:3:	7:7:7:2:2:1:1:	7:7:6:2:1:1:1:	C[5x3,6]-8:C[3x3,6]-6:C[4x3,6]-7:C[4x3,6]-7:C[4x3,6]-6:C[3x3,6]-7:C[6a]-3:	C[6x3]-7:C[4x3,6]-7:C[3x3,6]-7:H[3]-2:H[3]-2:H-1:H-1:	C[6x3]-7:C[4x3,6]-7:C[4x3,6]-6:H[3]-2:H-1:H-1:H-1:	C[6x3](C[5x3,6]C[3x3,6]C[4x3,6]H[3,3]H[3]2HH)(C[3x3,6]C[4x3,6]C[5x3,6]H[3,3]HH)(C[4x3,6]C[3x3,6]C[4x3,6]H[3]2HH)2(C[4x3,6]C[3x3,6]C[5x3,6]H[3]2H)(C[3x3,6]C[4x3,6]2H[3]H3)(C[6a]C[6a]2)	C[4x3,6](C[6x3]C[3x3,6]2C[4x3,6]2C[5x3,6]C[6a])(C[4x3,6]C[3x3,6]C[6x3]H[3]2HH)(C[3x3,6]C[4x3,6]C[6x3]H[3]H3)(H[3]C[4x3,6])2(H)2	C[3x3,6](C[6x3]C[3x3,6]C[4x3,6]3C[5x3,6]C[6a])(C[4x3,6]C[4x3,6]C[6x3]H[3]2HH)(C[4x3,6]C[5x3,6]C[6x3]H[3]2H)(H[3]C[4x3,6])(H)3	C[6x3](C[5x3,6]C[3x3,6]C[4x3,6]H[3,3]H[3]2HH)(C[3x3,6]C[4x3,6]C[5x3,6]H[3,3]HH)(C[4x3,6]C[3x3,6]C[4x3,6]H[3]2HH)2(C[4x3,6]C[3x3,6]C[5x3,6]H[3]2H)(C[3x3,6]C[4x3,6]2H[3]H3)(C[6a]C[6a]2){2|C<3>,2|H<1>}	C[4x3,6](C[6x3]C[3x3,6]2C[4x3,6]2C[5x3,6]C[6a])(C[4x3,6]C[3x3,6]C[6x3]H[3]2HH)(C[3x3,6]C[4x3,6]C[6x3]H[3]H3)(H[3]C[4x3,6])2(H)2{1|H<3>,2|C<3>,2|H<2>,5|H<1>}	C[3x3,6](C[6x3]C[3x3,6]C[4x3,6]3C[5x3,6]C[6a])(C[4x3,6]C[4x3,6]C[6x3]H[3]2HH)(C[4x3,6]C[5x3,6]C[6x3]H[3]2H)(H[3]C[4x3,6])(H)3{1|H<2>,1|H<3>,2|C<3>,6|H<1>}	64.4124	0.000	1	64.4124	0.000	1	64.4124	0.000	1	64.4124	0.000	1	64.4124	0.000	1	60.0000	52.494	21
238	238	238	3:SPD7_SPD7_SPD7	C[6x3]	C[4x3,6]	C[4x3,6]	8:6:7:7:6:7:3:	7:7:7:2:2:1:1:	7:6:7:2:2:1:1:	C[5x3,6]-8:C[3x3,6]-6:C[4x3,6]-7:C[4x3,6]-7:C[4x3,6]-6:C[3x3,6]-7:C[6a]-3:	C[6x3]-7:C[4x3,6]-7:C[3x3,6]-7:H[3]-2:H[3]-2:H-1:H-1:	C[6x3]-7:C[3x3,6]-6:C[4x3,6]-7:H[3]-2:H[3]-2:H-1:H-1:	C[6x3](C[5x3,6]C[3x3,6]C[4x3,6]H[3,3]H[3]2HH)(C[3x3,6]C[4x3,6]C[5x3,6]H[3,3]HH)(C[4x3,6]C[3x3,6]C[4x3,6]H[3]2HH)2(C[4x3,6]C[3x3,6]C[5x3,6]H[3]2H)(C[3x3,6]C[4x3,6]2H[3]H3)(C[6a]C[6a]2)	C[4x3,6](C[6x3]C[3x3,6]2C[4x3,6]2C[5x3,6]C[6a])(C[4x3,6]C[3x3,6]C[6x3]H[3]2HH)(C[3x3,6]C[4x3,6]C[6x3]H[3]H3)(H[3]C[4x3,6])2(H)2	C[4x3,6](C[6x3]C[3x3,6]2C[4x3,6]2C[5x3,6]C[6a])(C[3x3,6]C[5x3,6]C[6x3]H[3,3]HH)(C[4x3,6]C[3x3,6]C[6x3]H[3]2HH)(H[3]C[4x3,6])2(H)2	C[6x3](C[5x3,6]C[3x3,6]C[4x3,6]H[3,3]H[3]2HH)(C[3x3,6]C[4x3,6]C[5x3,6]H[3,3]HH)(C[4x3,6]C[3x3,6]C[4x3,6]H[3]2HH)2(C[4x3,6]C[3x3,6]C[5x3,6]H[3]2H)(C[3x3,6]C[4x3,6]2H[3]H3)(C[6a]C[6a]2){2|C<3>,2|H<1>}	C[4x3,6](C[6x3]C[3x3,6]2C[4x3,6]2C[5x3,6]C[6a])(C[4x3,6]C[3x3,6]C[6x3]H[3]2HH)(C[3x3,6]C[4x3,6]C[6x3]H[3]H3)(H[3]C[4x3,6])2(H)2{1|H<3>,2|C<3>,2|H<2>,5|H<1>}	C[4x3,6](C[6x3]C[3x3,6]2C[4x3,6]2C[5x3,6]C[6a])(C[3x3,6]C[5x3,6]C[6x3]H[3,3]HH)(C[4x3,6]C[3x3,6]C[6x3]H[3]2HH)(H[3]C[4x3,6])2(H)2{2|C<3>,3|H<2>,6|H<1>}	40.6248	0.000	1	40.6248	0.000	1	40.6248	0.000	1	40.6248	0.000	1	40.6248	0.000	1	60.0000	52.494	21
238	238	238	6:SPD7_SPD7_SPD7	C[3x3,6]	C[5x3,6]	C[4x3,6]	7:7:7:2:1:1:1:	7:7:7:2:2:2:1:	7:7:7:2:2:1:1:	N[6x3]-7:C[5x3,6]-7:C[4x3,6]-7:H[3]-2:H-1:H-1:H-1:	N[6x3]-7:C[4x3,4,6]-7:C[3x3,6]-7:H[3]-2:H[3]-2:H[3]-2:H-1:	N[6x3]-7:C[4x3,6]-7:C[3x3,6]-7:H[3]-2:H[3]-2:H-1:H-1:	C[3x3,6](N[6x3]C[3,3,4,6]C[4x3,4,6]C[4x3,6]2C[5x3,6]Ru)(C[5x3,6]C[4x3,4,6]N[6x3]H[3]3H)(C[4x3,6]C[4x3,6]N[6x3]H[3]2HH)(H[3]C[5x3,6])(H)3	C[5x3,6](N[6x3]C[3,3,4,6]C[4x3,4,6]C[3x3,6]C[4x3,6]2Ru)(C[4x3,4,6]C[3,3,4,6]N[6x3]H[3]2H[4]H)(C[3x3,6]C[4x3,6]N[6x3]H[3]H3)(H[3]C[4x3,4,6])2(H[3]C[3x3,6])(H)	C[4x3,6](N[6x3]C[3,3,4,6]C[4x3,4,6]C[3x3,6]C[4x3,6]C[5x3,6]Ru)(C[4x3,6]C[3,3,4,6]N[6x3]H[3]2HH)(C[3x3,6]C[5x3,6]N[6x3]H[3]H3)(H[3]C[4x3,6])2(H)2	C[3x3,6](N[6x3]C[3,3,4,6]C[4x3,4,6]C[4x3,6]2C[5x3,6]Ru)(C[5x3,6]C[4x3,4,6]N[6x3]H[3]3H)(C[4x3,6]C[4x3,6]N[6x3]H[3]2HH)(H[3]C[5x3,6])(H)3{2|H<2>,5|H<1>}	C[5x3,6](N[6x3]C[3,3,4,6]C[4x3,4,6]C[3x3,6]C[4x3,6]2Ru)(C[4x3,4,6]C[3,3,4,6]N[6x3]H[3]2H[4]H)(C[3x3,6]C[4x3,6]N[6x3]H[3]H3)(H[3]C[4x3,4,6])2(H[3]C[3x3,6])(H){3|H<2>,6|H<1>}	C[4x3,6](N[6x3]C[3,3,4,6]C[4x3,4,6]C[3x3,6]C[4x3,6]C[5x3,6]Ru)(C[4x3,6]C[3,3,4,6]N[6x3]H[3]2HH)(C[3x3,6]C[5x3,6]N[6x3]H[3]H3)(H[3]C[4x3,6])2(H)2{4|H<1>,4|H<2>}	106.9640	0.000	1	106.9640	0.000	1	106.9640	0.000	1	106.9640	0.000	1	106.9640	0.000	1	123.7338	145.216	4
238	238	238	6:SPD7_SPD7_SPD7	C[4x3,6]	C[3x3,6]	C[4x3,6]	7:7:7:2:2:1:1:	7:7:6:2:1:1:1:	7:6:7:2:2:1:1:	C[6x3]-7:C[4x3,6]-7:C[3x3,6]-7:H[3]-2:H[3]-2:H-1:H-1:	C[6x3]-7:C[4x3,6]-7:C[4x3,6]-6:H[3]-2:H-1:H-1:H-1:	C[6x3]-7:C[3x3,6]-6:C[4x3,6]-7:H[3]-2:H[3]-2:H-1:H-1:	C[4x3,6](C[6x3]C[3x3,6]2C[4x3,6]2C[5x3,6]C[6a])(C[4x3,6]C[3x3,6]C[6x3]H[3]2HH)(C[3x3,6]C[4x3,6]C[6x3]H[3]H3)(H[3]C[4x3,6])2(H)2	C[3x3,6](C[6x3]C[3x3,6]C[4x3,6]3C[5x3,6]C[6a])(C[4x3,6]C[4x3,6]C[6x3]H[3]2HH)(C[4x3,6]C[5x3,6]C[6x3]H[3]2H)(H[3]C[4x3,6])(H)3	C[4x3,6](C[6x3]C[3x3,6]2C[4x3,6]2C[5x3,6]C[6a])(C[3x3,6]C[5x3,6]C[6x3]H[3,3]HH)(C[4x3,6]C[3x3,6]C[6x3]H[3]2HH)(H[3]C[4x3,6])2(H)2	C[4x3,6](C[6x3]C[3x3,6]2C[4x3,6]2C[5x3,6]C[6a])(C[4x3,6]C[3x3,6]C[6x3]H[3]2HH)(C[3x3,6]C[4x3,6]C[6x3]H[3]H3)(H[3]C[4x3,6])2(H)2{1|H<3>,2|C<3>,2|H<2>,5|H<1>}	C[3x3,6](C[6x3]C[3x3,6]C[4x3,6]3C[5x3,6]C[6a])(C[4x3,6]C[4x3,6]C[6x3]H[3]2HH)(C[4x3,6]C[5x3,6]C[6x3]H[3]2H)(H[3]C[4x3,6])(H)3{1|H<2>,1|H<3>,2|C<3>,6|H<1>}	C[4x3,6](C[6x3]C[3x3,6]2C[4x3,6]2C[5x3,6]C[6a])(C[3x3,6]C[5x3,6]C[6x3]H[3,3]HH)(C[4x3,6]C[3x3,6]C[6x3]H[3]2HH)(H[3]C[4x3,6])2(H)2{2|C<3>,3|H<2>,6|H<1>}	135.4360	0.000	1	135.4360	0.000	1	135.4360	0.000	1	135.4360	0.000	1	135.4360	0.000	1	123.7338	145.216	4
238	238	238	6:SPD7_SPD7_SPD7	C[4x3,6]	C[4x3,6]	C[3x3,6]	7:7:7:2:2:1:1:	7:6:7:2:2:1:1:	7:7:7:2:1:1:1:	N[6x3]-7:C[4x3,6]-7:C[3x3,6]-7:H[3]-2:H[3]-2:H-1:H-1:	N[6x3]-7:C[3,3,4,6]-6:C[4x3,6]-7:H[3]-2:H[3]-2:H-1:H-1:	N[6x3]-7:C[5x3,6]-7:C[4x3,6]-7:H[3]-2:H-1:H-1:H-1:	C[4x3,6](N[6x3]C[3,3,4,6]C[4x3,4,6]C[3x3,6]C[4x3,6]C[5x3,6]Ru)(C[4x3,6]C[3,3,4,6]N[6x3]H[3]2HH)(C[3x3,6]C[5x3,6]N[6x3]H[3]H3)(H[3]C[4x3,6])2(H)2	C[4x3,6](N[6x3]C[3,3,4,6]C[4x3,4,6]C[3x3,6]C[4x3,6]C[5x3,6]Ru)(C[3,3,4,6]C[4x3,4,6]N[6x3]H[4]HH)(C[4x3,6]C[3x3,6]N[6x3]H[3]2HH)(H[3]C[4x3,6])2(H)2	C[3x3,6](N[6x3]C[3,3,4,6]C[4x3,4,6]C[4x3,6]2C[5x3,6]Ru)(C[5x3,6]C[4x3,4,6]N[6x3]H[3]3H)(C[4x3,6]C[4x3,6]N[6x3]H[3]2HH)(H[3]C[5x3,6])(H)3	C[4x3,6](N[6x3]C[3,3,4,6]C[4x3,4,6]C[3x3,6]C[4x3,6]C[5x3,6]Ru)(C[4x3,6]C[3,3,4,6]N[6x3]H[3]2HH)(C[3x3,6]C[5x3,6]N[6x3]H[3]H3)(H[3]C[4x3,6])2(H)2{4|H<1>,4|H<2>}	C[4x3,6](N[6x3]C[3,3,4,6]C[4x3,4,6]C[3x3,6]C[4x3,6]C[5x3,6]Ru)(C[3,3,4,6]C[4x3,4,6]N[6x3]H[4]HH)(C[4x3,6]C[3x3,6]N[6x3]H[3]2HH)(H[3]C[4x3,6])2(H)2{4|H<2>,5|H<1>}	C[3x3,6](N[6x3]C[3,3,4,6]C[4x3,4,6]C[4x3,6]2C[5x3,6]Ru)(C[5x3,6]C[4x3,4,6]N[6x3]H[3]3H)(C[4x3,6]C[4x3,6]N[6x3]H[3]2HH)(H[3]C[5x3,6])(H)3{2|H<2>,5|H<1>}	124.7440	0.000	1	124.7440	0.000	1	124.7440	0.000	1	124.7440	0.000	1	124.7440	0.000	1	123.7338	145.216	4
238	238	238	6:SPD7_SPD7_SPD7	C[5x3,6]	C[4x3,4,6]	C[3x3,6]	7:7:7:2:2:2:1:	7:6:7:2:2:2:1:	7:7:7:2:1:1:1:	N[6x3]-7:C[4x3,4,6]-7:C[3x3,6]-7:H[3]-2:H[3]-2:H[3]-2:H-1:	N[6x3]-7:C[3,3,4,6]-6:C[5x3,6]-7:H[3]-2:H[3]-2:H[4]-2:H-1:	N[6x3]-7:C[5x3,6]-7:C[4x3,6]-7:H[3]-2:H-1:H-1:H-1:	C[5x3,6](N[6x3]C[3,3,4,6]C[4x3,4,6]C[3x3,6]C[4x3,6]2Ru)(C[4x3,4,6]C[3,3,4,6]N[6x3]H[3]2H[4]H)(C[3x3,6]C[4x3,6]N[6x3]H[3]H3)(H[3]C[4x3,4,6])2(H[3]C[3x3,6])(H)	C[4x3,4,6](N[6x3]C[3,3,4,6]C[3x3,6]C[4x3,6]2C[5x3,6]Ru)(C[3,3,4,6]C[4x3,6]N[6x3]H[4]HH)(C[5x3,6]C[3x3,6]N[6x3]H[3]3H)(H[3]C[5x3,6])2(H[4]H[4])(H)	C[3x3,6](N[6x3]C[3,3,4,6]C[4x3,4,6]C[4x3,6]2C[5x3,6]Ru)(C[5x3,6]C[4x3,4,6]N[6x3]H[3]3H)(C[4x3,6]C[4x3,6]N[6x3]H[3]2HH)(H[3]C[5x3,6])(H)3	C[5x3,6](N[6x3]C[3,3,4,6]C[4x3,4,6]C[3x3,6]C[4x3,6]2Ru)(C[4x3,4,6]C[3,3,4,6]N[6x3]H[3]2H[4]H)(C[3x3,6]C[4x3,6]N[6x3]H[3]H3)(H[3]C[4x3,4,6])2(H[3]C[3x3,6])(H){3|H<2>,6|H<1>}	C[4x3,4,6](N[6x3]C[3,3,4,6]C[3x3,6]C[4x3,6]2C[5x3,6]Ru)(C[3,3,4,6]C[4x3,6]N[6x3]H[4]HH)(C[5x3,6]C[3x3,6]N[6x3]H[3]3H)(H[3]C[5x3,6])2(H[4]H[4])(H){2|H<2>,7|H<1>}	C[3x3,6](N[6x3]C[3,3,4,6]C[4x3,4,6]C[4x3,6]2C[5x3,6]Ru)(C[5x3,6]C[4x3,4,6]N[6x3]H[3]3H)(C[4x3,6]C[4x3,6]N[6x3]H[3]2HH)(H[3]C[5x3,6])(H)3{2|H<2>,5|H<1>}	127.7910	0.000	1	127.7910	0.000	1	127.7910	0.000	1	127.7910	0.000	1	127.7910	0.000	1	123.7338	145.216	4
238	238	362	0:SPD7_SPD6_SPD7	C[3x3,3x4]	C[4x3]	C[3,6x4]	6:7:7:5:6:6:3:	7:7:6:2:2:1:1:	7:3:2:2:2:1:	C[3,6x4]-6:C[4x3]-7:C[4x3]-7:C[6x4]-5:C[3x3]-6:C[3x3]-6:C[6a]-3:	C[3x3,3x4]-7:C[4x3]-7:C[3x3]-6:H[3]-2:H[3]-2:H-1:H-1:	C[3x3,3x4]-7:H[3,3x4]-3:H[3]-2:H[3x4]-2:H[3x4]-2:H-1:	C[3x3,3x4](C[3,6x4]H[3,3x4]H[3x4]2H[3]H)(C[4x3]C[3x3]C[4x3]H[3]2HH)2(C[6x4]H[3,3x4]H[3x4]2H)(C[3x3]C[4x3]H[3]2HH)2(C[6a]C[6a]2)	C[4x3](C[3x3,3x4]C[3,6x4]C[3x3]2C[4x3]C[6x4]C[6a])(C[4x3]C[3x3,3x4]C[3x3]H[3]2HH)(C[3x3]C[3x3,3x4]H[3]2HH)(H[3]C[3x3])2(H)2	C[3,6x4](C[3x3,3x4]C[3x3]2C[4x3]2C[6x4]C[6a])(H[3,3x4]C[6x4]H[3])(H[3]H[3,3x4])(H[3x4]C[6x4])2(H)	C[3x3,3x4](C[3,6x4]H[3,3x4]H[3x4]2H[3]H)(C[4x3]C[3x3]C[4x3]H[3]2HH)2(C[6x4]H[3,3x4]H[3x4]2H)(C[3x3]C[4x3]H[3]2HH)2(C[6a]C[6a]2){2|C<3>,2|H<1>}	C[4x3](C[3x3,3x4]C[3,6x4]C[3x3]2C[4x3]C[6x4]C[6a])(C[4x3]C[3x3,3x4]C[3x3]H[3]2HH)(C[3x3]C[3x3,3x4]H[3]2HH)(H[3]C[3x3])2(H)2{1|H<3>,2|C<3>,3|H<2>,4|H<1>}	C[3,6x4](C[3x3,3x4]C[3x3]2C[4x3]2C[6x4]C[6a])(H[3,3x4]C[6x4]H[3])(H[3]H[3,3x4])(H[3x4]C[6x4])2(H){2|C<3>,4|H<2>,9|H<1>}	121.5385	13.423	2	121.5385	180.177	2	121.5385	180.177	2	121.5385	180.177	2	121.5385	180.177	2	120.1681	207.682	16
238	238	362	0:SPD7_SPD6_SPD7	C[3x3,3x4]	C[4x3]	C[3x3]	6:7:7:5:6:6:3:	7:7:6:2:2:1:1:	7:7:2:2:1:1:	C[3,6x4]-6:C[4x3]-7:C[4x3]-7:C[6x4]-5:C[3x3]-6:C[3x3]-6:C[6a]-3:	C[3x3,3x4]-7:C[4x3]-7:C[3x3]-6:H[3]-2:H[3]-2:H-1:H-1:	C[3x3,3x4]-7:C[4x3]-7:H[3]-2:H[3]-2:H-1:H-1:	C[3x3,3x4](C[3,6x4]H[3,3x4]H[3x4]2H[3]H)(C[4x3]C[3x3]C[4x3]H[3]2HH)2(C[6x4]H[3,3x4]H[3x4]2H)(C[3x3]C[4x3]H[3]2HH)2(C[6a]C[6a]2)	C[4x3](C[3x3,3x4]C[3,6x4]C[3x3]2C[4x3]C[6x4]C[6a])(C[4x3]C[3x3,3x4]C[3x3]H[3]2HH)(C[3x3]C[3x3,3x4]H[3]2HH)(H[3]C[3x3])2(H)2	C[3x3](C[3x3,3x4]C[3,6x4]C[3x3]C[4x3]2C[6x4]C[6a])(C[4x3]C[3x3,3x4]C[4x3]H[3]2HH)(H[3]C[4x3])2(H)2	C[3x3,3x4](C[3,6x4]H[3,3x4]H[3x4]2H[3]H)(C[4x3]C[3x3]C[4x3]H[3]2HH)2(C[6x4]H[3,3x4]H[3x4]2H)(C[3x3]C[4x3]H[3]2HH)2(C[6a]C[6a]2){2|C<3>,2|H<1>}	C[4x3](C[3x3,3x4]C[3,6x4]C[3x3]2C[4x3]C[6x4]C[6a])(C[4x3]C[3x3,3x4]C[3x3]H[3]2HH)(C[3x3]C[3x3,3x4]H[3]2HH)(H[3]C[3x3])2(H)2{1|H<3>,2|C<3>,3|H<2>,4|H<1>}	C[3x3](C[3x3,3x4]C[3,6x4]C[3x3]C[4x3]2C[6x4]C[6a])(C[4x3]C[3x3,3x4]C[4x3]H[3]2HH)(H[3]C[4x3])2(H)2{1|H<3>,2|C<3>,5|H<2>,6|H<1>}	105.8110	2.710	2	105.8110	7.342	2	105.8110	7.342	2	105.8110	7.342	2	105.8110	7.342	2	120.1681	207.682	16
238	238	362	0:SPD7_SPD6_SPD7	C[4x3]	C[4x3]	C[3x3]	7:7:6:2:2:1:1:	7:7:6:2:2:1:1:	7:7:2:2:1:1:	C[3x3,3x4]-7:C[4x3]-7:C[3x3]-6:H[3]-2:H[3]-2:H-1:H-1:	C[3x3,3x4]-7:C[4x3]-7:C[3x3]-6:H[3]-2:H[3]-2:H-1:H-1:	C[3x3,3x4]-7:C[4x3]-7:H[3]-2:H[3]-2:H-1:H-1:	C[4x3](C[3x3,3x4]C[3,6x4]C[3x3]2C[4x3]C[6x4]C[6a])(C[4x3]C[3x3,3x4]C[3x3]H[3]2HH)(C[3x3]C[3x3,3x4]H[3]2HH)(H[3]C[3x3])2(H)2	C[4x3](C[3x3,3x4]C[3,6x4]C[3x3]2C[4x3]C[6x4]C[6a])(C[4x3]C[3x3,3x4]C[3x3]H[3]2HH)(C[3x3]C[3x3,3x4]H[3]2HH)(H[3]C[3x3])2(H)2	C[3x3](C[3x3,3x4]C[3,6x4]C[3x3]C[4x3]2C[6x4]C[6a])(C[4x3]C[3x3,3x4]C[4x3]H[3]2HH)(H[3]C[4x3])2(H)2	C[4x3](C[3x3,3x4]C[3,6x4]C[3x3]2C[4x3]C[6x4]C[6a])(C[4x3]C[3x3,3x4]C[3x3]H[3]2HH)(C[3x3]C[3x3,3x4]H[3]2HH)(H[3]C[3x3])2(H)2{1|H<3>,2|C<3>,3|H<2>,4|H<1>}	C[4x3](C[3x3,3x4]C[3,6x4]C[3x3]2C[4x3]C[6x4]C[6a])(C[4x3]C[3x3,3x4]C[3x3]H[3]2HH)(C[3x3]C[3x3,3x4]H[3]2HH)(H[3]C[3x3])2(H)2{1|H<3>,2|C<3>,3|H<2>,4|H<1>}	C[3x3](C[3x3,3x4]C[3,6x4]C[3x3]C[4x3]2C[6x4]C[6a])(C[4x3]C[3x3,3x4]C[4x3]H[3]2HH)(H[3]C[4x3])2(H)2{1|H<3>,2|C<3>,5|H<2>,6|H<1>}	125.9665	3.754	2	125.9665	14.093	2	125.9665	14.093	2	125.9665	14.093	2	125.9665	14.093	2	120.1681	207.682	16
238	238	362	0:SPD7_SPD6_SPD7	C[6x3]	C[3x3,6]	C[3x3,6]	8:6:7:7:6:7:3:	7:7:6:2:1:1:1:	7:8:7:3:1:1:	C[5x3,6]-8:C[3x3,6]-6:C[4x3,6]-7:C[4x3,6]-7:C[4x3,6]-6:C[3x3,6]-7:C[6a]-3:	C[6x3]-7:C[4x3,6]-7:C[4x3,6]-6:H[3]-2:H-1:H-1:H-1:	C[6x3]-7:C[5x3,6]-8:C[4x3,6]-7:H[3,3]-3:H-1:H-1:	C[6x3](C[5x3,6]C[3x3,6]C[4x3,6]H[3,3]H[3]2HH)(C[3x3,6]C[4x3,6]C[5x3,6]H[3,3]HH)(C[4x3,6]C[3x3,6]C[4x3,6]H[3]2HH)2(C[4x3,6]C[3x3,6]C[5x3,6]H[3]2H)(C[3x3,6]C[4x3,6]2H[3]H3)(C[6a]C[6a]2)	C[3x3,6](C[6x3]C[3x3,6]C[4x3,6]3C[5x3,6]C[6a])(C[4x3,6]C[4x3,6]C[6x3]H[3]2HH)(C[4x3,6]C[5x3,6]C[6x3]H[3]2H)(H[3]C[4x3,6])(H)3	C[3x3,6](C[6x3]C[3x3,6]C[4x3,6]3C[5x3,6]C[6a])(C[5x3,6]C[4x3,6]C[6x3]H[3,3]H[3]2HH)(C[4x3,6]C[4x3,6]C[6x3]H[3]2HH)(H[3,3]C[5x3,6]H[3])(H)2	C[6x3](C[5x3,6]C[3x3,6]C[4x3,6]H[3,3]H[3]2HH)(C[3x3,6]C[4x3,6]C[5x3,6]H[3,3]HH)(C[4x3,6]C[3x3,6]C[4x3,6]H[3]2HH)2(C[4x3,6]C[3x3,6]C[5x3,6]H[3]2H)(C[3x3,6]C[4x3,6]2H[3]H3)(C[6a]C[6a]2){2|C<3>,2|H<1>}	C[3x3,6](C[6x3]C[3x3,6]C[4x3,6]3C[5x3,6]C[6a])(C[4x3,6]C[4x3,6]C[6x3]H[3]2HH)(C[4x3,6]C[5x3,6]C[6x3]H[3]2H)(H[3]C[4x3,6])(H)3{1|H<2>,1|H<3>,2|C<3>,6|H<1>}	C[3x3,6](C[6x3]C[3x3,6]C[4x3,6]3C[5x3,6]C[6a])(C[5x3,6]C[4x3,6]C[6x3]H[3,3]H[3]2HH)(C[4x3,6]C[4x3,6]C[6x3]H[3]2HH)(H[3,3]C[5x3,6]H[3])(H)2{1|H<2>,2|C<3>,6|H<1>}	141.2410	0.000	1	141.2410	0.000	1	141.2410	0.000	1	141.2410	0.000	1	141.2410	0.000	1	120.1681	207.682	16
238	238	362	0:SPD7_SPD6_SPD7	C[6x3]	C[4x3,4,6]	C[3,3,4,4,6]	7:7:6:6:6:6:3:	7:7:6:3:2:2:1:	7:6:6:2:2:1:	C[4x3,4,6]-7:C[4x3,4,6]-7:C[3x3,4,6]-6:C[3x3,4,6]-6:C[3,3,4,4,6]-6:C[3,3,4,4,6]-6:C[6]-3:	C[6x3]-7:C[4x3,4,6]-7:C[3x3,4,6]-6:H[3,3]-3:H[3]-2:H[4]-2:H-1:	C[6x3]-7:C[3x3,4,6]-6:C[3,3,4,4,6]-6:H[4]-2:H[4]-2:H-1:	C[6x3](C[4x3,4,6]C[3x3,4,6]C[4x3,4,6]H[3,3]H[3]H[4]H)2(C[3x3,4,6]C[3,3,4,4,6]C[4x3,4,6]H[3,3]H[4]H)2(C[3,3,4,4,6]C[3,3,4,4,6]C[3x3,4,6]H[4]2H)2(C[6]C[6]2)	C[4x3,4,6](C[6x3]C[3,3,4,4,6]2C[3x3,4,6]2C[4x3,4,6]C[6])(C[4x3,4,6]C[3x3,4,6]C[6x3]H[3,3]H[3]H[4]H)(C[3x3,4,6]C[3,3,4,4,6]C[6x3]H[3,3]H[4]H)(H[3,3]C[3x3,4,6]H[3])(H[3]H[3,3])(H[4]H[4])(H)	C[3,3,4,4,6](C[6x3]C[3,3,4,4,6]C[3x3,4,6]2C[4x3,4,6]2C[6])(C[3x3,4,6]C[4x3,4,6]C[6x3]H[3,3]H[4]H)(C[3,3,4,4,6]C[3x3,4,6]C[6x3]H[4]2H)(H[4]H[4])2(H)	C[6x3](C[4x3,4,6]C[3x3,4,6]C[4x3,4,6]H[3,3]H[3]H[4]H)2(C[3x3,4,6]C[3,3,4,4,6]C[4x3,4,6]H[3,3]H[4]H)2(C[3,3,4,4,6]C[3,3,4,4,6]C[3x3,4,6]H[4]2H)2(C[6]C[6]2){2|C<3>,2|H<1>}	C[4x3,4,6](C[6x3]C[3,3,4,4,6]2C[3x3,4,6]2C[4x3,4,6]C[6])(C[4x3,4,6]C[3x3,4,6]C[6x3]H[3,3]H[3]H[4]H)(C[3x3,4,6]C[3,3,4,4,6]C[6x3]H[3,3]H[4]H)(H[3,3]C[3x3,4,6]H[3])(H[3]H[3,3])(H[4]H[4])(H){2|C<3>,3|H<1>,5|H<2>}	C[3,3,4,4,6](C[6x3]C[3,3,4,4,6]C[3x3,4,6]2C[4x3,4,6]2C[6])(C[3x3,4,6]C[4x3,4,6]C[6x3]H[3,3]H[4]H)(C[3,3,4,4,6]C[3x3,4,6]C[6x3]H[4]2H)(H[4]H[4])2(H){1|H<3>,2|C<3>,3|H<1>,5|H<2>}	125.5700	19.357	4	125.5700	374.693	4	125.5700	374.693	4	125.5700	374.693	4	125.5700	374.693	4	120.1681	207.682	16
238	238	362	0:SPD7_SPD6_SPD7	C[6x3]	C[4x3,4,6]	C[3x3,4,6]	7:7:6:6:6:6:3:	7:7:6:3:2:2:1:	7:7:6:3:2:1:	C[4x3,4,6]-7:C[4x3,4,6]-7:C[3x3,4,6]-6:C[3x3,4,6]-6:C[3,3,4,4,6]-6:C[3,3,4,4,6]-6:C[6]-3:	C[6x3]-7:C[4x3,4,6]-7:C[3x3,4,6]-6:H[3,3]-3:H[3]-2:H[4]-2:H-1:	C[6x3]-7:C[4x3,4,6]-7:C[3,3,4,4,6]-6:H[3,3]-3:H[4]-2:H-1:	C[6x3](C[4x3,4,6]C[3x3,4,6]C[4x3,4,6]H[3,3]H[3]H[4]H)2(C[3x3,4,6]C[3,3,4,4,6]C[4x3,4,6]H[3,3]H[4]H)2(C[3,3,4,4,6]C[3,3,4,4,6]C[3x3,4,6]H[4]2H)2(C[6]C[6]2)	C[4x3,4,6](C[6x3]C[3,3,4,4,6]2C[3x3,4,6]2C[4x3,4,6]C[6])(C[4x3,4,6]C[3x3,4,6]C[6x3]H[3,3]H[3]H[4]H)(C[3x3,4,6]C[3,3,4,4,6]C[6x3]H[3,3]H[4]H)(H[3,3]C[3x3,4,6]H[3])(H[3]H[3,3])(H[4]H[4])(H)	C[3x3,4,6](C[6x3]C[3,3,4,4,6]2C[3x3,4,6]C[4x3,4,6]2C[6])(C[4x3,4,6]C[4x3,4,6]C[6x3]H[3,3]H[3]H[4]H)(C[3,3,4,4,6]C[3,3,4,4,6]C[6x3]H[4]2H)(H[3,3]C[4x3,4,6]H[3])(H[4]H[4])(H)	C[6x3](C[4x3,4,6]C[3x3,4,6]C[4x3,4,6]H[3,3]H[3]H[4]H)2(C[3x3,4,6]C[3,3,4,4,6]C[4x3,4,6]H[3,3]H[4]H)2(C[3,3,4,4,6]C[3,3,4,4,6]C[3x3,4,6]H[4]2H)2(C[6]C[6]2){2|C<3>,2|H<1>}	C[4x3,4,6](C[6x3]C[3,3,4,4,6]2C[3x3,4,6]2C[4x3,4,6]C[6])(C[4x3,4,6]C[3x3,4,6]C[6x3]H[3,3]H[3]H[4]H)(C[3x3,4,6]C[3,3,4,4,6]C[6x3]H[3,3]H[4]H)(H[3,3]C[3x3,4,6]H[3])(H[3]H[3,3])(H[4]H[4])(H){2|C<3>,3|H<1>,5|H<2>}	C[3x3,4,6](C[6x3]C[3,3,4,4,6]2C[3x3,4,6]C[4x3,4,6]2C[6])(C[4x3,4,6]C[4x3,4,6]C[6x3]H[3,3]H[3]H[4]H)(C[3,3,4,4,6]C[3,3,4,4,6]C[6x3]H[4]2H)(H[3,3]C[4x3,4,6]H[3])(H[4]H[4])(H){1|H<3>,2|C<3>,3|H<1>,5|H<2>}	109.5465	0.251	2	109.5465	0.063	2	109.5465	0.063	2	109.5465	0.063	2	109.5465	0.063	2	120.1681	207.682	16
238	238	362	0:SPD7_SPD6_SPD7	C[6x3]	C[4x3,6]	C[3x3,6]	8:6:7:7:6:7:3:	7:7:7:2:2:1:1:	7:8:7:3:1:1:	C[5x3,6]-8:C[3x3,6]-6:C[4x3,6]-7:C[4x3,6]-7:C[4x3,6]-6:C[3x3,6]-7:C[6a]-3:	C[6x3]-7:C[4x3,6]-7:C[3x3,6]-7:H[3]-2:H[3]-2:H-1:H-1:	C[6x3]-7:C[5x3,6]-8:C[4x3,6]-7:H[3,3]-3:H-1:H-1:	C[6x3](C[5x3,6]C[3x3,6]C[4x3,6]H[3,3]H[3]2HH)(C[3x3,6]C[4x3,6]C[5x3,6]H[3,3]HH)(C[4x3,6]C[3x3,6]C[4x3,6]H[3]2HH)2(C[4x3,6]C[3x3,6]C[5x3,6]H[3]2H)(C[3x3,6]C[4x3,6]2H[3]H3)(C[6a]C[6a]2)	C[4x3,6](C[6x3]C[3x3,6]2C[4x3,6]2C[5x3,6]C[6a])(C[4x3,6]C[3x3,6]C[6x3]H[3]2HH)(C[3x3,6]C[4x3,6]C[6x3]H[3]H3)(H[3]C[4x3,6])2(H)2	C[3x3,6](C[6x3]C[3x3,6]C[4x3,6]3C[5x3,6]C[6a])(C[5x3,6]C[4x3,6]C[6x3]H[3,3]H[3]2HH)(C[4x3,6]C[4x3,6]C[6x3]H[3]2HH)(H[3,3]C[5x3,6]H[3])(H)2	C[6x3](C[5x3,6]C[3x3,6]C[4x3,6]H[3,3]H[3]2HH)(C[3x3,6]C[4x3,6]C[5x3,6]H[3,3]HH)(C[4x3,6]C[3x3,6]C[4x3,6]H[3]2HH)2(C[4x3,6]C[3x3,6]C[5x3,6]H[3]2H)(C[3x3,6]C[4x3,6]2H[3]H3)(C[6a]C[6a]2){2|C<3>,2|H<1>}	C[4x3,6](C[6x3]C[3x3,6]2C[4x3,6]2C[5x3,6]C[6a])(C[4x3,6]C[3x3,6]C[6x3]H[3]2HH)(C[3x3,6]C[4x3,6]C[6x3]H[3]H3)(H[3]C[4x3,6])2(H)2{1|H<3>,2|C<3>,2|H<2>,5|H<1>}	C[3x3,6](C[6x3]C[3x3,6]C[4x3,6]3C[5x3,6]C[6a])(C[5x3,6]C[4x3,6]C[6x3]H[3,3]H[3]2HH)(C[4x3,6]C[4x3,6]C[6x3]H[3]2HH)(H[3,3]C[5x3,6]H[3])(H)2{1|H<2>,2|C<3>,6|H<1>}	107.0830	0.000	1	107.0830	0.000	1	107.0830	0.000	1	107.0830	0.000	1	107.0830	0.000	1	120.1681	207.682	16
238	238	362	0:SPD7_SPD6_SPD7	C[6x3]	C[4x3,6]	C[4x3,6]	8:6:7:7:6:7:3:	7:6:7:2:2:1:1:	7:8:7:2:2:1:	C[5x3,6]-8:C[3x3,6]-6:C[4x3,6]-7:C[4x3,6]-7:C[4x3,6]-6:C[3x3,6]-7:C[6a]-3:	C[6x3]-7:C[3x3,6]-6:C[4x3,6]-7:H[3]-2:H[3]-2:H-1:H-1:	C[6x3]-7:C[5x3,6]-8:C[3x3,6]-7:H[3]-2:H[3]-2:H-1:	C[6x3](C[5x3,6]C[3x3,6]C[4x3,6]H[3,3]H[3]2HH)(C[3x3,6]C[4x3,6]C[5x3,6]H[3,3]HH)(C[4x3,6]C[3x3,6]C[4x3,6]H[3]2HH)2(C[4x3,6]C[3x3,6]C[5x3,6]H[3]2H)(C[3x3,6]C[4x3,6]2H[3]H3)(C[6a]C[6a]2)	C[4x3,6](C[6x3]C[3x3,6]2C[4x3,6]2C[5x3,6]C[6a])(C[3x3,6]C[5x3,6]C[6x3]H[3,3]HH)(C[4x3,6]C[3x3,6]C[6x3]H[3]2HH)(H[3]C[4x3,6])2(H)2	C[4x3,6](C[6x3]C[3x3,6]2C[4x3,6]2C[5x3,6]C[6a])(C[5x3,6]C[3x3,6]C[6x3]H[3,3]H[3]2HH)(C[3x3,6]C[4x3,6]C[6x3]H[3]H3)(H[3]C[3x3,6])(H[3]C[5x3,6])(H)	C[6x3](C[5x3,6]C[3x3,6]C[4x3,6]H[3,3]H[3]2HH)(C[3x3,6]C[4x3,6]C[5x3,6]H[3,3]HH)(C[4x3,6]C[3x3,6]C[4x3,6]H[3]2HH)2(C[4x3,6]C[3x3,6]C[5x3,6]H[3]2H)(C[3x3,6]C[4x3,6]2H[3]H3)(C[6a]C[6a]2){2|C<3>,2|H<1>}	C[4x3,6](C[6x3]C[3x3,6]2C[4x3,6]2C[5x3,6]C[6a])(C[3x3,6]C[5x3,6]C[6x3]H[3,3]HH)(C[4x3,6]C[3x3,6]C[6x3]H[3]2HH)(H[3]C[4x3,6])2(H)2{2|C<3>,3|H<2>,6|H<1>}	C[4x3,6](C[6x3]C[3x3,6]2C[4x3,6]2C[5x3,6]C[6a])(C[5x3,6]C[3x3,6]C[6x3]H[3,3]H[3]2HH)(C[3x3,6]C[4x3,6]C[6x3]H[3]H3)(H[3]C[3x3,6])(H[3]C[5x3,6])(H){2|C<3>,2|H<2>,6|H<1>}	136.0340	0.000	1	136.0340	0.000	1	136.0340	0.000	1	136.0340	0.000	1	123.1805	330.425	2	120.1681	207.682	16
238	238	362	0:SPD7_SPD6_SPD7	C[6x3]	C[4x3,6]	C[4x3,6]	8:6:7:7:6:7:3:	7:7:7:2:2:1:1:	7:8:7:2:2:1:	C[5x3,6]-8:C[3x3,6]-6:C[4x3,6]-7:C[4x3,6]-7:C[4x3,6]-6:C[3x3,6]-7:C[6a]-3:	C[6x3]-7:C[4x3,6]-7:C[3x3,6]-7:H[3]-2:H[3]-2:H-1:H-1:	C[6x3]-7:C[5x3,6]-8:C[3x3,6]-7:H[3]-2:H[3]-2:H-1:	C[6x3](C[5x3,6]C[3x3,6]C[4x3,6]H[3,3]H[3]2HH)(C[3x3,6]C[4x3,6]C[5x3,6]H[3,3]HH)(C[4x3,6]C[3x3,6]C[4x3,6]H[3]2HH)2(C[4x3,6]C[3x3,6]C[5x3,6]H[3]2H)(C[3x3,6]C[4x3,6]2H[3]H3)(C[6a]C[6a]2)	C[4x3,6](C[6x3]C[3x3,6]2C[4x3,6]2C[5x3,6]C[6a])(C[4x3,6]C[3x3,6]C[6x3]H[3]2HH)(C[3x3,6]C[4x3,6]C[6x3]H[3]H3)(H[3]C[4x3,6])2(H)2	C[4x3,6](C[6x3]C[3x3,6]2C[4x3,6]2C[5x3,6]C[6a])(C[5x3,6]C[3x3,6]C[6x3]H[3,3]H[3]2HH)(C[3x3,6]C[4x3,6]C[6x3]H[3]H3)(H[3]C[3x3,6])(H[3]C[5x3,6])(H)	C[6x3](C[5x3,6]C[3x3,6]C[4x3,6]H[3,3]H[3]2HH)(C[3x3,6]C[4x3,6]C[5x3,6]H[3,3]HH)(C[4x3,6]C[3x3,6]C[4x3,6]H[3]2HH)2(C[4x3,6]C[3x3,6]C[5x3,6]H[3]2H)(C[3x3,6]C[4x3,6]2H[3]H3)(C[6a]C[6a]2){2|C<3>,2|H<1>}	C[4x3,6](C[6x3]C[3x3,6]2C[4x3,6]2C[5x3,6]C[6a])(C[4x3,6]C[3x3,6]C[6x3]H[3]2HH)(C[3x3,6]C[4x3,6]C[6x3]H[3]H3)(H[3]C[4x3,6])2(H)2{1|H<3>,2|C<3>,2|H<2>,5|H<1>}	C[4x3,6](C[6x3]C[3x3,6]2C[4x3,6]2C[5x3,6]C[6a])(C[5x3,6]C[3x3,6]C[6x3]H[3,3]H[3]2HH)(C[3x3,6]C[4x3,6]C[6x3]H[3]H3)(H[3]C[3x3,6])(H[3]C[5x3,6])(H){2|C<3>,2|H<2>,6|H<1>}	110.3270	0.000	1	110.3270	0.000	1	110.3270	0.000	1	110.3270	0.000	1	123.1805	330.425	2	120.1681	207.682	16
238	238	362	3:SPD7_SPD6_SPD7	C[3x3,3x4]	C[4x3]	C[3x3]	6:7:7:5:6:6:3:	7:7:6:2:2:1:1:	7:7:2:2:1:1:	C[3,6x4]-6:C[4x3]-7:C[4x3]-7:C[6x4]-5:C[3x3]-6:C[3x3]-6:C[6a]-3:	C[3x3,3x4]-7:C[4x3]-7:C[3x3]-6:H[3]-2:H[3]-2:H-1:H-1:	C[3x3,3x4]-7:C[4x3]-7:H[3]-2:H[3]-2:H-1:H-1:	C[3x3,3x4](C[3,6x4]H[3,3x4]H[3x4]2H[3]H)(C[4x3]C[3x3]C[4x3]H[3]2HH)2(C[6x4]H[3,3x4]H[3x4]2H)(C[3x3]C[4x3]H[3]2HH)2(C[6a]C[6a]2)	C[4x3](C[3x3,3x4]C[3,6x4]C[3x3]2C[4x3]C[6x4]C[6a])(C[4x3]C[3x3,3x4]C[3x3]H[3]2HH)(C[3x3]C[3x3,3x4]H[3]2HH)(H[3]C[3x3])2(H)2	C[3x3](C[3x3,3x4]C[3,6x4]C[3x3]C[4x3]2C[6x4]C[6a])(C[4x3]C[3x3,3x4]C[4x3]H[3]2HH)(H[3]C[4x3])2(H)2	C[3x3,3x4](C[3,6x4]H[3,3x4]H[3x4]2H[3]H)(C[4x3]C[3x3]C[4x3]H[3]2HH)2(C[6x4]H[3,3x4]H[3x4]2H)(C[3x3]C[4x3]H[3]2HH)2(C[6a]C[6a]2){2|C<3>,2|H<1>}	C[4x3](C[3x3,3x4]C[3,6x4]C[3x3]2C[4x3]C[6x4]C[6a])(C[4x3]C[3x3,3x4]C[3x3]H[3]2HH)(C[3x3]C[3x3,3x4]H[3]2HH)(H[3]C[3x3])2(H)2{1|H<3>,2|C<3>,3|H<2>,4|H<1>}	C[3x3](C[3x3,3x4]C[3,6x4]C[3x3]C[4x3]2C[6x4]C[6a])(C[4x3]C[3x3,3x4]C[4x3]H[3]2HH)(H[3]C[4x3])2(H)2{1|H<3>,2|C<3>,5|H<2>,6|H<1>}	45.0818	0.916	2	45.0818	0.840	2	45.0818	0.840	2	45.0818	0.840	2	45.0818	0.840	2	57.3406	89.561	12
238	238	362	3:SPD7_SPD6_SPD7	C[3x3,6]	C[6x3]	C[4x3,6]	7:7:6:2:1:1:1:	8:6:7:7:6:7:3:	7:8:7:2:2:1:	C[6x3]-7:C[4x3,6]-7:C[4x3,6]-6:H[3]-2:H-1:H-1:H-1:	C[5x3,6]-8:C[3x3,6]-6:C[4x3,6]-7:C[4x3,6]-7:C[4x3,6]-6:C[3x3,6]-7:C[6a]-3:	C[6x3]-7:C[5x3,6]-8:C[3x3,6]-7:H[3]-2:H[3]-2:H-1:	C[3x3,6](C[6x3]C[3x3,6]C[4x3,6]3C[5x3,6]C[6a])(C[4x3,6]C[4x3,6]C[6x3]H[3]2HH)(C[4x3,6]C[5x3,6]C[6x3]H[3]2H)(H[3]C[4x3,6])(H)3	C[6x3](C[5x3,6]C[3x3,6]C[4x3,6]H[3,3]H[3]2HH)(C[3x3,6]C[4x3,6]C[5x3,6]H[3,3]HH)(C[4x3,6]C[3x3,6]C[4x3,6]H[3]2HH)2(C[4x3,6]C[3x3,6]C[5x3,6]H[3]2H)(C[3x3,6]C[4x3,6]2H[3]H3)(C[6a]C[6a]2)	C[4x3,6](C[6x3]C[3x3,6]2C[4x3,6]2C[5x3,6]C[6a])(C[5x3,6]C[3x3,6]C[6x3]H[3,3]H[3]2HH)(C[3x3,6]C[4x3,6]C[6x3]H[3]H3)(H[3]C[3x3,6])(H[3]C[5x3,6])(H)	C[3x3,6](C[6x3]C[3x3,6]C[4x3,6]3C[5x3,6]C[6a])(C[4x3,6]C[4x3,6]C[6x3]H[3]2HH)(C[4x3,6]C[5x3,6]C[6x3]H[3]2H)(H[3]C[4x3,6])(H)3{1|H<2>,1|H<3>,2|C<3>,6|H<1>}	C[6x3](C[5x3,6]C[3x3,6]C[4x3,6]H[3,3]H[3]2HH)(C[3x3,6]C[4x3,6]C[5x3,6]H[3,3]HH)(C[4x3,6]C[3x3,6]C[4x3,6]H[3]2HH)2(C[4x3,6]C[3x3,6]C[5x3,6]H[3]2H)(C[3x3,6]C[4x3,6]2H[3]H3)(C[6a]C[6a]2){2|C<3>,2|H<1>}	C[4x3,6](C[6x3]C[3x3,6]2C[4x3,6]2C[5x3,6]C[6a])(C[5x3,6]C[3x3,6]C[6x3]H[3,3]H[3]2HH)(C[3x3,6]C[4x3,6]C[6x3]H[3]H3)(H[3]C[3x3,6])(H[3]C[5x3,6])(H){2|C<3>,2|H<2>,6|H<1>}	53.3778	0.000	1	53.3778	0.000	1	53.3778	0.000	1	53.3778	0.000	1	53.3778	0.000	1	57.3406	89.561	12
238	238	362	3:SPD7_SPD6_SPD7	C[4x3,4,6]	C[6x3]	C[3x3,4,6]	7:7:6:3:2:2:1:	7:7:6:6:6:6:3:	7:7:6:3:2:1:	C[6x3]-7:C[4x3,4,6]-7:C[3x3,4,6]-6:H[3,3]-3:H[3]-2:H[4]-2:H-1:	C[4x3,4,6]-7:C[4x3,4,6]-7:C[3x3,4,6]-6:C[3x3,4,6]-6:C[3,3,4,4,6]-6:C[3,3,4,4,6]-6:C[6]-3:	C[6x3]-7:C[4x3,4,6]-7:C[3,3,4,4,6]-6:H[3,3]-3:H[4]-2:H-1:	C[4x3,4,6](C[6x3]C[3,3,4,4,6]2C[3x3,4,6]2C[4x3,4,6]C[6])(C[4x3,4,6]C[3x3,4,6]C[6x3]H[3,3]H[3]H[4]H)(C[3x3,4,6]C[3,3,4,4,6]C[6x3]H[3,3]H[4]H)(H[3,3]C[3x3,4,6]H[3])(H[3]H[3,3])(H[4]H[4])(H)	C[6x3](C[4x3,4,6]C[3x3,4,6]C[4x3,4,6]H[3,3]H[3]H[4]H)2(C[3x3,4,6]C[3,3,4,4,6]C[4x3,4,6]H[3,3]H[4]H)2(C[3,3,4,4,6]C[3,3,4,4,6]C[3x3,4,6]H[4]2H)2(C[6]C[6]2)	C[3x3,4,6](C[6x3]C[3,3,4,4,6]2C[3x3,4,6]C[4x3,4,6]2C[6])(C[4x3,4,6]C[4x3,4,6]C[6x3]H[3,3]H[3]H[4]H)(C[3,3,4,4,6]C[3,3,4,4,6]C[6x3]H[4]2H)(H[3,3]C[4x3,4,6]H[3])(H[4]H[4])(H)	C[4x3,4,6](C[6x3]C[3,3,4,4,6]2C[3x3,4,6]2C[4x3,4,6]C[6])(C[4x3,4,6]C[3x3,4,6]C[6x3]H[3,3]H[3]H[4]H)(C[3x3,4,6]C[3,3,4,4,6]C[6x3]H[3,3]H[4]H)(H[3,3]C[3x3,4,6]H[3])(H[3]H[3,3])(H[4]H[4])(H){2|C<3>,3|H<1>,5|H<2>}	C[6x3](C[4x3,4,6]C[3x3,4,6]C[4x3,4,6]H[3,3]H[3]H[4]H)2(C[3x3,4,6]C[3,3,4,4,6]C[4x3,4,6]H[3,3]H[4]H)2(C[3,3,4,4,6]C[3,3,4,4,6]C[3x3,4,6]H[4]2H)2(C[6]C[6]2){2|C<3>,2|H<1>}	C[3x3,4,6](C[6x3]C[3,3,4,4,6]2C[3x3,4,6]C[4x3,4,6]2C[6])(C[4x3,4,6]C[4x3,4,6]C[6x3]H[3,3]H[3]H[4]H)(C[3,3,4,4,6]C[3,3,4,4,6]C[6x3]H[4]2H)(H[3,3]C[4x3,4,6]H[3])(H[4]H[4])(H){1|H<3>,2|C<3>,3|H<1>,5|H<2>}	61.9416	0.664	2	61.9416	0.440	2	61.9416	0.440	2	61.9416	0.440	2	61.9416	0.440	2	57.3406	89.561	12
238	238	362	3:SPD7_SPD6_SPD7	C[4x3,6]	C[6x3]	C[3x3,6]	7:6:7:2:2:1:1:	8:6:7:7:6:7:3:	7:8:7:3:1:1:	C[6x3]-7:C[3x3,6]-6:C[4x3,6]-7:H[3]-2:H[3]-2:H-1:H-1:	C[5x3,6]-8:C[3x3,6]-6:C[4x3,6]-7:C[4x3,6]-7:C[4x3,6]-6:C[3x3,6]-7:C[6a]-3:	C[6x3]-7:C[5x3,6]-8:C[4x3,6]-7:H[3,3]-3:H-1:H-1:	C[4x3,6](C[6x3]C[3x3,6]2C[4x3,6]2C[5x3,6]C[6a])(C[3x3,6]C[5x3,6]C[6x3]H[3,3]HH)(C[4x3,6]C[3x3,6]C[6x3]H[3]2HH)(H[3]C[4x3,6])2(H)2	C[6x3](C[5x3,6]C[3x3,6]C[4x3,6]H[3,3]H[3]2HH)(C[3x3,6]C[4x3,6]C[5x3,6]H[3,3]HH)(C[4x3,6]C[3x3,6]C[4x3,6]H[3]2HH)2(C[4x3,6]C[3x3,6]C[5x3,6]H[3]2H)(C[3x3,6]C[4x3,6]2H[3]H3)(C[6a]C[6a]2)	C[3x3,6](C[6x3]C[3x3,6]C[4x3,6]3C[5x3,6]C[6a])(C[5x3,6]C[4x3,6]C[6x3]H[3,3]H[3]2HH)(C[4x3,6]C[4x3,6]C[6x3]H[3]2HH)(H[3,3]C[5x3,6]H[3])(H)2	C[4x3,6](C[6x3]C[3x3,6]2C[4x3,6]2C[5x3,6]C[6a])(C[3x3,6]C[5x3,6]C[6x3]H[3,3]HH)(C[4x3,6]C[3x3,6]C[6x3]H[3]2HH)(H[3]C[4x3,6])2(H)2{2|C<3>,3|H<2>,6|H<1>}	C[6x3](C[5x3,6]C[3x3,6]C[4x3,6]H[3,3]H[3]2HH)(C[3x3,6]C[4x3,6]C[5x3,6]H[3,3]HH)(C[4x3,6]C[3x3,6]C[4x3,6]H[3]2HH)2(C[4x3,6]C[3x3,6]C[5x3,6]H[3]2H)(C[3x3,6]C[4x3,6]2H[3]H3)(C[6a]C[6a]2){2|C<3>,2|H<1>}	C[3x3,6](C[6x3]C[3x3,6]C[4x3,6]3C[5x3,6]C[6a])(C[5x3,6]C[4x3,6]C[6x3]H[3,3]H[3]2HH)(C[4x3,6]C[4x3,6]C[6x3]H[3]2HH)(H[3,3]C[5x3,6]H[3])(H)2{1|H<2>,2|C<3>,6|H<1>}	50.3767	0.000	1	50.3767	0.000	1	50.3767	0.000	1	50.3767	0.000	1	50.3767	0.000	1	57.3406	89.561	12
238	238	362	3:SPD7_SPD6_SPD7	C[4x3]	C[3x3,3x4]	C[3x3]	7:7:6:2:2:1:1:	6:7:7:5:6:6:3:	7:7:2:2:1:1:	C[3x3,3x4]-7:C[4x3]-7:C[3x3]-6:H[3]-2:H[3]-2:H-1:H-1:	C[3,6x4]-6:C[4x3]-7:C[4x3]-7:C[6x4]-5:C[3x3]-6:C[3x3]-6:C[6a]-3:	C[3x3,3x4]-7:C[4x3]-7:H[3]-2:H[3]-2:H-1:H-1:	C[4x3](C[3x3,3x4]C[3,6x4]C[3x3]2C[4x3]C[6x4]C[6a])(C[4x3]C[3x3,3x4]C[3x3]H[3]2HH)(C[3x3]C[3x3,3x4]H[3]2HH)(H[3]C[3x3])2(H)2	C[3x3,3x4](C[3,6x4]H[3,3x4]H[3x4]2H[3]H)(C[4x3]C[3x3]C[4x3]H[3]2HH)2(C[6x4]H[3,3x4]H[3x4]2H)(C[3x3]C[4x3]H[3]2HH)2(C[6a]C[6a]2)	C[3x3](C[3x3,3x4]C[3,6x4]C[3x3]C[4x3]2C[6x4]C[6a])(C[4x3]C[3x3,3x4]C[4x3]H[3]2HH)(H[3]C[4x3])2(H)2	C[4x3](C[3x3,3x4]C[3,6x4]C[3x3]2C[4x3]C[6x4]C[6a])(C[4x3]C[3x3,3x4]C[3x3]H[3]2HH)(C[3x3]C[3x3,3x4]H[3]2HH)(H[3]C[3x3])2(H)2{1|H<3>,2|C<3>,3|H<2>,4|H<1>}	C[3x3,3x4](C[3,6x4]H[3,3x4]H[3x4]2H[3]H)(C[4x3]C[3x3]C[4x3]H[3]2HH)2(C[6x4]H[3,3x4]H[3x4]2H)(C[3x3]C[4x3]H[3]2HH)2(C[6a]C[6a]2){2|C<3>,2|H<1>}	C[3x3](C[3x3,3x4]C[3,6x4]C[3x3]C[4x3]2C[6x4]C[6a])(C[4x3]C[3x3,3x4]C[4x3]H[3]2HH)(H[3]C[4x3])2(H)2{1|H<3>,2|C<3>,5|H<2>,6|H<1>}	71.0891	0.058	2	71.0891	0.003	2	71.0891	0.003	2	71.0891	0.003	2	71.0891	0.003	2	57.3406	89.561	12
238	238	362	3:SPD7_SPD6_SPD7	C[6x3]	C[3x3,6]	C[4x3,6]	8:6:7:7:6:7:3:	7:7:6:2:1:1:1:	7:8:7:2:2:1:	C[5x3,6]-8:C[3x3,6]-6:C[4x3,6]-7:C[4x3,6]-7:C[4x3,6]-6:C[3x3,6]-7:C[6a]-3:	C[6x3]-7:C[4x3,6]-7:C[4x3,6]-6:H[3]-2:H-1:H-1:H-1:	C[6x3]-7:C[5x3,6]-8:C[3x3,6]-7:H[3]-2:H[3]-2:H-1:	C[6x3](C[5x3,6]C[3x3,6]C[4x3,6]H[3,3]H[3]2HH)(C[3x3,6]C[4x3,6]C[5x3,6]H[3,3]HH)(C[4x3,6]C[3x3,6]C[4x3,6]H[3]2HH)2(C[4x3,6]C[3x3,6]C[5x3,6]H[3]2H)(C[3x3,6]C[4x3,6]2H[3]H3)(C[6a]C[6a]2)	C[3x3,6](C[6x3]C[3x3,6]C[4x3,6]3C[5x3,6]C[6a])(C[4x3,6]C[4x3,6]C[6x3]H[3]2HH)(C[4x3,6]C[5x3,6]C[6x3]H[3]2H)(H[3]C[4x3,6])(H)3	C[4x3,6](C[6x3]C[3x3,6]2C[4x3,6]2C[5x3,6]C[6a])(C[5x3,6]C[3x3,6]C[6x3]H[3,3]H[3]2HH)(C[3x3,6]C[4x3,6]C[6x3]H[3]H3)(H[3]C[3x3,6])(H[3]C[5x3,6])(H)	C[6x3](C[5x3,6]C[3x3,6]C[4x3,6]H[3,3]H[3]2HH)(C[3x3,6]C[4x3,6]C[5x3,6]H[3,3]HH)(C[4x3,6]C[3x3,6]C[4x3,6]H[3]2HH)2(C[4x3,6]C[3x3,6]C[5x3,6]H[3]2H)(C[3x3,6]C[4x3,6]2H[3]H3)(C[6a]C[6a]2){2|C<3>,2|H<1>}	C[3x3,6](C[6x3]C[3x3,6]C[4x3,6]3C[5x3,6]C[6a])(C[4x3,6]C[4x3,6]C[6x3]H[3]2HH)(C[4x3,6]C[5x3,6]C[6x3]H[3]2H)(H[3]C[4x3,6])(H)3{1|H<2>,1|H<3>,2|C<3>,6|H<1>}	C[4x3,6](C[6x3]C[3x3,6]2C[4x3,6]2C[5x3,6]C[6a])(C[5x3,6]C[3x3,6]C[6x3]H[3,3]H[3]2HH)(C[3x3,6]C[4x3,6]C[6x3]H[3]H3)(H[3]C[3x3,6])(H[3]C[5x3,6])(H){2|C<3>,2|H<2>,6|H<1>}	50.3456	0.000	1	50.3456	0.000	1	50.3456	0.000	1	50.3456	0.000	1	50.3456	0.000	1	57.3406	89.561	12
238	238	362	3:SPD7_SPD6_SPD7	C[6x3]	C[4x3,4,6]	C[3x3,4,6]	7:7:6:6:6:6:3:	7:7:6:3:2:2:1:	7:7:6:3:2:1:	C[4x3,4,6]-7:C[4x3,4,6]-7:C[3x3,4,6]-6:C[3x3,4,6]-6:C[3,3,4,4,6]-6:C[3,3,4,4,6]-6:C[6]-3:	C[6x3]-7:C[4x3,4,6]-7:C[3x3,4,6]-6:H[3,3]-3:H[3]-2:H[4]-2:H-1:	C[6x3]-7:C[4x3,4,6]-7:C[3,3,4,4,6]-6:H[3,3]-3:H[4]-2:H-1:	C[6x3](C[4x3,4,6]C[3x3,4,6]C[4x3,4,6]H[3,3]H[3]H[4]H)2(C[3x3,4,6]C[3,3,4,4,6]C[4x3,4,6]H[3,3]H[4]H)2(C[3,3,4,4,6]C[3,3,4,4,6]C[3x3,4,6]H[4]2H)2(C[6]C[6]2)	C[4x3,4,6](C[6x3]C[3,3,4,4,6]2C[3x3,4,6]2C[4x3,4,6]C[6])(C[4x3,4,6]C[3x3,4,6]C[6x3]H[3,3]H[3]H[4]H)(C[3x3,4,6]C[3,3,4,4,6]C[6x3]H[3,3]H[4]H)(H[3,3]C[3x3,4,6]H[3])(H[3]H[3,3])(H[4]H[4])(H)	C[3x3,4,6](C[6x3]C[3,3,4,4,6]2C[3x3,4,6]C[4x3,4,6]2C[6])(C[4x3,4,6]C[4x3,4,6]C[6x3]H[3,3]H[3]H[4]H)(C[3,3,4,4,6]C[3,3,4,4,6]C[6x3]H[4]2H)(H[3,3]C[4x3,4,6]H[3])(H[4]H[4])(H)	C[6x3](C[4x3,4,6]C[3x3,4,6]C[4x3,4,6]H[3,3]H[3]H[4]H)2(C[3x3,4,6]C[3,3,4,4,6]C[4x3,4,6]H[3,3]H[4]H)2(C[3,3,4,4,6]C[3,3,4,4,6]C[3x3,4,6]H[4]2H)2(C[6]C[6]2){2|C<3>,2|H<1>}	C[4x3,4,6](C[6x3]C[3,3,4,4,6]2C[3x3,4,6]2C[4x3,4,6]C[6])(C[4x3,4,6]C[3x3,4,6]C[6x3]H[3,3]H[3]H[4]H)(C[3x3,4,6]C[3,3,4,4,6]C[6x3]H[3,3]H[4]H)(H[3,3]C[3x3,4,6]H[3])(H[3]H[3,3])(H[4]H[4])(H){2|C<3>,3|H<1>,5|H<2>}	C[3x3,4,6](C[6x3]C[3,3,4,4,6]2C[3x3,4,6]C[4x3,4,6]2C[6])(C[4x3,4,6]C[4x3,4,6]C[6x3]H[3,3]H[3]H[4]H)(C[3,3,4,4,6]C[3,3,4,4,6]C[6x3]H[4]2H)(H[3,3]C[4x3,4,6]H[3])(H[4]H[4])(H){1|H<3>,2|C<3>,3|H<1>,5|H<2>}	54.4474	0.460	2	54.4474	0.211	2	54.4474	0.211	2	54.4474	0.211	2	54.4474	0.211	2	57.3406	89.561	12
238	238	362	3:SPD7_SPD6_SPD7	C[6x3]	C[4x3,6]	C[3x3,6]	8:6:7:7:6:7:3:	7:6:7:2:2:1:1:	7:8:7:3:1:1:	C[5x3,6]-8:C[3x3,6]-6:C[4x3,6]-7:C[4x3,6]-7:C[4x3,6]-6:C[3x3,6]-7:C[6a]-3:	C[6x3]-7:C[3x3,6]-6:C[4x3,6]-7:H[3]-2:H[3]-2:H-1:H-1:	C[6x3]-7:C[5x3,6]-8:C[4x3,6]-7:H[3,3]-3:H-1:H-1:	C[6x3](C[5x3,6]C[3x3,6]C[4x3,6]H[3,3]H[3]2HH)(C[3x3,6]C[4x3,6]C[5x3,6]H[3,3]HH)(C[4x3,6]C[3x3,6]C[4x3,6]H[3]2HH)2(C[4x3,6]C[3x3,6]C[5x3,6]H[3]2H)(C[3x3,6]C[4x3,6]2H[3]H3)(C[6a]C[6a]2)	C[4x3,6](C[6x3]C[3x3,6]2C[4x3,6]2C[5x3,6]C[6a])(C[3x3,6]C[5x3,6]C[6x3]H[3,3]HH)(C[4x3,6]C[3x3,6]C[6x3]H[3]2HH)(H[3]C[4x3,6])2(H)2	C[3x3,6](C[6x3]C[3x3,6]C[4x3,6]3C[5x3,6]C[6a])(C[5x3,6]C[4x3,6]C[6x3]H[3,3]H[3]2HH)(C[4x3,6]C[4x3,6]C[6x3]H[3]2HH)(H[3,3]C[5x3,6]H[3])(H)2	C[6x3](C[5x3,6]C[3x3,6]C[4x3,6]H[3,3]H[3]2HH)(C[3x3,6]C[4x3,6]C[5x3,6]H[3,3]HH)(C[4x3,6]C[3x3,6]C[4x3,6]H[3]2HH)2(C[4x3,6]C[3x3,6]C[5x3,6]H[3]2H)(C[3x3,6]C[4x3,6]2H[3]H3)(C[6a]C[6a]2){2|C<3>,2|H<1>}	C[4x3,6](C[6x3]C[3x3,6]2C[4x3,6]2C[5x3,6]C[6a])(C[3x3,6]C[5x3,6]C[6x3]H[3,3]HH)(C[4x3,6]C[3x3,6]C[6x3]H[3]2HH)(H[3]C[4x3,6])2(H)2{2|C<3>,3|H<2>,6|H<1>}	C[3x3,6](C[6x3]C[3x3,6]C[4x3,6]3C[5x3,6]C[6a])(C[5x3,6]C[4x3,6]C[6x3]H[3,3]H[3]2HH)(C[4x3,6]C[4x3,6]C[6x3]H[3]2HH)(H[3,3]C[5x3,6]H[3])(H)2{1|H<2>,2|C<3>,6|H<1>}	68.8678	0.000	1	68.8678	0.000	1	68.8678	0.000	1	68.8678	0.000	1	68.8678	0.000	1	57.3406	89.561	12
238	238	362	6:SPD7_SPD6_SPD7	C[3x3,6]	C[4x3,6]	C[4x3,6]	7:7:6:2:1:1:1:	7:7:7:2:2:1:1:	7:8:7:2:2:1:	C[6x3]-7:C[4x3,6]-7:C[4x3,6]-6:H[3]-2:H-1:H-1:H-1:	C[6x3]-7:C[4x3,6]-7:C[3x3,6]-7:H[3]-2:H[3]-2:H-1:H-1:	C[6x3]-7:C[5x3,6]-8:C[3x3,6]-7:H[3]-2:H[3]-2:H-1:	C[3x3,6](C[6x3]C[3x3,6]C[4x3,6]3C[5x3,6]C[6a])(C[4x3,6]C[4x3,6]C[6x3]H[3]2HH)(C[4x3,6]C[5x3,6]C[6x3]H[3]2H)(H[3]C[4x3,6])(H)3	C[4x3,6](C[6x3]C[3x3,6]2C[4x3,6]2C[5x3,6]C[6a])(C[4x3,6]C[3x3,6]C[6x3]H[3]2HH)(C[3x3,6]C[4x3,6]C[6x3]H[3]H3)(H[3]C[4x3,6])2(H)2	C[4x3,6](C[6x3]C[3x3,6]2C[4x3,6]2C[5x3,6]C[6a])(C[5x3,6]C[3x3,6]C[6x3]H[3,3]H[3]2HH)(C[3x3,6]C[4x3,6]C[6x3]H[3]H3)(H[3]C[3x3,6])(H[3]C[5x3,6])(H)	C[3x3,6](C[6x3]C[3x3,6]C[4x3,6]3C[5x3,6]C[6a])(C[4x3,6]C[4x3,6]C[6x3]H[3]2HH)(C[4x3,6]C[5x3,6]C[6x3]H[3]2H)(H[3]C[4x3,6])(H)3{1|H<2>,1|H<3>,2|C<3>,6|H<1>}	C[4x3,6](C[6x3]C[3x3,6]2C[4x3,6]2C[5x3,6]C[6a])(C[4x3,6]C[3x3,6]C[6x3]H[3]2HH)(C[3x3,6]C[4x3,6]C[6x3]H[3]H3)(H[3]C[4x3,6])2(H)2{1|H<3>,2|C<3>,2|H<2>,5|H<1>}	C[4x3,6](C[6x3]C[3x3,6]2C[4x3,6]2C[5x3,6]C[6a])(C[5x3,6]C[3x3,6]C[6x3]H[3,3]H[3]2HH)(C[3x3,6]C[4x3,6]C[6x3]H[3]H3)(H[3]C[3x3,6])(H[3]C[5x3,6])(H){2|C<3>,2|H<2>,6|H<1>}	101.1370	0.000	1	101.1370	0.000	1	101.1370	0.000	1	101.1370	0.000	1	101.1370	0.000	1	115.8277	82.213	6
238	238	362	6:SPD7_SPD6_SPD7	C[4x3,4,6]	C[4x3,4,6]	C[3x3,4,6]	7:7:6:3:2:2:1:	7:7:6:3:2:2:1:	7:7:6:3:2:1:	C[6x3]-7:C[4x3,4,6]-7:C[3x3,4,6]-6:H[3,3]-3:H[3]-2:H[4]-2:H-1:	C[6x3]-7:C[4x3,4,6]-7:C[3x3,4,6]-6:H[3,3]-3:H[3]-2:H[4]-2:H-1:	C[6x3]-7:C[4x3,4,6]-7:C[3,3,4,4,6]-6:H[3,3]-3:H[4]-2:H-1:	C[4x3,4,6](C[6x3]C[3,3,4,4,6]2C[3x3,4,6]2C[4x3,4,6]C[6])(C[4x3,4,6]C[3x3,4,6]C[6x3]H[3,3]H[3]H[4]H)(C[3x3,4,6]C[3,3,4,4,6]C[6x3]H[3,3]H[4]H)(H[3,3]C[3x3,4,6]H[3])(H[3]H[3,3])(H[4]H[4])(H)	C[4x3,4,6](C[6x3]C[3,3,4,4,6]2C[3x3,4,6]2C[4x3,4,6]C[6])(C[4x3,4,6]C[3x3,4,6]C[6x3]H[3,3]H[3]H[4]H)(C[3x3,4,6]C[3,3,4,4,6]C[6x3]H[3,3]H[4]H)(H[3,3]C[3x3,4,6]H[3])(H[3]H[3,3])(H[4]H[4])(H)	C[3x3,4,6](C[6x3]C[3,3,4,4,6]2C[3x3,4,6]C[4x3,4,6]2C[6])(C[4x3,4,6]C[4x3,4,6]C[6x3]H[3,3]H[3]H[4]H)(C[3,3,4,4,6]C[3,3,4,4,6]C[6x3]H[4]2H)(H[3,3]C[4x3,4,6]H[3])(H[4]H[4])(H)	C[4x3,4,6](C[6x3]C[3,3,4,4,6]2C[3x3,4,6]2C[4x3,4,6]C[6])(C[4x3,4,6]C[3x3,4,6]C[6x3]H[3,3]H[3]H[4]H)(C[3x3,4,6]C[3,3,4,4,6]C[6x3]H[3,3]H[4]H)(H[3,3]C[3x3,4,6]H[3])(H[3]H[3,3])(H[4]H[4])(H){2|C<3>,3|H<1>,5|H<2>}	C[4x3,4,6](C[6x3]C[3,3,4,4,6]2C[3x3,4,6]2C[4x3,4,6]C[6])(C[4x3,4,6]C[3x3,4,6]C[6x3]H[3,3]H[3]H[4]H)(C[3x3,4,6]C[3,3,4,4,6]C[6x3]H[3,3]H[4]H)(H[3,3]C[3x3,4,6]H[3])(H[3]H[3,3])(H[4]H[4])(H){2|C<3>,3|H<1>,5|H<2>}	C[3x3,4,6](C[6x3]C[3,3,4,4,6]2C[3x3,4,6]C[4x3,4,6]2C[6])(C[4x3,4,6]C[4x3,4,6]C[6x3]H[3,3]H[3]H[4]H)(C[3,3,4,4,6]C[3,3,4,4,6]C[6x3]H[4]2H)(H[3,3]C[4x3,4,6]H[3])(H[4]H[4])(H){1|H<3>,2|C<3>,3|H<1>,5|H<2>}	116.6005	2.334	2	116.6005	5.448	2	116.6005	5.448	2	116.6005	5.448	2	116.6005	5.448	2	115.8277	82.213	6
238	238	362	6:SPD7_SPD6_SPD7	C[4x3,4,6]	C[5x3,6]	C[3,3,4,6]	7:6:7:2:2:2:1:	7:7:7:2:2:2:1:	7:7:7:2:1:1:	N[6x3]-7:C[3,3,4,6]-6:C[5x3,6]-7:H[3]-2:H[3]-2:H[4]-2:H-1:	N[6x3]-7:C[4x3,4,6]-7:C[3x3,6]-7:H[3]-2:H[3]-2:H[3]-2:H-1:	N[6x3]-7:C[4x3,4,6]-7:C[4x3,6]-7:H[4]-2:H-1:H-1:	C[4x3,4,6](N[6x3]C[3,3,4,6]C[3x3,6]C[4x3,6]2C[5x3,6]Ru)(C[3,3,4,6]C[4x3,6]N[6x3]H[4]HH)(C[5x3,6]C[3x3,6]N[6x3]H[3]3H)(H[3]C[5x3,6])2(H[4]H[4])(H)	C[5x3,6](N[6x3]C[3,3,4,6]C[4x3,4,6]C[3x3,6]C[4x3,6]2Ru)(C[4x3,4,6]C[3,3,4,6]N[6x3]H[3]2H[4]H)(C[3x3,6]C[4x3,6]N[6x3]H[3]H3)(H[3]C[4x3,4,6])2(H[3]C[3x3,6])(H)	C[3,3,4,6](N[6x3]C[4x3,4,6]C[3x3,6]C[4x3,6]2C[5x3,6]Ru)(C[4x3,4,6]C[5x3,6]N[6x3]H[3]2H[4]H)(C[4x3,6]C[4x3,6]N[6x3]H[3]2HH)(H[4]H[4])(H)2	C[4x3,4,6](N[6x3]C[3,3,4,6]C[3x3,6]C[4x3,6]2C[5x3,6]Ru)(C[3,3,4,6]C[4x3,6]N[6x3]H[4]HH)(C[5x3,6]C[3x3,6]N[6x3]H[3]3H)(H[3]C[5x3,6])2(H[4]H[4])(H){2|H<2>,7|H<1>}	C[5x3,6](N[6x3]C[3,3,4,6]C[4x3,4,6]C[3x3,6]C[4x3,6]2Ru)(C[4x3,4,6]C[3,3,4,6]N[6x3]H[3]2H[4]H)(C[3x3,6]C[4x3,6]N[6x3]H[3]H3)(H[3]C[4x3,4,6])2(H[3]C[3x3,6])(H){3|H<2>,6|H<1>}	C[3,3,4,6](N[6x3]C[4x3,4,6]C[3x3,6]C[4x3,6]2C[5x3,6]Ru)(C[4x3,4,6]C[5x3,6]N[6x3]H[3]2H[4]H)(C[4x3,6]C[4x3,6]N[6x3]H[3]2HH)(H[4]H[4])(H)2{1|H<2>,6|H<1>}	124.5600	0.000	1	124.5600	0.000	1	124.5600	0.000	1	124.5600	0.000	1	124.5600	0.000	1	115.8277	82.213	6
238	238	362	6:SPD7_SPD6_SPD7	C[4x3,6]	C[4x3,6]	C[3,3,4,6]	7:6:7:2:2:1:1:	7:7:7:2:2:1:1:	7:7:7:2:1:1:	N[6x3]-7:C[3,3,4,6]-6:C[4x3,6]-7:H[3]-2:H[3]-2:H-1:H-1:	N[6x3]-7:C[4x3,6]-7:C[3x3,6]-7:H[3]-2:H[3]-2:H-1:H-1:	N[6x3]-7:C[4x3,4,6]-7:C[4x3,6]-7:H[4]-2:H-1:H-1:	C[4x3,6](N[6x3]C[3,3,4,6]C[4x3,4,6]C[3x3,6]C[4x3,6]C[5x3,6]Ru)(C[3,3,4,6]C[4x3,4,6]N[6x3]H[4]HH)(C[4x3,6]C[3x3,6]N[6x3]H[3]2HH)(H[3]C[4x3,6])2(H)2	C[4x3,6](N[6x3]C[3,3,4,6]C[4x3,4,6]C[3x3,6]C[4x3,6]C[5x3,6]Ru)(C[4x3,6]C[3,3,4,6]N[6x3]H[3]2HH)(C[3x3,6]C[5x3,6]N[6x3]H[3]H3)(H[3]C[4x3,6])2(H)2	C[3,3,4,6](N[6x3]C[4x3,4,6]C[3x3,6]C[4x3,6]2C[5x3,6]Ru)(C[4x3,4,6]C[5x3,6]N[6x3]H[3]2H[4]H)(C[4x3,6]C[4x3,6]N[6x3]H[3]2HH)(H[4]H[4])(H)2	C[4x3,6](N[6x3]C[3,3,4,6]C[4x3,4,6]C[3x3,6]C[4x3,6]C[5x3,6]Ru)(C[3,3,4,6]C[4x3,4,6]N[6x3]H[4]HH)(C[4x3,6]C[3x3,6]N[6x3]H[3]2HH)(H[3]C[4x3,6])2(H)2{4|H<2>,5|H<1>}	C[4x3,6](N[6x3]C[3,3,4,6]C[4x3,4,6]C[3x3,6]C[4x3,6]C[5x3,6]Ru)(C[4x3,6]C[3,3,4,6]N[6x3]H[3]2HH)(C[3x3,6]C[5x3,6]N[6x3]H[3]H3)(H[3]C[4x3,6])2(H)2{4|H<1>,4|H<2>}	C[3,3,4,6](N[6x3]C[4x3,4,6]C[3x3,6]C[4x3,6]2C[5x3,6]Ru)(C[4x3,4,6]C[5x3,6]N[6x3]H[3]2H[4]H)(C[4x3,6]C[4x3,6]N[6x3]H[3]2HH)(H[4]H[4])(H)2{1|H<2>,6|H<1>}	125.1970	0.000	1	125.1970	0.000	1	125.1970	0.000	1	125.1970	0.000	1	125.1970	0.000	1	115.8277	82.213	6
238	238	362	6:SPD7_SPD6_SPD7	C[4x3,6]	C[4x3,6]	C[3x3,6]	7:6:7:2:2:1:1:	7:7:7:2:2:1:1:	7:8:7:3:1:1:	C[6x3]-7:C[3x3,6]-6:C[4x3,6]-7:H[3]-2:H[3]-2:H-1:H-1:	C[6x3]-7:C[4x3,6]-7:C[3x3,6]-7:H[3]-2:H[3]-2:H-1:H-1:	C[6x3]-7:C[5x3,6]-8:C[4x3,6]-7:H[3,3]-3:H-1:H-1:	C[4x3,6](C[6x3]C[3x3,6]2C[4x3,6]2C[5x3,6]C[6a])(C[3x3,6]C[5x3,6]C[6x3]H[3,3]HH)(C[4x3,6]C[3x3,6]C[6x3]H[3]2HH)(H[3]C[4x3,6])2(H)2	C[4x3,6](C[6x3]C[3x3,6]2C[4x3,6]2C[5x3,6]C[6a])(C[4x3,6]C[3x3,6]C[6x3]H[3]2HH)(C[3x3,6]C[4x3,6]C[6x3]H[3]H3)(H[3]C[4x3,6])2(H)2	C[3x3,6](C[6x3]C[3x3,6]C[4x3,6]3C[5x3,6]C[6a])(C[5x3,6]C[4x3,6]C[6x3]H[3,3]H[3]2HH)(C[4x3,6]C[4x3,6]C[6x3]H[3]2HH)(H[3,3]C[5x3,6]H[3])(H)2	C[4x3,6](C[6x3]C[3x3,6]2C[4x3,6]2C[5x3,6]C[6a])(C[3x3,6]C[5x3,6]C[6x3]H[3,3]HH)(C[4x3,6]C[3x3,6]C[6x3]H[3]2HH)(H[3]C[4x3,6])2(H)2{2|C<3>,3|H<2>,6|H<1>}	C[4x3,6](C[6x3]C[3x3,6]2C[4x3,6]2C[5x3,6]C[6a])(C[4x3,6]C[3x3,6]C[6x3]H[3]2HH)(C[3x3,6]C[4x3,6]C[6x3]H[3]H3)(H[3]C[4x3,6])2(H)2{1|H<3>,2|C<3>,2|H<2>,5|H<1>}	C[3x3,6](C[6x3]C[3x3,6]C[4x3,6]3C[5x3,6]C[6a])(C[5x3,6]C[4x3,6]C[6x3]H[3,3]H[3]2HH)(C[4x3,6]C[4x3,6]C[6x3]H[3]2HH)(H[3,3]C[5x3,6]H[3])(H)2{1|H<2>,2|C<3>,6|H<1>}	110.8710	0.000	1	110.8710	0.000	1	110.8710	0.000	1	110.8710	0.000	1	110.8710	0.000	1	115.8277	82.213	6
238	238	398	0:SPD7_SP-NON_SPD7	C[3,3,3x4]	C[4x3,4,4]	H[3,4,4]	7:7:3:2:2:1:1:	7:8:7:7:5:4:3:	7:4:2:	C[4x3,4,4]-7:C[4x3]-7:H[3,4,4]-3:H[3]-2:H[4,4]-2:H-1:H-1:	C[3,3,3x4]-7:C[5x3]-8:C[4x3]-7:C[4x3]-7:C[3x3]-5:C[3x4]-4:C[6a]-3:	C[3,3,3x4]-7:C[3x4]-4:H[3]-2:	C[3,3,3x4](C[4x3,4,4]C[3x3]C[3x4]C[4x3]2C[5x3]C[6a])(C[4x3]C[4x3,4,4]C[4x3]H[3]2HH)(H[3,4,4]C[3x4]H[3])(H[3]H[3,4,4])(H[4,4]C[3x4])(H)2	C[4x3,4,4](C[3,3,3x4]H[3,4,4]C[4x3]H[4,4]H[3]HH)(C[5x3]C[3x3]C[4x3]H[3,3]H[3]2HH)(C[4x3]C[3,3,3x4]C[4x3]H[3]2HH)(C[4x3]C[4x3]C[5x3]H[3]2HH)(C[3x3]C[5x3]H[3,3]H[3]H)(C[3x4]H[3,4,4]H[4,4]H)(C[6a]C[6a]2)	H[3,4,4](C[3,3,3x4]C[4x3,4,4]C[4x3]H[4,4]H[3]HH)(C[3x4]C[4x3,4,4]H[4,4]H)(H[3]C[3,3,3x4])	C[3,3,3x4](C[4x3,4,4]C[3x3]C[3x4]C[4x3]2C[5x3]C[6a])(C[4x3]C[4x3,4,4]C[4x3]H[3]2HH)(H[3,4,4]C[3x4]H[3])(H[3]H[3,4,4])(H[4,4]C[3x4])(H)2{1|H<3>,2|C<3>,2|H<2>,6|H<1>}	C[4x3,4,4](C[3,3,3x4]H[3,4,4]C[4x3]H[4,4]H[3]HH)(C[5x3]C[3x3]C[4x3]H[3,3]H[3]2HH)(C[4x3]C[3,3,3x4]C[4x3]H[3]2HH)(C[4x3]C[4x3]C[5x3]H[3]2HH)(C[3x3]C[5x3]H[3,3]H[3]H)(C[3x4]H[3,4,4]H[4,4]H)(C[6a]C[6a]2){2|C<3>,2|H<1>}	H[3,4,4](C[3,3,3x4]C[4x3,4,4]C[4x3]H[4,4]H[3]HH)(C[3x4]C[4x3,4,4]H[4,4]H)(H[3]C[3,3,3x4])	104.2730	0.000	1	104.2730	0.000	1	104.2730	0.000	1	104.2730	0.000	1	104.2730	0.000	1	121.2794	790.146	6
238	238	398	0:SPD7_SP-NON_SPD7	C[3,3,3x4]	C[4x3]	H[3,4,4]	7:7:3:2:2:1:1:	7:7:7:2:2:1:1:	7:4:2:	C[4x3,4,4]-7:C[4x3]-7:H[3,4,4]-3:H[3]-2:H[4,4]-2:H-1:H-1:	C[4x3,4,4]-7:C[3,3,3x4]-7:C[4x3]-7:H[3]-2:H[3]-2:H-1:H-1:	C[3,3,3x4]-7:C[3x4]-4:H[3]-2:	C[3,3,3x4](C[4x3,4,4]C[3x3]C[3x4]C[4x3]2C[5x3]C[6a])(C[4x3]C[4x3,4,4]C[4x3]H[3]2HH)(H[3,4,4]C[3x4]H[3])(H[3]H[3,4,4])(H[4,4]C[3x4])(H)2	C[4x3](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]C[5x3]C[6a])(C[3,3,3x4]C[4x3,4,4]H[3,4,4]H[4,4]H[3]HH)(C[4x3]C[4x3,4,4]C[5x3]H[3]2HH)(H[3]C[4x3])2(H)2	H[3,4,4](C[3,3,3x4]C[4x3,4,4]C[4x3]H[4,4]H[3]HH)(C[3x4]C[4x3,4,4]H[4,4]H)(H[3]C[3,3,3x4])	C[3,3,3x4](C[4x3,4,4]C[3x3]C[3x4]C[4x3]2C[5x3]C[6a])(C[4x3]C[4x3,4,4]C[4x3]H[3]2HH)(H[3,4,4]C[3x4]H[3])(H[3]H[3,4,4])(H[4,4]C[3x4])(H)2{1|H<3>,2|C<3>,2|H<2>,6|H<1>}	C[4x3](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]C[5x3]C[6a])(C[3,3,3x4]C[4x3,4,4]H[3,4,4]H[4,4]H[3]HH)(C[4x3]C[4x3,4,4]C[5x3]H[3]2HH)(H[3]C[4x3])2(H)2{1|H<3>,2|C<3>,2|H<2>,4|H<1>}	H[3,4,4](C[3,3,3x4]C[4x3,4,4]C[4x3]H[4,4]H[3]HH)(C[3x4]C[4x3,4,4]H[4,4]H)(H[3]C[3,3,3x4])	121.6660	0.000	1	121.6660	0.000	1	121.6660	0.000	1	121.6660	0.000	1	121.6660	0.000	1	121.2794	790.146	6
238	238	398	0:SPD7_SP-NON_SPD7	C[4x3,4,6]	C[4x3,4,6]	H[3,3]	7:7:6:3:2:2:1:	7:7:6:3:2:2:1:	7:6:2:	C[6x3]-7:C[4x3,4,6]-7:C[3x3,4,6]-6:H[3,3]-3:H[3]-2:H[4]-2:H-1:	C[6x3]-7:C[4x3,4,6]-7:C[3x3,4,6]-6:H[3,3]-3:H[3]-2:H[4]-2:H-1:	C[4x3,4,6]-7:C[3x3,4,6]-6:H[3]-2:	C[4x3,4,6](C[6x3]C[3,3,4,4,6]2C[3x3,4,6]2C[4x3,4,6]C[6])(C[4x3,4,6]C[3x3,4,6]C[6x3]H[3,3]H[3]H[4]H)(C[3x3,4,6]C[3,3,4,4,6]C[6x3]H[3,3]H[4]H)(H[3,3]C[3x3,4,6]H[3])(H[3]H[3,3])(H[4]H[4])(H)	C[4x3,4,6](C[6x3]C[3,3,4,4,6]2C[3x3,4,6]2C[4x3,4,6]C[6])(C[4x3,4,6]C[3x3,4,6]C[6x3]H[3,3]H[3]H[4]H)(C[3x3,4,6]C[3,3,4,4,6]C[6x3]H[3,3]H[4]H)(H[3,3]C[3x3,4,6]H[3])(H[3]H[3,3])(H[4]H[4])(H)	H[3,3](C[4x3,4,6]C[3x3,4,6]C[4x3,4,6]C[6x3]H[3]H[4]H)(C[3x3,4,6]C[3,3,4,4,6]C[4x3,4,6]C[6x3]H[4]H)(H[3]C[4x3,4,6])	C[4x3,4,6](C[6x3]C[3,3,4,4,6]2C[3x3,4,6]2C[4x3,4,6]C[6])(C[4x3,4,6]C[3x3,4,6]C[6x3]H[3,3]H[3]H[4]H)(C[3x3,4,6]C[3,3,4,4,6]C[6x3]H[3,3]H[4]H)(H[3,3]C[3x3,4,6]H[3])(H[3]H[3,3])(H[4]H[4])(H){2|C<3>,3|H<1>,5|H<2>}	C[4x3,4,6](C[6x3]C[3,3,4,4,6]2C[3x3,4,6]2C[4x3,4,6]C[6])(C[4x3,4,6]C[3x3,4,6]C[6x3]H[3,3]H[3]H[4]H)(C[3x3,4,6]C[3,3,4,4,6]C[6x3]H[3,3]H[4]H)(H[3,3]C[3x3,4,6]H[3])(H[3]H[3,3])(H[4]H[4])(H){2|C<3>,3|H<1>,5|H<2>}	H[3,3](C[4x3,4,6]C[3x3,4,6]C[4x3,4,6]C[6x3]H[3]H[4]H)(C[3x3,4,6]C[3,3,4,4,6]C[4x3,4,6]C[6x3]H[4]H)(H[3]C[4x3,4,6])	155.3995	0.442	2	155.3995	0.195	2	155.3995	0.195	2	155.3995	0.195	2	155.3995	0.195	2	121.2794	790.146	6
238	238	398	0:SPD7_SP-NON_SPD7	C[4x3,4,6]	C[6x3]	H[3,3]	7:7:6:3:2:2:1:	7:7:6:6:6:6:3:	7:6:2:	C[6x3]-7:C[4x3,4,6]-7:C[3x3,4,6]-6:H[3,3]-3:H[3]-2:H[4]-2:H-1:	C[4x3,4,6]-7:C[4x3,4,6]-7:C[3x3,4,6]-6:C[3x3,4,6]-6:C[3,3,4,4,6]-6:C[3,3,4,4,6]-6:C[6]-3:	C[4x3,4,6]-7:C[3x3,4,6]-6:H[3]-2:	C[4x3,4,6](C[6x3]C[3,3,4,4,6]2C[3x3,4,6]2C[4x3,4,6]C[6])(C[4x3,4,6]C[3x3,4,6]C[6x3]H[3,3]H[3]H[4]H)(C[3x3,4,6]C[3,3,4,4,6]C[6x3]H[3,3]H[4]H)(H[3,3]C[3x3,4,6]H[3])(H[3]H[3,3])(H[4]H[4])(H)	C[6x3](C[4x3,4,6]C[3x3,4,6]C[4x3,4,6]H[3,3]H[3]H[4]H)2(C[3x3,4,6]C[3,3,4,4,6]C[4x3,4,6]H[3,3]H[4]H)2(C[3,3,4,4,6]C[3,3,4,4,6]C[3x3,4,6]H[4]2H)2(C[6]C[6]2)	H[3,3](C[4x3,4,6]C[3x3,4,6]C[4x3,4,6]C[6x3]H[3]H[4]H)(C[3x3,4,6]C[3,3,4,4,6]C[4x3,4,6]C[6x3]H[4]H)(H[3]C[4x3,4,6])	C[4x3,4,6](C[6x3]C[3,3,4,4,6]2C[3x3,4,6]2C[4x3,4,6]C[6])(C[4x3,4,6]C[3x3,4,6]C[6x3]H[3,3]H[3]H[4]H)(C[3x3,4,6]C[3,3,4,4,6]C[6x3]H[3,3]H[4]H)(H[3,3]C[3x3,4,6]H[3])(H[3]H[3,3])(H[4]H[4])(H){2|C<3>,3|H<1>,5|H<2>}	C[6x3](C[4x3,4,6]C[3x3,4,6]C[4x3,4,6]H[3,3]H[3]H[4]H)2(C[3x3,4,6]C[3,3,4,4,6]C[4x3,4,6]H[3,3]H[4]H)2(C[3,3,4,4,6]C[3,3,4,4,6]C[3x3,4,6]H[4]2H)2(C[6]C[6]2){2|C<3>,2|H<1>}	H[3,3](C[4x3,4,6]C[3x3,4,6]C[4x3,4,6]C[6x3]H[3]H[4]H)(C[3x3,4,6]C[3,3,4,4,6]C[4x3,4,6]C[6x3]H[4]H)(H[3]C[4x3,4,6])	95.4693	0.695	2	95.4693	0.482	2	95.4693	0.482	2	95.4693	0.482	2	95.4693	0.482	2	121.2794	790.146	6
238	238	478	0:SPD7_SP3_SPD7	C[4x3,4,4]	C[4x3]	C[3x4]	7:8:7:7:5:4:3:	7:7:7:2:2:1:1:	7:3:2:1:	C[3,3,3x4]-7:C[5x3]-8:C[4x3]-7:C[4x3]-7:C[3x3]-5:C[3x4]-4:C[6a]-3:	C[4x3,4,4]-7:C[3,3,3x4]-7:C[4x3]-7:H[3]-2:H[3]-2:H-1:H-1:	C[4x3,4,4]-7:H[3,4,4]-3:H[4,4]-2:H-1:	C[4x3,4,4](C[3,3,3x4]H[3,4,4]C[4x3]H[4,4]H[3]HH)(C[5x3]C[3x3]C[4x3]H[3,3]H[3]2HH)(C[4x3]C[3,3,3x4]C[4x3]H[3]2HH)(C[4x3]C[4x3]C[5x3]H[3]2HH)(C[3x3]C[5x3]H[3,3]H[3]H)(C[3x4]H[3,4,4]H[4,4]H)(C[6a]C[6a]2)	C[4x3](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]C[5x3]C[6a])(C[3,3,3x4]C[4x3,4,4]H[3,4,4]H[4,4]H[3]HH)(C[4x3]C[4x3,4,4]C[5x3]H[3]2HH)(H[3]C[4x3])2(H)2	C[3x4](C[4x3,4,4]C[3,3,3x4]C[3x3]C[4x3]2C[5x3]C[6a])(H[3,4,4]C[3,3,3x4]H[3])(H[4,4]C[3,3,3x4])(H)	C[4x3,4,4](C[3,3,3x4]H[3,4,4]C[4x3]H[4,4]H[3]HH)(C[5x3]C[3x3]C[4x3]H[3,3]H[3]2HH)(C[4x3]C[3,3,3x4]C[4x3]H[3]2HH)(C[4x3]C[4x3]C[5x3]H[3]2HH)(C[3x3]C[5x3]H[3,3]H[3]H)(C[3x4]H[3,4,4]H[4,4]H)(C[6a]C[6a]2){2|C<3>,2|H<1>}	C[4x3](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]C[5x3]C[6a])(C[3,3,3x4]C[4x3,4,4]H[3,4,4]H[4,4]H[3]HH)(C[4x3]C[4x3,4,4]C[5x3]H[3]2HH)(H[3]C[4x3])2(H)2{1|H<3>,2|C<3>,2|H<2>,4|H<1>}	C[3x4](C[4x3,4,4]C[3,3,3x4]C[3x3]C[4x3]2C[5x3]C[6a])(H[3,4,4]C[3,3,3x4]H[3])(H[4,4]C[3,3,3x4])(H){1|H<3>,2|C<3>,4|H<2>,9|H<1>}	96.5271	0.000	1	96.5271	0.000	1	96.5271	0.000	1	96.5271	0.000	1	115.3646	709.699	2	115.3646	709.699	2
238	238	478	0:SPD7_SP3_SPD7	C[4x3,4,4]	C[4x3]	C[3x4]	7:8:7:7:5:4:3:	7:8:7:2:2:1:1:	7:3:2:1:	C[3,3,3x4]-7:C[5x3]-8:C[4x3]-7:C[4x3]-7:C[3x3]-5:C[3x4]-4:C[6a]-3:	C[4x3,4,4]-7:C[5x3]-8:C[4x3]-7:H[3]-2:H[3]-2:H-1:H-1:	C[4x3,4,4]-7:H[3,4,4]-3:H[4,4]-2:H-1:	C[4x3,4,4](C[3,3,3x4]H[3,4,4]C[4x3]H[4,4]H[3]HH)(C[5x3]C[3x3]C[4x3]H[3,3]H[3]2HH)(C[4x3]C[3,3,3x4]C[4x3]H[3]2HH)(C[4x3]C[4x3]C[5x3]H[3]2HH)(C[3x3]C[5x3]H[3,3]H[3]H)(C[3x4]H[3,4,4]H[4,4]H)(C[6a]C[6a]2)	C[4x3](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]C[5x3]C[6a])(C[5x3]C[4x3,4,4]C[3x3]H[3,3]H[3]2HH)(C[4x3]C[3,3,3x4]C[4x3,4,4]H[3]2HH)(H[3]C[4x3])2(H)2	C[3x4](C[4x3,4,4]C[3,3,3x4]C[3x3]C[4x3]2C[5x3]C[6a])(H[3,4,4]C[3,3,3x4]H[3])(H[4,4]C[3,3,3x4])(H)	C[4x3,4,4](C[3,3,3x4]H[3,4,4]C[4x3]H[4,4]H[3]HH)(C[5x3]C[3x3]C[4x3]H[3,3]H[3]2HH)(C[4x3]C[3,3,3x4]C[4x3]H[3]2HH)(C[4x3]C[4x3]C[5x3]H[3]2HH)(C[3x3]C[5x3]H[3,3]H[3]H)(C[3x4]H[3,4,4]H[4,4]H)(C[6a]C[6a]2){2|C<3>,2|H<1>}	C[4x3](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]C[5x3]C[6a])(C[5x3]C[4x3,4,4]C[3x3]H[3,3]H[3]2HH)(C[4x3]C[3,3,3x4]C[4x3,4,4]H[3]2HH)(H[3]C[4x3])2(H)2{1|H<3>,2|C<3>,2|H<2>,4|H<1>}	C[3x4](C[4x3,4,4]C[3,3,3x4]C[3x3]C[4x3]2C[5x3]C[6a])(H[3,4,4]C[3,3,3x4]H[3])(H[4,4]C[3,3,3x4])(H){1|H<3>,2|C<3>,4|H<2>,9|H<1>}	134.2020	0.000	1	134.2020	0.000	1	134.2020	0.000	1	134.2020	0.000	1	115.3646	709.699	2	115.3646	709.699	2
238	238	478	4:SPD7_SP3_SPD7	C[4x3,4,4]	C[3,3,3x4]	C[3x4]	7:8:7:7:5:4:3:	7:7:3:2:2:1:1:	7:3:2:1:	C[3,3,3x4]-7:C[5x3]-8:C[4x3]-7:C[4x3]-7:C[3x3]-5:C[3x4]-4:C[6a]-3:	C[4x3,4,4]-7:C[4x3]-7:H[3,4,4]-3:H[3]-2:H[4,4]-2:H-1:H-1:	C[4x3,4,4]-7:H[3,4,4]-3:H[4,4]-2:H-1:	C[4x3,4,4](C[3,3,3x4]H[3,4,4]C[4x3]H[4,4]H[3]HH)(C[5x3]C[3x3]C[4x3]H[3,3]H[3]2HH)(C[4x3]C[3,3,3x4]C[4x3]H[3]2HH)(C[4x3]C[4x3]C[5x3]H[3]2HH)(C[3x3]C[5x3]H[3,3]H[3]H)(C[3x4]H[3,4,4]H[4,4]H)(C[6a]C[6a]2)	C[3,3,3x4](C[4x3,4,4]C[3x3]C[3x4]C[4x3]2C[5x3]C[6a])(C[4x3]C[4x3,4,4]C[4x3]H[3]2HH)(H[3,4,4]C[3x4]H[3])(H[3]H[3,4,4])(H[4,4]C[3x4])(H)2	C[3x4](C[4x3,4,4]C[3,3,3x4]C[3x3]C[4x3]2C[5x3]C[6a])(H[3,4,4]C[3,3,3x4]H[3])(H[4,4]C[3,3,3x4])(H)	C[4x3,4,4](C[3,3,3x4]H[3,4,4]C[4x3]H[4,4]H[3]HH)(C[5x3]C[3x3]C[4x3]H[3,3]H[3]2HH)(C[4x3]C[3,3,3x4]C[4x3]H[3]2HH)(C[4x3]C[4x3]C[5x3]H[3]2HH)(C[3x3]C[5x3]H[3,3]H[3]H)(C[3x4]H[3,4,4]H[4,4]H)(C[6a]C[6a]2){2|C<3>,2|H<1>}	C[3,3,3x4](C[4x3,4,4]C[3x3]C[3x4]C[4x3]2C[5x3]C[6a])(C[4x3]C[4x3,4,4]C[4x3]H[3]2HH)(H[3,4,4]C[3x4]H[3])(H[3]H[3,4,4])(H[4,4]C[3x4])(H)2{1|H<3>,2|C<3>,2|H<2>,6|H<1>}	C[3x4](C[4x3,4,4]C[3,3,3x4]C[3x3]C[4x3]2C[5x3]C[6a])(H[3,4,4]C[3,3,3x4]H[3])(H[4,4]C[3,3,3x4])(H){1|H<3>,2|C<3>,4|H<2>,9|H<1>}	33.3503	0.000	1	33.3503	0.000	1	33.3503	0.000	1	33.3503	0.000	1	33.3503	0.000	1	33.3503	0.000	1
238	238	643	0:SPD7_SP2_SPD7	C[3x3,3x4]	C[4x3]	C[6a]	6:7:7:5:6:6:3:	7:7:6:2:2:1:1:	7:3:3:	C[3,6x4]-6:C[4x3]-7:C[4x3]-7:C[6x4]-5:C[3x3]-6:C[3x3]-6:C[6a]-3:	C[3x3,3x4]-7:C[4x3]-7:C[3x3]-6:H[3]-2:H[3]-2:H-1:H-1:	C[3x3,3x4]-7:C[6a]-3:C[6a]-3:	C[3x3,3x4](C[3,6x4]H[3,3x4]H[3x4]2H[3]H)(C[4x3]C[3x3]C[4x3]H[3]2HH)2(C[6x4]H[3,3x4]H[3x4]2H)(C[3x3]C[4x3]H[3]2HH)2(C[6a]C[6a]2)	C[4x3](C[3x3,3x4]C[3,6x4]C[3x3]2C[4x3]C[6x4]C[6a])(C[4x3]C[3x3,3x4]C[3x3]H[3]2HH)(C[3x3]C[3x3,3x4]H[3]2HH)(H[3]C[3x3])2(H)2	C[6a](C[3x3,3x4]C[3,6x4]C[3x3]2C[4x3]2C[6x4])(C[6a]C[6a]H)2	C[3x3,3x4](C[3,6x4]H[3,3x4]H[3x4]2H[3]H)(C[4x3]C[3x3]C[4x3]H[3]2HH)2(C[6x4]H[3,3x4]H[3x4]2H)(C[3x3]C[4x3]H[3]2HH)2(C[6a]C[6a]2){2|C<3>,2|H<1>}	C[4x3](C[3x3,3x4]C[3,6x4]C[3x3]2C[4x3]C[6x4]C[6a])(C[4x3]C[3x3,3x4]C[3x3]H[3]2HH)(C[3x3]C[3x3,3x4]H[3]2HH)(H[3]C[3x3])2(H)2{1|H<3>,2|C<3>,3|H<2>,4|H<1>}	C[6a](C[3x3,3x4]C[3,6x4]C[3x3]2C[4x3]2C[6x4])(C[6a]C[6a]H)2{10|H<1>,1|C<3>,1|H<3>,2|C<4>,7|H<2>}	111.4195	3.741	2	111.4195	13.997	2	111.4195	13.997	2	111.4195	13.997	2	111.4195	13.997	2	113.6843	36.312	10
238	238	643	0:SPD7_SP2_SPD7	C[3x3]	C[4x3]	C[6a]	7:7:3:2:2:1:1:	7:7:2:2:2:1:1:	7:3:3:	C[4x3]-7:C[4x3]-7:C[6a]-3:H[3]-2:H[3]-2:H-1:H-1:	C[3x3]-7:C[4x3]-7:H[3]-2:H[3]-2:H[3]-2:H-1:H-1:	C[3x3]-7:C[6a]-3:C[6a]-3:	C[3x3](C[4x3]C[4x3]H[3]3HH)2(C[6a]C[6a]2)(H[3]C[4x3])2(H)2	C[4x3](C[3x3]C[4x3]C[6a]H[3]2HH)(C[4x3]C[3x3]H[3]3HH)(H[3]C[3x3])(H[3]C[4x3])2(H)2	C[6a](C[3x3]C[4x3]2H[3]2HH)(C[6a]C[6,6a]H)(C[6a]C[6a]C)	C[3x3](C[4x3]C[4x3]H[3]3HH)2(C[6a]C[6a]2)(H[3]C[4x3])2(H)2{1|H<1>,3|C<3>}	C[4x3](C[3x3]C[4x3]C[6a]H[3]2HH)(C[4x3]C[3x3]H[3]3HH)(H[3]C[3x3])(H[3]C[4x3])2(H)2{2|C<3>}	C[6a](C[3x3]C[4x3]2H[3]2HH)(C[6a]C[6,6a]H)(C[6a]C[6a]C){1|O<2>,2|C<3>,2|H<2>,4|H<1>}	123.9200	3.364	2	123.9200	11.319	2	123.9200	11.319	2	123.9200	11.319	2	123.9200	11.319	2	113.6843	36.312	10
238	238	643	0:SPD7_SP2_SPD7	C[4x3,4,4]	C[3,3,3x4]	C[6a]	7:8:7:7:5:4:3:	7:7:3:2:2:1:1:	7:3:3:	C[3,3,3x4]-7:C[5x3]-8:C[4x3]-7:C[4x3]-7:C[3x3]-5:C[3x4]-4:C[6a]-3:	C[4x3,4,4]-7:C[4x3]-7:H[3,4,4]-3:H[3]-2:H[4,4]-2:H-1:H-1:	C[4x3,4,4]-7:C[6a]-3:C[6a]-3:	C[4x3,4,4](C[3,3,3x4]H[3,4,4]C[4x3]H[4,4]H[3]HH)(C[5x3]C[3x3]C[4x3]H[3,3]H[3]2HH)(C[4x3]C[3,3,3x4]C[4x3]H[3]2HH)(C[4x3]C[4x3]C[5x3]H[3]2HH)(C[3x3]C[5x3]H[3,3]H[3]H)(C[3x4]H[3,4,4]H[4,4]H)(C[6a]C[6a]2)	C[3,3,3x4](C[4x3,4,4]C[3x3]C[3x4]C[4x3]2C[5x3]C[6a])(C[4x3]C[4x3,4,4]C[4x3]H[3]2HH)(H[3,4,4]C[3x4]H[3])(H[3]H[3,4,4])(H[4,4]C[3x4])(H)2	C[6a](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]2C[5x3])(C[6a]C[6a]H)2	C[4x3,4,4](C[3,3,3x4]H[3,4,4]C[4x3]H[4,4]H[3]HH)(C[5x3]C[3x3]C[4x3]H[3,3]H[3]2HH)(C[4x3]C[3,3,3x4]C[4x3]H[3]2HH)(C[4x3]C[4x3]C[5x3]H[3]2HH)(C[3x3]C[5x3]H[3,3]H[3]H)(C[3x4]H[3,4,4]H[4,4]H)(C[6a]C[6a]2){2|C<3>,2|H<1>}	C[3,3,3x4](C[4x3,4,4]C[3x3]C[3x4]C[4x3]2C[5x3]C[6a])(C[4x3]C[4x3,4,4]C[4x3]H[3]2HH)(H[3,4,4]C[3x4]H[3])(H[3]H[3,4,4])(H[4,4]C[3x4])(H)2{1|H<3>,2|C<3>,2|H<2>,6|H<1>}	C[6a](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]2C[5x3])(C[6a]C[6a]H)2{10|H<1>,1|C<3>,2|C<4>,2|H<3>,6|H<2>}	114.9170	0.000	1	114.9170	0.000	1	114.9170	0.000	1	114.9170	0.000	1	114.9170	0.000	1	113.6843	36.312	10
238	238	643	0:SPD7_SP2_SPD7	C[4x3,4,4]	C[4x3]	C[6a]	7:8:7:7:5:4:3:	7:7:7:2:2:1:1:	7:3:3:	C[3,3,3x4]-7:C[5x3]-8:C[4x3]-7:C[4x3]-7:C[3x3]-5:C[3x4]-4:C[6a]-3:	C[4x3,4,4]-7:C[3,3,3x4]-7:C[4x3]-7:H[3]-2:H[3]-2:H-1:H-1:	C[4x3,4,4]-7:C[6a]-3:C[6a]-3:	C[4x3,4,4](C[3,3,3x4]H[3,4,4]C[4x3]H[4,4]H[3]HH)(C[5x3]C[3x3]C[4x3]H[3,3]H[3]2HH)(C[4x3]C[3,3,3x4]C[4x3]H[3]2HH)(C[4x3]C[4x3]C[5x3]H[3]2HH)(C[3x3]C[5x3]H[3,3]H[3]H)(C[3x4]H[3,4,4]H[4,4]H)(C[6a]C[6a]2)	C[4x3](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]C[5x3]C[6a])(C[3,3,3x4]C[4x3,4,4]H[3,4,4]H[4,4]H[3]HH)(C[4x3]C[4x3,4,4]C[5x3]H[3]2HH)(H[3]C[4x3])2(H)2	C[6a](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]2C[5x3])(C[6a]C[6a]H)2	C[4x3,4,4](C[3,3,3x4]H[3,4,4]C[4x3]H[4,4]H[3]HH)(C[5x3]C[3x3]C[4x3]H[3,3]H[3]2HH)(C[4x3]C[3,3,3x4]C[4x3]H[3]2HH)(C[4x3]C[4x3]C[5x3]H[3]2HH)(C[3x3]C[5x3]H[3,3]H[3]H)(C[3x4]H[3,4,4]H[4,4]H)(C[6a]C[6a]2){2|C<3>,2|H<1>}	C[4x3](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]C[5x3]C[6a])(C[3,3,3x4]C[4x3,4,4]H[3,4,4]H[4,4]H[3]HH)(C[4x3]C[4x3,4,4]C[5x3]H[3]2HH)(H[3]C[4x3])2(H)2{1|H<3>,2|C<3>,2|H<2>,4|H<1>}	C[6a](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]2C[5x3])(C[6a]C[6a]H)2{10|H<1>,1|C<3>,2|C<4>,2|H<3>,6|H<2>}	108.2940	0.000	1	108.2940	0.000	1	108.2940	0.000	1	108.2940	0.000	1	108.3085	0.000	2	113.6843	36.312	10
238	238	643	0:SPD7_SP2_SPD7	C[4x3,4,4]	C[4x3]	C[6a]	7:8:7:7:5:4:3:	7:8:7:2:2:1:1:	7:3:3:	C[3,3,3x4]-7:C[5x3]-8:C[4x3]-7:C[4x3]-7:C[3x3]-5:C[3x4]-4:C[6a]-3:	C[4x3,4,4]-7:C[5x3]-8:C[4x3]-7:H[3]-2:H[3]-2:H-1:H-1:	C[4x3,4,4]-7:C[6a]-3:C[6a]-3:	C[4x3,4,4](C[3,3,3x4]H[3,4,4]C[4x3]H[4,4]H[3]HH)(C[5x3]C[3x3]C[4x3]H[3,3]H[3]2HH)(C[4x3]C[3,3,3x4]C[4x3]H[3]2HH)(C[4x3]C[4x3]C[5x3]H[3]2HH)(C[3x3]C[5x3]H[3,3]H[3]H)(C[3x4]H[3,4,4]H[4,4]H)(C[6a]C[6a]2)	C[4x3](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]C[5x3]C[6a])(C[5x3]C[4x3,4,4]C[3x3]H[3,3]H[3]2HH)(C[4x3]C[3,3,3x4]C[4x3,4,4]H[3]2HH)(H[3]C[4x3])2(H)2	C[6a](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]2C[5x3])(C[6a]C[6a]H)2	C[4x3,4,4](C[3,3,3x4]H[3,4,4]C[4x3]H[4,4]H[3]HH)(C[5x3]C[3x3]C[4x3]H[3,3]H[3]2HH)(C[4x3]C[3,3,3x4]C[4x3]H[3]2HH)(C[4x3]C[4x3]C[5x3]H[3]2HH)(C[3x3]C[5x3]H[3,3]H[3]H)(C[3x4]H[3,4,4]H[4,4]H)(C[6a]C[6a]2){2|C<3>,2|H<1>}	C[4x3](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]C[5x3]C[6a])(C[5x3]C[4x3,4,4]C[3x3]H[3,3]H[3]2HH)(C[4x3]C[3,3,3x4]C[4x3,4,4]H[3]2HH)(H[3]C[4x3])2(H)2{1|H<3>,2|C<3>,2|H<2>,4|H<1>}	C[6a](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]2C[5x3])(C[6a]C[6a]H)2{10|H<1>,1|C<3>,2|C<4>,2|H<3>,6|H<2>}	108.3230	0.000	1	108.3230	0.000	1	108.3230	0.000	1	108.3230	0.000	1	108.3085	0.000	2	113.6843	36.312	10
238	238	643	0:SPD7_SP2_SPD7	C[6x3]	C[3x3,6]	C[6a]	8:6:7:7:6:7:3:	7:7:6:2:1:1:1:	7:3:3:	C[5x3,6]-8:C[3x3,6]-6:C[4x3,6]-7:C[4x3,6]-7:C[4x3,6]-6:C[3x3,6]-7:C[6a]-3:	C[6x3]-7:C[4x3,6]-7:C[4x3,6]-6:H[3]-2:H-1:H-1:H-1:	C[6x3]-7:C[6a]-3:C[6a]-3:	C[6x3](C[5x3,6]C[3x3,6]C[4x3,6]H[3,3]H[3]2HH)(C[3x3,6]C[4x3,6]C[5x3,6]H[3,3]HH)(C[4x3,6]C[3x3,6]C[4x3,6]H[3]2HH)2(C[4x3,6]C[3x3,6]C[5x3,6]H[3]2H)(C[3x3,6]C[4x3,6]2H[3]H3)(C[6a]C[6a]2)	C[3x3,6](C[6x3]C[3x3,6]C[4x3,6]3C[5x3,6]C[6a])(C[4x3,6]C[4x3,6]C[6x3]H[3]2HH)(C[4x3,6]C[5x3,6]C[6x3]H[3]2H)(H[3]C[4x3,6])(H)3	C[6a](C[6x3]C[3x3,6]2C[4x3,6]3C[5x3,6])(C[6a]C[6a]H)2	C[6x3](C[5x3,6]C[3x3,6]C[4x3,6]H[3,3]H[3]2HH)(C[3x3,6]C[4x3,6]C[5x3,6]H[3,3]HH)(C[4x3,6]C[3x3,6]C[4x3,6]H[3]2HH)2(C[4x3,6]C[3x3,6]C[5x3,6]H[3]2H)(C[3x3,6]C[4x3,6]2H[3]H3)(C[6a]C[6a]2){2|C<3>,2|H<1>}	C[3x3,6](C[6x3]C[3x3,6]C[4x3,6]3C[5x3,6]C[6a])(C[4x3,6]C[4x3,6]C[6x3]H[3]2HH)(C[4x3,6]C[5x3,6]C[6x3]H[3]2H)(H[3]C[4x3,6])(H)3{1|H<2>,1|H<3>,2|C<3>,6|H<1>}	C[6a](C[6x3]C[3x3,6]2C[4x3,6]3C[5x3,6])(C[6a]C[6a]H)2{14|H<1>,1|C<3>,1|H<3>,5|H<2>}	109.1490	0.000	1	109.1490	0.000	1	109.1490	0.000	1	109.1490	0.000	1	109.1490	0.000	1	113.6843	36.312	10
238	238	643	0:SPD7_SP2_SPD7	C[6x3]	C[4x3,6]	C[6a]	8:6:7:7:6:7:3:	7:6:7:2:2:1:1:	7:3:3:	C[5x3,6]-8:C[3x3,6]-6:C[4x3,6]-7:C[4x3,6]-7:C[4x3,6]-6:C[3x3,6]-7:C[6a]-3:	C[6x3]-7:C[3x3,6]-6:C[4x3,6]-7:H[3]-2:H[3]-2:H-1:H-1:	C[6x3]-7:C[6a]-3:C[6a]-3:	C[6x3](C[5x3,6]C[3x3,6]C[4x3,6]H[3,3]H[3]2HH)(C[3x3,6]C[4x3,6]C[5x3,6]H[3,3]HH)(C[4x3,6]C[3x3,6]C[4x3,6]H[3]2HH)2(C[4x3,6]C[3x3,6]C[5x3,6]H[3]2H)(C[3x3,6]C[4x3,6]2H[3]H3)(C[6a]C[6a]2)	C[4x3,6](C[6x3]C[3x3,6]2C[4x3,6]2C[5x3,6]C[6a])(C[3x3,6]C[5x3,6]C[6x3]H[3,3]HH)(C[4x3,6]C[3x3,6]C[6x3]H[3]2HH)(H[3]C[4x3,6])2(H)2	C[6a](C[6x3]C[3x3,6]2C[4x3,6]3C[5x3,6])(C[6a]C[6a]H)2	C[6x3](C[5x3,6]C[3x3,6]C[4x3,6]H[3,3]H[3]2HH)(C[3x3,6]C[4x3,6]C[5x3,6]H[3,3]HH)(C[4x3,6]C[3x3,6]C[4x3,6]H[3]2HH)2(C[4x3,6]C[3x3,6]C[5x3,6]H[3]2H)(C[3x3,6]C[4x3,6]2H[3]H3)(C[6a]C[6a]2){2|C<3>,2|H<1>}	C[4x3,6](C[6x3]C[3x3,6]2C[4x3,6]2C[5x3,6]C[6a])(C[3x3,6]C[5x3,6]C[6x3]H[3,3]HH)(C[4x3,6]C[3x3,6]C[6x3]H[3]2HH)(H[3]C[4x3,6])2(H)2{2|C<3>,3|H<2>,6|H<1>}	C[6a](C[6x3]C[3x3,6]2C[4x3,6]3C[5x3,6])(C[6a]C[6a]H)2{14|H<1>,1|C<3>,1|H<3>,5|H<2>}	112.8430	0.000	1	112.8430	0.000	1	112.8430	0.000	1	112.8430	0.000	1	112.7405	0.021	2	113.6843	36.312	10
238	238	643	0:SPD7_SP2_SPD7	C[6x3]	C[4x3,6]	C[6a]	8:6:7:7:6:7:3:	7:7:7:2:2:1:1:	7:3:3:	C[5x3,6]-8:C[3x3,6]-6:C[4x3,6]-7:C[4x3,6]-7:C[4x3,6]-6:C[3x3,6]-7:C[6a]-3:	C[6x3]-7:C[4x3,6]-7:C[3x3,6]-7:H[3]-2:H[3]-2:H-1:H-1:	C[6x3]-7:C[6a]-3:C[6a]-3:	C[6x3](C[5x3,6]C[3x3,6]C[4x3,6]H[3,3]H[3]2HH)(C[3x3,6]C[4x3,6]C[5x3,6]H[3,3]HH)(C[4x3,6]C[3x3,6]C[4x3,6]H[3]2HH)2(C[4x3,6]C[3x3,6]C[5x3,6]H[3]2H)(C[3x3,6]C[4x3,6]2H[3]H3)(C[6a]C[6a]2)	C[4x3,6](C[6x3]C[3x3,6]2C[4x3,6]2C[5x3,6]C[6a])(C[4x3,6]C[3x3,6]C[6x3]H[3]2HH)(C[3x3,6]C[4x3,6]C[6x3]H[3]H3)(H[3]C[4x3,6])2(H)2	C[6a](C[6x3]C[3x3,6]2C[4x3,6]3C[5x3,6])(C[6a]C[6a]H)2	C[6x3](C[5x3,6]C[3x3,6]C[4x3,6]H[3,3]H[3]2HH)(C[3x3,6]C[4x3,6]C[5x3,6]H[3,3]HH)(C[4x3,6]C[3x3,6]C[4x3,6]H[3]2HH)2(C[4x3,6]C[3x3,6]C[5x3,6]H[3]2H)(C[3x3,6]C[4x3,6]2H[3]H3)(C[6a]C[6a]2){2|C<3>,2|H<1>}	C[4x3,6](C[6x3]C[3x3,6]2C[4x3,6]2C[5x3,6]C[6a])(C[4x3,6]C[3x3,6]C[6x3]H[3]2HH)(C[3x3,6]C[4x3,6]C[6x3]H[3]H3)(H[3]C[4x3,6])2(H)2{1|H<3>,2|C<3>,2|H<2>,5|H<1>}	C[6a](C[6x3]C[3x3,6]2C[4x3,6]3C[5x3,6])(C[6a]C[6a]H)2{14|H<1>,1|C<3>,1|H<3>,5|H<2>}	112.6380	0.000	1	112.6380	0.000	1	112.6380	0.000	1	112.6380	0.000	1	112.7405	0.021	2	113.6843	36.312	10
238	238	762	0:SPD7_SP2_SPD7	C[6x3]	C[4x3,4,6]	C[6]	7:7:6:6:6:6:3:	7:7:6:3:2:2:1:	7:3:3:	C[4x3,4,6]-7:C[4x3,4,6]-7:C[3x3,4,6]-6:C[3x3,4,6]-6:C[3,3,4,4,6]-6:C[3,3,4,4,6]-6:C[6]-3:	C[6x3]-7:C[4x3,4,6]-7:C[3x3,4,6]-6:H[3,3]-3:H[3]-2:H[4]-2:H-1:	C[6x3]-7:C[6]-3:C[6]-3:	C[6x3](C[4x3,4,6]C[3x3,4,6]C[4x3,4,6]H[3,3]H[3]H[4]H)2(C[3x3,4,6]C[3,3,4,4,6]C[4x3,4,6]H[3,3]H[4]H)2(C[3,3,4,4,6]C[3,3,4,4,6]C[3x3,4,6]H[4]2H)2(C[6]C[6]2)	C[4x3,4,6](C[6x3]C[3,3,4,4,6]2C[3x3,4,6]2C[4x3,4,6]C[6])(C[4x3,4,6]C[3x3,4,6]C[6x3]H[3,3]H[3]H[4]H)(C[3x3,4,6]C[3,3,4,4,6]C[6x3]H[3,3]H[4]H)(H[3,3]C[3x3,4,6]H[3])(H[3]H[3,3])(H[4]H[4])(H)	C[6](C[6x3]C[3,3,4,4,6]2C[3x3,4,6]2C[4x3,4,6]2)(C[6]C[6]H)2	C[6x3](C[4x3,4,6]C[3x3,4,6]C[4x3,4,6]H[3,3]H[3]H[4]H)2(C[3x3,4,6]C[3,3,4,4,6]C[4x3,4,6]H[3,3]H[4]H)2(C[3,3,4,4,6]C[3,3,4,4,6]C[3x3,4,6]H[4]2H)2(C[6]C[6]2){2|C<3>,2|H<1>}	C[4x3,4,6](C[6x3]C[3,3,4,4,6]2C[3x3,4,6]2C[4x3,4,6]C[6])(C[4x3,4,6]C[3x3,4,6]C[6x3]H[3,3]H[3]H[4]H)(C[3x3,4,6]C[3,3,4,4,6]C[6x3]H[3,3]H[4]H)(H[3,3]C[3x3,4,6]H[3])(H[3]H[3,3])(H[4]H[4])(H){2|C<3>,3|H<1>,5|H<2>}	C[6](C[6x3]C[3,3,4,4,6]2C[3x3,4,6]2C[4x3,4,6]2)(C[6]C[6]H)2{10|H<2>,1|C<3>,2|C<4>,2|H<3>,6|H<1>}	108.3925	0.746	2	108.3925	0.557	2	108.3925	0.557	2	108.3925	0.557	2	108.3925	0.557	2	108.3925	0.557	2
238	238	778	0:SPD7_SPD5_SPD7	C[4x3,4,4]	C[3,3,3x4]	C[3x3]	7:8:7:7:5:4:3:	7:7:3:2:2:1:1:	7:8:3:2:1:	C[3,3,3x4]-7:C[5x3]-8:C[4x3]-7:C[4x3]-7:C[3x3]-5:C[3x4]-4:C[6a]-3:	C[4x3,4,4]-7:C[4x3]-7:H[3,4,4]-3:H[3]-2:H[4,4]-2:H-1:H-1:	C[4x3,4,4]-7:C[5x3]-8:H[3,3]-3:H[3]-2:H-1:	C[4x3,4,4](C[3,3,3x4]H[3,4,4]C[4x3]H[4,4]H[3]HH)(C[5x3]C[3x3]C[4x3]H[3,3]H[3]2HH)(C[4x3]C[3,3,3x4]C[4x3]H[3]2HH)(C[4x3]C[4x3]C[5x3]H[3]2HH)(C[3x3]C[5x3]H[3,3]H[3]H)(C[3x4]H[3,4,4]H[4,4]H)(C[6a]C[6a]2)	C[3,3,3x4](C[4x3,4,4]C[3x3]C[3x4]C[4x3]2C[5x3]C[6a])(C[4x3]C[4x3,4,4]C[4x3]H[3]2HH)(H[3,4,4]C[3x4]H[3])(H[3]H[3,4,4])(H[4,4]C[3x4])(H)2	C[3x3](C[4x3,4,4]C[3,3,3x4]C[3x4]C[4x3]2C[5x3]C[6a])(C[5x3]C[4x3,4,4]C[4x3]H[3,3]H[3]2HH)(H[3,3]C[5x3]H[3])(H[3]C[5x3])(H)	C[4x3,4,4](C[3,3,3x4]H[3,4,4]C[4x3]H[4,4]H[3]HH)(C[5x3]C[3x3]C[4x3]H[3,3]H[3]2HH)(C[4x3]C[3,3,3x4]C[4x3]H[3]2HH)(C[4x3]C[4x3]C[5x3]H[3]2HH)(C[3x3]C[5x3]H[3,3]H[3]H)(C[3x4]H[3,4,4]H[4,4]H)(C[6a]C[6a]2){2|C<3>,2|H<1>}	C[3,3,3x4](C[4x3,4,4]C[3x3]C[3x4]C[4x3]2C[5x3]C[6a])(C[4x3]C[4x3,4,4]C[4x3]H[3]2HH)(H[3,4,4]C[3x4]H[3])(H[3]H[3,4,4])(H[4,4]C[3x4])(H)2{1|H<3>,2|C<3>,2|H<2>,6|H<1>}	C[3x3](C[4x3,4,4]C[3,3,3x4]C[3x4]C[4x3]2C[5x3]C[6a])(C[5x3]C[4x3,4,4]C[4x3]H[3,3]H[3]2HH)(H[3,3]C[5x3]H[3])(H[3]C[5x3])(H){1|H<3>,2|C<3>,4|H<2>,7|H<1>}	111.5300	0.000	1	111.5300	0.000	1	111.5300	0.000	1	111.5300	0.000	1	111.5300	0.000	1	119.0307	361.210	3
238	238	778	0:SPD7_SPD5_SPD7	C[4x3,4,4]	C[4x3]	C[3x3]	7:8:7:7:5:4:3:	7:7:7:2:2:1:1:	7:8:3:2:1:	C[3,3,3x4]-7:C[5x3]-8:C[4x3]-7:C[4x3]-7:C[3x3]-5:C[3x4]-4:C[6a]-3:	C[4x3,4,4]-7:C[3,3,3x4]-7:C[4x3]-7:H[3]-2:H[3]-2:H-1:H-1:	C[4x3,4,4]-7:C[5x3]-8:H[3,3]-3:H[3]-2:H-1:	C[4x3,4,4](C[3,3,3x4]H[3,4,4]C[4x3]H[4,4]H[3]HH)(C[5x3]C[3x3]C[4x3]H[3,3]H[3]2HH)(C[4x3]C[3,3,3x4]C[4x3]H[3]2HH)(C[4x3]C[4x3]C[5x3]H[3]2HH)(C[3x3]C[5x3]H[3,3]H[3]H)(C[3x4]H[3,4,4]H[4,4]H)(C[6a]C[6a]2)	C[4x3](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]C[5x3]C[6a])(C[3,3,3x4]C[4x3,4,4]H[3,4,4]H[4,4]H[3]HH)(C[4x3]C[4x3,4,4]C[5x3]H[3]2HH)(H[3]C[4x3])2(H)2	C[3x3](C[4x3,4,4]C[3,3,3x4]C[3x4]C[4x3]2C[5x3]C[6a])(C[5x3]C[4x3,4,4]C[4x3]H[3,3]H[3]2HH)(H[3,3]C[5x3]H[3])(H[3]C[5x3])(H)	C[4x3,4,4](C[3,3,3x4]H[3,4,4]C[4x3]H[4,4]H[3]HH)(C[5x3]C[3x3]C[4x3]H[3,3]H[3]2HH)(C[4x3]C[3,3,3x4]C[4x3]H[3]2HH)(C[4x3]C[4x3]C[5x3]H[3]2HH)(C[3x3]C[5x3]H[3,3]H[3]H)(C[3x4]H[3,4,4]H[4,4]H)(C[6a]C[6a]2){2|C<3>,2|H<1>}	C[4x3](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]C[5x3]C[6a])(C[3,3,3x4]C[4x3,4,4]H[3,4,4]H[4,4]H[3]HH)(C[4x3]C[4x3,4,4]C[5x3]H[3]2HH)(H[3]C[4x3])2(H)2{1|H<3>,2|C<3>,2|H<2>,4|H<1>}	C[3x3](C[4x3,4,4]C[3,3,3x4]C[3x4]C[4x3]2C[5x3]C[6a])(C[5x3]C[4x3,4,4]C[4x3]H[3,3]H[3]2HH)(H[3,3]C[5x3]H[3])(H[3]C[5x3])(H){1|H<3>,2|C<3>,4|H<2>,7|H<1>}	140.6420	0.000	1	140.6420	0.000	1	140.6420	0.000	1	140.6420	0.000	1	122.7810	638.031	2	119.0307	361.210	3
238	238	778	0:SPD7_SPD5_SPD7	C[4x3,4,4]	C[4x3]	C[3x3]	7:8:7:7:5:4:3:	7:8:7:2:2:1:1:	7:8:3:2:1:	C[3,3,3x4]-7:C[5x3]-8:C[4x3]-7:C[4x3]-7:C[3x3]-5:C[3x4]-4:C[6a]-3:	C[4x3,4,4]-7:C[5x3]-8:C[4x3]-7:H[3]-2:H[3]-2:H-1:H-1:	C[4x3,4,4]-7:C[5x3]-8:H[3,3]-3:H[3]-2:H-1:	C[4x3,4,4](C[3,3,3x4]H[3,4,4]C[4x3]H[4,4]H[3]HH)(C[5x3]C[3x3]C[4x3]H[3,3]H[3]2HH)(C[4x3]C[3,3,3x4]C[4x3]H[3]2HH)(C[4x3]C[4x3]C[5x3]H[3]2HH)(C[3x3]C[5x3]H[3,3]H[3]H)(C[3x4]H[3,4,4]H[4,4]H)(C[6a]C[6a]2)	C[4x3](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]C[5x3]C[6a])(C[5x3]C[4x3,4,4]C[3x3]H[3,3]H[3]2HH)(C[4x3]C[3,3,3x4]C[4x3,4,4]H[3]2HH)(H[3]C[4x3])2(H)2	C[3x3](C[4x3,4,4]C[3,3,3x4]C[3x4]C[4x3]2C[5x3]C[6a])(C[5x3]C[4x3,4,4]C[4x3]H[3,3]H[3]2HH)(H[3,3]C[5x3]H[3])(H[3]C[5x3])(H)	C[4x3,4,4](C[3,3,3x4]H[3,4,4]C[4x3]H[4,4]H[3]HH)(C[5x3]C[3x3]C[4x3]H[3,3]H[3]2HH)(C[4x3]C[3,3,3x4]C[4x3]H[3]2HH)(C[4x3]C[4x3]C[5x3]H[3]2HH)(C[3x3]C[5x3]H[3,3]H[3]H)(C[3x4]H[3,4,4]H[4,4]H)(C[6a]C[6a]2){2|C<3>,2|H<1>}	C[4x3](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]C[5x3]C[6a])(C[5x3]C[4x3,4,4]C[3x3]H[3,3]H[3]2HH)(C[4x3]C[3,3,3x4]C[4x3,4,4]H[3]2HH)(H[3]C[4x3])2(H)2{1|H<3>,2|C<3>,2|H<2>,4|H<1>}	C[3x3](C[4x3,4,4]C[3,3,3x4]C[3x4]C[4x3]2C[5x3]C[6a])(C[5x3]C[4x3,4,4]C[4x3]H[3,3]H[3]2HH)(H[3,3]C[5x3]H[3])(H[3]C[5x3])(H){1|H<3>,2|C<3>,4|H<2>,7|H<1>}	104.9200	0.000	1	104.9200	0.000	1	104.9200	0.000	1	104.9200	0.000	1	122.7810	638.031	2	119.0307	361.210	3
238	238	794	0:SPD7_SPD5_SPD7	C[3x3,3x4]	C[4x3]	C[6x4]	6:7:7:5:6:6:3:	7:7:6:2:2:1:1:	7:3:2:2:1:	C[3,6x4]-6:C[4x3]-7:C[4x3]-7:C[6x4]-5:C[3x3]-6:C[3x3]-6:C[6a]-3:	C[3x3,3x4]-7:C[4x3]-7:C[3x3]-6:H[3]-2:H[3]-2:H-1:H-1:	C[3x3,3x4]-7:H[3,3x4]-3:H[3x4]-2:H[3x4]-2:H-1:	C[3x3,3x4](C[3,6x4]H[3,3x4]H[3x4]2H[3]H)(C[4x3]C[3x3]C[4x3]H[3]2HH)2(C[6x4]H[3,3x4]H[3x4]2H)(C[3x3]C[4x3]H[3]2HH)2(C[6a]C[6a]2)	C[4x3](C[3x3,3x4]C[3,6x4]C[3x3]2C[4x3]C[6x4]C[6a])(C[4x3]C[3x3,3x4]C[3x3]H[3]2HH)(C[3x3]C[3x3,3x4]H[3]2HH)(H[3]C[3x3])2(H)2	C[6x4](C[3x3,3x4]C[3,6x4]C[3x3]2C[4x3]2C[6a])(H[3,3x4]C[3,6x4]H[3])(H[3x4]C[3,6x4])2(H)	C[3x3,3x4](C[3,6x4]H[3,3x4]H[3x4]2H[3]H)(C[4x3]C[3x3]C[4x3]H[3]2HH)2(C[6x4]H[3,3x4]H[3x4]2H)(C[3x3]C[4x3]H[3]2HH)2(C[6a]C[6a]2){2|C<3>,2|H<1>}	C[4x3](C[3x3,3x4]C[3,6x4]C[3x3]2C[4x3]C[6x4]C[6a])(C[4x3]C[3x3,3x4]C[3x3]H[3]2HH)(C[3x3]C[3x3,3x4]H[3]2HH)(H[3]C[3x3])2(H)2{1|H<3>,2|C<3>,3|H<2>,4|H<1>}	C[6x4](C[3x3,3x4]C[3,6x4]C[3x3]2C[4x3]2C[6a])(H[3,3x4]C[3,6x4]H[3])(H[3x4]C[3,6x4])2(H){2|C<3>,4|H<2>,9|H<1>}	125.0240	15.812	2	125.0240	250.030	2	125.0240	250.030	2	125.0240	250.030	2	125.0240	250.030	2	125.0240	250.030	2
238	238	802	0:SPD7_SP-NON_SPD7	C[3,3,3x4]	C[4x3,4,4]	H[4,4]	7:7:3:2:2:1:1:	7:8:7:7:5:4:3:	7:4:	C[4x3,4,4]-7:C[4x3]-7:H[3,4,4]-3:H[3]-2:H[4,4]-2:H-1:H-1:	C[3,3,3x4]-7:C[5x3]-8:C[4x3]-7:C[4x3]-7:C[3x3]-5:C[3x4]-4:C[6a]-3:	C[3,3,3x4]-7:C[3x4]-4:	C[3,3,3x4](C[4x3,4,4]C[3x3]C[3x4]C[4x3]2C[5x3]C[6a])(C[4x3]C[4x3,4,4]C[4x3]H[3]2HH)(H[3,4,4]C[3x4]H[3])(H[3]H[3,4,4])(H[4,4]C[3x4])(H)2	C[4x3,4,4](C[3,3,3x4]H[3,4,4]C[4x3]H[4,4]H[3]HH)(C[5x3]C[3x3]C[4x3]H[3,3]H[3]2HH)(C[4x3]C[3,3,3x4]C[4x3]H[3]2HH)(C[4x3]C[4x3]C[5x3]H[3]2HH)(C[3x3]C[5x3]H[3,3]H[3]H)(C[3x4]H[3,4,4]H[4,4]H)(C[6a]C[6a]2)	H[4,4](C[3,3,3x4]C[4x3,4,4]H[3,4,4]C[4x3]H[3]HH)(C[3x4]C[4x3,4,4]H[3,4,4]H)	C[3,3,3x4](C[4x3,4,4]C[3x3]C[3x4]C[4x3]2C[5x3]C[6a])(C[4x3]C[4x3,4,4]C[4x3]H[3]2HH)(H[3,4,4]C[3x4]H[3])(H[3]H[3,4,4])(H[4,4]C[3x4])(H)2{1|H<3>,2|C<3>,2|H<2>,6|H<1>}	C[4x3,4,4](C[3,3,3x4]H[3,4,4]C[4x3]H[4,4]H[3]HH)(C[5x3]C[3x3]C[4x3]H[3,3]H[3]2HH)(C[4x3]C[3,3,3x4]C[4x3]H[3]2HH)(C[4x3]C[4x3]C[5x3]H[3]2HH)(C[3x3]C[5x3]H[3,3]H[3]H)(C[3x4]H[3,4,4]H[4,4]H)(C[6a]C[6a]2){2|C<3>,2|H<1>}	H[4,4](C[3,3,3x4]C[4x3,4,4]H[3,4,4]C[4x3]H[3]HH)(C[3x4]C[4x3,4,4]H[3,4,4]H)	108.3410	0.000	1	108.3410	0.000	1	108.3410	0.000	1	108.3410	0.000	1	108.3410	0.000	1	107.5321	1277.152	7
238	238	802	0:SPD7_SP-NON_SPD7	C[3,3,3x4]	C[4x3]	H[4,4]	7:7:3:2:2:1:1:	7:7:7:2:2:1:1:	7:4:	C[4x3,4,4]-7:C[4x3]-7:H[3,4,4]-3:H[3]-2:H[4,4]-2:H-1:H-1:	C[4x3,4,4]-7:C[3,3,3x4]-7:C[4x3]-7:H[3]-2:H[3]-2:H-1:H-1:	C[3,3,3x4]-7:C[3x4]-4:	C[3,3,3x4](C[4x3,4,4]C[3x3]C[3x4]C[4x3]2C[5x3]C[6a])(C[4x3]C[4x3,4,4]C[4x3]H[3]2HH)(H[3,4,4]C[3x4]H[3])(H[3]H[3,4,4])(H[4,4]C[3x4])(H)2	C[4x3](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]C[5x3]C[6a])(C[3,3,3x4]C[4x3,4,4]H[3,4,4]H[4,4]H[3]HH)(C[4x3]C[4x3,4,4]C[5x3]H[3]2HH)(H[3]C[4x3])2(H)2	H[4,4](C[3,3,3x4]C[4x3,4,4]H[3,4,4]C[4x3]H[3]HH)(C[3x4]C[4x3,4,4]H[3,4,4]H)	C[3,3,3x4](C[4x3,4,4]C[3x3]C[3x4]C[4x3]2C[5x3]C[6a])(C[4x3]C[4x3,4,4]C[4x3]H[3]2HH)(H[3,4,4]C[3x4]H[3])(H[3]H[3,4,4])(H[4,4]C[3x4])(H)2{1|H<3>,2|C<3>,2|H<2>,6|H<1>}	C[4x3](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]C[5x3]C[6a])(C[3,3,3x4]C[4x3,4,4]H[3,4,4]H[4,4]H[3]HH)(C[4x3]C[4x3,4,4]C[5x3]H[3]2HH)(H[3]C[4x3])2(H)2{1|H<3>,2|C<3>,2|H<2>,4|H<1>}	H[4,4](C[3,3,3x4]C[4x3,4,4]H[3,4,4]C[4x3]H[3]HH)(C[3x4]C[4x3,4,4]H[3,4,4]H)	141.6410	0.000	1	141.6410	0.000	1	141.6410	0.000	1	141.6410	0.000	1	141.6410	0.000	1	107.5321	1277.152	7
238	238	802	0:SPD7_SP-NON_SPD7	C[4x3,4,6]	C[4x3,4,6]	H[4]	7:7:6:3:2:2:1:	7:7:6:3:2:2:1:	7:2:	C[6x3]-7:C[4x3,4,6]-7:C[3x3,4,6]-6:H[3,3]-3:H[3]-2:H[4]-2:H-1:	C[6x3]-7:C[4x3,4,6]-7:C[3x3,4,6]-6:H[3,3]-3:H[3]-2:H[4]-2:H-1:	C[4x3,4,6]-7:H[4]-2:	C[4x3,4,6](C[6x3]C[3,3,4,4,6]2C[3x3,4,6]2C[4x3,4,6]C[6])(C[4x3,4,6]C[3x3,4,6]C[6x3]H[3,3]H[3]H[4]H)(C[3x3,4,6]C[3,3,4,4,6]C[6x3]H[3,3]H[4]H)(H[3,3]C[3x3,4,6]H[3])(H[3]H[3,3])(H[4]H[4])(H)	C[4x3,4,6](C[6x3]C[3,3,4,4,6]2C[3x3,4,6]2C[4x3,4,6]C[6])(C[4x3,4,6]C[3x3,4,6]C[6x3]H[3,3]H[3]H[4]H)(C[3x3,4,6]C[3,3,4,4,6]C[6x3]H[3,3]H[4]H)(H[3,3]C[3x3,4,6]H[3])(H[3]H[3,3])(H[4]H[4])(H)	H[4](C[4x3,4,6]C[3x3,4,6]C[4x3,4,6]C[6x3]H[3,3]H[3]H)(H[4]C[4x3,4,6])	C[4x3,4,6](C[6x3]C[3,3,4,4,6]2C[3x3,4,6]2C[4x3,4,6]C[6])(C[4x3,4,6]C[3x3,4,6]C[6x3]H[3,3]H[3]H[4]H)(C[3x3,4,6]C[3,3,4,4,6]C[6x3]H[3,3]H[4]H)(H[3,3]C[3x3,4,6]H[3])(H[3]H[3,3])(H[4]H[4])(H){2|C<3>,3|H<1>,5|H<2>}	C[4x3,4,6](C[6x3]C[3,3,4,4,6]2C[3x3,4,6]2C[4x3,4,6]C[6])(C[4x3,4,6]C[3x3,4,6]C[6x3]H[3,3]H[3]H[4]H)(C[3x3,4,6]C[3,3,4,4,6]C[6x3]H[3,3]H[4]H)(H[3,3]C[3x3,4,6]H[3])(H[3]H[3,3])(H[4]H[4])(H){2|C<3>,3|H<1>,5|H<2>}	H[4](C[4x3,4,6]C[3x3,4,6]C[4x3,4,6]C[6x3]H[3,3]H[3]H)(H[4]C[4x3,4,6])	63.0464	3.259	2	63.0464	10.619	2	63.0464	10.619	2	63.0464	10.619	2	63.0464	10.619	2	107.5321	1277.152	7
238	238	802	0:SPD7_SP-NON_SPD7	C[4x3,4,6]	C[5x3,6]	H[4]	7:6:7:2:2:2:1:	7:7:7:2:2:2:1:	7:2:	N[6x3]-7:C[3,3,4,6]-6:C[5x3,6]-7:H[3]-2:H[3]-2:H[4]-2:H-1:	N[6x3]-7:C[4x3,4,6]-7:C[3x3,6]-7:H[3]-2:H[3]-2:H[3]-2:H-1:	C[4x3,4,6]-7:H[4]-2:	C[4x3,4,6](N[6x3]C[3,3,4,6]C[3x3,6]C[4x3,6]2C[5x3,6]Ru)(C[3,3,4,6]C[4x3,6]N[6x3]H[4]HH)(C[5x3,6]C[3x3,6]N[6x3]H[3]3H)(H[3]C[5x3,6])2(H[4]H[4])(H)	C[5x3,6](N[6x3]C[3,3,4,6]C[4x3,4,6]C[3x3,6]C[4x3,6]2Ru)(C[4x3,4,6]C[3,3,4,6]N[6x3]H[3]2H[4]H)(C[3x3,6]C[4x3,6]N[6x3]H[3]H3)(H[3]C[4x3,4,6])2(H[3]C[3x3,6])(H)	H[4](C[4x3,4,6]C[3,3,4,6]C[5x3,6]N[6x3]H[3]2H)(H[4]C[3,3,4,6])	C[4x3,4,6](N[6x3]C[3,3,4,6]C[3x3,6]C[4x3,6]2C[5x3,6]Ru)(C[3,3,4,6]C[4x3,6]N[6x3]H[4]HH)(C[5x3,6]C[3x3,6]N[6x3]H[3]3H)(H[3]C[5x3,6])2(H[4]H[4])(H){2|H<2>,7|H<1>}	C[5x3,6](N[6x3]C[3,3,4,6]C[4x3,4,6]C[3x3,6]C[4x3,6]2Ru)(C[4x3,4,6]C[3,3,4,6]N[6x3]H[3]2H[4]H)(C[3x3,6]C[4x3,6]N[6x3]H[3]H3)(H[3]C[4x3,4,6])2(H[3]C[3x3,6])(H){3|H<2>,6|H<1>}	H[4](C[4x3,4,6]C[3,3,4,6]C[5x3,6]N[6x3]H[3]2H)(H[4]C[3,3,4,6])	157.7610	0.000	1	157.7610	0.000	1	157.7610	0.000	1	157.7610	0.000	1	157.7610	0.000	1	107.5321	1277.152	7
238	238	802	0:SPD7_SP-NON_SPD7	C[4x3,4,6]	C[6x3]	H[4]	7:7:6:3:2:2:1:	7:7:6:6:6:6:3:	7:2:	C[6x3]-7:C[4x3,4,6]-7:C[3x3,4,6]-6:H[3,3]-3:H[3]-2:H[4]-2:H-1:	C[4x3,4,6]-7:C[4x3,4,6]-7:C[3x3,4,6]-6:C[3x3,4,6]-6:C[3,3,4,4,6]-6:C[3,3,4,4,6]-6:C[6]-3:	C[4x3,4,6]-7:H[4]-2:	C[4x3,4,6](C[6x3]C[3,3,4,4,6]2C[3x3,4,6]2C[4x3,4,6]C[6])(C[4x3,4,6]C[3x3,4,6]C[6x3]H[3,3]H[3]H[4]H)(C[3x3,4,6]C[3,3,4,4,6]C[6x3]H[3,3]H[4]H)(H[3,3]C[3x3,4,6]H[3])(H[3]H[3,3])(H[4]H[4])(H)	C[6x3](C[4x3,4,6]C[3x3,4,6]C[4x3,4,6]H[3,3]H[3]H[4]H)2(C[3x3,4,6]C[3,3,4,4,6]C[4x3,4,6]H[3,3]H[4]H)2(C[3,3,4,4,6]C[3,3,4,4,6]C[3x3,4,6]H[4]2H)2(C[6]C[6]2)	H[4](C[4x3,4,6]C[3x3,4,6]C[4x3,4,6]C[6x3]H[3,3]H[3]H)(H[4]C[4x3,4,6])	C[4x3,4,6](C[6x3]C[3,3,4,4,6]2C[3x3,4,6]2C[4x3,4,6]C[6])(C[4x3,4,6]C[3x3,4,6]C[6x3]H[3,3]H[3]H[4]H)(C[3x3,4,6]C[3,3,4,4,6]C[6x3]H[3,3]H[4]H)(H[3,3]C[3x3,4,6]H[3])(H[3]H[3,3])(H[4]H[4])(H){2|C<3>,3|H<1>,5|H<2>}	C[6x3](C[4x3,4,6]C[3x3,4,6]C[4x3,4,6]H[3,3]H[3]H[4]H)2(C[3x3,4,6]C[3,3,4,4,6]C[4x3,4,6]H[3,3]H[4]H)2(C[3,3,4,4,6]C[3,3,4,4,6]C[3x3,4,6]H[4]2H)2(C[6]C[6]2){2|C<3>,2|H<1>}	H[4](C[4x3,4,6]C[3x3,4,6]C[4x3,4,6]C[6x3]H[3,3]H[3]H)(H[4]C[4x3,4,6])	109.4445	0.019	2	109.4445	0.000	2	109.4445	0.000	2	109.4445	0.000	2	109.4445	0.000	2	107.5321	1277.152	7
238	238	893	0:SPD7_SP3_SPD7	C[4x3]	C[4x3]	O	7:2:2:2:2:2:1:	7:2:2:2:2:2:1:	7:1:	C[4x3]-7:H[3]-2:H[3]-2:H[3]-2:H[3]-2:O-2:H-1:	C[4x3]-7:H[3]-2:H[3]-2:H[3]-2:H[3]-2:O-2:H-1:	C[4x3]-7:H-1:	C[4x3](C[4x3]H[3]4HO)(H[3]C[4x3])4(OH)(H)	C[4x3](C[4x3]H[3]4HO)(H[3]C[4x3])4(OH)(H)	O(C[4x3]C[4x3]H[3]4H)(H)	C[4x3](C[4x3]H[3]4HO)(H[3]C[4x3])4(OH)(H)	C[4x3](C[4x3]H[3]4HO)(H[3]C[4x3])4(OH)(H)	O(C[4x3]C[4x3]H[3]4H)(H)	137.6960	0.000	1	137.6960	0.000	1	137.6960	0.000	1	137.6960	0.000	1	137.6960	0.000	1	137.6960	0.000	1
238	238	951	0:SPD7_SP-NON_SPD7	C[3,3,3x4]	C[4x3,4,4]	H	7:7:3:2:2:1:1:	7:8:7:7:5:4:3:	7:	C[4x3,4,4]-7:C[4x3]-7:H[3,4,4]-3:H[3]-2:H[4,4]-2:H-1:H-1:	C[3,3,3x4]-7:C[5x3]-8:C[4x3]-7:C[4x3]-7:C[3x3]-5:C[3x4]-4:C[6a]-3:	C[3,3,3x4]-7:	C[3,3,3x4](C[4x3,4,4]C[3x3]C[3x4]C[4x3]2C[5x3]C[6a])(C[4x3]C[4x3,4,4]C[4x3]H[3]2HH)(H[3,4,4]C[3x4]H[3])(H[3]H[3,4,4])(H[4,4]C[3x4])(H)2	C[4x3,4,4](C[3,3,3x4]H[3,4,4]C[4x3]H[4,4]H[3]HH)(C[5x3]C[3x3]C[4x3]H[3,3]H[3]2HH)(C[4x3]C[3,3,3x4]C[4x3]H[3]2HH)(C[4x3]C[4x3]C[5x3]H[3]2HH)(C[3x3]C[5x3]H[3,3]H[3]H)(C[3x4]H[3,4,4]H[4,4]H)(C[6a]C[6a]2)	H(C[3,3,3x4]C[4x3,4,4]H[3,4,4]C[4x3]H[4,4]H[3]H)	C[3,3,3x4](C[4x3,4,4]C[3x3]C[3x4]C[4x3]2C[5x3]C[6a])(C[4x3]C[4x3,4,4]C[4x3]H[3]2HH)(H[3,4,4]C[3x4]H[3])(H[3]H[3,4,4])(H[4,4]C[3x4])(H)2{1|H<3>,2|C<3>,2|H<2>,6|H<1>}	C[4x3,4,4](C[3,3,3x4]H[3,4,4]C[4x3]H[4,4]H[3]HH)(C[5x3]C[3x3]C[4x3]H[3,3]H[3]2HH)(C[4x3]C[3,3,3x4]C[4x3]H[3]2HH)(C[4x3]C[4x3]C[5x3]H[3]2HH)(C[3x3]C[5x3]H[3,3]H[3]H)(C[3x4]H[3,4,4]H[4,4]H)(C[6a]C[6a]2){2|C<3>,2|H<1>}	H(C[3,3,3x4]C[4x3,4,4]H[3,4,4]C[4x3]H[4,4]H[3]H)	109.4900	0.014	2	109.4900	0.000	2	109.4900	0.000	2	109.4900	0.000	2	109.4900	0.000	2	107.1182	836.414	69
238	238	951	0:SPD7_SP-NON_SPD7	C[3,3,3x4]	C[4x3]	H	7:7:3:2:2:1:1:	7:7:7:2:2:1:1:	7:	C[4x3,4,4]-7:C[4x3]-7:H[3,4,4]-3:H[3]-2:H[4,4]-2:H-1:H-1:	C[4x3,4,4]-7:C[3,3,3x4]-7:C[4x3]-7:H[3]-2:H[3]-2:H-1:H-1:	C[3,3,3x4]-7:	C[3,3,3x4](C[4x3,4,4]C[3x3]C[3x4]C[4x3]2C[5x3]C[6a])(C[4x3]C[4x3,4,4]C[4x3]H[3]2HH)(H[3,4,4]C[3x4]H[3])(H[3]H[3,4,4])(H[4,4]C[3x4])(H)2	C[4x3](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]C[5x3]C[6a])(C[3,3,3x4]C[4x3,4,4]H[3,4,4]H[4,4]H[3]HH)(C[4x3]C[4x3,4,4]C[5x3]H[3]2HH)(H[3]C[4x3])2(H)2	H(C[3,3,3x4]C[4x3,4,4]H[3,4,4]C[4x3]H[4,4]H[3]H)	C[3,3,3x4](C[4x3,4,4]C[3x3]C[3x4]C[4x3]2C[5x3]C[6a])(C[4x3]C[4x3,4,4]C[4x3]H[3]2HH)(H[3,4,4]C[3x4]H[3])(H[3]H[3,4,4])(H[4,4]C[3x4])(H)2{1|H<3>,2|C<3>,2|H<2>,6|H<1>}	C[4x3](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]C[5x3]C[6a])(C[3,3,3x4]C[4x3,4,4]H[3,4,4]H[4,4]H[3]HH)(C[4x3]C[4x3,4,4]C[5x3]H[3]2HH)(H[3]C[4x3])2(H)2{1|H<3>,2|C<3>,2|H<2>,4|H<1>}	H(C[3,3,3x4]C[4x3,4,4]H[3,4,4]C[4x3]H[4,4]H[3]H)	109.8825	69.270	2	109.8825	4798.375	2	109.8825	4798.375	2	109.8825	4798.375	2	109.8825	4798.375	2	107.1182	836.414	69
238	238	951	0:SPD7_SP-NON_SPD7	C[3x3,6]	C[4x3,6]	H	7:7:6:2:1:1:1:	7:7:7:2:2:1:1:	7:	C[6x3]-7:C[4x3,6]-7:C[4x3,6]-6:H[3]-2:H-1:H-1:H-1:	C[6x3]-7:C[4x3,6]-7:C[3x3,6]-7:H[3]-2:H[3]-2:H-1:H-1:	C[3x3,6]-7:	C[3x3,6](C[6x3]C[3x3,6]C[4x3,6]3C[5x3,6]C[6a])(C[4x3,6]C[4x3,6]C[6x3]H[3]2HH)(C[4x3,6]C[5x3,6]C[6x3]H[3]2H)(H[3]C[4x3,6])(H)3	C[4x3,6](C[6x3]C[3x3,6]2C[4x3,6]2C[5x3,6]C[6a])(C[4x3,6]C[3x3,6]C[6x3]H[3]2HH)(C[3x3,6]C[4x3,6]C[6x3]H[3]H3)(H[3]C[4x3,6])2(H)2	H(C[3x3,6]C[4x3,6]2C[6x3]H[3]HH)	C[3x3,6](C[6x3]C[3x3,6]C[4x3,6]3C[5x3,6]C[6a])(C[4x3,6]C[4x3,6]C[6x3]H[3]2HH)(C[4x3,6]C[5x3,6]C[6x3]H[3]2H)(H[3]C[4x3,6])(H)3{1|H<2>,1|H<3>,2|C<3>,6|H<1>}	C[4x3,6](C[6x3]C[3x3,6]2C[4x3,6]2C[5x3,6]C[6a])(C[4x3,6]C[3x3,6]C[6x3]H[3]2HH)(C[3x3,6]C[4x3,6]C[6x3]H[3]H3)(H[3]C[4x3,6])2(H)2{1|H<3>,2|C<3>,2|H<2>,5|H<1>}	H(C[3x3,6]C[4x3,6]2C[6x3]H[3]HH)	107.3431	45.031	3	107.3431	2027.747	3	107.3431	2027.747	3	107.3431	2027.747	3	106.8462	1653.973	6	107.1182	836.414	69
238	238	951	0:SPD7_SP-NON_SPD7	C[3x3,6]	C[4x3,6]	H	7:7:7:2:1:1:1:	7:7:7:2:2:1:1:	7:	N[6x3]-7:C[5x3,6]-7:C[4x3,6]-7:H[3]-2:H-1:H-1:H-1:	N[6x3]-7:C[4x3,6]-7:C[3x3,6]-7:H[3]-2:H[3]-2:H-1:H-1:	C[3x3,6]-7:	C[3x3,6](N[6x3]C[3,3,4,6]C[4x3,4,6]C[4x3,6]2C[5x3,6]Ru)(C[5x3,6]C[4x3,4,6]N[6x3]H[3]3H)(C[4x3,6]C[4x3,6]N[6x3]H[3]2HH)(H[3]C[5x3,6])(H)3	C[4x3,6](N[6x3]C[3,3,4,6]C[4x3,4,6]C[3x3,6]C[4x3,6]C[5x3,6]Ru)(C[4x3,6]C[3,3,4,6]N[6x3]H[3]2HH)(C[3x3,6]C[5x3,6]N[6x3]H[3]H3)(H[3]C[4x3,6])2(H)2	H(C[3x3,6]C[4x3,6]C[5x3,6]N[6x3]H[3]HH)	C[3x3,6](N[6x3]C[3,3,4,6]C[4x3,4,6]C[4x3,6]2C[5x3,6]Ru)(C[5x3,6]C[4x3,4,6]N[6x3]H[3]3H)(C[4x3,6]C[4x3,6]N[6x3]H[3]2HH)(H[3]C[5x3,6])(H)3{2|H<2>,5|H<1>}	C[4x3,6](N[6x3]C[3,3,4,6]C[4x3,4,6]C[3x3,6]C[4x3,6]C[5x3,6]Ru)(C[4x3,6]C[3,3,4,6]N[6x3]H[3]2HH)(C[3x3,6]C[5x3,6]N[6x3]H[3]H3)(H[3]C[4x3,6])2(H)2{4|H<1>,4|H<2>}	H(C[3x3,6]C[4x3,6]C[5x3,6]N[6x3]H[3]HH)	106.3494	45.896	3	106.3494	2106.446	3	106.3494	2106.446	3	106.3494	2106.446	3	106.8462	1653.973	6	107.1182	836.414	69
238	238	951	0:SPD7_SP-NON_SPD7	C[3x3,6]	C[5x3,6]	H	7:7:7:2:1:1:1:	7:7:7:2:2:2:1:	7:	N[6x3]-7:C[5x3,6]-7:C[4x3,6]-7:H[3]-2:H-1:H-1:H-1:	N[6x3]-7:C[4x3,4,6]-7:C[3x3,6]-7:H[3]-2:H[3]-2:H[3]-2:H-1:	C[3x3,6]-7:	C[3x3,6](N[6x3]C[3,3,4,6]C[4x3,4,6]C[4x3,6]2C[5x3,6]Ru)(C[5x3,6]C[4x3,4,6]N[6x3]H[3]3H)(C[4x3,6]C[4x3,6]N[6x3]H[3]2HH)(H[3]C[5x3,6])(H)3	C[5x3,6](N[6x3]C[3,3,4,6]C[4x3,4,6]C[3x3,6]C[4x3,6]2Ru)(C[4x3,4,6]C[3,3,4,6]N[6x3]H[3]2H[4]H)(C[3x3,6]C[4x3,6]N[6x3]H[3]H3)(H[3]C[4x3,4,6])2(H[3]C[3x3,6])(H)	H(C[3x3,6]C[4x3,6]C[5x3,6]N[6x3]H[3]HH)	C[3x3,6](N[6x3]C[3,3,4,6]C[4x3,4,6]C[4x3,6]2C[5x3,6]Ru)(C[5x3,6]C[4x3,4,6]N[6x3]H[3]3H)(C[4x3,6]C[4x3,6]N[6x3]H[3]2HH)(H[3]C[5x3,6])(H)3{2|H<2>,5|H<1>}	C[5x3,6](N[6x3]C[3,3,4,6]C[4x3,4,6]C[3x3,6]C[4x3,6]2Ru)(C[4x3,4,6]C[3,3,4,6]N[6x3]H[3]2H[4]H)(C[3x3,6]C[4x3,6]N[6x3]H[3]H3)(H[3]C[4x3,4,6])2(H[3]C[3x3,6])(H){3|H<2>,6|H<1>}	H(C[3x3,6]C[4x3,6]C[5x3,6]N[6x3]H[3]HH)	105.3629	48.132	3	105.3629	2316.735	3	105.3629	2316.735	3	105.3629	2316.735	3	105.3629	2316.735	3	107.1182	836.414	69
238	238	951	0:SPD7_SP-NON_SPD7	C[3x3,6]	C[6x3]	H	7:7:6:2:1:1:1:	8:6:7:7:6:7:3:	7:	C[6x3]-7:C[4x3,6]-7:C[4x3,6]-6:H[3]-2:H-1:H-1:H-1:	C[5x3,6]-8:C[3x3,6]-6:C[4x3,6]-7:C[4x3,6]-7:C[4x3,6]-6:C[3x3,6]-7:C[6a]-3:	C[3x3,6]-7:	C[3x3,6](C[6x3]C[3x3,6]C[4x3,6]3C[5x3,6]C[6a])(C[4x3,6]C[4x3,6]C[6x3]H[3]2HH)(C[4x3,6]C[5x3,6]C[6x3]H[3]2H)(H[3]C[4x3,6])(H)3	C[6x3](C[5x3,6]C[3x3,6]C[4x3,6]H[3,3]H[3]2HH)(C[3x3,6]C[4x3,6]C[5x3,6]H[3,3]HH)(C[4x3,6]C[3x3,6]C[4x3,6]H[3]2HH)2(C[4x3,6]C[3x3,6]C[5x3,6]H[3]2H)(C[3x3,6]C[4x3,6]2H[3]H3)(C[6a]C[6a]2)	H(C[3x3,6]C[4x3,6]2C[6x3]H[3]HH)	C[3x3,6](C[6x3]C[3x3,6]C[4x3,6]3C[5x3,6]C[6a])(C[4x3,6]C[4x3,6]C[6x3]H[3]2HH)(C[4x3,6]C[5x3,6]C[6x3]H[3]2H)(H[3]C[4x3,6])(H)3{1|H<2>,1|H<3>,2|C<3>,6|H<1>}	C[6x3](C[5x3,6]C[3x3,6]C[4x3,6]H[3,3]H[3]2HH)(C[3x3,6]C[4x3,6]C[5x3,6]H[3,3]HH)(C[4x3,6]C[3x3,6]C[4x3,6]H[3]2HH)2(C[4x3,6]C[3x3,6]C[5x3,6]H[3]2H)(C[3x3,6]C[4x3,6]2H[3]H3)(C[6a]C[6a]2){2|C<3>,2|H<1>}	H(C[3x3,6]C[4x3,6]2C[6x3]H[3]HH)	110.4140	0.472	3	110.4140	0.223	3	110.4140	0.223	3	110.4140	0.223	3	110.4140	0.223	3	107.1182	836.414	69
238	238	951	0:SPD7_SP-NON_SPD7	C[3x3]	C[4x3]	H	7:7:3:2:2:1:1:	7:7:2:2:2:1:1:	7:	C[4x3]-7:C[4x3]-7:C[6a]-3:H[3]-2:H[3]-2:H-1:H-1:	C[3x3]-7:C[4x3]-7:H[3]-2:H[3]-2:H[3]-2:H-1:H-1:	C[3x3]-7:	C[3x3](C[4x3]C[4x3]H[3]3HH)2(C[6a]C[6a]2)(H[3]C[4x3])2(H)2	C[4x3](C[3x3]C[4x3]C[6a]H[3]2HH)(C[4x3]C[3x3]H[3]3HH)(H[3]C[3x3])(H[3]C[4x3])2(H)2	H(C[3x3]C[4x3]2C[6a]H[3]2H)	C[3x3](C[4x3]C[4x3]H[3]3HH)2(C[6a]C[6a]2)(H[3]C[4x3])2(H)2{1|H<1>,3|C<3>}	C[4x3](C[3x3]C[4x3]C[6a]H[3]2HH)(C[4x3]C[3x3]H[3]3HH)(H[3]C[3x3])(H[3]C[4x3])2(H)2{2|C<3>}	H(C[3x3]C[4x3]2C[6a]H[3]2H)	115.7340	14.114	4	115.7340	199.192	4	115.7340	199.192	4	115.7340	199.192	4	115.7340	199.192	4	107.1182	836.414	69
238	238	951	0:SPD7_SP-NON_SPD7	C[4x3,4,6]	C[4x3,4,6]	H	7:7:6:3:2:2:1:	7:7:6:3:2:2:1:	7:	C[6x3]-7:C[4x3,4,6]-7:C[3x3,4,6]-6:H[3,3]-3:H[3]-2:H[4]-2:H-1:	C[6x3]-7:C[4x3,4,6]-7:C[3x3,4,6]-6:H[3,3]-3:H[3]-2:H[4]-2:H-1:	C[4x3,4,6]-7:	C[4x3,4,6](C[6x3]C[3,3,4,4,6]2C[3x3,4,6]2C[4x3,4,6]C[6])(C[4x3,4,6]C[3x3,4,6]C[6x3]H[3,3]H[3]H[4]H)(C[3x3,4,6]C[3,3,4,4,6]C[6x3]H[3,3]H[4]H)(H[3,3]C[3x3,4,6]H[3])(H[3]H[3,3])(H[4]H[4])(H)	C[4x3,4,6](C[6x3]C[3,3,4,4,6]2C[3x3,4,6]2C[4x3,4,6]C[6])(C[4x3,4,6]C[3x3,4,6]C[6x3]H[3,3]H[3]H[4]H)(C[3x3,4,6]C[3,3,4,4,6]C[6x3]H[3,3]H[4]H)(H[3,3]C[3x3,4,6]H[3])(H[3]H[3,3])(H[4]H[4])(H)	H(C[4x3,4,6]C[3x3,4,6]C[4x3,4,6]C[6x3]H[3,3]H[3]H[4])	C[4x3,4,6](C[6x3]C[3,3,4,4,6]2C[3x3,4,6]2C[4x3,4,6]C[6])(C[4x3,4,6]C[3x3,4,6]C[6x3]H[3,3]H[3]H[4]H)(C[3x3,4,6]C[3,3,4,4,6]C[6x3]H[3,3]H[4]H)(H[3,3]C[3x3,4,6]H[3])(H[3]H[3,3])(H[4]H[4])(H){2|C<3>,3|H<1>,5|H<2>}	C[4x3,4,6](C[6x3]C[3,3,4,4,6]2C[3x3,4,6]2C[4x3,4,6]C[6])(C[4x3,4,6]C[3x3,4,6]C[6x3]H[3,3]H[3]H[4]H)(C[3x3,4,6]C[3,3,4,4,6]C[6x3]H[3,3]H[4]H)(H[3,3]C[3x3,4,6]H[3])(H[3]H[3,3])(H[4]H[4])(H){2|C<3>,3|H<1>,5|H<2>}	H(C[4x3,4,6]C[3x3,4,6]C[4x3,4,6]C[6x3]H[3,3]H[3]H[4])	90.7926	2.880	2	90.7926	8.295	2	90.7926	8.295	2	90.7926	8.295	2	90.7926	8.295	2	107.1182	836.414	69
238	238	951	0:SPD7_SP-NON_SPD7	C[4x3,4,6]	C[5x3,6]	H	7:6:7:2:2:2:1:	7:7:7:2:2:2:1:	7:	N[6x3]-7:C[3,3,4,6]-6:C[5x3,6]-7:H[3]-2:H[3]-2:H[4]-2:H-1:	N[6x3]-7:C[4x3,4,6]-7:C[3x3,6]-7:H[3]-2:H[3]-2:H[3]-2:H-1:	C[4x3,4,6]-7:	C[4x3,4,6](N[6x3]C[3,3,4,6]C[3x3,6]C[4x3,6]2C[5x3,6]Ru)(C[3,3,4,6]C[4x3,6]N[6x3]H[4]HH)(C[5x3,6]C[3x3,6]N[6x3]H[3]3H)(H[3]C[5x3,6])2(H[4]H[4])(H)	C[5x3,6](N[6x3]C[3,3,4,6]C[4x3,4,6]C[3x3,6]C[4x3,6]2Ru)(C[4x3,4,6]C[3,3,4,6]N[6x3]H[3]2H[4]H)(C[3x3,6]C[4x3,6]N[6x3]H[3]H3)(H[3]C[4x3,4,6])2(H[3]C[3x3,6])(H)	H(C[4x3,4,6]C[3,3,4,6]C[5x3,6]N[6x3]H[3]2H[4])	C[4x3,4,6](N[6x3]C[3,3,4,6]C[3x3,6]C[4x3,6]2C[5x3,6]Ru)(C[3,3,4,6]C[4x3,6]N[6x3]H[4]HH)(C[5x3,6]C[3x3,6]N[6x3]H[3]3H)(H[3]C[5x3,6])2(H[4]H[4])(H){2|H<2>,7|H<1>}	C[5x3,6](N[6x3]C[3,3,4,6]C[4x3,4,6]C[3x3,6]C[4x3,6]2Ru)(C[4x3,4,6]C[3,3,4,6]N[6x3]H[3]2H[4]H)(C[3x3,6]C[4x3,6]N[6x3]H[3]H3)(H[3]C[4x3,4,6])2(H[3]C[3x3,6])(H){3|H<2>,6|H<1>}	H(C[4x3,4,6]C[3,3,4,6]C[5x3,6]N[6x3]H[3]2H[4])	92.5545	0.000	1	92.5545	0.000	1	92.5545	0.000	1	92.5545	0.000	1	92.5545	0.000	1	107.1182	836.414	69
238	238	951	0:SPD7_SP-NON_SPD7	C[4x3,4,6]	C[6x3]	H	7:7:6:3:2:2:1:	7:7:6:6:6:6:3:	7:	C[6x3]-7:C[4x3,4,6]-7:C[3x3,4,6]-6:H[3,3]-3:H[3]-2:H[4]-2:H-1:	C[4x3,4,6]-7:C[4x3,4,6]-7:C[3x3,4,6]-6:C[3x3,4,6]-6:C[3,3,4,4,6]-6:C[3,3,4,4,6]-6:C[6]-3:	C[4x3,4,6]-7:	C[4x3,4,6](C[6x3]C[3,3,4,4,6]2C[3x3,4,6]2C[4x3,4,6]C[6])(C[4x3,4,6]C[3x3,4,6]C[6x3]H[3,3]H[3]H[4]H)(C[3x3,4,6]C[3,3,4,4,6]C[6x3]H[3,3]H[4]H)(H[3,3]C[3x3,4,6]H[3])(H[3]H[3,3])(H[4]H[4])(H)	C[6x3](C[4x3,4,6]C[3x3,4,6]C[4x3,4,6]H[3,3]H[3]H[4]H)2(C[3x3,4,6]C[3,3,4,4,6]C[4x3,4,6]H[3,3]H[4]H)2(C[3,3,4,4,6]C[3,3,4,4,6]C[3x3,4,6]H[4]2H)2(C[6]C[6]2)	H(C[4x3,4,6]C[3x3,4,6]C[4x3,4,6]C[6x3]H[3,3]H[3]H[4])	C[4x3,4,6](C[6x3]C[3,3,4,4,6]2C[3x3,4,6]2C[4x3,4,6]C[6])(C[4x3,4,6]C[3x3,4,6]C[6x3]H[3,3]H[3]H[4]H)(C[3x3,4,6]C[3,3,4,4,6]C[6x3]H[3,3]H[4]H)(H[3,3]C[3x3,4,6]H[3])(H[3]H[3,3])(H[4]H[4])(H){2|C<3>,3|H<1>,5|H<2>}	C[6x3](C[4x3,4,6]C[3x3,4,6]C[4x3,4,6]H[3,3]H[3]H[4]H)2(C[3x3,4,6]C[3,3,4,4,6]C[4x3,4,6]H[3,3]H[4]H)2(C[3,3,4,4,6]C[3,3,4,4,6]C[3x3,4,6]H[4]2H)2(C[6]C[6]2){2|C<3>,2|H<1>}	H(C[4x3,4,6]C[3x3,4,6]C[4x3,4,6]C[6x3]H[3,3]H[3]H[4])	109.4690	0.006	2	109.4690	0.000	2	109.4690	0.000	2	109.4690	0.000	2	109.4690	0.000	2	107.1182	836.414	69
238	238	951	0:SPD7_SP-NON_SPD7	C[4x3,6]	C[3x3,6]	H	7:7:7:2:2:1:1:	7:7:6:2:1:1:1:	7:	C[6x3]-7:C[4x3,6]-7:C[3x3,6]-7:H[3]-2:H[3]-2:H-1:H-1:	C[6x3]-7:C[4x3,6]-7:C[4x3,6]-6:H[3]-2:H-1:H-1:H-1:	C[4x3,6]-7:	C[4x3,6](C[6x3]C[3x3,6]2C[4x3,6]2C[5x3,6]C[6a])(C[4x3,6]C[3x3,6]C[6x3]H[3]2HH)(C[3x3,6]C[4x3,6]C[6x3]H[3]H3)(H[3]C[4x3,6])2(H)2	C[3x3,6](C[6x3]C[3x3,6]C[4x3,6]3C[5x3,6]C[6a])(C[4x3,6]C[4x3,6]C[6x3]H[3]2HH)(C[4x3,6]C[5x3,6]C[6x3]H[3]2H)(H[3]C[4x3,6])(H)3	H(C[4x3,6]C[3x3,6]C[4x3,6]C[6x3]H[3]2H)	C[4x3,6](C[6x3]C[3x3,6]2C[4x3,6]2C[5x3,6]C[6a])(C[4x3,6]C[3x3,6]C[6x3]H[3]2HH)(C[3x3,6]C[4x3,6]C[6x3]H[3]H3)(H[3]C[4x3,6])2(H)2{1|H<3>,2|C<3>,2|H<2>,5|H<1>}	C[3x3,6](C[6x3]C[3x3,6]C[4x3,6]3C[5x3,6]C[6a])(C[4x3,6]C[4x3,6]C[6x3]H[3]2HH)(C[4x3,6]C[5x3,6]C[6x3]H[3]2H)(H[3]C[4x3,6])(H)3{1|H<2>,1|H<3>,2|C<3>,6|H<1>}	H(C[4x3,6]C[3x3,6]C[4x3,6]C[6x3]H[3]2H)	74.9334	21.920	2	74.9334	480.475	2	74.9334	480.475	2	74.9334	480.475	2	74.5941	281.394	4	107.1182	836.414	69
238	238	951	0:SPD7_SP-NON_SPD7	C[4x3,6]	C[3x3,6]	H	7:7:7:2:2:1:1:	7:7:7:2:1:1:1:	7:	N[6x3]-7:C[4x3,6]-7:C[3x3,6]-7:H[3]-2:H[3]-2:H-1:H-1:	N[6x3]-7:C[5x3,6]-7:C[4x3,6]-7:H[3]-2:H-1:H-1:H-1:	C[4x3,6]-7:	C[4x3,6](N[6x3]C[3,3,4,6]C[4x3,4,6]C[3x3,6]C[4x3,6]C[5x3,6]Ru)(C[4x3,6]C[3,3,4,6]N[6x3]H[3]2HH)(C[3x3,6]C[5x3,6]N[6x3]H[3]H3)(H[3]C[4x3,6])2(H)2	C[3x3,6](N[6x3]C[3,3,4,6]C[4x3,4,6]C[4x3,6]2C[5x3,6]Ru)(C[5x3,6]C[4x3,4,6]N[6x3]H[3]3H)(C[4x3,6]C[4x3,6]N[6x3]H[3]2HH)(H[3]C[5x3,6])(H)3	H(C[4x3,6]C[3x3,6]C[4x3,6]N[6x3]H[3]2H)	C[4x3,6](N[6x3]C[3,3,4,6]C[4x3,4,6]C[3x3,6]C[4x3,6]C[5x3,6]Ru)(C[4x3,6]C[3,3,4,6]N[6x3]H[3]2HH)(C[3x3,6]C[5x3,6]N[6x3]H[3]H3)(H[3]C[4x3,6])2(H)2{4|H<1>,4|H<2>}	C[3x3,6](N[6x3]C[3,3,4,6]C[4x3,4,6]C[4x3,6]2C[5x3,6]Ru)(C[5x3,6]C[4x3,4,6]N[6x3]H[3]3H)(C[4x3,6]C[4x3,6]N[6x3]H[3]2HH)(H[3]C[5x3,6])(H)3{2|H<2>,5|H<1>}	H(C[4x3,6]C[3x3,6]C[4x3,6]N[6x3]H[3]2H)	74.2549	19.059	2	74.2549	363.246	2	74.2549	363.246	2	74.2549	363.246	2	74.5941	281.394	4	107.1182	836.414	69
238	238	951	0:SPD7_SP-NON_SPD7	C[4x3,6]	C[4x3,6]	H	7:6:7:2:2:1:1:	7:7:7:2:2:1:1:	7:	C[6x3]-7:C[3x3,6]-6:C[4x3,6]-7:H[3]-2:H[3]-2:H-1:H-1:	C[6x3]-7:C[4x3,6]-7:C[3x3,6]-7:H[3]-2:H[3]-2:H-1:H-1:	C[4x3,6]-7:	C[4x3,6](C[6x3]C[3x3,6]2C[4x3,6]2C[5x3,6]C[6a])(C[3x3,6]C[5x3,6]C[6x3]H[3,3]HH)(C[4x3,6]C[3x3,6]C[6x3]H[3]2HH)(H[3]C[4x3,6])2(H)2	C[4x3,6](C[6x3]C[3x3,6]2C[4x3,6]2C[5x3,6]C[6a])(C[4x3,6]C[3x3,6]C[6x3]H[3]2HH)(C[3x3,6]C[4x3,6]C[6x3]H[3]H3)(H[3]C[4x3,6])2(H)2	H(C[4x3,6]C[3x3,6]C[4x3,6]C[6x3]H[3]2H)	C[4x3,6](C[6x3]C[3x3,6]2C[4x3,6]2C[5x3,6]C[6a])(C[3x3,6]C[5x3,6]C[6x3]H[3,3]HH)(C[4x3,6]C[3x3,6]C[6x3]H[3]2HH)(H[3]C[4x3,6])2(H)2{2|C<3>,3|H<2>,6|H<1>}	C[4x3,6](C[6x3]C[3x3,6]2C[4x3,6]2C[5x3,6]C[6a])(C[4x3,6]C[3x3,6]C[6x3]H[3]2HH)(C[3x3,6]C[4x3,6]C[6x3]H[3]H3)(H[3]C[4x3,6])2(H)2{1|H<3>,2|C<3>,2|H<2>,5|H<1>}	H(C[4x3,6]C[3x3,6]C[4x3,6]C[6x3]H[3]2H)	125.2408	46.888	2	125.2408	2198.528	2	125.2408	2198.528	2	124.8693	1273.091	4	124.3869	1504.102	8	107.1182	836.414	69
238	238	951	0:SPD7_SP-NON_SPD7	C[4x3,6]	C[4x3,6]	H	7:6:7:2:2:1:1:	7:7:7:2:2:1:1:	7:	N[6x3]-7:C[3,3,4,6]-6:C[4x3,6]-7:H[3]-2:H[3]-2:H-1:H-1:	N[6x3]-7:C[4x3,6]-7:C[3x3,6]-7:H[3]-2:H[3]-2:H-1:H-1:	C[4x3,6]-7:	C[4x3,6](N[6x3]C[3,3,4,6]C[4x3,4,6]C[3x3,6]C[4x3,6]C[5x3,6]Ru)(C[3,3,4,6]C[4x3,4,6]N[6x3]H[4]HH)(C[4x3,6]C[3x3,6]N[6x3]H[3]2HH)(H[3]C[4x3,6])2(H)2	C[4x3,6](N[6x3]C[3,3,4,6]C[4x3,4,6]C[3x3,6]C[4x3,6]C[5x3,6]Ru)(C[4x3,6]C[3,3,4,6]N[6x3]H[3]2HH)(C[3x3,6]C[5x3,6]N[6x3]H[3]H3)(H[3]C[4x3,6])2(H)2	H(C[4x3,6]C[3,3,4,6]C[4x3,6]N[6x3]H[3]2H)	C[4x3,6](N[6x3]C[3,3,4,6]C[4x3,4,6]C[3x3,6]C[4x3,6]C[5x3,6]Ru)(C[3,3,4,6]C[4x3,4,6]N[6x3]H[4]HH)(C[4x3,6]C[3x3,6]N[6x3]H[3]2HH)(H[3]C[4x3,6])2(H)2{4|H<2>,5|H<1>}	C[4x3,6](N[6x3]C[3,3,4,6]C[4x3,4,6]C[3x3,6]C[4x3,6]C[5x3,6]Ru)(C[4x3,6]C[3,3,4,6]N[6x3]H[3]2HH)(C[3x3,6]C[5x3,6]N[6x3]H[3]H3)(H[3]C[4x3,6])2(H)2{4|H<1>,4|H<2>}	H(C[4x3,6]C[3,3,4,6]C[4x3,6]N[6x3]H[3]2H)	124.4978	40.252	2	124.4978	1620.194	2	124.4978	1620.194	2	124.8693	1273.091	4	124.3869	1504.102	8	107.1182	836.414	69
238	238	951	0:SPD7_SP-NON_SPD7	C[4x3,6]	C[4x3,6]	H	7:7:7:2:2:1:1:	7:6:7:2:2:1:1:	7:	C[6x3]-7:C[4x3,6]-7:C[3x3,6]-7:H[3]-2:H[3]-2:H-1:H-1:	C[6x3]-7:C[3x3,6]-6:C[4x3,6]-7:H[3]-2:H[3]-2:H-1:H-1:	C[4x3,6]-7:	C[4x3,6](C[6x3]C[3x3,6]2C[4x3,6]2C[5x3,6]C[6a])(C[4x3,6]C[3x3,6]C[6x3]H[3]2HH)(C[3x3,6]C[4x3,6]C[6x3]H[3]H3)(H[3]C[4x3,6])2(H)2	C[4x3,6](C[6x3]C[3x3,6]2C[4x3,6]2C[5x3,6]C[6a])(C[3x3,6]C[5x3,6]C[6x3]H[3,3]HH)(C[4x3,6]C[3x3,6]C[6x3]H[3]2HH)(H[3]C[4x3,6])2(H)2	H(C[4x3,6]C[3x3,6]C[4x3,6]C[6x3]H[3]2H)	C[4x3,6](C[6x3]C[3x3,6]2C[4x3,6]2C[5x3,6]C[6a])(C[4x3,6]C[3x3,6]C[6x3]H[3]2HH)(C[3x3,6]C[4x3,6]C[6x3]H[3]H3)(H[3]C[4x3,6])2(H)2{1|H<3>,2|C<3>,2|H<2>,5|H<1>}	C[4x3,6](C[6x3]C[3x3,6]2C[4x3,6]2C[5x3,6]C[6a])(C[3x3,6]C[5x3,6]C[6x3]H[3,3]HH)(C[4x3,6]C[3x3,6]C[6x3]H[3]2HH)(H[3]C[4x3,6])2(H)2{2|C<3>,3|H<2>,6|H<1>}	H(C[4x3,6]C[3x3,6]C[4x3,6]C[6x3]H[3]2H)	122.7815	53.994	2	122.7815	2915.356	2	122.7815	2915.356	2	123.9045	2235.860	4	124.3869	1504.102	8	107.1182	836.414	69
238	238	951	0:SPD7_SP-NON_SPD7	C[4x3,6]	C[4x3,6]	H	7:7:7:2:2:1:1:	7:6:7:2:2:1:1:	7:	N[6x3]-7:C[4x3,6]-7:C[3x3,6]-7:H[3]-2:H[3]-2:H-1:H-1:	N[6x3]-7:C[3,3,4,6]-6:C[4x3,6]-7:H[3]-2:H[3]-2:H-1:H-1:	C[4x3,6]-7:	C[4x3,6](N[6x3]C[3,3,4,6]C[4x3,4,6]C[3x3,6]C[4x3,6]C[5x3,6]Ru)(C[4x3,6]C[3,3,4,6]N[6x3]H[3]2HH)(C[3x3,6]C[5x3,6]N[6x3]H[3]H3)(H[3]C[4x3,6])2(H)2	C[4x3,6](N[6x3]C[3,3,4,6]C[4x3,4,6]C[3x3,6]C[4x3,6]C[5x3,6]Ru)(C[3,3,4,6]C[4x3,4,6]N[6x3]H[4]HH)(C[4x3,6]C[3x3,6]N[6x3]H[3]2HH)(H[3]C[4x3,6])2(H)2	H(C[4x3,6]C[3x3,6]C[4x3,6]N[6x3]H[3]2H)	C[4x3,6](N[6x3]C[3,3,4,6]C[4x3,4,6]C[3x3,6]C[4x3,6]C[5x3,6]Ru)(C[4x3,6]C[3,3,4,6]N[6x3]H[3]2HH)(C[3x3,6]C[5x3,6]N[6x3]H[3]H3)(H[3]C[4x3,6])2(H)2{4|H<1>,4|H<2>}	C[4x3,6](N[6x3]C[3,3,4,6]C[4x3,4,6]C[3x3,6]C[4x3,6]C[5x3,6]Ru)(C[3,3,4,6]C[4x3,4,6]N[6x3]H[4]HH)(C[4x3,6]C[3x3,6]N[6x3]H[3]2HH)(H[3]C[4x3,6])2(H)2{4|H<2>,5|H<1>}	H(C[4x3,6]C[3x3,6]C[4x3,6]N[6x3]H[3]2H)	125.0276	61.540	2	125.0276	3787.180	2	125.0276	3787.180	2	123.9045	2235.860	4	124.3869	1504.102	8	107.1182	836.414	69
238	238	951	0:SPD7_SP-NON_SPD7	C[4x3,6]	C[6x3]	H	7:6:7:2:2:1:1:	8:6:7:7:6:7:3:	7:	C[6x3]-7:C[3x3,6]-6:C[4x3,6]-7:H[3]-2:H[3]-2:H-1:H-1:	C[5x3,6]-8:C[3x3,6]-6:C[4x3,6]-7:C[4x3,6]-7:C[4x3,6]-6:C[3x3,6]-7:C[6a]-3:	C[4x3,6]-7:	C[4x3,6](C[6x3]C[3x3,6]2C[4x3,6]2C[5x3,6]C[6a])(C[3x3,6]C[5x3,6]C[6x3]H[3,3]HH)(C[4x3,6]C[3x3,6]C[6x3]H[3]2HH)(H[3]C[4x3,6])2(H)2	C[6x3](C[5x3,6]C[3x3,6]C[4x3,6]H[3,3]H[3]2HH)(C[3x3,6]C[4x3,6]C[5x3,6]H[3,3]HH)(C[4x3,6]C[3x3,6]C[4x3,6]H[3]2HH)2(C[4x3,6]C[3x3,6]C[5x3,6]H[3]2H)(C[3x3,6]C[4x3,6]2H[3]H3)(C[6a]C[6a]2)	H(C[4x3,6]C[3x3,6]C[4x3,6]C[6x3]H[3]2H)	C[4x3,6](C[6x3]C[3x3,6]2C[4x3,6]2C[5x3,6]C[6a])(C[3x3,6]C[5x3,6]C[6x3]H[3,3]HH)(C[4x3,6]C[3x3,6]C[6x3]H[3]2HH)(H[3]C[4x3,6])2(H)2{2|C<3>,3|H<2>,6|H<1>}	C[6x3](C[5x3,6]C[3x3,6]C[4x3,6]H[3,3]H[3]2HH)(C[3x3,6]C[4x3,6]C[5x3,6]H[3,3]HH)(C[4x3,6]C[3x3,6]C[4x3,6]H[3]2HH)2(C[4x3,6]C[3x3,6]C[5x3,6]H[3]2H)(C[3x3,6]C[4x3,6]2H[3]H3)(C[6a]C[6a]2){2|C<3>,2|H<1>}	H(C[4x3,6]C[3x3,6]C[4x3,6]C[6x3]H[3]2H)	112.5575	1.281	2	112.5575	1.640	2	112.5575	1.640	2	112.5575	1.640	2	111.0250	3.678	4	107.1182	836.414	69
238	238	951	0:SPD7_SP-NON_SPD7	C[4x3,6]	C[6x3]	H	7:7:7:2:2:1:1:	8:6:7:7:6:7:3:	7:	C[6x3]-7:C[4x3,6]-7:C[3x3,6]-7:H[3]-2:H[3]-2:H-1:H-1:	C[5x3,6]-8:C[3x3,6]-6:C[4x3,6]-7:C[4x3,6]-7:C[4x3,6]-6:C[3x3,6]-7:C[6a]-3:	C[4x3,6]-7:	C[4x3,6](C[6x3]C[3x3,6]2C[4x3,6]2C[5x3,6]C[6a])(C[4x3,6]C[3x3,6]C[6x3]H[3]2HH)(C[3x3,6]C[4x3,6]C[6x3]H[3]H3)(H[3]C[4x3,6])2(H)2	C[6x3](C[5x3,6]C[3x3,6]C[4x3,6]H[3,3]H[3]2HH)(C[3x3,6]C[4x3,6]C[5x3,6]H[3,3]HH)(C[4x3,6]C[3x3,6]C[4x3,6]H[3]2HH)2(C[4x3,6]C[3x3,6]C[5x3,6]H[3]2H)(C[3x3,6]C[4x3,6]2H[3]H3)(C[6a]C[6a]2)	H(C[4x3,6]C[3x3,6]C[4x3,6]C[6x3]H[3]2H)	C[4x3,6](C[6x3]C[3x3,6]2C[4x3,6]2C[5x3,6]C[6a])(C[4x3,6]C[3x3,6]C[6x3]H[3]2HH)(C[3x3,6]C[4x3,6]C[6x3]H[3]H3)(H[3]C[4x3,6])2(H)2{1|H<3>,2|C<3>,2|H<2>,5|H<1>}	C[6x3](C[5x3,6]C[3x3,6]C[4x3,6]H[3,3]H[3]2HH)(C[3x3,6]C[4x3,6]C[5x3,6]H[3,3]HH)(C[4x3,6]C[3x3,6]C[4x3,6]H[3]2HH)2(C[4x3,6]C[3x3,6]C[5x3,6]H[3]2H)(C[3x3,6]C[4x3,6]2H[3]H3)(C[6a]C[6a]2){2|C<3>,2|H<1>}	H(C[4x3,6]C[3x3,6]C[4x3,6]C[6x3]H[3]2H)	109.4925	0.015	2	109.4925	0.000	2	109.4925	0.000	2	109.4925	0.000	2	111.0250	3.678	4	107.1182	836.414	69
238	238	951	0:SPD7_SP-NON_SPD7	C[4x3]	C[3,3,3x4]	H	7:7:7:2:2:1:1:	7:7:3:2:2:1:1:	7:	C[4x3,4,4]-7:C[3,3,3x4]-7:C[4x3]-7:H[3]-2:H[3]-2:H-1:H-1:	C[4x3,4,4]-7:C[4x3]-7:H[3,4,4]-3:H[3]-2:H[4,4]-2:H-1:H-1:	C[4x3]-7:	C[4x3](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]C[5x3]C[6a])(C[3,3,3x4]C[4x3,4,4]H[3,4,4]H[4,4]H[3]HH)(C[4x3]C[4x3,4,4]C[5x3]H[3]2HH)(H[3]C[4x3])2(H)2	C[3,3,3x4](C[4x3,4,4]C[3x3]C[3x4]C[4x3]2C[5x3]C[6a])(C[4x3]C[4x3,4,4]C[4x3]H[3]2HH)(H[3,4,4]C[3x4]H[3])(H[3]H[3,4,4])(H[4,4]C[3x4])(H)2	H(C[4x3]C[3,3,3x4]C[4x3,4,4]C[4x3]H[3]2H)	C[4x3](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]C[5x3]C[6a])(C[3,3,3x4]C[4x3,4,4]H[3,4,4]H[4,4]H[3]HH)(C[4x3]C[4x3,4,4]C[5x3]H[3]2HH)(H[3]C[4x3])2(H)2{1|H<3>,2|C<3>,2|H<2>,4|H<1>}	C[3,3,3x4](C[4x3,4,4]C[3x3]C[3x4]C[4x3]2C[5x3]C[6a])(C[4x3]C[4x3,4,4]C[4x3]H[3]2HH)(H[3,4,4]C[3x4]H[3])(H[3]H[3,4,4])(H[4,4]C[3x4])(H)2{1|H<3>,2|C<3>,2|H<2>,6|H<1>}	H(C[4x3]C[3,3,3x4]C[4x3,4,4]C[4x3]H[3]2H)	78.8635	0.995	2	78.8635	0.989	2	78.8635	0.989	2	78.8635	0.989	2	78.8635	0.989	2	107.1182	836.414	69
238	238	951	0:SPD7_SP-NON_SPD7	C[4x3]	C[3x3,3x4]	H	7:7:6:2:2:1:1:	6:7:7:5:6:6:3:	7:	C[3x3,3x4]-7:C[4x3]-7:C[3x3]-6:H[3]-2:H[3]-2:H-1:H-1:	C[3,6x4]-6:C[4x3]-7:C[4x3]-7:C[6x4]-5:C[3x3]-6:C[3x3]-6:C[6a]-3:	C[4x3]-7:	C[4x3](C[3x3,3x4]C[3,6x4]C[3x3]2C[4x3]C[6x4]C[6a])(C[4x3]C[3x3,3x4]C[3x3]H[3]2HH)(C[3x3]C[3x3,3x4]H[3]2HH)(H[3]C[3x3])2(H)2	C[3x3,3x4](C[3,6x4]H[3,3x4]H[3x4]2H[3]H)(C[4x3]C[3x3]C[4x3]H[3]2HH)2(C[6x4]H[3,3x4]H[3x4]2H)(C[3x3]C[4x3]H[3]2HH)2(C[6a]C[6a]2)	H(C[4x3]C[3x3,3x4]C[3x3]C[4x3]H[3]2H)	C[4x3](C[3x3,3x4]C[3,6x4]C[3x3]2C[4x3]C[6x4]C[6a])(C[4x3]C[3x3,3x4]C[3x3]H[3]2HH)(C[3x3]C[3x3,3x4]H[3]2HH)(H[3]C[3x3])2(H)2{1|H<3>,2|C<3>,3|H<2>,4|H<1>}	C[3x3,3x4](C[3,6x4]H[3,3x4]H[3x4]2H[3]H)(C[4x3]C[3x3]C[4x3]H[3]2HH)2(C[6x4]H[3,3x4]H[3x4]2H)(C[3x3]C[4x3]H[3]2HH)2(C[6a]C[6a]2){2|C<3>,2|H<1>}	H(C[4x3]C[3x3,3x4]C[3x3]C[4x3]H[3]2H)	109.4590	0.018	3	109.4590	0.000	3	109.4590	0.000	3	109.4590	0.000	3	109.4590	0.000	3	107.1182	836.414	69
238	238	951	0:SPD7_SP-NON_SPD7	C[4x3]	C[3x3]	H	7:7:2:2:2:1:1:	7:7:3:2:2:1:1:	7:	C[3x3]-7:C[4x3]-7:H[3]-2:H[3]-2:H[3]-2:H-1:H-1:	C[4x3]-7:C[4x3]-7:C[6a]-3:H[3]-2:H[3]-2:H-1:H-1:	C[4x3]-7:	C[4x3](C[3x3]C[4x3]C[6a]H[3]2HH)(C[4x3]C[3x3]H[3]3HH)(H[3]C[3x3])(H[3]C[4x3])2(H)2	C[3x3](C[4x3]C[4x3]H[3]3HH)2(C[6a]C[6a]2)(H[3]C[4x3])2(H)2	H(C[4x3]C[3x3]C[4x3]H[3]3H)	C[4x3](C[3x3]C[4x3]C[6a]H[3]2HH)(C[4x3]C[3x3]H[3]3HH)(H[3]C[3x3])(H[3]C[4x3])2(H)2{2|C<3>}	C[3x3](C[4x3]C[4x3]H[3]3HH)2(C[6a]C[6a]2)(H[3]C[4x3])2(H)2{1|H<1>,3|C<3>}	H(C[4x3]C[3x3]C[4x3]H[3]3H)	110.0837	2.421	4	110.0837	5.863	4	110.0837	5.863	4	110.0837	5.863	4	110.0837	5.863	4	107.1182	836.414	69
238	238	951	0:SPD7_SP-NON_SPD7	C[4x3]	C[4x3,4,4]	H	7:7:7:2:2:1:1:	7:8:7:7:5:4:3:	7:	C[4x3,4,4]-7:C[3,3,3x4]-7:C[4x3]-7:H[3]-2:H[3]-2:H-1:H-1:	C[3,3,3x4]-7:C[5x3]-8:C[4x3]-7:C[4x3]-7:C[3x3]-5:C[3x4]-4:C[6a]-3:	C[4x3]-7:	C[4x3](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]C[5x3]C[6a])(C[3,3,3x4]C[4x3,4,4]H[3,4,4]H[4,4]H[3]HH)(C[4x3]C[4x3,4,4]C[5x3]H[3]2HH)(H[3]C[4x3])2(H)2	C[4x3,4,4](C[3,3,3x4]H[3,4,4]C[4x3]H[4,4]H[3]HH)(C[5x3]C[3x3]C[4x3]H[3,3]H[3]2HH)(C[4x3]C[3,3,3x4]C[4x3]H[3]2HH)(C[4x3]C[4x3]C[5x3]H[3]2HH)(C[3x3]C[5x3]H[3,3]H[3]H)(C[3x4]H[3,4,4]H[4,4]H)(C[6a]C[6a]2)	H(C[4x3]C[3,3,3x4]C[4x3,4,4]C[4x3]H[3]2H)	C[4x3](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]C[5x3]C[6a])(C[3,3,3x4]C[4x3,4,4]H[3,4,4]H[4,4]H[3]HH)(C[4x3]C[4x3,4,4]C[5x3]H[3]2HH)(H[3]C[4x3])2(H)2{1|H<3>,2|C<3>,2|H<2>,4|H<1>}	C[4x3,4,4](C[3,3,3x4]H[3,4,4]C[4x3]H[4,4]H[3]HH)(C[5x3]C[3x3]C[4x3]H[3,3]H[3]2HH)(C[4x3]C[3,3,3x4]C[4x3]H[3]2HH)(C[4x3]C[4x3]C[5x3]H[3]2HH)(C[3x3]C[5x3]H[3,3]H[3]H)(C[3x4]H[3,4,4]H[4,4]H)(C[6a]C[6a]2){2|C<3>,2|H<1>}	H(C[4x3]C[3,3,3x4]C[4x3,4,4]C[4x3]H[3]2H)	109.4365	0.009	2	109.4365	0.000	2	109.4365	0.000	2	109.4365	0.000	2	109.4493	0.001	4	107.1182	836.414	69
238	238	951	0:SPD7_SP-NON_SPD7	C[4x3]	C[4x3,4,4]	H	7:8:7:2:2:1:1:	7:8:7:7:5:4:3:	7:	C[4x3,4,4]-7:C[5x3]-8:C[4x3]-7:H[3]-2:H[3]-2:H-1:H-1:	C[3,3,3x4]-7:C[5x3]-8:C[4x3]-7:C[4x3]-7:C[3x3]-5:C[3x4]-4:C[6a]-3:	C[4x3]-7:	C[4x3](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]C[5x3]C[6a])(C[5x3]C[4x3,4,4]C[3x3]H[3,3]H[3]2HH)(C[4x3]C[3,3,3x4]C[4x3,4,4]H[3]2HH)(H[3]C[4x3])2(H)2	C[4x3,4,4](C[3,3,3x4]H[3,4,4]C[4x3]H[4,4]H[3]HH)(C[5x3]C[3x3]C[4x3]H[3,3]H[3]2HH)(C[4x3]C[3,3,3x4]C[4x3]H[3]2HH)(C[4x3]C[4x3]C[5x3]H[3]2HH)(C[3x3]C[5x3]H[3,3]H[3]H)(C[3x4]H[3,4,4]H[4,4]H)(C[6a]C[6a]2)	H(C[4x3]C[4x3,4,4]C[4x3]C[5x3]H[3]2H)	C[4x3](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]C[5x3]C[6a])(C[5x3]C[4x3,4,4]C[3x3]H[3,3]H[3]2HH)(C[4x3]C[3,3,3x4]C[4x3,4,4]H[3]2HH)(H[3]C[4x3])2(H)2{1|H<3>,2|C<3>,2|H<2>,4|H<1>}	C[4x3,4,4](C[3,3,3x4]H[3,4,4]C[4x3]H[4,4]H[3]HH)(C[5x3]C[3x3]C[4x3]H[3,3]H[3]2HH)(C[4x3]C[3,3,3x4]C[4x3]H[3]2HH)(C[4x3]C[4x3]C[5x3]H[3]2HH)(C[3x3]C[5x3]H[3,3]H[3]H)(C[3x4]H[3,4,4]H[4,4]H)(C[6a]C[6a]2){2|C<3>,2|H<1>}	H(C[4x3]C[4x3,4,4]C[4x3]C[5x3]H[3]2H)	109.4620	0.035	2	109.4620	0.001	2	109.4620	0.001	2	109.4620	0.001	2	109.4493	0.001	4	107.1182	836.414	69
238	238	951	0:SPD7_SP-NON_SPD7	C[4x3]	C[4x3]	H	7:2:2:2:2:2:1:	7:2:2:2:2:2:1:	7:	C[4x3]-7:H[3]-2:H[3]-2:H[3]-2:H[3]-2:O-2:H-1:	C[4x3]-7:H[3]-2:H[3]-2:H[3]-2:H[3]-2:O-2:H-1:	C[4x3]-7:	C[4x3](C[4x3]H[3]4HO)(H[3]C[4x3])4(OH)(H)	C[4x3](C[4x3]H[3]4HO)(H[3]C[4x3])4(OH)(H)	H(C[4x3]C[4x3]H[3]4O)	C[4x3](C[4x3]H[3]4HO)(H[3]C[4x3])4(OH)(H)	C[4x3](C[4x3]H[3]4HO)(H[3]C[4x3])4(OH)(H)	H(C[4x3]C[4x3]H[3]4O)	129.4950	0.000	1	129.4950	0.000	1	129.4950	0.000	1	129.4950	0.000	1	110.4140	1383.541	13	107.1182	836.414	69
238	238	951	0:SPD7_SP-NON_SPD7	C[4x3]	C[4x3]	H	7:7:2:2:2:1:1:	7:7:2:2:2:1:1:	7:	C[3x3]-7:C[4x3]-7:H[3]-2:H[3]-2:H[3]-2:H-1:H-1:	C[3x3]-7:C[4x3]-7:H[3]-2:H[3]-2:H[3]-2:H-1:H-1:	C[4x3]-7:	C[4x3](C[3x3]C[4x3]C[6a]H[3]2HH)(C[4x3]C[3x3]H[3]3HH)(H[3]C[3x3])(H[3]C[4x3])2(H)2	C[4x3](C[3x3]C[4x3]C[6a]H[3]2HH)(C[4x3]C[3x3]H[3]3HH)(H[3]C[3x3])(H[3]C[4x3])2(H)2	H(C[4x3]C[3x3]C[4x3]H[3]3H)	C[4x3](C[3x3]C[4x3]C[6a]H[3]2HH)(C[4x3]C[3x3]H[3]3HH)(H[3]C[3x3])(H[3]C[4x3])2(H)2{2|C<3>}	C[4x3](C[3x3]C[4x3]C[6a]H[3]2HH)(C[4x3]C[3x3]H[3]3HH)(H[3]C[3x3])(H[3]C[4x3])2(H)2{2|C<3>}	H(C[4x3]C[3x3]C[4x3]H[3]3H)	124.5504	47.580	4	124.5504	2263.874	4	124.5504	2263.874	4	124.5504	2263.874	4	110.4140	1383.541	13	107.1182	836.414	69
238	238	951	0:SPD7_SP-NON_SPD7	C[4x3]	C[4x3]	H	7:7:6:2:2:1:1:	7:7:6:2:2:1:1:	7:	C[3x3,3x4]-7:C[4x3]-7:C[3x3]-6:H[3]-2:H[3]-2:H-1:H-1:	C[3x3,3x4]-7:C[4x3]-7:C[3x3]-6:H[3]-2:H[3]-2:H-1:H-1:	C[4x3]-7:	C[4x3](C[3x3,3x4]C[3,6x4]C[3x3]2C[4x3]C[6x4]C[6a])(C[4x3]C[3x3,3x4]C[3x3]H[3]2HH)(C[3x3]C[3x3,3x4]H[3]2HH)(H[3]C[3x3])2(H)2	C[4x3](C[3x3,3x4]C[3,6x4]C[3x3]2C[4x3]C[6x4]C[6a])(C[4x3]C[3x3,3x4]C[3x3]H[3]2HH)(C[3x3]C[3x3,3x4]H[3]2HH)(H[3]C[3x3])2(H)2	H(C[4x3]C[3x3,3x4]C[3x3]C[4x3]H[3]2H)	C[4x3](C[3x3,3x4]C[3,6x4]C[3x3]2C[4x3]C[6x4]C[6a])(C[4x3]C[3x3,3x4]C[3x3]H[3]2HH)(C[3x3]C[3x3,3x4]H[3]2HH)(H[3]C[3x3])2(H)2{1|H<3>,2|C<3>,3|H<2>,4|H<1>}	C[4x3](C[3x3,3x4]C[3,6x4]C[3x3]2C[4x3]C[6x4]C[6a])(C[4x3]C[3x3,3x4]C[3x3]H[3]2HH)(C[3x3]C[3x3,3x4]H[3]2HH)(H[3]C[3x3])2(H)2{1|H<3>,2|C<3>,3|H<2>,4|H<1>}	H(C[4x3]C[3x3,3x4]C[3x3]C[4x3]H[3]2H)	77.0404	7.502	4	77.0404	56.279	4	77.0404	56.279	4	77.0404	56.279	4	110.4140	1383.541	13	107.1182	836.414	69
238	238	951	0:SPD7_SP-NON_SPD7	C[4x3]	C[4x3]	H	7:7:7:2:2:1:1:	7:8:7:2:2:1:1:	7:	C[4x3,4,4]-7:C[3,3,3x4]-7:C[4x3]-7:H[3]-2:H[3]-2:H-1:H-1:	C[4x3,4,4]-7:C[5x3]-8:C[4x3]-7:H[3]-2:H[3]-2:H-1:H-1:	C[4x3]-7:	C[4x3](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]C[5x3]C[6a])(C[3,3,3x4]C[4x3,4,4]H[3,4,4]H[4,4]H[3]HH)(C[4x3]C[4x3,4,4]C[5x3]H[3]2HH)(H[3]C[4x3])2(H)2	C[4x3](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]C[5x3]C[6a])(C[5x3]C[4x3,4,4]C[3x3]H[3,3]H[3]2HH)(C[4x3]C[3,3,3x4]C[4x3,4,4]H[3]2HH)(H[3]C[4x3])2(H)2	H(C[4x3]C[3,3,3x4]C[4x3,4,4]C[4x3]H[3]2H)	C[4x3](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]C[5x3]C[6a])(C[3,3,3x4]C[4x3,4,4]H[3,4,4]H[4,4]H[3]HH)(C[4x3]C[4x3,4,4]C[5x3]H[3]2HH)(H[3]C[4x3])2(H)2{1|H<3>,2|C<3>,2|H<2>,4|H<1>}	C[4x3](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]C[5x3]C[6a])(C[5x3]C[4x3,4,4]C[3x3]H[3,3]H[3]2HH)(C[4x3]C[3,3,3x4]C[4x3,4,4]H[3]2HH)(H[3]C[4x3])2(H)2{1|H<3>,2|C<3>,2|H<2>,4|H<1>}	H(C[4x3]C[3,3,3x4]C[4x3,4,4]C[4x3]H[3]2H)	125.1228	36.310	2	125.1228	1318.427	2	125.1228	1318.427	2	125.1228	1318.427	2	110.4140	1383.541	13	107.1182	836.414	69
238	238	951	0:SPD7_SP-NON_SPD7	C[4x3]	C[4x3]	H	7:8:7:2:2:1:1:	7:7:7:2:2:1:1:	7:	C[4x3,4,4]-7:C[5x3]-8:C[4x3]-7:H[3]-2:H[3]-2:H-1:H-1:	C[4x3,4,4]-7:C[3,3,3x4]-7:C[4x3]-7:H[3]-2:H[3]-2:H-1:H-1:	C[4x3]-7:	C[4x3](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]C[5x3]C[6a])(C[5x3]C[4x3,4,4]C[3x3]H[3,3]H[3]2HH)(C[4x3]C[3,3,3x4]C[4x3,4,4]H[3]2HH)(H[3]C[4x3])2(H)2	C[4x3](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]C[5x3]C[6a])(C[3,3,3x4]C[4x3,4,4]H[3,4,4]H[4,4]H[3]HH)(C[4x3]C[4x3,4,4]C[5x3]H[3]2HH)(H[3]C[4x3])2(H)2	H(C[4x3]C[4x3,4,4]C[4x3]C[5x3]H[3]2H)	C[4x3](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]C[5x3]C[6a])(C[5x3]C[4x3,4,4]C[3x3]H[3,3]H[3]2HH)(C[4x3]C[3,3,3x4]C[4x3,4,4]H[3]2HH)(H[3]C[4x3])2(H)2{1|H<3>,2|C<3>,2|H<2>,4|H<1>}	C[4x3](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]C[5x3]C[6a])(C[3,3,3x4]C[4x3,4,4]H[3,4,4]H[4,4]H[3]HH)(C[4x3]C[4x3,4,4]C[5x3]H[3]2HH)(H[3]C[4x3])2(H)2{1|H<3>,2|C<3>,2|H<2>,4|H<1>}	H(C[4x3]C[4x3,4,4]C[4x3]C[5x3]H[3]2H)	124.6391	43.215	2	124.6391	1867.571	2	124.6391	1867.571	2	124.6391	1867.571	2	110.4140	1383.541	13	107.1182	836.414	69
238	238	951	0:SPD7_SP-NON_SPD7	C[5x3,6]	C[3x3,6]	H	7:7:7:2:2:2:1:	7:7:7:2:1:1:1:	7:	N[6x3]-7:C[4x3,4,6]-7:C[3x3,6]-7:H[3]-2:H[3]-2:H[3]-2:H-1:	N[6x3]-7:C[5x3,6]-7:C[4x3,6]-7:H[3]-2:H-1:H-1:H-1:	C[5x3,6]-7:	C[5x3,6](N[6x3]C[3,3,4,6]C[4x3,4,6]C[3x3,6]C[4x3,6]2Ru)(C[4x3,4,6]C[3,3,4,6]N[6x3]H[3]2H[4]H)(C[3x3,6]C[4x3,6]N[6x3]H[3]H3)(H[3]C[4x3,4,6])2(H[3]C[3x3,6])(H)	C[3x3,6](N[6x3]C[3,3,4,6]C[4x3,4,6]C[4x3,6]2C[5x3,6]Ru)(C[5x3,6]C[4x3,4,6]N[6x3]H[3]3H)(C[4x3,6]C[4x3,6]N[6x3]H[3]2HH)(H[3]C[5x3,6])(H)3	H(C[5x3,6]C[4x3,4,6]C[3x3,6]N[6x3]H[3]3)	C[5x3,6](N[6x3]C[3,3,4,6]C[4x3,4,6]C[3x3,6]C[4x3,6]2Ru)(C[4x3,4,6]C[3,3,4,6]N[6x3]H[3]2H[4]H)(C[3x3,6]C[4x3,6]N[6x3]H[3]H3)(H[3]C[4x3,4,6])2(H[3]C[3x3,6])(H){3|H<2>,6|H<1>}	C[3x3,6](N[6x3]C[3,3,4,6]C[4x3,4,6]C[4x3,6]2C[5x3,6]Ru)(C[5x3,6]C[4x3,4,6]N[6x3]H[3]3H)(C[4x3,6]C[4x3,6]N[6x3]H[3]2HH)(H[3]C[5x3,6])(H)3{2|H<2>,5|H<1>}	H(C[5x3,6]C[4x3,4,6]C[3x3,6]N[6x3]H[3]3)	87.4799	0.000	1	87.4799	0.000	1	87.4799	0.000	1	87.4799	0.000	1	87.4799	0.000	1	107.1182	836.414	69
238	238	951	0:SPD7_SP-NON_SPD7	C[5x3,6]	C[4x3,4,6]	H	7:7:7:2:2:2:1:	7:6:7:2:2:2:1:	7:	N[6x3]-7:C[4x3,4,6]-7:C[3x3,6]-7:H[3]-2:H[3]-2:H[3]-2:H-1:	N[6x3]-7:C[3,3,4,6]-6:C[5x3,6]-7:H[3]-2:H[3]-2:H[4]-2:H-1:	C[5x3,6]-7:	C[5x3,6](N[6x3]C[3,3,4,6]C[4x3,4,6]C[3x3,6]C[4x3,6]2Ru)(C[4x3,4,6]C[3,3,4,6]N[6x3]H[3]2H[4]H)(C[3x3,6]C[4x3,6]N[6x3]H[3]H3)(H[3]C[4x3,4,6])2(H[3]C[3x3,6])(H)	C[4x3,4,6](N[6x3]C[3,3,4,6]C[3x3,6]C[4x3,6]2C[5x3,6]Ru)(C[3,3,4,6]C[4x3,6]N[6x3]H[4]HH)(C[5x3,6]C[3x3,6]N[6x3]H[3]3H)(H[3]C[5x3,6])2(H[4]H[4])(H)	H(C[5x3,6]C[4x3,4,6]C[3x3,6]N[6x3]H[3]3)	C[5x3,6](N[6x3]C[3,3,4,6]C[4x3,4,6]C[3x3,6]C[4x3,6]2Ru)(C[4x3,4,6]C[3,3,4,6]N[6x3]H[3]2H[4]H)(C[3x3,6]C[4x3,6]N[6x3]H[3]H3)(H[3]C[4x3,4,6])2(H[3]C[3x3,6])(H){3|H<2>,6|H<1>}	C[4x3,4,6](N[6x3]C[3,3,4,6]C[3x3,6]C[4x3,6]2C[5x3,6]Ru)(C[3,3,4,6]C[4x3,6]N[6x3]H[4]HH)(C[5x3,6]C[3x3,6]N[6x3]H[3]3H)(H[3]C[5x3,6])2(H[4]H[4])(H){2|H<2>,7|H<1>}	H(C[5x3,6]C[4x3,4,6]C[3x3,6]N[6x3]H[3]3)	83.3207	0.000	1	83.3207	0.000	1	83.3207	0.000	1	83.3207	0.000	1	83.3207	0.000	1	107.1182	836.414	69
238	238	968	0:SPD7_SP-NON_SPD7	C[3,3,3x4]	C[4x3,4,4]	H[3]	7:7:3:2:2:1:1:	7:8:7:7:5:4:3:	7:3:	C[4x3,4,4]-7:C[4x3]-7:H[3,4,4]-3:H[3]-2:H[4,4]-2:H-1:H-1:	C[3,3,3x4]-7:C[5x3]-8:C[4x3]-7:C[4x3]-7:C[3x3]-5:C[3x4]-4:C[6a]-3:	C[3,3,3x4]-7:H[3,4,4]-3:	C[3,3,3x4](C[4x3,4,4]C[3x3]C[3x4]C[4x3]2C[5x3]C[6a])(C[4x3]C[4x3,4,4]C[4x3]H[3]2HH)(H[3,4,4]C[3x4]H[3])(H[3]H[3,4,4])(H[4,4]C[3x4])(H)2	C[4x3,4,4](C[3,3,3x4]H[3,4,4]C[4x3]H[4,4]H[3]HH)(C[5x3]C[3x3]C[4x3]H[3,3]H[3]2HH)(C[4x3]C[3,3,3x4]C[4x3]H[3]2HH)(C[4x3]C[4x3]C[5x3]H[3]2HH)(C[3x3]C[5x3]H[3,3]H[3]H)(C[3x4]H[3,4,4]H[4,4]H)(C[6a]C[6a]2)	H[3](C[3,3,3x4]C[4x3,4,4]H[3,4,4]C[4x3]H[4,4]HH)(H[3,4,4]C[3,3,3x4]C[3x4])	C[3,3,3x4](C[4x3,4,4]C[3x3]C[3x4]C[4x3]2C[5x3]C[6a])(C[4x3]C[4x3,4,4]C[4x3]H[3]2HH)(H[3,4,4]C[3x4]H[3])(H[3]H[3,4,4])(H[4,4]C[3x4])(H)2{1|H<3>,2|C<3>,2|H<2>,6|H<1>}	C[4x3,4,4](C[3,3,3x4]H[3,4,4]C[4x3]H[4,4]H[3]HH)(C[5x3]C[3x3]C[4x3]H[3,3]H[3]2HH)(C[4x3]C[3,3,3x4]C[4x3]H[3]2HH)(C[4x3]C[4x3]C[5x3]H[3]2HH)(C[3x3]C[5x3]H[3,3]H[3]H)(C[3x4]H[3,4,4]H[4,4]H)(C[6a]C[6a]2){2|C<3>,2|H<1>}	H[3](C[3,3,3x4]C[4x3,4,4]H[3,4,4]C[4x3]H[4,4]HH)(H[3,4,4]C[3,3,3x4]C[3x4])	109.4810	0.000	1	109.4810	0.000	1	109.4810	0.000	1	109.4810	0.000	1	109.4810	0.000	1	97.2089	1874.651	70
238	238	968	0:SPD7_SP-NON_SPD7	C[3,3,3x4]	C[4x3]	H[3]	7:7:3:2:2:1:1:	7:7:7:2:2:1:1:	7:3:	C[4x3,4,4]-7:C[4x3]-7:H[3,4,4]-3:H[3]-2:H[4,4]-2:H-1:H-1:	C[4x3,4,4]-7:C[3,3,3x4]-7:C[4x3]-7:H[3]-2:H[3]-2:H-1:H-1:	C[3,3,3x4]-7:H[3,4,4]-3:	C[3,3,3x4](C[4x3,4,4]C[3x3]C[3x4]C[4x3]2C[5x3]C[6a])(C[4x3]C[4x3,4,4]C[4x3]H[3]2HH)(H[3,4,4]C[3x4]H[3])(H[3]H[3,4,4])(H[4,4]C[3x4])(H)2	C[4x3](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]C[5x3]C[6a])(C[3,3,3x4]C[4x3,4,4]H[3,4,4]H[4,4]H[3]HH)(C[4x3]C[4x3,4,4]C[5x3]H[3]2HH)(H[3]C[4x3])2(H)2	H[3](C[3,3,3x4]C[4x3,4,4]H[3,4,4]C[4x3]H[4,4]HH)(H[3,4,4]C[3,3,3x4]C[3x4])	C[3,3,3x4](C[4x3,4,4]C[3x3]C[3x4]C[4x3]2C[5x3]C[6a])(C[4x3]C[4x3,4,4]C[4x3]H[3]2HH)(H[3,4,4]C[3x4]H[3])(H[3]H[3,4,4])(H[4,4]C[3x4])(H)2{1|H<3>,2|C<3>,2|H<2>,6|H<1>}	C[4x3](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]C[5x3]C[6a])(C[3,3,3x4]C[4x3,4,4]H[3,4,4]H[4,4]H[3]HH)(C[4x3]C[4x3,4,4]C[5x3]H[3]2HH)(H[3]C[4x3])2(H)2{1|H<3>,2|C<3>,2|H<2>,4|H<1>}	H[3](C[3,3,3x4]C[4x3,4,4]H[3,4,4]C[4x3]H[4,4]HH)(H[3,4,4]C[3,3,3x4]C[3x4])	91.7291	0.000	1	91.7291	0.000	1	91.7291	0.000	1	91.7291	0.000	1	91.7291	0.000	1	97.2089	1874.651	70
238	238	968	0:SPD7_SP-NON_SPD7	C[3x3,6]	C[4x3,6]	H[3]	7:7:6:2:1:1:1:	7:7:7:2:2:1:1:	6:7:	C[6x3]-7:C[4x3,6]-7:C[4x3,6]-6:H[3]-2:H-1:H-1:H-1:	C[6x3]-7:C[4x3,6]-7:C[3x3,6]-7:H[3]-2:H[3]-2:H-1:H-1:	C[4x3,6]-6:C[3x3,6]-7:	C[3x3,6](C[6x3]C[3x3,6]C[4x3,6]3C[5x3,6]C[6a])(C[4x3,6]C[4x3,6]C[6x3]H[3]2HH)(C[4x3,6]C[5x3,6]C[6x3]H[3]2H)(H[3]C[4x3,6])(H)3	C[4x3,6](C[6x3]C[3x3,6]2C[4x3,6]2C[5x3,6]C[6a])(C[4x3,6]C[3x3,6]C[6x3]H[3]2HH)(C[3x3,6]C[4x3,6]C[6x3]H[3]H3)(H[3]C[4x3,6])2(H)2	H[3](C[4x3,6]C[3x3,6]C[5x3,6]C[6x3]H[3]H)(C[3x3,6]C[4x3,6]2C[6x3]H3)	C[3x3,6](C[6x3]C[3x3,6]C[4x3,6]3C[5x3,6]C[6a])(C[4x3,6]C[4x3,6]C[6x3]H[3]2HH)(C[4x3,6]C[5x3,6]C[6x3]H[3]2H)(H[3]C[4x3,6])(H)3{1|H<2>,1|H<3>,2|C<3>,6|H<1>}	C[4x3,6](C[6x3]C[3x3,6]2C[4x3,6]2C[5x3,6]C[6a])(C[4x3,6]C[3x3,6]C[6x3]H[3]2HH)(C[3x3,6]C[4x3,6]C[6x3]H[3]H3)(H[3]C[4x3,6])2(H)2{1|H<3>,2|C<3>,2|H<2>,5|H<1>}	H[3](C[4x3,6]C[3x3,6]C[5x3,6]C[6x3]H[3]H)(C[3x3,6]C[4x3,6]2C[6x3]H3)	142.7030	0.000	1	142.7030	0.000	1	142.7030	0.000	1	142.7030	0.000	1	142.8080	0.022	2	97.2089	1874.651	70
238	238	968	0:SPD7_SP-NON_SPD7	C[3x3,6]	C[4x3,6]	H[3]	7:7:7:2:1:1:1:	7:7:7:2:2:1:1:	7:7:	N[6x3]-7:C[5x3,6]-7:C[4x3,6]-7:H[3]-2:H-1:H-1:H-1:	N[6x3]-7:C[4x3,6]-7:C[3x3,6]-7:H[3]-2:H[3]-2:H-1:H-1:	C[5x3,6]-7:C[3x3,6]-7:	C[3x3,6](N[6x3]C[3,3,4,6]C[4x3,4,6]C[4x3,6]2C[5x3,6]Ru)(C[5x3,6]C[4x3,4,6]N[6x3]H[3]3H)(C[4x3,6]C[4x3,6]N[6x3]H[3]2HH)(H[3]C[5x3,6])(H)3	C[4x3,6](N[6x3]C[3,3,4,6]C[4x3,4,6]C[3x3,6]C[4x3,6]C[5x3,6]Ru)(C[4x3,6]C[3,3,4,6]N[6x3]H[3]2HH)(C[3x3,6]C[5x3,6]N[6x3]H[3]H3)(H[3]C[4x3,6])2(H)2	H[3](C[5x3,6]C[4x3,4,6]C[3x3,6]N[6x3]H[3]2H)(C[3x3,6]C[4x3,6]C[5x3,6]N[6x3]H3)	C[3x3,6](N[6x3]C[3,3,4,6]C[4x3,4,6]C[4x3,6]2C[5x3,6]Ru)(C[5x3,6]C[4x3,4,6]N[6x3]H[3]3H)(C[4x3,6]C[4x3,6]N[6x3]H[3]2HH)(H[3]C[5x3,6])(H)3{2|H<2>,5|H<1>}	C[4x3,6](N[6x3]C[3,3,4,6]C[4x3,4,6]C[3x3,6]C[4x3,6]C[5x3,6]Ru)(C[4x3,6]C[3,3,4,6]N[6x3]H[3]2HH)(C[3x3,6]C[5x3,6]N[6x3]H[3]H3)(H[3]C[4x3,6])2(H)2{4|H<1>,4|H<2>}	H[3](C[5x3,6]C[4x3,4,6]C[3x3,6]N[6x3]H[3]2H)(C[3x3,6]C[4x3,6]C[5x3,6]N[6x3]H3)	142.9130	0.000	1	142.9130	0.000	1	142.9130	0.000	1	142.9130	0.000	1	142.8080	0.022	2	97.2089	1874.651	70
238	238	968	0:SPD7_SP-NON_SPD7	C[3x3,6]	C[5x3,6]	H[3]	7:7:7:2:1:1:1:	7:7:7:2:2:2:1:	7:7:	N[6x3]-7:C[5x3,6]-7:C[4x3,6]-7:H[3]-2:H-1:H-1:H-1:	N[6x3]-7:C[4x3,4,6]-7:C[3x3,6]-7:H[3]-2:H[3]-2:H[3]-2:H-1:	C[5x3,6]-7:C[3x3,6]-7:	C[3x3,6](N[6x3]C[3,3,4,6]C[4x3,4,6]C[4x3,6]2C[5x3,6]Ru)(C[5x3,6]C[4x3,4,6]N[6x3]H[3]3H)(C[4x3,6]C[4x3,6]N[6x3]H[3]2HH)(H[3]C[5x3,6])(H)3	C[5x3,6](N[6x3]C[3,3,4,6]C[4x3,4,6]C[3x3,6]C[4x3,6]2Ru)(C[4x3,4,6]C[3,3,4,6]N[6x3]H[3]2H[4]H)(C[3x3,6]C[4x3,6]N[6x3]H[3]H3)(H[3]C[4x3,4,6])2(H[3]C[3x3,6])(H)	H[3](C[5x3,6]C[4x3,4,6]C[3x3,6]N[6x3]H[3]2H)(C[3x3,6]C[4x3,6]C[5x3,6]N[6x3]H3)	C[3x3,6](N[6x3]C[3,3,4,6]C[4x3,4,6]C[4x3,6]2C[5x3,6]Ru)(C[5x3,6]C[4x3,4,6]N[6x3]H[3]3H)(C[4x3,6]C[4x3,6]N[6x3]H[3]2HH)(H[3]C[5x3,6])(H)3{2|H<2>,5|H<1>}	C[5x3,6](N[6x3]C[3,3,4,6]C[4x3,4,6]C[3x3,6]C[4x3,6]2Ru)(C[4x3,4,6]C[3,3,4,6]N[6x3]H[3]2H[4]H)(C[3x3,6]C[4x3,6]N[6x3]H[3]H3)(H[3]C[4x3,4,6])2(H[3]C[3x3,6])(H){3|H<2>,6|H<1>}	H[3](C[5x3,6]C[4x3,4,6]C[3x3,6]N[6x3]H[3]2H)(C[3x3,6]C[4x3,6]C[5x3,6]N[6x3]H3)	42.5208	0.000	1	42.5208	0.000	1	42.5208	0.000	1	42.5208	0.000	1	42.5208	0.000	1	97.2089	1874.651	70
238	238	968	0:SPD7_SP-NON_SPD7	C[3x3,6]	C[6x3]	H[3]	7:7:6:2:1:1:1:	8:6:7:7:6:7:3:	6:7:	C[6x3]-7:C[4x3,6]-7:C[4x3,6]-6:H[3]-2:H-1:H-1:H-1:	C[5x3,6]-8:C[3x3,6]-6:C[4x3,6]-7:C[4x3,6]-7:C[4x3,6]-6:C[3x3,6]-7:C[6a]-3:	C[4x3,6]-6:C[3x3,6]-7:	C[3x3,6](C[6x3]C[3x3,6]C[4x3,6]3C[5x3,6]C[6a])(C[4x3,6]C[4x3,6]C[6x3]H[3]2HH)(C[4x3,6]C[5x3,6]C[6x3]H[3]2H)(H[3]C[4x3,6])(H)3	C[6x3](C[5x3,6]C[3x3,6]C[4x3,6]H[3,3]H[3]2HH)(C[3x3,6]C[4x3,6]C[5x3,6]H[3,3]HH)(C[4x3,6]C[3x3,6]C[4x3,6]H[3]2HH)2(C[4x3,6]C[3x3,6]C[5x3,6]H[3]2H)(C[3x3,6]C[4x3,6]2H[3]H3)(C[6a]C[6a]2)	H[3](C[4x3,6]C[3x3,6]C[5x3,6]C[6x3]H[3]H)(C[3x3,6]C[4x3,6]2C[6x3]H3)	C[3x3,6](C[6x3]C[3x3,6]C[4x3,6]3C[5x3,6]C[6a])(C[4x3,6]C[4x3,6]C[6x3]H[3]2HH)(C[4x3,6]C[5x3,6]C[6x3]H[3]2H)(H[3]C[4x3,6])(H)3{1|H<2>,1|H<3>,2|C<3>,6|H<1>}	C[6x3](C[5x3,6]C[3x3,6]C[4x3,6]H[3,3]H[3]2HH)(C[3x3,6]C[4x3,6]C[5x3,6]H[3,3]HH)(C[4x3,6]C[3x3,6]C[4x3,6]H[3]2HH)2(C[4x3,6]C[3x3,6]C[5x3,6]H[3]2H)(C[3x3,6]C[4x3,6]2H[3]H3)(C[6a]C[6a]2){2|C<3>,2|H<1>}	H[3](C[4x3,6]C[3x3,6]C[5x3,6]C[6x3]H[3]H)(C[3x3,6]C[4x3,6]2C[6x3]H3)	92.4975	0.000	1	92.4975	0.000	1	92.4975	0.000	1	92.4975	0.000	1	92.4975	0.000	1	97.2089	1874.651	70
238	238	968	0:SPD7_SP-NON_SPD7	C[3x3]	C[4x3]	H[3]	7:7:3:2:2:1:1:	7:7:2:2:2:1:1:	7:7:	C[4x3]-7:C[4x3]-7:C[6a]-3:H[3]-2:H[3]-2:H-1:H-1:	C[3x3]-7:C[4x3]-7:H[3]-2:H[3]-2:H[3]-2:H-1:H-1:	C[4x3]-7:C[3x3]-7:	C[3x3](C[4x3]C[4x3]H[3]3HH)2(C[6a]C[6a]2)(H[3]C[4x3])2(H)2	C[4x3](C[3x3]C[4x3]C[6a]H[3]2HH)(C[4x3]C[3x3]H[3]3HH)(H[3]C[3x3])(H[3]C[4x3])2(H)2	H[3](C[4x3]C[3x3]C[4x3]H[3]2HH)(C[3x3]C[4x3]2C[6a]H[3]HH)	C[3x3](C[4x3]C[4x3]H[3]3HH)2(C[6a]C[6a]2)(H[3]C[4x3])2(H)2{1|H<1>,3|C<3>}	C[4x3](C[3x3]C[4x3]C[6a]H[3]2HH)(C[4x3]C[3x3]H[3]3HH)(H[3]C[3x3])(H[3]C[4x3])2(H)2{2|C<3>}	H[3](C[4x3]C[3x3]C[4x3]H[3]2HH)(C[3x3]C[4x3]2C[6a]H[3]HH)	79.7477	30.001	4	79.7477	900.042	4	79.7477	900.042	4	79.7477	900.042	4	79.7477	900.042	4	97.2089	1874.651	70
238	238	968	0:SPD7_SP-NON_SPD7	C[4x3,4,6]	C[4x3,4,6]	H[3]	7:7:6:3:2:2:1:	7:7:6:3:2:2:1:	7:3:	C[6x3]-7:C[4x3,4,6]-7:C[3x3,4,6]-6:H[3,3]-3:H[3]-2:H[4]-2:H-1:	C[6x3]-7:C[4x3,4,6]-7:C[3x3,4,6]-6:H[3,3]-3:H[3]-2:H[4]-2:H-1:	C[4x3,4,6]-7:H[3,3]-3:	C[4x3,4,6](C[6x3]C[3,3,4,4,6]2C[3x3,4,6]2C[4x3,4,6]C[6])(C[4x3,4,6]C[3x3,4,6]C[6x3]H[3,3]H[3]H[4]H)(C[3x3,4,6]C[3,3,4,4,6]C[6x3]H[3,3]H[4]H)(H[3,3]C[3x3,4,6]H[3])(H[3]H[3,3])(H[4]H[4])(H)	C[4x3,4,6](C[6x3]C[3,3,4,4,6]2C[3x3,4,6]2C[4x3,4,6]C[6])(C[4x3,4,6]C[3x3,4,6]C[6x3]H[3,3]H[3]H[4]H)(C[3x3,4,6]C[3,3,4,4,6]C[6x3]H[3,3]H[4]H)(H[3,3]C[3x3,4,6]H[3])(H[3]H[3,3])(H[4]H[4])(H)	H[3](C[4x3,4,6]C[3x3,4,6]C[4x3,4,6]C[6x3]H[3,3]H[4]H)(H[3,3]C[3x3,4,6]C[4x3,4,6])	C[4x3,4,6](C[6x3]C[3,3,4,4,6]2C[3x3,4,6]2C[4x3,4,6]C[6])(C[4x3,4,6]C[3x3,4,6]C[6x3]H[3,3]H[3]H[4]H)(C[3x3,4,6]C[3,3,4,4,6]C[6x3]H[3,3]H[4]H)(H[3,3]C[3x3,4,6]H[3])(H[3]H[3,3])(H[4]H[4])(H){2|C<3>,3|H<1>,5|H<2>}	C[4x3,4,6](C[6x3]C[3,3,4,4,6]2C[3x3,4,6]2C[4x3,4,6]C[6])(C[4x3,4,6]C[3x3,4,6]C[6x3]H[3,3]H[3]H[4]H)(C[3x3,4,6]C[3,3,4,4,6]C[6x3]H[3,3]H[4]H)(H[3,3]C[3x3,4,6]H[3])(H[3]H[3,3])(H[4]H[4])(H){2|C<3>,3|H<1>,5|H<2>}	H[3](C[4x3,4,6]C[3x3,4,6]C[4x3,4,6]C[6x3]H[3,3]H[4]H)(H[3,3]C[3x3,4,6]C[4x3,4,6])	159.5680	2.679	2	159.5680	7.174	2	159.5680	7.174	2	159.5680	7.174	2	159.5680	7.174	2	97.2089	1874.651	70
238	238	968	0:SPD7_SP-NON_SPD7	C[4x3,4,6]	C[5x3,6]	H[3]	7:6:7:2:2:2:1:	7:7:7:2:2:2:1:	7:7:	N[6x3]-7:C[3,3,4,6]-6:C[5x3,6]-7:H[3]-2:H[3]-2:H[4]-2:H-1:	N[6x3]-7:C[4x3,4,6]-7:C[3x3,6]-7:H[3]-2:H[3]-2:H[3]-2:H-1:	C[4x3,4,6]-7:C[5x3,6]-7:	C[4x3,4,6](N[6x3]C[3,3,4,6]C[3x3,6]C[4x3,6]2C[5x3,6]Ru)(C[3,3,4,6]C[4x3,6]N[6x3]H[4]HH)(C[5x3,6]C[3x3,6]N[6x3]H[3]3H)(H[3]C[5x3,6])2(H[4]H[4])(H)	C[5x3,6](N[6x3]C[3,3,4,6]C[4x3,4,6]C[3x3,6]C[4x3,6]2Ru)(C[4x3,4,6]C[3,3,4,6]N[6x3]H[3]2H[4]H)(C[3x3,6]C[4x3,6]N[6x3]H[3]H3)(H[3]C[4x3,4,6])2(H[3]C[3x3,6])(H)	H[3](C[4x3,4,6]C[3,3,4,6]C[5x3,6]N[6x3]H[3]H[4]H)(C[5x3,6]C[4x3,4,6]C[3x3,6]N[6x3]H[3]2H)	C[4x3,4,6](N[6x3]C[3,3,4,6]C[3x3,6]C[4x3,6]2C[5x3,6]Ru)(C[3,3,4,6]C[4x3,6]N[6x3]H[4]HH)(C[5x3,6]C[3x3,6]N[6x3]H[3]3H)(H[3]C[5x3,6])2(H[4]H[4])(H){2|H<2>,7|H<1>}	C[5x3,6](N[6x3]C[3,3,4,6]C[4x3,4,6]C[3x3,6]C[4x3,6]2Ru)(C[4x3,4,6]C[3,3,4,6]N[6x3]H[3]2H[4]H)(C[3x3,6]C[4x3,6]N[6x3]H[3]H3)(H[3]C[4x3,4,6])2(H[3]C[3x3,6])(H){3|H<2>,6|H<1>}	H[3](C[4x3,4,6]C[3,3,4,6]C[5x3,6]N[6x3]H[3]H[4]H)(C[5x3,6]C[4x3,4,6]C[3x3,6]N[6x3]H[3]2H)	51.9440	8.572	2	51.9440	73.484	2	51.9440	73.484	2	51.9440	73.484	2	51.9440	73.484	2	97.2089	1874.651	70
238	238	968	0:SPD7_SP-NON_SPD7	C[4x3,4,6]	C[6x3]	H[3]	7:7:6:3:2:2:1:	7:7:6:6:6:6:3:	7:3:	C[6x3]-7:C[4x3,4,6]-7:C[3x3,4,6]-6:H[3,3]-3:H[3]-2:H[4]-2:H-1:	C[4x3,4,6]-7:C[4x3,4,6]-7:C[3x3,4,6]-6:C[3x3,4,6]-6:C[3,3,4,4,6]-6:C[3,3,4,4,6]-6:C[6]-3:	C[4x3,4,6]-7:H[3,3]-3:	C[4x3,4,6](C[6x3]C[3,3,4,4,6]2C[3x3,4,6]2C[4x3,4,6]C[6])(C[4x3,4,6]C[3x3,4,6]C[6x3]H[3,3]H[3]H[4]H)(C[3x3,4,6]C[3,3,4,4,6]C[6x3]H[3,3]H[4]H)(H[3,3]C[3x3,4,6]H[3])(H[3]H[3,3])(H[4]H[4])(H)	C[6x3](C[4x3,4,6]C[3x3,4,6]C[4x3,4,6]H[3,3]H[3]H[4]H)2(C[3x3,4,6]C[3,3,4,4,6]C[4x3,4,6]H[3,3]H[4]H)2(C[3,3,4,4,6]C[3,3,4,4,6]C[3x3,4,6]H[4]2H)2(C[6]C[6]2)	H[3](C[4x3,4,6]C[3x3,4,6]C[4x3,4,6]C[6x3]H[3,3]H[4]H)(H[3,3]C[3x3,4,6]C[4x3,4,6])	C[4x3,4,6](C[6x3]C[3,3,4,4,6]2C[3x3,4,6]2C[4x3,4,6]C[6])(C[4x3,4,6]C[3x3,4,6]C[6x3]H[3,3]H[3]H[4]H)(C[3x3,4,6]C[3,3,4,4,6]C[6x3]H[3,3]H[4]H)(H[3,3]C[3x3,4,6]H[3])(H[3]H[3,3])(H[4]H[4])(H){2|C<3>,3|H<1>,5|H<2>}	C[6x3](C[4x3,4,6]C[3x3,4,6]C[4x3,4,6]H[3,3]H[3]H[4]H)2(C[3x3,4,6]C[3,3,4,4,6]C[4x3,4,6]H[3,3]H[4]H)2(C[3,3,4,4,6]C[3,3,4,4,6]C[3x3,4,6]H[4]2H)2(C[6]C[6]2){2|C<3>,2|H<1>}	H[3](C[4x3,4,6]C[3x3,4,6]C[4x3,4,6]C[6x3]H[3,3]H[4]H)(H[3,3]C[3x3,4,6]C[4x3,4,6])	109.4625	0.026	2	109.4625	0.001	2	109.4625	0.001	2	109.4625	0.001	2	109.4625	0.001	2	97.2089	1874.651	70
238	238	968	0:SPD7_SP-NON_SPD7	C[4x3,6]	C[3x3,6]	H[3]	7:7:7:2:2:1:1:	7:7:6:2:1:1:1:	7:7:	C[6x3]-7:C[4x3,6]-7:C[3x3,6]-7:H[3]-2:H[3]-2:H-1:H-1:	C[6x3]-7:C[4x3,6]-7:C[4x3,6]-6:H[3]-2:H-1:H-1:H-1:	C[4x3,6]-7:C[4x3,6]-7:	C[4x3,6](C[6x3]C[3x3,6]2C[4x3,6]2C[5x3,6]C[6a])(C[4x3,6]C[3x3,6]C[6x3]H[3]2HH)(C[3x3,6]C[4x3,6]C[6x3]H[3]H3)(H[3]C[4x3,6])2(H)2	C[3x3,6](C[6x3]C[3x3,6]C[4x3,6]3C[5x3,6]C[6a])(C[4x3,6]C[4x3,6]C[6x3]H[3]2HH)(C[4x3,6]C[5x3,6]C[6x3]H[3]2H)(H[3]C[4x3,6])(H)3	H[3](C[4x3,6]C[3x3,6]C[4x3,6]C[6x3]H[3]HH)2	C[4x3,6](C[6x3]C[3x3,6]2C[4x3,6]2C[5x3,6]C[6a])(C[4x3,6]C[3x3,6]C[6x3]H[3]2HH)(C[3x3,6]C[4x3,6]C[6x3]H[3]H3)(H[3]C[4x3,6])2(H)2{1|H<3>,2|C<3>,2|H<2>,5|H<1>}	C[3x3,6](C[6x3]C[3x3,6]C[4x3,6]3C[5x3,6]C[6a])(C[4x3,6]C[4x3,6]C[6x3]H[3]2HH)(C[4x3,6]C[5x3,6]C[6x3]H[3]2H)(H[3]C[4x3,6])(H)3{1|H<2>,1|H<3>,2|C<3>,6|H<1>}	H[3](C[4x3,6]C[3x3,6]C[4x3,6]C[6x3]H[3]HH)2	160.1350	0.260	2	160.1350	0.068	2	160.1350	0.068	2	160.1350	0.068	2	164.1438	41.451	4	97.2089	1874.651	70
238	238	968	0:SPD7_SP-NON_SPD7	C[4x3,6]	C[3x3,6]	H[3]	7:7:7:2:2:1:1:	7:7:7:2:1:1:1:	7:7:	N[6x3]-7:C[4x3,6]-7:C[3x3,6]-7:H[3]-2:H[3]-2:H-1:H-1:	N[6x3]-7:C[5x3,6]-7:C[4x3,6]-7:H[3]-2:H-1:H-1:H-1:	C[4x3,6]-7:C[4x3,6]-7:	C[4x3,6](N[6x3]C[3,3,4,6]C[4x3,4,6]C[3x3,6]C[4x3,6]C[5x3,6]Ru)(C[4x3,6]C[3,3,4,6]N[6x3]H[3]2HH)(C[3x3,6]C[5x3,6]N[6x3]H[3]H3)(H[3]C[4x3,6])2(H)2	C[3x3,6](N[6x3]C[3,3,4,6]C[4x3,4,6]C[4x3,6]2C[5x3,6]Ru)(C[5x3,6]C[4x3,4,6]N[6x3]H[3]3H)(C[4x3,6]C[4x3,6]N[6x3]H[3]2HH)(H[3]C[5x3,6])(H)3	H[3](C[4x3,6]C[3,3,4,6]C[4x3,6]N[6x3]H[3]HH)(C[4x3,6]C[3x3,6]C[4x3,6]N[6x3]H[3]HH)	C[4x3,6](N[6x3]C[3,3,4,6]C[4x3,4,6]C[3x3,6]C[4x3,6]C[5x3,6]Ru)(C[4x3,6]C[3,3,4,6]N[6x3]H[3]2HH)(C[3x3,6]C[5x3,6]N[6x3]H[3]H3)(H[3]C[4x3,6])2(H)2{4|H<1>,4|H<2>}	C[3x3,6](N[6x3]C[3,3,4,6]C[4x3,4,6]C[4x3,6]2C[5x3,6]Ru)(C[5x3,6]C[4x3,4,6]N[6x3]H[3]3H)(C[4x3,6]C[4x3,6]N[6x3]H[3]2HH)(H[3]C[5x3,6])(H)3{2|H<2>,5|H<1>}	H[3](C[4x3,6]C[3,3,4,6]C[4x3,6]N[6x3]H[3]HH)(C[4x3,6]C[3x3,6]C[4x3,6]N[6x3]H[3]HH)	168.1525	7.746	2	168.1525	60.006	2	168.1525	60.006	2	168.1525	60.006	2	164.1438	41.451	4	97.2089	1874.651	70
238	238	968	0:SPD7_SP-NON_SPD7	C[4x3,6]	C[4x3,6]	H[3]	7:6:7:2:2:1:1:	7:7:7:2:2:1:1:	7:7:	C[6x3]-7:C[3x3,6]-6:C[4x3,6]-7:H[3]-2:H[3]-2:H-1:H-1:	C[6x3]-7:C[4x3,6]-7:C[3x3,6]-7:H[3]-2:H[3]-2:H-1:H-1:	C[4x3,6]-7:C[4x3,6]-7:	C[4x3,6](C[6x3]C[3x3,6]2C[4x3,6]2C[5x3,6]C[6a])(C[3x3,6]C[5x3,6]C[6x3]H[3,3]HH)(C[4x3,6]C[3x3,6]C[6x3]H[3]2HH)(H[3]C[4x3,6])2(H)2	C[4x3,6](C[6x3]C[3x3,6]2C[4x3,6]2C[5x3,6]C[6a])(C[4x3,6]C[3x3,6]C[6x3]H[3]2HH)(C[3x3,6]C[4x3,6]C[6x3]H[3]H3)(H[3]C[4x3,6])2(H)2	H[3](C[4x3,6]C[3x3,6]C[4x3,6]C[6x3]H[3]HH)2	C[4x3,6](C[6x3]C[3x3,6]2C[4x3,6]2C[5x3,6]C[6a])(C[3x3,6]C[5x3,6]C[6x3]H[3,3]HH)(C[4x3,6]C[3x3,6]C[6x3]H[3]2HH)(H[3]C[4x3,6])2(H)2{2|C<3>,3|H<2>,6|H<1>}	C[4x3,6](C[6x3]C[3x3,6]2C[4x3,6]2C[5x3,6]C[6a])(C[4x3,6]C[3x3,6]C[6x3]H[3]2HH)(C[3x3,6]C[4x3,6]C[6x3]H[3]H3)(H[3]C[4x3,6])2(H)2{1|H<3>,2|C<3>,2|H<2>,5|H<1>}	H[3](C[4x3,6]C[3x3,6]C[4x3,6]C[6x3]H[3]HH)2	61.1679	4.572	2	61.1679	20.907	2	61.1679	20.907	2	56.6160	35.436	4	57.3985	24.077	8	97.2089	1874.651	70
238	238	968	0:SPD7_SP-NON_SPD7	C[4x3,6]	C[4x3,6]	H[3]	7:6:7:2:2:1:1:	7:7:7:2:2:1:1:	7:7:	N[6x3]-7:C[3,3,4,6]-6:C[4x3,6]-7:H[3]-2:H[3]-2:H-1:H-1:	N[6x3]-7:C[4x3,6]-7:C[3x3,6]-7:H[3]-2:H[3]-2:H-1:H-1:	C[4x3,6]-7:C[4x3,6]-7:	C[4x3,6](N[6x3]C[3,3,4,6]C[4x3,4,6]C[3x3,6]C[4x3,6]C[5x3,6]Ru)(C[3,3,4,6]C[4x3,4,6]N[6x3]H[4]HH)(C[4x3,6]C[3x3,6]N[6x3]H[3]2HH)(H[3]C[4x3,6])2(H)2	C[4x3,6](N[6x3]C[3,3,4,6]C[4x3,4,6]C[3x3,6]C[4x3,6]C[5x3,6]Ru)(C[4x3,6]C[3,3,4,6]N[6x3]H[3]2HH)(C[3x3,6]C[5x3,6]N[6x3]H[3]H3)(H[3]C[4x3,6])2(H)2	H[3](C[4x3,6]C[3,3,4,6]C[4x3,6]N[6x3]H[3]HH)(C[4x3,6]C[3x3,6]C[4x3,6]N[6x3]H[3]HH)	C[4x3,6](N[6x3]C[3,3,4,6]C[4x3,4,6]C[3x3,6]C[4x3,6]C[5x3,6]Ru)(C[3,3,4,6]C[4x3,4,6]N[6x3]H[4]HH)(C[4x3,6]C[3x3,6]N[6x3]H[3]2HH)(H[3]C[4x3,6])2(H)2{4|H<2>,5|H<1>}	C[4x3,6](N[6x3]C[3,3,4,6]C[4x3,4,6]C[3x3,6]C[4x3,6]C[5x3,6]Ru)(C[4x3,6]C[3,3,4,6]N[6x3]H[3]2HH)(C[3x3,6]C[5x3,6]N[6x3]H[3]H3)(H[3]C[4x3,6])2(H)2{4|H<1>,4|H<2>}	H[3](C[4x3,6]C[3,3,4,6]C[4x3,6]N[6x3]H[3]HH)(C[4x3,6]C[3x3,6]C[4x3,6]N[6x3]H[3]HH)	52.0640	1.588	2	52.0640	2.522	2	52.0640	2.522	2	56.6160	35.436	4	57.3985	24.077	8	97.2089	1874.651	70
238	238	968	0:SPD7_SP-NON_SPD7	C[4x3,6]	C[4x3,6]	H[3]	7:7:7:2:2:1:1:	7:6:7:2:2:1:1:	7:7:	C[6x3]-7:C[4x3,6]-7:C[3x3,6]-7:H[3]-2:H[3]-2:H-1:H-1:	C[6x3]-7:C[3x3,6]-6:C[4x3,6]-7:H[3]-2:H[3]-2:H-1:H-1:	C[4x3,6]-7:C[4x3,6]-7:	C[4x3,6](C[6x3]C[3x3,6]2C[4x3,6]2C[5x3,6]C[6a])(C[4x3,6]C[3x3,6]C[6x3]H[3]2HH)(C[3x3,6]C[4x3,6]C[6x3]H[3]H3)(H[3]C[4x3,6])2(H)2	C[4x3,6](C[6x3]C[3x3,6]2C[4x3,6]2C[5x3,6]C[6a])(C[3x3,6]C[5x3,6]C[6x3]H[3,3]HH)(C[4x3,6]C[3x3,6]C[6x3]H[3]2HH)(H[3]C[4x3,6])2(H)2	H[3](C[4x3,6]C[3x3,6]C[4x3,6]C[6x3]H[3]HH)2	C[4x3,6](C[6x3]C[3x3,6]2C[4x3,6]2C[5x3,6]C[6a])(C[4x3,6]C[3x3,6]C[6x3]H[3]2HH)(C[3x3,6]C[4x3,6]C[6x3]H[3]H3)(H[3]C[4x3,6])2(H)2{1|H<3>,2|C<3>,2|H<2>,5|H<1>}	C[4x3,6](C[6x3]C[3x3,6]2C[4x3,6]2C[5x3,6]C[6a])(C[3x3,6]C[5x3,6]C[6x3]H[3,3]HH)(C[4x3,6]C[3x3,6]C[6x3]H[3]2HH)(H[3]C[4x3,6])2(H)2{2|C<3>,3|H<2>,6|H<1>}	H[3](C[4x3,6]C[3x3,6]C[4x3,6]C[6x3]H[3]HH)2	56.4256	5.762	2	56.4256	33.198	2	56.4256	33.198	2	58.1811	19.110	4	57.3985	24.077	8	97.2089	1874.651	70
238	238	968	0:SPD7_SP-NON_SPD7	C[4x3,6]	C[4x3,6]	H[3]	7:7:7:2:2:1:1:	7:6:7:2:2:1:1:	7:7:	N[6x3]-7:C[4x3,6]-7:C[3x3,6]-7:H[3]-2:H[3]-2:H-1:H-1:	N[6x3]-7:C[3,3,4,6]-6:C[4x3,6]-7:H[3]-2:H[3]-2:H-1:H-1:	C[4x3,6]-7:C[4x3,6]-7:	C[4x3,6](N[6x3]C[3,3,4,6]C[4x3,4,6]C[3x3,6]C[4x3,6]C[5x3,6]Ru)(C[4x3,6]C[3,3,4,6]N[6x3]H[3]2HH)(C[3x3,6]C[5x3,6]N[6x3]H[3]H3)(H[3]C[4x3,6])2(H)2	C[4x3,6](N[6x3]C[3,3,4,6]C[4x3,4,6]C[3x3,6]C[4x3,6]C[5x3,6]Ru)(C[3,3,4,6]C[4x3,4,6]N[6x3]H[4]HH)(C[4x3,6]C[3x3,6]N[6x3]H[3]2HH)(H[3]C[4x3,6])2(H)2	H[3](C[4x3,6]C[3,3,4,6]C[4x3,6]N[6x3]H[3]HH)(C[4x3,6]C[3x3,6]C[4x3,6]N[6x3]H[3]HH)	C[4x3,6](N[6x3]C[3,3,4,6]C[4x3,4,6]C[3x3,6]C[4x3,6]C[5x3,6]Ru)(C[4x3,6]C[3,3,4,6]N[6x3]H[3]2HH)(C[3x3,6]C[5x3,6]N[6x3]H[3]H3)(H[3]C[4x3,6])2(H)2{4|H<1>,4|H<2>}	C[4x3,6](N[6x3]C[3,3,4,6]C[4x3,4,6]C[3x3,6]C[4x3,6]C[5x3,6]Ru)(C[3,3,4,6]C[4x3,4,6]N[6x3]H[4]HH)(C[4x3,6]C[3x3,6]N[6x3]H[3]2HH)(H[3]C[4x3,6])2(H)2{4|H<2>,5|H<1>}	H[3](C[4x3,6]C[3,3,4,6]C[4x3,6]N[6x3]H[3]HH)(C[4x3,6]C[3x3,6]C[4x3,6]N[6x3]H[3]HH)	59.9365	3.436	2	59.9365	11.805	2	59.9365	11.805	2	58.1811	19.110	4	57.3985	24.077	8	97.2089	1874.651	70
238	238	968	0:SPD7_SP-NON_SPD7	C[4x3,6]	C[6x3]	H[3]	7:6:7:2:2:1:1:	8:6:7:7:6:7:3:	7:7:	C[6x3]-7:C[3x3,6]-6:C[4x3,6]-7:H[3]-2:H[3]-2:H-1:H-1:	C[5x3,6]-8:C[3x3,6]-6:C[4x3,6]-7:C[4x3,6]-7:C[4x3,6]-6:C[3x3,6]-7:C[6a]-3:	C[4x3,6]-7:C[4x3,6]-7:	C[4x3,6](C[6x3]C[3x3,6]2C[4x3,6]2C[5x3,6]C[6a])(C[3x3,6]C[5x3,6]C[6x3]H[3,3]HH)(C[4x3,6]C[3x3,6]C[6x3]H[3]2HH)(H[3]C[4x3,6])2(H)2	C[6x3](C[5x3,6]C[3x3,6]C[4x3,6]H[3,3]H[3]2HH)(C[3x3,6]C[4x3,6]C[5x3,6]H[3,3]HH)(C[4x3,6]C[3x3,6]C[4x3,6]H[3]2HH)2(C[4x3,6]C[3x3,6]C[5x3,6]H[3]2H)(C[3x3,6]C[4x3,6]2H[3]H3)(C[6a]C[6a]2)	H[3](C[4x3,6]C[3x3,6]C[4x3,6]C[6x3]H[3]HH)2	C[4x3,6](C[6x3]C[3x3,6]2C[4x3,6]2C[5x3,6]C[6a])(C[3x3,6]C[5x3,6]C[6x3]H[3,3]HH)(C[4x3,6]C[3x3,6]C[6x3]H[3]2HH)(H[3]C[4x3,6])2(H)2{2|C<3>,3|H<2>,6|H<1>}	C[6x3](C[5x3,6]C[3x3,6]C[4x3,6]H[3,3]H[3]2HH)(C[3x3,6]C[4x3,6]C[5x3,6]H[3,3]HH)(C[4x3,6]C[3x3,6]C[4x3,6]H[3]2HH)2(C[4x3,6]C[3x3,6]C[5x3,6]H[3]2H)(C[3x3,6]C[4x3,6]2H[3]H3)(C[6a]C[6a]2){2|C<3>,2|H<1>}	H[3](C[4x3,6]C[3x3,6]C[4x3,6]C[6x3]H[3]HH)2	108.6525	0.938	2	108.6525	0.880	2	108.6525	0.880	2	108.6525	0.880	2	111.9680	37.683	4	97.2089	1874.651	70
238	238	968	0:SPD7_SP-NON_SPD7	C[4x3,6]	C[6x3]	H[3]	7:7:7:2:2:1:1:	8:6:7:7:6:7:3:	7:7:	C[6x3]-7:C[4x3,6]-7:C[3x3,6]-7:H[3]-2:H[3]-2:H-1:H-1:	C[5x3,6]-8:C[3x3,6]-6:C[4x3,6]-7:C[4x3,6]-7:C[4x3,6]-6:C[3x3,6]-7:C[6a]-3:	C[4x3,6]-7:C[4x3,6]-7:	C[4x3,6](C[6x3]C[3x3,6]2C[4x3,6]2C[5x3,6]C[6a])(C[4x3,6]C[3x3,6]C[6x3]H[3]2HH)(C[3x3,6]C[4x3,6]C[6x3]H[3]H3)(H[3]C[4x3,6])2(H)2	C[6x3](C[5x3,6]C[3x3,6]C[4x3,6]H[3,3]H[3]2HH)(C[3x3,6]C[4x3,6]C[5x3,6]H[3,3]HH)(C[4x3,6]C[3x3,6]C[4x3,6]H[3]2HH)2(C[4x3,6]C[3x3,6]C[5x3,6]H[3]2H)(C[3x3,6]C[4x3,6]2H[3]H3)(C[6a]C[6a]2)	H[3](C[4x3,6]C[3x3,6]C[4x3,6]C[6x3]H[3]HH)2	C[4x3,6](C[6x3]C[3x3,6]2C[4x3,6]2C[5x3,6]C[6a])(C[4x3,6]C[3x3,6]C[6x3]H[3]2HH)(C[3x3,6]C[4x3,6]C[6x3]H[3]H3)(H[3]C[4x3,6])2(H)2{1|H<3>,2|C<3>,2|H<2>,5|H<1>}	C[6x3](C[5x3,6]C[3x3,6]C[4x3,6]H[3,3]H[3]2HH)(C[3x3,6]C[4x3,6]C[5x3,6]H[3,3]HH)(C[4x3,6]C[3x3,6]C[4x3,6]H[3]2HH)2(C[4x3,6]C[3x3,6]C[5x3,6]H[3]2H)(C[3x3,6]C[4x3,6]2H[3]H3)(C[6a]C[6a]2){2|C<3>,2|H<1>}	H[3](C[4x3,6]C[3x3,6]C[4x3,6]C[6x3]H[3]HH)2	115.2835	8.258	2	115.2835	68.200	2	115.2835	68.200	2	115.2835	68.200	2	111.9680	37.683	4	97.2089	1874.651	70
238	238	968	0:SPD7_SP-NON_SPD7	C[4x3]	C[3,3,3x4]	H[3]	7:7:7:2:2:1:1:	7:7:3:2:2:1:1:	7:7:	C[4x3,4,4]-7:C[3,3,3x4]-7:C[4x3]-7:H[3]-2:H[3]-2:H-1:H-1:	C[4x3,4,4]-7:C[4x3]-7:H[3,4,4]-3:H[3]-2:H[4,4]-2:H-1:H-1:	C[4x3]-7:C[4x3]-7:	C[4x3](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]C[5x3]C[6a])(C[3,3,3x4]C[4x3,4,4]H[3,4,4]H[4,4]H[3]HH)(C[4x3]C[4x3,4,4]C[5x3]H[3]2HH)(H[3]C[4x3])2(H)2	C[3,3,3x4](C[4x3,4,4]C[3x3]C[3x4]C[4x3]2C[5x3]C[6a])(C[4x3]C[4x3,4,4]C[4x3]H[3]2HH)(H[3,4,4]C[3x4]H[3])(H[3]H[3,4,4])(H[4,4]C[3x4])(H)2	H[3](C[4x3]C[3,3,3x4]C[4x3,4,4]C[4x3]H[3]HH)(C[4x3]C[4x3,4,4]C[4x3]C[5x3]H[3]HH)	C[4x3](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]C[5x3]C[6a])(C[3,3,3x4]C[4x3,4,4]H[3,4,4]H[4,4]H[3]HH)(C[4x3]C[4x3,4,4]C[5x3]H[3]2HH)(H[3]C[4x3])2(H)2{1|H<3>,2|C<3>,2|H<2>,4|H<1>}	C[3,3,3x4](C[4x3,4,4]C[3x3]C[3x4]C[4x3]2C[5x3]C[6a])(C[4x3]C[4x3,4,4]C[4x3]H[3]2HH)(H[3,4,4]C[3x4]H[3])(H[3]H[3,4,4])(H[4,4]C[3x4])(H)2{1|H<3>,2|C<3>,2|H<2>,6|H<1>}	H[3](C[4x3]C[3,3,3x4]C[4x3,4,4]C[4x3]H[3]HH)(C[4x3]C[4x3,4,4]C[4x3]C[5x3]H[3]HH)	159.2545	6.991	2	159.2545	48.876	2	159.2545	48.876	2	159.2545	48.876	2	159.2545	48.876	2	97.2089	1874.651	70
238	238	968	0:SPD7_SP-NON_SPD7	C[4x3]	C[3x3,3x4]	H[3]	7:7:6:2:2:1:1:	6:7:7:5:6:6:3:	7:6:	C[3x3,3x4]-7:C[4x3]-7:C[3x3]-6:H[3]-2:H[3]-2:H-1:H-1:	C[3,6x4]-6:C[4x3]-7:C[4x3]-7:C[6x4]-5:C[3x3]-6:C[3x3]-6:C[6a]-3:	C[4x3]-7:C[3x3]-6:	C[4x3](C[3x3,3x4]C[3,6x4]C[3x3]2C[4x3]C[6x4]C[6a])(C[4x3]C[3x3,3x4]C[3x3]H[3]2HH)(C[3x3]C[3x3,3x4]H[3]2HH)(H[3]C[3x3])2(H)2	C[3x3,3x4](C[3,6x4]H[3,3x4]H[3x4]2H[3]H)(C[4x3]C[3x3]C[4x3]H[3]2HH)2(C[6x4]H[3,3x4]H[3x4]2H)(C[3x3]C[4x3]H[3]2HH)2(C[6a]C[6a]2)	H[3](C[4x3]C[3x3,3x4]C[3x3]C[4x3]H[3]HH)(C[3x3]C[3x3,3x4]C[4x3]H[3]HH)	C[4x3](C[3x3,3x4]C[3,6x4]C[3x3]2C[4x3]C[6x4]C[6a])(C[4x3]C[3x3,3x4]C[3x3]H[3]2HH)(C[3x3]C[3x3,3x4]H[3]2HH)(H[3]C[3x3])2(H)2{1|H<3>,2|C<3>,3|H<2>,4|H<1>}	C[3x3,3x4](C[3,6x4]H[3,3x4]H[3x4]2H[3]H)(C[4x3]C[3x3]C[4x3]H[3]2HH)2(C[6x4]H[3,3x4]H[3x4]2H)(C[3x3]C[4x3]H[3]2HH)2(C[6a]C[6a]2){2|C<3>,2|H<1>}	H[3](C[4x3]C[3x3,3x4]C[3x3]C[4x3]H[3]HH)(C[3x3]C[3x3,3x4]C[4x3]H[3]HH)	107.7490	3.380	3	107.7490	11.425	3	107.7490	11.425	3	107.7490	11.425	3	107.7490	11.425	3	97.2089	1874.651	70
238	238	968	0:SPD7_SP-NON_SPD7	C[4x3]	C[3x3]	H[3]	7:7:2:2:2:1:1:	7:7:3:2:2:1:1:	7:7:	C[3x3]-7:C[4x3]-7:H[3]-2:H[3]-2:H[3]-2:H-1:H-1:	C[4x3]-7:C[4x3]-7:C[6a]-3:H[3]-2:H[3]-2:H-1:H-1:	C[4x3]-7:C[3x3]-7:	C[4x3](C[3x3]C[4x3]C[6a]H[3]2HH)(C[4x3]C[3x3]H[3]3HH)(H[3]C[3x3])(H[3]C[4x3])2(H)2	C[3x3](C[4x3]C[4x3]H[3]3HH)2(C[6a]C[6a]2)(H[3]C[4x3])2(H)2	H[3](C[4x3]C[3x3]C[4x3]H[3]2HH)(C[3x3]C[4x3]2C[6a]H[3]HH)	C[4x3](C[3x3]C[4x3]C[6a]H[3]2HH)(C[4x3]C[3x3]H[3]3HH)(H[3]C[3x3])(H[3]C[4x3])2(H)2{2|C<3>}	C[3x3](C[4x3]C[4x3]H[3]3HH)2(C[6a]C[6a]2)(H[3]C[4x3])2(H)2{1|H<1>,3|C<3>}	H[3](C[4x3]C[3x3]C[4x3]H[3]2HH)(C[3x3]C[4x3]2C[6a]H[3]HH)	54.0318	2.889	2	54.0318	8.349	2	54.0318	8.349	2	86.5286	650.405	6	86.5286	650.405	6	97.2089	1874.651	70
238	238	968	0:SPD7_SP-NON_SPD7	C[4x3]	C[3x3]	H[3]	7:7:2:2:2:1:1:	7:7:3:2:2:1:1:	7:7:	C[3x3]-7:C[4x3]-7:H[3]-2:H[3]-2:H[3]-2:H-1:H-1:	C[4x3]-7:C[4x3]-7:C[6a]-3:H[3]-2:H[3]-2:H-1:H-1:	C[4x3]-7:C[4x3]-7:	C[4x3](C[3x3]C[4x3]C[6a]H[3]2HH)(C[4x3]C[3x3]H[3]3HH)(H[3]C[3x3])(H[3]C[4x3])2(H)2	C[3x3](C[4x3]C[4x3]H[3]3HH)2(C[6a]C[6a]2)(H[3]C[4x3])2(H)2	H[3](C[4x3]C[3x3]C[4x3]H[3]2HH)2	C[4x3](C[3x3]C[4x3]C[6a]H[3]2HH)(C[4x3]C[3x3]H[3]3HH)(H[3]C[3x3])(H[3]C[4x3])2(H)2{2|C<3>}	C[3x3](C[4x3]C[4x3]H[3]3HH)2(C[6a]C[6a]2)(H[3]C[4x3])2(H)2{1|H<1>,3|C<3>}	H[3](C[4x3]C[3x3]C[4x3]H[3]2HH)2	102.7770	5.018	4	102.7770	25.185	4	102.7770	25.185	4	86.5286	650.405	6	86.5286	650.405	6	97.2089	1874.651	70
238	238	968	0:SPD7_SP-NON_SPD7	C[4x3]	C[4x3,4,4]	H[3]	7:7:7:2:2:1:1:	7:8:7:7:5:4:3:	7:7:	C[4x3,4,4]-7:C[3,3,3x4]-7:C[4x3]-7:H[3]-2:H[3]-2:H-1:H-1:	C[3,3,3x4]-7:C[5x3]-8:C[4x3]-7:C[4x3]-7:C[3x3]-5:C[3x4]-4:C[6a]-3:	C[4x3]-7:C[4x3]-7:	C[4x3](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]C[5x3]C[6a])(C[3,3,3x4]C[4x3,4,4]H[3,4,4]H[4,4]H[3]HH)(C[4x3]C[4x3,4,4]C[5x3]H[3]2HH)(H[3]C[4x3])2(H)2	C[4x3,4,4](C[3,3,3x4]H[3,4,4]C[4x3]H[4,4]H[3]HH)(C[5x3]C[3x3]C[4x3]H[3,3]H[3]2HH)(C[4x3]C[3,3,3x4]C[4x3]H[3]2HH)(C[4x3]C[4x3]C[5x3]H[3]2HH)(C[3x3]C[5x3]H[3,3]H[3]H)(C[3x4]H[3,4,4]H[4,4]H)(C[6a]C[6a]2)	H[3](C[4x3]C[3,3,3x4]C[4x3,4,4]C[4x3]H[3]HH)(C[4x3]C[4x3,4,4]C[4x3]C[5x3]H[3]HH)	C[4x3](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]C[5x3]C[6a])(C[3,3,3x4]C[4x3,4,4]H[3,4,4]H[4,4]H[3]HH)(C[4x3]C[4x3,4,4]C[5x3]H[3]2HH)(H[3]C[4x3])2(H)2{1|H<3>,2|C<3>,2|H<2>,4|H<1>}	C[4x3,4,4](C[3,3,3x4]H[3,4,4]C[4x3]H[4,4]H[3]HH)(C[5x3]C[3x3]C[4x3]H[3,3]H[3]2HH)(C[4x3]C[3,3,3x4]C[4x3]H[3]2HH)(C[4x3]C[4x3]C[5x3]H[3]2HH)(C[3x3]C[5x3]H[3,3]H[3]H)(C[3x4]H[3,4,4]H[4,4]H)(C[6a]C[6a]2){2|C<3>,2|H<1>}	H[3](C[4x3]C[3,3,3x4]C[4x3,4,4]C[4x3]H[3]HH)(C[4x3]C[4x3,4,4]C[4x3]C[5x3]H[3]HH)	99.5898	0.000	1	99.5898	0.000	1	99.5898	0.000	1	99.5898	0.000	1	105.1319	25.347	3	97.2089	1874.651	70
238	238	968	0:SPD7_SP-NON_SPD7	C[4x3]	C[4x3,4,4]	H[3]	7:8:7:2:2:1:1:	7:8:7:7:5:4:3:	7:7:	C[4x3,4,4]-7:C[5x3]-8:C[4x3]-7:H[3]-2:H[3]-2:H-1:H-1:	C[3,3,3x4]-7:C[5x3]-8:C[4x3]-7:C[4x3]-7:C[3x3]-5:C[3x4]-4:C[6a]-3:	C[4x3]-7:C[4x3]-7:	C[4x3](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]C[5x3]C[6a])(C[5x3]C[4x3,4,4]C[3x3]H[3,3]H[3]2HH)(C[4x3]C[3,3,3x4]C[4x3,4,4]H[3]2HH)(H[3]C[4x3])2(H)2	C[4x3,4,4](C[3,3,3x4]H[3,4,4]C[4x3]H[4,4]H[3]HH)(C[5x3]C[3x3]C[4x3]H[3,3]H[3]2HH)(C[4x3]C[3,3,3x4]C[4x3]H[3]2HH)(C[4x3]C[4x3]C[5x3]H[3]2HH)(C[3x3]C[5x3]H[3,3]H[3]H)(C[3x4]H[3,4,4]H[4,4]H)(C[6a]C[6a]2)	H[3](C[4x3]C[3,3,3x4]C[4x3,4,4]C[4x3]H[3]HH)(C[4x3]C[4x3,4,4]C[4x3]C[5x3]H[3]HH)	C[4x3](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]C[5x3]C[6a])(C[5x3]C[4x3,4,4]C[3x3]H[3,3]H[3]2HH)(C[4x3]C[3,3,3x4]C[4x3,4,4]H[3]2HH)(H[3]C[4x3])2(H)2{1|H<3>,2|C<3>,2|H<2>,4|H<1>}	C[4x3,4,4](C[3,3,3x4]H[3,4,4]C[4x3]H[4,4]H[3]HH)(C[5x3]C[3x3]C[4x3]H[3,3]H[3]2HH)(C[4x3]C[3,3,3x4]C[4x3]H[3]2HH)(C[4x3]C[4x3]C[5x3]H[3]2HH)(C[3x3]C[5x3]H[3,3]H[3]H)(C[3x4]H[3,4,4]H[4,4]H)(C[6a]C[6a]2){2|C<3>,2|H<1>}	H[3](C[4x3]C[3,3,3x4]C[4x3,4,4]C[4x3]H[3]HH)(C[4x3]C[4x3,4,4]C[4x3]C[5x3]H[3]HH)	107.9030	2.150	2	107.9030	4.621	2	107.9030	4.621	2	107.9030	4.621	2	105.1319	25.347	3	97.2089	1874.651	70
238	238	968	0:SPD7_SP-NON_SPD7	C[4x3]	C[4x3]	H[3]	7:2:2:2:2:2:1:	7:2:2:2:2:2:1:	7:7:	C[4x3]-7:H[3]-2:H[3]-2:H[3]-2:H[3]-2:O-2:H-1:	C[4x3]-7:H[3]-2:H[3]-2:H[3]-2:H[3]-2:O-2:H-1:	C[4x3]-7:C[4x3]-7:	C[4x3](C[4x3]H[3]4HO)(H[3]C[4x3])4(OH)(H)	C[4x3](C[4x3]H[3]4HO)(H[3]C[4x3])4(OH)(H)	H[3](C[4x3]C[4x3]H[3]3HO)2	C[4x3](C[4x3]H[3]4HO)(H[3]C[4x3])4(OH)(H)	C[4x3](C[4x3]H[3]4HO)(H[3]C[4x3])4(OH)(H)	H[3](C[4x3]C[4x3]H[3]3HO)2	49.6750	6.659	4	49.6750	44.340	4	49.6750	44.340	4	49.6750	44.340	4	84.1192	2274.968	18	97.2089	1874.651	70
238	238	968	0:SPD7_SP-NON_SPD7	C[4x3]	C[4x3]	H[3]	7:7:2:2:2:1:1:	7:7:2:2:2:1:1:	7:7:	C[3x3]-7:C[4x3]-7:H[3]-2:H[3]-2:H[3]-2:H-1:H-1:	C[3x3]-7:C[4x3]-7:H[3]-2:H[3]-2:H[3]-2:H-1:H-1:	C[4x3]-7:C[3x3]-7:	C[4x3](C[3x3]C[4x3]C[6a]H[3]2HH)(C[4x3]C[3x3]H[3]3HH)(H[3]C[3x3])(H[3]C[4x3])2(H)2	C[4x3](C[3x3]C[4x3]C[6a]H[3]2HH)(C[4x3]C[3x3]H[3]3HH)(H[3]C[3x3])(H[3]C[4x3])2(H)2	H[3](C[4x3]C[3x3]C[4x3]H[3]2HH)(C[3x3]C[4x3]2C[6a]H[3]HH)	C[4x3](C[3x3]C[4x3]C[6a]H[3]2HH)(C[4x3]C[3x3]H[3]3HH)(H[3]C[3x3])(H[3]C[4x3])2(H)2{2|C<3>}	C[4x3](C[3x3]C[4x3]C[6a]H[3]2HH)(C[4x3]C[3x3]H[3]3HH)(H[3]C[3x3])(H[3]C[4x3])2(H)2{2|C<3>}	H[3](C[4x3]C[3x3]C[4x3]H[3]2HH)(C[3x3]C[4x3]2C[6a]H[3]HH)	114.0900	3.957	2	114.0900	15.658	2	114.0900	15.658	2	77.7210	822.788	6	84.1192	2274.968	18	97.2089	1874.651	70
238	238	968	0:SPD7_SP-NON_SPD7	C[4x3]	C[4x3]	H[3]	7:7:2:2:2:1:1:	7:7:2:2:2:1:1:	7:7:	C[3x3]-7:C[4x3]-7:H[3]-2:H[3]-2:H[3]-2:H-1:H-1:	C[3x3]-7:C[4x3]-7:H[3]-2:H[3]-2:H[3]-2:H-1:H-1:	C[4x3]-7:C[4x3]-7:	C[4x3](C[3x3]C[4x3]C[6a]H[3]2HH)(C[4x3]C[3x3]H[3]3HH)(H[3]C[3x3])(H[3]C[4x3])2(H)2	C[4x3](C[3x3]C[4x3]C[6a]H[3]2HH)(C[4x3]C[3x3]H[3]3HH)(H[3]C[3x3])(H[3]C[4x3])2(H)2	H[3](C[4x3]C[3x3]C[4x3]H[3]2HH)2	C[4x3](C[3x3]C[4x3]C[6a]H[3]2HH)(C[4x3]C[3x3]H[3]3HH)(H[3]C[3x3])(H[3]C[4x3])2(H)2{2|C<3>}	C[4x3](C[3x3]C[4x3]C[6a]H[3]2HH)(C[4x3]C[3x3]H[3]3HH)(H[3]C[3x3])(H[3]C[4x3])2(H)2{2|C<3>}	H[3](C[4x3]C[3x3]C[4x3]H[3]2HH)2	59.5364	6.587	4	59.5364	43.386	4	59.5364	43.386	4	77.7210	822.788	6	84.1192	2274.968	18	97.2089	1874.651	70
238	238	968	0:SPD7_SP-NON_SPD7	C[4x3]	C[4x3]	H[3]	7:7:6:2:2:1:1:	7:7:6:2:2:1:1:	7:6:	C[3x3,3x4]-7:C[4x3]-7:C[3x3]-6:H[3]-2:H[3]-2:H-1:H-1:	C[3x3,3x4]-7:C[4x3]-7:C[3x3]-6:H[3]-2:H[3]-2:H-1:H-1:	C[4x3]-7:C[3x3]-6:	C[4x3](C[3x3,3x4]C[3,6x4]C[3x3]2C[4x3]C[6x4]C[6a])(C[4x3]C[3x3,3x4]C[3x3]H[3]2HH)(C[3x3]C[3x3,3x4]H[3]2HH)(H[3]C[3x3])2(H)2	C[4x3](C[3x3,3x4]C[3,6x4]C[3x3]2C[4x3]C[6x4]C[6a])(C[4x3]C[3x3,3x4]C[3x3]H[3]2HH)(C[3x3]C[3x3,3x4]H[3]2HH)(H[3]C[3x3])2(H)2	H[3](C[4x3]C[3x3,3x4]C[3x3]C[4x3]H[3]HH)(C[3x3]C[3x3,3x4]C[4x3]H[3]HH)	C[4x3](C[3x3,3x4]C[3,6x4]C[3x3]2C[4x3]C[6x4]C[6a])(C[4x3]C[3x3,3x4]C[3x3]H[3]2HH)(C[3x3]C[3x3,3x4]H[3]2HH)(H[3]C[3x3])2(H)2{1|H<3>,2|C<3>,3|H<2>,4|H<1>}	C[4x3](C[3x3,3x4]C[3,6x4]C[3x3]2C[4x3]C[6x4]C[6a])(C[4x3]C[3x3,3x4]C[3x3]H[3]2HH)(C[3x3]C[3x3,3x4]H[3]2HH)(H[3]C[3x3])2(H)2{1|H<3>,2|C<3>,3|H<2>,4|H<1>}	H[3](C[4x3]C[3x3,3x4]C[3x3]C[4x3]H[3]HH)(C[3x3]C[3x3,3x4]C[4x3]H[3]HH)	162.4675	6.042	4	162.4675	36.500	4	162.4675	36.500	4	162.4675	36.500	4	84.1192	2274.968	18	97.2089	1874.651	70
238	238	968	0:SPD7_SP-NON_SPD7	C[4x3]	C[4x3]	H[3]	7:7:7:2:2:1:1:	7:8:7:2:2:1:1:	7:7:	C[4x3,4,4]-7:C[3,3,3x4]-7:C[4x3]-7:H[3]-2:H[3]-2:H-1:H-1:	C[4x3,4,4]-7:C[5x3]-8:C[4x3]-7:H[3]-2:H[3]-2:H-1:H-1:	C[4x3]-7:C[4x3]-7:	C[4x3](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]C[5x3]C[6a])(C[3,3,3x4]C[4x3,4,4]H[3,4,4]H[4,4]H[3]HH)(C[4x3]C[4x3,4,4]C[5x3]H[3]2HH)(H[3]C[4x3])2(H)2	C[4x3](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]C[5x3]C[6a])(C[5x3]C[4x3,4,4]C[3x3]H[3,3]H[3]2HH)(C[4x3]C[3,3,3x4]C[4x3,4,4]H[3]2HH)(H[3]C[4x3])2(H)2	H[3](C[4x3]C[3,3,3x4]C[4x3,4,4]C[4x3]H[3]HH)(C[4x3]C[4x3,4,4]C[4x3]C[5x3]H[3]HH)	C[4x3](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]C[5x3]C[6a])(C[3,3,3x4]C[4x3,4,4]H[3,4,4]H[4,4]H[3]HH)(C[4x3]C[4x3,4,4]C[5x3]H[3]2HH)(H[3]C[4x3])2(H)2{1|H<3>,2|C<3>,2|H<2>,4|H<1>}	C[4x3](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]C[5x3]C[6a])(C[5x3]C[4x3,4,4]C[3x3]H[3,3]H[3]2HH)(C[4x3]C[3,3,3x4]C[4x3,4,4]H[3]2HH)(H[3]C[4x3])2(H)2{1|H<3>,2|C<3>,2|H<2>,4|H<1>}	H[3](C[4x3]C[3,3,3x4]C[4x3,4,4]C[4x3]H[3]HH)(C[4x3]C[4x3,4,4]C[4x3]C[5x3]H[3]HH)	50.2407	6.068	2	50.2407	36.818	2	50.2407	36.818	2	50.2407	36.818	2	84.1192	2274.968	18	97.2089	1874.651	70
238	238	968	0:SPD7_SP-NON_SPD7	C[4x3]	C[4x3]	H[3]	7:8:7:2:2:1:1:	7:7:7:2:2:1:1:	7:7:	C[4x3,4,4]-7:C[5x3]-8:C[4x3]-7:H[3]-2:H[3]-2:H-1:H-1:	C[4x3,4,4]-7:C[3,3,3x4]-7:C[4x3]-7:H[3]-2:H[3]-2:H-1:H-1:	C[4x3]-7:C[4x3]-7:	C[4x3](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]C[5x3]C[6a])(C[5x3]C[4x3,4,4]C[3x3]H[3,3]H[3]2HH)(C[4x3]C[3,3,3x4]C[4x3,4,4]H[3]2HH)(H[3]C[4x3])2(H)2	C[4x3](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]C[5x3]C[6a])(C[3,3,3x4]C[4x3,4,4]H[3,4,4]H[4,4]H[3]HH)(C[4x3]C[4x3,4,4]C[5x3]H[3]2HH)(H[3]C[4x3])2(H)2	H[3](C[4x3]C[3,3,3x4]C[4x3,4,4]C[4x3]H[3]HH)(C[4x3]C[4x3,4,4]C[4x3]C[5x3]H[3]HH)	C[4x3](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]C[5x3]C[6a])(C[5x3]C[4x3,4,4]C[3x3]H[3,3]H[3]2HH)(C[4x3]C[3,3,3x4]C[4x3,4,4]H[3]2HH)(H[3]C[4x3])2(H)2{1|H<3>,2|C<3>,2|H<2>,4|H<1>}	C[4x3](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]C[5x3]C[6a])(C[3,3,3x4]C[4x3,4,4]H[3,4,4]H[4,4]H[3]HH)(C[4x3]C[4x3,4,4]C[5x3]H[3]2HH)(H[3]C[4x3])2(H)2{1|H<3>,2|C<3>,2|H<2>,4|H<1>}	H[3](C[4x3]C[3,3,3x4]C[4x3,4,4]C[4x3]H[3]HH)(C[4x3]C[4x3,4,4]C[4x3]C[5x3]H[3]HH)	49.3846	5.256	2	49.3846	27.624	2	49.3846	27.624	2	49.3846	27.624	2	84.1192	2274.968	18	97.2089	1874.651	70
238	238	968	0:SPD7_SP-NON_SPD7	C[5x3,6]	C[3x3,6]	H[3]	7:7:7:2:2:2:1:	7:7:7:2:1:1:1:	7:7:	N[6x3]-7:C[4x3,4,6]-7:C[3x3,6]-7:H[3]-2:H[3]-2:H[3]-2:H-1:	N[6x3]-7:C[5x3,6]-7:C[4x3,6]-7:H[3]-2:H-1:H-1:H-1:	C[4x3,4,6]-7:C[5x3,6]-7:	C[5x3,6](N[6x3]C[3,3,4,6]C[4x3,4,6]C[3x3,6]C[4x3,6]2Ru)(C[4x3,4,6]C[3,3,4,6]N[6x3]H[3]2H[4]H)(C[3x3,6]C[4x3,6]N[6x3]H[3]H3)(H[3]C[4x3,4,6])2(H[3]C[3x3,6])(H)	C[3x3,6](N[6x3]C[3,3,4,6]C[4x3,4,6]C[4x3,6]2C[5x3,6]Ru)(C[5x3,6]C[4x3,4,6]N[6x3]H[3]3H)(C[4x3,6]C[4x3,6]N[6x3]H[3]2HH)(H[3]C[5x3,6])(H)3	H[3](C[4x3,4,6]C[3,3,4,6]C[5x3,6]N[6x3]H[3]H[4]H)(C[5x3,6]C[4x3,4,6]C[3x3,6]N[6x3]H[3]2H)	C[5x3,6](N[6x3]C[3,3,4,6]C[4x3,4,6]C[3x3,6]C[4x3,6]2Ru)(C[4x3,4,6]C[3,3,4,6]N[6x3]H[3]2H[4]H)(C[3x3,6]C[4x3,6]N[6x3]H[3]H3)(H[3]C[4x3,4,6])2(H[3]C[3x3,6])(H){3|H<2>,6|H<1>}	C[3x3,6](N[6x3]C[3,3,4,6]C[4x3,4,6]C[4x3,6]2C[5x3,6]Ru)(C[5x3,6]C[4x3,4,6]N[6x3]H[3]3H)(C[4x3,6]C[4x3,6]N[6x3]H[3]2HH)(H[3]C[5x3,6])(H)3{2|H<2>,5|H<1>}	H[3](C[4x3,4,6]C[3,3,4,6]C[5x3,6]N[6x3]H[3]H[4]H)(C[5x3,6]C[4x3,4,6]C[3x3,6]N[6x3]H[3]2H)	166.6995	7.414	2	166.6995	54.968	2	166.6995	54.968	2	129.8482	4101.531	3	129.8482	4101.531	3	97.2089	1874.651	70
238	238	968	0:SPD7_SP-NON_SPD7	C[5x3,6]	C[3x3,6]	H[3]	7:7:7:2:2:2:1:	7:7:7:2:1:1:1:	7:7:	N[6x3]-7:C[4x3,4,6]-7:C[3x3,6]-7:H[3]-2:H[3]-2:H[3]-2:H-1:	N[6x3]-7:C[5x3,6]-7:C[4x3,6]-7:H[3]-2:H-1:H-1:H-1:	C[5x3,6]-7:C[3x3,6]-7:	C[5x3,6](N[6x3]C[3,3,4,6]C[4x3,4,6]C[3x3,6]C[4x3,6]2Ru)(C[4x3,4,6]C[3,3,4,6]N[6x3]H[3]2H[4]H)(C[3x3,6]C[4x3,6]N[6x3]H[3]H3)(H[3]C[4x3,4,6])2(H[3]C[3x3,6])(H)	C[3x3,6](N[6x3]C[3,3,4,6]C[4x3,4,6]C[4x3,6]2C[5x3,6]Ru)(C[5x3,6]C[4x3,4,6]N[6x3]H[3]3H)(C[4x3,6]C[4x3,6]N[6x3]H[3]2HH)(H[3]C[5x3,6])(H)3	H[3](C[5x3,6]C[4x3,4,6]C[3x3,6]N[6x3]H[3]2H)(C[3x3,6]C[4x3,6]C[5x3,6]N[6x3]H3)	C[5x3,6](N[6x3]C[3,3,4,6]C[4x3,4,6]C[3x3,6]C[4x3,6]2Ru)(C[4x3,4,6]C[3,3,4,6]N[6x3]H[3]2H[4]H)(C[3x3,6]C[4x3,6]N[6x3]H[3]H3)(H[3]C[4x3,4,6])2(H[3]C[3x3,6])(H){3|H<2>,6|H<1>}	C[3x3,6](N[6x3]C[3,3,4,6]C[4x3,4,6]C[4x3,6]2C[5x3,6]Ru)(C[5x3,6]C[4x3,4,6]N[6x3]H[3]3H)(C[4x3,6]C[4x3,6]N[6x3]H[3]2HH)(H[3]C[5x3,6])(H)3{2|H<2>,5|H<1>}	H[3](C[5x3,6]C[4x3,4,6]C[3x3,6]N[6x3]H[3]2H)(C[3x3,6]C[4x3,6]C[5x3,6]N[6x3]H3)	56.1457	0.000	1	56.1457	0.000	1	56.1457	0.000	1	129.8482	4101.531	3	129.8482	4101.531	3	97.2089	1874.651	70
238	238	968	0:SPD7_SP-NON_SPD7	C[5x3,6]	C[4x3,4,6]	H[3]	7:7:7:2:2:2:1:	7:6:7:2:2:2:1:	7:7:	N[6x3]-7:C[4x3,4,6]-7:C[3x3,6]-7:H[3]-2:H[3]-2:H[3]-2:H-1:	N[6x3]-7:C[3,3,4,6]-6:C[5x3,6]-7:H[3]-2:H[3]-2:H[4]-2:H-1:	C[4x3,4,6]-7:C[5x3,6]-7:	C[5x3,6](N[6x3]C[3,3,4,6]C[4x3,4,6]C[3x3,6]C[4x3,6]2Ru)(C[4x3,4,6]C[3,3,4,6]N[6x3]H[3]2H[4]H)(C[3x3,6]C[4x3,6]N[6x3]H[3]H3)(H[3]C[4x3,4,6])2(H[3]C[3x3,6])(H)	C[4x3,4,6](N[6x3]C[3,3,4,6]C[3x3,6]C[4x3,6]2C[5x3,6]Ru)(C[3,3,4,6]C[4x3,6]N[6x3]H[4]HH)(C[5x3,6]C[3x3,6]N[6x3]H[3]3H)(H[3]C[5x3,6])2(H[4]H[4])(H)	H[3](C[4x3,4,6]C[3,3,4,6]C[5x3,6]N[6x3]H[3]H[4]H)(C[5x3,6]C[4x3,4,6]C[3x3,6]N[6x3]H[3]2H)	C[5x3,6](N[6x3]C[3,3,4,6]C[4x3,4,6]C[3x3,6]C[4x3,6]2Ru)(C[4x3,4,6]C[3,3,4,6]N[6x3]H[3]2H[4]H)(C[3x3,6]C[4x3,6]N[6x3]H[3]H3)(H[3]C[4x3,4,6])2(H[3]C[3x3,6])(H){3|H<2>,6|H<1>}	C[4x3,4,6](N[6x3]C[3,3,4,6]C[3x3,6]C[4x3,6]2C[5x3,6]Ru)(C[3,3,4,6]C[4x3,6]N[6x3]H[4]HH)(C[5x3,6]C[3x3,6]N[6x3]H[3]3H)(H[3]C[5x3,6])2(H[4]H[4])(H){2|H<2>,7|H<1>}	H[3](C[4x3,4,6]C[3,3,4,6]C[5x3,6]N[6x3]H[3]H[4]H)(C[5x3,6]C[4x3,4,6]C[3x3,6]N[6x3]H[3]2H)	55.4952	11.389	2	55.4952	129.700	2	55.4952	129.700	2	92.7295	4224.018	3	92.7295	4224.018	3	97.2089	1874.651	70
238	238	968	0:SPD7_SP-NON_SPD7	C[5x3,6]	C[4x3,4,6]	H[3]	7:7:7:2:2:2:1:	7:6:7:2:2:2:1:	7:7:	N[6x3]-7:C[4x3,4,6]-7:C[3x3,6]-7:H[3]-2:H[3]-2:H[3]-2:H-1:	N[6x3]-7:C[3,3,4,6]-6:C[5x3,6]-7:H[3]-2:H[3]-2:H[4]-2:H-1:	C[5x3,6]-7:C[3x3,6]-7:	C[5x3,6](N[6x3]C[3,3,4,6]C[4x3,4,6]C[3x3,6]C[4x3,6]2Ru)(C[4x3,4,6]C[3,3,4,6]N[6x3]H[3]2H[4]H)(C[3x3,6]C[4x3,6]N[6x3]H[3]H3)(H[3]C[4x3,4,6])2(H[3]C[3x3,6])(H)	C[4x3,4,6](N[6x3]C[3,3,4,6]C[3x3,6]C[4x3,6]2C[5x3,6]Ru)(C[3,3,4,6]C[4x3,6]N[6x3]H[4]HH)(C[5x3,6]C[3x3,6]N[6x3]H[3]3H)(H[3]C[5x3,6])2(H[4]H[4])(H)	H[3](C[5x3,6]C[4x3,4,6]C[3x3,6]N[6x3]H[3]2H)(C[3x3,6]C[4x3,6]C[5x3,6]N[6x3]H3)	C[5x3,6](N[6x3]C[3,3,4,6]C[4x3,4,6]C[3x3,6]C[4x3,6]2Ru)(C[4x3,4,6]C[3,3,4,6]N[6x3]H[3]2H[4]H)(C[3x3,6]C[4x3,6]N[6x3]H[3]H3)(H[3]C[4x3,4,6])2(H[3]C[3x3,6])(H){3|H<2>,6|H<1>}	C[4x3,4,6](N[6x3]C[3,3,4,6]C[3x3,6]C[4x3,6]2C[5x3,6]Ru)(C[3,3,4,6]C[4x3,6]N[6x3]H[4]HH)(C[5x3,6]C[3x3,6]N[6x3]H[3]3H)(H[3]C[5x3,6])2(H[4]H[4])(H){2|H<2>,7|H<1>}	H[3](C[5x3,6]C[4x3,4,6]C[3x3,6]N[6x3]H[3]2H)(C[3x3,6]C[4x3,6]C[5x3,6]N[6x3]H3)	167.1980	0.000	1	167.1980	0.000	1	167.1980	0.000	1	92.7295	4224.018	3	92.7295	4224.018	3	97.2089	1874.651	70
238	362	362	0:SPD7_SPD6_SPD6	C[3x3,3x4]	C[3x3]	C[3,6x4]	6:7:7:5:6:6:3:	7:7:2:2:1:1:	7:3:2:2:2:1:	C[3,6x4]-6:C[4x3]-7:C[4x3]-7:C[6x4]-5:C[3x3]-6:C[3x3]-6:C[6a]-3:	C[3x3,3x4]-7:C[4x3]-7:H[3]-2:H[3]-2:H-1:H-1:	C[3x3,3x4]-7:H[3,3x4]-3:H[3]-2:H[3x4]-2:H[3x4]-2:H-1:	C[3x3,3x4](C[3,6x4]H[3,3x4]H[3x4]2H[3]H)(C[4x3]C[3x3]C[4x3]H[3]2HH)2(C[6x4]H[3,3x4]H[3x4]2H)(C[3x3]C[4x3]H[3]2HH)2(C[6a]C[6a]2)	C[3x3](C[3x3,3x4]C[3,6x4]C[3x3]C[4x3]2C[6x4]C[6a])(C[4x3]C[3x3,3x4]C[4x3]H[3]2HH)(H[3]C[4x3])2(H)2	C[3,6x4](C[3x3,3x4]C[3x3]2C[4x3]2C[6x4]C[6a])(H[3,3x4]C[6x4]H[3])(H[3]H[3,3x4])(H[3x4]C[6x4])2(H)	C[3x3,3x4](C[3,6x4]H[3,3x4]H[3x4]2H[3]H)(C[4x3]C[3x3]C[4x3]H[3]2HH)2(C[6x4]H[3,3x4]H[3x4]2H)(C[3x3]C[4x3]H[3]2HH)2(C[6a]C[6a]2){2|C<3>,2|H<1>}	C[3x3](C[3x3,3x4]C[3,6x4]C[3x3]C[4x3]2C[6x4]C[6a])(C[4x3]C[3x3,3x4]C[4x3]H[3]2HH)(H[3]C[4x3])2(H)2{1|H<3>,2|C<3>,5|H<2>,6|H<1>}	C[3,6x4](C[3x3,3x4]C[3x3]2C[4x3]2C[6x4]C[6a])(H[3,3x4]C[6x4]H[3])(H[3]H[3,3x4])(H[3x4]C[6x4])2(H){2|C<3>,4|H<2>,9|H<1>}	89.0874	23.593	2	89.0874	556.615	2	89.0874	556.615	2	89.0874	556.615	2	89.0874	556.615	2	112.3571	431.649	8
238	362	362	0:SPD7_SPD6_SPD6	C[3x3,3x4]	C[3x3]	C[3x3]	6:7:7:5:6:6:3:	7:7:2:2:1:1:	7:7:2:2:1:1:	C[3,6x4]-6:C[4x3]-7:C[4x3]-7:C[6x4]-5:C[3x3]-6:C[3x3]-6:C[6a]-3:	C[3x3,3x4]-7:C[4x3]-7:H[3]-2:H[3]-2:H-1:H-1:	C[3x3,3x4]-7:C[4x3]-7:H[3]-2:H[3]-2:H-1:H-1:	C[3x3,3x4](C[3,6x4]H[3,3x4]H[3x4]2H[3]H)(C[4x3]C[3x3]C[4x3]H[3]2HH)2(C[6x4]H[3,3x4]H[3x4]2H)(C[3x3]C[4x3]H[3]2HH)2(C[6a]C[6a]2)	C[3x3](C[3x3,3x4]C[3,6x4]C[3x3]C[4x3]2C[6x4]C[6a])(C[4x3]C[3x3,3x4]C[4x3]H[3]2HH)(H[3]C[4x3])2(H)2	C[3x3](C[3x3,3x4]C[3,6x4]C[3x3]C[4x3]2C[6x4]C[6a])(C[4x3]C[3x3,3x4]C[4x3]H[3]2HH)(H[3]C[4x3])2(H)2	C[3x3,3x4](C[3,6x4]H[3,3x4]H[3x4]2H[3]H)(C[4x3]C[3x3]C[4x3]H[3]2HH)2(C[6x4]H[3,3x4]H[3x4]2H)(C[3x3]C[4x3]H[3]2HH)2(C[6a]C[6a]2){2|C<3>,2|H<1>}	C[3x3](C[3x3,3x4]C[3,6x4]C[3x3]C[4x3]2C[6x4]C[6a])(C[4x3]C[3x3,3x4]C[4x3]H[3]2HH)(H[3]C[4x3])2(H)2{1|H<3>,2|C<3>,5|H<2>,6|H<1>}	C[3x3](C[3x3,3x4]C[3,6x4]C[3x3]C[4x3]2C[6x4]C[6a])(C[4x3]C[3x3,3x4]C[4x3]H[3]2HH)(H[3]C[4x3])2(H)2{1|H<3>,2|C<3>,5|H<2>,6|H<1>}	139.4430	0.000	1	139.4430	0.000	1	139.4430	0.000	1	139.4430	0.000	1	139.4430	0.000	1	112.3571	431.649	8
238	362	362	0:SPD7_SPD6_SPD6	C[4x3,4,4]	C[3x3]	C[3x3]	6:5:6:5:6:4:3:	7:5:6:2:1:1:	7:6:5:2:1:1:	C[3x3]-6:C[3,3,3x4]-5:C[3x3]-6:C[3,3]-5:C[3,3]-6:C[3x4]-4:C-3:	C[4x3,4,4]-7:C[3,3,3x4]-5:C[3,3]-6:H[3]-2:H-1:H-1:	C[4x3,4,4]-7:C[3,3]-6:C[3,3]-5:H[3]-2:H-1:H-1:	C[4x3,4,4](C[3x3]C[3,3,3x4]C[3,3]H[3]HH)(C[3,3,3x4]C[3x3]H[4,4]2H[3])(C[3x3]C[3,3]2H[3]HH)(C[3,3]C[3x3]H[3]HH)(C[3,3]C[3x3]2H3)(C[3x4]H[4,4]2H)(CNO)	C[3x3](C[4x3,4,4]C[3,3,3x4]C[3,3]2C[3x3]C[3x4]C)(C[3,3,3x4]C[4x3,4,4]H[4,4]2H[3])(C[3,3]C[4x3,4,4]C[3x3]H3)(H[3]C[3,3,3x4])(H)2	C[3x3](C[4x3,4,4]C[3,3,3x4]C[3,3]2C[3x3]C[3x4]C)(C[3,3]C[4x3,4,4]C[3x3]H3)(C[3,3]C[4x3,4,4]H[3]HH)(H[3]C[3,3])(H)2	C[4x3,4,4](C[3x3]C[3,3,3x4]C[3,3]H[3]HH)(C[3,3,3x4]C[3x3]H[4,4]2H[3])(C[3x3]C[3,3]2H[3]HH)(C[3,3]C[3x3]H[3]HH)(C[3,3]C[3x3]2H3)(C[3x4]H[4,4]2H)(CNO)	C[3x3](C[4x3,4,4]C[3,3,3x4]C[3,3]2C[3x3]C[3x4]C)(C[3,3,3x4]C[4x3,4,4]H[4,4]2H[3])(C[3,3]C[4x3,4,4]C[3x3]H3)(H[3]C[3,3,3x4])(H)2{1|H<2>,5|H<1>}	C[3x3](C[4x3,4,4]C[3,3,3x4]C[3,3]2C[3x3]C[3x4]C)(C[3,3]C[4x3,4,4]C[3x3]H3)(C[3,3]C[4x3,4,4]H[3]HH)(H[3]C[3,3])(H)2{3|H<1>,3|H<2>}	124.0740	0.000	1	124.0740	0.000	1	124.0740	0.000	1	124.0740	0.000	1	124.0740	0.000	1	112.3571	431.649	8
238	362	362	0:SPD7_SPD6_SPD6	C[6x3]	C[3x3,4,6]	C[3,3,4,4,6]	7:7:6:6:6:6:3:	7:7:6:3:2:1:	7:6:6:2:2:1:	C[4x3,4,6]-7:C[4x3,4,6]-7:C[3x3,4,6]-6:C[3x3,4,6]-6:C[3,3,4,4,6]-6:C[3,3,4,4,6]-6:C[6]-3:	C[6x3]-7:C[4x3,4,6]-7:C[3,3,4,4,6]-6:H[3,3]-3:H[4]-2:H-1:	C[6x3]-7:C[3x3,4,6]-6:C[3,3,4,4,6]-6:H[4]-2:H[4]-2:H-1:	C[6x3](C[4x3,4,6]C[3x3,4,6]C[4x3,4,6]H[3,3]H[3]H[4]H)2(C[3x3,4,6]C[3,3,4,4,6]C[4x3,4,6]H[3,3]H[4]H)2(C[3,3,4,4,6]C[3,3,4,4,6]C[3x3,4,6]H[4]2H)2(C[6]C[6]2)	C[3x3,4,6](C[6x3]C[3,3,4,4,6]2C[3x3,4,6]C[4x3,4,6]2C[6])(C[4x3,4,6]C[4x3,4,6]C[6x3]H[3,3]H[3]H[4]H)(C[3,3,4,4,6]C[3,3,4,4,6]C[6x3]H[4]2H)(H[3,3]C[4x3,4,6]H[3])(H[4]H[4])(H)	C[3,3,4,4,6](C[6x3]C[3,3,4,4,6]C[3x3,4,6]2C[4x3,4,6]2C[6])(C[3x3,4,6]C[4x3,4,6]C[6x3]H[3,3]H[4]H)(C[3,3,4,4,6]C[3x3,4,6]C[6x3]H[4]2H)(H[4]H[4])2(H)	C[6x3](C[4x3,4,6]C[3x3,4,6]C[4x3,4,6]H[3,3]H[3]H[4]H)2(C[3x3,4,6]C[3,3,4,4,6]C[4x3,4,6]H[3,3]H[4]H)2(C[3,3,4,4,6]C[3,3,4,4,6]C[3x3,4,6]H[4]2H)2(C[6]C[6]2){2|C<3>,2|H<1>}	C[3x3,4,6](C[6x3]C[3,3,4,4,6]2C[3x3,4,6]C[4x3,4,6]2C[6])(C[4x3,4,6]C[4x3,4,6]C[6x3]H[3,3]H[3]H[4]H)(C[3,3,4,4,6]C[3,3,4,4,6]C[6x3]H[4]2H)(H[3,3]C[4x3,4,6]H[3])(H[4]H[4])(H){1|H<3>,2|C<3>,3|H<1>,5|H<2>}	C[3,3,4,4,6](C[6x3]C[3,3,4,4,6]C[3x3,4,6]2C[4x3,4,6]2C[6])(C[3x3,4,6]C[4x3,4,6]C[6x3]H[3,3]H[4]H)(C[3,3,4,4,6]C[3x3,4,6]C[6x3]H[4]2H)(H[4]H[4])2(H){1|H<3>,2|C<3>,3|H<1>,5|H<2>}	107.5390	1.444	2	107.5390	2.085	2	107.5390	2.085	2	107.5390	2.085	2	107.5390	2.085	2	112.3571	431.649	8
238	362	362	0:SPD7_SPD6_SPD6	C[6x3]	C[3x3,4,6]	C[3x3,4,6]	7:7:6:6:6:6:3:	7:7:6:3:2:1:	7:7:6:3:2:1:	C[4x3,4,6]-7:C[4x3,4,6]-7:C[3x3,4,6]-6:C[3x3,4,6]-6:C[3,3,4,4,6]-6:C[3,3,4,4,6]-6:C[6]-3:	C[6x3]-7:C[4x3,4,6]-7:C[3,3,4,4,6]-6:H[3,3]-3:H[4]-2:H-1:	C[6x3]-7:C[4x3,4,6]-7:C[3,3,4,4,6]-6:H[3,3]-3:H[4]-2:H-1:	C[6x3](C[4x3,4,6]C[3x3,4,6]C[4x3,4,6]H[3,3]H[3]H[4]H)2(C[3x3,4,6]C[3,3,4,4,6]C[4x3,4,6]H[3,3]H[4]H)2(C[3,3,4,4,6]C[3,3,4,4,6]C[3x3,4,6]H[4]2H)2(C[6]C[6]2)	C[3x3,4,6](C[6x3]C[3,3,4,4,6]2C[3x3,4,6]C[4x3,4,6]2C[6])(C[4x3,4,6]C[4x3,4,6]C[6x3]H[3,3]H[3]H[4]H)(C[3,3,4,4,6]C[3,3,4,4,6]C[6x3]H[4]2H)(H[3,3]C[4x3,4,6]H[3])(H[4]H[4])(H)	C[3x3,4,6](C[6x3]C[3,3,4,4,6]2C[3x3,4,6]C[4x3,4,6]2C[6])(C[4x3,4,6]C[4x3,4,6]C[6x3]H[3,3]H[3]H[4]H)(C[3,3,4,4,6]C[3,3,4,4,6]C[6x3]H[4]2H)(H[3,3]C[4x3,4,6]H[3])(H[4]H[4])(H)	C[6x3](C[4x3,4,6]C[3x3,4,6]C[4x3,4,6]H[3,3]H[3]H[4]H)2(C[3x3,4,6]C[3,3,4,4,6]C[4x3,4,6]H[3,3]H[4]H)2(C[3,3,4,4,6]C[3,3,4,4,6]C[3x3,4,6]H[4]2H)2(C[6]C[6]2){2|C<3>,2|H<1>}	C[3x3,4,6](C[6x3]C[3,3,4,4,6]2C[3x3,4,6]C[4x3,4,6]2C[6])(C[4x3,4,6]C[4x3,4,6]C[6x3]H[3,3]H[3]H[4]H)(C[3,3,4,4,6]C[3,3,4,4,6]C[6x3]H[4]2H)(H[3,3]C[4x3,4,6]H[3])(H[4]H[4])(H){1|H<3>,2|C<3>,3|H<1>,5|H<2>}	C[3x3,4,6](C[6x3]C[3,3,4,4,6]2C[3x3,4,6]C[4x3,4,6]2C[6])(C[4x3,4,6]C[4x3,4,6]C[6x3]H[3,3]H[3]H[4]H)(C[3,3,4,4,6]C[3,3,4,4,6]C[6x3]H[4]2H)(H[3,3]C[4x3,4,6]H[3])(H[4]H[4])(H){1|H<3>,2|C<3>,3|H<1>,5|H<2>}	133.5260	0.000	1	133.5260	0.000	1	133.5260	0.000	1	133.5260	0.000	1	133.5260	0.000	1	112.3571	431.649	8
238	362	362	0:SPD7_SPD6_SPD6	C[6x3]	C[4x3,6]	C[3x3,6]	8:6:7:7:6:7:3:	7:8:7:2:2:1:	7:8:7:3:1:1:	C[5x3,6]-8:C[3x3,6]-6:C[4x3,6]-7:C[4x3,6]-7:C[4x3,6]-6:C[3x3,6]-7:C[6a]-3:	C[6x3]-7:C[5x3,6]-8:C[3x3,6]-7:H[3]-2:H[3]-2:H-1:	C[6x3]-7:C[5x3,6]-8:C[4x3,6]-7:H[3,3]-3:H-1:H-1:	C[6x3](C[5x3,6]C[3x3,6]C[4x3,6]H[3,3]H[3]2HH)(C[3x3,6]C[4x3,6]C[5x3,6]H[3,3]HH)(C[4x3,6]C[3x3,6]C[4x3,6]H[3]2HH)2(C[4x3,6]C[3x3,6]C[5x3,6]H[3]2H)(C[3x3,6]C[4x3,6]2H[3]H3)(C[6a]C[6a]2)	C[4x3,6](C[6x3]C[3x3,6]2C[4x3,6]2C[5x3,6]C[6a])(C[5x3,6]C[3x3,6]C[6x3]H[3,3]H[3]2HH)(C[3x3,6]C[4x3,6]C[6x3]H[3]H3)(H[3]C[3x3,6])(H[3]C[5x3,6])(H)	C[3x3,6](C[6x3]C[3x3,6]C[4x3,6]3C[5x3,6]C[6a])(C[5x3,6]C[4x3,6]C[6x3]H[3,3]H[3]2HH)(C[4x3,6]C[4x3,6]C[6x3]H[3]2HH)(H[3,3]C[5x3,6]H[3])(H)2	C[6x3](C[5x3,6]C[3x3,6]C[4x3,6]H[3,3]H[3]2HH)(C[3x3,6]C[4x3,6]C[5x3,6]H[3,3]HH)(C[4x3,6]C[3x3,6]C[4x3,6]H[3]2HH)2(C[4x3,6]C[3x3,6]C[5x3,6]H[3]2H)(C[3x3,6]C[4x3,6]2H[3]H3)(C[6a]C[6a]2){2|C<3>,2|H<1>}	C[4x3,6](C[6x3]C[3x3,6]2C[4x3,6]2C[5x3,6]C[6a])(C[5x3,6]C[3x3,6]C[6x3]H[3,3]H[3]2HH)(C[3x3,6]C[4x3,6]C[6x3]H[3]H3)(H[3]C[3x3,6])(H[3]C[5x3,6])(H){2|C<3>,2|H<2>,6|H<1>}	C[3x3,6](C[6x3]C[3x3,6]C[4x3,6]3C[5x3,6]C[6a])(C[5x3,6]C[4x3,6]C[6x3]H[3,3]H[3]2HH)(C[4x3,6]C[4x3,6]C[6x3]H[3]2HH)(H[3,3]C[5x3,6]H[3])(H)2{1|H<2>,2|C<3>,6|H<1>}	108.5610	0.000	1	108.5610	0.000	1	108.5610	0.000	1	108.5610	0.000	1	108.5610	0.000	1	112.3571	431.649	8
238	362	362	3:SPD7_SPD6_SPD6	C[3x3,3x4,5,5]	C[3x3,4,5,5]	C[3,3x4,4x5]	6:6:5:6:2:2:1:	7:6:5:2:2:1:	7:6:2:2:4:1:	C[3,3x4,4x5]-6:C[3x3,4,5,5]-6:C[4x4,5,5]-5:C[4,5,5]-6:H[3]-2:H[3]-2:H-1:	C[3x3,3x4,5,5]-7:C[3,3x4,4x5]-6:S[4,5,5]-5:H[3]-2:H[3]-2:H-1:	C[3x3,3x4,5,5]-7:C[3x3,4,5,5]-6:H[4,4,5]-2:H[4,4,5]-2:C[4,5,5]-4:H-1:	C[3x3,3x4,5,5](C[3,3x4,4x5]C[3x3,4,5,5]C[4,5,5]H[4,4,5]2H)(C[3x3,4,5,5]C[3,3x4,4x5]S[4,5,5]H[3]2H)(C[4x4,5,5]H[4,4,5]2S[4,5,5]H)(C[4,5,5]H[4,5]2H3)(H[3]C[3x3,4,5,5])2(H)	C[3x3,4,5,5](C[3x3,3x4,5,5]C[3,3x4,4x5]C[4x4,5,5]C[4,5,5]H[3]2H)(C[3,3x4,4x5]C[3x3,3x4,5,5]C[4,5,5]H[4,4,5]2H)(S[4,5,5]C[4x4,5,5]C[5]OO)(H[3]C[3x3,3x4,5,5])2(H)	C[3,3x4,4x5](C[3x3,3x4,5,5]C[3x3,4,5,5]C[4x4,5,5]C[4,5,5]H[3]2H)(C[3x3,4,5,5]C[3x3,3x4,5,5]S[4,5,5]H[3]2H)(H[4,4,5]C[4x4,5,5])2(C[4,5,5]H[4,5]2H)(H)	C[3x3,3x4,5,5](C[3,3x4,4x5]C[3x3,4,5,5]C[4,5,5]H[4,4,5]2H)(C[3x3,4,5,5]C[3,3x4,4x5]S[4,5,5]H[3]2H)(C[4x4,5,5]H[4,4,5]2S[4,5,5]H)(C[4,5,5]H[4,5]2H3)(H[3]C[3x3,4,5,5])2(H){1|C<4>,1|H<1>,2|O<1>}	C[3x3,4,5,5](C[3x3,3x4,5,5]C[3,3x4,4x5]C[4x4,5,5]C[4,5,5]H[3]2H)(C[3,3x4,4x5]C[3x3,3x4,5,5]C[4,5,5]H[4,4,5]2H)(S[4,5,5]C[4x4,5,5]C[5]OO)(H[3]C[3x3,3x4,5,5])2(H){2|C<4>,2|H<2>,6|H<1>}	C[3,3x4,4x5](C[3x3,3x4,5,5]C[3x3,4,5,5]C[4x4,5,5]C[4,5,5]H[3]2H)(C[3x3,4,5,5]C[3x3,3x4,5,5]S[4,5,5]H[3]2H)(H[4,4,5]C[4x4,5,5])2(C[4,5,5]H[4,5]2H)(H){1|C<4>,2|O<1>,4|H<1>}	76.6120	0.000	1	76.6120	0.000	1	76.6120	0.000	1	76.6120	0.000	1	76.6120	0.000	1	62.3544	76.570	6
238	362	362	3:SPD7_SPD6_SPD6	C[4x3,4,4]	C[3,3]	C[3x3]	6:5:6:5:6:4:3:	7:6:6:1:1:1:	7:6:5:2:1:1:	C[3x3]-6:C[3,3,3x4]-5:C[3x3]-6:C[3,3]-5:C[3,3]-6:C[3x4]-4:C-3:	C[4x3,4,4]-7:C[3x3]-6:C[3x3]-6:H-1:H-1:H-1:	C[4x3,4,4]-7:C[3,3]-6:C[3,3]-5:H[3]-2:H-1:H-1:	C[4x3,4,4](C[3x3]C[3,3,3x4]C[3,3]H[3]HH)(C[3,3,3x4]C[3x3]H[4,4]2H[3])(C[3x3]C[3,3]2H[3]HH)(C[3,3]C[3x3]H[3]HH)(C[3,3]C[3x3]2H3)(C[3x4]H[4,4]2H)(CNO)	C[3,3](C[4x3,4,4]C[3,3,3x4]C[3,3]C[3x3]2C[3x4]C)(C[3x3]C[3,3,3x4]C[4x3,4,4]H[3]HH)(C[3x3]C[4x3,4,4]C[3,3]H[3]HH)(H)3	C[3x3](C[4x3,4,4]C[3,3,3x4]C[3,3]2C[3x3]C[3x4]C)(C[3,3]C[4x3,4,4]C[3x3]H3)(C[3,3]C[4x3,4,4]H[3]HH)(H[3]C[3,3])(H)2	C[4x3,4,4](C[3x3]C[3,3,3x4]C[3,3]H[3]HH)(C[3,3,3x4]C[3x3]H[4,4]2H[3])(C[3x3]C[3,3]2H[3]HH)(C[3,3]C[3x3]H[3]HH)(C[3,3]C[3x3]2H3)(C[3x4]H[4,4]2H)(CNO)	C[3,3](C[4x3,4,4]C[3,3,3x4]C[3,3]C[3x3]2C[3x4]C)(C[3x3]C[3,3,3x4]C[4x3,4,4]H[3]HH)(C[3x3]C[4x3,4,4]C[3,3]H[3]HH)(H)3{2|H<2>,3|H<1>}	C[3x3](C[4x3,4,4]C[3,3,3x4]C[3,3]2C[3x3]C[3x4]C)(C[3,3]C[4x3,4,4]C[3x3]H3)(C[3,3]C[4x3,4,4]H[3]HH)(H[3]C[3,3])(H)2{3|H<1>,3|H<2>}	69.3555	0.000	1	69.3555	0.000	1	69.3555	0.000	1	69.3555	0.000	1	69.3555	0.000	1	62.3544	76.570	6
238	362	362	3:SPD7_SPD6_SPD6	C[4x3,4,4]	C[3x3]	C[3,3]	6:5:6:5:6:4:3:	7:5:6:2:1:1:	7:6:6:1:1:1:	C[3x3]-6:C[3,3,3x4]-5:C[3x3]-6:C[3,3]-5:C[3,3]-6:C[3x4]-4:C-3:	C[4x3,4,4]-7:C[3,3,3x4]-5:C[3,3]-6:H[3]-2:H-1:H-1:	C[4x3,4,4]-7:C[3x3]-6:C[3x3]-6:H-1:H-1:H-1:	C[4x3,4,4](C[3x3]C[3,3,3x4]C[3,3]H[3]HH)(C[3,3,3x4]C[3x3]H[4,4]2H[3])(C[3x3]C[3,3]2H[3]HH)(C[3,3]C[3x3]H[3]HH)(C[3,3]C[3x3]2H3)(C[3x4]H[4,4]2H)(CNO)	C[3x3](C[4x3,4,4]C[3,3,3x4]C[3,3]2C[3x3]C[3x4]C)(C[3,3,3x4]C[4x3,4,4]H[4,4]2H[3])(C[3,3]C[4x3,4,4]C[3x3]H3)(H[3]C[3,3,3x4])(H)2	C[3,3](C[4x3,4,4]C[3,3,3x4]C[3,3]C[3x3]2C[3x4]C)(C[3x3]C[3,3,3x4]C[4x3,4,4]H[3]HH)(C[3x3]C[4x3,4,4]C[3,3]H[3]HH)(H)3	C[4x3,4,4](C[3x3]C[3,3,3x4]C[3,3]H[3]HH)(C[3,3,3x4]C[3x3]H[4,4]2H[3])(C[3x3]C[3,3]2H[3]HH)(C[3,3]C[3x3]H[3]HH)(C[3,3]C[3x3]2H3)(C[3x4]H[4,4]2H)(CNO)	C[3x3](C[4x3,4,4]C[3,3,3x4]C[3,3]2C[3x3]C[3x4]C)(C[3,3,3x4]C[4x3,4,4]H[4,4]2H[3])(C[3,3]C[4x3,4,4]C[3x3]H3)(H[3]C[3,3,3x4])(H)2{1|H<2>,5|H<1>}	C[3,3](C[4x3,4,4]C[3,3,3x4]C[3,3]C[3x3]2C[3x4]C)(C[3x3]C[3,3,3x4]C[4x3,4,4]H[3]HH)(C[3x3]C[4x3,4,4]C[3,3]H[3]HH)(H)3{2|H<2>,3|H<1>}	60.5815	0.000	1	60.5815	0.000	1	60.5815	0.000	1	60.5815	0.000	1	60.5815	0.000	1	62.3544	76.570	6
238	362	362	3:SPD7_SPD6_SPD6	C[6x3]	C[3,3,4,4,6]	C[3,3,4,4,6]	7:7:6:6:6:6:3:	7:6:6:2:2:1:	7:6:6:2:2:1:	C[4x3,4,6]-7:C[4x3,4,6]-7:C[3x3,4,6]-6:C[3x3,4,6]-6:C[3,3,4,4,6]-6:C[3,3,4,4,6]-6:C[6]-3:	C[6x3]-7:C[3x3,4,6]-6:C[3,3,4,4,6]-6:H[4]-2:H[4]-2:H-1:	C[6x3]-7:C[3x3,4,6]-6:C[3,3,4,4,6]-6:H[4]-2:H[4]-2:H-1:	C[6x3](C[4x3,4,6]C[3x3,4,6]C[4x3,4,6]H[3,3]H[3]H[4]H)2(C[3x3,4,6]C[3,3,4,4,6]C[4x3,4,6]H[3,3]H[4]H)2(C[3,3,4,4,6]C[3,3,4,4,6]C[3x3,4,6]H[4]2H)2(C[6]C[6]2)	C[3,3,4,4,6](C[6x3]C[3,3,4,4,6]C[3x3,4,6]2C[4x3,4,6]2C[6])(C[3x3,4,6]C[4x3,4,6]C[6x3]H[3,3]H[4]H)(C[3,3,4,4,6]C[3x3,4,6]C[6x3]H[4]2H)(H[4]H[4])2(H)	C[3,3,4,4,6](C[6x3]C[3,3,4,4,6]C[3x3,4,6]2C[4x3,4,6]2C[6])(C[3x3,4,6]C[4x3,4,6]C[6x3]H[3,3]H[4]H)(C[3,3,4,4,6]C[3x3,4,6]C[6x3]H[4]2H)(H[4]H[4])2(H)	C[6x3](C[4x3,4,6]C[3x3,4,6]C[4x3,4,6]H[3,3]H[3]H[4]H)2(C[3x3,4,6]C[3,3,4,4,6]C[4x3,4,6]H[3,3]H[4]H)2(C[3,3,4,4,6]C[3,3,4,4,6]C[3x3,4,6]H[4]2H)2(C[6]C[6]2){2|C<3>,2|H<1>}	C[3,3,4,4,6](C[6x3]C[3,3,4,4,6]C[3x3,4,6]2C[4x3,4,6]2C[6])(C[3x3,4,6]C[4x3,4,6]C[6x3]H[3,3]H[4]H)(C[3,3,4,4,6]C[3x3,4,6]C[6x3]H[4]2H)(H[4]H[4])2(H){1|H<3>,2|C<3>,3|H<1>,5|H<2>}	C[3,3,4,4,6](C[6x3]C[3,3,4,4,6]C[3x3,4,6]2C[4x3,4,6]2C[6])(C[3x3,4,6]C[4x3,4,6]C[6x3]H[3,3]H[4]H)(C[3,3,4,4,6]C[3x3,4,6]C[6x3]H[4]2H)(H[4]H[4])2(H){1|H<3>,2|C<3>,3|H<1>,5|H<2>}	56.1435	0.000	1	56.1435	0.000	1	56.1435	0.000	1	56.1435	0.000	1	56.1435	0.000	1	62.3544	76.570	6
238	362	362	3:SPD7_SPD6_SPD6	C[6x3]	C[3x3,4,6]	C[3,3,4,4,6]	7:7:6:6:6:6:3:	7:7:6:3:2:1:	7:6:6:2:2:1:	C[4x3,4,6]-7:C[4x3,4,6]-7:C[3x3,4,6]-6:C[3x3,4,6]-6:C[3,3,4,4,6]-6:C[3,3,4,4,6]-6:C[6]-3:	C[6x3]-7:C[4x3,4,6]-7:C[3,3,4,4,6]-6:H[3,3]-3:H[4]-2:H-1:	C[6x3]-7:C[3x3,4,6]-6:C[3,3,4,4,6]-6:H[4]-2:H[4]-2:H-1:	C[6x3](C[4x3,4,6]C[3x3,4,6]C[4x3,4,6]H[3,3]H[3]H[4]H)2(C[3x3,4,6]C[3,3,4,4,6]C[4x3,4,6]H[3,3]H[4]H)2(C[3,3,4,4,6]C[3,3,4,4,6]C[3x3,4,6]H[4]2H)2(C[6]C[6]2)	C[3x3,4,6](C[6x3]C[3,3,4,4,6]2C[3x3,4,6]C[4x3,4,6]2C[6])(C[4x3,4,6]C[4x3,4,6]C[6x3]H[3,3]H[3]H[4]H)(C[3,3,4,4,6]C[3,3,4,4,6]C[6x3]H[4]2H)(H[3,3]C[4x3,4,6]H[3])(H[4]H[4])(H)	C[3,3,4,4,6](C[6x3]C[3,3,4,4,6]C[3x3,4,6]2C[4x3,4,6]2C[6])(C[3x3,4,6]C[4x3,4,6]C[6x3]H[3,3]H[4]H)(C[3,3,4,4,6]C[3x3,4,6]C[6x3]H[4]2H)(H[4]H[4])2(H)	C[6x3](C[4x3,4,6]C[3x3,4,6]C[4x3,4,6]H[3,3]H[3]H[4]H)2(C[3x3,4,6]C[3,3,4,4,6]C[4x3,4,6]H[3,3]H[4]H)2(C[3,3,4,4,6]C[3,3,4,4,6]C[3x3,4,6]H[4]2H)2(C[6]C[6]2){2|C<3>,2|H<1>}	C[3x3,4,6](C[6x3]C[3,3,4,4,6]2C[3x3,4,6]C[4x3,4,6]2C[6])(C[4x3,4,6]C[4x3,4,6]C[6x3]H[3,3]H[3]H[4]H)(C[3,3,4,4,6]C[3,3,4,4,6]C[6x3]H[4]2H)(H[3,3]C[4x3,4,6]H[3])(H[4]H[4])(H){1|H<3>,2|C<3>,3|H<1>,5|H<2>}	C[3,3,4,4,6](C[6x3]C[3,3,4,4,6]C[3x3,4,6]2C[4x3,4,6]2C[6])(C[3x3,4,6]C[4x3,4,6]C[6x3]H[3,3]H[4]H)(C[3,3,4,4,6]C[3x3,4,6]C[6x3]H[4]2H)(H[4]H[4])2(H){1|H<3>,2|C<3>,3|H<1>,5|H<2>}	55.7169	0.849	2	55.7169	0.721	2	55.7169	0.721	2	55.7169	0.721	2	55.7169	0.721	2	62.3544	76.570	6
238	362	398	0:SPD7_SP-NON_SPD6	C[4x3,4,6]	C[3x3,4,6]	H[3,3]	7:7:6:3:2:2:1:	7:7:6:3:2:1:	7:6:2:	C[6x3]-7:C[4x3,4,6]-7:C[3x3,4,6]-6:H[3,3]-3:H[3]-2:H[4]-2:H-1:	C[6x3]-7:C[4x3,4,6]-7:C[3,3,4,4,6]-6:H[3,3]-3:H[4]-2:H-1:	C[4x3,4,6]-7:C[3x3,4,6]-6:H[3]-2:	C[4x3,4,6](C[6x3]C[3,3,4,4,6]2C[3x3,4,6]2C[4x3,4,6]C[6])(C[4x3,4,6]C[3x3,4,6]C[6x3]H[3,3]H[3]H[4]H)(C[3x3,4,6]C[3,3,4,4,6]C[6x3]H[3,3]H[4]H)(H[3,3]C[3x3,4,6]H[3])(H[3]H[3,3])(H[4]H[4])(H)	C[3x3,4,6](C[6x3]C[3,3,4,4,6]2C[3x3,4,6]C[4x3,4,6]2C[6])(C[4x3,4,6]C[4x3,4,6]C[6x3]H[3,3]H[3]H[4]H)(C[3,3,4,4,6]C[3,3,4,4,6]C[6x3]H[4]2H)(H[3,3]C[4x3,4,6]H[3])(H[4]H[4])(H)	H[3,3](C[4x3,4,6]C[3x3,4,6]C[4x3,4,6]C[6x3]H[3]H[4]H)(C[3x3,4,6]C[3,3,4,4,6]C[4x3,4,6]C[6x3]H[4]H)(H[3]C[4x3,4,6])	C[4x3,4,6](C[6x3]C[3,3,4,4,6]2C[3x3,4,6]2C[4x3,4,6]C[6])(C[4x3,4,6]C[3x3,4,6]C[6x3]H[3,3]H[3]H[4]H)(C[3x3,4,6]C[3,3,4,4,6]C[6x3]H[3,3]H[4]H)(H[3,3]C[3x3,4,6]H[3])(H[3]H[3,3])(H[4]H[4])(H){2|C<3>,3|H<1>,5|H<2>}	C[3x3,4,6](C[6x3]C[3,3,4,4,6]2C[3x3,4,6]C[4x3,4,6]2C[6])(C[4x3,4,6]C[4x3,4,6]C[6x3]H[3,3]H[3]H[4]H)(C[3,3,4,4,6]C[3,3,4,4,6]C[6x3]H[4]2H)(H[3,3]C[4x3,4,6]H[3])(H[4]H[4])(H){1|H<3>,2|C<3>,3|H<1>,5|H<2>}	H[3,3](C[4x3,4,6]C[3x3,4,6]C[4x3,4,6]C[6x3]H[3]H[4]H)(C[3x3,4,6]C[3,3,4,4,6]C[4x3,4,6]C[6x3]H[4]H)(H[3]C[4x3,4,6])	42.2075	0.268	2	42.2075	0.072	2	42.2075	0.072	2	42.2075	0.072	2	42.2075	0.072	2	92.2897	3617.735	4
238	362	398	0:SPD7_SP-NON_SPD6	C[4x3]	C[3x3]	H[3,3]	6:5:5:3:2:1:1:	7:5:6:3:1:1:	7:5:2:	C[3x3]-6:C[3,3]-5:N[3x3]-5:H[3,3]-3:H[3]-2:H-1:H-1:	C[4x3]-7:N[3x3]-5:C[3x3]-6:H[3,3]-3:H-1:H-1:	C[4x3]-7:C[3,3]-5:H[3]-2:	C[4x3](C[3x3]C[3x3]H[3,3]N[3x3]HH)(C[3,3]H[3,3]N[3x3]HH)(N[3x3]C[3,3]C[3x3]2C)(H[3,3]C[3,3]H[3])(H[3]H[3,3])(H)2	C[3x3](C[4x3]C[3,3]H[3,3]N[3x3]H[3]HH)(N[3x3]C[3,3]C[3x3]C[4x3]C)(C[3x3]H[3,3]N[3x3]H[3]HH)(H[3,3]C[3x3]H[3])(H)2	H[3,3](C[4x3]C[3,3]C[3x3]N[3x3]H[3]HH)(C[3,3]C[4x3]N[3x3]HH)(H[3]C[4x3])	C[4x3](C[3x3]C[3x3]H[3,3]N[3x3]HH)(C[3,3]H[3,3]N[3x3]HH)(N[3x3]C[3,3]C[3x3]2C)(H[3,3]C[3,3]H[3])(H[3]H[3,3])(H)2{1|H<2>,2|H<1>}	C[3x3](C[4x3]C[3,3]H[3,3]N[3x3]H[3]HH)(N[3x3]C[3,3]C[3x3]C[4x3]C)(C[3x3]H[3,3]N[3x3]H[3]HH)(H[3,3]C[3x3]H[3])(H)2{2|H<1>}	H[3,3](C[4x3]C[3,3]C[3x3]N[3x3]H[3]HH)(C[3,3]C[4x3]N[3x3]HH)(H[3]C[4x3])	162.6230	0.000	1	162.6230	0.000	1	162.6230	0.000	1	162.6230	0.000	1	162.6230	0.000	1	92.2897	3617.735	4
238	362	398	0:SPD7_SP-NON_SPD6	C[6x3,4,4]	C[4x3,4,4,5]	H[3,3]	6:5:4:4:3:2:1:	7:5:4:3:2:1:	5:7:2:	C[4x3,4,4,5]-6:C[4x3,4,4,5]-5:C[3,4x4,5]-4:O[4x3,4,4]-4:H[3,3]-3:H[3]-2:H-1:	C[6x3,4,4]-7:C[4x3,4,4,5]-5:O[4x3,4,4]-4:H[3,4,4,5]-3:H[3]-2:H-1:	C[4x3,4,4,5]-5:C[6x3,4,4]-7:H[3]-2:	C[6x3,4,4](C[4x3,4,4,5]C[4x3,4,4,5]H[3,4,4,5]O[4x3,4,4]H[3]H)(C[4x3,4,4,5]C[4x3,4,4,5]O[4x3,4,4]C[4,4,5]H[3,3])(C[3,4x4,5]H[3,4,4,5]O[4x3,4,4]C[4,4,5])(O[4x3,4,4]C[4x3,4,4,5]2C[3,4x4,5])(H[3,3]C[4x3,4,4,5]H[3])(H[3]H[3,3])(H)	C[4x3,4,4,5](C[6x3,4,4]C[4x3,4,4,5]C[3,4x4,5]O[4x3,4,4]H[3,3]H[3]H)(C[4x3,4,4,5]C[6x3,4,4]O[4x3,4,4]C[4,4,5]H[3,3])(O[4x3,4,4]C[4x3,4,4,5]C[3,4x4,5]C[6x3,4,4])(H[3,4,4,5]C[3,4x4,5]H[3])(H[3]H[3,4,4,5])(H)	H[3,3](C[4x3,4,4,5]C[4x3,4,4,5]C[6x3,4,4]O[4x3,4,4]C[4,4,5])(C[6x3,4,4]C[4x3,4,4,5]2C[3,4x4,5]O[4x3,4,4]H[3]H)(H[3]C[6x3,4,4])	C[6x3,4,4](C[4x3,4,4,5]C[4x3,4,4,5]H[3,4,4,5]O[4x3,4,4]H[3]H)(C[4x3,4,4,5]C[4x3,4,4,5]O[4x3,4,4]C[4,4,5]H[3,3])(C[3,4x4,5]H[3,4,4,5]O[4x3,4,4]C[4,4,5])(O[4x3,4,4]C[4x3,4,4,5]2C[3,4x4,5])(H[3,3]C[4x3,4,4,5]H[3])(H[3]H[3,3])(H){1|O<2>,2|H<1>}	C[4x3,4,4,5](C[6x3,4,4]C[4x3,4,4,5]C[3,4x4,5]O[4x3,4,4]H[3,3]H[3]H)(C[4x3,4,4,5]C[6x3,4,4]O[4x3,4,4]C[4,4,5]H[3,3])(O[4x3,4,4]C[4x3,4,4,5]C[3,4x4,5]C[6x3,4,4])(H[3,4,4,5]C[3,4x4,5]H[3])(H[3]H[3,4,4,5])(H){1|O<2>,2|H<1>}	H[3,3](C[4x3,4,4,5]C[4x3,4,4,5]C[6x3,4,4]O[4x3,4,4]C[4,4,5])(C[6x3,4,4]C[4x3,4,4,5]2C[3,4x4,5]O[4x3,4,4]H[3]H)(H[3]C[6x3,4,4])	122.1210	0.000	1	122.1210	0.000	1	122.1210	0.000	1	122.1210	0.000	1	122.1210	0.000	1	92.2897	3617.735	4
238	362	426	0:SPD7_SPD6_SPD6	C[3x3,3x4,5,5]	C[3x3,4,5,5]	C[4,5,5]	6:6:5:6:2:2:1:	7:6:5:2:2:1:	7:2:2:1:1:1:	C[3,3x4,4x5]-6:C[3x3,4,5,5]-6:C[4x4,5,5]-5:C[4,5,5]-6:H[3]-2:H[3]-2:H-1:	C[3x3,3x4,5,5]-7:C[3,3x4,4x5]-6:S[4,5,5]-5:H[3]-2:H[3]-2:H-1:	C[3x3,3x4,5,5]-7:H[4,5]-2:H[4,5]-2:H-1:H-1:H-1:	C[3x3,3x4,5,5](C[3,3x4,4x5]C[3x3,4,5,5]C[4,5,5]H[4,4,5]2H)(C[3x3,4,5,5]C[3,3x4,4x5]S[4,5,5]H[3]2H)(C[4x4,5,5]H[4,4,5]2S[4,5,5]H)(C[4,5,5]H[4,5]2H3)(H[3]C[3x3,4,5,5])2(H)	C[3x3,4,5,5](C[3x3,3x4,5,5]C[3,3x4,4x5]C[4x4,5,5]C[4,5,5]H[3]2H)(C[3,3x4,4x5]C[3x3,3x4,5,5]C[4,5,5]H[4,4,5]2H)(S[4,5,5]C[4x4,5,5]C[5]OO)(H[3]C[3x3,3x4,5,5])2(H)	C[4,5,5](C[3x3,3x4,5,5]C[3,3x4,4x5]C[3x3,4,5,5]C[4x4,5,5]H[3]2H)(H[4,5]C[4,5,5])2(H)3	C[3x3,3x4,5,5](C[3,3x4,4x5]C[3x3,4,5,5]C[4,5,5]H[4,4,5]2H)(C[3x3,4,5,5]C[3,3x4,4x5]S[4,5,5]H[3]2H)(C[4x4,5,5]H[4,4,5]2S[4,5,5]H)(C[4,5,5]H[4,5]2H3)(H[3]C[3x3,4,5,5])2(H){1|C<4>,1|H<1>,2|O<1>}	C[3x3,4,5,5](C[3x3,3x4,5,5]C[3,3x4,4x5]C[4x4,5,5]C[4,5,5]H[3]2H)(C[3,3x4,4x5]C[3x3,3x4,5,5]C[4,5,5]H[4,4,5]2H)(S[4,5,5]C[4x4,5,5]C[5]OO)(H[3]C[3x3,3x4,5,5])2(H){2|C<4>,2|H<2>,6|H<1>}	C[4,5,5](C[3x3,3x4,5,5]C[3,3x4,4x5]C[3x3,4,5,5]C[4x4,5,5]H[3]2H)(H[4,5]C[4,5,5])2(H)3{1|S<5>,2|H<2>,3|H<1>}	120.1890	0.000	1	120.1890	0.000	1	120.1890	0.000	1	120.1890	0.000	1	120.1890	0.000	1	120.1890	0.000	1
238	362	426	5:SPD7_SPD6_SPD6	C[3x3,3x4,5,5]	C[3,3x4,4x5]	C[4,5,5]	6:6:5:6:2:2:1:	7:6:2:2:4:1:	7:2:2:1:1:1:	C[3,3x4,4x5]-6:C[3x3,4,5,5]-6:C[4x4,5,5]-5:C[4,5,5]-6:H[3]-2:H[3]-2:H-1:	C[3x3,3x4,5,5]-7:C[3x3,4,5,5]-6:H[4,4,5]-2:H[4,4,5]-2:C[4,5,5]-4:H-1:	C[3x3,3x4,5,5]-7:H[4,5]-2:H[4,5]-2:H-1:H-1:H-1:	C[3x3,3x4,5,5](C[3,3x4,4x5]C[3x3,4,5,5]C[4,5,5]H[4,4,5]2H)(C[3x3,4,5,5]C[3,3x4,4x5]S[4,5,5]H[3]2H)(C[4x4,5,5]H[4,4,5]2S[4,5,5]H)(C[4,5,5]H[4,5]2H3)(H[3]C[3x3,4,5,5])2(H)	C[3,3x4,4x5](C[3x3,3x4,5,5]C[3x3,4,5,5]C[4x4,5,5]C[4,5,5]H[3]2H)(C[3x3,4,5,5]C[3x3,3x4,5,5]S[4,5,5]H[3]2H)(H[4,4,5]C[4x4,5,5])2(C[4,5,5]H[4,5]2H)(H)	C[4,5,5](C[3x3,3x4,5,5]C[3,3x4,4x5]C[3x3,4,5,5]C[4x4,5,5]H[3]2H)(H[4,5]C[4,5,5])2(H)3	C[3x3,3x4,5,5](C[3,3x4,4x5]C[3x3,4,5,5]C[4,5,5]H[4,4,5]2H)(C[3x3,4,5,5]C[3,3x4,4x5]S[4,5,5]H[3]2H)(C[4x4,5,5]H[4,4,5]2S[4,5,5]H)(C[4,5,5]H[4,5]2H3)(H[3]C[3x3,4,5,5])2(H){1|C<4>,1|H<1>,2|O<1>}	C[3,3x4,4x5](C[3x3,3x4,5,5]C[3x3,4,5,5]C[4x4,5,5]C[4,5,5]H[3]2H)(C[3x3,4,5,5]C[3x3,3x4,5,5]S[4,5,5]H[3]2H)(H[4,4,5]C[4x4,5,5])2(C[4,5,5]H[4,5]2H)(H){1|C<4>,2|O<1>,4|H<1>}	C[4,5,5](C[3x3,3x4,5,5]C[3,3x4,4x5]C[3x3,4,5,5]C[4x4,5,5]H[3]2H)(H[4,5]C[4,5,5])2(H)3{1|S<5>,2|H<2>,3|H<1>}	83.0973	0.000	1	83.0973	0.000	1	83.0973	0.000	1	83.0973	0.000	1	83.0973	0.000	1	83.0973	0.000	1
238	362	466	0:SPD7_SP3_SPD6	C[3x3,4]	C[3x3]	C[6]	6:4:5:3:4:4:2:	7:4:3:5:1:1:	7:4:4:1:	C[3x3]-6:C[3x3]-4:C[3,3]-5:C[3,3]-3:C[6]-4:C[4]-4:C[4]-2:	C[3x3,4]-7:C[3x3]-4:C[3,3]-3:C[3]-5:H-1:H-1:	C[3x3,4]-7:C[3,6]-4:C[3,6]-4:H-1:	C[3x3,4](C[3x3]C[3,3]C[3x3]C[3]HH)(C[3x3]C[3,3]C[3x3]H[3])(C[3,3]C[3x3]H[3]HH)(C[3,3]C[3x3]C[3])(C[6]C[3,6]2H)(C[4]H[4]HH)(C[4]H[4])	C[3x3](C[3x3,4]C[3,3]2C[3x3]C[4]2C[6])(C[3x3]C[3x3,4]C[3,3]H[3])(C[3,3]C[3x3,4]C[3])(C[3]C[3,3]CHH)(H)2	C[6](C[3x3,4]C[3,3]2C[3x3]2C[4]2)(C[3,6]C[3]C[6]O[3])(C[3,6]C[3,6]O[3]H)(H)	C[3x3,4](C[3x3]C[3,3]C[3x3]C[3]HH)(C[3x3]C[3,3]C[3x3]H[3])(C[3,3]C[3x3]H[3]HH)(C[3,3]C[3x3]C[3])(C[6]C[3,6]2H)(C[4]H[4]HH)(C[4]H[4]){2|O<2>,3|H<1>,4|C<4>}	C[3x3](C[3x3,4]C[3,3]2C[3x3]C[4]2C[6])(C[3x3]C[3x3,4]C[3,3]H[3])(C[3,3]C[3x3,4]C[3])(C[3]C[3,3]CHH)(H)2{1|H<2>,2|C<4>,5|H<1>}	C[6](C[3x3,4]C[3,3]2C[3x3]2C[4]2)(C[3,6]C[3]C[6]O[3])(C[3,6]C[3,6]O[3]H)(H){1|C<5>,2|H<2>,4|C<4>,8|H<1>}	111.3170	0.000	1	111.3170	0.000	1	111.3170	0.000	1	111.3170	0.000	1	111.3170	0.000	1	111.3170	0.000	1
238	362	478	0:SPD7_SP3_SPD6	C[3x3,4]	C[3x3]	C[4]	6:4:5:3:4:4:2:	7:4:3:5:1:1:	7:2:1:1:	C[3x3]-6:C[3x3]-4:C[3,3]-5:C[3,3]-3:C[6]-4:C[4]-4:C[4]-2:	C[3x3,4]-7:C[3x3]-4:C[3,3]-3:C[3]-5:H-1:H-1:	C[3x3,4]-7:H[4]-2:H-1:H-1:	C[3x3,4](C[3x3]C[3,3]C[3x3]C[3]HH)(C[3x3]C[3,3]C[3x3]H[3])(C[3,3]C[3x3]H[3]HH)(C[3,3]C[3x3]C[3])(C[6]C[3,6]2H)(C[4]H[4]HH)(C[4]H[4])	C[3x3](C[3x3,4]C[3,3]2C[3x3]C[4]2C[6])(C[3x3]C[3x3,4]C[3,3]H[3])(C[3,3]C[3x3,4]C[3])(C[3]C[3,3]CHH)(H)2	C[4](C[3x3,4]C[3,3]2C[3x3]2C[4]C[6])(H[4]C[4])(H)2	C[3x3,4](C[3x3]C[3,3]C[3x3]C[3]HH)(C[3x3]C[3,3]C[3x3]H[3])(C[3,3]C[3x3]H[3]HH)(C[3,3]C[3x3]C[3])(C[6]C[3,6]2H)(C[4]H[4]HH)(C[4]H[4]){2|O<2>,3|H<1>,4|C<4>}	C[3x3](C[3x3,4]C[3,3]2C[3x3]C[4]2C[6])(C[3x3]C[3x3,4]C[3,3]H[3])(C[3,3]C[3x3,4]C[3])(C[3]C[3,3]CHH)(H)2{1|H<2>,2|C<4>,5|H<1>}	C[4](C[3x3,4]C[3,3]2C[3x3]2C[4]C[6])(H[4]C[4])(H)2{1|C<5>,1|H<2>,2|C<4>,5|H<1>}	112.1780	0.000	1	112.1780	0.000	1	112.1780	0.000	1	112.1780	0.000	1	112.1780	0.000	1	113.4831	493.028	4
238	362	478	0:SPD7_SP3_SPD6	C[4x3,4,4]	C[3,3]	C[3x4]	6:5:6:5:6:4:3:	7:6:6:1:1:1:	7:2:2:1:	C[3x3]-6:C[3,3,3x4]-5:C[3x3]-6:C[3,3]-5:C[3,3]-6:C[3x4]-4:C-3:	C[4x3,4,4]-7:C[3x3]-6:C[3x3]-6:H-1:H-1:H-1:	C[4x3,4,4]-7:H[4,4]-2:H[4,4]-2:H-1:	C[4x3,4,4](C[3x3]C[3,3,3x4]C[3,3]H[3]HH)(C[3,3,3x4]C[3x3]H[4,4]2H[3])(C[3x3]C[3,3]2H[3]HH)(C[3,3]C[3x3]H[3]HH)(C[3,3]C[3x3]2H3)(C[3x4]H[4,4]2H)(CNO)	C[3,3](C[4x3,4,4]C[3,3,3x4]C[3,3]C[3x3]2C[3x4]C)(C[3x3]C[3,3,3x4]C[4x3,4,4]H[3]HH)(C[3x3]C[4x3,4,4]C[3,3]H[3]HH)(H)3	C[3x4](C[4x3,4,4]C[3,3,3x4]C[3,3]2C[3x3]2C)(H[4,4]C[3,3,3x4])2(H)	C[4x3,4,4](C[3x3]C[3,3,3x4]C[3,3]H[3]HH)(C[3,3,3x4]C[3x3]H[4,4]2H[3])(C[3x3]C[3,3]2H[3]HH)(C[3,3]C[3x3]H[3]HH)(C[3,3]C[3x3]2H3)(C[3x4]H[4,4]2H)(CNO)	C[3,3](C[4x3,4,4]C[3,3,3x4]C[3,3]C[3x3]2C[3x4]C)(C[3x3]C[3,3,3x4]C[4x3,4,4]H[3]HH)(C[3x3]C[4x3,4,4]C[3,3]H[3]HH)(H)3{2|H<2>,3|H<1>}	C[3x4](C[4x3,4,4]C[3,3,3x4]C[3,3]2C[3x3]2C)(H[4,4]C[3,3,3x4])2(H){2|H<2>,9|H<1>}	136.3310	0.000	1	136.3310	0.000	1	136.3310	0.000	1	136.3310	0.000	1	136.3310	0.000	1	113.4831	493.028	4
238	362	478	0:SPD7_SP3_SPD6	C[4x3,4,4]	C[3x3]	C[3x4]	6:5:6:5:6:4:3:	7:5:6:2:1:1:	7:2:2:1:	C[3x3]-6:C[3,3,3x4]-5:C[3x3]-6:C[3,3]-5:C[3,3]-6:C[3x4]-4:C-3:	C[4x3,4,4]-7:C[3,3,3x4]-5:C[3,3]-6:H[3]-2:H-1:H-1:	C[4x3,4,4]-7:H[4,4]-2:H[4,4]-2:H-1:	C[4x3,4,4](C[3x3]C[3,3,3x4]C[3,3]H[3]HH)(C[3,3,3x4]C[3x3]H[4,4]2H[3])(C[3x3]C[3,3]2H[3]HH)(C[3,3]C[3x3]H[3]HH)(C[3,3]C[3x3]2H3)(C[3x4]H[4,4]2H)(CNO)	C[3x3](C[4x3,4,4]C[3,3,3x4]C[3,3]2C[3x3]C[3x4]C)(C[3,3,3x4]C[4x3,4,4]H[4,4]2H[3])(C[3,3]C[4x3,4,4]C[3x3]H3)(H[3]C[3,3,3x4])(H)2	C[3x4](C[4x3,4,4]C[3,3,3x4]C[3,3]2C[3x3]2C)(H[4,4]C[3,3,3x4])2(H)	C[4x3,4,4](C[3x3]C[3,3,3x4]C[3,3]H[3]HH)(C[3,3,3x4]C[3x3]H[4,4]2H[3])(C[3x3]C[3,3]2H[3]HH)(C[3,3]C[3x3]H[3]HH)(C[3,3]C[3x3]2H3)(C[3x4]H[4,4]2H)(CNO)	C[3x3](C[4x3,4,4]C[3,3,3x4]C[3,3]2C[3x3]C[3x4]C)(C[3,3,3x4]C[4x3,4,4]H[4,4]2H[3])(C[3,3]C[4x3,4,4]C[3x3]H3)(H[3]C[3,3,3x4])(H)2{1|H<2>,5|H<1>}	C[3x4](C[4x3,4,4]C[3,3,3x4]C[3,3]2C[3x3]2C)(H[4,4]C[3,3,3x4])2(H){2|H<2>,9|H<1>}	83.6945	0.000	1	83.6945	0.000	1	83.6945	0.000	1	83.6945	0.000	1	102.7117	723.312	2	113.4831	493.028	4
238	362	478	0:SPD7_SP3_SPD6	C[4x3,4,4]	C[3x3]	C[3x4]	6:5:6:5:6:4:3:	7:6:5:2:1:1:	7:2:2:1:	C[3x3]-6:C[3,3,3x4]-5:C[3x3]-6:C[3,3]-5:C[3,3]-6:C[3x4]-4:C-3:	C[4x3,4,4]-7:C[3,3]-6:C[3,3]-5:H[3]-2:H-1:H-1:	C[4x3,4,4]-7:H[4,4]-2:H[4,4]-2:H-1:	C[4x3,4,4](C[3x3]C[3,3,3x4]C[3,3]H[3]HH)(C[3,3,3x4]C[3x3]H[4,4]2H[3])(C[3x3]C[3,3]2H[3]HH)(C[3,3]C[3x3]H[3]HH)(C[3,3]C[3x3]2H3)(C[3x4]H[4,4]2H)(CNO)	C[3x3](C[4x3,4,4]C[3,3,3x4]C[3,3]2C[3x3]C[3x4]C)(C[3,3]C[4x3,4,4]C[3x3]H3)(C[3,3]C[4x3,4,4]H[3]HH)(H[3]C[3,3])(H)2	C[3x4](C[4x3,4,4]C[3,3,3x4]C[3,3]2C[3x3]2C)(H[4,4]C[3,3,3x4])2(H)	C[4x3,4,4](C[3x3]C[3,3,3x4]C[3,3]H[3]HH)(C[3,3,3x4]C[3x3]H[4,4]2H[3])(C[3x3]C[3,3]2H[3]HH)(C[3,3]C[3x3]H[3]HH)(C[3,3]C[3x3]2H3)(C[3x4]H[4,4]2H)(CNO)	C[3x3](C[4x3,4,4]C[3,3,3x4]C[3,3]2C[3x3]C[3x4]C)(C[3,3]C[4x3,4,4]C[3x3]H3)(C[3,3]C[4x3,4,4]H[3]HH)(H[3]C[3,3])(H)2{3|H<1>,3|H<2>}	C[3x4](C[4x3,4,4]C[3,3,3x4]C[3,3]2C[3x3]2C)(H[4,4]C[3,3,3x4])2(H){2|H<2>,9|H<1>}	121.7290	0.000	1	121.7290	0.000	1	121.7290	0.000	1	121.7290	0.000	1	102.7117	723.312	2	113.4831	493.028	4
238	362	486	3:SPD7_SP3_SPD6	C[3x3,4]	C[3x3]	C[3x3]	6:4:5:3:4:4:2:	7:4:3:5:1:1:	7:6:5:2:	C[3x3]-6:C[3x3]-4:C[3,3]-5:C[3,3]-3:C[6]-4:C[4]-4:C[4]-2:	C[3x3,4]-7:C[3x3]-4:C[3,3]-3:C[3]-5:H-1:H-1:	C[3x3,4]-7:C[3x3]-6:C[3,3]-5:H[3]-2:	C[3x3,4](C[3x3]C[3,3]C[3x3]C[3]HH)(C[3x3]C[3,3]C[3x3]H[3])(C[3,3]C[3x3]H[3]HH)(C[3,3]C[3x3]C[3])(C[6]C[3,6]2H)(C[4]H[4]HH)(C[4]H[4])	C[3x3](C[3x3,4]C[3,3]2C[3x3]C[4]2C[6])(C[3x3]C[3x3,4]C[3,3]H[3])(C[3,3]C[3x3,4]C[3])(C[3]C[3,3]CHH)(H)2	C[3x3](C[3x3,4]C[3,3]2C[3x3]C[4]2C[6])(C[3x3]C[3x3,4]C[3,3]C[3]HH)(C[3,3]C[3x3,4]H[3]HH)(H[3]C[3,3])	C[3x3,4](C[3x3]C[3,3]C[3x3]C[3]HH)(C[3x3]C[3,3]C[3x3]H[3])(C[3,3]C[3x3]H[3]HH)(C[3,3]C[3x3]C[3])(C[6]C[3,6]2H)(C[4]H[4]HH)(C[4]H[4]){2|O<2>,3|H<1>,4|C<4>}	C[3x3](C[3x3,4]C[3,3]2C[3x3]C[4]2C[6])(C[3x3]C[3x3,4]C[3,3]H[3])(C[3,3]C[3x3,4]C[3])(C[3]C[3,3]CHH)(H)2{1|H<2>,2|C<4>,5|H<1>}	C[3x3](C[3x3,4]C[3,3]2C[3x3]C[4]2C[6])(C[3x3]C[3x3,4]C[3,3]C[3]HH)(C[3,3]C[3x3,4]H[3]HH)(H[3]C[3,3]){1|H<2>,3|C<4>,5|H<1>}	67.5075	0.000	1	67.5075	0.000	1	67.5075	0.000	1	67.5075	0.000	1	67.5075	0.000	1	67.5075	0.000	1
238	362	486	4:SPD7_SP3_SPD6	C[6x3,4,4]	C[4x3,4,4,5]	C[3,4x4,5]	6:5:4:4:3:2:1:	7:5:4:3:2:1:	7:4:3:5:	C[4x3,4,4,5]-6:C[4x3,4,4,5]-5:C[3,4x4,5]-4:O[4x3,4,4]-4:H[3,3]-3:H[3]-2:H-1:	C[6x3,4,4]-7:C[4x3,4,4,5]-5:O[4x3,4,4]-4:H[3,4,4,5]-3:H[3]-2:H-1:	C[6x3,4,4]-7:O[4x3,4,4]-4:H[3,4,4,5]-3:C[4,4,5]-5:	C[6x3,4,4](C[4x3,4,4,5]C[4x3,4,4,5]H[3,4,4,5]O[4x3,4,4]H[3]H)(C[4x3,4,4,5]C[4x3,4,4,5]O[4x3,4,4]C[4,4,5]H[3,3])(C[3,4x4,5]H[3,4,4,5]O[4x3,4,4]C[4,4,5])(O[4x3,4,4]C[4x3,4,4,5]2C[3,4x4,5])(H[3,3]C[4x3,4,4,5]H[3])(H[3]H[3,3])(H)	C[4x3,4,4,5](C[6x3,4,4]C[4x3,4,4,5]C[3,4x4,5]O[4x3,4,4]H[3,3]H[3]H)(C[4x3,4,4,5]C[6x3,4,4]O[4x3,4,4]C[4,4,5]H[3,3])(O[4x3,4,4]C[4x3,4,4,5]C[3,4x4,5]C[6x3,4,4])(H[3,4,4,5]C[3,4x4,5]H[3])(H[3]H[3,4,4,5])(H)	C[3,4x4,5](C[6x3,4,4]C[4x3,4,4,5]2O[4x3,4,4]H[3,3]H[3]H)(O[4x3,4,4]C[4x3,4,4,5]2C[6x3,4,4])(H[3,4,4,5]C[4x3,4,4,5]H[3])(C[4,4,5]C[4x3,4,4,5]HHO)	C[6x3,4,4](C[4x3,4,4,5]C[4x3,4,4,5]H[3,4,4,5]O[4x3,4,4]H[3]H)(C[4x3,4,4,5]C[4x3,4,4,5]O[4x3,4,4]C[4,4,5]H[3,3])(C[3,4x4,5]H[3,4,4,5]O[4x3,4,4]C[4,4,5])(O[4x3,4,4]C[4x3,4,4,5]2C[3,4x4,5])(H[3,3]C[4x3,4,4,5]H[3])(H[3]H[3,3])(H){1|O<2>,2|H<1>}	C[4x3,4,4,5](C[6x3,4,4]C[4x3,4,4,5]C[3,4x4,5]O[4x3,4,4]H[3,3]H[3]H)(C[4x3,4,4,5]C[6x3,4,4]O[4x3,4,4]C[4,4,5]H[3,3])(O[4x3,4,4]C[4x3,4,4,5]C[3,4x4,5]C[6x3,4,4])(H[3,4,4,5]C[3,4x4,5]H[3])(H[3]H[3,4,4,5])(H){1|O<2>,2|H<1>}	C[3,4x4,5](C[6x3,4,4]C[4x3,4,4,5]2O[4x3,4,4]H[3,3]H[3]H)(O[4x3,4,4]C[4x3,4,4,5]2C[6x3,4,4])(H[3,4,4,5]C[4x3,4,4,5]H[3])(C[4,4,5]C[4x3,4,4,5]HHO){1|H<1>}	36.9609	0.000	1	36.9609	0.000	1	36.9609	0.000	1	36.9609	0.000	1	36.9609	0.000	1	36.9609	0.000	1
238	362	643	0:SPD7_SP2_SPD6	C[3x3,3x4]	C[3,6x4]	C[6a]	6:7:7:5:6:6:3:	7:3:2:2:2:1:	7:3:3:	C[3,6x4]-6:C[4x3]-7:C[4x3]-7:C[6x4]-5:C[3x3]-6:C[3x3]-6:C[6a]-3:	C[3x3,3x4]-7:H[3,3x4]-3:H[3]-2:H[3x4]-2:H[3x4]-2:H-1:	C[3x3,3x4]-7:C[6a]-3:C[6a]-3:	C[3x3,3x4](C[3,6x4]H[3,3x4]H[3x4]2H[3]H)(C[4x3]C[3x3]C[4x3]H[3]2HH)2(C[6x4]H[3,3x4]H[3x4]2H)(C[3x3]C[4x3]H[3]2HH)2(C[6a]C[6a]2)	C[3,6x4](C[3x3,3x4]C[3x3]2C[4x3]2C[6x4]C[6a])(H[3,3x4]C[6x4]H[3])(H[3]H[3,3x4])(H[3x4]C[6x4])2(H)	C[6a](C[3x3,3x4]C[3,6x4]C[3x3]2C[4x3]2C[6x4])(C[6a]C[6a]H)2	C[3x3,3x4](C[3,6x4]H[3,3x4]H[3x4]2H[3]H)(C[4x3]C[3x3]C[4x3]H[3]2HH)2(C[6x4]H[3,3x4]H[3x4]2H)(C[3x3]C[4x3]H[3]2HH)2(C[6a]C[6a]2){2|C<3>,2|H<1>}	C[3,6x4](C[3x3,3x4]C[3x3]2C[4x3]2C[6x4]C[6a])(H[3,3x4]C[6x4]H[3])(H[3]H[3,3x4])(H[3x4]C[6x4])2(H){2|C<3>,4|H<2>,9|H<1>}	C[6a](C[3x3,3x4]C[3,6x4]C[3x3]2C[4x3]2C[6x4])(C[6a]C[6a]H)2{10|H<1>,1|C<3>,1|H<3>,2|C<4>,7|H<2>}	113.1560	0.000	1	113.1560	0.000	1	113.1560	0.000	1	113.1560	0.000	1	113.1560	0.000	1	109.7592	3.747	5
238	362	643	0:SPD7_SP2_SPD6	C[3x3,3x4]	C[3x3]	C[6a]	6:7:7:5:6:6:3:	7:7:2:2:1:1:	7:3:3:	C[3,6x4]-6:C[4x3]-7:C[4x3]-7:C[6x4]-5:C[3x3]-6:C[3x3]-6:C[6a]-3:	C[3x3,3x4]-7:C[4x3]-7:H[3]-2:H[3]-2:H-1:H-1:	C[3x3,3x4]-7:C[6a]-3:C[6a]-3:	C[3x3,3x4](C[3,6x4]H[3,3x4]H[3x4]2H[3]H)(C[4x3]C[3x3]C[4x3]H[3]2HH)2(C[6x4]H[3,3x4]H[3x4]2H)(C[3x3]C[4x3]H[3]2HH)2(C[6a]C[6a]2)	C[3x3](C[3x3,3x4]C[3,6x4]C[3x3]C[4x3]2C[6x4]C[6a])(C[4x3]C[3x3,3x4]C[4x3]H[3]2HH)(H[3]C[4x3])2(H)2	C[6a](C[3x3,3x4]C[3,6x4]C[3x3]2C[4x3]2C[6x4])(C[6a]C[6a]H)2	C[3x3,3x4](C[3,6x4]H[3,3x4]H[3x4]2H[3]H)(C[4x3]C[3x3]C[4x3]H[3]2HH)2(C[6x4]H[3,3x4]H[3x4]2H)(C[3x3]C[4x3]H[3]2HH)2(C[6a]C[6a]2){2|C<3>,2|H<1>}	C[3x3](C[3x3,3x4]C[3,6x4]C[3x3]C[4x3]2C[6x4]C[6a])(C[4x3]C[3x3,3x4]C[4x3]H[3]2HH)(H[3]C[4x3])2(H)2{1|H<3>,2|C<3>,5|H<2>,6|H<1>}	C[6a](C[3x3,3x4]C[3,6x4]C[3x3]2C[4x3]2C[6x4])(C[6a]C[6a]H)2{10|H<1>,1|C<3>,1|H<3>,2|C<4>,7|H<2>}	108.7590	0.580	2	108.7590	0.336	2	108.7590	0.336	2	108.7590	0.336	2	108.7590	0.336	2	109.7592	3.747	5
238	362	643	0:SPD7_SP2_SPD6	C[6x3]	C[3x3,6]	C[6a]	8:6:7:7:6:7:3:	7:8:7:3:1:1:	7:3:3:	C[5x3,6]-8:C[3x3,6]-6:C[4x3,6]-7:C[4x3,6]-7:C[4x3,6]-6:C[3x3,6]-7:C[6a]-3:	C[6x3]-7:C[5x3,6]-8:C[4x3,6]-7:H[3,3]-3:H-1:H-1:	C[6x3]-7:C[6a]-3:C[6a]-3:	C[6x3](C[5x3,6]C[3x3,6]C[4x3,6]H[3,3]H[3]2HH)(C[3x3,6]C[4x3,6]C[5x3,6]H[3,3]HH)(C[4x3,6]C[3x3,6]C[4x3,6]H[3]2HH)2(C[4x3,6]C[3x3,6]C[5x3,6]H[3]2H)(C[3x3,6]C[4x3,6]2H[3]H3)(C[6a]C[6a]2)	C[3x3,6](C[6x3]C[3x3,6]C[4x3,6]3C[5x3,6]C[6a])(C[5x3,6]C[4x3,6]C[6x3]H[3,3]H[3]2HH)(C[4x3,6]C[4x3,6]C[6x3]H[3]2HH)(H[3,3]C[5x3,6]H[3])(H)2	C[6a](C[6x3]C[3x3,6]2C[4x3,6]3C[5x3,6])(C[6a]C[6a]H)2	C[6x3](C[5x3,6]C[3x3,6]C[4x3,6]H[3,3]H[3]2HH)(C[3x3,6]C[4x3,6]C[5x3,6]H[3,3]HH)(C[4x3,6]C[3x3,6]C[4x3,6]H[3]2HH)2(C[4x3,6]C[3x3,6]C[5x3,6]H[3]2H)(C[3x3,6]C[4x3,6]2H[3]H3)(C[6a]C[6a]2){2|C<3>,2|H<1>}	C[3x3,6](C[6x3]C[3x3,6]C[4x3,6]3C[5x3,6]C[6a])(C[5x3,6]C[4x3,6]C[6x3]H[3,3]H[3]2HH)(C[4x3,6]C[4x3,6]C[6x3]H[3]2HH)(H[3,3]C[5x3,6]H[3])(H)2{1|H<2>,2|C<3>,6|H<1>}	C[6a](C[6x3]C[3x3,6]2C[4x3,6]3C[5x3,6])(C[6a]C[6a]H)2{14|H<1>,1|C<3>,1|H<3>,5|H<2>}	108.7970	0.000	1	108.7970	0.000	1	108.7970	0.000	1	108.7970	0.000	1	108.7970	0.000	1	109.7592	3.747	5
238	362	643	0:SPD7_SP2_SPD6	C[6x3]	C[4x3,6]	C[6a]	8:6:7:7:6:7:3:	7:8:7:2:2:1:	7:3:3:	C[5x3,6]-8:C[3x3,6]-6:C[4x3,6]-7:C[4x3,6]-7:C[4x3,6]-6:C[3x3,6]-7:C[6a]-3:	C[6x3]-7:C[5x3,6]-8:C[3x3,6]-7:H[3]-2:H[3]-2:H-1:	C[6x3]-7:C[6a]-3:C[6a]-3:	C[6x3](C[5x3,6]C[3x3,6]C[4x3,6]H[3,3]H[3]2HH)(C[3x3,6]C[4x3,6]C[5x3,6]H[3,3]HH)(C[4x3,6]C[3x3,6]C[4x3,6]H[3]2HH)2(C[4x3,6]C[3x3,6]C[5x3,6]H[3]2H)(C[3x3,6]C[4x3,6]2H[3]H3)(C[6a]C[6a]2)	C[4x3,6](C[6x3]C[3x3,6]2C[4x3,6]2C[5x3,6]C[6a])(C[5x3,6]C[3x3,6]C[6x3]H[3,3]H[3]2HH)(C[3x3,6]C[4x3,6]C[6x3]H[3]H3)(H[3]C[3x3,6])(H[3]C[5x3,6])(H)	C[6a](C[6x3]C[3x3,6]2C[4x3,6]3C[5x3,6])(C[6a]C[6a]H)2	C[6x3](C[5x3,6]C[3x3,6]C[4x3,6]H[3,3]H[3]2HH)(C[3x3,6]C[4x3,6]C[5x3,6]H[3,3]HH)(C[4x3,6]C[3x3,6]C[4x3,6]H[3]2HH)2(C[4x3,6]C[3x3,6]C[5x3,6]H[3]2H)(C[3x3,6]C[4x3,6]2H[3]H3)(C[6a]C[6a]2){2|C<3>,2|H<1>}	C[4x3,6](C[6x3]C[3x3,6]2C[4x3,6]2C[5x3,6]C[6a])(C[5x3,6]C[3x3,6]C[6x3]H[3,3]H[3]2HH)(C[3x3,6]C[4x3,6]C[6x3]H[3]H3)(H[3]C[3x3,6])(H[3]C[5x3,6])(H){2|C<3>,2|H<2>,6|H<1>}	C[6a](C[6x3]C[3x3,6]2C[4x3,6]3C[5x3,6])(C[6a]C[6a]H)2{14|H<1>,1|C<3>,1|H<3>,5|H<2>}	109.3250	0.000	1	109.3250	0.000	1	109.3250	0.000	1	109.3250	0.000	1	109.3250	0.000	1	109.7592	3.747	5
238	362	762	0:SPD7_SP2_SPD6	C[6x3]	C[3,3,4,4,6]	C[6]	7:7:6:6:6:6:3:	7:6:6:2:2:1:	7:3:3:	C[4x3,4,6]-7:C[4x3,4,6]-7:C[3x3,4,6]-6:C[3x3,4,6]-6:C[3,3,4,4,6]-6:C[3,3,4,4,6]-6:C[6]-3:	C[6x3]-7:C[3x3,4,6]-6:C[3,3,4,4,6]-6:H[4]-2:H[4]-2:H-1:	C[6x3]-7:C[6]-3:C[6]-3:	C[6x3](C[4x3,4,6]C[3x3,4,6]C[4x3,4,6]H[3,3]H[3]H[4]H)2(C[3x3,4,6]C[3,3,4,4,6]C[4x3,4,6]H[3,3]H[4]H)2(C[3,3,4,4,6]C[3,3,4,4,6]C[3x3,4,6]H[4]2H)2(C[6]C[6]2)	C[3,3,4,4,6](C[6x3]C[3,3,4,4,6]C[3x3,4,6]2C[4x3,4,6]2C[6])(C[3x3,4,6]C[4x3,4,6]C[6x3]H[3,3]H[4]H)(C[3,3,4,4,6]C[3x3,4,6]C[6x3]H[4]2H)(H[4]H[4])2(H)	C[6](C[6x3]C[3,3,4,4,6]2C[3x3,4,6]2C[4x3,4,6]2)(C[6]C[6]H)2	C[6x3](C[4x3,4,6]C[3x3,4,6]C[4x3,4,6]H[3,3]H[3]H[4]H)2(C[3x3,4,6]C[3,3,4,4,6]C[4x3,4,6]H[3,3]H[4]H)2(C[3,3,4,4,6]C[3,3,4,4,6]C[3x3,4,6]H[4]2H)2(C[6]C[6]2){2|C<3>,2|H<1>}	C[3,3,4,4,6](C[6x3]C[3,3,4,4,6]C[3x3,4,6]2C[4x3,4,6]2C[6])(C[3x3,4,6]C[4x3,4,6]C[6x3]H[3,3]H[4]H)(C[3,3,4,4,6]C[3x3,4,6]C[6x3]H[4]2H)(H[4]H[4])2(H){1|H<3>,2|C<3>,3|H<1>,5|H<2>}	C[6](C[6x3]C[3,3,4,4,6]2C[3x3,4,6]2C[4x3,4,6]2)(C[6]C[6]H)2{10|H<2>,1|C<3>,2|C<4>,2|H<3>,6|H<1>}	109.2275	0.841	2	109.2275	0.707	2	109.2275	0.707	2	109.2275	0.707	2	109.2275	0.707	2	111.2320	5.599	4
238	362	762	0:SPD7_SP2_SPD6	C[6x3]	C[3x3,4,6]	C[6]	7:7:6:6:6:6:3:	7:7:6:3:2:1:	7:3:3:	C[4x3,4,6]-7:C[4x3,4,6]-7:C[3x3,4,6]-6:C[3x3,4,6]-6:C[3,3,4,4,6]-6:C[3,3,4,4,6]-6:C[6]-3:	C[6x3]-7:C[4x3,4,6]-7:C[3,3,4,4,6]-6:H[3,3]-3:H[4]-2:H-1:	C[6x3]-7:C[6]-3:C[6]-3:	C[6x3](C[4x3,4,6]C[3x3,4,6]C[4x3,4,6]H[3,3]H[3]H[4]H)2(C[3x3,4,6]C[3,3,4,4,6]C[4x3,4,6]H[3,3]H[4]H)2(C[3,3,4,4,6]C[3,3,4,4,6]C[3x3,4,6]H[4]2H)2(C[6]C[6]2)	C[3x3,4,6](C[6x3]C[3,3,4,4,6]2C[3x3,4,6]C[4x3,4,6]2C[6])(C[4x3,4,6]C[4x3,4,6]C[6x3]H[3,3]H[3]H[4]H)(C[3,3,4,4,6]C[3,3,4,4,6]C[6x3]H[4]2H)(H[3,3]C[4x3,4,6]H[3])(H[4]H[4])(H)	C[6](C[6x3]C[3,3,4,4,6]2C[3x3,4,6]2C[4x3,4,6]2)(C[6]C[6]H)2	C[6x3](C[4x3,4,6]C[3x3,4,6]C[4x3,4,6]H[3,3]H[3]H[4]H)2(C[3x3,4,6]C[3,3,4,4,6]C[4x3,4,6]H[3,3]H[4]H)2(C[3,3,4,4,6]C[3,3,4,4,6]C[3x3,4,6]H[4]2H)2(C[6]C[6]2){2|C<3>,2|H<1>}	C[3x3,4,6](C[6x3]C[3,3,4,4,6]2C[3x3,4,6]C[4x3,4,6]2C[6])(C[4x3,4,6]C[4x3,4,6]C[6x3]H[3,3]H[3]H[4]H)(C[3,3,4,4,6]C[3,3,4,4,6]C[6x3]H[4]2H)(H[3,3]C[4x3,4,6]H[3])(H[4]H[4])(H){1|H<3>,2|C<3>,3|H<1>,5|H<2>}	C[6](C[6x3]C[3,3,4,4,6]2C[3x3,4,6]2C[4x3,4,6]2)(C[6]C[6]H)2{10|H<2>,1|C<3>,2|C<4>,2|H<3>,6|H<1>}	113.2365	0.131	2	113.2365	0.017	2	113.2365	0.017	2	113.2365	0.017	2	113.2365	0.017	2	111.2320	5.599	4
238	362	778	0:SPD7_SPD5_SPD6	C[3x3,4]	C[3x3]	C[3,3]	6:4:5:3:4:4:2:	7:4:3:5:1:1:	7:4:2:1:1:	C[3x3]-6:C[3x3]-4:C[3,3]-5:C[3,3]-3:C[6]-4:C[4]-4:C[4]-2:	C[3x3,4]-7:C[3x3]-4:C[3,3]-3:C[3]-5:H-1:H-1:	C[3x3,4]-7:C[3x3]-4:H[3]-2:H-1:H-1:	C[3x3,4](C[3x3]C[3,3]C[3x3]C[3]HH)(C[3x3]C[3,3]C[3x3]H[3])(C[3,3]C[3x3]H[3]HH)(C[3,3]C[3x3]C[3])(C[6]C[3,6]2H)(C[4]H[4]HH)(C[4]H[4])	C[3x3](C[3x3,4]C[3,3]2C[3x3]C[4]2C[6])(C[3x3]C[3x3,4]C[3,3]H[3])(C[3,3]C[3x3,4]C[3])(C[3]C[3,3]CHH)(H)2	C[3,3](C[3x3,4]C[3,3]C[3x3]2C[4]2C[6])(C[3x3]C[3x3,4]C[3x3]H[3])(H[3]C[3x3])(H)2	C[3x3,4](C[3x3]C[3,3]C[3x3]C[3]HH)(C[3x3]C[3,3]C[3x3]H[3])(C[3,3]C[3x3]H[3]HH)(C[3,3]C[3x3]C[3])(C[6]C[3,6]2H)(C[4]H[4]HH)(C[4]H[4]){2|O<2>,3|H<1>,4|C<4>}	C[3x3](C[3x3,4]C[3,3]2C[3x3]C[4]2C[6])(C[3x3]C[3x3,4]C[3,3]H[3])(C[3,3]C[3x3,4]C[3])(C[3]C[3,3]CHH)(H)2{1|H<2>,2|C<4>,5|H<1>}	C[3,3](C[3x3,4]C[3,3]C[3x3]2C[4]2C[6])(C[3x3]C[3x3,4]C[3x3]H[3])(H[3]C[3x3])(H)2{1|C<5>,1|H<2>,2|C<4>,5|H<1>}	105.8140	0.000	1	105.8140	0.000	1	105.8140	0.000	1	105.8140	0.000	1	105.8140	0.000	1	121.8565	286.359	6
238	362	778	0:SPD7_SPD5_SPD6	C[4x3,4,4]	C[3,3]	C[3,3,3x4]	6:5:6:5:6:4:3:	7:6:6:1:1:1:	7:6:2:2:2:	C[3x3]-6:C[3,3,3x4]-5:C[3x3]-6:C[3,3]-5:C[3,3]-6:C[3x4]-4:C-3:	C[4x3,4,4]-7:C[3x3]-6:C[3x3]-6:H-1:H-1:H-1:	C[4x3,4,4]-7:C[3x3]-6:H[4,4]-2:H[4,4]-2:H[3]-2:	C[4x3,4,4](C[3x3]C[3,3,3x4]C[3,3]H[3]HH)(C[3,3,3x4]C[3x3]H[4,4]2H[3])(C[3x3]C[3,3]2H[3]HH)(C[3,3]C[3x3]H[3]HH)(C[3,3]C[3x3]2H3)(C[3x4]H[4,4]2H)(CNO)	C[3,3](C[4x3,4,4]C[3,3,3x4]C[3,3]C[3x3]2C[3x4]C)(C[3x3]C[3,3,3x4]C[4x3,4,4]H[3]HH)(C[3x3]C[4x3,4,4]C[3,3]H[3]HH)(H)3	C[3,3,3x4](C[4x3,4,4]C[3,3]2C[3x3]2C[3x4]C)(C[3x3]C[4x3,4,4]C[3,3]H[3]HH)(H[4,4]C[3x4])2(H[3]C[3x3])	C[4x3,4,4](C[3x3]C[3,3,3x4]C[3,3]H[3]HH)(C[3,3,3x4]C[3x3]H[4,4]2H[3])(C[3x3]C[3,3]2H[3]HH)(C[3,3]C[3x3]H[3]HH)(C[3,3]C[3x3]2H3)(C[3x4]H[4,4]2H)(CNO)	C[3,3](C[4x3,4,4]C[3,3,3x4]C[3,3]C[3x3]2C[3x4]C)(C[3x3]C[3,3,3x4]C[4x3,4,4]H[3]HH)(C[3x3]C[4x3,4,4]C[3,3]H[3]HH)(H)3{2|H<2>,3|H<1>}	C[3,3,3x4](C[4x3,4,4]C[3,3]2C[3x3]2C[3x4]C)(C[3x3]C[4x3,4,4]C[3,3]H[3]HH)(H[4,4]C[3x4])2(H[3]C[3x3]){1|H<2>,8|H<1>}	106.0020	0.000	1	106.0020	0.000	1	106.0020	0.000	1	106.0020	0.000	1	106.0020	0.000	1	121.8565	286.359	6
238	362	778	0:SPD7_SPD5_SPD6	C[4x3,4,4]	C[3,3]	C[3,3]	6:5:6:5:6:4:3:	7:6:6:1:1:1:	7:6:2:1:1:	C[3x3]-6:C[3,3,3x4]-5:C[3x3]-6:C[3,3]-5:C[3,3]-6:C[3x4]-4:C-3:	C[4x3,4,4]-7:C[3x3]-6:C[3x3]-6:H-1:H-1:H-1:	C[4x3,4,4]-7:C[3x3]-6:H[3]-2:H-1:H-1:	C[4x3,4,4](C[3x3]C[3,3,3x4]C[3,3]H[3]HH)(C[3,3,3x4]C[3x3]H[4,4]2H[3])(C[3x3]C[3,3]2H[3]HH)(C[3,3]C[3x3]H[3]HH)(C[3,3]C[3x3]2H3)(C[3x4]H[4,4]2H)(CNO)	C[3,3](C[4x3,4,4]C[3,3,3x4]C[3,3]C[3x3]2C[3x4]C)(C[3x3]C[3,3,3x4]C[4x3,4,4]H[3]HH)(C[3x3]C[4x3,4,4]C[3,3]H[3]HH)(H)3	C[3,3](C[4x3,4,4]C[3,3,3x4]C[3,3]C[3x3]2C[3x4]C)(C[3x3]C[4x3,4,4]C[3,3]H[3]HH)(H[3]C[3x3])(H)2	C[4x3,4,4](C[3x3]C[3,3,3x4]C[3,3]H[3]HH)(C[3,3,3x4]C[3x3]H[4,4]2H[3])(C[3x3]C[3,3]2H[3]HH)(C[3,3]C[3x3]H[3]HH)(C[3,3]C[3x3]2H3)(C[3x4]H[4,4]2H)(CNO)	C[3,3](C[4x3,4,4]C[3,3,3x4]C[3,3]C[3x3]2C[3x4]C)(C[3x3]C[3,3,3x4]C[4x3,4,4]H[3]HH)(C[3x3]C[4x3,4,4]C[3,3]H[3]HH)(H)3{2|H<2>,3|H<1>}	C[3,3](C[4x3,4,4]C[3,3,3x4]C[3,3]C[3x3]2C[3x4]C)(C[3x3]C[4x3,4,4]C[3,3]H[3]HH)(H[3]C[3x3])(H)2{3|H<2>,6|H<1>}	118.6160	0.000	1	118.6160	0.000	1	118.6160	0.000	1	118.6160	0.000	1	118.6160	0.000	1	121.8565	286.359	6
238	362	778	0:SPD7_SPD5_SPD6	C[4x3,4,4]	C[3x3]	C[3,3,3x4]	6:5:6:5:6:4:3:	7:6:5:2:1:1:	7:6:2:2:2:	C[3x3]-6:C[3,3,3x4]-5:C[3x3]-6:C[3,3]-5:C[3,3]-6:C[3x4]-4:C-3:	C[4x3,4,4]-7:C[3,3]-6:C[3,3]-5:H[3]-2:H-1:H-1:	C[4x3,4,4]-7:C[3x3]-6:H[4,4]-2:H[4,4]-2:H[3]-2:	C[4x3,4,4](C[3x3]C[3,3,3x4]C[3,3]H[3]HH)(C[3,3,3x4]C[3x3]H[4,4]2H[3])(C[3x3]C[3,3]2H[3]HH)(C[3,3]C[3x3]H[3]HH)(C[3,3]C[3x3]2H3)(C[3x4]H[4,4]2H)(CNO)	C[3x3](C[4x3,4,4]C[3,3,3x4]C[3,3]2C[3x3]C[3x4]C)(C[3,3]C[4x3,4,4]C[3x3]H3)(C[3,3]C[4x3,4,4]H[3]HH)(H[3]C[3,3])(H)2	C[3,3,3x4](C[4x3,4,4]C[3,3]2C[3x3]2C[3x4]C)(C[3x3]C[4x3,4,4]C[3,3]H[3]HH)(H[4,4]C[3x4])2(H[3]C[3x3])	C[4x3,4,4](C[3x3]C[3,3,3x4]C[3,3]H[3]HH)(C[3,3,3x4]C[3x3]H[4,4]2H[3])(C[3x3]C[3,3]2H[3]HH)(C[3,3]C[3x3]H[3]HH)(C[3,3]C[3x3]2H3)(C[3x4]H[4,4]2H)(CNO)	C[3x3](C[4x3,4,4]C[3,3,3x4]C[3,3]2C[3x3]C[3x4]C)(C[3,3]C[4x3,4,4]C[3x3]H3)(C[3,3]C[4x3,4,4]H[3]HH)(H[3]C[3,3])(H)2{3|H<1>,3|H<2>}	C[3,3,3x4](C[4x3,4,4]C[3,3]2C[3x3]2C[3x4]C)(C[3x3]C[4x3,4,4]C[3,3]H[3]HH)(H[4,4]C[3x4])2(H[3]C[3x3]){1|H<2>,8|H<1>}	142.7350	0.000	1	142.7350	0.000	1	142.7350	0.000	1	142.7350	0.000	1	142.7350	0.000	1	121.8565	286.359	6
238	362	778	0:SPD7_SPD5_SPD6	C[4x3,4,4]	C[3x3]	C[3,3]	6:5:6:5:6:4:3:	7:5:6:2:1:1:	7:6:2:1:1:	C[3x3]-6:C[3,3,3x4]-5:C[3x3]-6:C[3,3]-5:C[3,3]-6:C[3x4]-4:C-3:	C[4x3,4,4]-7:C[3,3,3x4]-5:C[3,3]-6:H[3]-2:H-1:H-1:	C[4x3,4,4]-7:C[3x3]-6:H[3]-2:H-1:H-1:	C[4x3,4,4](C[3x3]C[3,3,3x4]C[3,3]H[3]HH)(C[3,3,3x4]C[3x3]H[4,4]2H[3])(C[3x3]C[3,3]2H[3]HH)(C[3,3]C[3x3]H[3]HH)(C[3,3]C[3x3]2H3)(C[3x4]H[4,4]2H)(CNO)	C[3x3](C[4x3,4,4]C[3,3,3x4]C[3,3]2C[3x3]C[3x4]C)(C[3,3,3x4]C[4x3,4,4]H[4,4]2H[3])(C[3,3]C[4x3,4,4]C[3x3]H3)(H[3]C[3,3,3x4])(H)2	C[3,3](C[4x3,4,4]C[3,3,3x4]C[3,3]C[3x3]2C[3x4]C)(C[3x3]C[4x3,4,4]C[3,3]H[3]HH)(H[3]C[3x3])(H)2	C[4x3,4,4](C[3x3]C[3,3,3x4]C[3,3]H[3]HH)(C[3,3,3x4]C[3x3]H[4,4]2H[3])(C[3x3]C[3,3]2H[3]HH)(C[3,3]C[3x3]H[3]HH)(C[3,3]C[3x3]2H3)(C[3x4]H[4,4]2H)(CNO)	C[3x3](C[4x3,4,4]C[3,3,3x4]C[3,3]2C[3x3]C[3x4]C)(C[3,3,3x4]C[4x3,4,4]H[4,4]2H[3])(C[3,3]C[4x3,4,4]C[3x3]H3)(H[3]C[3,3,3x4])(H)2{1|H<2>,5|H<1>}	C[3,3](C[4x3,4,4]C[3,3,3x4]C[3,3]C[3x3]2C[3x4]C)(C[3x3]C[4x3,4,4]C[3,3]H[3]HH)(H[3]C[3x3])(H)2{3|H<2>,6|H<1>}	142.6790	0.000	1	142.6790	0.000	1	142.6790	0.000	1	142.6790	0.000	1	142.6790	0.000	1	121.8565	286.359	6
238	362	778	0:SPD7_SPD5_SPD6	C[4x3]	C[3x3]	C[3,3]	6:5:5:3:2:1:1:	7:5:6:3:1:1:	7:5:3:1:1:	C[3x3]-6:C[3,3]-5:N[3x3]-5:H[3,3]-3:H[3]-2:H-1:H-1:	C[4x3]-7:N[3x3]-5:C[3x3]-6:H[3,3]-3:H-1:H-1:	C[4x3]-7:N[3x3]-5:H[3,3]-3:H-1:H-1:	C[4x3](C[3x3]C[3x3]H[3,3]N[3x3]HH)(C[3,3]H[3,3]N[3x3]HH)(N[3x3]C[3,3]C[3x3]2C)(H[3,3]C[3,3]H[3])(H[3]H[3,3])(H)2	C[3x3](C[4x3]C[3,3]H[3,3]N[3x3]H[3]HH)(N[3x3]C[3,3]C[3x3]C[4x3]C)(C[3x3]H[3,3]N[3x3]H[3]HH)(H[3,3]C[3x3]H[3])(H)2	C[3,3](C[4x3]C[3x3]H[3,3]N[3x3]H[3]HH)(N[3x3]C[3x3]2C[4x3]C)(H[3,3]C[4x3]H[3])(H)2	C[4x3](C[3x3]C[3x3]H[3,3]N[3x3]HH)(C[3,3]H[3,3]N[3x3]HH)(N[3x3]C[3,3]C[3x3]2C)(H[3,3]C[3,3]H[3])(H[3]H[3,3])(H)2{1|H<2>,2|H<1>}	C[3x3](C[4x3]C[3,3]H[3,3]N[3x3]H[3]HH)(N[3x3]C[3,3]C[3x3]C[4x3]C)(C[3x3]H[3,3]N[3x3]H[3]HH)(H[3,3]C[3x3]H[3])(H)2{2|H<1>}	C[3,3](C[4x3]C[3x3]H[3,3]N[3x3]H[3]HH)(N[3x3]C[3x3]2C[4x3]C)(H[3,3]C[4x3]H[3])(H)2{1|H<2>,1|H<3>,4|H<1>}	115.2930	0.000	1	115.2930	0.000	1	115.2930	0.000	1	115.2930	0.000	1	115.2930	0.000	1	121.8565	286.359	6
238	362	778	3:SPD7_SPD5_SPD6	C[4x3,4,4]	C[3x3]	C[3,3,3x4]	6:5:6:5:6:4:3:	7:5:6:2:1:1:	7:6:2:2:2:	C[3x3]-6:C[3,3,3x4]-5:C[3x3]-6:C[3,3]-5:C[3,3]-6:C[3x4]-4:C-3:	C[4x3,4,4]-7:C[3,3,3x4]-5:C[3,3]-6:H[3]-2:H-1:H-1:	C[4x3,4,4]-7:C[3x3]-6:H[4,4]-2:H[4,4]-2:H[3]-2:	C[4x3,4,4](C[3x3]C[3,3,3x4]C[3,3]H[3]HH)(C[3,3,3x4]C[3x3]H[4,4]2H[3])(C[3x3]C[3,3]2H[3]HH)(C[3,3]C[3x3]H[3]HH)(C[3,3]C[3x3]2H3)(C[3x4]H[4,4]2H)(CNO)	C[3x3](C[4x3,4,4]C[3,3,3x4]C[3,3]2C[3x3]C[3x4]C)(C[3,3,3x4]C[4x3,4,4]H[4,4]2H[3])(C[3,3]C[4x3,4,4]C[3x3]H3)(H[3]C[3,3,3x4])(H)2	C[3,3,3x4](C[4x3,4,4]C[3,3]2C[3x3]2C[3x4]C)(C[3x3]C[4x3,4,4]C[3,3]H[3]HH)(H[4,4]C[3x4])2(H[3]C[3x3])	C[4x3,4,4](C[3x3]C[3,3,3x4]C[3,3]H[3]HH)(C[3,3,3x4]C[3x3]H[4,4]2H[3])(C[3x3]C[3,3]2H[3]HH)(C[3,3]C[3x3]H[3]HH)(C[3,3]C[3x3]2H3)(C[3x4]H[4,4]2H)(CNO)	C[3x3](C[4x3,4,4]C[3,3,3x4]C[3,3]2C[3x3]C[3x4]C)(C[3,3,3x4]C[4x3,4,4]H[4,4]2H[3])(C[3,3]C[4x3,4,4]C[3x3]H3)(H[3]C[3,3,3x4])(H)2{1|H<2>,5|H<1>}	C[3,3,3x4](C[4x3,4,4]C[3,3]2C[3x3]2C[3x4]C)(C[3x3]C[4x3,4,4]C[3,3]H[3]HH)(H[4,4]C[3x4])2(H[3]C[3x3]){1|H<2>,8|H<1>}	47.1666	0.000	1	47.1666	0.000	1	47.1666	0.000	1	47.1666	0.000	1	47.1666	0.000	1	55.9068	126.857	3
238	362	778	3:SPD7_SPD5_SPD6	C[4x3,4,4]	C[3x3]	C[3,3]	6:5:6:5:6:4:3:	7:6:5:2:1:1:	7:6:2:1:1:	C[3x3]-6:C[3,3,3x4]-5:C[3x3]-6:C[3,3]-5:C[3,3]-6:C[3x4]-4:C-3:	C[4x3,4,4]-7:C[3,3]-6:C[3,3]-5:H[3]-2:H-1:H-1:	C[4x3,4,4]-7:C[3x3]-6:H[3]-2:H-1:H-1:	C[4x3,4,4](C[3x3]C[3,3,3x4]C[3,3]H[3]HH)(C[3,3,3x4]C[3x3]H[4,4]2H[3])(C[3x3]C[3,3]2H[3]HH)(C[3,3]C[3x3]H[3]HH)(C[3,3]C[3x3]2H3)(C[3x4]H[4,4]2H)(CNO)	C[3x3](C[4x3,4,4]C[3,3,3x4]C[3,3]2C[3x3]C[3x4]C)(C[3,3]C[4x3,4,4]C[3x3]H3)(C[3,3]C[4x3,4,4]H[3]HH)(H[3]C[3,3])(H)2	C[3,3](C[4x3,4,4]C[3,3,3x4]C[3,3]C[3x3]2C[3x4]C)(C[3x3]C[4x3,4,4]C[3,3]H[3]HH)(H[3]C[3x3])(H)2	C[4x3,4,4](C[3x3]C[3,3,3x4]C[3,3]H[3]HH)(C[3,3,3x4]C[3x3]H[4,4]2H[3])(C[3x3]C[3,3]2H[3]HH)(C[3,3]C[3x3]H[3]HH)(C[3,3]C[3x3]2H3)(C[3x4]H[4,4]2H)(CNO)	C[3x3](C[4x3,4,4]C[3,3,3x4]C[3,3]2C[3x3]C[3x4]C)(C[3,3]C[4x3,4,4]C[3x3]H3)(C[3,3]C[4x3,4,4]H[3]HH)(H[3]C[3,3])(H)2{3|H<1>,3|H<2>}	C[3,3](C[4x3,4,4]C[3,3,3x4]C[3,3]C[3x3]2C[3x4]C)(C[3x3]C[4x3,4,4]C[3,3]H[3]HH)(H[3]C[3x3])(H)2{3|H<2>,6|H<1>}	51.9365	0.000	1	51.9365	0.000	1	51.9365	0.000	1	51.9365	0.000	1	51.9365	0.000	1	55.9068	126.857	3
238	362	778	3:SPD7_SPD5_SPD6	C[6x3,4,4]	C[4x3,4,4,5]	C[4x3,4,4,5]	6:5:4:4:3:2:1:	7:5:4:3:2:1:	7:6:4:5:3:	C[4x3,4,4,5]-6:C[4x3,4,4,5]-5:C[3,4x4,5]-4:O[4x3,4,4]-4:H[3,3]-3:H[3]-2:H-1:	C[6x3,4,4]-7:C[4x3,4,4,5]-5:O[4x3,4,4]-4:H[3,4,4,5]-3:H[3]-2:H-1:	C[6x3,4,4]-7:C[4x3,4,4,5]-6:O[4x3,4,4]-4:C[4,4,5]-5:H[3,3]-3:	C[6x3,4,4](C[4x3,4,4,5]C[4x3,4,4,5]H[3,4,4,5]O[4x3,4,4]H[3]H)(C[4x3,4,4,5]C[4x3,4,4,5]O[4x3,4,4]C[4,4,5]H[3,3])(C[3,4x4,5]H[3,4,4,5]O[4x3,4,4]C[4,4,5])(O[4x3,4,4]C[4x3,4,4,5]2C[3,4x4,5])(H[3,3]C[4x3,4,4,5]H[3])(H[3]H[3,3])(H)	C[4x3,4,4,5](C[6x3,4,4]C[4x3,4,4,5]C[3,4x4,5]O[4x3,4,4]H[3,3]H[3]H)(C[4x3,4,4,5]C[6x3,4,4]O[4x3,4,4]C[4,4,5]H[3,3])(O[4x3,4,4]C[4x3,4,4,5]C[3,4x4,5]C[6x3,4,4])(H[3,4,4,5]C[3,4x4,5]H[3])(H[3]H[3,4,4,5])(H)	C[4x3,4,4,5](C[6x3,4,4]C[4x3,4,4,5]C[3,4x4,5]O[4x3,4,4]H[3,3]H[3]H)(C[4x3,4,4,5]C[6x3,4,4]H[3,4,4,5]O[4x3,4,4]H[3]H)(O[4x3,4,4]C[4x3,4,4,5]C[3,4x4,5]C[6x3,4,4])(C[4,4,5]C[3,4x4,5]HHO)(H[3,3]C[6x3,4,4]H[3])	C[6x3,4,4](C[4x3,4,4,5]C[4x3,4,4,5]H[3,4,4,5]O[4x3,4,4]H[3]H)(C[4x3,4,4,5]C[4x3,4,4,5]O[4x3,4,4]C[4,4,5]H[3,3])(C[3,4x4,5]H[3,4,4,5]O[4x3,4,4]C[4,4,5])(O[4x3,4,4]C[4x3,4,4,5]2C[3,4x4,5])(H[3,3]C[4x3,4,4,5]H[3])(H[3]H[3,3])(H){1|O<2>,2|H<1>}	C[4x3,4,4,5](C[6x3,4,4]C[4x3,4,4,5]C[3,4x4,5]O[4x3,4,4]H[3,3]H[3]H)(C[4x3,4,4,5]C[6x3,4,4]O[4x3,4,4]C[4,4,5]H[3,3])(O[4x3,4,4]C[4x3,4,4,5]C[3,4x4,5]C[6x3,4,4])(H[3,4,4,5]C[3,4x4,5]H[3])(H[3]H[3,4,4,5])(H){1|O<2>,2|H<1>}	C[4x3,4,4,5](C[6x3,4,4]C[4x3,4,4,5]C[3,4x4,5]O[4x3,4,4]H[3,3]H[3]H)(C[4x3,4,4,5]C[6x3,4,4]H[3,4,4,5]O[4x3,4,4]H[3]H)(O[4x3,4,4]C[4x3,4,4,5]C[3,4x4,5]C[6x3,4,4])(C[4,4,5]C[3,4x4,5]HHO)(H[3,3]C[6x3,4,4]H[3])	68.6174	0.000	1	68.6174	0.000	1	68.6174	0.000	1	68.6174	0.000	1	68.6174	0.000	1	55.9068	126.857	3
238	362	782	3:SPD7_SPD5_SPD6	C[4x3]	C[3x3]	N[3x3]	6:5:5:3:2:1:1:	7:5:6:3:1:1:	7:6:6:5:2:	C[3x3]-6:C[3,3]-5:N[3x3]-5:H[3,3]-3:H[3]-2:H-1:H-1:	C[4x3]-7:N[3x3]-5:C[3x3]-6:H[3,3]-3:H-1:H-1:	C[4x3]-7:C[3x3]-6:C[3x3]-6:C[3,3]-5:C-2:	C[4x3](C[3x3]C[3x3]H[3,3]N[3x3]HH)(C[3,3]H[3,3]N[3x3]HH)(N[3x3]C[3,3]C[3x3]2C)(H[3,3]C[3,3]H[3])(H[3]H[3,3])(H)2	C[3x3](C[4x3]C[3,3]H[3,3]N[3x3]H[3]HH)(N[3x3]C[3,3]C[3x3]C[4x3]C)(C[3x3]H[3,3]N[3x3]H[3]HH)(H[3,3]C[3x3]H[3])(H)2	N[3x3](C[4x3]C[3,3]C[3x3]H[3,3]H[3]HH)(C[3x3]C[3x3]C[4x3]H[3,3]HH)(C[3x3]C[3x3]H[3,3]H[3]HH)(C[3,3]C[4x3]H[3,3]HH)(CN)	C[4x3](C[3x3]C[3x3]H[3,3]N[3x3]HH)(C[3,3]H[3,3]N[3x3]HH)(N[3x3]C[3,3]C[3x3]2C)(H[3,3]C[3,3]H[3])(H[3]H[3,3])(H)2{1|H<2>,2|H<1>}	C[3x3](C[4x3]C[3,3]H[3,3]N[3x3]H[3]HH)(N[3x3]C[3,3]C[3x3]C[4x3]C)(C[3x3]H[3,3]N[3x3]H[3]HH)(H[3,3]C[3x3]H[3])(H)2{2|H<1>}	N[3x3](C[4x3]C[3,3]C[3x3]H[3,3]H[3]HH)(C[3x3]C[3x3]C[4x3]H[3,3]HH)(C[3x3]C[3x3]H[3,3]H[3]HH)(C[3,3]C[4x3]H[3,3]HH)(CN)	53.3845	0.000	1	53.3845	0.000	1	53.3845	0.000	1	53.3845	0.000	1	53.3845	0.000	1	53.3845	0.000	1
238	362	794	0:SPD7_SPD5_SPD6	C[3x3,3x4]	C[3x3]	C[6x4]	6:7:7:5:6:6:3:	7:7:2:2:1:1:	7:3:2:2:1:	C[3,6x4]-6:C[4x3]-7:C[4x3]-7:C[6x4]-5:C[3x3]-6:C[3x3]-6:C[6a]-3:	C[3x3,3x4]-7:C[4x3]-7:H[3]-2:H[3]-2:H-1:H-1:	C[3x3,3x4]-7:H[3,3x4]-3:H[3x4]-2:H[3x4]-2:H-1:	C[3x3,3x4](C[3,6x4]H[3,3x4]H[3x4]2H[3]H)(C[4x3]C[3x3]C[4x3]H[3]2HH)2(C[6x4]H[3,3x4]H[3x4]2H)(C[3x3]C[4x3]H[3]2HH)2(C[6a]C[6a]2)	C[3x3](C[3x3,3x4]C[3,6x4]C[3x3]C[4x3]2C[6x4]C[6a])(C[4x3]C[3x3,3x4]C[4x3]H[3]2HH)(H[3]C[4x3])2(H)2	C[6x4](C[3x3,3x4]C[3,6x4]C[3x3]2C[4x3]2C[6a])(H[3,3x4]C[3,6x4]H[3])(H[3x4]C[3,6x4])2(H)	C[3x3,3x4](C[3,6x4]H[3,3x4]H[3x4]2H[3]H)(C[4x3]C[3x3]C[4x3]H[3]2HH)2(C[6x4]H[3,3x4]H[3x4]2H)(C[3x3]C[4x3]H[3]2HH)2(C[6a]C[6a]2){2|C<3>,2|H<1>}	C[3x3](C[3x3,3x4]C[3,6x4]C[3x3]C[4x3]2C[6x4]C[6a])(C[4x3]C[3x3,3x4]C[4x3]H[3]2HH)(H[3]C[4x3])2(H)2{1|H<3>,2|C<3>,5|H<2>,6|H<1>}	C[6x4](C[3x3,3x4]C[3,6x4]C[3x3]2C[4x3]2C[6a])(H[3,3x4]C[3,6x4]H[3])(H[3x4]C[3,6x4])2(H){2|C<3>,4|H<2>,9|H<1>}	90.0153	20.793	2	90.0153	432.342	2	90.0153	432.342	2	90.0153	432.342	2	90.0153	432.342	2	90.0153	432.342	2
238	362	794	4:SPD7_SPD5_SPD6	C[3x3,3x4,5,5]	C[3,3x4,4x5]	C[4x4,5,5]	6:6:5:6:2:2:1:	7:6:2:2:4:1:	7:5:2:2:1:	C[3,3x4,4x5]-6:C[3x3,4,5,5]-6:C[4x4,5,5]-5:C[4,5,5]-6:H[3]-2:H[3]-2:H-1:	C[3x3,3x4,5,5]-7:C[3x3,4,5,5]-6:H[4,4,5]-2:H[4,4,5]-2:C[4,5,5]-4:H-1:	C[3x3,3x4,5,5]-7:S[4,5,5]-5:H[4,4,5]-2:H[4,4,5]-2:H-1:	C[3x3,3x4,5,5](C[3,3x4,4x5]C[3x3,4,5,5]C[4,5,5]H[4,4,5]2H)(C[3x3,4,5,5]C[3,3x4,4x5]S[4,5,5]H[3]2H)(C[4x4,5,5]H[4,4,5]2S[4,5,5]H)(C[4,5,5]H[4,5]2H3)(H[3]C[3x3,4,5,5])2(H)	C[3,3x4,4x5](C[3x3,3x4,5,5]C[3x3,4,5,5]C[4x4,5,5]C[4,5,5]H[3]2H)(C[3x3,4,5,5]C[3x3,3x4,5,5]S[4,5,5]H[3]2H)(H[4,4,5]C[4x4,5,5])2(C[4,5,5]H[4,5]2H)(H)	C[4x4,5,5](C[3x3,3x4,5,5]C[3,3x4,4x5]C[3x3,4,5,5]C[4,5,5]H[3]2H)(S[4,5,5]C[3x3,4,5,5]C[5]OO)(H[4,4,5]C[3,3x4,4x5])2(H)	C[3x3,3x4,5,5](C[3,3x4,4x5]C[3x3,4,5,5]C[4,5,5]H[4,4,5]2H)(C[3x3,4,5,5]C[3,3x4,4x5]S[4,5,5]H[3]2H)(C[4x4,5,5]H[4,4,5]2S[4,5,5]H)(C[4,5,5]H[4,5]2H3)(H[3]C[3x3,4,5,5])2(H){1|C<4>,1|H<1>,2|O<1>}	C[3,3x4,4x5](C[3x3,3x4,5,5]C[3x3,4,5,5]C[4x4,5,5]C[4,5,5]H[3]2H)(C[3x3,4,5,5]C[3x3,3x4,5,5]S[4,5,5]H[3]2H)(H[4,4,5]C[4x4,5,5])2(C[4,5,5]H[4,5]2H)(H){1|C<4>,2|O<1>,4|H<1>}	C[4x4,5,5](C[3x3,3x4,5,5]C[3,3x4,4x5]C[3x3,4,5,5]C[4,5,5]H[3]2H)(S[4,5,5]C[3x3,4,5,5]C[5]OO)(H[4,4,5]C[3,3x4,4x5])2(H){2|H<2>,3|C<4>,6|H<1>}	37.2987	0.000	1	37.2987	0.000	1	37.2987	0.000	1	37.2987	0.000	1	37.2987	0.000	1	37.2186	12.656	3
238	362	794	4:SPD7_SPD5_SPD6	C[3x3,3x4,5,5]	C[3x3,4,5,5]	C[4x4,5,5]	6:6:5:6:2:2:1:	7:6:5:2:2:1:	7:5:2:2:1:	C[3,3x4,4x5]-6:C[3x3,4,5,5]-6:C[4x4,5,5]-5:C[4,5,5]-6:H[3]-2:H[3]-2:H-1:	C[3x3,3x4,5,5]-7:C[3,3x4,4x5]-6:S[4,5,5]-5:H[3]-2:H[3]-2:H-1:	C[3x3,3x4,5,5]-7:S[4,5,5]-5:H[4,4,5]-2:H[4,4,5]-2:H-1:	C[3x3,3x4,5,5](C[3,3x4,4x5]C[3x3,4,5,5]C[4,5,5]H[4,4,5]2H)(C[3x3,4,5,5]C[3,3x4,4x5]S[4,5,5]H[3]2H)(C[4x4,5,5]H[4,4,5]2S[4,5,5]H)(C[4,5,5]H[4,5]2H3)(H[3]C[3x3,4,5,5])2(H)	C[3x3,4,5,5](C[3x3,3x4,5,5]C[3,3x4,4x5]C[4x4,5,5]C[4,5,5]H[3]2H)(C[3,3x4,4x5]C[3x3,3x4,5,5]C[4,5,5]H[4,4,5]2H)(S[4,5,5]C[4x4,5,5]C[5]OO)(H[3]C[3x3,3x4,5,5])2(H)	C[4x4,5,5](C[3x3,3x4,5,5]C[3,3x4,4x5]C[3x3,4,5,5]C[4,5,5]H[3]2H)(S[4,5,5]C[3x3,4,5,5]C[5]OO)(H[4,4,5]C[3,3x4,4x5])2(H)	C[3x3,3x4,5,5](C[3,3x4,4x5]C[3x3,4,5,5]C[4,5,5]H[4,4,5]2H)(C[3x3,4,5,5]C[3,3x4,4x5]S[4,5,5]H[3]2H)(C[4x4,5,5]H[4,4,5]2S[4,5,5]H)(C[4,5,5]H[4,5]2H3)(H[3]C[3x3,4,5,5])2(H){1|C<4>,1|H<1>,2|O<1>}	C[3x3,4,5,5](C[3x3,3x4,5,5]C[3,3x4,4x5]C[4x4,5,5]C[4,5,5]H[3]2H)(C[3,3x4,4x5]C[3x3,3x4,5,5]C[4,5,5]H[4,4,5]2H)(S[4,5,5]C[4x4,5,5]C[5]OO)(H[3]C[3x3,3x4,5,5])2(H){2|C<4>,2|H<2>,6|H<1>}	C[4x4,5,5](C[3x3,3x4,5,5]C[3,3x4,4x5]C[3x3,4,5,5]C[4,5,5]H[3]2H)(S[4,5,5]C[3x3,4,5,5]C[5]OO)(H[4,4,5]C[3,3x4,4x5])2(H){2|H<2>,3|C<4>,6|H<1>}	40.7354	0.000	1	40.7354	0.000	1	40.7354	0.000	1	40.7354	0.000	1	40.7354	0.000	1	37.2186	12.656	3
238	362	794	4:SPD7_SPD5_SPD6	C[3x3,3x4]	C[3,6x4]	C[6x4]	6:7:7:5:6:6:3:	7:3:2:2:2:1:	7:3:2:2:1:	C[3,6x4]-6:C[4x3]-7:C[4x3]-7:C[6x4]-5:C[3x3]-6:C[3x3]-6:C[6a]-3:	C[3x3,3x4]-7:H[3,3x4]-3:H[3]-2:H[3x4]-2:H[3x4]-2:H-1:	C[3x3,3x4]-7:H[3,3x4]-3:H[3x4]-2:H[3x4]-2:H-1:	C[3x3,3x4](C[3,6x4]H[3,3x4]H[3x4]2H[3]H)(C[4x3]C[3x3]C[4x3]H[3]2HH)2(C[6x4]H[3,3x4]H[3x4]2H)(C[3x3]C[4x3]H[3]2HH)2(C[6a]C[6a]2)	C[3,6x4](C[3x3,3x4]C[3x3]2C[4x3]2C[6x4]C[6a])(H[3,3x4]C[6x4]H[3])(H[3]H[3,3x4])(H[3x4]C[6x4])2(H)	C[6x4](C[3x3,3x4]C[3,6x4]C[3x3]2C[4x3]2C[6a])(H[3,3x4]C[3,6x4]H[3])(H[3x4]C[3,6x4])2(H)	C[3x3,3x4](C[3,6x4]H[3,3x4]H[3x4]2H[3]H)(C[4x3]C[3x3]C[4x3]H[3]2HH)2(C[6x4]H[3,3x4]H[3x4]2H)(C[3x3]C[4x3]H[3]2HH)2(C[6a]C[6a]2){2|C<3>,2|H<1>}	C[3,6x4](C[3x3,3x4]C[3x3]2C[4x3]2C[6x4]C[6a])(H[3,3x4]C[6x4]H[3])(H[3]H[3,3x4])(H[3x4]C[6x4])2(H){2|C<3>,4|H<2>,9|H<1>}	C[6x4](C[3x3,3x4]C[3,6x4]C[3x3]2C[4x3]2C[6a])(H[3,3x4]C[3,6x4]H[3])(H[3x4]C[3,6x4])2(H){2|C<3>,4|H<2>,9|H<1>}	33.6217	0.000	1	33.6217	0.000	1	33.6217	0.000	1	33.6217	0.000	1	33.6217	0.000	1	37.2186	12.656	3
238	362	802	0:SPD7_SP-NON_SPD6	C[4x3,4,6]	C[3,3,4,6]	H[4]	7:6:7:2:2:2:1:	7:7:7:2:1:1:	7:2:	N[6x3]-7:C[3,3,4,6]-6:C[5x3,6]-7:H[3]-2:H[3]-2:H[4]-2:H-1:	N[6x3]-7:C[4x3,4,6]-7:C[4x3,6]-7:H[4]-2:H-1:H-1:	C[4x3,4,6]-7:H[4]-2:	C[4x3,4,6](N[6x3]C[3,3,4,6]C[3x3,6]C[4x3,6]2C[5x3,6]Ru)(C[3,3,4,6]C[4x3,6]N[6x3]H[4]HH)(C[5x3,6]C[3x3,6]N[6x3]H[3]3H)(H[3]C[5x3,6])2(H[4]H[4])(H)	C[3,3,4,6](N[6x3]C[4x3,4,6]C[3x3,6]C[4x3,6]2C[5x3,6]Ru)(C[4x3,4,6]C[5x3,6]N[6x3]H[3]2H[4]H)(C[4x3,6]C[4x3,6]N[6x3]H[3]2HH)(H[4]H[4])(H)2	H[4](C[4x3,4,6]C[3,3,4,6]C[5x3,6]N[6x3]H[3]2H)(H[4]C[3,3,4,6])	C[4x3,4,6](N[6x3]C[3,3,4,6]C[3x3,6]C[4x3,6]2C[5x3,6]Ru)(C[3,3,4,6]C[4x3,6]N[6x3]H[4]HH)(C[5x3,6]C[3x3,6]N[6x3]H[3]3H)(H[3]C[5x3,6])2(H[4]H[4])(H){2|H<2>,7|H<1>}	C[3,3,4,6](N[6x3]C[4x3,4,6]C[3x3,6]C[4x3,6]2C[5x3,6]Ru)(C[4x3,4,6]C[5x3,6]N[6x3]H[3]2H[4]H)(C[4x3,6]C[4x3,6]N[6x3]H[3]2HH)(H[4]H[4])(H)2{1|H<2>,6|H<1>}	H[4](C[4x3,4,6]C[3,3,4,6]C[5x3,6]N[6x3]H[3]2H)(H[4]C[3,3,4,6])	59.3911	0.000	1	59.3911	0.000	1	59.3911	0.000	1	59.3911	0.000	1	59.3911	0.000	1	129.5970	3698.532	3
238	362	802	0:SPD7_SP-NON_SPD6	C[4x3,4,6]	C[3x3,4,6]	H[4]	7:7:6:3:2:2:1:	7:7:6:3:2:1:	7:2:	C[6x3]-7:C[4x3,4,6]-7:C[3x3,4,6]-6:H[3,3]-3:H[3]-2:H[4]-2:H-1:	C[6x3]-7:C[4x3,4,6]-7:C[3,3,4,4,6]-6:H[3,3]-3:H[4]-2:H-1:	C[4x3,4,6]-7:H[4]-2:	C[4x3,4,6](C[6x3]C[3,3,4,4,6]2C[3x3,4,6]2C[4x3,4,6]C[6])(C[4x3,4,6]C[3x3,4,6]C[6x3]H[3,3]H[3]H[4]H)(C[3x3,4,6]C[3,3,4,4,6]C[6x3]H[3,3]H[4]H)(H[3,3]C[3x3,4,6]H[3])(H[3]H[3,3])(H[4]H[4])(H)	C[3x3,4,6](C[6x3]C[3,3,4,4,6]2C[3x3,4,6]C[4x3,4,6]2C[6])(C[4x3,4,6]C[4x3,4,6]C[6x3]H[3,3]H[3]H[4]H)(C[3,3,4,4,6]C[3,3,4,4,6]C[6x3]H[4]2H)(H[3,3]C[4x3,4,6]H[3])(H[4]H[4])(H)	H[4](C[4x3,4,6]C[3x3,4,6]C[4x3,4,6]C[6x3]H[3,3]H[3]H)(H[4]C[4x3,4,6])	C[4x3,4,6](C[6x3]C[3,3,4,4,6]2C[3x3,4,6]2C[4x3,4,6]C[6])(C[4x3,4,6]C[3x3,4,6]C[6x3]H[3,3]H[3]H[4]H)(C[3x3,4,6]C[3,3,4,4,6]C[6x3]H[3,3]H[4]H)(H[3,3]C[3x3,4,6]H[3])(H[3]H[3,3])(H[4]H[4])(H){2|C<3>,3|H<1>,5|H<2>}	C[3x3,4,6](C[6x3]C[3,3,4,4,6]2C[3x3,4,6]C[4x3,4,6]2C[6])(C[4x3,4,6]C[4x3,4,6]C[6x3]H[3,3]H[3]H[4]H)(C[3,3,4,4,6]C[3,3,4,4,6]C[6x3]H[4]2H)(H[3,3]C[4x3,4,6]H[3])(H[4]H[4])(H){1|H<3>,2|C<3>,3|H<1>,5|H<2>}	H[4](C[4x3,4,6]C[3x3,4,6]C[4x3,4,6]C[6x3]H[3,3]H[3]H)(H[4]C[4x3,4,6])	164.7000	1.937	2	164.7000	3.754	2	164.7000	3.754	2	164.7000	3.754	2	164.7000	3.754	2	129.5970	3698.532	3
238	362	898	0:SPD7_SP1_SPD6	C[3x3,4]	C[3x3]	C[4]	6:4:5:3:4:4:2:	7:4:3:5:1:1:	7:2:	C[3x3]-6:C[3x3]-4:C[3,3]-5:C[3,3]-3:C[6]-4:C[4]-4:C[4]-2:	C[3x3,4]-7:C[3x3]-4:C[3,3]-3:C[3]-5:H-1:H-1:	C[3x3,4]-7:H[4]-2:	C[3x3,4](C[3x3]C[3,3]C[3x3]C[3]HH)(C[3x3]C[3,3]C[3x3]H[3])(C[3,3]C[3x3]H[3]HH)(C[3,3]C[3x3]C[3])(C[6]C[3,6]2H)(C[4]H[4]HH)(C[4]H[4])	C[3x3](C[3x3,4]C[3,3]2C[3x3]C[4]2C[6])(C[3x3]C[3x3,4]C[3,3]H[3])(C[3,3]C[3x3,4]C[3])(C[3]C[3,3]CHH)(H)2	C[4](C[3x3,4]C[3,3]2C[3x3]2C[4]C[6])(H[4]C[4])	C[3x3,4](C[3x3]C[3,3]C[3x3]C[3]HH)(C[3x3]C[3,3]C[3x3]H[3])(C[3,3]C[3x3]H[3]HH)(C[3,3]C[3x3]C[3])(C[6]C[3,6]2H)(C[4]H[4]HH)(C[4]H[4]){2|O<2>,3|H<1>,4|C<4>}	C[3x3](C[3x3,4]C[3,3]2C[3x3]C[4]2C[6])(C[3x3]C[3x3,4]C[3,3]H[3])(C[3,3]C[3x3,4]C[3])(C[3]C[3,3]CHH)(H)2{1|H<2>,2|C<4>,5|H<1>}	C[4](C[3x3,4]C[3,3]2C[3x3]2C[4]C[6])(H[4]C[4]){1|C<5>,1|H<2>,2|C<4>,7|H<1>}	133.5120	0.000	1	133.5120	0.000	1	133.5120	0.000	1	133.5120	0.000	1	133.5120	0.000	1	133.5120	0.000	1
238	362	902	3:SPD7_SP2_SPD6	C[3x3,4]	C[3x3]	C[3,3]	6:4:5:3:4:4:2:	7:4:3:5:1:1:	7:6:5:	C[3x3]-6:C[3x3]-4:C[3,3]-5:C[3,3]-3:C[6]-4:C[4]-4:C[4]-2:	C[3x3,4]-7:C[3x3]-4:C[3,3]-3:C[3]-5:H-1:H-1:	C[3x3,4]-7:C[3x3]-6:C[3]-5:	C[3x3,4](C[3x3]C[3,3]C[3x3]C[3]HH)(C[3x3]C[3,3]C[3x3]H[3])(C[3,3]C[3x3]H[3]HH)(C[3,3]C[3x3]C[3])(C[6]C[3,6]2H)(C[4]H[4]HH)(C[4]H[4])	C[3x3](C[3x3,4]C[3,3]2C[3x3]C[4]2C[6])(C[3x3]C[3x3,4]C[3,3]H[3])(C[3,3]C[3x3,4]C[3])(C[3]C[3,3]CHH)(H)2	C[3,3](C[3x3,4]C[3,3]C[3x3]2C[4]2C[6])(C[3x3]C[3x3,4]C[3x3]C[3]HH)(C[3]C[3x3]CHH)	C[3x3,4](C[3x3]C[3,3]C[3x3]C[3]HH)(C[3x3]C[3,3]C[3x3]H[3])(C[3,3]C[3x3]H[3]HH)(C[3,3]C[3x3]C[3])(C[6]C[3,6]2H)(C[4]H[4]HH)(C[4]H[4]){2|O<2>,3|H<1>,4|C<4>}	C[3x3](C[3x3,4]C[3,3]2C[3x3]C[4]2C[6])(C[3x3]C[3x3,4]C[3,3]H[3])(C[3,3]C[3x3,4]C[3])(C[3]C[3,3]CHH)(H)2{1|H<2>,2|C<4>,5|H<1>}	C[3,3](C[3x3,4]C[3,3]C[3x3]2C[4]2C[6])(C[3x3]C[3x3,4]C[3x3]C[3]HH)(C[3]C[3x3]CHH){2|C<4>,2|H<2>,5|H<1>}	46.2475	0.000	1	46.2475	0.000	1	46.2475	0.000	1	46.2475	0.000	1	46.2475	0.000	1	46.2475	0.000	1
238	362	920	3:SPD7_SP3_SPD6	C[6x3,4,4]	C[4x3,4,4,5]	O[4x3,4,4]	6:5:4:4:3:2:1:	7:5:4:3:2:1:	6:5:7:4:	C[4x3,4,4,5]-6:C[4x3,4,4,5]-5:C[3,4x4,5]-4:O[4x3,4,4]-4:H[3,3]-3:H[3]-2:H-1:	C[6x3,4,4]-7:C[4x3,4,4,5]-5:O[4x3,4,4]-4:H[3,4,4,5]-3:H[3]-2:H-1:	C[4x3,4,4,5]-6:C[4x3,4,4,5]-5:C[6x3,4,4]-7:C[3,4x4,5]-4:	C[6x3,4,4](C[4x3,4,4,5]C[4x3,4,4,5]H[3,4,4,5]O[4x3,4,4]H[3]H)(C[4x3,4,4,5]C[4x3,4,4,5]O[4x3,4,4]C[4,4,5]H[3,3])(C[3,4x4,5]H[3,4,4,5]O[4x3,4,4]C[4,4,5])(O[4x3,4,4]C[4x3,4,4,5]2C[3,4x4,5])(H[3,3]C[4x3,4,4,5]H[3])(H[3]H[3,3])(H)	C[4x3,4,4,5](C[6x3,4,4]C[4x3,4,4,5]C[3,4x4,5]O[4x3,4,4]H[3,3]H[3]H)(C[4x3,4,4,5]C[6x3,4,4]O[4x3,4,4]C[4,4,5]H[3,3])(O[4x3,4,4]C[4x3,4,4,5]C[3,4x4,5]C[6x3,4,4])(H[3,4,4,5]C[3,4x4,5]H[3])(H[3]H[3,4,4,5])(H)	O[4x3,4,4](C[4x3,4,4,5]C[4x3,4,4,5]C[6x3,4,4]H[3,4,4,5]H[3]H)(C[4x3,4,4,5]C[4x3,4,4,5]C[6x3,4,4]C[4,4,5]H[3,3])(C[6x3,4,4]C[4x3,4,4,5]2C[3,4x4,5]H[3,3]H[3]H)(C[3,4x4,5]C[6x3,4,4]H[3,4,4,5]C[4,4,5])	C[6x3,4,4](C[4x3,4,4,5]C[4x3,4,4,5]H[3,4,4,5]O[4x3,4,4]H[3]H)(C[4x3,4,4,5]C[4x3,4,4,5]O[4x3,4,4]C[4,4,5]H[3,3])(C[3,4x4,5]H[3,4,4,5]O[4x3,4,4]C[4,4,5])(O[4x3,4,4]C[4x3,4,4,5]2C[3,4x4,5])(H[3,3]C[4x3,4,4,5]H[3])(H[3]H[3,3])(H){1|O<2>,2|H<1>}	C[4x3,4,4,5](C[6x3,4,4]C[4x3,4,4,5]C[3,4x4,5]O[4x3,4,4]H[3,3]H[3]H)(C[4x3,4,4,5]C[6x3,4,4]O[4x3,4,4]C[4,4,5]H[3,3])(O[4x3,4,4]C[4x3,4,4,5]C[3,4x4,5]C[6x3,4,4])(H[3,4,4,5]C[3,4x4,5]H[3])(H[3]H[3,4,4,5])(H){1|O<2>,2|H<1>}	O[4x3,4,4](C[4x3,4,4,5]C[4x3,4,4,5]C[6x3,4,4]H[3,4,4,5]H[3]H)(C[4x3,4,4,5]C[4x3,4,4,5]C[6x3,4,4]C[4,4,5]H[3,3])(C[6x3,4,4]C[4x3,4,4,5]2C[3,4x4,5]H[3,3]H[3]H)(C[3,4x4,5]C[6x3,4,4]H[3,4,4,5]C[4,4,5]){1|O<2>,2|H<1>}	57.4723	0.000	1	57.4723	0.000	1	57.4723	0.000	1	57.4723	0.000	1	57.4723	0.000	1	57.4723	0.000	1
238	362	930	0:SPD7_SP2_SPD6	C[4x3,4,4]	C[3,3]	C	6:5:6:5:6:4:3:	7:6:6:1:1:1:	7:3:1:	C[3x3]-6:C[3,3,3x4]-5:C[3x3]-6:C[3,3]-5:C[3,3]-6:C[3x4]-4:C-3:	C[4x3,4,4]-7:C[3x3]-6:C[3x3]-6:H-1:H-1:H-1:	C[4x3,4,4]-7:N-3:O-1:	C[4x3,4,4](C[3x3]C[3,3,3x4]C[3,3]H[3]HH)(C[3,3,3x4]C[3x3]H[4,4]2H[3])(C[3x3]C[3,3]2H[3]HH)(C[3,3]C[3x3]H[3]HH)(C[3,3]C[3x3]2H3)(C[3x4]H[4,4]2H)(CNO)	C[3,3](C[4x3,4,4]C[3,3,3x4]C[3,3]C[3x3]2C[3x4]C)(C[3x3]C[3,3,3x4]C[4x3,4,4]H[3]HH)(C[3x3]C[4x3,4,4]C[3,3]H[3]HH)(H)3	C(C[4x3,4,4]C[3,3,3x4]C[3,3]2C[3x3]2C[3x4])(NC[6a]H)(O)	C[4x3,4,4](C[3x3]C[3,3,3x4]C[3,3]H[3]HH)(C[3,3,3x4]C[3x3]H[4,4]2H[3])(C[3x3]C[3,3]2H[3]HH)(C[3,3]C[3x3]H[3]HH)(C[3,3]C[3x3]2H3)(C[3x4]H[4,4]2H)(CNO)	C[3,3](C[4x3,4,4]C[3,3,3x4]C[3,3]C[3x3]2C[3x4]C)(C[3x3]C[3,3,3x4]C[4x3,4,4]H[3]HH)(C[3x3]C[4x3,4,4]C[3,3]H[3]HH)(H)3{2|H<2>,3|H<1>}	C(C[4x3,4,4]C[3,3,3x4]C[3,3]2C[3x3]2C[3x4])(NC[6a]H)(O)	98.6721	0.000	1	98.6721	0.000	1	98.6721	0.000	1	98.6721	0.000	1	98.6721	0.000	1	102.9864	31.178	3
238	362	930	0:SPD7_SP2_SPD6	C[4x3,4,4]	C[3x3]	C	6:5:6:5:6:4:3:	7:5:6:2:1:1:	7:3:1:	C[3x3]-6:C[3,3,3x4]-5:C[3x3]-6:C[3,3]-5:C[3,3]-6:C[3x4]-4:C-3:	C[4x3,4,4]-7:C[3,3,3x4]-5:C[3,3]-6:H[3]-2:H-1:H-1:	C[4x3,4,4]-7:N-3:O-1:	C[4x3,4,4](C[3x3]C[3,3,3x4]C[3,3]H[3]HH)(C[3,3,3x4]C[3x3]H[4,4]2H[3])(C[3x3]C[3,3]2H[3]HH)(C[3,3]C[3x3]H[3]HH)(C[3,3]C[3x3]2H3)(C[3x4]H[4,4]2H)(CNO)	C[3x3](C[4x3,4,4]C[3,3,3x4]C[3,3]2C[3x3]C[3x4]C)(C[3,3,3x4]C[4x3,4,4]H[4,4]2H[3])(C[3,3]C[4x3,4,4]C[3x3]H3)(H[3]C[3,3,3x4])(H)2	C(C[4x3,4,4]C[3,3,3x4]C[3,3]2C[3x3]2C[3x4])(NC[6a]H)(O)	C[4x3,4,4](C[3x3]C[3,3,3x4]C[3,3]H[3]HH)(C[3,3,3x4]C[3x3]H[4,4]2H[3])(C[3x3]C[3,3]2H[3]HH)(C[3,3]C[3x3]H[3]HH)(C[3,3]C[3x3]2H3)(C[3x4]H[4,4]2H)(CNO)	C[3x3](C[4x3,4,4]C[3,3,3x4]C[3,3]2C[3x3]C[3x4]C)(C[3,3,3x4]C[4x3,4,4]H[4,4]2H[3])(C[3,3]C[4x3,4,4]C[3x3]H3)(H[3]C[3,3,3x4])(H)2{1|H<2>,5|H<1>}	C(C[4x3,4,4]C[3,3,3x4]C[3,3]2C[3x3]2C[3x4])(NC[6a]H)(O)	109.2930	0.000	1	109.2930	0.000	1	109.2930	0.000	1	109.2930	0.000	1	105.1435	34.437	2	102.9864	31.178	3
238	362	930	0:SPD7_SP2_SPD6	C[4x3,4,4]	C[3x3]	C	6:5:6:5:6:4:3:	7:6:5:2:1:1:	7:3:1:	C[3x3]-6:C[3,3,3x4]-5:C[3x3]-6:C[3,3]-5:C[3,3]-6:C[3x4]-4:C-3:	C[4x3,4,4]-7:C[3,3]-6:C[3,3]-5:H[3]-2:H-1:H-1:	C[4x3,4,4]-7:N-3:O-1:	C[4x3,4,4](C[3x3]C[3,3,3x4]C[3,3]H[3]HH)(C[3,3,3x4]C[3x3]H[4,4]2H[3])(C[3x3]C[3,3]2H[3]HH)(C[3,3]C[3x3]H[3]HH)(C[3,3]C[3x3]2H3)(C[3x4]H[4,4]2H)(CNO)	C[3x3](C[4x3,4,4]C[3,3,3x4]C[3,3]2C[3x3]C[3x4]C)(C[3,3]C[4x3,4,4]C[3x3]H3)(C[3,3]C[4x3,4,4]H[3]HH)(H[3]C[3,3])(H)2	C(C[4x3,4,4]C[3,3,3x4]C[3,3]2C[3x3]2C[3x4])(NC[6a]H)(O)	C[4x3,4,4](C[3x3]C[3,3,3x4]C[3,3]H[3]HH)(C[3,3,3x4]C[3x3]H[4,4]2H[3])(C[3x3]C[3,3]2H[3]HH)(C[3,3]C[3x3]H[3]HH)(C[3,3]C[3x3]2H3)(C[3x4]H[4,4]2H)(CNO)	C[3x3](C[4x3,4,4]C[3,3,3x4]C[3,3]2C[3x3]C[3x4]C)(C[3,3]C[4x3,4,4]C[3x3]H3)(C[3,3]C[4x3,4,4]H[3]HH)(H[3]C[3,3])(H)2{3|H<1>,3|H<2>}	C(C[4x3,4,4]C[3,3,3x4]C[3,3]2C[3x3]2C[3x4])(NC[6a]H)(O)	100.9940	0.000	1	100.9940	0.000	1	100.9940	0.000	1	100.9940	0.000	1	105.1435	34.437	2	102.9864	31.178	3
238	362	951	0:SPD7_SP-NON_SPD6	C[3x3,3x4,5,5]	C[3,3x4,4x5]	H	6:6:5:6:2:2:1:	7:6:2:2:4:1:	7:	C[3,3x4,4x5]-6:C[3x3,4,5,5]-6:C[4x4,5,5]-5:C[4,5,5]-6:H[3]-2:H[3]-2:H-1:	C[3x3,3x4,5,5]-7:C[3x3,4,5,5]-6:H[4,4,5]-2:H[4,4,5]-2:C[4,5,5]-4:H-1:	C[3x3,3x4,5,5]-7:	C[3x3,3x4,5,5](C[3,3x4,4x5]C[3x3,4,5,5]C[4,5,5]H[4,4,5]2H)(C[3x3,4,5,5]C[3,3x4,4x5]S[4,5,5]H[3]2H)(C[4x4,5,5]H[4,4,5]2S[4,5,5]H)(C[4,5,5]H[4,5]2H3)(H[3]C[3x3,4,5,5])2(H)	C[3,3x4,4x5](C[3x3,3x4,5,5]C[3x3,4,5,5]C[4x4,5,5]C[4,5,5]H[3]2H)(C[3x3,4,5,5]C[3x3,3x4,5,5]S[4,5,5]H[3]2H)(H[4,4,5]C[4x4,5,5])2(C[4,5,5]H[4,5]2H)(H)	H(C[3x3,3x4,5,5]C[3,3x4,4x5]C[3x3,4,5,5]C[4x4,5,5]C[4,5,5]H[3]2)	C[3x3,3x4,5,5](C[3,3x4,4x5]C[3x3,4,5,5]C[4,5,5]H[4,4,5]2H)(C[3x3,4,5,5]C[3,3x4,4x5]S[4,5,5]H[3]2H)(C[4x4,5,5]H[4,4,5]2S[4,5,5]H)(C[4,5,5]H[4,5]2H3)(H[3]C[3x3,4,5,5])2(H){1|C<4>,1|H<1>,2|O<1>}	C[3,3x4,4x5](C[3x3,3x4,5,5]C[3x3,4,5,5]C[4x4,5,5]C[4,5,5]H[3]2H)(C[3x3,4,5,5]C[3x3,3x4,5,5]S[4,5,5]H[3]2H)(H[4,4,5]C[4x4,5,5])2(C[4,5,5]H[4,5]2H)(H){1|C<4>,2|O<1>,4|H<1>}	H(C[3x3,3x4,5,5]C[3,3x4,4x5]C[3x3,4,5,5]C[4x4,5,5]C[4,5,5]H[3]2)	95.9281	0.000	1	95.9281	0.000	1	95.9281	0.000	1	95.9281	0.000	1	95.9281	0.000	1	99.6694	785.962	19
238	362	951	0:SPD7_SP-NON_SPD6	C[3x3,3x4,5,5]	C[3x3,4,5,5]	H	6:6:5:6:2:2:1:	7:6:5:2:2:1:	7:	C[3,3x4,4x5]-6:C[3x3,4,5,5]-6:C[4x4,5,5]-5:C[4,5,5]-6:H[3]-2:H[3]-2:H-1:	C[3x3,3x4,5,5]-7:C[3,3x4,4x5]-6:S[4,5,5]-5:H[3]-2:H[3]-2:H-1:	C[3x3,3x4,5,5]-7:	C[3x3,3x4,5,5](C[3,3x4,4x5]C[3x3,4,5,5]C[4,5,5]H[4,4,5]2H)(C[3x3,4,5,5]C[3,3x4,4x5]S[4,5,5]H[3]2H)(C[4x4,5,5]H[4,4,5]2S[4,5,5]H)(C[4,5,5]H[4,5]2H3)(H[3]C[3x3,4,5,5])2(H)	C[3x3,4,5,5](C[3x3,3x4,5,5]C[3,3x4,4x5]C[4x4,5,5]C[4,5,5]H[3]2H)(C[3,3x4,4x5]C[3x3,3x4,5,5]C[4,5,5]H[4,4,5]2H)(S[4,5,5]C[4x4,5,5]C[5]OO)(H[3]C[3x3,3x4,5,5])2(H)	H(C[3x3,3x4,5,5]C[3,3x4,4x5]C[3x3,4,5,5]C[4x4,5,5]C[4,5,5]H[3]2)	C[3x3,3x4,5,5](C[3,3x4,4x5]C[3x3,4,5,5]C[4,5,5]H[4,4,5]2H)(C[3x3,4,5,5]C[3,3x4,4x5]S[4,5,5]H[3]2H)(C[4x4,5,5]H[4,4,5]2S[4,5,5]H)(C[4,5,5]H[4,5]2H3)(H[3]C[3x3,4,5,5])2(H){1|C<4>,1|H<1>,2|O<1>}	C[3x3,4,5,5](C[3x3,3x4,5,5]C[3,3x4,4x5]C[4x4,5,5]C[4,5,5]H[3]2H)(C[3,3x4,4x5]C[3x3,3x4,5,5]C[4,5,5]H[4,4,5]2H)(S[4,5,5]C[4x4,5,5]C[5]OO)(H[3]C[3x3,3x4,5,5])2(H){2|C<4>,2|H<2>,6|H<1>}	H(C[3x3,3x4,5,5]C[3,3x4,4x5]C[3x3,4,5,5]C[4x4,5,5]C[4,5,5]H[3]2)	128.0230	0.000	1	128.0230	0.000	1	128.0230	0.000	1	128.0230	0.000	1	128.0230	0.000	1	99.6694	785.962	19
238	362	951	0:SPD7_SP-NON_SPD6	C[3x3,6]	C[4x3,6]	H	7:7:6:2:1:1:1:	7:8:7:2:2:1:	7:	C[6x3]-7:C[4x3,6]-7:C[4x3,6]-6:H[3]-2:H-1:H-1:H-1:	C[6x3]-7:C[5x3,6]-8:C[3x3,6]-7:H[3]-2:H[3]-2:H-1:	C[3x3,6]-7:	C[3x3,6](C[6x3]C[3x3,6]C[4x3,6]3C[5x3,6]C[6a])(C[4x3,6]C[4x3,6]C[6x3]H[3]2HH)(C[4x3,6]C[5x3,6]C[6x3]H[3]2H)(H[3]C[4x3,6])(H)3	C[4x3,6](C[6x3]C[3x3,6]2C[4x3,6]2C[5x3,6]C[6a])(C[5x3,6]C[3x3,6]C[6x3]H[3,3]H[3]2HH)(C[3x3,6]C[4x3,6]C[6x3]H[3]H3)(H[3]C[3x3,6])(H[3]C[5x3,6])(H)	H(C[3x3,6]C[4x3,6]2C[6x3]H[3]HH)	C[3x3,6](C[6x3]C[3x3,6]C[4x3,6]3C[5x3,6]C[6a])(C[4x3,6]C[4x3,6]C[6x3]H[3]2HH)(C[4x3,6]C[5x3,6]C[6x3]H[3]2H)(H[3]C[4x3,6])(H)3{1|H<2>,1|H<3>,2|C<3>,6|H<1>}	C[4x3,6](C[6x3]C[3x3,6]2C[4x3,6]2C[5x3,6]C[6a])(C[5x3,6]C[3x3,6]C[6x3]H[3,3]H[3]2HH)(C[3x3,6]C[4x3,6]C[6x3]H[3]H3)(H[3]C[3x3,6])(H[3]C[5x3,6])(H){2|C<3>,2|H<2>,6|H<1>}	H(C[3x3,6]C[4x3,6]2C[6x3]H[3]HH)	106.3836	44.524	3	106.3836	1982.409	3	106.3836	1982.409	3	106.3836	1982.409	3	106.3836	1982.409	3	99.6694	785.962	19
238	362	951	0:SPD7_SP-NON_SPD6	C[4x3,4,6]	C[3,3,4,6]	H	7:6:7:2:2:2:1:	7:7:7:2:1:1:	7:	N[6x3]-7:C[3,3,4,6]-6:C[5x3,6]-7:H[3]-2:H[3]-2:H[4]-2:H-1:	N[6x3]-7:C[4x3,4,6]-7:C[4x3,6]-7:H[4]-2:H-1:H-1:	C[4x3,4,6]-7:	C[4x3,4,6](N[6x3]C[3,3,4,6]C[3x3,6]C[4x3,6]2C[5x3,6]Ru)(C[3,3,4,6]C[4x3,6]N[6x3]H[4]HH)(C[5x3,6]C[3x3,6]N[6x3]H[3]3H)(H[3]C[5x3,6])2(H[4]H[4])(H)	C[3,3,4,6](N[6x3]C[4x3,4,6]C[3x3,6]C[4x3,6]2C[5x3,6]Ru)(C[4x3,4,6]C[5x3,6]N[6x3]H[3]2H[4]H)(C[4x3,6]C[4x3,6]N[6x3]H[3]2HH)(H[4]H[4])(H)2	H(C[4x3,4,6]C[3,3,4,6]C[5x3,6]N[6x3]H[3]2H[4])	C[4x3,4,6](N[6x3]C[3,3,4,6]C[3x3,6]C[4x3,6]2C[5x3,6]Ru)(C[3,3,4,6]C[4x3,6]N[6x3]H[4]HH)(C[5x3,6]C[3x3,6]N[6x3]H[3]3H)(H[3]C[5x3,6])2(H[4]H[4])(H){2|H<2>,7|H<1>}	C[3,3,4,6](N[6x3]C[4x3,4,6]C[3x3,6]C[4x3,6]2C[5x3,6]Ru)(C[4x3,4,6]C[5x3,6]N[6x3]H[3]2H[4]H)(C[4x3,6]C[4x3,6]N[6x3]H[3]2HH)(H[4]H[4])(H)2{1|H<2>,6|H<1>}	H(C[4x3,4,6]C[3,3,4,6]C[5x3,6]N[6x3]H[3]2H[4])	94.7896	0.000	1	94.7896	0.000	1	94.7896	0.000	1	94.7896	0.000	1	94.7896	0.000	1	99.6694	785.962	19
238	362	951	0:SPD7_SP-NON_SPD6	C[4x3,4,6]	C[3x3,4,6]	H	7:7:6:3:2:2:1:	7:7:6:3:2:1:	7:	C[6x3]-7:C[4x3,4,6]-7:C[3x3,4,6]-6:H[3,3]-3:H[3]-2:H[4]-2:H-1:	C[6x3]-7:C[4x3,4,6]-7:C[3,3,4,4,6]-6:H[3,3]-3:H[4]-2:H-1:	C[4x3,4,6]-7:	C[4x3,4,6](C[6x3]C[3,3,4,4,6]2C[3x3,4,6]2C[4x3,4,6]C[6])(C[4x3,4,6]C[3x3,4,6]C[6x3]H[3,3]H[3]H[4]H)(C[3x3,4,6]C[3,3,4,4,6]C[6x3]H[3,3]H[4]H)(H[3,3]C[3x3,4,6]H[3])(H[3]H[3,3])(H[4]H[4])(H)	C[3x3,4,6](C[6x3]C[3,3,4,4,6]2C[3x3,4,6]C[4x3,4,6]2C[6])(C[4x3,4,6]C[4x3,4,6]C[6x3]H[3,3]H[3]H[4]H)(C[3,3,4,4,6]C[3,3,4,4,6]C[6x3]H[4]2H)(H[3,3]C[4x3,4,6]H[3])(H[4]H[4])(H)	H(C[4x3,4,6]C[3x3,4,6]C[4x3,4,6]C[6x3]H[3,3]H[3]H[4])	C[4x3,4,6](C[6x3]C[3,3,4,4,6]2C[3x3,4,6]2C[4x3,4,6]C[6])(C[4x3,4,6]C[3x3,4,6]C[6x3]H[3,3]H[3]H[4]H)(C[3x3,4,6]C[3,3,4,4,6]C[6x3]H[3,3]H[4]H)(H[3,3]C[3x3,4,6]H[3])(H[3]H[3,3])(H[4]H[4])(H){2|C<3>,3|H<1>,5|H<2>}	C[3x3,4,6](C[6x3]C[3,3,4,4,6]2C[3x3,4,6]C[4x3,4,6]2C[6])(C[4x3,4,6]C[4x3,4,6]C[6x3]H[3,3]H[3]H[4]H)(C[3,3,4,4,6]C[3,3,4,4,6]C[6x3]H[4]2H)(H[3,3]C[4x3,4,6]H[3])(H[4]H[4])(H){1|H<3>,2|C<3>,3|H<1>,5|H<2>}	H(C[4x3,4,6]C[3x3,4,6]C[4x3,4,6]C[6x3]H[3,3]H[3]H[4])	85.7516	1.965	2	85.7516	3.862	2	85.7516	3.862	2	85.7516	3.862	2	85.7516	3.862	2	99.6694	785.962	19
238	362	951	0:SPD7_SP-NON_SPD6	C[4x3,6]	C[3,3,4,6]	H	7:6:7:2:2:1:1:	7:7:7:2:1:1:	7:	N[6x3]-7:C[3,3,4,6]-6:C[4x3,6]-7:H[3]-2:H[3]-2:H-1:H-1:	N[6x3]-7:C[4x3,4,6]-7:C[4x3,6]-7:H[4]-2:H-1:H-1:	C[4x3,6]-7:	C[4x3,6](N[6x3]C[3,3,4,6]C[4x3,4,6]C[3x3,6]C[4x3,6]C[5x3,6]Ru)(C[3,3,4,6]C[4x3,4,6]N[6x3]H[4]HH)(C[4x3,6]C[3x3,6]N[6x3]H[3]2HH)(H[3]C[4x3,6])2(H)2	C[3,3,4,6](N[6x3]C[4x3,4,6]C[3x3,6]C[4x3,6]2C[5x3,6]Ru)(C[4x3,4,6]C[5x3,6]N[6x3]H[3]2H[4]H)(C[4x3,6]C[4x3,6]N[6x3]H[3]2HH)(H[4]H[4])(H)2	H(C[4x3,6]C[3,3,4,6]C[4x3,6]N[6x3]H[3]2H)	C[4x3,6](N[6x3]C[3,3,4,6]C[4x3,4,6]C[3x3,6]C[4x3,6]C[5x3,6]Ru)(C[3,3,4,6]C[4x3,4,6]N[6x3]H[4]HH)(C[4x3,6]C[3x3,6]N[6x3]H[3]2HH)(H[3]C[4x3,6])2(H)2{4|H<2>,5|H<1>}	C[3,3,4,6](N[6x3]C[4x3,4,6]C[3x3,6]C[4x3,6]2C[5x3,6]Ru)(C[4x3,4,6]C[5x3,6]N[6x3]H[3]2H[4]H)(C[4x3,6]C[4x3,6]N[6x3]H[3]2HH)(H[4]H[4])(H)2{1|H<2>,6|H<1>}	H(C[4x3,6]C[3,3,4,6]C[4x3,6]N[6x3]H[3]2H)	79.0806	22.256	2	79.0806	495.319	2	79.0806	495.319	2	79.0806	495.319	2	79.0806	495.319	2	99.6694	785.962	19
238	362	951	0:SPD7_SP-NON_SPD6	C[4x3,6]	C[3x3,6]	H	7:6:7:2:2:1:1:	7:8:7:3:1:1:	7:	C[6x3]-7:C[3x3,6]-6:C[4x3,6]-7:H[3]-2:H[3]-2:H-1:H-1:	C[6x3]-7:C[5x3,6]-8:C[4x3,6]-7:H[3,3]-3:H-1:H-1:	C[4x3,6]-7:	C[4x3,6](C[6x3]C[3x3,6]2C[4x3,6]2C[5x3,6]C[6a])(C[3x3,6]C[5x3,6]C[6x3]H[3,3]HH)(C[4x3,6]C[3x3,6]C[6x3]H[3]2HH)(H[3]C[4x3,6])2(H)2	C[3x3,6](C[6x3]C[3x3,6]C[4x3,6]3C[5x3,6]C[6a])(C[5x3,6]C[4x3,6]C[6x3]H[3,3]H[3]2HH)(C[4x3,6]C[4x3,6]C[6x3]H[3]2HH)(H[3,3]C[5x3,6]H[3])(H)2	H(C[4x3,6]C[3x3,6]C[4x3,6]C[6x3]H[3]2H)	C[4x3,6](C[6x3]C[3x3,6]2C[4x3,6]2C[5x3,6]C[6a])(C[3x3,6]C[5x3,6]C[6x3]H[3,3]HH)(C[4x3,6]C[3x3,6]C[6x3]H[3]2HH)(H[3]C[4x3,6])2(H)2{2|C<3>,3|H<2>,6|H<1>}	C[3x3,6](C[6x3]C[3x3,6]C[4x3,6]3C[5x3,6]C[6a])(C[5x3,6]C[4x3,6]C[6x3]H[3,3]H[3]2HH)(C[4x3,6]C[4x3,6]C[6x3]H[3]2HH)(H[3,3]C[5x3,6]H[3])(H)2{1|H<2>,2|C<3>,6|H<1>}	H(C[4x3,6]C[3x3,6]C[4x3,6]C[6x3]H[3]2H)	85.3314	16.398	2	85.3314	268.897	2	85.3314	268.897	2	85.3314	268.897	2	85.3314	268.897	2	99.6694	785.962	19
238	362	951	0:SPD7_SP-NON_SPD6	C[4x3]	C[3x3]	H	6:5:5:3:2:1:1:	7:5:6:3:1:1:	7:	C[3x3]-6:C[3,3]-5:N[3x3]-5:H[3,3]-3:H[3]-2:H-1:H-1:	C[4x3]-7:N[3x3]-5:C[3x3]-6:H[3,3]-3:H-1:H-1:	C[4x3]-7:	C[4x3](C[3x3]C[3x3]H[3,3]N[3x3]HH)(C[3,3]H[3,3]N[3x3]HH)(N[3x3]C[3,3]C[3x3]2C)(H[3,3]C[3,3]H[3])(H[3]H[3,3])(H)2	C[3x3](C[4x3]C[3,3]H[3,3]N[3x3]H[3]HH)(N[3x3]C[3,3]C[3x3]C[4x3]C)(C[3x3]H[3,3]N[3x3]H[3]HH)(H[3,3]C[3x3]H[3])(H)2	H(C[4x3]C[3,3]C[3x3]H[3,3]N[3x3]H[3]H)	C[4x3](C[3x3]C[3x3]H[3,3]N[3x3]HH)(C[3,3]H[3,3]N[3x3]HH)(N[3x3]C[3,3]C[3x3]2C)(H[3,3]C[3,3]H[3])(H[3]H[3,3])(H)2{1|H<2>,2|H<1>}	C[3x3](C[4x3]C[3,3]H[3,3]N[3x3]H[3]HH)(N[3x3]C[3,3]C[3x3]C[4x3]C)(C[3x3]H[3,3]N[3x3]H[3]HH)(H[3,3]C[3x3]H[3])(H)2{2|H<1>}	H(C[4x3]C[3,3]C[3x3]H[3,3]N[3x3]H[3]H)	83.5993	33.528	2	83.5993	1124.110	2	83.5993	1124.110	2	83.5993	1124.110	2	110.4903	1207.590	6	99.6694	785.962	19
238	362	951	0:SPD7_SP-NON_SPD6	C[4x3]	C[3x3]	H	7:7:6:2:2:1:1:	7:7:2:2:1:1:	7:	C[3x3,3x4]-7:C[4x3]-7:C[3x3]-6:H[3]-2:H[3]-2:H-1:H-1:	C[3x3,3x4]-7:C[4x3]-7:H[3]-2:H[3]-2:H-1:H-1:	C[4x3]-7:	C[4x3](C[3x3,3x4]C[3,6x4]C[3x3]2C[4x3]C[6x4]C[6a])(C[4x3]C[3x3,3x4]C[3x3]H[3]2HH)(C[3x3]C[3x3,3x4]H[3]2HH)(H[3]C[3x3])2(H)2	C[3x3](C[3x3,3x4]C[3,6x4]C[3x3]C[4x3]2C[6x4]C[6a])(C[4x3]C[3x3,3x4]C[4x3]H[3]2HH)(H[3]C[4x3])2(H)2	H(C[4x3]C[3x3,3x4]C[3x3]C[4x3]H[3]2H)	C[4x3](C[3x3,3x4]C[3,6x4]C[3x3]2C[4x3]C[6x4]C[6a])(C[4x3]C[3x3,3x4]C[3x3]H[3]2HH)(C[3x3]C[3x3,3x4]H[3]2HH)(H[3]C[3x3])2(H)2{1|H<3>,2|C<3>,3|H<2>,4|H<1>}	C[3x3](C[3x3,3x4]C[3,6x4]C[3x3]C[4x3]2C[6x4]C[6a])(C[4x3]C[3x3,3x4]C[4x3]H[3]2HH)(H[3]C[4x3])2(H)2{1|H<3>,2|C<3>,5|H<2>,6|H<1>}	H(C[4x3]C[3x3,3x4]C[3x3]C[4x3]H[3]2H)	123.9358	30.246	4	123.9358	914.820	4	123.9358	914.820	4	123.9358	914.820	4	110.4903	1207.590	6	99.6694	785.962	19
238	362	951	0:SPD7_SP-NON_SPD6	C[6x3,4,4]	C[4x3,4,4,5]	H	6:5:4:4:3:2:1:	7:5:4:3:2:1:	7:	C[4x3,4,4,5]-6:C[4x3,4,4,5]-5:C[3,4x4,5]-4:O[4x3,4,4]-4:H[3,3]-3:H[3]-2:H-1:	C[6x3,4,4]-7:C[4x3,4,4,5]-5:O[4x3,4,4]-4:H[3,4,4,5]-3:H[3]-2:H-1:	C[6x3,4,4]-7:	C[6x3,4,4](C[4x3,4,4,5]C[4x3,4,4,5]H[3,4,4,5]O[4x3,4,4]H[3]H)(C[4x3,4,4,5]C[4x3,4,4,5]O[4x3,4,4]C[4,4,5]H[3,3])(C[3,4x4,5]H[3,4,4,5]O[4x3,4,4]C[4,4,5])(O[4x3,4,4]C[4x3,4,4,5]2C[3,4x4,5])(H[3,3]C[4x3,4,4,5]H[3])(H[3]H[3,3])(H)	C[4x3,4,4,5](C[6x3,4,4]C[4x3,4,4,5]C[3,4x4,5]O[4x3,4,4]H[3,3]H[3]H)(C[4x3,4,4,5]C[6x3,4,4]O[4x3,4,4]C[4,4,5]H[3,3])(O[4x3,4,4]C[4x3,4,4,5]C[3,4x4,5]C[6x3,4,4])(H[3,4,4,5]C[3,4x4,5]H[3])(H[3]H[3,4,4,5])(H)	H(C[6x3,4,4]C[4x3,4,4,5]2C[3,4x4,5]O[4x3,4,4]H[3,3]H[3])	C[6x3,4,4](C[4x3,4,4,5]C[4x3,4,4,5]H[3,4,4,5]O[4x3,4,4]H[3]H)(C[4x3,4,4,5]C[4x3,4,4,5]O[4x3,4,4]C[4,4,5]H[3,3])(C[3,4x4,5]H[3,4,4,5]O[4x3,4,4]C[4,4,5])(O[4x3,4,4]C[4x3,4,4,5]2C[3,4x4,5])(H[3,3]C[4x3,4,4,5]H[3])(H[3]H[3,3])(H){1|O<2>,2|H<1>}	C[4x3,4,4,5](C[6x3,4,4]C[4x3,4,4,5]C[3,4x4,5]O[4x3,4,4]H[3,3]H[3]H)(C[4x3,4,4,5]C[6x3,4,4]O[4x3,4,4]C[4,4,5]H[3,3])(O[4x3,4,4]C[4x3,4,4,5]C[3,4x4,5]C[6x3,4,4])(H[3,4,4,5]C[3,4x4,5]H[3])(H[3]H[3,4,4,5])(H){1|O<2>,2|H<1>}	H(C[6x3,4,4]C[4x3,4,4,5]2C[3,4x4,5]O[4x3,4,4]H[3,3]H[3])	92.5580	0.000	1	92.5580	0.000	1	92.5580	0.000	1	92.5580	0.000	1	92.5580	0.000	1	99.6694	785.962	19
238	362	968	0:SPD7_SP-NON_SPD6	C[3x3,3x4,5,5]	C[3,3x4,4x5]	H[3]	6:6:5:6:2:2:1:	7:6:2:2:4:1:	7:6:	C[3,3x4,4x5]-6:C[3x3,4,5,5]-6:C[4x4,5,5]-5:C[4,5,5]-6:H[3]-2:H[3]-2:H-1:	C[3x3,3x4,5,5]-7:C[3x3,4,5,5]-6:H[4,4,5]-2:H[4,4,5]-2:C[4,5,5]-4:H-1:	C[3x3,3x4,5,5]-7:C[3x3,4,5,5]-6:	C[3x3,3x4,5,5](C[3,3x4,4x5]C[3x3,4,5,5]C[4,5,5]H[4,4,5]2H)(C[3x3,4,5,5]C[3,3x4,4x5]S[4,5,5]H[3]2H)(C[4x4,5,5]H[4,4,5]2S[4,5,5]H)(C[4,5,5]H[4,5]2H3)(H[3]C[3x3,4,5,5])2(H)	C[3,3x4,4x5](C[3x3,3x4,5,5]C[3x3,4,5,5]C[4x4,5,5]C[4,5,5]H[3]2H)(C[3x3,4,5,5]C[3x3,3x4,5,5]S[4,5,5]H[3]2H)(H[4,4,5]C[4x4,5,5])2(C[4,5,5]H[4,5]2H)(H)	H[3](C[3x3,3x4,5,5]C[3,3x4,4x5]C[3x3,4,5,5]C[4x4,5,5]C[4,5,5]H[3]H)(C[3x3,4,5,5]C[3x3,3x4,5,5]C[3,3x4,4x5]S[4,5,5]H[3]H)	C[3x3,3x4,5,5](C[3,3x4,4x5]C[3x3,4,5,5]C[4,5,5]H[4,4,5]2H)(C[3x3,4,5,5]C[3,3x4,4x5]S[4,5,5]H[3]2H)(C[4x4,5,5]H[4,4,5]2S[4,5,5]H)(C[4,5,5]H[4,5]2H3)(H[3]C[3x3,4,5,5])2(H){1|C<4>,1|H<1>,2|O<1>}	C[3,3x4,4x5](C[3x3,3x4,5,5]C[3x3,4,5,5]C[4x4,5,5]C[4,5,5]H[3]2H)(C[3x3,4,5,5]C[3x3,3x4,5,5]S[4,5,5]H[3]2H)(H[4,4,5]C[4x4,5,5])2(C[4,5,5]H[4,5]2H)(H){1|C<4>,2|O<1>,4|H<1>}	H[3](C[3x3,3x4,5,5]C[3,3x4,4x5]C[3x3,4,5,5]C[4x4,5,5]C[4,5,5]H[3]H)(C[3x3,4,5,5]C[3x3,3x4,5,5]C[3,3x4,4x5]S[4,5,5]H[3]H)	138.3860	9.512	2	138.3860	90.478	2	138.3860	90.478	2	138.3860	90.478	2	138.3860	90.478	2	105.0541	2318.801	19
238	362	968	0:SPD7_SP-NON_SPD6	C[3x3,3x4,5,5]	C[3x3,4,5,5]	H[3]	6:6:5:6:2:2:1:	7:6:5:2:2:1:	7:6:	C[3,3x4,4x5]-6:C[3x3,4,5,5]-6:C[4x4,5,5]-5:C[4,5,5]-6:H[3]-2:H[3]-2:H-1:	C[3x3,3x4,5,5]-7:C[3,3x4,4x5]-6:S[4,5,5]-5:H[3]-2:H[3]-2:H-1:	C[3x3,3x4,5,5]-7:C[3x3,4,5,5]-6:	C[3x3,3x4,5,5](C[3,3x4,4x5]C[3x3,4,5,5]C[4,5,5]H[4,4,5]2H)(C[3x3,4,5,5]C[3,3x4,4x5]S[4,5,5]H[3]2H)(C[4x4,5,5]H[4,4,5]2S[4,5,5]H)(C[4,5,5]H[4,5]2H3)(H[3]C[3x3,4,5,5])2(H)	C[3x3,4,5,5](C[3x3,3x4,5,5]C[3,3x4,4x5]C[4x4,5,5]C[4,5,5]H[3]2H)(C[3,3x4,4x5]C[3x3,3x4,5,5]C[4,5,5]H[4,4,5]2H)(S[4,5,5]C[4x4,5,5]C[5]OO)(H[3]C[3x3,3x4,5,5])2(H)	H[3](C[3x3,3x4,5,5]C[3,3x4,4x5]C[3x3,4,5,5]C[4x4,5,5]C[4,5,5]H[3]H)(C[3x3,4,5,5]C[3x3,3x4,5,5]C[3,3x4,4x5]S[4,5,5]H[3]H)	C[3x3,3x4,5,5](C[3,3x4,4x5]C[3x3,4,5,5]C[4,5,5]H[4,4,5]2H)(C[3x3,4,5,5]C[3,3x4,4x5]S[4,5,5]H[3]2H)(C[4x4,5,5]H[4,4,5]2S[4,5,5]H)(C[4,5,5]H[4,5]2H3)(H[3]C[3x3,4,5,5])2(H){1|C<4>,1|H<1>,2|O<1>}	C[3x3,4,5,5](C[3x3,3x4,5,5]C[3,3x4,4x5]C[4x4,5,5]C[4,5,5]H[3]2H)(C[3,3x4,4x5]C[3x3,3x4,5,5]C[4,5,5]H[4,4,5]2H)(S[4,5,5]C[4x4,5,5]C[5]OO)(H[3]C[3x3,3x4,5,5])2(H){2|C<4>,2|H<2>,6|H<1>}	H[3](C[3x3,3x4,5,5]C[3,3x4,4x5]C[3x3,4,5,5]C[4x4,5,5]C[4,5,5]H[3]H)(C[3x3,4,5,5]C[3x3,3x4,5,5]C[3,3x4,4x5]S[4,5,5]H[3]H)	65.3290	5.070	2	65.3290	25.707	2	65.3290	25.707	2	65.3290	25.707	2	65.3290	25.707	2	105.0541	2318.801	19
238	362	968	0:SPD7_SP-NON_SPD6	C[3x3,6]	C[4x3,6]	H[3]	7:7:6:2:1:1:1:	7:8:7:2:2:1:	6:7:	C[6x3]-7:C[4x3,6]-7:C[4x3,6]-6:H[3]-2:H-1:H-1:H-1:	C[6x3]-7:C[5x3,6]-8:C[3x3,6]-7:H[3]-2:H[3]-2:H-1:	C[4x3,6]-6:C[3x3,6]-7:	C[3x3,6](C[6x3]C[3x3,6]C[4x3,6]3C[5x3,6]C[6a])(C[4x3,6]C[4x3,6]C[6x3]H[3]2HH)(C[4x3,6]C[5x3,6]C[6x3]H[3]2H)(H[3]C[4x3,6])(H)3	C[4x3,6](C[6x3]C[3x3,6]2C[4x3,6]2C[5x3,6]C[6a])(C[5x3,6]C[3x3,6]C[6x3]H[3,3]H[3]2HH)(C[3x3,6]C[4x3,6]C[6x3]H[3]H3)(H[3]C[3x3,6])(H[3]C[5x3,6])(H)	H[3](C[4x3,6]C[3x3,6]C[5x3,6]C[6x3]H[3]H)(C[3x3,6]C[4x3,6]2C[6x3]H3)	C[3x3,6](C[6x3]C[3x3,6]C[4x3,6]3C[5x3,6]C[6a])(C[4x3,6]C[4x3,6]C[6x3]H[3]2HH)(C[4x3,6]C[5x3,6]C[6x3]H[3]2H)(H[3]C[4x3,6])(H)3{1|H<2>,1|H<3>,2|C<3>,6|H<1>}	C[4x3,6](C[6x3]C[3x3,6]2C[4x3,6]2C[5x3,6]C[6a])(C[5x3,6]C[3x3,6]C[6x3]H[3,3]H[3]2HH)(C[3x3,6]C[4x3,6]C[6x3]H[3]H3)(H[3]C[3x3,6])(H[3]C[5x3,6])(H){2|C<3>,2|H<2>,6|H<1>}	H[3](C[4x3,6]C[3x3,6]C[5x3,6]C[6x3]H[3]H)(C[3x3,6]C[4x3,6]2C[6x3]H3)	52.1622	0.000	1	52.1622	0.000	1	52.1622	0.000	1	52.1622	0.000	1	52.1622	0.000	1	105.0541	2318.801	19
238	362	968	0:SPD7_SP-NON_SPD6	C[4x3,4,6]	C[3,3,4,6]	H[3]	7:6:7:2:2:2:1:	7:7:7:2:1:1:	7:7:	N[6x3]-7:C[3,3,4,6]-6:C[5x3,6]-7:H[3]-2:H[3]-2:H[4]-2:H-1:	N[6x3]-7:C[4x3,4,6]-7:C[4x3,6]-7:H[4]-2:H-1:H-1:	C[4x3,4,6]-7:C[5x3,6]-7:	C[4x3,4,6](N[6x3]C[3,3,4,6]C[3x3,6]C[4x3,6]2C[5x3,6]Ru)(C[3,3,4,6]C[4x3,6]N[6x3]H[4]HH)(C[5x3,6]C[3x3,6]N[6x3]H[3]3H)(H[3]C[5x3,6])2(H[4]H[4])(H)	C[3,3,4,6](N[6x3]C[4x3,4,6]C[3x3,6]C[4x3,6]2C[5x3,6]Ru)(C[4x3,4,6]C[5x3,6]N[6x3]H[3]2H[4]H)(C[4x3,6]C[4x3,6]N[6x3]H[3]2HH)(H[4]H[4])(H)2	H[3](C[4x3,4,6]C[3,3,4,6]C[5x3,6]N[6x3]H[3]H[4]H)(C[5x3,6]C[4x3,4,6]C[3x3,6]N[6x3]H[3]2H)	C[4x3,4,6](N[6x3]C[3,3,4,6]C[3x3,6]C[4x3,6]2C[5x3,6]Ru)(C[3,3,4,6]C[4x3,6]N[6x3]H[4]HH)(C[5x3,6]C[3x3,6]N[6x3]H[3]3H)(H[3]C[5x3,6])2(H[4]H[4])(H){2|H<2>,7|H<1>}	C[3,3,4,6](N[6x3]C[4x3,4,6]C[3x3,6]C[4x3,6]2C[5x3,6]Ru)(C[4x3,4,6]C[5x3,6]N[6x3]H[3]2H[4]H)(C[4x3,6]C[4x3,6]N[6x3]H[3]2HH)(H[4]H[4])(H)2{1|H<2>,6|H<1>}	H[3](C[4x3,4,6]C[3,3,4,6]C[5x3,6]N[6x3]H[3]H[4]H)(C[5x3,6]C[4x3,4,6]C[3x3,6]N[6x3]H[3]2H)	152.7860	4.418	2	152.7860	19.519	2	152.7860	19.519	2	152.7860	19.519	2	152.7860	19.519	2	105.0541	2318.801	19
238	362	968	0:SPD7_SP-NON_SPD6	C[4x3,4,6]	C[3x3,4,6]	H[3]	7:7:6:3:2:2:1:	7:7:6:3:2:1:	7:3:	C[6x3]-7:C[4x3,4,6]-7:C[3x3,4,6]-6:H[3,3]-3:H[3]-2:H[4]-2:H-1:	C[6x3]-7:C[4x3,4,6]-7:C[3,3,4,4,6]-6:H[3,3]-3:H[4]-2:H-1:	C[4x3,4,6]-7:H[3,3]-3:	C[4x3,4,6](C[6x3]C[3,3,4,4,6]2C[3x3,4,6]2C[4x3,4,6]C[6])(C[4x3,4,6]C[3x3,4,6]C[6x3]H[3,3]H[3]H[4]H)(C[3x3,4,6]C[3,3,4,4,6]C[6x3]H[3,3]H[4]H)(H[3,3]C[3x3,4,6]H[3])(H[3]H[3,3])(H[4]H[4])(H)	C[3x3,4,6](C[6x3]C[3,3,4,4,6]2C[3x3,4,6]C[4x3,4,6]2C[6])(C[4x3,4,6]C[4x3,4,6]C[6x3]H[3,3]H[3]H[4]H)(C[3,3,4,4,6]C[3,3,4,4,6]C[6x3]H[4]2H)(H[3,3]C[4x3,4,6]H[3])(H[4]H[4])(H)	H[3](C[4x3,4,6]C[3x3,4,6]C[4x3,4,6]C[6x3]H[3,3]H[4]H)(H[3,3]C[3x3,4,6]C[4x3,4,6])	C[4x3,4,6](C[6x3]C[3,3,4,4,6]2C[3x3,4,6]2C[4x3,4,6]C[6])(C[4x3,4,6]C[3x3,4,6]C[6x3]H[3,3]H[3]H[4]H)(C[3x3,4,6]C[3,3,4,4,6]C[6x3]H[3,3]H[4]H)(H[3,3]C[3x3,4,6]H[3])(H[3]H[3,3])(H[4]H[4])(H){2|C<3>,3|H<1>,5|H<2>}	C[3x3,4,6](C[6x3]C[3,3,4,4,6]2C[3x3,4,6]C[4x3,4,6]2C[6])(C[4x3,4,6]C[4x3,4,6]C[6x3]H[3,3]H[3]H[4]H)(C[3,3,4,4,6]C[3,3,4,4,6]C[6x3]H[4]2H)(H[3,3]C[4x3,4,6]H[3])(H[4]H[4])(H){1|H<3>,2|C<3>,3|H<1>,5|H<2>}	H[3](C[4x3,4,6]C[3x3,4,6]C[4x3,4,6]C[6x3]H[3,3]H[4]H)(H[3,3]C[3x3,4,6]C[4x3,4,6])	65.1881	0.986	2	65.1881	0.972	2	65.1881	0.972	2	65.1881	0.972	2	65.1881	0.972	2	105.0541	2318.801	19
238	362	968	0:SPD7_SP-NON_SPD6	C[4x3,6]	C[3,3,4,6]	H[3]	7:6:7:2:2:1:1:	7:7:7:2:1:1:	7:7:	N[6x3]-7:C[3,3,4,6]-6:C[4x3,6]-7:H[3]-2:H[3]-2:H-1:H-1:	N[6x3]-7:C[4x3,4,6]-7:C[4x3,6]-7:H[4]-2:H-1:H-1:	C[4x3,6]-7:C[4x3,6]-7:	C[4x3,6](N[6x3]C[3,3,4,6]C[4x3,4,6]C[3x3,6]C[4x3,6]C[5x3,6]Ru)(C[3,3,4,6]C[4x3,4,6]N[6x3]H[4]HH)(C[4x3,6]C[3x3,6]N[6x3]H[3]2HH)(H[3]C[4x3,6])2(H)2	C[3,3,4,6](N[6x3]C[4x3,4,6]C[3x3,6]C[4x3,6]2C[5x3,6]Ru)(C[4x3,4,6]C[5x3,6]N[6x3]H[3]2H[4]H)(C[4x3,6]C[4x3,6]N[6x3]H[3]2HH)(H[4]H[4])(H)2	H[3](C[4x3,6]C[3,3,4,6]C[4x3,6]N[6x3]H[3]HH)(C[4x3,6]C[3x3,6]C[4x3,6]N[6x3]H[3]HH)	C[4x3,6](N[6x3]C[3,3,4,6]C[4x3,4,6]C[3x3,6]C[4x3,6]C[5x3,6]Ru)(C[3,3,4,6]C[4x3,4,6]N[6x3]H[4]HH)(C[4x3,6]C[3x3,6]N[6x3]H[3]2HH)(H[3]C[4x3,6])2(H)2{4|H<2>,5|H<1>}	C[3,3,4,6](N[6x3]C[4x3,4,6]C[3x3,6]C[4x3,6]2C[5x3,6]Ru)(C[4x3,4,6]C[5x3,6]N[6x3]H[3]2H[4]H)(C[4x3,6]C[4x3,6]N[6x3]H[3]2HH)(H[4]H[4])(H)2{1|H<2>,6|H<1>}	H[3](C[4x3,6]C[3,3,4,6]C[4x3,6]N[6x3]H[3]HH)(C[4x3,6]C[3x3,6]C[4x3,6]N[6x3]H[3]HH)	151.2805	6.447	2	151.2805	41.560	2	151.2805	41.560	2	151.2805	41.560	2	151.2805	41.560	2	105.0541	2318.801	19
238	362	968	0:SPD7_SP-NON_SPD6	C[4x3,6]	C[3x3,6]	H[3]	7:6:7:2:2:1:1:	7:8:7:3:1:1:	7:7:	C[6x3]-7:C[3x3,6]-6:C[4x3,6]-7:H[3]-2:H[3]-2:H-1:H-1:	C[6x3]-7:C[5x3,6]-8:C[4x3,6]-7:H[3,3]-3:H-1:H-1:	C[4x3,6]-7:C[4x3,6]-7:	C[4x3,6](C[6x3]C[3x3,6]2C[4x3,6]2C[5x3,6]C[6a])(C[3x3,6]C[5x3,6]C[6x3]H[3,3]HH)(C[4x3,6]C[3x3,6]C[6x3]H[3]2HH)(H[3]C[4x3,6])2(H)2	C[3x3,6](C[6x3]C[3x3,6]C[4x3,6]3C[5x3,6]C[6a])(C[5x3,6]C[4x3,6]C[6x3]H[3,3]H[3]2HH)(C[4x3,6]C[4x3,6]C[6x3]H[3]2HH)(H[3,3]C[5x3,6]H[3])(H)2	H[3](C[4x3,6]C[3x3,6]C[4x3,6]C[6x3]H[3]HH)2	C[4x3,6](C[6x3]C[3x3,6]2C[4x3,6]2C[5x3,6]C[6a])(C[3x3,6]C[5x3,6]C[6x3]H[3,3]HH)(C[4x3,6]C[3x3,6]C[6x3]H[3]2HH)(H[3]C[4x3,6])2(H)2{2|C<3>,3|H<2>,6|H<1>}	C[3x3,6](C[6x3]C[3x3,6]C[4x3,6]3C[5x3,6]C[6a])(C[5x3,6]C[4x3,6]C[6x3]H[3,3]H[3]2HH)(C[4x3,6]C[4x3,6]C[6x3]H[3]2HH)(H[3,3]C[5x3,6]H[3])(H)2{1|H<2>,2|C<3>,6|H<1>}	H[3](C[4x3,6]C[3x3,6]C[4x3,6]C[6x3]H[3]HH)2	151.9980	5.306	2	151.9980	28.155	2	151.9980	28.155	2	151.9980	28.155	2	151.9980	28.155	2	105.0541	2318.801	19
238	362	968	0:SPD7_SP-NON_SPD6	C[4x3]	C[3x3]	H[3]	6:5:5:3:2:1:1:	7:5:6:3:1:1:	7:3:	C[3x3]-6:C[3,3]-5:N[3x3]-5:H[3,3]-3:H[3]-2:H-1:H-1:	C[4x3]-7:N[3x3]-5:C[3x3]-6:H[3,3]-3:H-1:H-1:	C[4x3]-7:H[3,3]-3:	C[4x3](C[3x3]C[3x3]H[3,3]N[3x3]HH)(C[3,3]H[3,3]N[3x3]HH)(N[3x3]C[3,3]C[3x3]2C)(H[3,3]C[3,3]H[3])(H[3]H[3,3])(H)2	C[3x3](C[4x3]C[3,3]H[3,3]N[3x3]H[3]HH)(N[3x3]C[3,3]C[3x3]C[4x3]C)(C[3x3]H[3,3]N[3x3]H[3]HH)(H[3,3]C[3x3]H[3])(H)2	H[3](C[4x3]C[3,3]C[3x3]H[3,3]N[3x3]HH)(H[3,3]C[3,3]C[4x3])	C[4x3](C[3x3]C[3x3]H[3,3]N[3x3]HH)(C[3,3]H[3,3]N[3x3]HH)(N[3x3]C[3,3]C[3x3]2C)(H[3,3]C[3,3]H[3])(H[3]H[3,3])(H)2{1|H<2>,2|H<1>}	C[3x3](C[4x3]C[3,3]H[3,3]N[3x3]H[3]HH)(N[3x3]C[3,3]C[3x3]C[4x3]C)(C[3x3]H[3,3]N[3x3]H[3]HH)(H[3,3]C[3x3]H[3])(H)2{2|H<1>}	H[3](C[4x3]C[3,3]C[3x3]H[3,3]N[3x3]HH)(H[3,3]C[3,3]C[4x3])	143.0350	0.000	1	143.0350	0.000	1	143.0350	0.000	1	143.0350	0.000	1	67.4080	1791.674	5	105.0541	2318.801	19
238	362	968	0:SPD7_SP-NON_SPD6	C[4x3]	C[3x3]	H[3]	7:7:6:2:2:1:1:	7:7:2:2:1:1:	7:6:	C[3x3,3x4]-7:C[4x3]-7:C[3x3]-6:H[3]-2:H[3]-2:H-1:H-1:	C[3x3,3x4]-7:C[4x3]-7:H[3]-2:H[3]-2:H-1:H-1:	C[4x3]-7:C[3x3]-6:	C[4x3](C[3x3,3x4]C[3,6x4]C[3x3]2C[4x3]C[6x4]C[6a])(C[4x3]C[3x3,3x4]C[3x3]H[3]2HH)(C[3x3]C[3x3,3x4]H[3]2HH)(H[3]C[3x3])2(H)2	C[3x3](C[3x3,3x4]C[3,6x4]C[3x3]C[4x3]2C[6x4]C[6a])(C[4x3]C[3x3,3x4]C[4x3]H[3]2HH)(H[3]C[4x3])2(H)2	H[3](C[4x3]C[3x3,3x4]C[3x3]C[4x3]H[3]HH)(C[3x3]C[3x3,3x4]C[4x3]H[3]HH)	C[4x3](C[3x3,3x4]C[3,6x4]C[3x3]2C[4x3]C[6x4]C[6a])(C[4x3]C[3x3,3x4]C[3x3]H[3]2HH)(C[3x3]C[3x3,3x4]H[3]2HH)(H[3]C[3x3])2(H)2{1|H<3>,2|C<3>,3|H<2>,4|H<1>}	C[3x3](C[3x3,3x4]C[3,6x4]C[3x3]C[4x3]2C[6x4]C[6a])(C[4x3]C[3x3,3x4]C[4x3]H[3]2HH)(H[3]C[4x3])2(H)2{1|H<3>,2|C<3>,5|H<2>,6|H<1>}	H[3](C[4x3]C[3x3,3x4]C[3x3]C[4x3]H[3]HH)(C[3x3]C[3x3,3x4]C[4x3]H[3]HH)	48.5013	2.408	4	48.5013	5.800	4	48.5013	5.800	4	48.5013	5.800	4	67.4080	1791.674	5	105.0541	2318.801	19
238	362	968	0:SPD7_SP-NON_SPD6	C[6x3,4,4]	C[4x3,4,4,5]	H[3]	6:5:4:4:3:2:1:	7:5:4:3:2:1:	7:3:	C[4x3,4,4,5]-6:C[4x3,4,4,5]-5:C[3,4x4,5]-4:O[4x3,4,4]-4:H[3,3]-3:H[3]-2:H-1:	C[6x3,4,4]-7:C[4x3,4,4,5]-5:O[4x3,4,4]-4:H[3,4,4,5]-3:H[3]-2:H-1:	C[6x3,4,4]-7:H[3,3]-3:	C[6x3,4,4](C[4x3,4,4,5]C[4x3,4,4,5]H[3,4,4,5]O[4x3,4,4]H[3]H)(C[4x3,4,4,5]C[4x3,4,4,5]O[4x3,4,4]C[4,4,5]H[3,3])(C[3,4x4,5]H[3,4,4,5]O[4x3,4,4]C[4,4,5])(O[4x3,4,4]C[4x3,4,4,5]2C[3,4x4,5])(H[3,3]C[4x3,4,4,5]H[3])(H[3]H[3,3])(H)	C[4x3,4,4,5](C[6x3,4,4]C[4x3,4,4,5]C[3,4x4,5]O[4x3,4,4]H[3,3]H[3]H)(C[4x3,4,4,5]C[6x3,4,4]O[4x3,4,4]C[4,4,5]H[3,3])(O[4x3,4,4]C[4x3,4,4,5]C[3,4x4,5]C[6x3,4,4])(H[3,4,4,5]C[3,4x4,5]H[3])(H[3]H[3,4,4,5])(H)	H[3](C[6x3,4,4]C[4x3,4,4,5]2C[3,4x4,5]O[4x3,4,4]H[3,3]H)(H[3,3]C[4x3,4,4,5]C[6x3,4,4])	C[6x3,4,4](C[4x3,4,4,5]C[4x3,4,4,5]H[3,4,4,5]O[4x3,4,4]H[3]H)(C[4x3,4,4,5]C[4x3,4,4,5]O[4x3,4,4]C[4,4,5]H[3,3])(C[3,4x4,5]H[3,4,4,5]O[4x3,4,4]C[4,4,5])(O[4x3,4,4]C[4x3,4,4,5]2C[3,4x4,5])(H[3,3]C[4x3,4,4,5]H[3])(H[3]H[3,3])(H){1|O<2>,2|H<1>}	C[4x3,4,4,5](C[6x3,4,4]C[4x3,4,4,5]C[3,4x4,5]O[4x3,4,4]H[3,3]H[3]H)(C[4x3,4,4,5]C[6x3,4,4]O[4x3,4,4]C[4,4,5]H[3,3])(O[4x3,4,4]C[4x3,4,4,5]C[3,4x4,5]C[6x3,4,4])(H[3,4,4,5]C[3,4x4,5]H[3])(H[3]H[3,4,4,5])(H){1|O<2>,2|H<1>}	H[3](C[6x3,4,4]C[4x3,4,4,5]2C[3,4x4,5]O[4x3,4,4]H[3,3]H)(H[3,3]C[4x3,4,4,5]C[6x3,4,4])	156.8900	0.000	1	156.8900	0.000	1	156.8900	0.000	1	156.8900	0.000	1	156.8900	0.000	1	105.0541	2318.801	19
238	398	486	0:SPD7_SP-NON_SP3	C[6x3,4,4]	H[3,3]	C[3,4x4,5]	6:5:4:4:3:2:1:	5:7:2:	7:4:3:5:	C[4x3,4,4,5]-6:C[4x3,4,4,5]-5:C[3,4x4,5]-4:O[4x3,4,4]-4:H[3,3]-3:H[3]-2:H-1:	C[4x3,4,4,5]-5:C[6x3,4,4]-7:H[3]-2:	C[6x3,4,4]-7:O[4x3,4,4]-4:H[3,4,4,5]-3:C[4,4,5]-5:	C[6x3,4,4](C[4x3,4,4,5]C[4x3,4,4,5]H[3,4,4,5]O[4x3,4,4]H[3]H)(C[4x3,4,4,5]C[4x3,4,4,5]O[4x3,4,4]C[4,4,5]H[3,3])(C[3,4x4,5]H[3,4,4,5]O[4x3,4,4]C[4,4,5])(O[4x3,4,4]C[4x3,4,4,5]2C[3,4x4,5])(H[3,3]C[4x3,4,4,5]H[3])(H[3]H[3,3])(H)	H[3,3](C[4x3,4,4,5]C[4x3,4,4,5]C[6x3,4,4]O[4x3,4,4]C[4,4,5])(C[6x3,4,4]C[4x3,4,4,5]2C[3,4x4,5]O[4x3,4,4]H[3]H)(H[3]C[6x3,4,4])	C[3,4x4,5](C[6x3,4,4]C[4x3,4,4,5]2O[4x3,4,4]H[3,3]H[3]H)(O[4x3,4,4]C[4x3,4,4,5]2C[6x3,4,4])(H[3,4,4,5]C[4x3,4,4,5]H[3])(C[4,4,5]C[4x3,4,4,5]HHO)	C[6x3,4,4](C[4x3,4,4,5]C[4x3,4,4,5]H[3,4,4,5]O[4x3,4,4]H[3]H)(C[4x3,4,4,5]C[4x3,4,4,5]O[4x3,4,4]C[4,4,5]H[3,3])(C[3,4x4,5]H[3,4,4,5]O[4x3,4,4]C[4,4,5])(O[4x3,4,4]C[4x3,4,4,5]2C[3,4x4,5])(H[3,3]C[4x3,4,4,5]H[3])(H[3]H[3,3])(H){1|O<2>,2|H<1>}	H[3,3](C[4x3,4,4,5]C[4x3,4,4,5]C[6x3,4,4]O[4x3,4,4]C[4,4,5])(C[6x3,4,4]C[4x3,4,4,5]2C[3,4x4,5]O[4x3,4,4]H[3]H)(H[3]C[6x3,4,4])	C[3,4x4,5](C[6x3,4,4]C[4x3,4,4,5]2O[4x3,4,4]H[3,3]H[3]H)(O[4x3,4,4]C[4x3,4,4,5]2C[6x3,4,4])(H[3,4,4,5]C[4x3,4,4,5]H[3])(C[4,4,5]C[4x3,4,4,5]HHO){1|H<1>}	88.4892	0.000	1	88.4892	0.000	1	88.4892	0.000	1	88.4892	0.000	1	88.4892	0.000	1	88.4892	0.000	1
238	398	778	0:SPD7_SP-NON_SPD5	C[4x3]	H[3,3]	C[3,3]	6:5:5:3:2:1:1:	7:5:2:	7:5:3:1:1:	C[3x3]-6:C[3,3]-5:N[3x3]-5:H[3,3]-3:H[3]-2:H-1:H-1:	C[4x3]-7:C[3,3]-5:H[3]-2:	C[4x3]-7:N[3x3]-5:H[3,3]-3:H-1:H-1:	C[4x3](C[3x3]C[3x3]H[3,3]N[3x3]HH)(C[3,3]H[3,3]N[3x3]HH)(N[3x3]C[3,3]C[3x3]2C)(H[3,3]C[3,3]H[3])(H[3]H[3,3])(H)2	H[3,3](C[4x3]C[3,3]C[3x3]N[3x3]H[3]HH)(C[3,3]C[4x3]N[3x3]HH)(H[3]C[4x3])	C[3,3](C[4x3]C[3x3]H[3,3]N[3x3]H[3]HH)(N[3x3]C[3x3]2C[4x3]C)(H[3,3]C[4x3]H[3])(H)2	C[4x3](C[3x3]C[3x3]H[3,3]N[3x3]HH)(C[3,3]H[3,3]N[3x3]HH)(N[3x3]C[3,3]C[3x3]2C)(H[3,3]C[3,3]H[3])(H[3]H[3,3])(H)2{1|H<2>,2|H<1>}	H[3,3](C[4x3]C[3,3]C[3x3]N[3x3]H[3]HH)(C[3,3]C[4x3]N[3x3]HH)(H[3]C[4x3])	C[3,3](C[4x3]C[3x3]H[3,3]N[3x3]H[3]HH)(N[3x3]C[3x3]2C[4x3]C)(H[3,3]C[4x3]H[3])(H)2{1|H<2>,1|H<3>,4|H<1>}	53.0255	0.000	1	53.0255	0.000	1	53.0255	0.000	1	53.0255	0.000	1	53.0255	0.000	1	57.9137	47.789	2
238	398	778	0:SPD7_SP-NON_SPD5	C[6x3,4,4]	H[3,3]	C[4x3,4,4,5]	6:5:4:4:3:2:1:	5:7:2:	7:6:4:5:3:	C[4x3,4,4,5]-6:C[4x3,4,4,5]-5:C[3,4x4,5]-4:O[4x3,4,4]-4:H[3,3]-3:H[3]-2:H-1:	C[4x3,4,4,5]-5:C[6x3,4,4]-7:H[3]-2:	C[6x3,4,4]-7:C[4x3,4,4,5]-6:O[4x3,4,4]-4:C[4,4,5]-5:H[3,3]-3:	C[6x3,4,4](C[4x3,4,4,5]C[4x3,4,4,5]H[3,4,4,5]O[4x3,4,4]H[3]H)(C[4x3,4,4,5]C[4x3,4,4,5]O[4x3,4,4]C[4,4,5]H[3,3])(C[3,4x4,5]H[3,4,4,5]O[4x3,4,4]C[4,4,5])(O[4x3,4,4]C[4x3,4,4,5]2C[3,4x4,5])(H[3,3]C[4x3,4,4,5]H[3])(H[3]H[3,3])(H)	H[3,3](C[4x3,4,4,5]C[4x3,4,4,5]C[6x3,4,4]O[4x3,4,4]C[4,4,5])(C[6x3,4,4]C[4x3,4,4,5]2C[3,4x4,5]O[4x3,4,4]H[3]H)(H[3]C[6x3,4,4])	C[4x3,4,4,5](C[6x3,4,4]C[4x3,4,4,5]C[3,4x4,5]O[4x3,4,4]H[3,3]H[3]H)(C[4x3,4,4,5]C[6x3,4,4]H[3,4,4,5]O[4x3,4,4]H[3]H)(O[4x3,4,4]C[4x3,4,4,5]C[3,4x4,5]C[6x3,4,4])(C[4,4,5]C[3,4x4,5]HHO)(H[3,3]C[6x3,4,4]H[3])	C[6x3,4,4](C[4x3,4,4,5]C[4x3,4,4,5]H[3,4,4,5]O[4x3,4,4]H[3]H)(C[4x3,4,4,5]C[4x3,4,4,5]O[4x3,4,4]C[4,4,5]H[3,3])(C[3,4x4,5]H[3,4,4,5]O[4x3,4,4]C[4,4,5])(O[4x3,4,4]C[4x3,4,4,5]2C[3,4x4,5])(H[3,3]C[4x3,4,4,5]H[3])(H[3]H[3,3])(H){1|O<2>,2|H<1>}	H[3,3](C[4x3,4,4,5]C[4x3,4,4,5]C[6x3,4,4]O[4x3,4,4]C[4,4,5])(C[6x3,4,4]C[4x3,4,4,5]2C[3,4x4,5]O[4x3,4,4]H[3]H)(H[3]C[6x3,4,4])	C[4x3,4,4,5](C[6x3,4,4]C[4x3,4,4,5]C[3,4x4,5]O[4x3,4,4]H[3,3]H[3]H)(C[4x3,4,4,5]C[6x3,4,4]H[3,4,4,5]O[4x3,4,4]H[3]H)(O[4x3,4,4]C[4x3,4,4,5]C[3,4x4,5]C[6x3,4,4])(C[4,4,5]C[3,4x4,5]HHO)(H[3,3]C[6x3,4,4]H[3])	62.8019	0.000	1	62.8019	0.000	1	62.8019	0.000	1	62.8019	0.000	1	62.8019	0.000	1	57.9137	47.789	2
238	398	782	0:SPD7_SP-NON_SPD5	C[4x3]	H[3,3]	N[3x3]	6:5:5:3:2:1:1:	7:5:2:	7:6:6:5:2:	C[3x3]-6:C[3,3]-5:N[3x3]-5:H[3,3]-3:H[3]-2:H-1:H-1:	C[4x3]-7:C[3,3]-5:H[3]-2:	C[4x3]-7:C[3x3]-6:C[3x3]-6:C[3,3]-5:C-2:	C[4x3](C[3x3]C[3x3]H[3,3]N[3x3]HH)(C[3,3]H[3,3]N[3x3]HH)(N[3x3]C[3,3]C[3x3]2C)(H[3,3]C[3,3]H[3])(H[3]H[3,3])(H)2	H[3,3](C[4x3]C[3,3]C[3x3]N[3x3]H[3]HH)(C[3,3]C[4x3]N[3x3]HH)(H[3]C[4x3])	N[3x3](C[4x3]C[3,3]C[3x3]H[3,3]H[3]HH)(C[3x3]C[3x3]C[4x3]H[3,3]HH)(C[3x3]C[3x3]H[3,3]H[3]HH)(C[3,3]C[4x3]H[3,3]HH)(CN)	C[4x3](C[3x3]C[3x3]H[3,3]N[3x3]HH)(C[3,3]H[3,3]N[3x3]HH)(N[3x3]C[3,3]C[3x3]2C)(H[3,3]C[3,3]H[3])(H[3]H[3,3])(H)2{1|H<2>,2|H<1>}	H[3,3](C[4x3]C[3,3]C[3x3]N[3x3]H[3]HH)(C[3,3]C[4x3]N[3x3]HH)(H[3]C[4x3])	N[3x3](C[4x3]C[3,3]C[3x3]H[3,3]H[3]HH)(C[3x3]C[3x3]C[4x3]H[3,3]HH)(C[3x3]C[3x3]H[3,3]H[3]HH)(C[3,3]C[4x3]H[3,3]HH)(CN)	109.4670	0.000	1	109.4670	0.000	1	109.4670	0.000	1	109.4670	0.000	1	109.4670	0.000	1	109.4670	0.000	1
238	398	802	0:SPD7_SP-NON_SP-NON	C[3,3,3x4]	H[3,4,4]	H[4,4]	7:7:3:2:2:1:1:	7:4:2:	7:4:	C[4x3,4,4]-7:C[4x3]-7:H[3,4,4]-3:H[3]-2:H[4,4]-2:H-1:H-1:	C[3,3,3x4]-7:C[3x4]-4:H[3]-2:	C[3,3,3x4]-7:C[3x4]-4:	C[3,3,3x4](C[4x3,4,4]C[3x3]C[3x4]C[4x3]2C[5x3]C[6a])(C[4x3]C[4x3,4,4]C[4x3]H[3]2HH)(H[3,4,4]C[3x4]H[3])(H[3]H[3,4,4])(H[4,4]C[3x4])(H)2	H[3,4,4](C[3,3,3x4]C[4x3,4,4]C[4x3]H[4,4]H[3]HH)(C[3x4]C[4x3,4,4]H[4,4]H)(H[3]C[3,3,3x4])	H[4,4](C[3,3,3x4]C[4x3,4,4]H[3,4,4]C[4x3]H[3]HH)(C[3x4]C[4x3,4,4]H[3,4,4]H)	C[3,3,3x4](C[4x3,4,4]C[3x3]C[3x4]C[4x3]2C[5x3]C[6a])(C[4x3]C[4x3,4,4]C[4x3]H[3]2HH)(H[3,4,4]C[3x4]H[3])(H[3]H[3,4,4])(H[4,4]C[3x4])(H)2{1|H<3>,2|C<3>,2|H<2>,6|H<1>}	H[3,4,4](C[3,3,3x4]C[4x3,4,4]C[4x3]H[4,4]H[3]HH)(C[3x4]C[4x3,4,4]H[4,4]H)(H[3]C[3,3,3x4])	H[4,4](C[3,3,3x4]C[4x3,4,4]H[3,4,4]C[4x3]H[3]HH)(C[3x4]C[4x3,4,4]H[3,4,4]H)	96.5005	0.000	1	96.5005	0.000	1	96.5005	0.000	1	96.5005	0.000	1	96.5005	0.000	1	120.9135	447.032	3
238	398	802	0:SPD7_SP-NON_SP-NON	C[4x3,4,6]	H[3,3]	H[4]	7:7:6:3:2:2:1:	7:6:2:	7:2:	C[6x3]-7:C[4x3,4,6]-7:C[3x3,4,6]-6:H[3,3]-3:H[3]-2:H[4]-2:H-1:	C[4x3,4,6]-7:C[3x3,4,6]-6:H[3]-2:	C[4x3,4,6]-7:H[4]-2:	C[4x3,4,6](C[6x3]C[3,3,4,4,6]2C[3x3,4,6]2C[4x3,4,6]C[6])(C[4x3,4,6]C[3x3,4,6]C[6x3]H[3,3]H[3]H[4]H)(C[3x3,4,6]C[3,3,4,4,6]C[6x3]H[3,3]H[4]H)(H[3,3]C[3x3,4,6]H[3])(H[3]H[3,3])(H[4]H[4])(H)	H[3,3](C[4x3,4,6]C[3x3,4,6]C[4x3,4,6]C[6x3]H[3]H[4]H)(C[3x3,4,6]C[3,3,4,4,6]C[4x3,4,6]C[6x3]H[4]H)(H[3]C[4x3,4,6])	H[4](C[4x3,4,6]C[3x3,4,6]C[4x3,4,6]C[6x3]H[3,3]H[3]H)(H[4]C[4x3,4,6])	C[4x3,4,6](C[6x3]C[3,3,4,4,6]2C[3x3,4,6]2C[4x3,4,6]C[6])(C[4x3,4,6]C[3x3,4,6]C[6x3]H[3,3]H[3]H[4]H)(C[3x3,4,6]C[3,3,4,4,6]C[6x3]H[3,3]H[4]H)(H[3,3]C[3x3,4,6]H[3])(H[3]H[3,3])(H[4]H[4])(H){2|C<3>,3|H<1>,5|H<2>}	H[3,3](C[4x3,4,6]C[3x3,4,6]C[4x3,4,6]C[6x3]H[3]H[4]H)(C[3x3,4,6]C[3,3,4,4,6]C[4x3,4,6]C[6x3]H[4]H)(H[3]C[4x3,4,6])	H[4](C[4x3,4,6]C[3x3,4,6]C[4x3,4,6]C[6x3]H[3,3]H[3]H)(H[4]C[4x3,4,6])	133.1200	0.270	2	133.1200	0.073	2	133.1200	0.073	2	133.1200	0.073	2	133.1200	0.073	2	120.9135	447.032	3
238	398	920	0:SPD7_SP-NON_SP3	C[6x3,4,4]	H[3,3]	O[4x3,4,4]	6:5:4:4:3:2:1:	5:7:2:	6:5:7:4:	C[4x3,4,4,5]-6:C[4x3,4,4,5]-5:C[3,4x4,5]-4:O[4x3,4,4]-4:H[3,3]-3:H[3]-2:H-1:	C[4x3,4,4,5]-5:C[6x3,4,4]-7:H[3]-2:	C[4x3,4,4,5]-6:C[4x3,4,4,5]-5:C[6x3,4,4]-7:C[3,4x4,5]-4:	C[6x3,4,4](C[4x3,4,4,5]C[4x3,4,4,5]H[3,4,4,5]O[4x3,4,4]H[3]H)(C[4x3,4,4,5]C[4x3,4,4,5]O[4x3,4,4]C[4,4,5]H[3,3])(C[3,4x4,5]H[3,4,4,5]O[4x3,4,4]C[4,4,5])(O[4x3,4,4]C[4x3,4,4,5]2C[3,4x4,5])(H[3,3]C[4x3,4,4,5]H[3])(H[3]H[3,3])(H)	H[3,3](C[4x3,4,4,5]C[4x3,4,4,5]C[6x3,4,4]O[4x3,4,4]C[4,4,5])(C[6x3,4,4]C[4x3,4,4,5]2C[3,4x4,5]O[4x3,4,4]H[3]H)(H[3]C[6x3,4,4])	O[4x3,4,4](C[4x3,4,4,5]C[4x3,4,4,5]C[6x3,4,4]H[3,4,4,5]H[3]H)(C[4x3,4,4,5]C[4x3,4,4,5]C[6x3,4,4]C[4,4,5]H[3,3])(C[6x3,4,4]C[4x3,4,4,5]2C[3,4x4,5]H[3,3]H[3]H)(C[3,4x4,5]C[6x3,4,4]H[3,4,4,5]C[4,4,5])	C[6x3,4,4](C[4x3,4,4,5]C[4x3,4,4,5]H[3,4,4,5]O[4x3,4,4]H[3]H)(C[4x3,4,4,5]C[4x3,4,4,5]O[4x3,4,4]C[4,4,5]H[3,3])(C[3,4x4,5]H[3,4,4,5]O[4x3,4,4]C[4,4,5])(O[4x3,4,4]C[4x3,4,4,5]2C[3,4x4,5])(H[3,3]C[4x3,4,4,5]H[3])(H[3]H[3,3])(H){1|O<2>,2|H<1>}	H[3,3](C[4x3,4,4,5]C[4x3,4,4,5]C[6x3,4,4]O[4x3,4,4]C[4,4,5])(C[6x3,4,4]C[4x3,4,4,5]2C[3,4x4,5]O[4x3,4,4]H[3]H)(H[3]C[6x3,4,4])	O[4x3,4,4](C[4x3,4,4,5]C[4x3,4,4,5]C[6x3,4,4]H[3,4,4,5]H[3]H)(C[4x3,4,4,5]C[4x3,4,4,5]C[6x3,4,4]C[4,4,5]H[3,3])(C[6x3,4,4]C[4x3,4,4,5]2C[3,4x4,5]H[3,3]H[3]H)(C[3,4x4,5]C[6x3,4,4]H[3,4,4,5]C[4,4,5]){1|O<2>,2|H<1>}	120.6880	0.000	1	120.6880	0.000	1	120.6880	0.000	1	120.6880	0.000	1	120.6880	0.000	1	120.6880	0.000	1
238	398	951	0:SPD7_SP-NON_SP-NON	C[3,3,3x4]	H[3,4,4]	H	7:7:3:2:2:1:1:	7:4:2:	7:	C[4x3,4,4]-7:C[4x3]-7:H[3,4,4]-3:H[3]-2:H[4,4]-2:H-1:H-1:	C[3,3,3x4]-7:C[3x4]-4:H[3]-2:	C[3,3,3x4]-7:	C[3,3,3x4](C[4x3,4,4]C[3x3]C[3x4]C[4x3]2C[5x3]C[6a])(C[4x3]C[4x3,4,4]C[4x3]H[3]2HH)(H[3,4,4]C[3x4]H[3])(H[3]H[3,4,4])(H[4,4]C[3x4])(H)2	H[3,4,4](C[3,3,3x4]C[4x3,4,4]C[4x3]H[4,4]H[3]HH)(C[3x4]C[4x3,4,4]H[4,4]H)(H[3]C[3,3,3x4])	H(C[3,3,3x4]C[4x3,4,4]H[3,4,4]C[4x3]H[4,4]H[3]H)	C[3,3,3x4](C[4x3,4,4]C[3x3]C[3x4]C[4x3]2C[5x3]C[6a])(C[4x3]C[4x3,4,4]C[4x3]H[3]2HH)(H[3,4,4]C[3x4]H[3])(H[3]H[3,4,4])(H[4,4]C[3x4])(H)2{1|H<3>,2|C<3>,2|H<2>,6|H<1>}	H[3,4,4](C[3,3,3x4]C[4x3,4,4]C[4x3]H[4,4]H[3]HH)(C[3x4]C[4x3,4,4]H[4,4]H)(H[3]C[3,3,3x4])	H(C[3,3,3x4]C[4x3,4,4]H[3,4,4]C[4x3]H[4,4]H[3]H)	108.9682	43.343	2	108.9682	1878.581	2	108.9682	1878.581	2	108.9682	1878.581	2	108.9682	1878.581	2	105.8253	684.128	7
238	398	951	0:SPD7_SP-NON_SP-NON	C[4x3,4,6]	H[3,3]	H	7:7:6:3:2:2:1:	7:6:2:	7:	C[6x3]-7:C[4x3,4,6]-7:C[3x3,4,6]-6:H[3,3]-3:H[3]-2:H[4]-2:H-1:	C[4x3,4,6]-7:C[3x3,4,6]-6:H[3]-2:	C[4x3,4,6]-7:	C[4x3,4,6](C[6x3]C[3,3,4,4,6]2C[3x3,4,6]2C[4x3,4,6]C[6])(C[4x3,4,6]C[3x3,4,6]C[6x3]H[3,3]H[3]H[4]H)(C[3x3,4,6]C[3,3,4,4,6]C[6x3]H[3,3]H[4]H)(H[3,3]C[3x3,4,6]H[3])(H[3]H[3,3])(H[4]H[4])(H)	H[3,3](C[4x3,4,6]C[3x3,4,6]C[4x3,4,6]C[6x3]H[3]H[4]H)(C[3x3,4,6]C[3,3,4,4,6]C[4x3,4,6]C[6x3]H[4]H)(H[3]C[4x3,4,6])	H(C[4x3,4,6]C[3x3,4,6]C[4x3,4,6]C[6x3]H[3,3]H[3]H[4])	C[4x3,4,6](C[6x3]C[3,3,4,4,6]2C[3x3,4,6]2C[4x3,4,6]C[6])(C[4x3,4,6]C[3x3,4,6]C[6x3]H[3,3]H[3]H[4]H)(C[3x3,4,6]C[3,3,4,4,6]C[6x3]H[3,3]H[4]H)(H[3,3]C[3x3,4,6]H[3])(H[3]H[3,3])(H[4]H[4])(H){2|C<3>,3|H<1>,5|H<2>}	H[3,3](C[4x3,4,6]C[3x3,4,6]C[4x3,4,6]C[6x3]H[3]H[4]H)(C[3x3,4,6]C[3,3,4,4,6]C[4x3,4,6]C[6x3]H[4]H)(H[3]C[4x3,4,6])	H(C[4x3,4,6]C[3x3,4,6]C[4x3,4,6]C[6x3]H[3,3]H[3]H[4])	97.9239	0.395	2	97.9239	0.156	2	97.9239	0.156	2	97.9239	0.156	2	97.9239	0.156	2	105.8253	684.128	7
238	398	951	0:SPD7_SP-NON_SP-NON	C[4x3]	H[3,3]	H	6:5:5:3:2:1:1:	7:5:2:	7:	C[3x3]-6:C[3,3]-5:N[3x3]-5:H[3,3]-3:H[3]-2:H-1:H-1:	C[4x3]-7:C[3,3]-5:H[3]-2:	C[4x3]-7:	C[4x3](C[3x3]C[3x3]H[3,3]N[3x3]HH)(C[3,3]H[3,3]N[3x3]HH)(N[3x3]C[3,3]C[3x3]2C)(H[3,3]C[3,3]H[3])(H[3]H[3,3])(H)2	H[3,3](C[4x3]C[3,3]C[3x3]N[3x3]H[3]HH)(C[3,3]C[4x3]N[3x3]HH)(H[3]C[4x3])	H(C[4x3]C[3,3]C[3x3]H[3,3]N[3x3]H[3]H)	C[4x3](C[3x3]C[3x3]H[3,3]N[3x3]HH)(C[3,3]H[3,3]N[3x3]HH)(N[3x3]C[3,3]C[3x3]2C)(H[3,3]C[3,3]H[3])(H[3]H[3,3])(H)2{1|H<2>,2|H<1>}	H[3,3](C[4x3]C[3,3]C[3x3]N[3x3]H[3]HH)(C[3,3]C[4x3]N[3x3]HH)(H[3]C[4x3])	H(C[4x3]C[3,3]C[3x3]H[3,3]N[3x3]H[3]H)	105.3940	44.422	2	105.3940	1973.302	2	105.3940	1973.302	2	105.3940	1973.302	2	105.3940	1973.302	2	105.8253	684.128	7
238	398	951	0:SPD7_SP-NON_SP-NON	C[6x3,4,4]	H[3,3]	H	6:5:4:4:3:2:1:	5:7:2:	7:	C[4x3,4,4,5]-6:C[4x3,4,4,5]-5:C[3,4x4,5]-4:O[4x3,4,4]-4:H[3,3]-3:H[3]-2:H-1:	C[4x3,4,4,5]-5:C[6x3,4,4]-7:H[3]-2:	C[6x3,4,4]-7:	C[6x3,4,4](C[4x3,4,4,5]C[4x3,4,4,5]H[3,4,4,5]O[4x3,4,4]H[3]H)(C[4x3,4,4,5]C[4x3,4,4,5]O[4x3,4,4]C[4,4,5]H[3,3])(C[3,4x4,5]H[3,4,4,5]O[4x3,4,4]C[4,4,5])(O[4x3,4,4]C[4x3,4,4,5]2C[3,4x4,5])(H[3,3]C[4x3,4,4,5]H[3])(H[3]H[3,3])(H)	H[3,3](C[4x3,4,4,5]C[4x3,4,4,5]C[6x3,4,4]O[4x3,4,4]C[4,4,5])(C[6x3,4,4]C[4x3,4,4,5]2C[3,4x4,5]O[4x3,4,4]H[3]H)(H[3]C[6x3,4,4])	H(C[6x3,4,4]C[4x3,4,4,5]2C[3,4x4,5]O[4x3,4,4]H[3,3]H[3])	C[6x3,4,4](C[4x3,4,4,5]C[4x3,4,4,5]H[3,4,4,5]O[4x3,4,4]H[3]H)(C[4x3,4,4,5]C[4x3,4,4,5]O[4x3,4,4]C[4,4,5]H[3,3])(C[3,4x4,5]H[3,4,4,5]O[4x3,4,4]C[4,4,5])(O[4x3,4,4]C[4x3,4,4,5]2C[3,4x4,5])(H[3,3]C[4x3,4,4,5]H[3])(H[3]H[3,3])(H){1|O<2>,2|H<1>}	H[3,3](C[4x3,4,4,5]C[4x3,4,4,5]C[6x3,4,4]O[4x3,4,4]C[4,4,5])(C[6x3,4,4]C[4x3,4,4,5]2C[3,4x4,5]O[4x3,4,4]H[3]H)(H[3]C[6x3,4,4])	H(C[6x3,4,4]C[4x3,4,4,5]2C[3,4x4,5]O[4x3,4,4]H[3,3]H[3])	116.2050	0.000	1	116.2050	0.000	1	116.2050	0.000	1	116.2050	0.000	1	116.2050	0.000	1	105.8253	684.128	7
238	398	968	0:SPD7_SP-NON_SP-NON	C[3,3,3x4]	H[3,4,4]	H[3]	7:7:3:2:2:1:1:	7:4:2:	7:3:	C[4x3,4,4]-7:C[4x3]-7:H[3,4,4]-3:H[3]-2:H[4,4]-2:H-1:H-1:	C[3,3,3x4]-7:C[3x4]-4:H[3]-2:	C[3,3,3x4]-7:H[3,4,4]-3:	C[3,3,3x4](C[4x3,4,4]C[3x3]C[3x4]C[4x3]2C[5x3]C[6a])(C[4x3]C[4x3,4,4]C[4x3]H[3]2HH)(H[3,4,4]C[3x4]H[3])(H[3]H[3,4,4])(H[4,4]C[3x4])(H)2	H[3,4,4](C[3,3,3x4]C[4x3,4,4]C[4x3]H[4,4]H[3]HH)(C[3x4]C[4x3,4,4]H[4,4]H)(H[3]C[3,3,3x4])	H[3](C[3,3,3x4]C[4x3,4,4]H[3,4,4]C[4x3]H[4,4]HH)(H[3,4,4]C[3,3,3x4]C[3x4])	C[3,3,3x4](C[4x3,4,4]C[3x3]C[3x4]C[4x3]2C[5x3]C[6a])(C[4x3]C[4x3,4,4]C[4x3]H[3]2HH)(H[3,4,4]C[3x4]H[3])(H[3]H[3,4,4])(H[4,4]C[3x4])(H)2{1|H<3>,2|C<3>,2|H<2>,6|H<1>}	H[3,4,4](C[3,3,3x4]C[4x3,4,4]C[4x3]H[4,4]H[3]HH)(C[3x4]C[4x3,4,4]H[4,4]H)(H[3]C[3,3,3x4])	H[3](C[3,3,3x4]C[4x3,4,4]H[3,4,4]C[4x3]H[4,4]HH)(H[3,4,4]C[3,3,3x4]C[3x4])	36.1883	0.000	1	36.1883	0.000	1	36.1883	0.000	1	36.1883	0.000	1	36.1883	0.000	1	31.5025	52.105	5
238	398	968	0:SPD7_SP-NON_SP-NON	C[4x3,4,6]	H[3,3]	H[3]	7:7:6:3:2:2:1:	7:6:2:	7:3:	C[6x3]-7:C[4x3,4,6]-7:C[3x3,4,6]-6:H[3,3]-3:H[3]-2:H[4]-2:H-1:	C[4x3,4,6]-7:C[3x3,4,6]-6:H[3]-2:	C[4x3,4,6]-7:H[3,3]-3:	C[4x3,4,6](C[6x3]C[3,3,4,4,6]2C[3x3,4,6]2C[4x3,4,6]C[6])(C[4x3,4,6]C[3x3,4,6]C[6x3]H[3,3]H[3]H[4]H)(C[3x3,4,6]C[3,3,4,4,6]C[6x3]H[3,3]H[4]H)(H[3,3]C[3x3,4,6]H[3])(H[3]H[3,3])(H[4]H[4])(H)	H[3,3](C[4x3,4,6]C[3x3,4,6]C[4x3,4,6]C[6x3]H[3]H[4]H)(C[3x3,4,6]C[3,3,4,4,6]C[4x3,4,6]C[6x3]H[4]H)(H[3]C[4x3,4,6])	H[3](C[4x3,4,6]C[3x3,4,6]C[4x3,4,6]C[6x3]H[3,3]H[4]H)(H[3,3]C[3x3,4,6]C[4x3,4,6])	C[4x3,4,6](C[6x3]C[3,3,4,4,6]2C[3x3,4,6]2C[4x3,4,6]C[6])(C[4x3,4,6]C[3x3,4,6]C[6x3]H[3,3]H[3]H[4]H)(C[3x3,4,6]C[3,3,4,4,6]C[6x3]H[3,3]H[4]H)(H[3,3]C[3x3,4,6]H[3])(H[3]H[3,3])(H[4]H[4])(H){2|C<3>,3|H<1>,5|H<2>}	H[3,3](C[4x3,4,6]C[3x3,4,6]C[4x3,4,6]C[6x3]H[3]H[4]H)(C[3x3,4,6]C[3,3,4,4,6]C[4x3,4,6]C[6x3]H[4]H)(H[3]C[4x3,4,6])	H[3](C[4x3,4,6]C[3x3,4,6]C[4x3,4,6]C[6x3]H[3,3]H[4]H)(H[3,3]C[3x3,4,6]C[4x3,4,6])	23.6739	0.329	2	23.6739	0.109	2	23.6739	0.109	2	23.6739	0.109	2	23.6739	0.109	2	31.5025	52.105	5
238	398	968	0:SPD7_SP-NON_SP-NON	C[4x3]	H[3,3]	H[3]	6:5:5:3:2:1:1:	7:5:2:	7:3:	C[3x3]-6:C[3,3]-5:N[3x3]-5:H[3,3]-3:H[3]-2:H-1:H-1:	C[4x3]-7:C[3,3]-5:H[3]-2:	C[4x3]-7:H[3,3]-3:	C[4x3](C[3x3]C[3x3]H[3,3]N[3x3]HH)(C[3,3]H[3,3]N[3x3]HH)(N[3x3]C[3,3]C[3x3]2C)(H[3,3]C[3,3]H[3])(H[3]H[3,3])(H)2	H[3,3](C[4x3]C[3,3]C[3x3]N[3x3]H[3]HH)(C[3,3]C[4x3]N[3x3]HH)(H[3]C[4x3])	H[3](C[4x3]C[3,3]C[3x3]H[3,3]N[3x3]HH)(H[3,3]C[3,3]C[4x3])	C[4x3](C[3x3]C[3x3]H[3,3]N[3x3]HH)(C[3,3]H[3,3]N[3x3]HH)(N[3x3]C[3,3]C[3x3]2C)(H[3,3]C[3,3]H[3])(H[3]H[3,3])(H)2{1|H<2>,2|H<1>}	H[3,3](C[4x3]C[3,3]C[3x3]N[3x3]H[3]HH)(C[3,3]C[4x3]N[3x3]HH)(H[3]C[4x3])	H[3](C[4x3]C[3,3]C[3x3]H[3,3]N[3x3]HH)(H[3,3]C[3,3]C[4x3])	38.3285	0.000	1	38.3285	0.000	1	38.3285	0.000	1	38.3285	0.000	1	38.3285	0.000	1	31.5025	52.105	5
238	398	968	0:SPD7_SP-NON_SP-NON	C[6x3,4,4]	H[3,3]	H[3]	6:5:4:4:3:2:1:	5:7:2:	7:3:	C[4x3,4,4,5]-6:C[4x3,4,4,5]-5:C[3,4x4,5]-4:O[4x3,4,4]-4:H[3,3]-3:H[3]-2:H-1:	C[4x3,4,4,5]-5:C[6x3,4,4]-7:H[3]-2:	C[6x3,4,4]-7:H[3,3]-3:	C[6x3,4,4](C[4x3,4,4,5]C[4x3,4,4,5]H[3,4,4,5]O[4x3,4,4]H[3]H)(C[4x3,4,4,5]C[4x3,4,4,5]O[4x3,4,4]C[4,4,5]H[3,3])(C[3,4x4,5]H[3,4,4,5]O[4x3,4,4]C[4,4,5])(O[4x3,4,4]C[4x3,4,4,5]2C[3,4x4,5])(H[3,3]C[4x3,4,4,5]H[3])(H[3]H[3,3])(H)	H[3,3](C[4x3,4,4,5]C[4x3,4,4,5]C[6x3,4,4]O[4x3,4,4]C[4,4,5])(C[6x3,4,4]C[4x3,4,4,5]2C[3,4x4,5]O[4x3,4,4]H[3]H)(H[3]C[6x3,4,4])	H[3](C[6x3,4,4]C[4x3,4,4,5]2C[3,4x4,5]O[4x3,4,4]H[3,3]H)(H[3,3]C[4x3,4,4,5]C[6x3,4,4])	C[6x3,4,4](C[4x3,4,4,5]C[4x3,4,4,5]H[3,4,4,5]O[4x3,4,4]H[3]H)(C[4x3,4,4,5]C[4x3,4,4,5]O[4x3,4,4]C[4,4,5]H[3,3])(C[3,4x4,5]H[3,4,4,5]O[4x3,4,4]C[4,4,5])(O[4x3,4,4]C[4x3,4,4,5]2C[3,4x4,5])(H[3,3]C[4x3,4,4,5]H[3])(H[3]H[3,3])(H){1|O<2>,2|H<1>}	H[3,3](C[4x3,4,4,5]C[4x3,4,4,5]C[6x3,4,4]O[4x3,4,4]C[4,4,5])(C[6x3,4,4]C[4x3,4,4,5]2C[3,4x4,5]O[4x3,4,4]H[3]H)(H[3]C[6x3,4,4])	H[3](C[6x3,4,4]C[4x3,4,4,5]2C[3,4x4,5]O[4x3,4,4]H[3,3]H)(H[3,3]C[4x3,4,4,5]C[6x3,4,4])	35.6482	0.000	1	35.6482	0.000	1	35.6482	0.000	1	35.6482	0.000	1	35.6482	0.000	1	31.5025	52.105	5
238	426	794	0:SPD7_SPD5_SPD6	C[3x3,3x4,5,5]	C[4,5,5]	C[4x4,5,5]	6:6:5:6:2:2:1:	7:2:2:1:1:1:	7:5:2:2:1:	C[3,3x4,4x5]-6:C[3x3,4,5,5]-6:C[4x4,5,5]-5:C[4,5,5]-6:H[3]-2:H[3]-2:H-1:	C[3x3,3x4,5,5]-7:H[4,5]-2:H[4,5]-2:H-1:H-1:H-1:	C[3x3,3x4,5,5]-7:S[4,5,5]-5:H[4,4,5]-2:H[4,4,5]-2:H-1:	C[3x3,3x4,5,5](C[3,3x4,4x5]C[3x3,4,5,5]C[4,5,5]H[4,4,5]2H)(C[3x3,4,5,5]C[3,3x4,4x5]S[4,5,5]H[3]2H)(C[4x4,5,5]H[4,4,5]2S[4,5,5]H)(C[4,5,5]H[4,5]2H3)(H[3]C[3x3,4,5,5])2(H)	C[4,5,5](C[3x3,3x4,5,5]C[3,3x4,4x5]C[3x3,4,5,5]C[4x4,5,5]H[3]2H)(H[4,5]C[4,5,5])2(H)3	C[4x4,5,5](C[3x3,3x4,5,5]C[3,3x4,4x5]C[3x3,4,5,5]C[4,5,5]H[3]2H)(S[4,5,5]C[3x3,4,5,5]C[5]OO)(H[4,4,5]C[3,3x4,4x5])2(H)	C[3x3,3x4,5,5](C[3,3x4,4x5]C[3x3,4,5,5]C[4,5,5]H[4,4,5]2H)(C[3x3,4,5,5]C[3,3x4,4x5]S[4,5,5]H[3]2H)(C[4x4,5,5]H[4,4,5]2S[4,5,5]H)(C[4,5,5]H[4,5]2H3)(H[3]C[3x3,4,5,5])2(H){1|C<4>,1|H<1>,2|O<1>}	C[4,5,5](C[3x3,3x4,5,5]C[3,3x4,4x5]C[3x3,4,5,5]C[4x4,5,5]H[3]2H)(H[4,5]C[4,5,5])2(H)3{1|S<5>,2|H<2>,3|H<1>}	C[4x4,5,5](C[3x3,3x4,5,5]C[3,3x4,4x5]C[3x3,4,5,5]C[4,5,5]H[3]2H)(S[4,5,5]C[3x3,4,5,5]C[5]OO)(H[4,4,5]C[3,3x4,4x5])2(H){2|H<2>,3|C<4>,6|H<1>}	110.0100	0.000	1	110.0100	0.000	1	110.0100	0.000	1	110.0100	0.000	1	110.0100	0.000	1	110.0100	0.000	1
238	426	951	0:SPD7_SP-NON_SPD6	C[3x3,3x4,5,5]	C[4,5,5]	H	6:6:5:6:2:2:1:	7:2:2:1:1:1:	7:	C[3,3x4,4x5]-6:C[3x3,4,5,5]-6:C[4x4,5,5]-5:C[4,5,5]-6:H[3]-2:H[3]-2:H-1:	C[3x3,3x4,5,5]-7:H[4,5]-2:H[4,5]-2:H-1:H-1:H-1:	C[3x3,3x4,5,5]-7:	C[3x3,3x4,5,5](C[3,3x4,4x5]C[3x3,4,5,5]C[4,5,5]H[4,4,5]2H)(C[3x3,4,5,5]C[3,3x4,4x5]S[4,5,5]H[3]2H)(C[4x4,5,5]H[4,4,5]2S[4,5,5]H)(C[4,5,5]H[4,5]2H3)(H[3]C[3x3,4,5,5])2(H)	C[4,5,5](C[3x3,3x4,5,5]C[3,3x4,4x5]C[3x3,4,5,5]C[4x4,5,5]H[3]2H)(H[4,5]C[4,5,5])2(H)3	H(C[3x3,3x4,5,5]C[3,3x4,4x5]C[3x3,4,5,5]C[4x4,5,5]C[4,5,5]H[3]2)	C[3x3,3x4,5,5](C[3,3x4,4x5]C[3x3,4,5,5]C[4,5,5]H[4,4,5]2H)(C[3x3,4,5,5]C[3,3x4,4x5]S[4,5,5]H[3]2H)(C[4x4,5,5]H[4,4,5]2S[4,5,5]H)(C[4,5,5]H[4,5]2H3)(H[3]C[3x3,4,5,5])2(H){1|C<4>,1|H<1>,2|O<1>}	C[4,5,5](C[3x3,3x4,5,5]C[3,3x4,4x5]C[3x3,4,5,5]C[4x4,5,5]H[3]2H)(H[4,5]C[4,5,5])2(H)3{1|S<5>,2|H<2>,3|H<1>}	H(C[3x3,3x4,5,5]C[3,3x4,4x5]C[3x3,4,5,5]C[4x4,5,5]C[4,5,5]H[3]2)	109.4480	0.000	1	109.4480	0.000	1	109.4480	0.000	1	109.4480	0.000	1	109.4480	0.000	1	109.4480	0.000	1
238	426	968	0:SPD7_SP-NON_SPD6	C[3x3,3x4,5,5]	C[4,5,5]	H[3]	6:6:5:6:2:2:1:	7:2:2:1:1:1:	7:6:	C[3,3x4,4x5]-6:C[3x3,4,5,5]-6:C[4x4,5,5]-5:C[4,5,5]-6:H[3]-2:H[3]-2:H-1:	C[3x3,3x4,5,5]-7:H[4,5]-2:H[4,5]-2:H-1:H-1:H-1:	C[3x3,3x4,5,5]-7:C[3x3,4,5,5]-6:	C[3x3,3x4,5,5](C[3,3x4,4x5]C[3x3,4,5,5]C[4,5,5]H[4,4,5]2H)(C[3x3,4,5,5]C[3,3x4,4x5]S[4,5,5]H[3]2H)(C[4x4,5,5]H[4,4,5]2S[4,5,5]H)(C[4,5,5]H[4,5]2H3)(H[3]C[3x3,4,5,5])2(H)	C[4,5,5](C[3x3,3x4,5,5]C[3,3x4,4x5]C[3x3,4,5,5]C[4x4,5,5]H[3]2H)(H[4,5]C[4,5,5])2(H)3	H[3](C[3x3,3x4,5,5]C[3,3x4,4x5]C[3x3,4,5,5]C[4x4,5,5]C[4,5,5]H[3]H)(C[3x3,4,5,5]C[3x3,3x4,5,5]C[3,3x4,4x5]S[4,5,5]H[3]H)	C[3x3,3x4,5,5](C[3,3x4,4x5]C[3x3,4,5,5]C[4,5,5]H[4,4,5]2H)(C[3x3,4,5,5]C[3,3x4,4x5]S[4,5,5]H[3]2H)(C[4x4,5,5]H[4,4,5]2S[4,5,5]H)(C[4,5,5]H[4,5]2H3)(H[3]C[3x3,4,5,5])2(H){1|C<4>,1|H<1>,2|O<1>}	C[4,5,5](C[3x3,3x4,5,5]C[3,3x4,4x5]C[3x3,4,5,5]C[4x4,5,5]H[3]2H)(H[4,5]C[4,5,5])2(H)3{1|S<5>,2|H<2>,3|H<1>}	H[3](C[3x3,3x4,5,5]C[3,3x4,4x5]C[3x3,4,5,5]C[4x4,5,5]C[4,5,5]H[3]H)(C[3x3,4,5,5]C[3x3,3x4,5,5]C[3,3x4,4x5]S[4,5,5]H[3]H)	123.7950	20.263	2	123.7950	410.583	2	123.7950	410.583	2	123.7950	410.583	2	123.7950	410.583	2	123.7950	410.583	2
238	466	478	0:SPD7_SP3_SP3	C[3x3,4]	C[6]	C[4]	6:4:5:3:4:4:2:	7:4:4:1:	7:2:1:1:	C[3x3]-6:C[3x3]-4:C[3,3]-5:C[3,3]-3:C[6]-4:C[4]-4:C[4]-2:	C[3x3,4]-7:C[3,6]-4:C[3,6]-4:H-1:	C[3x3,4]-7:H[4]-2:H-1:H-1:	C[3x3,4](C[3x3]C[3,3]C[3x3]C[3]HH)(C[3x3]C[3,3]C[3x3]H[3])(C[3,3]C[3x3]H[3]HH)(C[3,3]C[3x3]C[3])(C[6]C[3,6]2H)(C[4]H[4]HH)(C[4]H[4])	C[6](C[3x3,4]C[3,3]2C[3x3]2C[4]2)(C[3,6]C[3]C[6]O[3])(C[3,6]C[3,6]O[3]H)(H)	C[4](C[3x3,4]C[3,3]2C[3x3]2C[4]C[6])(H[4]C[4])(H)2	C[3x3,4](C[3x3]C[3,3]C[3x3]C[3]HH)(C[3x3]C[3,3]C[3x3]H[3])(C[3,3]C[3x3]H[3]HH)(C[3,3]C[3x3]C[3])(C[6]C[3,6]2H)(C[4]H[4]HH)(C[4]H[4]){2|O<2>,3|H<1>,4|C<4>}	C[6](C[3x3,4]C[3,3]2C[3x3]2C[4]2)(C[3,6]C[3]C[6]O[3])(C[3,6]C[3,6]O[3]H)(H){1|C<5>,2|H<2>,4|C<4>,8|H<1>}	C[4](C[3x3,4]C[3,3]2C[3x3]2C[4]C[6])(H[4]C[4])(H)2{1|C<5>,1|H<2>,2|C<4>,5|H<1>}	108.1400	0.000	1	108.1400	0.000	1	108.1400	0.000	1	108.1400	0.000	1	108.1400	0.000	1	108.1400	0.000	1
238	466	486	0:SPD7_SP3_SP3	C[3x3,4]	C[6]	C[3x3]	6:4:5:3:4:4:2:	7:4:4:1:	7:6:5:2:	C[3x3]-6:C[3x3]-4:C[3,3]-5:C[3,3]-3:C[6]-4:C[4]-4:C[4]-2:	C[3x3,4]-7:C[3,6]-4:C[3,6]-4:H-1:	C[3x3,4]-7:C[3x3]-6:C[3,3]-5:H[3]-2:	C[3x3,4](C[3x3]C[3,3]C[3x3]C[3]HH)(C[3x3]C[3,3]C[3x3]H[3])(C[3,3]C[3x3]H[3]HH)(C[3,3]C[3x3]C[3])(C[6]C[3,6]2H)(C[4]H[4]HH)(C[4]H[4])	C[6](C[3x3,4]C[3,3]2C[3x3]2C[4]2)(C[3,6]C[3]C[6]O[3])(C[3,6]C[3,6]O[3]H)(H)	C[3x3](C[3x3,4]C[3,3]2C[3x3]C[4]2C[6])(C[3x3]C[3x3,4]C[3,3]C[3]HH)(C[3,3]C[3x3,4]H[3]HH)(H[3]C[3,3])	C[3x3,4](C[3x3]C[3,3]C[3x3]C[3]HH)(C[3x3]C[3,3]C[3x3]H[3])(C[3,3]C[3x3]H[3]HH)(C[3,3]C[3x3]C[3])(C[6]C[3,6]2H)(C[4]H[4]HH)(C[4]H[4]){2|O<2>,3|H<1>,4|C<4>}	C[6](C[3x3,4]C[3,3]2C[3x3]2C[4]2)(C[3,6]C[3]C[6]O[3])(C[3,6]C[3,6]O[3]H)(H){1|C<5>,2|H<2>,4|C<4>,8|H<1>}	C[3x3](C[3x3,4]C[3,3]2C[3x3]C[4]2C[6])(C[3x3]C[3x3,4]C[3,3]C[3]HH)(C[3,3]C[3x3,4]H[3]HH)(H[3]C[3,3]){1|H<2>,3|C<4>,5|H<1>}	115.5620	0.000	1	115.5620	0.000	1	115.5620	0.000	1	115.5620	0.000	1	115.5620	0.000	1	115.5620	0.000	1
238	466	778	0:SPD7_SP3_SPD5	C[3x3,4]	C[6]	C[3,3]	6:4:5:3:4:4:2:	7:4:4:1:	7:4:2:1:1:	C[3x3]-6:C[3x3]-4:C[3,3]-5:C[3,3]-3:C[6]-4:C[4]-4:C[4]-2:	C[3x3,4]-7:C[3,6]-4:C[3,6]-4:H-1:	C[3x3,4]-7:C[3x3]-4:H[3]-2:H-1:H-1:	C[3x3,4](C[3x3]C[3,3]C[3x3]C[3]HH)(C[3x3]C[3,3]C[3x3]H[3])(C[3,3]C[3x3]H[3]HH)(C[3,3]C[3x3]C[3])(C[6]C[3,6]2H)(C[4]H[4]HH)(C[4]H[4])	C[6](C[3x3,4]C[3,3]2C[3x3]2C[4]2)(C[3,6]C[3]C[6]O[3])(C[3,6]C[3,6]O[3]H)(H)	C[3,3](C[3x3,4]C[3,3]C[3x3]2C[4]2C[6])(C[3x3]C[3x3,4]C[3x3]H[3])(H[3]C[3x3])(H)2	C[3x3,4](C[3x3]C[3,3]C[3x3]C[3]HH)(C[3x3]C[3,3]C[3x3]H[3])(C[3,3]C[3x3]H[3]HH)(C[3,3]C[3x3]C[3])(C[6]C[3,6]2H)(C[4]H[4]HH)(C[4]H[4]){2|O<2>,3|H<1>,4|C<4>}	C[6](C[3x3,4]C[3,3]2C[3x3]2C[4]2)(C[3,6]C[3]C[6]O[3])(C[3,6]C[3,6]O[3]H)(H){1|C<5>,2|H<2>,4|C<4>,8|H<1>}	C[3,3](C[3x3,4]C[3,3]C[3x3]2C[4]2C[6])(C[3x3]C[3x3,4]C[3x3]H[3])(H[3]C[3x3])(H)2{1|C<5>,1|H<2>,2|C<4>,5|H<1>}	110.7700	0.000	1	110.7700	0.000	1	110.7700	0.000	1	110.7700	0.000	1	110.7700	0.000	1	110.7700	0.000	1
238	466	898	0:SPD7_SP1_SP3	C[3x3,4]	C[6]	C[4]	6:4:5:3:4:4:2:	7:4:4:1:	7:2:	C[3x3]-6:C[3x3]-4:C[3,3]-5:C[3,3]-3:C[6]-4:C[4]-4:C[4]-2:	C[3x3,4]-7:C[3,6]-4:C[3,6]-4:H-1:	C[3x3,4]-7:H[4]-2:	C[3x3,4](C[3x3]C[3,3]C[3x3]C[3]HH)(C[3x3]C[3,3]C[3x3]H[3])(C[3,3]C[3x3]H[3]HH)(C[3,3]C[3x3]C[3])(C[6]C[3,6]2H)(C[4]H[4]HH)(C[4]H[4])	C[6](C[3x3,4]C[3,3]2C[3x3]2C[4]2)(C[3,6]C[3]C[6]O[3])(C[3,6]C[3,6]O[3]H)(H)	C[4](C[3x3,4]C[3,3]2C[3x3]2C[4]C[6])(H[4]C[4])	C[3x3,4](C[3x3]C[3,3]C[3x3]C[3]HH)(C[3x3]C[3,3]C[3x3]H[3])(C[3,3]C[3x3]H[3]HH)(C[3,3]C[3x3]C[3])(C[6]C[3,6]2H)(C[4]H[4]HH)(C[4]H[4]){2|O<2>,3|H<1>,4|C<4>}	C[6](C[3x3,4]C[3,3]2C[3x3]2C[4]2)(C[3,6]C[3]C[6]O[3])(C[3,6]C[3,6]O[3]H)(H){1|C<5>,2|H<2>,4|C<4>,8|H<1>}	C[4](C[3x3,4]C[3,3]2C[3x3]2C[4]C[6])(H[4]C[4]){1|C<5>,1|H<2>,2|C<4>,7|H<1>}	110.5570	0.000	1	110.5570	0.000	1	110.5570	0.000	1	110.5570	0.000	1	110.5570	0.000	1	110.5570	0.000	1
238	466	902	0:SPD7_SP2_SP3	C[3x3,4]	C[6]	C[3,3]	6:4:5:3:4:4:2:	7:4:4:1:	7:6:5:	C[3x3]-6:C[3x3]-4:C[3,3]-5:C[3,3]-3:C[6]-4:C[4]-4:C[4]-2:	C[3x3,4]-7:C[3,6]-4:C[3,6]-4:H-1:	C[3x3,4]-7:C[3x3]-6:C[3]-5:	C[3x3,4](C[3x3]C[3,3]C[3x3]C[3]HH)(C[3x3]C[3,3]C[3x3]H[3])(C[3,3]C[3x3]H[3]HH)(C[3,3]C[3x3]C[3])(C[6]C[3,6]2H)(C[4]H[4]HH)(C[4]H[4])	C[6](C[3x3,4]C[3,3]2C[3x3]2C[4]2)(C[3,6]C[3]C[6]O[3])(C[3,6]C[3,6]O[3]H)(H)	C[3,3](C[3x3,4]C[3,3]C[3x3]2C[4]2C[6])(C[3x3]C[3x3,4]C[3x3]C[3]HH)(C[3]C[3x3]CHH)	C[3x3,4](C[3x3]C[3,3]C[3x3]C[3]HH)(C[3x3]C[3,3]C[3x3]H[3])(C[3,3]C[3x3]H[3]HH)(C[3,3]C[3x3]C[3])(C[6]C[3,6]2H)(C[4]H[4]HH)(C[4]H[4]){2|O<2>,3|H<1>,4|C<4>}	C[6](C[3x3,4]C[3,3]2C[3x3]2C[4]2)(C[3,6]C[3]C[6]O[3])(C[3,6]C[3,6]O[3]H)(H){1|C<5>,2|H<2>,4|C<4>,8|H<1>}	C[3,3](C[3x3,4]C[3,3]C[3x3]2C[4]2C[6])(C[3x3]C[3x3,4]C[3x3]C[3]HH)(C[3]C[3x3]CHH){2|C<4>,2|H<2>,5|H<1>}	108.9170	0.000	1	108.9170	0.000	1	108.9170	0.000	1	108.9170	0.000	1	108.9170	0.000	1	108.9170	0.000	1
238	478	486	0:SPD7_SP3_SP3	C[3x3,4]	C[4]	C[3x3]	6:4:5:3:4:4:2:	7:2:1:1:	7:6:5:2:	C[3x3]-6:C[3x3]-4:C[3,3]-5:C[3,3]-3:C[6]-4:C[4]-4:C[4]-2:	C[3x3,4]-7:H[4]-2:H-1:H-1:	C[3x3,4]-7:C[3x3]-6:C[3,3]-5:H[3]-2:	C[3x3,4](C[3x3]C[3,3]C[3x3]C[3]HH)(C[3x3]C[3,3]C[3x3]H[3])(C[3,3]C[3x3]H[3]HH)(C[3,3]C[3x3]C[3])(C[6]C[3,6]2H)(C[4]H[4]HH)(C[4]H[4])	C[4](C[3x3,4]C[3,3]2C[3x3]2C[4]C[6])(H[4]C[4])(H)2	C[3x3](C[3x3,4]C[3,3]2C[3x3]C[4]2C[6])(C[3x3]C[3x3,4]C[3,3]C[3]HH)(C[3,3]C[3x3,4]H[3]HH)(H[3]C[3,3])	C[3x3,4](C[3x3]C[3,3]C[3x3]C[3]HH)(C[3x3]C[3,3]C[3x3]H[3])(C[3,3]C[3x3]H[3]HH)(C[3,3]C[3x3]C[3])(C[6]C[3,6]2H)(C[4]H[4]HH)(C[4]H[4]){2|O<2>,3|H<1>,4|C<4>}	C[4](C[3x3,4]C[3,3]2C[3x3]2C[4]C[6])(H[4]C[4])(H)2{1|C<5>,1|H<2>,2|C<4>,5|H<1>}	C[3x3](C[3x3,4]C[3,3]2C[3x3]C[4]2C[6])(C[3x3]C[3x3,4]C[3,3]C[3]HH)(C[3,3]C[3x3,4]H[3]HH)(H[3]C[3,3]){1|H<2>,3|C<4>,5|H<1>}	132.8920	0.000	1	132.8920	0.000	1	132.8920	0.000	1	132.8920	0.000	1	132.8920	0.000	1	132.8920	0.000	1
238	478	643	0:SPD7_SP2_SP3	C[4x3,4,4]	C[3x4]	C[6a]	7:8:7:7:5:4:3:	7:3:2:1:	7:3:3:	C[3,3,3x4]-7:C[5x3]-8:C[4x3]-7:C[4x3]-7:C[3x3]-5:C[3x4]-4:C[6a]-3:	C[4x3,4,4]-7:H[3,4,4]-3:H[4,4]-2:H-1:	C[4x3,4,4]-7:C[6a]-3:C[6a]-3:	C[4x3,4,4](C[3,3,3x4]H[3,4,4]C[4x3]H[4,4]H[3]HH)(C[5x3]C[3x3]C[4x3]H[3,3]H[3]2HH)(C[4x3]C[3,3,3x4]C[4x3]H[3]2HH)(C[4x3]C[4x3]C[5x3]H[3]2HH)(C[3x3]C[5x3]H[3,3]H[3]H)(C[3x4]H[3,4,4]H[4,4]H)(C[6a]C[6a]2)	C[3x4](C[4x3,4,4]C[3,3,3x4]C[3x3]C[4x3]2C[5x3]C[6a])(H[3,4,4]C[3,3,3x4]H[3])(H[4,4]C[3,3,3x4])(H)	C[6a](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]2C[5x3])(C[6a]C[6a]H)2	C[4x3,4,4](C[3,3,3x4]H[3,4,4]C[4x3]H[4,4]H[3]HH)(C[5x3]C[3x3]C[4x3]H[3,3]H[3]2HH)(C[4x3]C[3,3,3x4]C[4x3]H[3]2HH)(C[4x3]C[4x3]C[5x3]H[3]2HH)(C[3x3]C[5x3]H[3,3]H[3]H)(C[3x4]H[3,4,4]H[4,4]H)(C[6a]C[6a]2){2|C<3>,2|H<1>}	C[3x4](C[4x3,4,4]C[3,3,3x4]C[3x3]C[4x3]2C[5x3]C[6a])(H[3,4,4]C[3,3,3x4]H[3])(H[4,4]C[3,3,3x4])(H){1|H<3>,2|C<3>,4|H<2>,9|H<1>}	C[6a](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]2C[5x3])(C[6a]C[6a]H)2{10|H<1>,1|C<3>,2|C<4>,2|H<3>,6|H<2>}	111.7680	0.000	1	111.7680	0.000	1	111.7680	0.000	1	111.7680	0.000	1	111.7680	0.000	1	111.7680	0.000	1
238	478	778	0:SPD7_SP3_SPD5	C[3x3,4]	C[4]	C[3,3]	6:4:5:3:4:4:2:	7:2:1:1:	7:4:2:1:1:	C[3x3]-6:C[3x3]-4:C[3,3]-5:C[3,3]-3:C[6]-4:C[4]-4:C[4]-2:	C[3x3,4]-7:H[4]-2:H-1:H-1:	C[3x3,4]-7:C[3x3]-4:H[3]-2:H-1:H-1:	C[3x3,4](C[3x3]C[3,3]C[3x3]C[3]HH)(C[3x3]C[3,3]C[3x3]H[3])(C[3,3]C[3x3]H[3]HH)(C[3,3]C[3x3]C[3])(C[6]C[3,6]2H)(C[4]H[4]HH)(C[4]H[4])	C[4](C[3x3,4]C[3,3]2C[3x3]2C[4]C[6])(H[4]C[4])(H)2	C[3,3](C[3x3,4]C[3,3]C[3x3]2C[4]2C[6])(C[3x3]C[3x3,4]C[3x3]H[3])(H[3]C[3x3])(H)2	C[3x3,4](C[3x3]C[3,3]C[3x3]C[3]HH)(C[3x3]C[3,3]C[3x3]H[3])(C[3,3]C[3x3]H[3]HH)(C[3,3]C[3x3]C[3])(C[6]C[3,6]2H)(C[4]H[4]HH)(C[4]H[4]){2|O<2>,3|H<1>,4|C<4>}	C[4](C[3x3,4]C[3,3]2C[3x3]2C[4]C[6])(H[4]C[4])(H)2{1|C<5>,1|H<2>,2|C<4>,5|H<1>}	C[3,3](C[3x3,4]C[3,3]C[3x3]2C[4]2C[6])(C[3x3]C[3x3,4]C[3x3]H[3])(H[3]C[3x3])(H)2{1|C<5>,1|H<2>,2|C<4>,5|H<1>}	108.6010	0.000	1	108.6010	0.000	1	108.6010	0.000	1	108.6010	0.000	1	108.6010	0.000	1	88.6237	315.245	3
238	478	778	0:SPD7_SP3_SPD5	C[4x3,4,4]	C[3x4]	C[3,3]	6:5:6:5:6:4:3:	7:2:2:1:	7:6:2:1:1:	C[3x3]-6:C[3,3,3x4]-5:C[3x3]-6:C[3,3]-5:C[3,3]-6:C[3x4]-4:C-3:	C[4x3,4,4]-7:H[4,4]-2:H[4,4]-2:H-1:	C[4x3,4,4]-7:C[3x3]-6:H[3]-2:H-1:H-1:	C[4x3,4,4](C[3x3]C[3,3,3x4]C[3,3]H[3]HH)(C[3,3,3x4]C[3x3]H[4,4]2H[3])(C[3x3]C[3,3]2H[3]HH)(C[3,3]C[3x3]H[3]HH)(C[3,3]C[3x3]2H3)(C[3x4]H[4,4]2H)(CNO)	C[3x4](C[4x3,4,4]C[3,3,3x4]C[3,3]2C[3x3]2C)(H[4,4]C[3,3,3x4])2(H)	C[3,3](C[4x3,4,4]C[3,3,3x4]C[3,3]C[3x3]2C[3x4]C)(C[3x3]C[4x3,4,4]C[3,3]H[3]HH)(H[3]C[3x3])(H)2	C[4x3,4,4](C[3x3]C[3,3,3x4]C[3,3]H[3]HH)(C[3,3,3x4]C[3x3]H[4,4]2H[3])(C[3x3]C[3,3]2H[3]HH)(C[3,3]C[3x3]H[3]HH)(C[3,3]C[3x3]2H3)(C[3x4]H[4,4]2H)(CNO)	C[3x4](C[4x3,4,4]C[3,3,3x4]C[3,3]2C[3x3]2C)(H[4,4]C[3,3,3x4])2(H){2|H<2>,9|H<1>}	C[3,3](C[4x3,4,4]C[3,3,3x4]C[3,3]C[3x3]2C[3x4]C)(C[3x3]C[4x3,4,4]C[3,3]H[3]HH)(H[3]C[3x3])(H)2{3|H<2>,6|H<1>}	74.6444	0.000	1	74.6444	0.000	1	74.6444	0.000	1	74.6444	0.000	1	74.6444	0.000	1	88.6237	315.245	3
238	478	778	0:SPD7_SP3_SPD5	C[4x3,4,4]	C[3x4]	C[3x3]	7:8:7:7:5:4:3:	7:3:2:1:	7:8:3:2:1:	C[3,3,3x4]-7:C[5x3]-8:C[4x3]-7:C[4x3]-7:C[3x3]-5:C[3x4]-4:C[6a]-3:	C[4x3,4,4]-7:H[3,4,4]-3:H[4,4]-2:H-1:	C[4x3,4,4]-7:C[5x3]-8:H[3,3]-3:H[3]-2:H-1:	C[4x3,4,4](C[3,3,3x4]H[3,4,4]C[4x3]H[4,4]H[3]HH)(C[5x3]C[3x3]C[4x3]H[3,3]H[3]2HH)(C[4x3]C[3,3,3x4]C[4x3]H[3]2HH)(C[4x3]C[4x3]C[5x3]H[3]2HH)(C[3x3]C[5x3]H[3,3]H[3]H)(C[3x4]H[3,4,4]H[4,4]H)(C[6a]C[6a]2)	C[3x4](C[4x3,4,4]C[3,3,3x4]C[3x3]C[4x3]2C[5x3]C[6a])(H[3,4,4]C[3,3,3x4]H[3])(H[4,4]C[3,3,3x4])(H)	C[3x3](C[4x3,4,4]C[3,3,3x4]C[3x4]C[4x3]2C[5x3]C[6a])(C[5x3]C[4x3,4,4]C[4x3]H[3,3]H[3]2HH)(H[3,3]C[5x3]H[3])(H[3]C[5x3])(H)	C[4x3,4,4](C[3,3,3x4]H[3,4,4]C[4x3]H[4,4]H[3]HH)(C[5x3]C[3x3]C[4x3]H[3,3]H[3]2HH)(C[4x3]C[3,3,3x4]C[4x3]H[3]2HH)(C[4x3]C[4x3]C[5x3]H[3]2HH)(C[3x3]C[5x3]H[3,3]H[3]H)(C[3x4]H[3,4,4]H[4,4]H)(C[6a]C[6a]2){2|C<3>,2|H<1>}	C[3x4](C[4x3,4,4]C[3,3,3x4]C[3x3]C[4x3]2C[5x3]C[6a])(H[3,4,4]C[3,3,3x4]H[3])(H[4,4]C[3,3,3x4])(H){1|H<3>,2|C<3>,4|H<2>,9|H<1>}	C[3x3](C[4x3,4,4]C[3,3,3x4]C[3x4]C[4x3]2C[5x3]C[6a])(C[5x3]C[4x3,4,4]C[4x3]H[3,3]H[3]2HH)(H[3,3]C[5x3]H[3])(H[3]C[5x3])(H){1|H<3>,2|C<3>,4|H<2>,7|H<1>}	82.6257	0.000	1	82.6257	0.000	1	82.6257	0.000	1	82.6257	0.000	1	82.6257	0.000	1	88.6237	315.245	3
238	478	778	4:SPD7_SP3_SPD5	C[4x3,4,4]	C[3x4]	C[3,3,3x4]	6:5:6:5:6:4:3:	7:2:2:1:	7:6:2:2:2:	C[3x3]-6:C[3,3,3x4]-5:C[3x3]-6:C[3,3]-5:C[3,3]-6:C[3x4]-4:C-3:	C[4x3,4,4]-7:H[4,4]-2:H[4,4]-2:H-1:	C[4x3,4,4]-7:C[3x3]-6:H[4,4]-2:H[4,4]-2:H[3]-2:	C[4x3,4,4](C[3x3]C[3,3,3x4]C[3,3]H[3]HH)(C[3,3,3x4]C[3x3]H[4,4]2H[3])(C[3x3]C[3,3]2H[3]HH)(C[3,3]C[3x3]H[3]HH)(C[3,3]C[3x3]2H3)(C[3x4]H[4,4]2H)(CNO)	C[3x4](C[4x3,4,4]C[3,3,3x4]C[3,3]2C[3x3]2C)(H[4,4]C[3,3,3x4])2(H)	C[3,3,3x4](C[4x3,4,4]C[3,3]2C[3x3]2C[3x4]C)(C[3x3]C[4x3,4,4]C[3,3]H[3]HH)(H[4,4]C[3x4])2(H[3]C[3x3])	C[4x3,4,4](C[3x3]C[3,3,3x4]C[3,3]H[3]HH)(C[3,3,3x4]C[3x3]H[4,4]2H[3])(C[3x3]C[3,3]2H[3]HH)(C[3,3]C[3x3]H[3]HH)(C[3,3]C[3x3]2H3)(C[3x4]H[4,4]2H)(CNO)	C[3x4](C[4x3,4,4]C[3,3,3x4]C[3,3]2C[3x3]2C)(H[4,4]C[3,3,3x4])2(H){2|H<2>,9|H<1>}	C[3,3,3x4](C[4x3,4,4]C[3,3]2C[3x3]2C[3x4]C)(C[3x3]C[4x3,4,4]C[3,3]H[3]HH)(H[4,4]C[3x4])2(H[3]C[3x3]){1|H<2>,8|H<1>}	37.3369	0.000	1	37.3369	0.000	1	37.3369	0.000	1	37.3369	0.000	1	37.3369	0.000	1	37.3369	0.000	1
238	478	830	0:SPD7_SP-NON_SP3	C[3x3]	C[4]	F	4:3:2:2:2:2:1:	4:7:3:4:	7:	C[4]-4:F[3,3]-3:F[3]-2:F[3]-2:F[3]-2:F[3]-2:F-1:	C[4,5,6]-4:C[3x3]-7:N[4]-3:C-4:	C[3x3]-7:	C[3x3](C[4]C[4,5,6]N[4]C)(F[3,3]F[3]2)(F[3]F[3,3])2(F[3]F[3])2(F)	C[4](C[4,5,6]C[4,5,6]C[5,5,6]H)(C[3x3]F[3,3]F[3]4F)(N[4]C[4,5,6]N)(CF3)	F(C[3x3]F[3,3]C[4]F[3]4)	C[3x3](C[4]C[4,5,6]N[4]C)(F[3,3]F[3]2)(F[3]F[3,3])2(F[3]F[3])2(F){1|H<1>,1|N<2>,2|C<4>}	C[4](C[4,5,6]C[4,5,6]C[5,5,6]H)(C[3x3]F[3,3]F[3]4F)(N[4]C[4,5,6]N)(CF3){2|H<1>,3|C<4>}	F(C[3x3]F[3,3]C[4]F[3]4)	114.2010	0.000	1	114.2010	0.000	1	114.2010	0.000	1	114.2010	0.000	1	114.2010	0.000	1	114.2010	0.000	1
238	478	898	4:SPD7_SP1_SP3	C[3x3,4]	C[4]	C[4]	6:4:5:3:4:4:2:	7:2:1:1:	7:2:	C[3x3]-6:C[3x3]-4:C[3,3]-5:C[3,3]-3:C[6]-4:C[4]-4:C[4]-2:	C[3x3,4]-7:H[4]-2:H-1:H-1:	C[3x3,4]-7:H[4]-2:	C[3x3,4](C[3x3]C[3,3]C[3x3]C[3]HH)(C[3x3]C[3,3]C[3x3]H[3])(C[3,3]C[3x3]H[3]HH)(C[3,3]C[3x3]C[3])(C[6]C[3,6]2H)(C[4]H[4]HH)(C[4]H[4])	C[4](C[3x3,4]C[3,3]2C[3x3]2C[4]C[6])(H[4]C[4])(H)2	C[4](C[3x3,4]C[3,3]2C[3x3]2C[4]C[6])(H[4]C[4])	C[3x3,4](C[3x3]C[3,3]C[3x3]C[3]HH)(C[3x3]C[3,3]C[3x3]H[3])(C[3,3]C[3x3]H[3]HH)(C[3,3]C[3x3]C[3])(C[6]C[3,6]2H)(C[4]H[4]HH)(C[4]H[4]){2|O<2>,3|H<1>,4|C<4>}	C[4](C[3x3,4]C[3,3]2C[3x3]2C[4]C[6])(H[4]C[4])(H)2{1|C<5>,1|H<2>,2|C<4>,5|H<1>}	C[4](C[3x3,4]C[3,3]2C[3x3]2C[4]C[6])(H[4]C[4]){1|C<5>,1|H<2>,2|C<4>,7|H<1>}	33.6865	0.000	1	33.6865	0.000	1	33.6865	0.000	1	33.6865	0.000	1	33.6865	0.000	1	33.6865	0.000	1
238	478	902	0:SPD7_SP2_SP3	C[3x3,4]	C[4]	C[3,3]	6:4:5:3:4:4:2:	7:2:1:1:	7:6:5:	C[3x3]-6:C[3x3]-4:C[3,3]-5:C[3,3]-3:C[6]-4:C[4]-4:C[4]-2:	C[3x3,4]-7:H[4]-2:H-1:H-1:	C[3x3,4]-7:C[3x3]-6:C[3]-5:	C[3x3,4](C[3x3]C[3,3]C[3x3]C[3]HH)(C[3x3]C[3,3]C[3x3]H[3])(C[3,3]C[3x3]H[3]HH)(C[3,3]C[3x3]C[3])(C[6]C[3,6]2H)(C[4]H[4]HH)(C[4]H[4])	C[4](C[3x3,4]C[3,3]2C[3x3]2C[4]C[6])(H[4]C[4])(H)2	C[3,3](C[3x3,4]C[3,3]C[3x3]2C[4]2C[6])(C[3x3]C[3x3,4]C[3x3]C[3]HH)(C[3]C[3x3]CHH)	C[3x3,4](C[3x3]C[3,3]C[3x3]C[3]HH)(C[3x3]C[3,3]C[3x3]H[3])(C[3,3]C[3x3]H[3]HH)(C[3,3]C[3x3]C[3])(C[6]C[3,6]2H)(C[4]H[4]HH)(C[4]H[4]){2|O<2>,3|H<1>,4|C<4>}	C[4](C[3x3,4]C[3,3]2C[3x3]2C[4]C[6])(H[4]C[4])(H)2{1|C<5>,1|H<2>,2|C<4>,5|H<1>}	C[3,3](C[3x3,4]C[3,3]C[3x3]2C[4]2C[6])(C[3x3]C[3x3,4]C[3x3]C[3]HH)(C[3]C[3x3]CHH){2|C<4>,2|H<2>,5|H<1>}	69.8437	0.000	1	69.8437	0.000	1	69.8437	0.000	1	69.8437	0.000	1	69.8437	0.000	1	69.8437	0.000	1
238	478	912	0:SPD7_SP-NON_SP3	C[3x3]	C[4]	F[3,3]	4:3:2:2:2:2:1:	4:7:3:4:	7:2:2:	C[4]-4:F[3,3]-3:F[3]-2:F[3]-2:F[3]-2:F[3]-2:F-1:	C[4,5,6]-4:C[3x3]-7:N[4]-3:C-4:	C[3x3]-7:F[3]-2:F[3]-2:	C[3x3](C[4]C[4,5,6]N[4]C)(F[3,3]F[3]2)(F[3]F[3,3])2(F[3]F[3])2(F)	C[4](C[4,5,6]C[4,5,6]C[5,5,6]H)(C[3x3]F[3,3]F[3]4F)(N[4]C[4,5,6]N)(CF3)	F[3,3](C[3x3]C[4]F[3]4F)(F[3]C[3x3])2	C[3x3](C[4]C[4,5,6]N[4]C)(F[3,3]F[3]2)(F[3]F[3,3])2(F[3]F[3])2(F){1|H<1>,1|N<2>,2|C<4>}	C[4](C[4,5,6]C[4,5,6]C[5,5,6]H)(C[3x3]F[3,3]F[3]4F)(N[4]C[4,5,6]N)(CF3){2|H<1>,3|C<4>}	F[3,3](C[3x3]C[4]F[3]4F)(F[3]C[3x3])2{1|N<3>,2|C<4>}	115.0380	0.000	1	115.0380	0.000	1	115.0380	0.000	1	115.0380	0.000	1	115.0380	0.000	1	115.0380	0.000	1
238	478	930	0:SPD7_SP2_SP3	C[4x3,4,4]	C[3x4]	C	6:5:6:5:6:4:3:	7:2:2:1:	7:3:1:	C[3x3]-6:C[3,3,3x4]-5:C[3x3]-6:C[3,3]-5:C[3,3]-6:C[3x4]-4:C-3:	C[4x3,4,4]-7:H[4,4]-2:H[4,4]-2:H-1:	C[4x3,4,4]-7:N-3:O-1:	C[4x3,4,4](C[3x3]C[3,3,3x4]C[3,3]H[3]HH)(C[3,3,3x4]C[3x3]H[4,4]2H[3])(C[3x3]C[3,3]2H[3]HH)(C[3,3]C[3x3]H[3]HH)(C[3,3]C[3x3]2H3)(C[3x4]H[4,4]2H)(CNO)	C[3x4](C[4x3,4,4]C[3,3,3x4]C[3,3]2C[3x3]2C)(H[4,4]C[3,3,3x4])2(H)	C(C[4x3,4,4]C[3,3,3x4]C[3,3]2C[3x3]2C[3x4])(NC[6a]H)(O)	C[4x3,4,4](C[3x3]C[3,3,3x4]C[3,3]H[3]HH)(C[3,3,3x4]C[3x3]H[4,4]2H[3])(C[3x3]C[3,3]2H[3]HH)(C[3,3]C[3x3]H[3]HH)(C[3,3]C[3x3]2H3)(C[3x4]H[4,4]2H)(CNO)	C[3x4](C[4x3,4,4]C[3,3,3x4]C[3,3]2C[3x3]2C)(H[4,4]C[3,3,3x4])2(H){2|H<2>,9|H<1>}	C(C[4x3,4,4]C[3,3,3x4]C[3,3]2C[3x3]2C[3x4])(NC[6a]H)(O)	117.4660	0.000	1	117.4660	0.000	1	117.4660	0.000	1	117.4660	0.000	1	117.4660	0.000	1	117.4660	0.000	1
238	486	778	3:SPD7_SP3_SPD5	C[3x3,4]	C[3x3]	C[3,3]	6:4:5:3:4:4:2:	7:6:5:2:	7:4:2:1:1:	C[3x3]-6:C[3x3]-4:C[3,3]-5:C[3,3]-3:C[6]-4:C[4]-4:C[4]-2:	C[3x3,4]-7:C[3x3]-6:C[3,3]-5:H[3]-2:	C[3x3,4]-7:C[3x3]-4:H[3]-2:H-1:H-1:	C[3x3,4](C[3x3]C[3,3]C[3x3]C[3]HH)(C[3x3]C[3,3]C[3x3]H[3])(C[3,3]C[3x3]H[3]HH)(C[3,3]C[3x3]C[3])(C[6]C[3,6]2H)(C[4]H[4]HH)(C[4]H[4])	C[3x3](C[3x3,4]C[3,3]2C[3x3]C[4]2C[6])(C[3x3]C[3x3,4]C[3,3]C[3]HH)(C[3,3]C[3x3,4]H[3]HH)(H[3]C[3,3])	C[3,3](C[3x3,4]C[3,3]C[3x3]2C[4]2C[6])(C[3x3]C[3x3,4]C[3x3]H[3])(H[3]C[3x3])(H)2	C[3x3,4](C[3x3]C[3,3]C[3x3]C[3]HH)(C[3x3]C[3,3]C[3x3]H[3])(C[3,3]C[3x3]H[3]HH)(C[3,3]C[3x3]C[3])(C[6]C[3,6]2H)(C[4]H[4]HH)(C[4]H[4]){2|O<2>,3|H<1>,4|C<4>}	C[3x3](C[3x3,4]C[3,3]2C[3x3]C[4]2C[6])(C[3x3]C[3x3,4]C[3,3]C[3]HH)(C[3,3]C[3x3,4]H[3]HH)(H[3]C[3,3]){1|H<2>,3|C<4>,5|H<1>}	C[3,3](C[3x3,4]C[3,3]C[3x3]2C[4]2C[6])(C[3x3]C[3x3,4]C[3x3]H[3])(H[3]C[3x3])(H)2{1|C<5>,1|H<2>,2|C<4>,5|H<1>}	39.6745	0.000	1	39.6745	0.000	1	39.6745	0.000	1	39.6745	0.000	1	39.6745	0.000	1	39.6745	0.000	1
238	486	778	4:SPD7_SP3_SPD5	C[6x3,4,4]	C[3,4x4,5]	C[4x3,4,4,5]	6:5:4:4:3:2:1:	7:4:3:5:	7:6:4:5:3:	C[4x3,4,4,5]-6:C[4x3,4,4,5]-5:C[3,4x4,5]-4:O[4x3,4,4]-4:H[3,3]-3:H[3]-2:H-1:	C[6x3,4,4]-7:O[4x3,4,4]-4:H[3,4,4,5]-3:C[4,4,5]-5:	C[6x3,4,4]-7:C[4x3,4,4,5]-6:O[4x3,4,4]-4:C[4,4,5]-5:H[3,3]-3:	C[6x3,4,4](C[4x3,4,4,5]C[4x3,4,4,5]H[3,4,4,5]O[4x3,4,4]H[3]H)(C[4x3,4,4,5]C[4x3,4,4,5]O[4x3,4,4]C[4,4,5]H[3,3])(C[3,4x4,5]H[3,4,4,5]O[4x3,4,4]C[4,4,5])(O[4x3,4,4]C[4x3,4,4,5]2C[3,4x4,5])(H[3,3]C[4x3,4,4,5]H[3])(H[3]H[3,3])(H)	C[3,4x4,5](C[6x3,4,4]C[4x3,4,4,5]2O[4x3,4,4]H[3,3]H[3]H)(O[4x3,4,4]C[4x3,4,4,5]2C[6x3,4,4])(H[3,4,4,5]C[4x3,4,4,5]H[3])(C[4,4,5]C[4x3,4,4,5]HHO)	C[4x3,4,4,5](C[6x3,4,4]C[4x3,4,4,5]C[3,4x4,5]O[4x3,4,4]H[3,3]H[3]H)(C[4x3,4,4,5]C[6x3,4,4]H[3,4,4,5]O[4x3,4,4]H[3]H)(O[4x3,4,4]C[4x3,4,4,5]C[3,4x4,5]C[6x3,4,4])(C[4,4,5]C[3,4x4,5]HHO)(H[3,3]C[6x3,4,4]H[3])	C[6x3,4,4](C[4x3,4,4,5]C[4x3,4,4,5]H[3,4,4,5]O[4x3,4,4]H[3]H)(C[4x3,4,4,5]C[4x3,4,4,5]O[4x3,4,4]C[4,4,5]H[3,3])(C[3,4x4,5]H[3,4,4,5]O[4x3,4,4]C[4,4,5])(O[4x3,4,4]C[4x3,4,4,5]2C[3,4x4,5])(H[3,3]C[4x3,4,4,5]H[3])(H[3]H[3,3])(H){1|O<2>,2|H<1>}	C[3,4x4,5](C[6x3,4,4]C[4x3,4,4,5]2O[4x3,4,4]H[3,3]H[3]H)(O[4x3,4,4]C[4x3,4,4,5]2C[6x3,4,4])(H[3,4,4,5]C[4x3,4,4,5]H[3])(C[4,4,5]C[4x3,4,4,5]HHO){1|H<1>}	C[4x3,4,4,5](C[6x3,4,4]C[4x3,4,4,5]C[3,4x4,5]O[4x3,4,4]H[3,3]H[3]H)(C[4x3,4,4,5]C[6x3,4,4]H[3,4,4,5]O[4x3,4,4]H[3]H)(O[4x3,4,4]C[4x3,4,4,5]C[3,4x4,5]C[6x3,4,4])(C[4,4,5]C[3,4x4,5]HHO)(H[3,3]C[6x3,4,4]H[3])	32.0786	0.000	1	32.0786	0.000	1	32.0786	0.000	1	32.0786	0.000	1	32.0786	0.000	1	32.0786	0.000	1
238	486	898	0:SPD7_SP1_SP3	C[3x3,4]	C[3x3]	C[4]	6:4:5:3:4:4:2:	7:6:5:2:	7:2:	C[3x3]-6:C[3x3]-4:C[3,3]-5:C[3,3]-3:C[6]-4:C[4]-4:C[4]-2:	C[3x3,4]-7:C[3x3]-6:C[3,3]-5:H[3]-2:	C[3x3,4]-7:H[4]-2:	C[3x3,4](C[3x3]C[3,3]C[3x3]C[3]HH)(C[3x3]C[3,3]C[3x3]H[3])(C[3,3]C[3x3]H[3]HH)(C[3,3]C[3x3]C[3])(C[6]C[3,6]2H)(C[4]H[4]HH)(C[4]H[4])	C[3x3](C[3x3,4]C[3,3]2C[3x3]C[4]2C[6])(C[3x3]C[3x3,4]C[3,3]C[3]HH)(C[3,3]C[3x3,4]H[3]HH)(H[3]C[3,3])	C[4](C[3x3,4]C[3,3]2C[3x3]2C[4]C[6])(H[4]C[4])	C[3x3,4](C[3x3]C[3,3]C[3x3]C[3]HH)(C[3x3]C[3,3]C[3x3]H[3])(C[3,3]C[3x3]H[3]HH)(C[3,3]C[3x3]C[3])(C[6]C[3,6]2H)(C[4]H[4]HH)(C[4]H[4]){2|O<2>,3|H<1>,4|C<4>}	C[3x3](C[3x3,4]C[3,3]2C[3x3]C[4]2C[6])(C[3x3]C[3x3,4]C[3,3]C[3]HH)(C[3,3]C[3x3,4]H[3]HH)(H[3]C[3,3]){1|H<2>,3|C<4>,5|H<1>}	C[4](C[3x3,4]C[3,3]2C[3x3]2C[4]C[6])(H[4]C[4]){1|C<5>,1|H<2>,2|C<4>,7|H<1>}	110.3550	0.000	1	110.3550	0.000	1	110.3550	0.000	1	110.3550	0.000	1	110.3550	0.000	1	110.3550	0.000	1
238	486	902	0:SPD7_SP2_SP3	C[3x3,4]	C[3x3]	C[3,3]	6:4:5:3:4:4:2:	7:6:5:2:	7:6:5:	C[3x3]-6:C[3x3]-4:C[3,3]-5:C[3,3]-3:C[6]-4:C[4]-4:C[4]-2:	C[3x3,4]-7:C[3x3]-6:C[3,3]-5:H[3]-2:	C[3x3,4]-7:C[3x3]-6:C[3]-5:	C[3x3,4](C[3x3]C[3,3]C[3x3]C[3]HH)(C[3x3]C[3,3]C[3x3]H[3])(C[3,3]C[3x3]H[3]HH)(C[3,3]C[3x3]C[3])(C[6]C[3,6]2H)(C[4]H[4]HH)(C[4]H[4])	C[3x3](C[3x3,4]C[3,3]2C[3x3]C[4]2C[6])(C[3x3]C[3x3,4]C[3,3]C[3]HH)(C[3,3]C[3x3,4]H[3]HH)(H[3]C[3,3])	C[3,3](C[3x3,4]C[3,3]C[3x3]2C[4]2C[6])(C[3x3]C[3x3,4]C[3x3]C[3]HH)(C[3]C[3x3]CHH)	C[3x3,4](C[3x3]C[3,3]C[3x3]C[3]HH)(C[3x3]C[3,3]C[3x3]H[3])(C[3,3]C[3x3]H[3]HH)(C[3,3]C[3x3]C[3])(C[6]C[3,6]2H)(C[4]H[4]HH)(C[4]H[4]){2|O<2>,3|H<1>,4|C<4>}	C[3x3](C[3x3,4]C[3,3]2C[3x3]C[4]2C[6])(C[3x3]C[3x3,4]C[3,3]C[3]HH)(C[3,3]C[3x3,4]H[3]HH)(H[3]C[3,3]){1|H<2>,3|C<4>,5|H<1>}	C[3,3](C[3x3,4]C[3,3]C[3x3]2C[4]2C[6])(C[3x3]C[3x3,4]C[3x3]C[3]HH)(C[3]C[3x3]CHH){2|C<4>,2|H<2>,5|H<1>}	109.5680	0.000	1	109.5680	0.000	1	109.5680	0.000	1	109.5680	0.000	1	109.5680	0.000	1	109.5680	0.000	1
238	486	920	3:SPD7_SP3_SP3	C[6x3,4,4]	C[3,4x4,5]	O[4x3,4,4]	6:5:4:4:3:2:1:	7:4:3:5:	6:5:7:4:	C[4x3,4,4,5]-6:C[4x3,4,4,5]-5:C[3,4x4,5]-4:O[4x3,4,4]-4:H[3,3]-3:H[3]-2:H-1:	C[6x3,4,4]-7:O[4x3,4,4]-4:H[3,4,4,5]-3:C[4,4,5]-5:	C[4x3,4,4,5]-6:C[4x3,4,4,5]-5:C[6x3,4,4]-7:C[3,4x4,5]-4:	C[6x3,4,4](C[4x3,4,4,5]C[4x3,4,4,5]H[3,4,4,5]O[4x3,4,4]H[3]H)(C[4x3,4,4,5]C[4x3,4,4,5]O[4x3,4,4]C[4,4,5]H[3,3])(C[3,4x4,5]H[3,4,4,5]O[4x3,4,4]C[4,4,5])(O[4x3,4,4]C[4x3,4,4,5]2C[3,4x4,5])(H[3,3]C[4x3,4,4,5]H[3])(H[3]H[3,3])(H)	C[3,4x4,5](C[6x3,4,4]C[4x3,4,4,5]2O[4x3,4,4]H[3,3]H[3]H)(O[4x3,4,4]C[4x3,4,4,5]2C[6x3,4,4])(H[3,4,4,5]C[4x3,4,4,5]H[3])(C[4,4,5]C[4x3,4,4,5]HHO)	O[4x3,4,4](C[4x3,4,4,5]C[4x3,4,4,5]C[6x3,4,4]H[3,4,4,5]H[3]H)(C[4x3,4,4,5]C[4x3,4,4,5]C[6x3,4,4]C[4,4,5]H[3,3])(C[6x3,4,4]C[4x3,4,4,5]2C[3,4x4,5]H[3,3]H[3]H)(C[3,4x4,5]C[6x3,4,4]H[3,4,4,5]C[4,4,5])	C[6x3,4,4](C[4x3,4,4,5]C[4x3,4,4,5]H[3,4,4,5]O[4x3,4,4]H[3]H)(C[4x3,4,4,5]C[4x3,4,4,5]O[4x3,4,4]C[4,4,5]H[3,3])(C[3,4x4,5]H[3,4,4,5]O[4x3,4,4]C[4,4,5])(O[4x3,4,4]C[4x3,4,4,5]2C[3,4x4,5])(H[3,3]C[4x3,4,4,5]H[3])(H[3]H[3,3])(H){1|O<2>,2|H<1>}	C[3,4x4,5](C[6x3,4,4]C[4x3,4,4,5]2O[4x3,4,4]H[3,3]H[3]H)(O[4x3,4,4]C[4x3,4,4,5]2C[6x3,4,4])(H[3,4,4,5]C[4x3,4,4,5]H[3])(C[4,4,5]C[4x3,4,4,5]HHO){1|H<1>}	O[4x3,4,4](C[4x3,4,4,5]C[4x3,4,4,5]C[6x3,4,4]H[3,4,4,5]H[3]H)(C[4x3,4,4,5]C[4x3,4,4,5]C[6x3,4,4]C[4,4,5]H[3,3])(C[6x3,4,4]C[4x3,4,4,5]2C[3,4x4,5]H[3,3]H[3]H)(C[3,4x4,5]C[6x3,4,4]H[3,4,4,5]C[4,4,5]){1|O<2>,2|H<1>}	59.2348	0.000	1	59.2348	0.000	1	59.2348	0.000	1	59.2348	0.000	1	59.2348	0.000	1	59.2348	0.000	1
238	486	951	0:SPD7_SP-NON_SP3	C[6x3,4,4]	C[3,4x4,5]	H	6:5:4:4:3:2:1:	7:4:3:5:	7:	C[4x3,4,4,5]-6:C[4x3,4,4,5]-5:C[3,4x4,5]-4:O[4x3,4,4]-4:H[3,3]-3:H[3]-2:H-1:	C[6x3,4,4]-7:O[4x3,4,4]-4:H[3,4,4,5]-3:C[4,4,5]-5:	C[6x3,4,4]-7:	C[6x3,4,4](C[4x3,4,4,5]C[4x3,4,4,5]H[3,4,4,5]O[4x3,4,4]H[3]H)(C[4x3,4,4,5]C[4x3,4,4,5]O[4x3,4,4]C[4,4,5]H[3,3])(C[3,4x4,5]H[3,4,4,5]O[4x3,4,4]C[4,4,5])(O[4x3,4,4]C[4x3,4,4,5]2C[3,4x4,5])(H[3,3]C[4x3,4,4,5]H[3])(H[3]H[3,3])(H)	C[3,4x4,5](C[6x3,4,4]C[4x3,4,4,5]2O[4x3,4,4]H[3,3]H[3]H)(O[4x3,4,4]C[4x3,4,4,5]2C[6x3,4,4])(H[3,4,4,5]C[4x3,4,4,5]H[3])(C[4,4,5]C[4x3,4,4,5]HHO)	H(C[6x3,4,4]C[4x3,4,4,5]2C[3,4x4,5]O[4x3,4,4]H[3,3]H[3])	C[6x3,4,4](C[4x3,4,4,5]C[4x3,4,4,5]H[3,4,4,5]O[4x3,4,4]H[3]H)(C[4x3,4,4,5]C[4x3,4,4,5]O[4x3,4,4]C[4,4,5]H[3,3])(C[3,4x4,5]H[3,4,4,5]O[4x3,4,4]C[4,4,5])(O[4x3,4,4]C[4x3,4,4,5]2C[3,4x4,5])(H[3,3]C[4x3,4,4,5]H[3])(H[3]H[3,3])(H){1|O<2>,2|H<1>}	C[3,4x4,5](C[6x3,4,4]C[4x3,4,4,5]2O[4x3,4,4]H[3,3]H[3]H)(O[4x3,4,4]C[4x3,4,4,5]2C[6x3,4,4])(H[3,4,4,5]C[4x3,4,4,5]H[3])(C[4,4,5]C[4x3,4,4,5]HHO){1|H<1>}	H(C[6x3,4,4]C[4x3,4,4,5]2C[3,4x4,5]O[4x3,4,4]H[3,3]H[3])	124.1190	0.000	1	124.1190	0.000	1	124.1190	0.000	1	124.1190	0.000	1	124.1190	0.000	1	124.1190	0.000	1
238	486	968	0:SPD7_SP-NON_SP3	C[6x3,4,4]	C[3,4x4,5]	H[3]	6:5:4:4:3:2:1:	7:4:3:5:	7:3:	C[4x3,4,4,5]-6:C[4x3,4,4,5]-5:C[3,4x4,5]-4:O[4x3,4,4]-4:H[3,3]-3:H[3]-2:H-1:	C[6x3,4,4]-7:O[4x3,4,4]-4:H[3,4,4,5]-3:C[4,4,5]-5:	C[6x3,4,4]-7:H[3,3]-3:	C[6x3,4,4](C[4x3,4,4,5]C[4x3,4,4,5]H[3,4,4,5]O[4x3,4,4]H[3]H)(C[4x3,4,4,5]C[4x3,4,4,5]O[4x3,4,4]C[4,4,5]H[3,3])(C[3,4x4,5]H[3,4,4,5]O[4x3,4,4]C[4,4,5])(O[4x3,4,4]C[4x3,4,4,5]2C[3,4x4,5])(H[3,3]C[4x3,4,4,5]H[3])(H[3]H[3,3])(H)	C[3,4x4,5](C[6x3,4,4]C[4x3,4,4,5]2O[4x3,4,4]H[3,3]H[3]H)(O[4x3,4,4]C[4x3,4,4,5]2C[6x3,4,4])(H[3,4,4,5]C[4x3,4,4,5]H[3])(C[4,4,5]C[4x3,4,4,5]HHO)	H[3](C[6x3,4,4]C[4x3,4,4,5]2C[3,4x4,5]O[4x3,4,4]H[3,3]H)(H[3,3]C[4x3,4,4,5]C[6x3,4,4])	C[6x3,4,4](C[4x3,4,4,5]C[4x3,4,4,5]H[3,4,4,5]O[4x3,4,4]H[3]H)(C[4x3,4,4,5]C[4x3,4,4,5]O[4x3,4,4]C[4,4,5]H[3,3])(C[3,4x4,5]H[3,4,4,5]O[4x3,4,4]C[4,4,5])(O[4x3,4,4]C[4x3,4,4,5]2C[3,4x4,5])(H[3,3]C[4x3,4,4,5]H[3])(H[3]H[3,3])(H){1|O<2>,2|H<1>}	C[3,4x4,5](C[6x3,4,4]C[4x3,4,4,5]2O[4x3,4,4]H[3,3]H[3]H)(O[4x3,4,4]C[4x3,4,4,5]2C[6x3,4,4])(H[3,4,4,5]C[4x3,4,4,5]H[3])(C[4,4,5]C[4x3,4,4,5]HHO){1|H<1>}	H[3](C[6x3,4,4]C[4x3,4,4,5]2C[3,4x4,5]O[4x3,4,4]H[3,3]H)(H[3,3]C[4x3,4,4,5]C[6x3,4,4])	120.4180	0.000	1	120.4180	0.000	1	120.4180	0.000	1	120.4180	0.000	1	120.4180	0.000	1	120.4180	0.000	1
238	643	778	0:SPD7_SP2_SPD5	C[4x3,4,4]	C[6a]	C[3x3]	7:8:7:7:5:4:3:	7:3:3:	7:8:3:2:1:	C[3,3,3x4]-7:C[5x3]-8:C[4x3]-7:C[4x3]-7:C[3x3]-5:C[3x4]-4:C[6a]-3:	C[4x3,4,4]-7:C[6a]-3:C[6a]-3:	C[4x3,4,4]-7:C[5x3]-8:H[3,3]-3:H[3]-2:H-1:	C[4x3,4,4](C[3,3,3x4]H[3,4,4]C[4x3]H[4,4]H[3]HH)(C[5x3]C[3x3]C[4x3]H[3,3]H[3]2HH)(C[4x3]C[3,3,3x4]C[4x3]H[3]2HH)(C[4x3]C[4x3]C[5x3]H[3]2HH)(C[3x3]C[5x3]H[3,3]H[3]H)(C[3x4]H[3,4,4]H[4,4]H)(C[6a]C[6a]2)	C[6a](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]2C[5x3])(C[6a]C[6a]H)2	C[3x3](C[4x3,4,4]C[3,3,3x4]C[3x4]C[4x3]2C[5x3]C[6a])(C[5x3]C[4x3,4,4]C[4x3]H[3,3]H[3]2HH)(H[3,3]C[5x3]H[3])(H[3]C[5x3])(H)	C[4x3,4,4](C[3,3,3x4]H[3,4,4]C[4x3]H[4,4]H[3]HH)(C[5x3]C[3x3]C[4x3]H[3,3]H[3]2HH)(C[4x3]C[3,3,3x4]C[4x3]H[3]2HH)(C[4x3]C[4x3]C[5x3]H[3]2HH)(C[3x3]C[5x3]H[3,3]H[3]H)(C[3x4]H[3,4,4]H[4,4]H)(C[6a]C[6a]2){2|C<3>,2|H<1>}	C[6a](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]2C[5x3])(C[6a]C[6a]H)2{10|H<1>,1|C<3>,2|C<4>,2|H<3>,6|H<2>}	C[3x3](C[4x3,4,4]C[3,3,3x4]C[3x4]C[4x3]2C[5x3]C[6a])(C[5x3]C[4x3,4,4]C[4x3]H[3,3]H[3]2HH)(H[3,3]C[5x3]H[3])(H[3]C[5x3])(H){1|H<3>,2|C<3>,4|H<2>,7|H<1>}	108.4310	0.000	1	108.4310	0.000	1	108.4310	0.000	1	108.4310	0.000	1	108.4310	0.000	1	108.4310	0.000	1
238	643	794	0:SPD7_SP2_SPD5	C[3x3,3x4]	C[6a]	C[6x4]	6:7:7:5:6:6:3:	7:3:3:	7:3:2:2:1:	C[3,6x4]-6:C[4x3]-7:C[4x3]-7:C[6x4]-5:C[3x3]-6:C[3x3]-6:C[6a]-3:	C[3x3,3x4]-7:C[6a]-3:C[6a]-3:	C[3x3,3x4]-7:H[3,3x4]-3:H[3x4]-2:H[3x4]-2:H-1:	C[3x3,3x4](C[3,6x4]H[3,3x4]H[3x4]2H[3]H)(C[4x3]C[3x3]C[4x3]H[3]2HH)2(C[6x4]H[3,3x4]H[3x4]2H)(C[3x3]C[4x3]H[3]2HH)2(C[6a]C[6a]2)	C[6a](C[3x3,3x4]C[3,6x4]C[3x3]2C[4x3]2C[6x4])(C[6a]C[6a]H)2	C[6x4](C[3x3,3x4]C[3,6x4]C[3x3]2C[4x3]2C[6a])(H[3,3x4]C[3,6x4]H[3])(H[3x4]C[3,6x4])2(H)	C[3x3,3x4](C[3,6x4]H[3,3x4]H[3x4]2H[3]H)(C[4x3]C[3x3]C[4x3]H[3]2HH)2(C[6x4]H[3,3x4]H[3x4]2H)(C[3x3]C[4x3]H[3]2HH)2(C[6a]C[6a]2){2|C<3>,2|H<1>}	C[6a](C[3x3,3x4]C[3,6x4]C[3x3]2C[4x3]2C[6x4])(C[6a]C[6a]H)2{10|H<1>,1|C<3>,1|H<3>,2|C<4>,7|H<2>}	C[6x4](C[3x3,3x4]C[3,6x4]C[3x3]2C[4x3]2C[6a])(H[3,3x4]C[3,6x4]H[3])(H[3x4]C[3,6x4])2(H){2|C<3>,4|H<2>,9|H<1>}	111.1130	0.000	1	111.1130	0.000	1	111.1130	0.000	1	111.1130	0.000	1	111.1130	0.000	1	111.1130	0.000	1
238	643	912	0:SPD7_SP-NON_SP2	C[4x3]	C[6a]	F[3,3]	3:3:3:2:2:2:2:	7:3:3:	7:3:2:	F[3,3]-3:F[3,3]-3:C[6a]-3:F[3]-2:F[3]-2:F[3]-2:F[3]-2:	C[4x3]-7:C[6a]-3:C[6a]-3:	C[4x3]-7:F[3,3]-3:F[3]-2:	C[4x3](F[3,3]F[3,3]F[3])2(C[6a]C[6a]2)(F[3]F[3,3])2(F[3]F[3])2	C[6a](C[4x3]F[3,3]2F[3]4)(C[6a]C[6a]H)2	F[3,3](C[4x3]F[3,3]C[6a]F[3]4)(F[3,3]C[4x3]F[3])(F[3]C[4x3])	C[4x3](F[3,3]F[3,3]F[3])2(C[6a]C[6a]2)(F[3]F[3,3])2(F[3]F[3])2{2|C<3>,2|H<1>}	C[6a](C[4x3]F[3,3]2F[3]4)(C[6a]C[6a]H)2{1|B<4>,1|C<3>,1|C<4>}	F[3,3](C[4x3]F[3,3]C[6a]F[3]4)(F[3,3]C[4x3]F[3])(F[3]C[4x3]){2|C<3>}	113.5475	0.459	2	113.5475	0.211	2	113.5475	0.211	2	113.5475	0.211	2	113.5475	0.211	2	113.5475	0.211	2
238	643	951	0:SPD7_SP-NON_SP2	C[3]	C[6a]	H	3:2:2:1:1:1:1:	7:3:2:	7:	C[6a]-3:H[3]-2:H[3]-2:H-1:H-1:H-1:H-1:	C[3]-7:C[6a]-3:N[6a]-2:	C[3]-7:	C[3](C[6a]C[6a]N[6a])(H[3]H[3])2(H)4	C[6a](C[3]H[3]2H4)(C[6a]C[6a]H)(N[6a]C[6a])	H(C[3]C[6a]H[3]2H3)	C[3](C[6a]C[6a]N[6a])(H[3]H[3])2(H)4{1|H<1>,2|C<3>}	C[6a](C[3]H[3]2H4)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<2>}	H(C[3]C[6a]H[3]2H3)	111.3955	2.130	4	111.3955	4.537	4	111.3955	4.537	4	111.3955	4.537	4	111.3955	4.537	4	110.1478	6.469	6
238	643	951	0:SPD7_SP-NON_SP2	C[3x3]	C[6a]	H	7:7:3:2:2:1:1:	7:3:3:	7:	C[4x3]-7:C[4x3]-7:C[6a]-3:H[3]-2:H[3]-2:H-1:H-1:	C[3x3]-7:C[6a]-3:C[6a]-3:	C[3x3]-7:	C[3x3](C[4x3]C[4x3]H[3]3HH)2(C[6a]C[6a]2)(H[3]C[4x3])2(H)2	C[6a](C[3x3]C[4x3]2H[3]2HH)(C[6a]C[6,6a]H)(C[6a]C[6a]C)	H(C[3x3]C[4x3]2C[6a]H[3]2H)	C[3x3](C[4x3]C[4x3]H[3]3HH)2(C[6a]C[6a]2)(H[3]C[4x3])2(H)2{1|H<1>,3|C<3>}	C[6a](C[3x3]C[4x3]2H[3]2HH)(C[6a]C[6,6a]H)(C[6a]C[6a]C){1|O<2>,2|C<3>,2|H<2>,4|H<1>}	H(C[3x3]C[4x3]2C[6a]H[3]2H)	107.6525	0.233	2	107.6525	0.054	2	107.6525	0.054	2	107.6525	0.054	2	107.6525	0.054	2	110.1478	6.469	6
238	643	968	0:SPD7_SP-NON_SP2	C[3]	C[6a]	H[3]	3:2:2:1:1:1:1:	7:3:2:	7:2:	C[6a]-3:H[3]-2:H[3]-2:H-1:H-1:H-1:H-1:	C[3]-7:C[6a]-3:N[6a]-2:	C[3]-7:H[3]-2:	C[3](C[6a]C[6a]N[6a])(H[3]H[3])2(H)4	C[6a](C[3]H[3]2H4)(C[6a]C[6a]H)(N[6a]C[6a])	H[3](C[3]C[6a]H[3]H4)(H[3]C[3])	C[3](C[6a]C[6a]N[6a])(H[3]H[3])2(H)4{1|H<1>,2|C<3>}	C[6a](C[3]H[3]2H4)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<2>}	H[3](C[3]C[6a]H[3]H4)(H[3]C[3])	109.6645	2.609	2	109.6645	6.804	2	109.6645	6.804	2	109.6645	6.804	2	109.6645	6.804	2	109.2672	3.319	4
238	643	968	0:SPD7_SP-NON_SP2	C[3x3]	C[6a]	H[3]	7:7:3:2:2:1:1:	7:3:3:	7:7:	C[4x3]-7:C[4x3]-7:C[6a]-3:H[3]-2:H[3]-2:H-1:H-1:	C[3x3]-7:C[6a]-3:C[6a]-3:	C[4x3]-7:C[3x3]-7:	C[3x3](C[4x3]C[4x3]H[3]3HH)2(C[6a]C[6a]2)(H[3]C[4x3])2(H)2	C[6a](C[3x3]C[4x3]2H[3]2HH)(C[6a]C[6,6a]H)(C[6a]C[6a]C)	H[3](C[4x3]C[3x3]C[4x3]H[3]2HH)(C[3x3]C[4x3]2C[6a]H[3]HH)	C[3x3](C[4x3]C[4x3]H[3]3HH)2(C[6a]C[6a]2)(H[3]C[4x3])2(H)2{1|H<1>,3|C<3>}	C[6a](C[3x3]C[4x3]2H[3]2HH)(C[6a]C[6,6a]H)(C[6a]C[6a]C){1|O<2>,2|C<3>,2|H<2>,4|H<1>}	H[3](C[4x3]C[3x3]C[4x3]H[3]2HH)(C[3x3]C[4x3]2C[6a]H[3]HH)	108.8700	1.588	2	108.8700	2.522	2	108.8700	2.522	2	108.8700	2.522	2	108.8700	2.522	2	109.2672	3.319	4
238	778	778	0:SPD7_SPD5_SPD5	C[4x3,4,4]	C[3,3,3x4]	C[3,3]	6:5:6:5:6:4:3:	7:6:2:2:2:	7:6:2:1:1:	C[3x3]-6:C[3,3,3x4]-5:C[3x3]-6:C[3,3]-5:C[3,3]-6:C[3x4]-4:C-3:	C[4x3,4,4]-7:C[3x3]-6:H[4,4]-2:H[4,4]-2:H[3]-2:	C[4x3,4,4]-7:C[3x3]-6:H[3]-2:H-1:H-1:	C[4x3,4,4](C[3x3]C[3,3,3x4]C[3,3]H[3]HH)(C[3,3,3x4]C[3x3]H[4,4]2H[3])(C[3x3]C[3,3]2H[3]HH)(C[3,3]C[3x3]H[3]HH)(C[3,3]C[3x3]2H3)(C[3x4]H[4,4]2H)(CNO)	C[3,3,3x4](C[4x3,4,4]C[3,3]2C[3x3]2C[3x4]C)(C[3x3]C[4x3,4,4]C[3,3]H[3]HH)(H[4,4]C[3x4])2(H[3]C[3x3])	C[3,3](C[4x3,4,4]C[3,3,3x4]C[3,3]C[3x3]2C[3x4]C)(C[3x3]C[4x3,4,4]C[3,3]H[3]HH)(H[3]C[3x3])(H)2	C[4x3,4,4](C[3x3]C[3,3,3x4]C[3,3]H[3]HH)(C[3,3,3x4]C[3x3]H[4,4]2H[3])(C[3x3]C[3,3]2H[3]HH)(C[3,3]C[3x3]H[3]HH)(C[3,3]C[3x3]2H3)(C[3x4]H[4,4]2H)(CNO)	C[3,3,3x4](C[4x3,4,4]C[3,3]2C[3x3]2C[3x4]C)(C[3x3]C[4x3,4,4]C[3,3]H[3]HH)(H[4,4]C[3x4])2(H[3]C[3x3]){1|H<2>,8|H<1>}	C[3,3](C[4x3,4,4]C[3,3,3x4]C[3,3]C[3x3]2C[3x4]C)(C[3x3]C[4x3,4,4]C[3,3]H[3]HH)(H[3]C[3x3])(H)2{3|H<2>,6|H<1>}	109.8020	0.000	1	109.8020	0.000	1	109.8020	0.000	1	109.8020	0.000	1	109.8020	0.000	1	109.8020	0.000	1
238	778	778	3:SPD7_SPD5_SPD5	C[3x3,3x4]	C[4x3]	C[3,3,4,4]	5:5:5:2:2:2:1:	7:5:2:2:2:	7:5:3:2:1:	C[3,3,4,4]-5:C[4x3]-5:C[4,4]-5:H[4,4]-2:H[3]-2:H[3]-2:H-1:	C[3x3,3x4]-7:C[3,3,4,4]-5:H[3]-2:H[3]-2:H[3]-2:	C[3x3,3x4]-7:C[4x3]-5:C[3x4]-3:H[3]-2:H-1:	C[3x3,3x4](C[3,3,4,4]C[3x4]C[4x3]H[3]H)(C[4x3]C[3,3,4,4]H[3]3)(C[4,4]C[3x4]HHO)(H[4,4]C[3x4])(H[3]C[4x3])2(H)	C[4x3](C[3x3,3x4]C[3,3,4,4]C[4,4]H[4,4]H[3]2H)(C[3,3,4,4]C[3x3,3x4]C[3x4]H[3]H)(H[3]C[3,3,4,4])(H[3]C[3x3,3x4])2	C[3,3,4,4](C[3x3,3x4]C[4,4]C[4x3]H[4,4]H[3]2H)(C[4x3]C[3x3,3x4]H[3]3)(C[3x4]C[4,4]H[4,4])(H[3]C[4x3])(H)	C[3x3,3x4](C[3,3,4,4]C[3x4]C[4x3]H[3]H)(C[4x3]C[3,3,4,4]H[3]3)(C[4,4]C[3x4]HHO)(H[4,4]C[3x4])(H[3]C[4x3])2(H)	C[4x3](C[3x3,3x4]C[3,3,4,4]C[4,4]H[4,4]H[3]2H)(C[3,3,4,4]C[3x3,3x4]C[3x4]H[3]H)(H[3]C[3,3,4,4])(H[3]C[3x3,3x4])2{1|O<2>,2|H<1>}	C[3,3,4,4](C[3x3,3x4]C[4,4]C[4x3]H[4,4]H[3]2H)(C[4x3]C[3x3,3x4]H[3]3)(C[3x4]C[4,4]H[4,4])(H[3]C[4x3])(H){1|O<2>,2|H<1>}	63.8420	0.000	1	63.8420	0.000	1	63.8420	0.000	1	63.8420	0.000	1	63.8420	0.000	1	63.8420	0.000	1
238	778	782	3:SPD7_SPD5_SPD5	C[4x3]	C[3,3]	N[3x3]	6:5:5:3:2:1:1:	7:5:3:1:1:	7:6:6:5:2:	C[3x3]-6:C[3,3]-5:N[3x3]-5:H[3,3]-3:H[3]-2:H-1:H-1:	C[4x3]-7:N[3x3]-5:H[3,3]-3:H-1:H-1:	C[4x3]-7:C[3x3]-6:C[3x3]-6:C[3,3]-5:C-2:	C[4x3](C[3x3]C[3x3]H[3,3]N[3x3]HH)(C[3,3]H[3,3]N[3x3]HH)(N[3x3]C[3,3]C[3x3]2C)(H[3,3]C[3,3]H[3])(H[3]H[3,3])(H)2	C[3,3](C[4x3]C[3x3]H[3,3]N[3x3]H[3]HH)(N[3x3]C[3x3]2C[4x3]C)(H[3,3]C[4x3]H[3])(H)2	N[3x3](C[4x3]C[3,3]C[3x3]H[3,3]H[3]HH)(C[3x3]C[3x3]C[4x3]H[3,3]HH)(C[3x3]C[3x3]H[3,3]H[3]HH)(C[3,3]C[4x3]H[3,3]HH)(CN)	C[4x3](C[3x3]C[3x3]H[3,3]N[3x3]HH)(C[3,3]H[3,3]N[3x3]HH)(N[3x3]C[3,3]C[3x3]2C)(H[3,3]C[3,3]H[3])(H[3]H[3,3])(H)2{1|H<2>,2|H<1>}	C[3,3](C[4x3]C[3x3]H[3,3]N[3x3]H[3]HH)(N[3x3]C[3x3]2C[4x3]C)(H[3,3]C[4x3]H[3])(H)2{1|H<2>,1|H<3>,4|H<1>}	N[3x3](C[4x3]C[3,3]C[3x3]H[3,3]H[3]HH)(C[3x3]C[3x3]C[4x3]H[3,3]HH)(C[3x3]C[3x3]H[3,3]H[3]HH)(C[3,3]C[4x3]H[3,3]HH)(CN)	69.7013	0.000	1	69.7013	0.000	1	69.7013	0.000	1	69.7013	0.000	1	69.7013	0.000	1	69.7013	0.000	1
238	778	794	0:SPD7_SPD5_SPD5	C[3x3,3x4]	C[4x3]	C[4,4]	5:5:5:2:2:2:1:	7:5:2:2:2:	7:3:2:1:1:	C[3,3,4,4]-5:C[4x3]-5:C[4,4]-5:H[4,4]-2:H[3]-2:H[3]-2:H-1:	C[3x3,3x4]-7:C[3,3,4,4]-5:H[3]-2:H[3]-2:H[3]-2:	C[3x3,3x4]-7:C[3x4]-3:O-2:H-1:H-1:	C[3x3,3x4](C[3,3,4,4]C[3x4]C[4x3]H[3]H)(C[4x3]C[3,3,4,4]H[3]3)(C[4,4]C[3x4]HHO)(H[4,4]C[3x4])(H[3]C[4x3])2(H)	C[4x3](C[3x3,3x4]C[3,3,4,4]C[4,4]H[4,4]H[3]2H)(C[3,3,4,4]C[3x3,3x4]C[3x4]H[3]H)(H[3]C[3,3,4,4])(H[3]C[3x3,3x4])2	C[4,4](C[3x3,3x4]C[3,3,4,4]C[4x3]H[4,4]H[3]2H)(C[3x4]C[3,3,4,4]H[4,4])(OC[6a])(H)2	C[3x3,3x4](C[3,3,4,4]C[3x4]C[4x3]H[3]H)(C[4x3]C[3,3,4,4]H[3]3)(C[4,4]C[3x4]HHO)(H[4,4]C[3x4])(H[3]C[4x3])2(H)	C[4x3](C[3x3,3x4]C[3,3,4,4]C[4,4]H[4,4]H[3]2H)(C[3,3,4,4]C[3x3,3x4]C[3x4]H[3]H)(H[3]C[3,3,4,4])(H[3]C[3x3,3x4])2{1|O<2>,2|H<1>}	C[4,4](C[3x3,3x4]C[3,3,4,4]C[4x3]H[4,4]H[3]2H)(C[3x4]C[3,3,4,4]H[4,4])(OC[6a])(H)2{1|H<1>,1|H<2>}	97.3403	0.000	1	97.3403	0.000	1	97.3403	0.000	1	97.3403	0.000	1	97.3403	0.000	1	97.3403	0.000	1
238	778	794	4:SPD7_SPD5_SPD5	C[3x3,3x4]	C[3,3,4,4]	C[4,4]	5:5:5:2:2:2:1:	7:5:3:2:1:	7:3:2:1:1:	C[3,3,4,4]-5:C[4x3]-5:C[4,4]-5:H[4,4]-2:H[3]-2:H[3]-2:H-1:	C[3x3,3x4]-7:C[4x3]-5:C[3x4]-3:H[3]-2:H-1:	C[3x3,3x4]-7:C[3x4]-3:O-2:H-1:H-1:	C[3x3,3x4](C[3,3,4,4]C[3x4]C[4x3]H[3]H)(C[4x3]C[3,3,4,4]H[3]3)(C[4,4]C[3x4]HHO)(H[4,4]C[3x4])(H[3]C[4x3])2(H)	C[3,3,4,4](C[3x3,3x4]C[4,4]C[4x3]H[4,4]H[3]2H)(C[4x3]C[3x3,3x4]H[3]3)(C[3x4]C[4,4]H[4,4])(H[3]C[4x3])(H)	C[4,4](C[3x3,3x4]C[3,3,4,4]C[4x3]H[4,4]H[3]2H)(C[3x4]C[3,3,4,4]H[4,4])(OC[6a])(H)2	C[3x3,3x4](C[3,3,4,4]C[3x4]C[4x3]H[3]H)(C[4x3]C[3,3,4,4]H[3]3)(C[4,4]C[3x4]HHO)(H[4,4]C[3x4])(H[3]C[4x3])2(H)	C[3,3,4,4](C[3x3,3x4]C[4,4]C[4x3]H[4,4]H[3]2H)(C[4x3]C[3x3,3x4]H[3]3)(C[3x4]C[4,4]H[4,4])(H[3]C[4x3])(H){1|O<2>,2|H<1>}	C[4,4](C[3x3,3x4]C[3,3,4,4]C[4x3]H[4,4]H[3]2H)(C[3x4]C[3,3,4,4]H[4,4])(OC[6a])(H)2{1|H<1>,1|H<2>}	116.9140	0.000	1	116.9140	0.000	1	116.9140	0.000	1	116.9140	0.000	1	116.9140	0.000	1	116.9140	0.000	1
238	778	802	0:SPD7_SP-NON_SPD5	C[3x3,3x4]	C[3,3,4,4]	H[4,4]	5:5:5:2:2:2:1:	7:5:3:2:1:	7:3:	C[3,3,4,4]-5:C[4x3]-5:C[4,4]-5:H[4,4]-2:H[3]-2:H[3]-2:H-1:	C[3x3,3x4]-7:C[4x3]-5:C[3x4]-3:H[3]-2:H-1:	C[3x3,3x4]-7:C[3x4]-3:	C[3x3,3x4](C[3,3,4,4]C[3x4]C[4x3]H[3]H)(C[4x3]C[3,3,4,4]H[3]3)(C[4,4]C[3x4]HHO)(H[4,4]C[3x4])(H[3]C[4x3])2(H)	C[3,3,4,4](C[3x3,3x4]C[4,4]C[4x3]H[4,4]H[3]2H)(C[4x3]C[3x3,3x4]H[3]3)(C[3x4]C[4,4]H[4,4])(H[3]C[4x3])(H)	H[4,4](C[3x3,3x4]C[3,3,4,4]C[4,4]C[4x3]H[3]2H)(C[3x4]C[3,3,4,4]C[4,4])	C[3x3,3x4](C[3,3,4,4]C[3x4]C[4x3]H[3]H)(C[4x3]C[3,3,4,4]H[3]3)(C[4,4]C[3x4]HHO)(H[4,4]C[3x4])(H[3]C[4x3])2(H)	C[3,3,4,4](C[3x3,3x4]C[4,4]C[4x3]H[4,4]H[3]2H)(C[4x3]C[3x3,3x4]H[3]3)(C[3x4]C[4,4]H[4,4])(H[3]C[4x3])(H){1|O<2>,2|H<1>}	H[4,4](C[3x3,3x4]C[3,3,4,4]C[4,4]C[4x3]H[3]2H)(C[3x4]C[3,3,4,4]C[4,4])	94.6743	0.000	1	94.6743	0.000	1	94.6743	0.000	1	94.6743	0.000	1	94.6743	0.000	1	87.8301	93.686	2
238	778	802	0:SPD7_SP-NON_SPD5	C[3x3,3x4]	C[4x3]	H[4,4]	5:5:5:2:2:2:1:	7:5:2:2:2:	7:3:	C[3,3,4,4]-5:C[4x3]-5:C[4,4]-5:H[4,4]-2:H[3]-2:H[3]-2:H-1:	C[3x3,3x4]-7:C[3,3,4,4]-5:H[3]-2:H[3]-2:H[3]-2:	C[3x3,3x4]-7:C[3x4]-3:	C[3x3,3x4](C[3,3,4,4]C[3x4]C[4x3]H[3]H)(C[4x3]C[3,3,4,4]H[3]3)(C[4,4]C[3x4]HHO)(H[4,4]C[3x4])(H[3]C[4x3])2(H)	C[4x3](C[3x3,3x4]C[3,3,4,4]C[4,4]H[4,4]H[3]2H)(C[3,3,4,4]C[3x3,3x4]C[3x4]H[3]H)(H[3]C[3,3,4,4])(H[3]C[3x3,3x4])2	H[4,4](C[3x3,3x4]C[3,3,4,4]C[4,4]C[4x3]H[3]2H)(C[3x4]C[3,3,4,4]C[4,4])	C[3x3,3x4](C[3,3,4,4]C[3x4]C[4x3]H[3]H)(C[4x3]C[3,3,4,4]H[3]3)(C[4,4]C[3x4]HHO)(H[4,4]C[3x4])(H[3]C[4x3])2(H)	C[4x3](C[3x3,3x4]C[3,3,4,4]C[4,4]H[4,4]H[3]2H)(C[3,3,4,4]C[3x3,3x4]C[3x4]H[3]H)(H[3]C[3,3,4,4])(H[3]C[3x3,3x4])2{1|O<2>,2|H<1>}	H[4,4](C[3x3,3x4]C[3,3,4,4]C[4,4]C[4x3]H[3]2H)(C[3x4]C[3,3,4,4]C[4,4])	80.9859	0.000	1	80.9859	0.000	1	80.9859	0.000	1	80.9859	0.000	1	80.9859	0.000	1	87.8301	93.686	2
238	778	898	0:SPD7_SP1_SPD5	C[3x3,4]	C[3,3]	C[4]	6:4:5:3:4:4:2:	7:4:2:1:1:	7:2:	C[3x3]-6:C[3x3]-4:C[3,3]-5:C[3,3]-3:C[6]-4:C[4]-4:C[4]-2:	C[3x3,4]-7:C[3x3]-4:H[3]-2:H-1:H-1:	C[3x3,4]-7:H[4]-2:	C[3x3,4](C[3x3]C[3,3]C[3x3]C[3]HH)(C[3x3]C[3,3]C[3x3]H[3])(C[3,3]C[3x3]H[3]HH)(C[3,3]C[3x3]C[3])(C[6]C[3,6]2H)(C[4]H[4]HH)(C[4]H[4])	C[3,3](C[3x3,4]C[3,3]C[3x3]2C[4]2C[6])(C[3x3]C[3x3,4]C[3x3]H[3])(H[3]C[3x3])(H)2	C[4](C[3x3,4]C[3,3]2C[3x3]2C[4]C[6])(H[4]C[4])	C[3x3,4](C[3x3]C[3,3]C[3x3]C[3]HH)(C[3x3]C[3,3]C[3x3]H[3])(C[3,3]C[3x3]H[3]HH)(C[3,3]C[3x3]C[3])(C[6]C[3,6]2H)(C[4]H[4]HH)(C[4]H[4]){2|O<2>,3|H<1>,4|C<4>}	C[3,3](C[3x3,4]C[3,3]C[3x3]2C[4]2C[6])(C[3x3]C[3x3,4]C[3x3]H[3])(H[3]C[3x3])(H)2{1|C<5>,1|H<2>,2|C<4>,5|H<1>}	C[4](C[3x3,4]C[3,3]2C[3x3]2C[4]C[6])(H[4]C[4]){1|C<5>,1|H<2>,2|C<4>,7|H<1>}	76.8262	0.000	1	76.8262	0.000	1	76.8262	0.000	1	76.8262	0.000	1	76.8262	0.000	1	76.8262	0.000	1
238	778	902	0:SPD7_SP2_SPD5	C[3x3,4]	C[3,3]	C[3,3]	6:4:5:3:4:4:2:	7:4:2:1:1:	7:6:5:	C[3x3]-6:C[3x3]-4:C[3,3]-5:C[3,3]-3:C[6]-4:C[4]-4:C[4]-2:	C[3x3,4]-7:C[3x3]-4:H[3]-2:H-1:H-1:	C[3x3,4]-7:C[3x3]-6:C[3]-5:	C[3x3,4](C[3x3]C[3,3]C[3x3]C[3]HH)(C[3x3]C[3,3]C[3x3]H[3])(C[3,3]C[3x3]H[3]HH)(C[3,3]C[3x3]C[3])(C[6]C[3,6]2H)(C[4]H[4]HH)(C[4]H[4])	C[3,3](C[3x3,4]C[3,3]C[3x3]2C[4]2C[6])(C[3x3]C[3x3,4]C[3x3]H[3])(H[3]C[3x3])(H)2	C[3,3](C[3x3,4]C[3,3]C[3x3]2C[4]2C[6])(C[3x3]C[3x3,4]C[3x3]C[3]HH)(C[3]C[3x3]CHH)	C[3x3,4](C[3x3]C[3,3]C[3x3]C[3]HH)(C[3x3]C[3,3]C[3x3]H[3])(C[3,3]C[3x3]H[3]HH)(C[3,3]C[3x3]C[3])(C[6]C[3,6]2H)(C[4]H[4]HH)(C[4]H[4]){2|O<2>,3|H<1>,4|C<4>}	C[3,3](C[3x3,4]C[3,3]C[3x3]2C[4]2C[6])(C[3x3]C[3x3,4]C[3x3]H[3])(H[3]C[3x3])(H)2{1|C<5>,1|H<2>,2|C<4>,5|H<1>}	C[3,3](C[3x3,4]C[3,3]C[3x3]2C[4]2C[6])(C[3x3]C[3x3,4]C[3x3]C[3]HH)(C[3]C[3x3]CHH){2|C<4>,2|H<2>,5|H<1>}	138.2680	0.000	1	138.2680	0.000	1	138.2680	0.000	1	138.2680	0.000	1	138.2680	0.000	1	138.2680	0.000	1
238	778	920	3:SPD7_SP3_SPD5	C[6x3,4,4]	C[4x3,4,4,5]	O[4x3,4,4]	6:5:4:4:3:2:1:	7:6:4:5:3:	6:5:7:4:	C[4x3,4,4,5]-6:C[4x3,4,4,5]-5:C[3,4x4,5]-4:O[4x3,4,4]-4:H[3,3]-3:H[3]-2:H-1:	C[6x3,4,4]-7:C[4x3,4,4,5]-6:O[4x3,4,4]-4:C[4,4,5]-5:H[3,3]-3:	C[4x3,4,4,5]-6:C[4x3,4,4,5]-5:C[6x3,4,4]-7:C[3,4x4,5]-4:	C[6x3,4,4](C[4x3,4,4,5]C[4x3,4,4,5]H[3,4,4,5]O[4x3,4,4]H[3]H)(C[4x3,4,4,5]C[4x3,4,4,5]O[4x3,4,4]C[4,4,5]H[3,3])(C[3,4x4,5]H[3,4,4,5]O[4x3,4,4]C[4,4,5])(O[4x3,4,4]C[4x3,4,4,5]2C[3,4x4,5])(H[3,3]C[4x3,4,4,5]H[3])(H[3]H[3,3])(H)	C[4x3,4,4,5](C[6x3,4,4]C[4x3,4,4,5]C[3,4x4,5]O[4x3,4,4]H[3,3]H[3]H)(C[4x3,4,4,5]C[6x3,4,4]H[3,4,4,5]O[4x3,4,4]H[3]H)(O[4x3,4,4]C[4x3,4,4,5]C[3,4x4,5]C[6x3,4,4])(C[4,4,5]C[3,4x4,5]HHO)(H[3,3]C[6x3,4,4]H[3])	O[4x3,4,4](C[4x3,4,4,5]C[4x3,4,4,5]C[6x3,4,4]H[3,4,4,5]H[3]H)(C[4x3,4,4,5]C[4x3,4,4,5]C[6x3,4,4]C[4,4,5]H[3,3])(C[6x3,4,4]C[4x3,4,4,5]2C[3,4x4,5]H[3,3]H[3]H)(C[3,4x4,5]C[6x3,4,4]H[3,4,4,5]C[4,4,5])	C[6x3,4,4](C[4x3,4,4,5]C[4x3,4,4,5]H[3,4,4,5]O[4x3,4,4]H[3]H)(C[4x3,4,4,5]C[4x3,4,4,5]O[4x3,4,4]C[4,4,5]H[3,3])(C[3,4x4,5]H[3,4,4,5]O[4x3,4,4]C[4,4,5])(O[4x3,4,4]C[4x3,4,4,5]2C[3,4x4,5])(H[3,3]C[4x3,4,4,5]H[3])(H[3]H[3,3])(H){1|O<2>,2|H<1>}	C[4x3,4,4,5](C[6x3,4,4]C[4x3,4,4,5]C[3,4x4,5]O[4x3,4,4]H[3,3]H[3]H)(C[4x3,4,4,5]C[6x3,4,4]H[3,4,4,5]O[4x3,4,4]H[3]H)(O[4x3,4,4]C[4x3,4,4,5]C[3,4x4,5]C[6x3,4,4])(C[4,4,5]C[3,4x4,5]HHO)(H[3,3]C[6x3,4,4]H[3])	O[4x3,4,4](C[4x3,4,4,5]C[4x3,4,4,5]C[6x3,4,4]H[3,4,4,5]H[3]H)(C[4x3,4,4,5]C[4x3,4,4,5]C[6x3,4,4]C[4,4,5]H[3,3])(C[6x3,4,4]C[4x3,4,4,5]2C[3,4x4,5]H[3,3]H[3]H)(C[3,4x4,5]C[6x3,4,4]H[3,4,4,5]C[4,4,5]){1|O<2>,2|H<1>}	65.5989	0.000	1	65.5989	0.000	1	65.5989	0.000	1	65.5989	0.000	1	65.5989	0.000	1	65.5989	0.000	1
238	778	930	0:SPD7_SP2_SPD5	C[4x3,4,4]	C[3,3,3x4]	C	6:5:6:5:6:4:3:	7:6:2:2:2:	7:3:1:	C[3x3]-6:C[3,3,3x4]-5:C[3x3]-6:C[3,3]-5:C[3,3]-6:C[3x4]-4:C-3:	C[4x3,4,4]-7:C[3x3]-6:H[4,4]-2:H[4,4]-2:H[3]-2:	C[4x3,4,4]-7:N-3:O-1:	C[4x3,4,4](C[3x3]C[3,3,3x4]C[3,3]H[3]HH)(C[3,3,3x4]C[3x3]H[4,4]2H[3])(C[3x3]C[3,3]2H[3]HH)(C[3,3]C[3x3]H[3]HH)(C[3,3]C[3x3]2H3)(C[3x4]H[4,4]2H)(CNO)	C[3,3,3x4](C[4x3,4,4]C[3,3]2C[3x3]2C[3x4]C)(C[3x3]C[4x3,4,4]C[3,3]H[3]HH)(H[4,4]C[3x4])2(H[3]C[3x3])	C(C[4x3,4,4]C[3,3,3x4]C[3,3]2C[3x3]2C[3x4])(NC[6a]H)(O)	C[4x3,4,4](C[3x3]C[3,3,3x4]C[3,3]H[3]HH)(C[3,3,3x4]C[3x3]H[4,4]2H[3])(C[3x3]C[3,3]2H[3]HH)(C[3,3]C[3x3]H[3]HH)(C[3,3]C[3x3]2H3)(C[3x4]H[4,4]2H)(CNO)	C[3,3,3x4](C[4x3,4,4]C[3,3]2C[3x3]2C[3x4]C)(C[3x3]C[4x3,4,4]C[3,3]H[3]HH)(H[4,4]C[3x4])2(H[3]C[3x3]){1|H<2>,8|H<1>}	C(C[4x3,4,4]C[3,3,3x4]C[3,3]2C[3x3]2C[3x4])(NC[6a]H)(O)	116.1430	0.000	1	116.1430	0.000	1	116.1430	0.000	1	116.1430	0.000	1	116.1430	0.000	1	111.8820	36.312	2
238	778	930	0:SPD7_SP2_SPD5	C[4x3,4,4]	C[3,3]	C	6:5:6:5:6:4:3:	7:6:2:1:1:	7:3:1:	C[3x3]-6:C[3,3,3x4]-5:C[3x3]-6:C[3,3]-5:C[3,3]-6:C[3x4]-4:C-3:	C[4x3,4,4]-7:C[3x3]-6:H[3]-2:H-1:H-1:	C[4x3,4,4]-7:N-3:O-1:	C[4x3,4,4](C[3x3]C[3,3,3x4]C[3,3]H[3]HH)(C[3,3,3x4]C[3x3]H[4,4]2H[3])(C[3x3]C[3,3]2H[3]HH)(C[3,3]C[3x3]H[3]HH)(C[3,3]C[3x3]2H3)(C[3x4]H[4,4]2H)(CNO)	C[3,3](C[4x3,4,4]C[3,3,3x4]C[3,3]C[3x3]2C[3x4]C)(C[3x3]C[4x3,4,4]C[3,3]H[3]HH)(H[3]C[3x3])(H)2	C(C[4x3,4,4]C[3,3,3x4]C[3,3]2C[3x3]2C[3x4])(NC[6a]H)(O)	C[4x3,4,4](C[3x3]C[3,3,3x4]C[3,3]H[3]HH)(C[3,3,3x4]C[3x3]H[4,4]2H[3])(C[3x3]C[3,3]2H[3]HH)(C[3,3]C[3x3]H[3]HH)(C[3,3]C[3x3]2H3)(C[3x4]H[4,4]2H)(CNO)	C[3,3](C[4x3,4,4]C[3,3,3x4]C[3,3]C[3x3]2C[3x4]C)(C[3x3]C[4x3,4,4]C[3,3]H[3]HH)(H[3]C[3x3])(H)2{3|H<2>,6|H<1>}	C(C[4x3,4,4]C[3,3,3x4]C[3,3]2C[3x3]2C[3x4])(NC[6a]H)(O)	107.6210	0.000	1	107.6210	0.000	1	107.6210	0.000	1	107.6210	0.000	1	107.6210	0.000	1	111.8820	36.312	2
238	778	951	0:SPD7_SP-NON_SPD5	C[3x3,3x4]	C[3,3,4,4]	H	5:5:5:2:2:2:1:	7:5:3:2:1:	7:	C[3,3,4,4]-5:C[4x3]-5:C[4,4]-5:H[4,4]-2:H[3]-2:H[3]-2:H-1:	C[3x3,3x4]-7:C[4x3]-5:C[3x4]-3:H[3]-2:H-1:	C[3x3,3x4]-7:	C[3x3,3x4](C[3,3,4,4]C[3x4]C[4x3]H[3]H)(C[4x3]C[3,3,4,4]H[3]3)(C[4,4]C[3x4]HHO)(H[4,4]C[3x4])(H[3]C[4x3])2(H)	C[3,3,4,4](C[3x3,3x4]C[4,4]C[4x3]H[4,4]H[3]2H)(C[4x3]C[3x3,3x4]H[3]3)(C[3x4]C[4,4]H[4,4])(H[3]C[4x3])(H)	H(C[3x3,3x4]C[3,3,4,4]C[4,4]C[4x3]H[4,4]H[3]2)	C[3x3,3x4](C[3,3,4,4]C[3x4]C[4x3]H[3]H)(C[4x3]C[3,3,4,4]H[3]3)(C[4,4]C[3x4]HHO)(H[4,4]C[3x4])(H[3]C[4x3])2(H)	C[3,3,4,4](C[3x3,3x4]C[4,4]C[4x3]H[4,4]H[3]2H)(C[4x3]C[3x3,3x4]H[3]3)(C[3x4]C[4,4]H[4,4])(H[3]C[4x3])(H){1|O<2>,2|H<1>}	H(C[3x3,3x4]C[3,3,4,4]C[4,4]C[4x3]H[4,4]H[3]2)	112.5840	0.000	1	112.5840	0.000	1	112.5840	0.000	1	112.5840	0.000	1	112.5840	0.000	1	132.3266	309.037	5
238	778	951	0:SPD7_SP-NON_SPD5	C[3x3,3x4]	C[4x3]	H	5:5:5:2:2:2:1:	7:5:2:2:2:	7:	C[3,3,4,4]-5:C[4x3]-5:C[4,4]-5:H[4,4]-2:H[3]-2:H[3]-2:H-1:	C[3x3,3x4]-7:C[3,3,4,4]-5:H[3]-2:H[3]-2:H[3]-2:	C[3x3,3x4]-7:	C[3x3,3x4](C[3,3,4,4]C[3x4]C[4x3]H[3]H)(C[4x3]C[3,3,4,4]H[3]3)(C[4,4]C[3x4]HHO)(H[4,4]C[3x4])(H[3]C[4x3])2(H)	C[4x3](C[3x3,3x4]C[3,3,4,4]C[4,4]H[4,4]H[3]2H)(C[3,3,4,4]C[3x3,3x4]C[3x4]H[3]H)(H[3]C[3,3,4,4])(H[3]C[3x3,3x4])2	H(C[3x3,3x4]C[3,3,4,4]C[4,4]C[4x3]H[4,4]H[3]2)	C[3x3,3x4](C[3,3,4,4]C[3x4]C[4x3]H[3]H)(C[4x3]C[3,3,4,4]H[3]3)(C[4,4]C[3x4]HHO)(H[4,4]C[3x4])(H[3]C[4x3])2(H)	C[4x3](C[3x3,3x4]C[3,3,4,4]C[4,4]H[4,4]H[3]2H)(C[3,3,4,4]C[3x3,3x4]C[3x4]H[3]H)(H[3]C[3,3,4,4])(H[3]C[3x3,3x4])2{1|O<2>,2|H<1>}	H(C[3x3,3x4]C[3,3,4,4]C[4,4]C[4x3]H[4,4]H[3]2)	149.8050	0.000	1	149.8050	0.000	1	149.8050	0.000	1	149.8050	0.000	1	149.8050	0.000	1	132.3266	309.037	5
238	778	951	0:SPD7_SP-NON_SPD5	C[4x3]	C[3,3]	H	6:5:5:3:2:1:1:	7:5:3:1:1:	7:	C[3x3]-6:C[3,3]-5:N[3x3]-5:H[3,3]-3:H[3]-2:H-1:H-1:	C[4x3]-7:N[3x3]-5:H[3,3]-3:H-1:H-1:	C[4x3]-7:	C[4x3](C[3x3]C[3x3]H[3,3]N[3x3]HH)(C[3,3]H[3,3]N[3x3]HH)(N[3x3]C[3,3]C[3x3]2C)(H[3,3]C[3,3]H[3])(H[3]H[3,3])(H)2	C[3,3](C[4x3]C[3x3]H[3,3]N[3x3]H[3]HH)(N[3x3]C[3x3]2C[4x3]C)(H[3,3]C[4x3]H[3])(H)2	H(C[4x3]C[3,3]C[3x3]H[3,3]N[3x3]H[3]H)	C[4x3](C[3x3]C[3x3]H[3,3]N[3x3]HH)(C[3,3]H[3,3]N[3x3]HH)(N[3x3]C[3,3]C[3x3]2C)(H[3,3]C[3,3]H[3])(H[3]H[3,3])(H)2{1|H<2>,2|H<1>}	C[3,3](C[4x3]C[3x3]H[3,3]N[3x3]H[3]HH)(N[3x3]C[3x3]2C[4x3]C)(H[3,3]C[4x3]H[3])(H)2{1|H<2>,1|H<3>,4|H<1>}	H(C[4x3]C[3,3]C[3x3]H[3,3]N[3x3]H[3]H)	123.9710	6.418	2	123.9710	41.187	2	123.9710	41.187	2	123.9710	41.187	2	123.9710	41.187	2	132.3266	309.037	5
238	778	951	0:SPD7_SP-NON_SPD5	C[6x3,4,4]	C[4x3,4,4,5]	H	6:5:4:4:3:2:1:	7:6:4:5:3:	7:	C[4x3,4,4,5]-6:C[4x3,4,4,5]-5:C[3,4x4,5]-4:O[4x3,4,4]-4:H[3,3]-3:H[3]-2:H-1:	C[6x3,4,4]-7:C[4x3,4,4,5]-6:O[4x3,4,4]-4:C[4,4,5]-5:H[3,3]-3:	C[6x3,4,4]-7:	C[6x3,4,4](C[4x3,4,4,5]C[4x3,4,4,5]H[3,4,4,5]O[4x3,4,4]H[3]H)(C[4x3,4,4,5]C[4x3,4,4,5]O[4x3,4,4]C[4,4,5]H[3,3])(C[3,4x4,5]H[3,4,4,5]O[4x3,4,4]C[4,4,5])(O[4x3,4,4]C[4x3,4,4,5]2C[3,4x4,5])(H[3,3]C[4x3,4,4,5]H[3])(H[3]H[3,3])(H)	C[4x3,4,4,5](C[6x3,4,4]C[4x3,4,4,5]C[3,4x4,5]O[4x3,4,4]H[3,3]H[3]H)(C[4x3,4,4,5]C[6x3,4,4]H[3,4,4,5]O[4x3,4,4]H[3]H)(O[4x3,4,4]C[4x3,4,4,5]C[3,4x4,5]C[6x3,4,4])(C[4,4,5]C[3,4x4,5]HHO)(H[3,3]C[6x3,4,4]H[3])	H(C[6x3,4,4]C[4x3,4,4,5]2C[3,4x4,5]O[4x3,4,4]H[3,3]H[3])	C[6x3,4,4](C[4x3,4,4,5]C[4x3,4,4,5]H[3,4,4,5]O[4x3,4,4]H[3]H)(C[4x3,4,4,5]C[4x3,4,4,5]O[4x3,4,4]C[4,4,5]H[3,3])(C[3,4x4,5]H[3,4,4,5]O[4x3,4,4]C[4,4,5])(O[4x3,4,4]C[4x3,4,4,5]2C[3,4x4,5])(H[3,3]C[4x3,4,4,5]H[3])(H[3]H[3,3])(H){1|O<2>,2|H<1>}	C[4x3,4,4,5](C[6x3,4,4]C[4x3,4,4,5]C[3,4x4,5]O[4x3,4,4]H[3,3]H[3]H)(C[4x3,4,4,5]C[6x3,4,4]H[3,4,4,5]O[4x3,4,4]H[3]H)(O[4x3,4,4]C[4x3,4,4,5]C[3,4x4,5]C[6x3,4,4])(C[4,4,5]C[3,4x4,5]HHO)(H[3,3]C[6x3,4,4]H[3])	H(C[6x3,4,4]C[4x3,4,4,5]2C[3,4x4,5]O[4x3,4,4]H[3,3]H[3])	151.3020	0.000	1	151.3020	0.000	1	151.3020	0.000	1	151.3020	0.000	1	151.3020	0.000	1	132.3266	309.037	5
238	778	968	0:SPD7_SP-NON_SPD5	C[3x3,3x4]	C[3,3,4,4]	H[3]	5:5:5:2:2:2:1:	7:5:3:2:1:	7:5:	C[3,3,4,4]-5:C[4x3]-5:C[4,4]-5:H[4,4]-2:H[3]-2:H[3]-2:H-1:	C[3x3,3x4]-7:C[4x3]-5:C[3x4]-3:H[3]-2:H-1:	C[3x3,3x4]-7:C[4x3]-5:	C[3x3,3x4](C[3,3,4,4]C[3x4]C[4x3]H[3]H)(C[4x3]C[3,3,4,4]H[3]3)(C[4,4]C[3x4]HHO)(H[4,4]C[3x4])(H[3]C[4x3])2(H)	C[3,3,4,4](C[3x3,3x4]C[4,4]C[4x3]H[4,4]H[3]2H)(C[4x3]C[3x3,3x4]H[3]3)(C[3x4]C[4,4]H[4,4])(H[3]C[4x3])(H)	H[3](C[3x3,3x4]C[3,3,4,4]C[4,4]C[4x3]H[4,4]H[3]H)(C[4x3]C[3,3,4,4]C[3x3,3x4]H[3]2)	C[3x3,3x4](C[3,3,4,4]C[3x4]C[4x3]H[3]H)(C[4x3]C[3,3,4,4]H[3]3)(C[4,4]C[3x4]HHO)(H[4,4]C[3x4])(H[3]C[4x3])2(H)	C[3,3,4,4](C[3x3,3x4]C[4,4]C[4x3]H[4,4]H[3]2H)(C[4x3]C[3x3,3x4]H[3]3)(C[3x4]C[4,4]H[4,4])(H[3]C[4x3])(H){1|O<2>,2|H<1>}	H[3](C[3x3,3x4]C[3,3,4,4]C[4,4]C[4x3]H[4,4]H[3]H)(C[4x3]C[3,3,4,4]C[3x3,3x4]H[3]2)	84.8928	28.450	2	84.8928	809.407	2	84.8928	809.407	2	84.8928	809.407	2	84.8928	809.407	2	65.3802	713.000	6
238	778	968	0:SPD7_SP-NON_SPD5	C[3x3,3x4]	C[4x3]	H[3]	5:5:5:2:2:2:1:	7:5:2:2:2:	7:5:	C[3,3,4,4]-5:C[4x3]-5:C[4,4]-5:H[4,4]-2:H[3]-2:H[3]-2:H-1:	C[3x3,3x4]-7:C[3,3,4,4]-5:H[3]-2:H[3]-2:H[3]-2:	C[3x3,3x4]-7:C[4x3]-5:	C[3x3,3x4](C[3,3,4,4]C[3x4]C[4x3]H[3]H)(C[4x3]C[3,3,4,4]H[3]3)(C[4,4]C[3x4]HHO)(H[4,4]C[3x4])(H[3]C[4x3])2(H)	C[4x3](C[3x3,3x4]C[3,3,4,4]C[4,4]H[4,4]H[3]2H)(C[3,3,4,4]C[3x3,3x4]C[3x4]H[3]H)(H[3]C[3,3,4,4])(H[3]C[3x3,3x4])2	H[3](C[3x3,3x4]C[3,3,4,4]C[4,4]C[4x3]H[4,4]H[3]H)(C[4x3]C[3,3,4,4]C[3x3,3x4]H[3]2)	C[3x3,3x4](C[3,3,4,4]C[3x4]C[4x3]H[3]H)(C[4x3]C[3,3,4,4]H[3]3)(C[4,4]C[3x4]HHO)(H[4,4]C[3x4])(H[3]C[4x3])2(H)	C[4x3](C[3x3,3x4]C[3,3,4,4]C[4,4]H[4,4]H[3]2H)(C[3,3,4,4]C[3x3,3x4]C[3x4]H[3]H)(H[3]C[3,3,4,4])(H[3]C[3x3,3x4])2{1|O<2>,2|H<1>}	H[3](C[3x3,3x4]C[3,3,4,4]C[4,4]C[4x3]H[4,4]H[3]H)(C[4x3]C[3,3,4,4]C[3x3,3x4]H[3]2)	46.3589	6.385	2	46.3589	40.764	2	46.3589	40.764	2	46.3589	40.764	2	46.3589	40.764	2	65.3802	713.000	6
238	778	968	0:SPD7_SP-NON_SPD5	C[4x3]	C[3,3]	H[3]	6:5:5:3:2:1:1:	7:5:3:1:1:	7:3:	C[3x3]-6:C[3,3]-5:N[3x3]-5:H[3,3]-3:H[3]-2:H-1:H-1:	C[4x3]-7:N[3x3]-5:H[3,3]-3:H-1:H-1:	C[4x3]-7:H[3,3]-3:	C[4x3](C[3x3]C[3x3]H[3,3]N[3x3]HH)(C[3,3]H[3,3]N[3x3]HH)(N[3x3]C[3,3]C[3x3]2C)(H[3,3]C[3,3]H[3])(H[3]H[3,3])(H)2	C[3,3](C[4x3]C[3x3]H[3,3]N[3x3]H[3]HH)(N[3x3]C[3x3]2C[4x3]C)(H[3,3]C[4x3]H[3])(H)2	H[3](C[4x3]C[3,3]C[3x3]H[3,3]N[3x3]HH)(H[3,3]C[3,3]C[4x3])	C[4x3](C[3x3]C[3x3]H[3,3]N[3x3]HH)(C[3,3]H[3,3]N[3x3]HH)(N[3x3]C[3,3]C[3x3]2C)(H[3,3]C[3,3]H[3])(H[3]H[3,3])(H)2{1|H<2>,2|H<1>}	C[3,3](C[4x3]C[3x3]H[3,3]N[3x3]H[3]HH)(N[3x3]C[3x3]2C[4x3]C)(H[3,3]C[4x3]H[3])(H)2{1|H<2>,1|H<3>,4|H<1>}	H[3](C[4x3]C[3,3]C[3x3]H[3,3]N[3x3]HH)(H[3,3]C[3,3]C[4x3])	40.0973	0.000	1	40.0973	0.000	1	40.0973	0.000	1	40.0973	0.000	1	40.0973	0.000	1	65.3802	713.000	6
238	778	968	0:SPD7_SP-NON_SPD5	C[6x3,4,4]	C[4x3,4,4,5]	H[3]	6:5:4:4:3:2:1:	7:6:4:5:3:	7:3:	C[4x3,4,4,5]-6:C[4x3,4,4,5]-5:C[3,4x4,5]-4:O[4x3,4,4]-4:H[3,3]-3:H[3]-2:H-1:	C[6x3,4,4]-7:C[4x3,4,4,5]-6:O[4x3,4,4]-4:C[4,4,5]-5:H[3,3]-3:	C[6x3,4,4]-7:H[3,3]-3:	C[6x3,4,4](C[4x3,4,4,5]C[4x3,4,4,5]H[3,4,4,5]O[4x3,4,4]H[3]H)(C[4x3,4,4,5]C[4x3,4,4,5]O[4x3,4,4]C[4,4,5]H[3,3])(C[3,4x4,5]H[3,4,4,5]O[4x3,4,4]C[4,4,5])(O[4x3,4,4]C[4x3,4,4,5]2C[3,4x4,5])(H[3,3]C[4x3,4,4,5]H[3])(H[3]H[3,3])(H)	C[4x3,4,4,5](C[6x3,4,4]C[4x3,4,4,5]C[3,4x4,5]O[4x3,4,4]H[3,3]H[3]H)(C[4x3,4,4,5]C[6x3,4,4]H[3,4,4,5]O[4x3,4,4]H[3]H)(O[4x3,4,4]C[4x3,4,4,5]C[3,4x4,5]C[6x3,4,4])(C[4,4,5]C[3,4x4,5]HHO)(H[3,3]C[6x3,4,4]H[3])	H[3](C[6x3,4,4]C[4x3,4,4,5]2C[3,4x4,5]O[4x3,4,4]H[3,3]H)(H[3,3]C[4x3,4,4,5]C[6x3,4,4])	C[6x3,4,4](C[4x3,4,4,5]C[4x3,4,4,5]H[3,4,4,5]O[4x3,4,4]H[3]H)(C[4x3,4,4,5]C[4x3,4,4,5]O[4x3,4,4]C[4,4,5]H[3,3])(C[3,4x4,5]H[3,4,4,5]O[4x3,4,4]C[4,4,5])(O[4x3,4,4]C[4x3,4,4,5]2C[3,4x4,5])(H[3,3]C[4x3,4,4,5]H[3])(H[3]H[3,3])(H){1|O<2>,2|H<1>}	C[4x3,4,4,5](C[6x3,4,4]C[4x3,4,4,5]C[3,4x4,5]O[4x3,4,4]H[3,3]H[3]H)(C[4x3,4,4,5]C[6x3,4,4]H[3,4,4,5]O[4x3,4,4]H[3]H)(O[4x3,4,4]C[4x3,4,4,5]C[3,4x4,5]C[6x3,4,4])(C[4,4,5]C[3,4x4,5]HHO)(H[3,3]C[6x3,4,4]H[3])	H[3](C[6x3,4,4]C[4x3,4,4,5]2C[3,4x4,5]O[4x3,4,4]H[3,3]H)(H[3,3]C[4x3,4,4,5]C[6x3,4,4])	89.6804	0.000	1	89.6804	0.000	1	89.6804	0.000	1	89.6804	0.000	1	89.6804	0.000	1	65.3802	713.000	6
238	782	951	0:SPD7_SP-NON_SPD5	C[4x3]	N[3x3]	H	6:5:5:3:2:1:1:	7:6:6:5:2:	7:	C[3x3]-6:C[3,3]-5:N[3x3]-5:H[3,3]-3:H[3]-2:H-1:H-1:	C[4x3]-7:C[3x3]-6:C[3x3]-6:C[3,3]-5:C-2:	C[4x3]-7:	C[4x3](C[3x3]C[3x3]H[3,3]N[3x3]HH)(C[3,3]H[3,3]N[3x3]HH)(N[3x3]C[3,3]C[3x3]2C)(H[3,3]C[3,3]H[3])(H[3]H[3,3])(H)2	N[3x3](C[4x3]C[3,3]C[3x3]H[3,3]H[3]HH)(C[3x3]C[3x3]C[4x3]H[3,3]HH)(C[3x3]C[3x3]H[3,3]H[3]HH)(C[3,3]C[4x3]H[3,3]HH)(CN)	H(C[4x3]C[3,3]C[3x3]H[3,3]N[3x3]H[3]H)	C[4x3](C[3x3]C[3x3]H[3,3]N[3x3]HH)(C[3,3]H[3,3]N[3x3]HH)(N[3x3]C[3,3]C[3x3]2C)(H[3,3]C[3,3]H[3])(H[3]H[3,3])(H)2{1|H<2>,2|H<1>}	N[3x3](C[4x3]C[3,3]C[3x3]H[3,3]H[3]HH)(C[3x3]C[3x3]C[4x3]H[3,3]HH)(C[3x3]C[3x3]H[3,3]H[3]HH)(C[3,3]C[4x3]H[3,3]HH)(CN)	H(C[4x3]C[3,3]C[3x3]H[3,3]N[3x3]H[3]H)	109.4615	0.064	2	109.4615	0.004	2	109.4615	0.004	2	109.4615	0.004	2	109.4615	0.004	2	109.4615	0.004	2
238	782	968	0:SPD7_SP-NON_SPD5	C[4x3]	N[3x3]	H[3]	6:5:5:3:2:1:1:	7:6:6:5:2:	7:3:	C[3x3]-6:C[3,3]-5:N[3x3]-5:H[3,3]-3:H[3]-2:H-1:H-1:	C[4x3]-7:C[3x3]-6:C[3x3]-6:C[3,3]-5:C-2:	C[4x3]-7:H[3,3]-3:	C[4x3](C[3x3]C[3x3]H[3,3]N[3x3]HH)(C[3,3]H[3,3]N[3x3]HH)(N[3x3]C[3,3]C[3x3]2C)(H[3,3]C[3,3]H[3])(H[3]H[3,3])(H)2	N[3x3](C[4x3]C[3,3]C[3x3]H[3,3]H[3]HH)(C[3x3]C[3x3]C[4x3]H[3,3]HH)(C[3x3]C[3x3]H[3,3]H[3]HH)(C[3,3]C[4x3]H[3,3]HH)(CN)	H[3](C[4x3]C[3,3]C[3x3]H[3,3]N[3x3]HH)(H[3,3]C[3,3]C[4x3])	C[4x3](C[3x3]C[3x3]H[3,3]N[3x3]HH)(C[3,3]H[3,3]N[3x3]HH)(N[3x3]C[3,3]C[3x3]2C)(H[3,3]C[3,3]H[3])(H[3]H[3,3])(H)2{1|H<2>,2|H<1>}	N[3x3](C[4x3]C[3,3]C[3x3]H[3,3]H[3]HH)(C[3x3]C[3x3]C[4x3]H[3,3]HH)(C[3x3]C[3x3]H[3,3]H[3]HH)(C[3,3]C[4x3]H[3,3]HH)(CN)	H[3](C[4x3]C[3,3]C[3x3]H[3,3]N[3x3]HH)(H[3,3]C[3,3]C[4x3])	109.5050	0.000	1	109.5050	0.000	1	109.5050	0.000	1	109.5050	0.000	1	109.5050	0.000	1	109.5050	0.000	1
238	794	802	0:SPD7_SP-NON_SPD5	C[3x3,3x4]	C[4,4]	H[4,4]	5:5:5:2:2:2:1:	7:3:2:1:1:	7:3:	C[3,3,4,4]-5:C[4x3]-5:C[4,4]-5:H[4,4]-2:H[3]-2:H[3]-2:H-1:	C[3x3,3x4]-7:C[3x4]-3:O-2:H-1:H-1:	C[3x3,3x4]-7:C[3x4]-3:	C[3x3,3x4](C[3,3,4,4]C[3x4]C[4x3]H[3]H)(C[4x3]C[3,3,4,4]H[3]3)(C[4,4]C[3x4]HHO)(H[4,4]C[3x4])(H[3]C[4x3])2(H)	C[4,4](C[3x3,3x4]C[3,3,4,4]C[4x3]H[4,4]H[3]2H)(C[3x4]C[3,3,4,4]H[4,4])(OC[6a])(H)2	H[4,4](C[3x3,3x4]C[3,3,4,4]C[4,4]C[4x3]H[3]2H)(C[3x4]C[3,3,4,4]C[4,4])	C[3x3,3x4](C[3,3,4,4]C[3x4]C[4x3]H[3]H)(C[4x3]C[3,3,4,4]H[3]3)(C[4,4]C[3x4]HHO)(H[4,4]C[3x4])(H[3]C[4x3])2(H)	C[4,4](C[3x3,3x4]C[3,3,4,4]C[4x3]H[4,4]H[3]2H)(C[3x4]C[3,3,4,4]H[4,4])(OC[6a])(H)2{1|H<1>,1|H<2>}	H[4,4](C[3x3,3x4]C[3,3,4,4]C[4,4]C[4x3]H[3]2H)(C[3x4]C[3,3,4,4]C[4,4])	144.1280	0.000	1	144.1280	0.000	1	144.1280	0.000	1	144.1280	0.000	1	144.1280	0.000	1	144.1280	0.000	1
238	794	951	0:SPD7_SP-NON_SPD5	C[3x3,3x4,5,5]	C[4x4,5,5]	H	6:6:5:6:2:2:1:	7:5:2:2:1:	7:	C[3,3x4,4x5]-6:C[3x3,4,5,5]-6:C[4x4,5,5]-5:C[4,5,5]-6:H[3]-2:H[3]-2:H-1:	C[3x3,3x4,5,5]-7:S[4,5,5]-5:H[4,4,5]-2:H[4,4,5]-2:H-1:	C[3x3,3x4,5,5]-7:	C[3x3,3x4,5,5](C[3,3x4,4x5]C[3x3,4,5,5]C[4,5,5]H[4,4,5]2H)(C[3x3,4,5,5]C[3,3x4,4x5]S[4,5,5]H[3]2H)(C[4x4,5,5]H[4,4,5]2S[4,5,5]H)(C[4,5,5]H[4,5]2H3)(H[3]C[3x3,4,5,5])2(H)	C[4x4,5,5](C[3x3,3x4,5,5]C[3,3x4,4x5]C[3x3,4,5,5]C[4,5,5]H[3]2H)(S[4,5,5]C[3x3,4,5,5]C[5]OO)(H[4,4,5]C[3,3x4,4x5])2(H)	H(C[3x3,3x4,5,5]C[3,3x4,4x5]C[3x3,4,5,5]C[4x4,5,5]C[4,5,5]H[3]2)	C[3x3,3x4,5,5](C[3,3x4,4x5]C[3x3,4,5,5]C[4,5,5]H[4,4,5]2H)(C[3x3,4,5,5]C[3,3x4,4x5]S[4,5,5]H[3]2H)(C[4x4,5,5]H[4,4,5]2S[4,5,5]H)(C[4,5,5]H[4,5]2H3)(H[3]C[3x3,4,5,5])2(H){1|C<4>,1|H<1>,2|O<1>}	C[4x4,5,5](C[3x3,3x4,5,5]C[3,3x4,4x5]C[3x3,4,5,5]C[4,5,5]H[3]2H)(S[4,5,5]C[3x3,4,5,5]C[5]OO)(H[4,4,5]C[3,3x4,4x5])2(H){2|H<2>,3|C<4>,6|H<1>}	H(C[3x3,3x4,5,5]C[3,3x4,4x5]C[3x3,4,5,5]C[4x4,5,5]C[4,5,5]H[3]2)	109.3160	0.000	1	109.3160	0.000	1	109.3160	0.000	1	109.3160	0.000	1	109.3160	0.000	1	109.4365	0.029	2
238	794	951	0:SPD7_SP-NON_SPD5	C[3x3,3x4]	C[4,4]	H	5:5:5:2:2:2:1:	7:3:2:1:1:	7:	C[3,3,4,4]-5:C[4x3]-5:C[4,4]-5:H[4,4]-2:H[3]-2:H[3]-2:H-1:	C[3x3,3x4]-7:C[3x4]-3:O-2:H-1:H-1:	C[3x3,3x4]-7:	C[3x3,3x4](C[3,3,4,4]C[3x4]C[4x3]H[3]H)(C[4x3]C[3,3,4,4]H[3]3)(C[4,4]C[3x4]HHO)(H[4,4]C[3x4])(H[3]C[4x3])2(H)	C[4,4](C[3x3,3x4]C[3,3,4,4]C[4x3]H[4,4]H[3]2H)(C[3x4]C[3,3,4,4]H[4,4])(OC[6a])(H)2	H(C[3x3,3x4]C[3,3,4,4]C[4,4]C[4x3]H[4,4]H[3]2)	C[3x3,3x4](C[3,3,4,4]C[3x4]C[4x3]H[3]H)(C[4x3]C[3,3,4,4]H[3]3)(C[4,4]C[3x4]HHO)(H[4,4]C[3x4])(H[3]C[4x3])2(H)	C[4,4](C[3x3,3x4]C[3,3,4,4]C[4x3]H[4,4]H[3]2H)(C[3x4]C[3,3,4,4]H[4,4])(OC[6a])(H)2{1|H<1>,1|H<2>}	H(C[3x3,3x4]C[3,3,4,4]C[4,4]C[4x3]H[4,4]H[3]2)	109.5570	0.000	1	109.5570	0.000	1	109.5570	0.000	1	109.5570	0.000	1	109.5570	0.000	1	109.4365	0.029	2
238	794	968	0:SPD7_SP-NON_SPD5	C[3x3,3x4,5,5]	C[4x4,5,5]	H[3]	6:6:5:6:2:2:1:	7:5:2:2:1:	7:6:	C[3,3x4,4x5]-6:C[3x3,4,5,5]-6:C[4x4,5,5]-5:C[4,5,5]-6:H[3]-2:H[3]-2:H-1:	C[3x3,3x4,5,5]-7:S[4,5,5]-5:H[4,4,5]-2:H[4,4,5]-2:H-1:	C[3x3,3x4,5,5]-7:C[3x3,4,5,5]-6:	C[3x3,3x4,5,5](C[3,3x4,4x5]C[3x3,4,5,5]C[4,5,5]H[4,4,5]2H)(C[3x3,4,5,5]C[3,3x4,4x5]S[4,5,5]H[3]2H)(C[4x4,5,5]H[4,4,5]2S[4,5,5]H)(C[4,5,5]H[4,5]2H3)(H[3]C[3x3,4,5,5])2(H)	C[4x4,5,5](C[3x3,3x4,5,5]C[3,3x4,4x5]C[3x3,4,5,5]C[4,5,5]H[3]2H)(S[4,5,5]C[3x3,4,5,5]C[5]OO)(H[4,4,5]C[3,3x4,4x5])2(H)	H[3](C[3x3,3x4,5,5]C[3,3x4,4x5]C[3x3,4,5,5]C[4x4,5,5]C[4,5,5]H[3]H)(C[3x3,4,5,5]C[3x3,3x4,5,5]C[3,3x4,4x5]S[4,5,5]H[3]H)	C[3x3,3x4,5,5](C[3,3x4,4x5]C[3x3,4,5,5]C[4,5,5]H[4,4,5]2H)(C[3x3,4,5,5]C[3,3x4,4x5]S[4,5,5]H[3]2H)(C[4x4,5,5]H[4,4,5]2S[4,5,5]H)(C[4,5,5]H[4,5]2H3)(H[3]C[3x3,4,5,5])2(H){1|C<4>,1|H<1>,2|O<1>}	C[4x4,5,5](C[3x3,3x4,5,5]C[3,3x4,4x5]C[3x3,4,5,5]C[4,5,5]H[3]2H)(S[4,5,5]C[3x3,4,5,5]C[5]OO)(H[4,4,5]C[3,3x4,4x5])2(H){2|H<2>,3|C<4>,6|H<1>}	H[3](C[3x3,3x4,5,5]C[3,3x4,4x5]C[3x3,4,5,5]C[4x4,5,5]C[4,5,5]H[3]H)(C[3x3,4,5,5]C[3x3,3x4,5,5]C[3,3x4,4x5]S[4,5,5]H[3]H)	102.4362	9.817	2	102.4362	96.377	2	102.4362	96.377	2	102.4362	96.377	2	102.4362	96.377	2	93.3616	421.273	4
238	794	968	0:SPD7_SP-NON_SPD5	C[3x3,3x4]	C[4,4]	H[3]	5:5:5:2:2:2:1:	7:3:2:1:1:	7:5:	C[3,3,4,4]-5:C[4x3]-5:C[4,4]-5:H[4,4]-2:H[3]-2:H[3]-2:H-1:	C[3x3,3x4]-7:C[3x4]-3:O-2:H-1:H-1:	C[3x3,3x4]-7:C[4x3]-5:	C[3x3,3x4](C[3,3,4,4]C[3x4]C[4x3]H[3]H)(C[4x3]C[3,3,4,4]H[3]3)(C[4,4]C[3x4]HHO)(H[4,4]C[3x4])(H[3]C[4x3])2(H)	C[4,4](C[3x3,3x4]C[3,3,4,4]C[4x3]H[4,4]H[3]2H)(C[3x4]C[3,3,4,4]H[4,4])(OC[6a])(H)2	H[3](C[3x3,3x4]C[3,3,4,4]C[4,4]C[4x3]H[4,4]H[3]H)(C[4x3]C[3,3,4,4]C[3x3,3x4]H[3]2)	C[3x3,3x4](C[3,3,4,4]C[3x4]C[4x3]H[3]H)(C[4x3]C[3,3,4,4]H[3]3)(C[4,4]C[3x4]HHO)(H[4,4]C[3x4])(H[3]C[4x3])2(H)	C[4,4](C[3x3,3x4]C[3,3,4,4]C[4x3]H[4,4]H[3]2H)(C[3x4]C[3,3,4,4]H[4,4])(OC[6a])(H)2{1|H<1>,1|H<2>}	H[3](C[3x3,3x4]C[3,3,4,4]C[4,4]C[4x3]H[4,4]H[3]H)(C[4x3]C[3,3,4,4]C[3x3,3x4]H[3]2)	84.2870	28.949	2	84.2870	838.046	2	84.2870	838.046	2	84.2870	838.046	2	84.2870	838.046	2	93.3616	421.273	4
238	802	951	0:SPD7_SP-NON_SP-NON	C[3,3,3x4]	H[4,4]	H	7:7:3:2:2:1:1:	7:4:	7:	C[4x3,4,4]-7:C[4x3]-7:H[3,4,4]-3:H[3]-2:H[4,4]-2:H-1:H-1:	C[3,3,3x4]-7:C[3x4]-4:	C[3,3,3x4]-7:	C[3,3,3x4](C[4x3,4,4]C[3x3]C[3x4]C[4x3]2C[5x3]C[6a])(C[4x3]C[4x3,4,4]C[4x3]H[3]2HH)(H[3,4,4]C[3x4]H[3])(H[3]H[3,4,4])(H[4,4]C[3x4])(H)2	H[4,4](C[3,3,3x4]C[4x3,4,4]H[3,4,4]C[4x3]H[3]HH)(C[3x4]C[4x3,4,4]H[3,4,4]H)	H(C[3,3,3x4]C[4x3,4,4]H[3,4,4]C[4x3]H[4,4]H[3]H)	C[3,3,3x4](C[4x3,4,4]C[3x3]C[3x4]C[4x3]2C[5x3]C[6a])(C[4x3]C[4x3,4,4]C[4x3]H[3]2HH)(H[3,4,4]C[3x4]H[3])(H[3]H[3,4,4])(H[4,4]C[3x4])(H)2{1|H<3>,2|C<3>,2|H<2>,6|H<1>}	H[4,4](C[3,3,3x4]C[4x3,4,4]H[3,4,4]C[4x3]H[3]HH)(C[3x4]C[4x3,4,4]H[3,4,4]H)	H(C[3,3,3x4]C[4x3,4,4]H[3,4,4]C[4x3]H[4,4]H[3]H)	55.9408	52.951	2	55.9408	2803.822	2	55.9408	2803.822	2	55.9408	2803.822	2	55.9408	2803.822	2	84.8813	1305.274	6
238	802	951	0:SPD7_SP-NON_SP-NON	C[3x3,3x4]	H[4,4]	H	5:5:5:2:2:2:1:	7:3:	7:	C[3,3,4,4]-5:C[4x3]-5:C[4,4]-5:H[4,4]-2:H[3]-2:H[3]-2:H-1:	C[3x3,3x4]-7:C[3x4]-3:	C[3x3,3x4]-7:	C[3x3,3x4](C[3,3,4,4]C[3x4]C[4x3]H[3]H)(C[4x3]C[3,3,4,4]H[3]3)(C[4,4]C[3x4]HHO)(H[4,4]C[3x4])(H[3]C[4x3])2(H)	H[4,4](C[3x3,3x4]C[3,3,4,4]C[4,4]C[4x3]H[3]2H)(C[3x4]C[3,3,4,4]C[4,4])	H(C[3x3,3x4]C[3,3,4,4]C[4,4]C[4x3]H[4,4]H[3]2)	C[3x3,3x4](C[3,3,4,4]C[3x4]C[4x3]H[3]H)(C[4x3]C[3,3,4,4]H[3]3)(C[4,4]C[3x4]HHO)(H[4,4]C[3x4])(H[3]C[4x3])2(H)	H[4,4](C[3x3,3x4]C[3,3,4,4]C[4,4]C[4x3]H[3]2H)(C[3x4]C[3,3,4,4]C[4,4])	H(C[3x3,3x4]C[3,3,4,4]C[4,4]C[4x3]H[4,4]H[3]2)	69.2285	0.000	1	69.2285	0.000	1	69.2285	0.000	1	69.2285	0.000	1	69.2285	0.000	1	84.8813	1305.274	6
238	802	951	0:SPD7_SP-NON_SP-NON	C[4x3,4,6]	H[4]	H	7:6:7:2:2:2:1:	7:2:	7:	N[6x3]-7:C[3,3,4,6]-6:C[5x3,6]-7:H[3]-2:H[3]-2:H[4]-2:H-1:	C[4x3,4,6]-7:H[4]-2:	C[4x3,4,6]-7:	C[4x3,4,6](N[6x3]C[3,3,4,6]C[3x3,6]C[4x3,6]2C[5x3,6]Ru)(C[3,3,4,6]C[4x3,6]N[6x3]H[4]HH)(C[5x3,6]C[3x3,6]N[6x3]H[3]3H)(H[3]C[5x3,6])2(H[4]H[4])(H)	H[4](C[4x3,4,6]C[3,3,4,6]C[5x3,6]N[6x3]H[3]2H)(H[4]C[3,3,4,6])	H(C[4x3,4,6]C[3,3,4,6]C[5x3,6]N[6x3]H[3]2H[4])	C[4x3,4,6](N[6x3]C[3,3,4,6]C[3x3,6]C[4x3,6]2C[5x3,6]Ru)(C[3,3,4,6]C[4x3,6]N[6x3]H[4]HH)(C[5x3,6]C[3x3,6]N[6x3]H[3]3H)(H[3]C[5x3,6])2(H[4]H[4])(H){2|H<2>,7|H<1>}	H[4](C[4x3,4,6]C[3,3,4,6]C[5x3,6]N[6x3]H[3]2H)(H[4]C[3,3,4,6])	H(C[4x3,4,6]C[3,3,4,6]C[5x3,6]N[6x3]H[3]2H[4])	109.2980	0.000	1	109.2980	0.000	1	109.2980	0.000	1	109.2980	0.000	1	109.3927	0.007	3	84.8813	1305.274	6
238	802	951	0:SPD7_SP-NON_SP-NON	C[4x3,4,6]	H[4]	H	7:7:6:3:2:2:1:	7:2:	7:	C[6x3]-7:C[4x3,4,6]-7:C[3x3,4,6]-6:H[3,3]-3:H[3]-2:H[4]-2:H-1:	C[4x3,4,6]-7:H[4]-2:	C[4x3,4,6]-7:	C[4x3,4,6](C[6x3]C[3,3,4,4,6]2C[3x3,4,6]2C[4x3,4,6]C[6])(C[4x3,4,6]C[3x3,4,6]C[6x3]H[3,3]H[3]H[4]H)(C[3x3,4,6]C[3,3,4,4,6]C[6x3]H[3,3]H[4]H)(H[3,3]C[3x3,4,6]H[3])(H[3]H[3,3])(H[4]H[4])(H)	H[4](C[4x3,4,6]C[3x3,4,6]C[4x3,4,6]C[6x3]H[3,3]H[3]H)(H[4]C[4x3,4,6])	H(C[4x3,4,6]C[3x3,4,6]C[4x3,4,6]C[6x3]H[3,3]H[3]H[4])	C[4x3,4,6](C[6x3]C[3,3,4,4,6]2C[3x3,4,6]2C[4x3,4,6]C[6])(C[4x3,4,6]C[3x3,4,6]C[6x3]H[3,3]H[3]H[4]H)(C[3x3,4,6]C[3,3,4,4,6]C[6x3]H[3,3]H[4]H)(H[3,3]C[3x3,4,6]H[3])(H[3]H[3,3])(H[4]H[4])(H){2|C<3>,3|H<1>,5|H<2>}	H[4](C[4x3,4,6]C[3x3,4,6]C[4x3,4,6]C[6x3]H[3,3]H[3]H)(H[4]C[4x3,4,6])	H(C[4x3,4,6]C[3x3,4,6]C[4x3,4,6]C[6x3]H[3,3]H[3]H[4])	109.4400	0.008	2	109.4400	0.000	2	109.4400	0.000	2	109.4400	0.000	2	109.3927	0.007	3	84.8813	1305.274	6
238	802	968	0:SPD7_SP-NON_SP-NON	C[3,3,3x4]	H[4,4]	H[3]	7:7:3:2:2:1:1:	7:4:	7:3:	C[4x3,4,4]-7:C[4x3]-7:H[3,4,4]-3:H[3]-2:H[4,4]-2:H-1:H-1:	C[3,3,3x4]-7:C[3x4]-4:	C[3,3,3x4]-7:H[3,4,4]-3:	C[3,3,3x4](C[4x3,4,4]C[3x3]C[3x4]C[4x3]2C[5x3]C[6a])(C[4x3]C[4x3,4,4]C[4x3]H[3]2HH)(H[3,4,4]C[3x4]H[3])(H[3]H[3,4,4])(H[4,4]C[3x4])(H)2	H[4,4](C[3,3,3x4]C[4x3,4,4]H[3,4,4]C[4x3]H[3]HH)(C[3x4]C[4x3,4,4]H[3,4,4]H)	H[3](C[3,3,3x4]C[4x3,4,4]H[3,4,4]C[4x3]H[4,4]HH)(H[3,4,4]C[3,3,3x4]C[3x4])	C[3,3,3x4](C[4x3,4,4]C[3x3]C[3x4]C[4x3]2C[5x3]C[6a])(C[4x3]C[4x3,4,4]C[4x3]H[3]2HH)(H[3,4,4]C[3x4]H[3])(H[3]H[3,4,4])(H[4,4]C[3x4])(H)2{1|H<3>,2|C<3>,2|H<2>,6|H<1>}	H[4,4](C[3,3,3x4]C[4x3,4,4]H[3,4,4]C[4x3]H[3]HH)(C[3x4]C[4x3,4,4]H[3,4,4]H)	H[3](C[3,3,3x4]C[4x3,4,4]H[3,4,4]C[4x3]H[4,4]HH)(H[3,4,4]C[3,3,3x4]C[3x4])	125.1140	0.000	1	125.1140	0.000	1	125.1140	0.000	1	125.1140	0.000	1	125.1140	0.000	1	105.2160	853.130	6
238	802	968	0:SPD7_SP-NON_SP-NON	C[3x3,3x4]	H[4,4]	H[3]	5:5:5:2:2:2:1:	7:3:	7:5:	C[3,3,4,4]-5:C[4x3]-5:C[4,4]-5:H[4,4]-2:H[3]-2:H[3]-2:H-1:	C[3x3,3x4]-7:C[3x4]-3:	C[3x3,3x4]-7:C[4x3]-5:	C[3x3,3x4](C[3,3,4,4]C[3x4]C[4x3]H[3]H)(C[4x3]C[3,3,4,4]H[3]3)(C[4,4]C[3x4]HHO)(H[4,4]C[3x4])(H[3]C[4x3])2(H)	H[4,4](C[3x3,3x4]C[3,3,4,4]C[4,4]C[4x3]H[3]2H)(C[3x4]C[3,3,4,4]C[4,4])	H[3](C[3x3,3x4]C[3,3,4,4]C[4,4]C[4x3]H[4,4]H[3]H)(C[4x3]C[3,3,4,4]C[3x3,3x4]H[3]2)	C[3x3,3x4](C[3,3,4,4]C[3x4]C[4x3]H[3]H)(C[4x3]C[3,3,4,4]H[3]3)(C[4,4]C[3x4]HHO)(H[4,4]C[3x4])(H[3]C[4x3])2(H)	H[4,4](C[3x3,3x4]C[3,3,4,4]C[4,4]C[4x3]H[3]2H)(C[3x4]C[3,3,4,4]C[4,4])	H[3](C[3x3,3x4]C[3,3,4,4]C[4,4]C[4x3]H[4,4]H[3]H)(C[4x3]C[3,3,4,4]C[3x3,3x4]H[3]2)	85.0056	53.490	2	85.0056	2861.219	2	85.0056	2861.219	2	85.0056	2861.219	2	85.0056	2861.219	2	105.2160	853.130	6
238	802	968	0:SPD7_SP-NON_SP-NON	C[4x3,4,6]	H[4]	H[3]	7:6:7:2:2:2:1:	7:2:	7:7:	N[6x3]-7:C[3,3,4,6]-6:C[5x3,6]-7:H[3]-2:H[3]-2:H[4]-2:H-1:	C[4x3,4,6]-7:H[4]-2:	C[4x3,4,6]-7:C[5x3,6]-7:	C[4x3,4,6](N[6x3]C[3,3,4,6]C[3x3,6]C[4x3,6]2C[5x3,6]Ru)(C[3,3,4,6]C[4x3,6]N[6x3]H[4]HH)(C[5x3,6]C[3x3,6]N[6x3]H[3]3H)(H[3]C[5x3,6])2(H[4]H[4])(H)	H[4](C[4x3,4,6]C[3,3,4,6]C[5x3,6]N[6x3]H[3]2H)(H[4]C[3,3,4,6])	H[3](C[4x3,4,6]C[3,3,4,6]C[5x3,6]N[6x3]H[3]H[4]H)(C[5x3,6]C[4x3,4,6]C[3x3,6]N[6x3]H[3]2H)	C[4x3,4,6](N[6x3]C[3,3,4,6]C[3x3,6]C[4x3,6]2C[5x3,6]Ru)(C[3,3,4,6]C[4x3,6]N[6x3]H[4]HH)(C[5x3,6]C[3x3,6]N[6x3]H[3]3H)(H[3]C[5x3,6])2(H[4]H[4])(H){2|H<2>,7|H<1>}	H[4](C[4x3,4,6]C[3,3,4,6]C[5x3,6]N[6x3]H[3]2H)(H[4]C[3,3,4,6])	H[3](C[4x3,4,6]C[3,3,4,6]C[5x3,6]N[6x3]H[3]H[4]H)(C[5x3,6]C[4x3,4,6]C[3x3,6]N[6x3]H[3]2H)	113.3300	6.439	2	113.3300	41.460	2	113.3300	41.460	2	113.3300	41.460	2	112.0570	25.591	3	105.2160	853.130	6
238	802	968	0:SPD7_SP-NON_SP-NON	C[4x3,4,6]	H[4]	H[3]	7:7:6:3:2:2:1:	7:2:	7:3:	C[6x3]-7:C[4x3,4,6]-7:C[3x3,4,6]-6:H[3,3]-3:H[3]-2:H[4]-2:H-1:	C[4x3,4,6]-7:H[4]-2:	C[4x3,4,6]-7:H[3,3]-3:	C[4x3,4,6](C[6x3]C[3,3,4,4,6]2C[3x3,4,6]2C[4x3,4,6]C[6])(C[4x3,4,6]C[3x3,4,6]C[6x3]H[3,3]H[3]H[4]H)(C[3x3,4,6]C[3,3,4,4,6]C[6x3]H[3,3]H[4]H)(H[3,3]C[3x3,4,6]H[3])(H[3]H[3,3])(H[4]H[4])(H)	H[4](C[4x3,4,6]C[3x3,4,6]C[4x3,4,6]C[6x3]H[3,3]H[3]H)(H[4]C[4x3,4,6])	H[3](C[4x3,4,6]C[3x3,4,6]C[4x3,4,6]C[6x3]H[3,3]H[4]H)(H[3,3]C[3x3,4,6]C[4x3,4,6])	C[4x3,4,6](C[6x3]C[3,3,4,4,6]2C[3x3,4,6]2C[4x3,4,6]C[6])(C[4x3,4,6]C[3x3,4,6]C[6x3]H[3,3]H[3]H[4]H)(C[3x3,4,6]C[3,3,4,4,6]C[6x3]H[3,3]H[4]H)(H[3,3]C[3x3,4,6]H[3])(H[3]H[3,3])(H[4]H[4])(H){2|C<3>,3|H<1>,5|H<2>}	H[4](C[4x3,4,6]C[3x3,4,6]C[4x3,4,6]C[6x3]H[3,3]H[3]H)(H[4]C[4x3,4,6])	H[3](C[4x3,4,6]C[3x3,4,6]C[4x3,4,6]C[6x3]H[3,3]H[4]H)(H[3,3]C[3x3,4,6]C[4x3,4,6])	109.5110	0.000	1	109.5110	0.000	1	109.5110	0.000	1	109.5110	0.000	1	112.0570	25.591	3	105.2160	853.130	6
238	830	912	0:SPD7_SP-NON_SP-NON	C[3x3]	F	F[3,3]	4:3:2:2:2:2:1:	7:	7:2:2:	C[4]-4:F[3,3]-3:F[3]-2:F[3]-2:F[3]-2:F[3]-2:F-1:	C[3x3]-7:	C[3x3]-7:F[3]-2:F[3]-2:	C[3x3](C[4]C[4,5,6]N[4]C)(F[3,3]F[3]2)(F[3]F[3,3])2(F[3]F[3])2(F)	F(C[3x3]F[3,3]C[4]F[3]4)	F[3,3](C[3x3]C[4]F[3]4F)(F[3]C[3x3])2	C[3x3](C[4]C[4,5,6]N[4]C)(F[3,3]F[3]2)(F[3]F[3,3])2(F[3]F[3])2(F){1|H<1>,1|N<2>,2|C<4>}	F(C[3x3]F[3,3]C[4]F[3]4)	F[3,3](C[3x3]C[4]F[3]4F)(F[3]C[3x3])2{1|N<3>,2|C<4>}	104.3730	0.000	1	104.3730	0.000	1	104.3730	0.000	1	104.3730	0.000	1	104.3730	0.000	1	104.3730	0.000	1
238	893	951	0:SPD7_SP-NON_SP3	C[4x3]	O	H	7:2:2:2:2:2:1:	7:1:	7:	C[4x3]-7:H[3]-2:H[3]-2:H[3]-2:H[3]-2:O-2:H-1:	C[4x3]-7:H-1:	C[4x3]-7:	C[4x3](C[4x3]H[3]4HO)(H[3]C[4x3])4(OH)(H)	O(C[4x3]C[4x3]H[3]4H)(H)	H(C[4x3]C[4x3]H[3]4O)	C[4x3](C[4x3]H[3]4HO)(H[3]C[4x3])4(OH)(H)	O(C[4x3]C[4x3]H[3]4H)(H)	H(C[4x3]C[4x3]H[3]4O)	92.8078	0.000	1	92.8078	0.000	1	92.8078	0.000	1	92.8078	0.000	1	92.8078	0.000	1	92.8078	0.000	1
238	893	968	0:SPD7_SP-NON_SP3	C[4x3]	O	H[3]	7:2:2:2:2:2:1:	7:1:	7:7:	C[4x3]-7:H[3]-2:H[3]-2:H[3]-2:H[3]-2:O-2:H-1:	C[4x3]-7:H-1:	C[4x3]-7:C[4x3]-7:	C[4x3](C[4x3]H[3]4HO)(H[3]C[4x3])4(OH)(H)	O(C[4x3]C[4x3]H[3]4H)(H)	H[3](C[4x3]C[4x3]H[3]3HO)2	C[4x3](C[4x3]H[3]4HO)(H[3]C[4x3])4(OH)(H)	O(C[4x3]C[4x3]H[3]4H)(H)	H[3](C[4x3]C[4x3]H[3]3HO)2	118.4265	6.295	4	118.4265	39.633	4	118.4265	39.633	4	118.4265	39.633	4	118.4265	39.633	4	118.4265	39.633	4
238	898	902	0:SPD7_SP1_SP2	C[3x3,4]	C[4]	C[3,3]	6:4:5:3:4:4:2:	7:2:	7:6:5:	C[3x3]-6:C[3x3]-4:C[3,3]-5:C[3,3]-3:C[6]-4:C[4]-4:C[4]-2:	C[3x3,4]-7:H[4]-2:	C[3x3,4]-7:C[3x3]-6:C[3]-5:	C[3x3,4](C[3x3]C[3,3]C[3x3]C[3]HH)(C[3x3]C[3,3]C[3x3]H[3])(C[3,3]C[3x3]H[3]HH)(C[3,3]C[3x3]C[3])(C[6]C[3,6]2H)(C[4]H[4]HH)(C[4]H[4])	C[4](C[3x3,4]C[3,3]2C[3x3]2C[4]C[6])(H[4]C[4])	C[3,3](C[3x3,4]C[3,3]C[3x3]2C[4]2C[6])(C[3x3]C[3x3,4]C[3x3]C[3]HH)(C[3]C[3x3]CHH)	C[3x3,4](C[3x3]C[3,3]C[3x3]C[3]HH)(C[3x3]C[3,3]C[3x3]H[3])(C[3,3]C[3x3]H[3]HH)(C[3,3]C[3x3]C[3])(C[6]C[3,6]2H)(C[4]H[4]HH)(C[4]H[4]){2|O<2>,3|H<1>,4|C<4>}	C[4](C[3x3,4]C[3,3]2C[3x3]2C[4]C[6])(H[4]C[4]){1|C<5>,1|H<2>,2|C<4>,7|H<1>}	C[3,3](C[3x3,4]C[3,3]C[3x3]2C[4]2C[6])(C[3x3]C[3x3,4]C[3x3]C[3]HH)(C[3]C[3x3]CHH){2|C<4>,2|H<2>,5|H<1>}	100.8620	0.000	1	100.8620	0.000	1	100.8620	0.000	1	100.8620	0.000	1	100.8620	0.000	1	100.8620	0.000	1
238	912	912	3:SPD7_SP-NON_SP-NON	C[4x3]	F[3,3]	F[3,3]	3:3:3:2:2:2:2:	7:3:2:	7:3:2:	F[3,3]-3:F[3,3]-3:C[6a]-3:F[3]-2:F[3]-2:F[3]-2:F[3]-2:	C[4x3]-7:F[3,3]-3:F[3]-2:	C[4x3]-7:F[3,3]-3:F[3]-2:	C[4x3](F[3,3]F[3,3]F[3])2(C[6a]C[6a]2)(F[3]F[3,3])2(F[3]F[3])2	F[3,3](C[4x3]F[3,3]C[6a]F[3]4)(F[3,3]C[4x3]F[3])(F[3]C[4x3])	F[3,3](C[4x3]F[3,3]C[6a]F[3]4)(F[3,3]C[4x3]F[3])(F[3]C[4x3])	C[4x3](F[3,3]F[3,3]F[3])2(C[6a]C[6a]2)(F[3]F[3,3])2(F[3]F[3])2{2|C<3>,2|H<1>}	F[3,3](C[4x3]F[3,3]C[6a]F[3]4)(F[3,3]C[4x3]F[3])(F[3]C[4x3]){2|C<3>}	F[3,3](C[4x3]F[3,3]C[6a]F[3]4)(F[3,3]C[4x3]F[3])(F[3]C[4x3]){2|C<3>}	57.8809	0.000	1	57.8809	0.000	1	57.8809	0.000	1	57.8809	0.000	1	57.8809	0.000	1	57.8809	0.000	1
238	920	951	0:SPD7_SP-NON_SP3	C[6x3,4,4]	O[4x3,4,4]	H	6:5:4:4:3:2:1:	6:5:7:4:	7:	C[4x3,4,4,5]-6:C[4x3,4,4,5]-5:C[3,4x4,5]-4:O[4x3,4,4]-4:H[3,3]-3:H[3]-2:H-1:	C[4x3,4,4,5]-6:C[4x3,4,4,5]-5:C[6x3,4,4]-7:C[3,4x4,5]-4:	C[6x3,4,4]-7:	C[6x3,4,4](C[4x3,4,4,5]C[4x3,4,4,5]H[3,4,4,5]O[4x3,4,4]H[3]H)(C[4x3,4,4,5]C[4x3,4,4,5]O[4x3,4,4]C[4,4,5]H[3,3])(C[3,4x4,5]H[3,4,4,5]O[4x3,4,4]C[4,4,5])(O[4x3,4,4]C[4x3,4,4,5]2C[3,4x4,5])(H[3,3]C[4x3,4,4,5]H[3])(H[3]H[3,3])(H)	O[4x3,4,4](C[4x3,4,4,5]C[4x3,4,4,5]C[6x3,4,4]H[3,4,4,5]H[3]H)(C[4x3,4,4,5]C[4x3,4,4,5]C[6x3,4,4]C[4,4,5]H[3,3])(C[6x3,4,4]C[4x3,4,4,5]2C[3,4x4,5]H[3,3]H[3]H)(C[3,4x4,5]C[6x3,4,4]H[3,4,4,5]C[4,4,5])	H(C[6x3,4,4]C[4x3,4,4,5]2C[3,4x4,5]O[4x3,4,4]H[3,3]H[3])	C[6x3,4,4](C[4x3,4,4,5]C[4x3,4,4,5]H[3,4,4,5]O[4x3,4,4]H[3]H)(C[4x3,4,4,5]C[4x3,4,4,5]O[4x3,4,4]C[4,4,5]H[3,3])(C[3,4x4,5]H[3,4,4,5]O[4x3,4,4]C[4,4,5])(O[4x3,4,4]C[4x3,4,4,5]2C[3,4x4,5])(H[3,3]C[4x3,4,4,5]H[3])(H[3]H[3,3])(H){1|O<2>,2|H<1>}	O[4x3,4,4](C[4x3,4,4,5]C[4x3,4,4,5]C[6x3,4,4]H[3,4,4,5]H[3]H)(C[4x3,4,4,5]C[4x3,4,4,5]C[6x3,4,4]C[4,4,5]H[3,3])(C[6x3,4,4]C[4x3,4,4,5]2C[3,4x4,5]H[3,3]H[3]H)(C[3,4x4,5]C[6x3,4,4]H[3,4,4,5]C[4,4,5]){1|O<2>,2|H<1>}	H(C[6x3,4,4]C[4x3,4,4,5]2C[3,4x4,5]O[4x3,4,4]H[3,3]H[3])	123.1070	0.000	1	123.1070	0.000	1	123.1070	0.000	1	123.1070	0.000	1	123.1070	0.000	1	123.1070	0.000	1
238	920	968	0:SPD7_SP-NON_SP3	C[6x3,4,4]	O[4x3,4,4]	H[3]	6:5:4:4:3:2:1:	6:5:7:4:	7:3:	C[4x3,4,4,5]-6:C[4x3,4,4,5]-5:C[3,4x4,5]-4:O[4x3,4,4]-4:H[3,3]-3:H[3]-2:H-1:	C[4x3,4,4,5]-6:C[4x3,4,4,5]-5:C[6x3,4,4]-7:C[3,4x4,5]-4:	C[6x3,4,4]-7:H[3,3]-3:	C[6x3,4,4](C[4x3,4,4,5]C[4x3,4,4,5]H[3,4,4,5]O[4x3,4,4]H[3]H)(C[4x3,4,4,5]C[4x3,4,4,5]O[4x3,4,4]C[4,4,5]H[3,3])(C[3,4x4,5]H[3,4,4,5]O[4x3,4,4]C[4,4,5])(O[4x3,4,4]C[4x3,4,4,5]2C[3,4x4,5])(H[3,3]C[4x3,4,4,5]H[3])(H[3]H[3,3])(H)	O[4x3,4,4](C[4x3,4,4,5]C[4x3,4,4,5]C[6x3,4,4]H[3,4,4,5]H[3]H)(C[4x3,4,4,5]C[4x3,4,4,5]C[6x3,4,4]C[4,4,5]H[3,3])(C[6x3,4,4]C[4x3,4,4,5]2C[3,4x4,5]H[3,3]H[3]H)(C[3,4x4,5]C[6x3,4,4]H[3,4,4,5]C[4,4,5])	H[3](C[6x3,4,4]C[4x3,4,4,5]2C[3,4x4,5]O[4x3,4,4]H[3,3]H)(H[3,3]C[4x3,4,4,5]C[6x3,4,4])	C[6x3,4,4](C[4x3,4,4,5]C[4x3,4,4,5]H[3,4,4,5]O[4x3,4,4]H[3]H)(C[4x3,4,4,5]C[4x3,4,4,5]O[4x3,4,4]C[4,4,5]H[3,3])(C[3,4x4,5]H[3,4,4,5]O[4x3,4,4]C[4,4,5])(O[4x3,4,4]C[4x3,4,4,5]2C[3,4x4,5])(H[3,3]C[4x3,4,4,5]H[3])(H[3]H[3,3])(H){1|O<2>,2|H<1>}	O[4x3,4,4](C[4x3,4,4,5]C[4x3,4,4,5]C[6x3,4,4]H[3,4,4,5]H[3]H)(C[4x3,4,4,5]C[4x3,4,4,5]C[6x3,4,4]C[4,4,5]H[3,3])(C[6x3,4,4]C[4x3,4,4,5]2C[3,4x4,5]H[3,3]H[3]H)(C[3,4x4,5]C[6x3,4,4]H[3,4,4,5]C[4,4,5]){1|O<2>,2|H<1>}	H[3](C[6x3,4,4]C[4x3,4,4,5]2C[3,4x4,5]O[4x3,4,4]H[3,3]H)(H[3,3]C[4x3,4,4,5]C[6x3,4,4])	121.5890	0.000	1	121.5890	0.000	1	121.5890	0.000	1	121.5890	0.000	1	121.5890	0.000	1	121.5890	0.000	1
238	951	951	0:SPD7_SP-NON_SP-NON	C[3]	H	H	2:2:3:1:1:1:1:	7:	7:	H[3]-2:H[3]-2:N-3:H-1:H-1:H-1:H-1:	C[3]-7:	C[3]-7:	C[3](H[3]H[3])2(NC[6a]C)(H)4	H(C[3]H[3]2H3N)	H(C[3]H[3]2H3N)	C[3](H[3]H[3])2(NC[6a]C)(H)4	H(C[3]H[3]2H3N)	H(C[3]H[3]2H3N)	93.2063	38.462	5	93.2063	1479.346	5	93.2063	1479.346	5	93.2063	1479.346	5	90.3396	1421.656	23	96.2325	991.486	38
238	951	951	0:SPD7_SP-NON_SP-NON	C[3]	H	H	3:2:2:1:1:1:1:	7:	7:	C[6a]-3:H[3]-2:H[3]-2:H-1:H-1:H-1:H-1:	C[3]-7:	C[3]-7:	C[3](C[6a]C[6a]N[6a])(H[3]H[3])2(H)4	H(C[3]C[6a]H[3]2H3)	H(C[3]C[6a]H[3]2H3)	C[3](C[6a]C[6a]N[6a])(H[3]H[3])2(H)4{1|H<1>,2|C<3>}	H(C[3]C[6a]H[3]2H3)	H(C[3]C[6a]H[3]2H3)	85.7300	36.084	6	85.7300	1302.075	6	85.7300	1302.075	6	89.5433	1488.621	18	90.3396	1421.656	23	96.2325	991.486	38
238	951	951	0:SPD7_SP-NON_SP-NON	C[3]	H	H	3:2:2:1:1:1:1:	7:	7:	N-3:H[3]-2:H[3]-2:H-1:H-1:H-1:H-1:	C[3]-7:	C[3]-7:	C[3](NC[6a]C[3])(H[3]H[3])2(H)4	H(C[3]H[3]2H3N)	H(C[3]H[3]2H3N)	C[3](NC[6a]C[3])(H[3]H[3])2(H)4	H(C[3]H[3]2H3N)	H(C[3]H[3]2H3N)	91.4499	41.193	12	91.4499	1696.846	12	91.4499	1696.846	12	89.5433	1488.621	18	90.3396	1421.656	23	96.2325	991.486	38
238	951	951	0:SPD7_SP-NON_SP-NON	C[3x3,6]	H	H	7:7:6:2:1:1:1:	7:	7:	C[6x3]-7:C[4x3,6]-7:C[4x3,6]-6:H[3]-2:H-1:H-1:H-1:	C[3x3,6]-7:	C[3x3,6]-7:	C[3x3,6](C[6x3]C[3x3,6]C[4x3,6]3C[5x3,6]C[6a])(C[4x3,6]C[4x3,6]C[6x3]H[3]2HH)(C[4x3,6]C[5x3,6]C[6x3]H[3]2H)(H[3]C[4x3,6])(H)3	H(C[3x3,6]C[4x3,6]2C[6x3]H[3]HH)	H(C[3x3,6]C[4x3,6]2C[6x3]H[3]HH)	C[3x3,6](C[6x3]C[3x3,6]C[4x3,6]3C[5x3,6]C[6a])(C[4x3,6]C[4x3,6]C[6x3]H[3]2HH)(C[4x3,6]C[5x3,6]C[6x3]H[3]2H)(H[3]C[4x3,6])(H)3{1|H<2>,1|H<3>,2|C<3>,6|H<1>}	H(C[3x3,6]C[4x3,6]2C[6x3]H[3]HH)	H(C[3x3,6]C[4x3,6]2C[6x3]H[3]HH)	108.5103	0.651	3	108.5103	0.424	3	108.5103	0.424	3	108.5103	0.424	3	108.8393	0.307	6	96.2325	991.486	38
238	951	951	0:SPD7_SP-NON_SP-NON	C[3x3,6]	H	H	7:7:7:2:1:1:1:	7:	7:	N[6x3]-7:C[5x3,6]-7:C[4x3,6]-7:H[3]-2:H-1:H-1:H-1:	C[3x3,6]-7:	C[3x3,6]-7:	C[3x3,6](N[6x3]C[3,3,4,6]C[4x3,4,6]C[4x3,6]2C[5x3,6]Ru)(C[5x3,6]C[4x3,4,6]N[6x3]H[3]3H)(C[4x3,6]C[4x3,6]N[6x3]H[3]2HH)(H[3]C[5x3,6])(H)3	H(C[3x3,6]C[4x3,6]C[5x3,6]N[6x3]H[3]HH)	H(C[3x3,6]C[4x3,6]C[5x3,6]N[6x3]H[3]HH)	C[3x3,6](N[6x3]C[3,3,4,6]C[4x3,4,6]C[4x3,6]2C[5x3,6]Ru)(C[5x3,6]C[4x3,4,6]N[6x3]H[3]3H)(C[4x3,6]C[4x3,6]N[6x3]H[3]2HH)(H[3]C[5x3,6])(H)3{2|H<2>,5|H<1>}	H(C[3x3,6]C[4x3,6]C[5x3,6]N[6x3]H[3]HH)	H(C[3x3,6]C[4x3,6]C[5x3,6]N[6x3]H[3]HH)	109.1683	0.139	3	109.1683	0.019	3	109.1683	0.019	3	109.1683	0.019	3	108.8393	0.307	6	96.2325	991.486	38
238	951	951	0:SPD7_SP-NON_SP-NON	C[3x3]	H	H	7:7:3:2:2:1:1:	7:	7:	C[4x3]-7:C[4x3]-7:C[6a]-3:H[3]-2:H[3]-2:H-1:H-1:	C[3x3]-7:	C[3x3]-7:	C[3x3](C[4x3]C[4x3]H[3]3HH)2(C[6a]C[6a]2)(H[3]C[4x3])2(H)2	H(C[3x3]C[4x3]2C[6a]H[3]2H)	H(C[3x3]C[4x3]2C[6a]H[3]2H)	C[3x3](C[4x3]C[4x3]H[3]3HH)2(C[6a]C[6a]2)(H[3]C[4x3])2(H)2{1|H<1>,3|C<3>}	H(C[3x3]C[4x3]2C[6a]H[3]2H)	H(C[3x3]C[4x3]2C[6a]H[3]2H)	49.1379	0.000	1	49.1379	0.000	1	49.1379	0.000	1	49.1379	0.000	1	49.1379	0.000	1	96.2325	991.486	38
238	951	951	0:SPD7_SP-NON_SP-NON	C[4x3,6]	H	H	7:6:7:2:2:1:1:	7:	7:	C[6x3]-7:C[3x3,6]-6:C[4x3,6]-7:H[3]-2:H[3]-2:H-1:H-1:	C[4x3,6]-7:	C[4x3,6]-7:	C[4x3,6](C[6x3]C[3x3,6]2C[4x3,6]2C[5x3,6]C[6a])(C[3x3,6]C[5x3,6]C[6x3]H[3,3]HH)(C[4x3,6]C[3x3,6]C[6x3]H[3]2HH)(H[3]C[4x3,6])2(H)2	H(C[4x3,6]C[3x3,6]C[4x3,6]C[6x3]H[3]2H)	H(C[4x3,6]C[3x3,6]C[4x3,6]C[6x3]H[3]2H)	C[4x3,6](C[6x3]C[3x3,6]2C[4x3,6]2C[5x3,6]C[6a])(C[3x3,6]C[5x3,6]C[6x3]H[3,3]HH)(C[4x3,6]C[3x3,6]C[6x3]H[3]2HH)(H[3]C[4x3,6])2(H)2{2|C<3>,3|H<2>,6|H<1>}	H(C[4x3,6]C[3x3,6]C[4x3,6]C[6x3]H[3]2H)	H(C[4x3,6]C[3x3,6]C[4x3,6]C[6x3]H[3]2H)	108.5690	0.000	1	108.5690	0.000	1	108.5690	0.000	1	108.9310	0.262	2	109.1080	0.225	3	96.2325	991.486	38
238	951	951	0:SPD7_SP-NON_SP-NON	C[4x3,6]	H	H	7:6:7:2:2:1:1:	7:	7:	N[6x3]-7:C[3,3,4,6]-6:C[4x3,6]-7:H[3]-2:H[3]-2:H-1:H-1:	C[4x3,6]-7:	C[4x3,6]-7:	C[4x3,6](N[6x3]C[3,3,4,6]C[4x3,4,6]C[3x3,6]C[4x3,6]C[5x3,6]Ru)(C[3,3,4,6]C[4x3,4,6]N[6x3]H[4]HH)(C[4x3,6]C[3x3,6]N[6x3]H[3]2HH)(H[3]C[4x3,6])2(H)2	H(C[4x3,6]C[3,3,4,6]C[4x3,6]N[6x3]H[3]2H)	H(C[4x3,6]C[3,3,4,6]C[4x3,6]N[6x3]H[3]2H)	C[4x3,6](N[6x3]C[3,3,4,6]C[4x3,4,6]C[3x3,6]C[4x3,6]C[5x3,6]Ru)(C[3,3,4,6]C[4x3,4,6]N[6x3]H[4]HH)(C[4x3,6]C[3x3,6]N[6x3]H[3]2HH)(H[3]C[4x3,6])2(H)2{4|H<2>,5|H<1>}	H(C[4x3,6]C[3,3,4,6]C[4x3,6]N[6x3]H[3]2H)	H(C[4x3,6]C[3,3,4,6]C[4x3,6]N[6x3]H[3]2H)	109.2930	0.000	1	109.2930	0.000	1	109.2930	0.000	1	108.9310	0.262	2	109.1080	0.225	3	96.2325	991.486	38
238	951	951	0:SPD7_SP-NON_SP-NON	C[4x3,6]	H	H	7:7:7:2:2:1:1:	7:	7:	C[6x3]-7:C[4x3,6]-7:C[3x3,6]-7:H[3]-2:H[3]-2:H-1:H-1:	C[4x3,6]-7:	C[4x3,6]-7:	C[4x3,6](C[6x3]C[3x3,6]2C[4x3,6]2C[5x3,6]C[6a])(C[4x3,6]C[3x3,6]C[6x3]H[3]2HH)(C[3x3,6]C[4x3,6]C[6x3]H[3]H3)(H[3]C[4x3,6])2(H)2	H(C[4x3,6]C[3x3,6]C[4x3,6]C[6x3]H[3]2H)	H(C[4x3,6]C[3x3,6]C[4x3,6]C[6x3]H[3]2H)	C[4x3,6](C[6x3]C[3x3,6]2C[4x3,6]2C[5x3,6]C[6a])(C[4x3,6]C[3x3,6]C[6x3]H[3]2HH)(C[3x3,6]C[4x3,6]C[6x3]H[3]H3)(H[3]C[4x3,6])2(H)2{1|H<3>,2|C<3>,2|H<2>,5|H<1>}	H(C[4x3,6]C[3x3,6]C[4x3,6]C[6x3]H[3]2H)	H(C[4x3,6]C[3x3,6]C[4x3,6]C[6x3]H[3]2H)	109.4620	0.000	1	109.4620	0.000	1	109.4620	0.000	1	109.4620	0.000	1	109.1080	0.225	3	96.2325	991.486	38
238	951	951	0:SPD7_SP-NON_SP-NON	C[4x3]	H	H	6:5:5:3:2:1:1:	7:	7:	C[3x3]-6:C[3,3]-5:N[3x3]-5:H[3,3]-3:H[3]-2:H-1:H-1:	C[4x3]-7:	C[4x3]-7:	C[4x3](C[3x3]C[3x3]H[3,3]N[3x3]HH)(C[3,3]H[3,3]N[3x3]HH)(N[3x3]C[3,3]C[3x3]2C)(H[3,3]C[3,3]H[3])(H[3]H[3,3])(H)2	H(C[4x3]C[3,3]C[3x3]H[3,3]N[3x3]H[3]H)	H(C[4x3]C[3,3]C[3x3]H[3,3]N[3x3]H[3]H)	C[4x3](C[3x3]C[3x3]H[3,3]N[3x3]HH)(C[3,3]H[3,3]N[3x3]HH)(N[3x3]C[3,3]C[3x3]2C)(H[3,3]C[3,3]H[3])(H[3]H[3,3])(H)2{1|H<2>,2|H<1>}	H(C[4x3]C[3,3]C[3x3]H[3,3]N[3x3]H[3]H)	H(C[4x3]C[3,3]C[3x3]H[3,3]N[3x3]H[3]H)	109.3710	0.000	1	109.3710	0.000	1	109.3710	0.000	1	109.3710	0.000	1	109.9052	1.074	5	96.2325	991.486	38
238	951	951	0:SPD7_SP-NON_SP-NON	C[4x3]	H	H	7:7:2:2:2:1:1:	7:	7:	C[3x3]-7:C[4x3]-7:H[3]-2:H[3]-2:H[3]-2:H-1:H-1:	C[4x3]-7:	C[4x3]-7:	C[4x3](C[3x3]C[4x3]C[6a]H[3]2HH)(C[4x3]C[3x3]H[3]3HH)(H[3]C[3x3])(H[3]C[4x3])2(H)2	H(C[4x3]C[3x3]C[4x3]H[3]3H)	H(C[4x3]C[3x3]C[4x3]H[3]3H)	C[4x3](C[3x3]C[4x3]C[6a]H[3]2HH)(C[4x3]C[3x3]H[3]3HH)(H[3]C[3x3])(H[3]C[4x3])2(H)2{2|C<3>}	H(C[4x3]C[3x3]C[4x3]H[3]3H)	H(C[4x3]C[3x3]C[4x3]H[3]3H)	110.6345	1.585	2	110.6345	2.511	2	110.6345	2.511	2	110.6345	2.511	2	109.9052	1.074	5	96.2325	991.486	38
238	951	951	0:SPD7_SP-NON_SP-NON	C[4x3]	H	H	7:7:6:2:2:1:1:	7:	7:	C[3x3,3x4]-7:C[4x3]-7:C[3x3]-6:H[3]-2:H[3]-2:H-1:H-1:	C[4x3]-7:	C[4x3]-7:	C[4x3](C[3x3,3x4]C[3,6x4]C[3x3]2C[4x3]C[6x4]C[6a])(C[4x3]C[3x3,3x4]C[3x3]H[3]2HH)(C[3x3]C[3x3,3x4]H[3]2HH)(H[3]C[3x3])2(H)2	H(C[4x3]C[3x3,3x4]C[3x3]C[4x3]H[3]2H)	H(C[4x3]C[3x3,3x4]C[3x3]C[4x3]H[3]2H)	C[4x3](C[3x3,3x4]C[3,6x4]C[3x3]2C[4x3]C[6x4]C[6a])(C[4x3]C[3x3,3x4]C[3x3]H[3]2HH)(C[3x3]C[3x3,3x4]H[3]2HH)(H[3]C[3x3])2(H)2{1|H<3>,2|C<3>,3|H<2>,4|H<1>}	H(C[4x3]C[3x3,3x4]C[3x3]C[4x3]H[3]2H)	H(C[4x3]C[3x3,3x4]C[3x3]C[4x3]H[3]2H)	109.4430	0.093	2	109.4430	0.009	2	109.4430	0.009	2	109.4430	0.009	2	109.9052	1.074	5	96.2325	991.486	38
238	951	956	0:SPD7_SP-NON_SP2	C[3]	H	N	2:2:3:1:1:1:1:	7:	7:3:5:	H[3]-2:H[3]-2:N-3:H-1:H-1:H-1:H-1:	C[3]-7:	C[3]-7:C[6a]-3:C-5:	C[3](H[3]H[3])2(NC[6a]C)(H)4	H(C[3]H[3]2H3N)	N(C[3]H[3]2H4)(C[6a]C[6a]2)(CH4)	C[3](H[3]H[3])2(NC[6a]C)(H)4	H(C[3]H[3]2H3N)	N(C[3]H[3]2H4)(C[6a]C[6a]2)(CH4)	108.1345	5.354	4	108.1345	28.660	4	108.1345	28.660	4	108.1345	28.660	4	108.2981	64.433	12	108.2981	64.433	12
238	951	956	0:SPD7_SP-NON_SP2	C[3]	H	N	3:2:2:1:1:1:1:	7:	7:7:3:	N-3:H[3]-2:H[3]-2:H-1:H-1:H-1:H-1:	C[3]-7:	C[3]-7:C[3]-7:C[6a]-3:	C[3](NC[6a]C[3])(H[3]H[3])2(H)4	H(C[3]H[3]2H3N)	N(C[3]H[3]2H4)2(C[6a]C[6a]2)	C[3](NC[6a]C[3])(H[3]H[3])2(H)4	H(C[3]H[3]2H3N)	N(C[3]H[3]2H4)2(C[6a]C[6a]2)	108.3799	9.431	8	108.3799	88.945	8	108.3799	88.945	8	108.3799	88.945	8	108.2981	64.433	12	108.2981	64.433	12
238	951	968	0:SPD7_SP-NON_SP-NON	C[3]	H	H[3]	2:2:3:1:1:1:1:	7:	7:2:	H[3]-2:H[3]-2:N-3:H-1:H-1:H-1:H-1:	C[3]-7:	C[3]-7:H[3]-2:	C[3](H[3]H[3])2(NC[6a]C)(H)4	H(C[3]H[3]2H3N)	H[3](C[3]H[3]H4N)(H[3]C[3])	C[3](H[3]H[3])2(NC[6a]C)(H)4	H(C[3]H[3]2H3N)	H[3](C[3]H[3]H4N)(H[3]C[3])	105.4181	29.676	8	105.4181	880.670	8	105.4181	880.670	8	105.4181	880.670	8	104.5794	644.456	32	104.4039	542.490	92
238	951	968	0:SPD7_SP-NON_SP-NON	C[3]	H	H[3]	3:2:2:1:1:1:1:	7:	7:2:	C[6a]-3:H[3]-2:H[3]-2:H-1:H-1:H-1:H-1:	C[3]-7:	C[3]-7:H[3]-2:	C[3](C[6a]C[6a]N[6a])(H[3]H[3])2(H)4	H(C[3]C[6a]H[3]2H3)	H[3](C[3]C[6a]H[3]H4)(H[3]C[3])	C[3](C[6a]C[6a]N[6a])(H[3]H[3])2(H)4{1|H<1>,2|C<3>}	H(C[3]C[6a]H[3]2H3)	H[3](C[3]C[6a]H[3]H4)(H[3]C[3])	104.2957	30.148	8	104.2957	908.928	8	104.2957	908.928	8	104.2999	600.258	24	104.5794	644.456	32	104.4039	542.490	92
238	951	968	0:SPD7_SP-NON_SP-NON	C[3]	H	H[3]	3:2:2:1:1:1:1:	7:	7:2:	N-3:H[3]-2:H[3]-2:H-1:H-1:H-1:H-1:	C[3]-7:	C[3]-7:H[3]-2:	C[3](NC[6a]C[3])(H[3]H[3])2(H)4	H(C[3]H[3]2H3N)	H[3](C[3]H[3]H4N)(H[3]C[3])	C[3](NC[6a]C[3])(H[3]H[3])2(H)4	H(C[3]H[3]2H3N)	H[3](C[3]H[3]H4N)(H[3]C[3])	104.3020	22.276	16	104.3020	496.230	16	104.3020	496.230	16	104.2999	600.258	24	104.5794	644.456	32	104.4039	542.490	92
238	951	968	0:SPD7_SP-NON_SP-NON	C[3x3,3x4,5,5]	H	H[3]	6:6:5:6:2:2:1:	7:	7:6:	C[3,3x4,4x5]-6:C[3x3,4,5,5]-6:C[4x4,5,5]-5:C[4,5,5]-6:H[3]-2:H[3]-2:H-1:	C[3x3,3x4,5,5]-7:	C[3x3,3x4,5,5]-7:C[3x3,4,5,5]-6:	C[3x3,3x4,5,5](C[3,3x4,4x5]C[3x3,4,5,5]C[4,5,5]H[4,4,5]2H)(C[3x3,4,5,5]C[3,3x4,4x5]S[4,5,5]H[3]2H)(C[4x4,5,5]H[4,4,5]2S[4,5,5]H)(C[4,5,5]H[4,5]2H3)(H[3]C[3x3,4,5,5])2(H)	H(C[3x3,3x4,5,5]C[3,3x4,4x5]C[3x3,4,5,5]C[4x4,5,5]C[4,5,5]H[3]2)	H[3](C[3x3,3x4,5,5]C[3,3x4,4x5]C[3x3,4,5,5]C[4x4,5,5]C[4,5,5]H[3]H)(C[3x3,4,5,5]C[3x3,3x4,5,5]C[3,3x4,4x5]S[4,5,5]H[3]H)	C[3x3,3x4,5,5](C[3,3x4,4x5]C[3x3,4,5,5]C[4,5,5]H[4,4,5]2H)(C[3x3,4,5,5]C[3,3x4,4x5]S[4,5,5]H[3]2H)(C[4x4,5,5]H[4,4,5]2S[4,5,5]H)(C[4,5,5]H[4,5]2H3)(H[3]C[3x3,4,5,5])2(H){1|C<4>,1|H<1>,2|O<1>}	H(C[3x3,3x4,5,5]C[3,3x4,4x5]C[3x3,4,5,5]C[4x4,5,5]C[4,5,5]H[3]2)	H[3](C[3x3,3x4,5,5]C[3,3x4,4x5]C[3x3,4,5,5]C[4x4,5,5]C[4,5,5]H[3]H)(C[3x3,4,5,5]C[3x3,3x4,5,5]C[3,3x4,4x5]S[4,5,5]H[3]H)	91.5471	0.000	1	91.5471	0.000	1	91.5471	0.000	1	91.5471	0.000	1	91.5471	0.000	1	104.4039	542.490	92
238	951	968	0:SPD7_SP-NON_SP-NON	C[3x3,3x4]	H	H[3]	5:5:5:2:2:2:1:	7:	7:5:	C[3,3,4,4]-5:C[4x3]-5:C[4,4]-5:H[4,4]-2:H[3]-2:H[3]-2:H-1:	C[3x3,3x4]-7:	C[3x3,3x4]-7:C[4x3]-5:	C[3x3,3x4](C[3,3,4,4]C[3x4]C[4x3]H[3]H)(C[4x3]C[3,3,4,4]H[3]3)(C[4,4]C[3x4]HHO)(H[4,4]C[3x4])(H[3]C[4x3])2(H)	H(C[3x3,3x4]C[3,3,4,4]C[4,4]C[4x3]H[4,4]H[3]2)	H[3](C[3x3,3x4]C[3,3,4,4]C[4,4]C[4x3]H[4,4]H[3]H)(C[4x3]C[3,3,4,4]C[3x3,3x4]H[3]2)	C[3x3,3x4](C[3,3,4,4]C[3x4]C[4x3]H[3]H)(C[4x3]C[3,3,4,4]H[3]3)(C[4,4]C[3x4]HHO)(H[4,4]C[3x4])(H[3]C[4x3])2(H)	H(C[3x3,3x4]C[3,3,4,4]C[4,4]C[4x3]H[4,4]H[3]2)	H[3](C[3x3,3x4]C[3,3,4,4]C[4,4]C[4x3]H[4,4]H[3]H)(C[4x3]C[3,3,4,4]C[3x3,3x4]H[3]2)	137.1980	42.469	2	137.1980	1803.602	2	137.1980	1803.602	2	137.1980	1803.602	2	137.1980	1803.602	2	104.4039	542.490	92
238	951	968	0:SPD7_SP-NON_SP-NON	C[3x3,6]	H	H[3]	7:7:6:2:1:1:1:	7:	6:7:	C[6x3]-7:C[4x3,6]-7:C[4x3,6]-6:H[3]-2:H-1:H-1:H-1:	C[3x3,6]-7:	C[4x3,6]-6:C[3x3,6]-7:	C[3x3,6](C[6x3]C[3x3,6]C[4x3,6]3C[5x3,6]C[6a])(C[4x3,6]C[4x3,6]C[6x3]H[3]2HH)(C[4x3,6]C[5x3,6]C[6x3]H[3]2H)(H[3]C[4x3,6])(H)3	H(C[3x3,6]C[4x3,6]2C[6x3]H[3]HH)	H[3](C[4x3,6]C[3x3,6]C[5x3,6]C[6x3]H[3]H)(C[3x3,6]C[4x3,6]2C[6x3]H3)	C[3x3,6](C[6x3]C[3x3,6]C[4x3,6]3C[5x3,6]C[6a])(C[4x3,6]C[4x3,6]C[6x3]H[3]2HH)(C[4x3,6]C[5x3,6]C[6x3]H[3]2H)(H[3]C[4x3,6])(H)3{1|H<2>,1|H<3>,2|C<3>,6|H<1>}	H(C[3x3,6]C[4x3,6]2C[6x3]H[3]HH)	H[3](C[4x3,6]C[3x3,6]C[5x3,6]C[6x3]H[3]H)(C[3x3,6]C[4x3,6]2C[6x3]H3)	84.0377	56.733	3	84.0377	3218.628	3	84.0377	3218.628	3	84.0377	3218.628	3	85.2564	2533.867	6	104.4039	542.490	92
238	951	968	0:SPD7_SP-NON_SP-NON	C[3x3,6]	H	H[3]	7:7:7:2:1:1:1:	7:	7:7:	N[6x3]-7:C[5x3,6]-7:C[4x3,6]-7:H[3]-2:H-1:H-1:H-1:	C[3x3,6]-7:	C[5x3,6]-7:C[3x3,6]-7:	C[3x3,6](N[6x3]C[3,3,4,6]C[4x3,4,6]C[4x3,6]2C[5x3,6]Ru)(C[5x3,6]C[4x3,4,6]N[6x3]H[3]3H)(C[4x3,6]C[4x3,6]N[6x3]H[3]2HH)(H[3]C[5x3,6])(H)3	H(C[3x3,6]C[4x3,6]C[5x3,6]N[6x3]H[3]HH)	H[3](C[5x3,6]C[4x3,4,6]C[3x3,6]N[6x3]H[3]2H)(C[3x3,6]C[4x3,6]C[5x3,6]N[6x3]H3)	C[3x3,6](N[6x3]C[3,3,4,6]C[4x3,4,6]C[4x3,6]2C[5x3,6]Ru)(C[5x3,6]C[4x3,4,6]N[6x3]H[3]3H)(C[4x3,6]C[4x3,6]N[6x3]H[3]2HH)(H[3]C[5x3,6])(H)3{2|H<2>,5|H<1>}	H(C[3x3,6]C[4x3,6]C[5x3,6]N[6x3]H[3]HH)	H[3](C[5x3,6]C[4x3,4,6]C[3x3,6]N[6x3]H[3]2H)(C[3x3,6]C[4x3,6]C[5x3,6]N[6x3]H3)	86.4751	55.782	3	86.4751	3111.583	3	86.4751	3111.583	3	86.4751	3111.583	3	85.2564	2533.867	6	104.4039	542.490	92
238	951	968	0:SPD7_SP-NON_SP-NON	C[3x3]	H	H[3]	7:7:3:2:2:1:1:	7:	7:7:	C[4x3]-7:C[4x3]-7:C[6a]-3:H[3]-2:H[3]-2:H-1:H-1:	C[3x3]-7:	C[4x3]-7:C[3x3]-7:	C[3x3](C[4x3]C[4x3]H[3]3HH)2(C[6a]C[6a]2)(H[3]C[4x3])2(H)2	H(C[3x3]C[4x3]2C[6a]H[3]2H)	H[3](C[4x3]C[3x3]C[4x3]H[3]2HH)(C[3x3]C[4x3]2C[6a]H[3]HH)	C[3x3](C[4x3]C[4x3]H[3]3HH)2(C[6a]C[6a]2)(H[3]C[4x3])2(H)2{1|H<1>,3|C<3>}	H(C[3x3]C[4x3]2C[6a]H[3]2H)	H[3](C[4x3]C[3x3]C[4x3]H[3]2HH)(C[3x3]C[4x3]2C[6a]H[3]HH)	82.2691	27.001	4	82.2691	729.028	4	82.2691	729.028	4	82.2691	729.028	4	82.2691	729.028	4	104.4039	542.490	92
238	951	968	0:SPD7_SP-NON_SP-NON	C[4x3,4,6]	H	H[3]	7:6:7:2:2:2:1:	7:	7:7:	N[6x3]-7:C[3,3,4,6]-6:C[5x3,6]-7:H[3]-2:H[3]-2:H[4]-2:H-1:	C[4x3,4,6]-7:	C[4x3,4,6]-7:C[5x3,6]-7:	C[4x3,4,6](N[6x3]C[3,3,4,6]C[3x3,6]C[4x3,6]2C[5x3,6]Ru)(C[3,3,4,6]C[4x3,6]N[6x3]H[4]HH)(C[5x3,6]C[3x3,6]N[6x3]H[3]3H)(H[3]C[5x3,6])2(H[4]H[4])(H)	H(C[4x3,4,6]C[3,3,4,6]C[5x3,6]N[6x3]H[3]2H[4])	H[3](C[4x3,4,6]C[3,3,4,6]C[5x3,6]N[6x3]H[3]H[4]H)(C[5x3,6]C[4x3,4,6]C[3x3,6]N[6x3]H[3]2H)	C[4x3,4,6](N[6x3]C[3,3,4,6]C[3x3,6]C[4x3,6]2C[5x3,6]Ru)(C[3,3,4,6]C[4x3,6]N[6x3]H[4]HH)(C[5x3,6]C[3x3,6]N[6x3]H[3]3H)(H[3]C[5x3,6])2(H[4]H[4])(H){2|H<2>,7|H<1>}	H(C[4x3,4,6]C[3,3,4,6]C[5x3,6]N[6x3]H[3]2H[4])	H[3](C[4x3,4,6]C[3,3,4,6]C[5x3,6]N[6x3]H[3]H[4]H)(C[5x3,6]C[4x3,4,6]C[3x3,6]N[6x3]H[3]2H)	111.0945	2.638	2	111.0945	6.960	2	111.0945	6.960	2	111.0945	6.960	2	110.5620	4.331	3	104.4039	542.490	92
238	951	968	0:SPD7_SP-NON_SP-NON	C[4x3,4,6]	H	H[3]	7:7:6:3:2:2:1:	7:	7:3:	C[6x3]-7:C[4x3,4,6]-7:C[3x3,4,6]-6:H[3,3]-3:H[3]-2:H[4]-2:H-1:	C[4x3,4,6]-7:	C[4x3,4,6]-7:H[3,3]-3:	C[4x3,4,6](C[6x3]C[3,3,4,4,6]2C[3x3,4,6]2C[4x3,4,6]C[6])(C[4x3,4,6]C[3x3,4,6]C[6x3]H[3,3]H[3]H[4]H)(C[3x3,4,6]C[3,3,4,4,6]C[6x3]H[3,3]H[4]H)(H[3,3]C[3x3,4,6]H[3])(H[3]H[3,3])(H[4]H[4])(H)	H(C[4x3,4,6]C[3x3,4,6]C[4x3,4,6]C[6x3]H[3,3]H[3]H[4])	H[3](C[4x3,4,6]C[3x3,4,6]C[4x3,4,6]C[6x3]H[3,3]H[4]H)(H[3,3]C[3x3,4,6]C[4x3,4,6])	C[4x3,4,6](C[6x3]C[3,3,4,4,6]2C[3x3,4,6]2C[4x3,4,6]C[6])(C[4x3,4,6]C[3x3,4,6]C[6x3]H[3,3]H[3]H[4]H)(C[3x3,4,6]C[3,3,4,4,6]C[6x3]H[3,3]H[4]H)(H[3,3]C[3x3,4,6]H[3])(H[3]H[3,3])(H[4]H[4])(H){2|C<3>,3|H<1>,5|H<2>}	H(C[4x3,4,6]C[3x3,4,6]C[4x3,4,6]C[6x3]H[3,3]H[3]H[4])	H[3](C[4x3,4,6]C[3x3,4,6]C[4x3,4,6]C[6x3]H[3,3]H[4]H)(H[3,3]C[3x3,4,6]C[4x3,4,6])	109.4970	0.000	1	109.4970	0.000	1	109.4970	0.000	1	109.4970	0.000	1	110.5620	4.331	3	104.4039	542.490	92
238	951	968	0:SPD7_SP-NON_SP-NON	C[4x3,6]	H	H[3]	7:6:7:2:2:1:1:	7:	7:7:	C[6x3]-7:C[3x3,6]-6:C[4x3,6]-7:H[3]-2:H[3]-2:H-1:H-1:	C[4x3,6]-7:	C[4x3,6]-7:C[4x3,6]-7:	C[4x3,6](C[6x3]C[3x3,6]2C[4x3,6]2C[5x3,6]C[6a])(C[3x3,6]C[5x3,6]C[6x3]H[3,3]HH)(C[4x3,6]C[3x3,6]C[6x3]H[3]2HH)(H[3]C[4x3,6])2(H)2	H(C[4x3,6]C[3x3,6]C[4x3,6]C[6x3]H[3]2H)	H[3](C[4x3,6]C[3x3,6]C[4x3,6]C[6x3]H[3]HH)2	C[4x3,6](C[6x3]C[3x3,6]2C[4x3,6]2C[5x3,6]C[6a])(C[3x3,6]C[5x3,6]C[6x3]H[3,3]HH)(C[4x3,6]C[3x3,6]C[6x3]H[3]2HH)(H[3]C[4x3,6])2(H)2{2|C<3>,3|H<2>,6|H<1>}	H(C[4x3,6]C[3x3,6]C[4x3,6]C[6x3]H[3]2H)	H[3](C[4x3,6]C[3x3,6]C[4x3,6]C[6x3]H[3]HH)2	106.9922	6.059	4	106.9922	36.710	4	106.9922	36.710	4	108.6750	33.464	8	107.6930	36.114	13	104.4039	542.490	92
238	951	968	0:SPD7_SP-NON_SP-NON	C[4x3,6]	H	H[3]	7:6:7:2:2:1:1:	7:	7:7:	N[6x3]-7:C[3,3,4,6]-6:C[4x3,6]-7:H[3]-2:H[3]-2:H-1:H-1:	C[4x3,6]-7:	C[4x3,6]-7:C[4x3,6]-7:	C[4x3,6](N[6x3]C[3,3,4,6]C[4x3,4,6]C[3x3,6]C[4x3,6]C[5x3,6]Ru)(C[3,3,4,6]C[4x3,4,6]N[6x3]H[4]HH)(C[4x3,6]C[3x3,6]N[6x3]H[3]2HH)(H[3]C[4x3,6])2(H)2	H(C[4x3,6]C[3,3,4,6]C[4x3,6]N[6x3]H[3]2H)	H[3](C[4x3,6]C[3,3,4,6]C[4x3,6]N[6x3]H[3]HH)(C[4x3,6]C[3x3,6]C[4x3,6]N[6x3]H[3]HH)	C[4x3,6](N[6x3]C[3,3,4,6]C[4x3,4,6]C[3x3,6]C[4x3,6]C[5x3,6]Ru)(C[3,3,4,6]C[4x3,4,6]N[6x3]H[4]HH)(C[4x3,6]C[3x3,6]N[6x3]H[3]2HH)(H[3]C[4x3,6])2(H)2{4|H<2>,5|H<1>}	H(C[4x3,6]C[3,3,4,6]C[4x3,6]N[6x3]H[3]2H)	H[3](C[4x3,6]C[3,3,4,6]C[4x3,6]N[6x3]H[3]HH)(C[4x3,6]C[3x3,6]C[4x3,6]N[6x3]H[3]HH)	110.3577	5.816	4	110.3577	33.823	4	110.3577	33.823	4	108.6750	33.464	8	107.6930	36.114	13	104.4039	542.490	92
238	951	968	0:SPD7_SP-NON_SP-NON	C[4x3,6]	H	H[3]	7:7:7:2:2:1:1:	7:	7:7:	C[6x3]-7:C[4x3,6]-7:C[3x3,6]-7:H[3]-2:H[3]-2:H-1:H-1:	C[4x3,6]-7:	C[4x3,6]-7:C[4x3,6]-7:	C[4x3,6](C[6x3]C[3x3,6]2C[4x3,6]2C[5x3,6]C[6a])(C[4x3,6]C[3x3,6]C[6x3]H[3]2HH)(C[3x3,6]C[4x3,6]C[6x3]H[3]H3)(H[3]C[4x3,6])2(H)2	H(C[4x3,6]C[3x3,6]C[4x3,6]C[6x3]H[3]2H)	H[3](C[4x3,6]C[3x3,6]C[4x3,6]C[6x3]H[3]HH)2	C[4x3,6](C[6x3]C[3x3,6]2C[4x3,6]2C[5x3,6]C[6a])(C[4x3,6]C[3x3,6]C[6x3]H[3]2HH)(C[3x3,6]C[4x3,6]C[6x3]H[3]H3)(H[3]C[4x3,6])2(H)2{1|H<3>,2|C<3>,2|H<2>,5|H<1>}	H(C[4x3,6]C[3x3,6]C[4x3,6]C[6x3]H[3]2H)	H[3](C[4x3,6]C[3x3,6]C[4x3,6]C[6x3]H[3]HH)2	105.3887	3.618	3	105.3887	13.088	3	105.3887	13.088	3	106.1219	44.766	5	107.6930	36.114	13	104.4039	542.490	92
238	951	968	0:SPD7_SP-NON_SP-NON	C[4x3,6]	H	H[3]	7:7:7:2:2:1:1:	7:	7:7:	N[6x3]-7:C[4x3,6]-7:C[3x3,6]-7:H[3]-2:H[3]-2:H-1:H-1:	C[4x3,6]-7:	C[4x3,6]-7:C[4x3,6]-7:	C[4x3,6](N[6x3]C[3,3,4,6]C[4x3,4,6]C[3x3,6]C[4x3,6]C[5x3,6]Ru)(C[4x3,6]C[3,3,4,6]N[6x3]H[3]2HH)(C[3x3,6]C[5x3,6]N[6x3]H[3]H3)(H[3]C[4x3,6])2(H)2	H(C[4x3,6]C[3x3,6]C[4x3,6]N[6x3]H[3]2H)	H[3](C[4x3,6]C[3,3,4,6]C[4x3,6]N[6x3]H[3]HH)(C[4x3,6]C[3x3,6]C[4x3,6]N[6x3]H[3]HH)	C[4x3,6](N[6x3]C[3,3,4,6]C[4x3,4,6]C[3x3,6]C[4x3,6]C[5x3,6]Ru)(C[4x3,6]C[3,3,4,6]N[6x3]H[3]2HH)(C[3x3,6]C[5x3,6]N[6x3]H[3]H3)(H[3]C[4x3,6])2(H)2{4|H<1>,4|H<2>}	H(C[4x3,6]C[3x3,6]C[4x3,6]N[6x3]H[3]2H)	H[3](C[4x3,6]C[3,3,4,6]C[4x3,6]N[6x3]H[3]HH)(C[4x3,6]C[3x3,6]C[4x3,6]N[6x3]H[3]HH)	107.2218	12.201	2	107.2218	148.857	2	107.2218	148.857	2	106.1219	44.766	5	107.6930	36.114	13	104.4039	542.490	92
238	951	968	0:SPD7_SP-NON_SP-NON	C[4x3]	H	H[3]	6:5:5:3:2:1:1:	7:	7:3:	C[3x3]-6:C[3,3]-5:N[3x3]-5:H[3,3]-3:H[3]-2:H-1:H-1:	C[4x3]-7:	C[4x3]-7:H[3,3]-3:	C[4x3](C[3x3]C[3x3]H[3,3]N[3x3]HH)(C[3,3]H[3,3]N[3x3]HH)(N[3x3]C[3,3]C[3x3]2C)(H[3,3]C[3,3]H[3])(H[3]H[3,3])(H)2	H(C[4x3]C[3,3]C[3x3]H[3,3]N[3x3]H[3]H)	H[3](C[4x3]C[3,3]C[3x3]H[3,3]N[3x3]HH)(H[3,3]C[3,3]C[4x3])	C[4x3](C[3x3]C[3x3]H[3,3]N[3x3]HH)(C[3,3]H[3,3]N[3x3]HH)(N[3x3]C[3,3]C[3x3]2C)(H[3,3]C[3,3]H[3])(H[3]H[3,3])(H)2{1|H<2>,2|H<1>}	H(C[4x3]C[3,3]C[3x3]H[3,3]N[3x3]H[3]H)	H[3](C[4x3]C[3,3]C[3x3]H[3,3]N[3x3]HH)(H[3,3]C[3,3]C[4x3])	109.5030	0.000	1	109.5030	0.000	1	109.5030	0.000	1	109.5030	0.000	1	107.3870	200.690	27	104.4039	542.490	92
238	951	968	0:SPD7_SP-NON_SP-NON	C[4x3]	H	H[3]	7:2:2:2:2:2:1:	7:	7:7:	C[4x3]-7:H[3]-2:H[3]-2:H[3]-2:H[3]-2:O-2:H-1:	C[4x3]-7:	C[4x3]-7:C[4x3]-7:	C[4x3](C[4x3]H[3]4HO)(H[3]C[4x3])4(OH)(H)	H(C[4x3]C[4x3]H[3]4O)	H[3](C[4x3]C[4x3]H[3]3HO)2	C[4x3](C[4x3]H[3]4HO)(H[3]C[4x3])4(OH)(H)	H(C[4x3]C[4x3]H[3]4O)	H[3](C[4x3]C[4x3]H[3]3HO)2	114.3448	1.301	4	114.3448	1.692	4	114.3448	1.692	4	114.3448	1.692	4	107.3870	200.690	27	104.4039	542.490	92
238	951	968	0:SPD7_SP-NON_SP-NON	C[4x3]	H	H[3]	7:7:2:2:2:1:1:	7:	7:7:	C[3x3]-7:C[4x3]-7:H[3]-2:H[3]-2:H[3]-2:H-1:H-1:	C[4x3]-7:	C[4x3]-7:C[3x3]-7:	C[4x3](C[3x3]C[4x3]C[6a]H[3]2HH)(C[4x3]C[3x3]H[3]3HH)(H[3]C[3x3])(H[3]C[4x3])2(H)2	H(C[4x3]C[3x3]C[4x3]H[3]3H)	H[3](C[4x3]C[3x3]C[4x3]H[3]2HH)(C[3x3]C[4x3]2C[6a]H[3]HH)	C[4x3](C[3x3]C[4x3]C[6a]H[3]2HH)(C[4x3]C[3x3]H[3]3HH)(H[3]C[3x3])(H[3]C[4x3])2(H)2{2|C<3>}	H(C[4x3]C[3x3]C[4x3]H[3]3H)	H[3](C[4x3]C[3x3]C[4x3]H[3]2HH)(C[3x3]C[4x3]2C[6a]H[3]HH)	82.5124	23.212	4	82.5124	538.816	4	82.5124	538.816	4	101.7439	378.786	12	107.3870	200.690	27	104.4039	542.490	92
238	951	968	0:SPD7_SP-NON_SP-NON	C[4x3]	H	H[3]	7:7:2:2:2:1:1:	7:	7:7:	C[3x3]-7:C[4x3]-7:H[3]-2:H[3]-2:H[3]-2:H-1:H-1:	C[4x3]-7:	C[4x3]-7:C[4x3]-7:	C[4x3](C[3x3]C[4x3]C[6a]H[3]2HH)(C[4x3]C[3x3]H[3]3HH)(H[3]C[3x3])(H[3]C[4x3])2(H)2	H(C[4x3]C[3x3]C[4x3]H[3]3H)	H[3](C[4x3]C[3x3]C[4x3]H[3]2HH)2	C[4x3](C[3x3]C[4x3]C[6a]H[3]2HH)(C[4x3]C[3x3]H[3]3HH)(H[3]C[3x3])(H[3]C[4x3])2(H)2{2|C<3>}	H(C[4x3]C[3x3]C[4x3]H[3]3H)	H[3](C[4x3]C[3x3]C[4x3]H[3]2HH)2	111.3597	6.877	8	111.3597	47.299	8	111.3597	47.299	8	101.7439	378.786	12	107.3870	200.690	27	104.4039	542.490	92
238	951	968	0:SPD7_SP-NON_SP-NON	C[4x3]	H	H[3]	7:7:6:2:2:1:1:	7:	7:6:	C[3x3,3x4]-7:C[4x3]-7:C[3x3]-6:H[3]-2:H[3]-2:H-1:H-1:	C[4x3]-7:	C[4x3]-7:C[3x3]-6:	C[4x3](C[3x3,3x4]C[3,6x4]C[3x3]2C[4x3]C[6x4]C[6a])(C[4x3]C[3x3,3x4]C[3x3]H[3]2HH)(C[3x3]C[3x3,3x4]H[3]2HH)(H[3]C[3x3])2(H)2	H(C[4x3]C[3x3,3x4]C[3x3]C[4x3]H[3]2H)	H[3](C[4x3]C[3x3,3x4]C[3x3]C[4x3]H[3]HH)(C[3x3]C[3x3,3x4]C[4x3]H[3]HH)	C[4x3](C[3x3,3x4]C[3,6x4]C[3x3]2C[4x3]C[6x4]C[6a])(C[4x3]C[3x3,3x4]C[3x3]H[3]2HH)(C[3x3]C[3x3,3x4]H[3]2HH)(H[3]C[3x3])2(H)2{1|H<3>,2|C<3>,3|H<2>,4|H<1>}	H(C[4x3]C[3x3,3x4]C[3x3]C[4x3]H[3]2H)	H[3](C[4x3]C[3x3,3x4]C[3x3]C[4x3]H[3]HH)(C[3x3]C[3x3,3x4]C[4x3]H[3]HH)	110.2578	6.174	6	110.2578	38.118	6	110.2578	38.118	6	110.2578	38.118	6	107.3870	200.690	27	104.4039	542.490	92
238	951	968	0:SPD7_SP-NON_SP-NON	C[4x3]	H	H[3]	7:7:7:2:2:1:1:	7:	7:7:	C[4x3,4,4]-7:C[3,3,3x4]-7:C[4x3]-7:H[3]-2:H[3]-2:H-1:H-1:	C[4x3]-7:	C[4x3]-7:C[4x3]-7:	C[4x3](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]C[5x3]C[6a])(C[3,3,3x4]C[4x3,4,4]H[3,4,4]H[4,4]H[3]HH)(C[4x3]C[4x3,4,4]C[5x3]H[3]2HH)(H[3]C[4x3])2(H)2	H(C[4x3]C[3,3,3x4]C[4x3,4,4]C[4x3]H[3]2H)	H[3](C[4x3]C[3,3,3x4]C[4x3,4,4]C[4x3]H[3]HH)(C[4x3]C[4x3,4,4]C[4x3]C[5x3]H[3]HH)	C[4x3](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]C[5x3]C[6a])(C[3,3,3x4]C[4x3,4,4]H[3,4,4]H[4,4]H[3]HH)(C[4x3]C[4x3,4,4]C[5x3]H[3]2HH)(H[3]C[4x3])2(H)2{1|H<3>,2|C<3>,2|H<2>,4|H<1>}	H(C[4x3]C[3,3,3x4]C[4x3,4,4]C[4x3]H[3]2H)	H[3](C[4x3]C[3,3,3x4]C[4x3,4,4]C[4x3]H[3]HH)(C[4x3]C[4x3,4,4]C[4x3]C[5x3]H[3]HH)	114.2060	0.923	2	114.2060	0.853	2	114.2060	0.853	2	114.2060	0.853	2	107.3870	200.690	27	104.4039	542.490	92
238	951	968	0:SPD7_SP-NON_SP-NON	C[4x3]	H	H[3]	7:8:7:2:2:1:1:	7:	7:7:	C[4x3,4,4]-7:C[5x3]-8:C[4x3]-7:H[3]-2:H[3]-2:H-1:H-1:	C[4x3]-7:	C[4x3]-7:C[4x3]-7:	C[4x3](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]C[5x3]C[6a])(C[5x3]C[4x3,4,4]C[3x3]H[3,3]H[3]2HH)(C[4x3]C[3,3,3x4]C[4x3,4,4]H[3]2HH)(H[3]C[4x3])2(H)2	H(C[4x3]C[4x3,4,4]C[4x3]C[5x3]H[3]2H)	H[3](C[4x3]C[3,3,3x4]C[4x3,4,4]C[4x3]H[3]HH)(C[4x3]C[4x3,4,4]C[4x3]C[5x3]H[3]HH)	C[4x3](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]C[5x3]C[6a])(C[5x3]C[4x3,4,4]C[3x3]H[3,3]H[3]2HH)(C[4x3]C[3,3,3x4]C[4x3,4,4]H[3]2HH)(H[3]C[4x3])2(H)2{1|H<3>,2|C<3>,2|H<2>,4|H<1>}	H(C[4x3]C[4x3,4,4]C[4x3]C[5x3]H[3]2H)	H[3](C[4x3]C[3,3,3x4]C[4x3,4,4]C[4x3]H[3]HH)(C[4x3]C[4x3,4,4]C[4x3]C[5x3]H[3]HH)	110.8400	10.403	2	110.8400	108.221	2	110.8400	108.221	2	110.8400	108.221	2	107.3870	200.690	27	104.4039	542.490	92
238	951	968	0:SPD7_SP-NON_SP-NON	C[5x3,6]	H	H[3]	7:7:7:2:2:2:1:	7:	7:7:	N[6x3]-7:C[4x3,4,6]-7:C[3x3,6]-7:H[3]-2:H[3]-2:H[3]-2:H-1:	C[5x3,6]-7:	C[4x3,4,6]-7:C[5x3,6]-7:	C[5x3,6](N[6x3]C[3,3,4,6]C[4x3,4,6]C[3x3,6]C[4x3,6]2Ru)(C[4x3,4,6]C[3,3,4,6]N[6x3]H[3]2H[4]H)(C[3x3,6]C[4x3,6]N[6x3]H[3]H3)(H[3]C[4x3,4,6])2(H[3]C[3x3,6])(H)	H(C[5x3,6]C[4x3,4,6]C[3x3,6]N[6x3]H[3]3)	H[3](C[4x3,4,6]C[3,3,4,6]C[5x3,6]N[6x3]H[3]H[4]H)(C[5x3,6]C[4x3,4,6]C[3x3,6]N[6x3]H[3]2H)	C[5x3,6](N[6x3]C[3,3,4,6]C[4x3,4,6]C[3x3,6]C[4x3,6]2Ru)(C[4x3,4,6]C[3,3,4,6]N[6x3]H[3]2H[4]H)(C[3x3,6]C[4x3,6]N[6x3]H[3]H3)(H[3]C[4x3,4,6])2(H[3]C[3x3,6])(H){3|H<2>,6|H<1>}	H(C[5x3,6]C[4x3,4,6]C[3x3,6]N[6x3]H[3]3)	H[3](C[4x3,4,6]C[3,3,4,6]C[5x3,6]N[6x3]H[3]H[4]H)(C[5x3,6]C[4x3,4,6]C[3x3,6]N[6x3]H[3]2H)	103.6840	8.403	2	103.6840	70.616	2	103.6840	70.616	2	105.6000	46.321	3	105.6000	46.321	3	104.4039	542.490	92
238	951	968	0:SPD7_SP-NON_SP-NON	C[5x3,6]	H	H[3]	7:7:7:2:2:2:1:	7:	7:7:	N[6x3]-7:C[4x3,4,6]-7:C[3x3,6]-7:H[3]-2:H[3]-2:H[3]-2:H-1:	C[5x3,6]-7:	C[5x3,6]-7:C[3x3,6]-7:	C[5x3,6](N[6x3]C[3,3,4,6]C[4x3,4,6]C[3x3,6]C[4x3,6]2Ru)(C[4x3,4,6]C[3,3,4,6]N[6x3]H[3]2H[4]H)(C[3x3,6]C[4x3,6]N[6x3]H[3]H3)(H[3]C[4x3,4,6])2(H[3]C[3x3,6])(H)	H(C[5x3,6]C[4x3,4,6]C[3x3,6]N[6x3]H[3]3)	H[3](C[5x3,6]C[4x3,4,6]C[3x3,6]N[6x3]H[3]2H)(C[3x3,6]C[4x3,6]C[5x3,6]N[6x3]H3)	C[5x3,6](N[6x3]C[3,3,4,6]C[4x3,4,6]C[3x3,6]C[4x3,6]2Ru)(C[4x3,4,6]C[3,3,4,6]N[6x3]H[3]2H[4]H)(C[3x3,6]C[4x3,6]N[6x3]H[3]H3)(H[3]C[4x3,4,6])2(H[3]C[3x3,6])(H){3|H<2>,6|H<1>}	H(C[5x3,6]C[4x3,4,6]C[3x3,6]N[6x3]H[3]3)	H[3](C[5x3,6]C[4x3,4,6]C[3x3,6]N[6x3]H[3]2H)(C[3x3,6]C[4x3,6]C[5x3,6]N[6x3]H3)	109.4320	0.000	1	109.4320	0.000	1	109.4320	0.000	1	105.6000	46.321	3	105.6000	46.321	3	104.4039	542.490	92
238	951	968	0:SPD7_SP-NON_SP-NON	C[6x3,4,4]	H	H[3]	6:5:4:4:3:2:1:	7:	7:3:	C[4x3,4,4,5]-6:C[4x3,4,4,5]-5:C[3,4x4,5]-4:O[4x3,4,4]-4:H[3,3]-3:H[3]-2:H-1:	C[6x3,4,4]-7:	C[6x3,4,4]-7:H[3,3]-3:	C[6x3,4,4](C[4x3,4,4,5]C[4x3,4,4,5]H[3,4,4,5]O[4x3,4,4]H[3]H)(C[4x3,4,4,5]C[4x3,4,4,5]O[4x3,4,4]C[4,4,5]H[3,3])(C[3,4x4,5]H[3,4,4,5]O[4x3,4,4]C[4,4,5])(O[4x3,4,4]C[4x3,4,4,5]2C[3,4x4,5])(H[3,3]C[4x3,4,4,5]H[3])(H[3]H[3,3])(H)	H(C[6x3,4,4]C[4x3,4,4,5]2C[3,4x4,5]O[4x3,4,4]H[3,3]H[3])	H[3](C[6x3,4,4]C[4x3,4,4,5]2C[3,4x4,5]O[4x3,4,4]H[3,3]H)(H[3,3]C[4x3,4,4,5]C[6x3,4,4])	C[6x3,4,4](C[4x3,4,4,5]C[4x3,4,4,5]H[3,4,4,5]O[4x3,4,4]H[3]H)(C[4x3,4,4,5]C[4x3,4,4,5]O[4x3,4,4]C[4,4,5]H[3,3])(C[3,4x4,5]H[3,4,4,5]O[4x3,4,4]C[4,4,5])(O[4x3,4,4]C[4x3,4,4,5]2C[3,4x4,5])(H[3,3]C[4x3,4,4,5]H[3])(H[3]H[3,3])(H){1|O<2>,2|H<1>}	H(C[6x3,4,4]C[4x3,4,4,5]2C[3,4x4,5]O[4x3,4,4]H[3,3]H[3])	H[3](C[6x3,4,4]C[4x3,4,4,5]2C[3,4x4,5]O[4x3,4,4]H[3,3]H)(H[3,3]C[4x3,4,4,5]C[6x3,4,4])	104.1170	0.000	1	104.1170	0.000	1	104.1170	0.000	1	104.1170	0.000	1	104.1170	0.000	1	104.4039	542.490	92
238	956	968	0:SPD7_SP-NON_SP2	C[3]	N	H[3]	2:2:3:1:1:1:1:	7:3:5:	7:2:	H[3]-2:H[3]-2:N-3:H-1:H-1:H-1:H-1:	C[3]-7:C[6a]-3:C-5:	C[3]-7:H[3]-2:	C[3](H[3]H[3])2(NC[6a]C)(H)4	N(C[3]H[3]2H4)(C[6a]C[6a]2)(CH4)	H[3](C[3]H[3]H4N)(H[3]C[3])	C[3](H[3]H[3])2(NC[6a]C)(H)4	N(C[3]H[3]2H4)(C[6a]C[6a]2)(CH4)	H[3](C[3]H[3]H4N)(H[3]C[3])	113.0130	13.342	2	113.0130	178.001	2	113.0130	178.001	2	113.0130	178.001	2	111.3342	93.778	6	111.3342	93.778	6
238	956	968	0:SPD7_SP-NON_SP2	C[3]	N	H[3]	3:2:2:1:1:1:1:	7:7:3:	7:2:	N-3:H[3]-2:H[3]-2:H-1:H-1:H-1:H-1:	C[3]-7:C[3]-7:C[6a]-3:	C[3]-7:H[3]-2:	C[3](NC[6a]C[3])(H[3]H[3])2(H)4	N(C[3]H[3]2H4)2(C[6a]C[6a]2)	H[3](C[3]H[3]H4N)(H[3]C[3])	C[3](NC[6a]C[3])(H[3]H[3])2(H)4	N(C[3]H[3]2H4)2(C[6a]C[6a]2)	H[3](C[3]H[3]H4N)(H[3]C[3])	110.4949	9.703	4	110.4949	94.146	4	110.4949	94.146	4	110.4949	94.146	4	111.3342	93.778	6	111.3342	93.778	6
238	968	968	0:SPD7_SP-NON_SP-NON	C[3]	H[3]	H[3]	2:2:3:1:1:1:1:	7:2:	7:2:	H[3]-2:H[3]-2:N-3:H-1:H-1:H-1:H-1:	C[3]-7:H[3]-2:	C[3]-7:H[3]-2:	C[3](H[3]H[3])2(NC[6a]C)(H)4	H[3](C[3]H[3]H4N)(H[3]C[3])	H[3](C[3]H[3]H4N)(H[3]C[3])	C[3](H[3]H[3])2(NC[6a]C)(H)4	H[3](C[3]H[3]H4N)(H[3]C[3])	H[3](C[3]H[3]H4N)(H[3]C[3])	36.1988	0.000	1	36.1988	0.000	1	36.1988	0.000	1	36.1988	0.000	1	36.4613	18.334	4	57.4277	2912.680	31
238	968	968	0:SPD7_SP-NON_SP-NON	C[3]	H[3]	H[3]	3:2:2:1:1:1:1:	7:2:	7:2:	C[6a]-3:H[3]-2:H[3]-2:H-1:H-1:H-1:H-1:	C[3]-7:H[3]-2:	C[3]-7:H[3]-2:	C[3](C[6a]C[6a]N[6a])(H[3]H[3])2(H)4	H[3](C[3]C[6a]H[3]H4)(H[3]C[3])	H[3](C[3]C[6a]H[3]H4)(H[3]C[3])	C[3](C[6a]C[6a]N[6a])(H[3]H[3])2(H)4{1|H<1>,2|C<3>}	H[3](C[3]C[6a]H[3]H4)(H[3]C[3])	H[3](C[3]C[6a]H[3]H4)(H[3]C[3])	42.3404	0.000	1	42.3404	0.000	1	42.3404	0.000	1	36.5488	27.456	3	36.4613	18.334	4	57.4277	2912.680	31
238	968	968	0:SPD7_SP-NON_SP-NON	C[3]	H[3]	H[3]	3:2:2:1:1:1:1:	7:2:	7:2:	N-3:H[3]-2:H[3]-2:H-1:H-1:H-1:H-1:	C[3]-7:H[3]-2:	C[3]-7:H[3]-2:	C[3](NC[6a]C[3])(H[3]H[3])2(H)4	H[3](C[3]H[3]H4N)(H[3]C[3])	H[3](C[3]H[3]H4N)(H[3]C[3])	C[3](NC[6a]C[3])(H[3]H[3])2(H)4	H[3](C[3]H[3]H4N)(H[3]C[3])	H[3](C[3]H[3]H4N)(H[3]C[3])	33.6530	2.144	2	33.6530	4.597	2	33.6530	4.597	2	36.5488	27.456	3	36.4613	18.334	4	57.4277	2912.680	31
238	968	968	0:SPD7_SP-NON_SP-NON	C[3x3,3x4,5,5]	H[3]	H[3]	6:6:5:6:2:2:1:	7:6:	7:6:	C[3,3x4,4x5]-6:C[3x3,4,5,5]-6:C[4x4,5,5]-5:C[4,5,5]-6:H[3]-2:H[3]-2:H-1:	C[3x3,3x4,5,5]-7:C[3x3,4,5,5]-6:	C[3x3,3x4,5,5]-7:C[3x3,4,5,5]-6:	C[3x3,3x4,5,5](C[3,3x4,4x5]C[3x3,4,5,5]C[4,5,5]H[4,4,5]2H)(C[3x3,4,5,5]C[3,3x4,4x5]S[4,5,5]H[3]2H)(C[4x4,5,5]H[4,4,5]2S[4,5,5]H)(C[4,5,5]H[4,5]2H3)(H[3]C[3x3,4,5,5])2(H)	H[3](C[3x3,3x4,5,5]C[3,3x4,4x5]C[3x3,4,5,5]C[4x4,5,5]C[4,5,5]H[3]H)(C[3x3,4,5,5]C[3x3,3x4,5,5]C[3,3x4,4x5]S[4,5,5]H[3]H)	H[3](C[3x3,3x4,5,5]C[3,3x4,4x5]C[3x3,4,5,5]C[4x4,5,5]C[4,5,5]H[3]H)(C[3x3,4,5,5]C[3x3,3x4,5,5]C[3,3x4,4x5]S[4,5,5]H[3]H)	C[3x3,3x4,5,5](C[3,3x4,4x5]C[3x3,4,5,5]C[4,5,5]H[4,4,5]2H)(C[3x3,4,5,5]C[3,3x4,4x5]S[4,5,5]H[3]2H)(C[4x4,5,5]H[4,4,5]2S[4,5,5]H)(C[4,5,5]H[4,5]2H3)(H[3]C[3x3,4,5,5])2(H){1|C<4>,1|H<1>,2|O<1>}	H[3](C[3x3,3x4,5,5]C[3,3x4,4x5]C[3x3,4,5,5]C[4x4,5,5]C[4,5,5]H[3]H)(C[3x3,4,5,5]C[3x3,3x4,5,5]C[3,3x4,4x5]S[4,5,5]H[3]H)	H[3](C[3x3,3x4,5,5]C[3,3x4,4x5]C[3x3,4,5,5]C[4x4,5,5]C[4,5,5]H[3]H)(C[3x3,4,5,5]C[3x3,3x4,5,5]C[3,3x4,4x5]S[4,5,5]H[3]H)	28.8176	0.000	1	28.8176	0.000	1	28.8176	0.000	1	28.8176	0.000	1	28.8176	0.000	1	57.4277	2912.680	31
238	968	968	0:SPD7_SP-NON_SP-NON	C[3x3,3x4]	H[3]	H[3]	5:5:5:2:2:2:1:	7:5:	7:5:	C[3,3,4,4]-5:C[4x3]-5:C[4,4]-5:H[4,4]-2:H[3]-2:H[3]-2:H-1:	C[3x3,3x4]-7:C[4x3]-5:	C[3x3,3x4]-7:C[4x3]-5:	C[3x3,3x4](C[3,3,4,4]C[3x4]C[4x3]H[3]H)(C[4x3]C[3,3,4,4]H[3]3)(C[4,4]C[3x4]HHO)(H[4,4]C[3x4])(H[3]C[4x3])2(H)	H[3](C[3x3,3x4]C[3,3,4,4]C[4,4]C[4x3]H[4,4]H[3]H)(C[4x3]C[3,3,4,4]C[3x3,3x4]H[3]2)	H[3](C[3x3,3x4]C[3,3,4,4]C[4,4]C[4x3]H[4,4]H[3]H)(C[4x3]C[3,3,4,4]C[3x3,3x4]H[3]2)	C[3x3,3x4](C[3,3,4,4]C[3x4]C[4x3]H[3]H)(C[4x3]C[3,3,4,4]H[3]3)(C[4,4]C[3x4]HHO)(H[4,4]C[3x4])(H[3]C[4x3])2(H)	H[3](C[3x3,3x4]C[3,3,4,4]C[4,4]C[4x3]H[4,4]H[3]H)(C[4x3]C[3,3,4,4]C[3x3,3x4]H[3]2)	H[3](C[3x3,3x4]C[3,3,4,4]C[4,4]C[4x3]H[4,4]H[3]H)(C[4x3]C[3,3,4,4]C[3x3,3x4]H[3]2)	85.4080	0.000	1	85.4080	0.000	1	85.4080	0.000	1	85.4080	0.000	1	85.4080	0.000	1	57.4277	2912.680	31
238	968	968	0:SPD7_SP-NON_SP-NON	C[3x3]	H[3]	H[3]	7:7:3:2:2:1:1:	7:7:	7:7:	C[4x3]-7:C[4x3]-7:C[6a]-3:H[3]-2:H[3]-2:H-1:H-1:	C[4x3]-7:C[3x3]-7:	C[4x3]-7:C[3x3]-7:	C[3x3](C[4x3]C[4x3]H[3]3HH)2(C[6a]C[6a]2)(H[3]C[4x3])2(H)2	H[3](C[4x3]C[3x3]C[4x3]H[3]2HH)(C[3x3]C[4x3]2C[6a]H[3]HH)	H[3](C[4x3]C[3x3]C[4x3]H[3]2HH)(C[3x3]C[4x3]2C[6a]H[3]HH)	C[3x3](C[4x3]C[4x3]H[3]3HH)2(C[6a]C[6a]2)(H[3]C[4x3])2(H)2{1|H<1>,3|C<3>}	H[3](C[4x3]C[3x3]C[4x3]H[3]2HH)(C[3x3]C[4x3]2C[6a]H[3]HH)	H[3](C[4x3]C[3x3]C[4x3]H[3]2HH)(C[3x3]C[4x3]2C[6a]H[3]HH)	142.0970	0.000	1	142.0970	0.000	1	142.0970	0.000	1	142.0970	0.000	1	142.0970	0.000	1	57.4277	2912.680	31
238	968	968	0:SPD7_SP-NON_SP-NON	C[4x3,4,6]	H[3]	H[3]	7:6:7:2:2:2:1:	7:7:	7:7:	N[6x3]-7:C[3,3,4,6]-6:C[5x3,6]-7:H[3]-2:H[3]-2:H[4]-2:H-1:	C[4x3,4,6]-7:C[5x3,6]-7:	C[4x3,4,6]-7:C[5x3,6]-7:	C[4x3,4,6](N[6x3]C[3,3,4,6]C[3x3,6]C[4x3,6]2C[5x3,6]Ru)(C[3,3,4,6]C[4x3,6]N[6x3]H[4]HH)(C[5x3,6]C[3x3,6]N[6x3]H[3]3H)(H[3]C[5x3,6])2(H[4]H[4])(H)	H[3](C[4x3,4,6]C[3,3,4,6]C[5x3,6]N[6x3]H[3]H[4]H)(C[5x3,6]C[4x3,4,6]C[3x3,6]N[6x3]H[3]2H)	H[3](C[4x3,4,6]C[3,3,4,6]C[5x3,6]N[6x3]H[3]H[4]H)(C[5x3,6]C[4x3,4,6]C[3x3,6]N[6x3]H[3]2H)	C[4x3,4,6](N[6x3]C[3,3,4,6]C[3x3,6]C[4x3,6]2C[5x3,6]Ru)(C[3,3,4,6]C[4x3,6]N[6x3]H[4]HH)(C[5x3,6]C[3x3,6]N[6x3]H[3]3H)(H[3]C[5x3,6])2(H[4]H[4])(H){2|H<2>,7|H<1>}	H[3](C[4x3,4,6]C[3,3,4,6]C[5x3,6]N[6x3]H[3]H[4]H)(C[5x3,6]C[4x3,4,6]C[3x3,6]N[6x3]H[3]2H)	H[3](C[4x3,4,6]C[3,3,4,6]C[5x3,6]N[6x3]H[3]H[4]H)(C[5x3,6]C[4x3,4,6]C[3x3,6]N[6x3]H[3]2H)	13.9794	0.000	1	13.9794	0.000	1	13.9794	0.000	1	13.9794	0.000	1	13.9794	0.000	1	57.4277	2912.680	31
238	968	968	0:SPD7_SP-NON_SP-NON	C[4x3,6]	H[3]	H[3]	7:6:7:2:2:1:1:	7:7:	7:7:	C[6x3]-7:C[3x3,6]-6:C[4x3,6]-7:H[3]-2:H[3]-2:H-1:H-1:	C[4x3,6]-7:C[4x3,6]-7:	C[4x3,6]-7:C[4x3,6]-7:	C[4x3,6](C[6x3]C[3x3,6]2C[4x3,6]2C[5x3,6]C[6a])(C[3x3,6]C[5x3,6]C[6x3]H[3,3]HH)(C[4x3,6]C[3x3,6]C[6x3]H[3]2HH)(H[3]C[4x3,6])2(H)2	H[3](C[4x3,6]C[3x3,6]C[4x3,6]C[6x3]H[3]HH)2	H[3](C[4x3,6]C[3x3,6]C[4x3,6]C[6x3]H[3]HH)2	C[4x3,6](C[6x3]C[3x3,6]2C[4x3,6]2C[5x3,6]C[6a])(C[3x3,6]C[5x3,6]C[6x3]H[3,3]HH)(C[4x3,6]C[3x3,6]C[6x3]H[3]2HH)(H[3]C[4x3,6])2(H)2{2|C<3>,3|H<2>,6|H<1>}	H[3](C[4x3,6]C[3x3,6]C[4x3,6]C[6x3]H[3]HH)2	H[3](C[4x3,6]C[3x3,6]C[4x3,6]C[6x3]H[3]HH)2	10.9744	0.000	1	10.9744	0.000	1	10.9744	0.000	1	10.1004	1.528	2	10.7189	1.117	4	57.4277	2912.680	31
238	968	968	0:SPD7_SP-NON_SP-NON	C[4x3,6]	H[3]	H[3]	7:6:7:2:2:1:1:	7:7:	7:7:	N[6x3]-7:C[3,3,4,6]-6:C[4x3,6]-7:H[3]-2:H[3]-2:H-1:H-1:	C[4x3,6]-7:C[4x3,6]-7:	C[4x3,6]-7:C[4x3,6]-7:	C[4x3,6](N[6x3]C[3,3,4,6]C[4x3,4,6]C[3x3,6]C[4x3,6]C[5x3,6]Ru)(C[3,3,4,6]C[4x3,4,6]N[6x3]H[4]HH)(C[4x3,6]C[3x3,6]N[6x3]H[3]2HH)(H[3]C[4x3,6])2(H)2	H[3](C[4x3,6]C[3,3,4,6]C[4x3,6]N[6x3]H[3]HH)(C[4x3,6]C[3x3,6]C[4x3,6]N[6x3]H[3]HH)	H[3](C[4x3,6]C[3,3,4,6]C[4x3,6]N[6x3]H[3]HH)(C[4x3,6]C[3x3,6]C[4x3,6]N[6x3]H[3]HH)	C[4x3,6](N[6x3]C[3,3,4,6]C[4x3,4,6]C[3x3,6]C[4x3,6]C[5x3,6]Ru)(C[3,3,4,6]C[4x3,4,6]N[6x3]H[4]HH)(C[4x3,6]C[3x3,6]N[6x3]H[3]2HH)(H[3]C[4x3,6])2(H)2{4|H<2>,5|H<1>}	H[3](C[4x3,6]C[3,3,4,6]C[4x3,6]N[6x3]H[3]HH)(C[4x3,6]C[3x3,6]C[4x3,6]N[6x3]H[3]HH)	H[3](C[4x3,6]C[3,3,4,6]C[4x3,6]N[6x3]H[3]HH)(C[4x3,6]C[3x3,6]C[4x3,6]N[6x3]H[3]HH)	9.2265	0.000	1	9.2265	0.000	1	9.2265	0.000	1	10.1004	1.528	2	10.7189	1.117	4	57.4277	2912.680	31
238	968	968	0:SPD7_SP-NON_SP-NON	C[4x3,6]	H[3]	H[3]	7:7:7:2:2:1:1:	7:7:	7:7:	C[6x3]-7:C[4x3,6]-7:C[3x3,6]-7:H[3]-2:H[3]-2:H-1:H-1:	C[4x3,6]-7:C[4x3,6]-7:	C[4x3,6]-7:C[4x3,6]-7:	C[4x3,6](C[6x3]C[3x3,6]2C[4x3,6]2C[5x3,6]C[6a])(C[4x3,6]C[3x3,6]C[6x3]H[3]2HH)(C[3x3,6]C[4x3,6]C[6x3]H[3]H3)(H[3]C[4x3,6])2(H)2	H[3](C[4x3,6]C[3x3,6]C[4x3,6]C[6x3]H[3]HH)2	H[3](C[4x3,6]C[3x3,6]C[4x3,6]C[6x3]H[3]HH)2	C[4x3,6](C[6x3]C[3x3,6]2C[4x3,6]2C[5x3,6]C[6a])(C[4x3,6]C[3x3,6]C[6x3]H[3]2HH)(C[3x3,6]C[4x3,6]C[6x3]H[3]H3)(H[3]C[4x3,6])2(H)2{1|H<3>,2|C<3>,2|H<2>,5|H<1>}	H[3](C[4x3,6]C[3x3,6]C[4x3,6]C[6x3]H[3]HH)2	H[3](C[4x3,6]C[3x3,6]C[4x3,6]C[6x3]H[3]HH)2	11.7203	0.000	1	11.7203	0.000	1	11.7203	0.000	1	11.3375	0.293	2	10.7189	1.117	4	57.4277	2912.680	31
238	968	968	0:SPD7_SP-NON_SP-NON	C[4x3,6]	H[3]	H[3]	7:7:7:2:2:1:1:	7:7:	7:7:	N[6x3]-7:C[4x3,6]-7:C[3x3,6]-7:H[3]-2:H[3]-2:H-1:H-1:	C[4x3,6]-7:C[4x3,6]-7:	C[4x3,6]-7:C[4x3,6]-7:	C[4x3,6](N[6x3]C[3,3,4,6]C[4x3,4,6]C[3x3,6]C[4x3,6]C[5x3,6]Ru)(C[4x3,6]C[3,3,4,6]N[6x3]H[3]2HH)(C[3x3,6]C[5x3,6]N[6x3]H[3]H3)(H[3]C[4x3,6])2(H)2	H[3](C[4x3,6]C[3,3,4,6]C[4x3,6]N[6x3]H[3]HH)(C[4x3,6]C[3x3,6]C[4x3,6]N[6x3]H[3]HH)	H[3](C[4x3,6]C[3,3,4,6]C[4x3,6]N[6x3]H[3]HH)(C[4x3,6]C[3x3,6]C[4x3,6]N[6x3]H[3]HH)	C[4x3,6](N[6x3]C[3,3,4,6]C[4x3,4,6]C[3x3,6]C[4x3,6]C[5x3,6]Ru)(C[4x3,6]C[3,3,4,6]N[6x3]H[3]2HH)(C[3x3,6]C[5x3,6]N[6x3]H[3]H3)(H[3]C[4x3,6])2(H)2{4|H<1>,4|H<2>}	H[3](C[4x3,6]C[3,3,4,6]C[4x3,6]N[6x3]H[3]HH)(C[4x3,6]C[3x3,6]C[4x3,6]N[6x3]H[3]HH)	H[3](C[4x3,6]C[3,3,4,6]C[4x3,6]N[6x3]H[3]HH)(C[4x3,6]C[3x3,6]C[4x3,6]N[6x3]H[3]HH)	10.9546	0.000	1	10.9546	0.000	1	10.9546	0.000	1	11.3375	0.293	2	10.7189	1.117	4	57.4277	2912.680	31
238	968	968	0:SPD7_SP-NON_SP-NON	C[4x3]	H[3]	H[3]	7:2:2:2:2:2:1:	7:7:	7:7:	C[4x3]-7:H[3]-2:H[3]-2:H[3]-2:H[3]-2:O-2:H-1:	C[4x3]-7:C[4x3]-7:	C[4x3]-7:C[4x3]-7:	C[4x3](C[4x3]H[3]4HO)(H[3]C[4x3])4(OH)(H)	H[3](C[4x3]C[4x3]H[3]3HO)2	H[3](C[4x3]C[4x3]H[3]3HO)2	C[4x3](C[4x3]H[3]4HO)(H[3]C[4x3])4(OH)(H)	H[3](C[4x3]C[4x3]H[3]3HO)2	H[3](C[4x3]C[4x3]H[3]3HO)2	70.3022	45.437	6	70.3022	2064.486	6	70.3022	2064.486	6	70.3022	2064.486	6	66.7091	3713.630	16	57.4277	2912.680	31
238	968	968	0:SPD7_SP-NON_SP-NON	C[4x3]	H[3]	H[3]	7:7:2:2:2:1:1:	7:7:	7:7:	C[3x3]-7:C[4x3]-7:H[3]-2:H[3]-2:H[3]-2:H-1:H-1:	C[4x3]-7:C[3x3]-7:	C[4x3]-7:C[4x3]-7:	C[4x3](C[3x3]C[4x3]C[6a]H[3]2HH)(C[4x3]C[3x3]H[3]3HH)(H[3]C[3x3])(H[3]C[4x3])2(H)2	H[3](C[4x3]C[3x3]C[4x3]H[3]2HH)(C[3x3]C[4x3]2C[6a]H[3]HH)	H[3](C[4x3]C[3x3]C[4x3]H[3]2HH)2	C[4x3](C[3x3]C[4x3]C[6a]H[3]2HH)(C[4x3]C[3x3]H[3]3HH)(H[3]C[3x3])(H[3]C[4x3])2(H)2{2|C<3>}	H[3](C[4x3]C[3x3]C[4x3]H[3]2HH)(C[3x3]C[4x3]2C[6a]H[3]HH)	H[3](C[4x3]C[3x3]C[4x3]H[3]2HH)2	146.7865	5.881	4	146.7865	34.590	4	146.7865	34.590	4	102.0361	4827.002	6	66.7091	3713.630	16	57.4277	2912.680	31
238	968	968	0:SPD7_SP-NON_SP-NON	C[4x3]	H[3]	H[3]	7:7:2:2:2:1:1:	7:7:	7:7:	C[3x3]-7:C[4x3]-7:H[3]-2:H[3]-2:H[3]-2:H-1:H-1:	C[4x3]-7:C[4x3]-7:	C[4x3]-7:C[4x3]-7:	C[4x3](C[3x3]C[4x3]C[6a]H[3]2HH)(C[4x3]C[3x3]H[3]3HH)(H[3]C[3x3])(H[3]C[4x3])2(H)2	H[3](C[4x3]C[3x3]C[4x3]H[3]2HH)2	H[3](C[4x3]C[3x3]C[4x3]H[3]2HH)2	C[4x3](C[3x3]C[4x3]C[6a]H[3]2HH)(C[4x3]C[3x3]H[3]3HH)(H[3]C[3x3])(H[3]C[4x3])2(H)2{2|C<3>}	H[3](C[4x3]C[3x3]C[4x3]H[3]2HH)2	H[3](C[4x3]C[3x3]C[4x3]H[3]2HH)2	12.5353	0.246	2	12.5353	0.060	2	12.5353	0.060	2	102.0361	4827.002	6	66.7091	3713.630	16	57.4277	2912.680	31
238	968	968	0:SPD7_SP-NON_SP-NON	C[4x3]	H[3]	H[3]	7:7:6:2:2:1:1:	7:6:	7:6:	C[3x3,3x4]-7:C[4x3]-7:C[3x3]-6:H[3]-2:H[3]-2:H-1:H-1:	C[4x3]-7:C[3x3]-6:	C[4x3]-7:C[3x3]-6:	C[4x3](C[3x3,3x4]C[3,6x4]C[3x3]2C[4x3]C[6x4]C[6a])(C[4x3]C[3x3,3x4]C[3x3]H[3]2HH)(C[3x3]C[3x3,3x4]H[3]2HH)(H[3]C[3x3])2(H)2	H[3](C[4x3]C[3x3,3x4]C[3x3]C[4x3]H[3]HH)(C[3x3]C[3x3,3x4]C[4x3]H[3]HH)	H[3](C[4x3]C[3x3,3x4]C[3x3]C[4x3]H[3]HH)(C[3x3]C[3x3,3x4]C[4x3]H[3]HH)	C[4x3](C[3x3,3x4]C[3,6x4]C[3x3]2C[4x3]C[6x4]C[6a])(C[4x3]C[3x3,3x4]C[3x3]H[3]2HH)(C[3x3]C[3x3,3x4]H[3]2HH)(H[3]C[3x3])2(H)2{1|H<3>,2|C<3>,3|H<2>,4|H<1>}	H[3](C[4x3]C[3x3,3x4]C[3x3]C[4x3]H[3]HH)(C[3x3]C[3x3,3x4]C[4x3]H[3]HH)	H[3](C[4x3]C[3x3,3x4]C[3x3]C[4x3]H[3]HH)(C[3x3]C[3x3,3x4]C[4x3]H[3]HH)	7.2306	6.570	2	7.2306	43.166	2	7.2306	43.166	2	7.2306	43.166	2	66.7091	3713.630	16	57.4277	2912.680	31
238	968	968	0:SPD7_SP-NON_SP-NON	C[4x3]	H[3]	H[3]	7:7:7:2:2:1:1:	7:7:	7:7:	C[4x3,4,4]-7:C[3,3,3x4]-7:C[4x3]-7:H[3]-2:H[3]-2:H-1:H-1:	C[4x3]-7:C[4x3]-7:	C[4x3]-7:C[4x3]-7:	C[4x3](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]C[5x3]C[6a])(C[3,3,3x4]C[4x3,4,4]H[3,4,4]H[4,4]H[3]HH)(C[4x3]C[4x3,4,4]C[5x3]H[3]2HH)(H[3]C[4x3])2(H)2	H[3](C[4x3]C[3,3,3x4]C[4x3,4,4]C[4x3]H[3]HH)(C[4x3]C[4x3,4,4]C[4x3]C[5x3]H[3]HH)	H[3](C[4x3]C[3,3,3x4]C[4x3,4,4]C[4x3]H[3]HH)(C[4x3]C[4x3,4,4]C[4x3]C[5x3]H[3]HH)	C[4x3](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]C[5x3]C[6a])(C[3,3,3x4]C[4x3,4,4]H[3,4,4]H[4,4]H[3]HH)(C[4x3]C[4x3,4,4]C[5x3]H[3]2HH)(H[3]C[4x3])2(H)2{1|H<3>,2|C<3>,2|H<2>,4|H<1>}	H[3](C[4x3]C[3,3,3x4]C[4x3,4,4]C[4x3]H[3]HH)(C[4x3]C[4x3,4,4]C[4x3]C[5x3]H[3]HH)	H[3](C[4x3]C[3,3,3x4]C[4x3,4,4]C[4x3]H[3]HH)(C[4x3]C[4x3,4,4]C[4x3]C[5x3]H[3]HH)	9.9302	0.000	1	9.9302	0.000	1	9.9302	0.000	1	9.9302	0.000	1	66.7091	3713.630	16	57.4277	2912.680	31
238	968	968	0:SPD7_SP-NON_SP-NON	C[4x3]	H[3]	H[3]	7:8:7:2:2:1:1:	7:7:	7:7:	C[4x3,4,4]-7:C[5x3]-8:C[4x3]-7:H[3]-2:H[3]-2:H-1:H-1:	C[4x3]-7:C[4x3]-7:	C[4x3]-7:C[4x3]-7:	C[4x3](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]C[5x3]C[6a])(C[5x3]C[4x3,4,4]C[3x3]H[3,3]H[3]2HH)(C[4x3]C[3,3,3x4]C[4x3,4,4]H[3]2HH)(H[3]C[4x3])2(H)2	H[3](C[4x3]C[3,3,3x4]C[4x3,4,4]C[4x3]H[3]HH)(C[4x3]C[4x3,4,4]C[4x3]C[5x3]H[3]HH)	H[3](C[4x3]C[3,3,3x4]C[4x3,4,4]C[4x3]H[3]HH)(C[4x3]C[4x3,4,4]C[4x3]C[5x3]H[3]HH)	C[4x3](C[4x3,4,4]C[3,3,3x4]C[3x3]C[3x4]C[4x3]C[5x3]C[6a])(C[5x3]C[4x3,4,4]C[3x3]H[3,3]H[3]2HH)(C[4x3]C[3,3,3x4]C[4x3,4,4]H[3]2HH)(H[3]C[4x3])2(H)2{1|H<3>,2|C<3>,2|H<2>,4|H<1>}	H[3](C[4x3]C[3,3,3x4]C[4x3,4,4]C[4x3]H[3]HH)(C[4x3]C[4x3,4,4]C[4x3]C[5x3]H[3]HH)	H[3](C[4x3]C[3,3,3x4]C[4x3,4,4]C[4x3]H[3]HH)(C[4x3]C[4x3,4,4]C[4x3]C[5x3]H[3]HH)	8.9236	0.000	1	8.9236	0.000	1	8.9236	0.000	1	8.9236	0.000	1	66.7091	3713.630	16	57.4277	2912.680	31
238	968	968	0:SPD7_SP-NON_SP-NON	C[5x3,6]	H[3]	H[3]	7:7:7:2:2:2:1:	7:7:	7:7:	N[6x3]-7:C[4x3,4,6]-7:C[3x3,6]-7:H[3]-2:H[3]-2:H[3]-2:H-1:	C[4x3,4,6]-7:C[5x3,6]-7:	C[4x3,4,6]-7:C[5x3,6]-7:	C[5x3,6](N[6x3]C[3,3,4,6]C[4x3,4,6]C[3x3,6]C[4x3,6]2Ru)(C[4x3,4,6]C[3,3,4,6]N[6x3]H[3]2H[4]H)(C[3x3,6]C[4x3,6]N[6x3]H[3]H3)(H[3]C[4x3,4,6])2(H[3]C[3x3,6])(H)	H[3](C[4x3,4,6]C[3,3,4,6]C[5x3,6]N[6x3]H[3]H[4]H)(C[5x3,6]C[4x3,4,6]C[3x3,6]N[6x3]H[3]2H)	H[3](C[4x3,4,6]C[3,3,4,6]C[5x3,6]N[6x3]H[3]H[4]H)(C[5x3,6]C[4x3,4,6]C[3x3,6]N[6x3]H[3]2H)	C[5x3,6](N[6x3]C[3,3,4,6]C[4x3,4,6]C[3x3,6]C[4x3,6]2Ru)(C[4x3,4,6]C[3,3,4,6]N[6x3]H[3]2H[4]H)(C[3x3,6]C[4x3,6]N[6x3]H[3]H3)(H[3]C[4x3,4,6])2(H[3]C[3x3,6])(H){3|H<2>,6|H<1>}	H[3](C[4x3,4,6]C[3,3,4,6]C[5x3,6]N[6x3]H[3]H[4]H)(C[5x3,6]C[4x3,4,6]C[3x3,6]N[6x3]H[3]2H)	H[3](C[4x3,4,6]C[3,3,4,6]C[5x3,6]N[6x3]H[3]H[4]H)(C[5x3,6]C[4x3,4,6]C[3x3,6]N[6x3]H[3]2H)	17.6689	0.000	1	17.6689	0.000	1	17.6689	0.000	1	84.6306	3438.014	3	84.6306	3438.014	3	57.4277	2912.680	31
238	968	968	0:SPD7_SP-NON_SP-NON	C[5x3,6]	H[3]	H[3]	7:7:7:2:2:2:1:	7:7:	7:7:	N[6x3]-7:C[4x3,4,6]-7:C[3x3,6]-7:H[3]-2:H[3]-2:H[3]-2:H-1:	C[4x3,4,6]-7:C[5x3,6]-7:	C[5x3,6]-7:C[3x3,6]-7:	C[5x3,6](N[6x3]C[3,3,4,6]C[4x3,4,6]C[3x3,6]C[4x3,6]2Ru)(C[4x3,4,6]C[3,3,4,6]N[6x3]H[3]2H[4]H)(C[3x3,6]C[4x3,6]N[6x3]H[3]H3)(H[3]C[4x3,4,6])2(H[3]C[3x3,6])(H)	H[3](C[4x3,4,6]C[3,3,4,6]C[5x3,6]N[6x3]H[3]H[4]H)(C[5x3,6]C[4x3,4,6]C[3x3,6]N[6x3]H[3]2H)	H[3](C[5x3,6]C[4x3,4,6]C[3x3,6]N[6x3]H[3]2H)(C[3x3,6]C[4x3,6]C[5x3,6]N[6x3]H3)	C[5x3,6](N[6x3]C[3,3,4,6]C[4x3,4,6]C[3x3,6]C[4x3,6]2Ru)(C[4x3,4,6]C[3,3,4,6]N[6x3]H[3]2H[4]H)(C[3x3,6]C[4x3,6]N[6x3]H[3]H3)(H[3]C[4x3,4,6])2(H[3]C[3x3,6])(H){3|H<2>,6|H<1>}	H[3](C[4x3,4,6]C[3,3,4,6]C[5x3,6]N[6x3]H[3]H[4]H)(C[5x3,6]C[4x3,4,6]C[3x3,6]N[6x3]H[3]2H)	H[3](C[5x3,6]C[4x3,4,6]C[3x3,6]N[6x3]H[3]2H)(C[3x3,6]C[4x3,6]C[5x3,6]N[6x3]H3)	118.1115	12.256	2	118.1115	150.216	2	118.1115	150.216	2	84.6306	3438.014	3	84.6306	3438.014	3	57.4277	2912.680	31
242	622	622	0:SPD5_SP2_SP2	Ge[3x6]	O[6]	O[6]	3:3:2:2:1:	5:3:	5:3:	N[5a,6,6]-3:N[5a,6,6]-3:O[6]-2:O[6]-2:Cl-1:	Ge[3x6]-5:C[6,6a]-3:	Ge[3x6]-5:C[6,6a]-3:	Ge[3x6](N[5a,6,6]C[5a,6]2)2(O[6]C[6,6a])2(Cl)	O[6](Ge[3x6]N[5a,6,6]2O[6]Cl)(C[6,6a]C[6,6a]C[6a])	O[6](Ge[3x6]N[5a,6,6]2O[6]Cl)(C[6,6a]C[6,6a]C[6a])	Ge[3x6](N[5a,6,6]C[5a,6]2)2(O[6]C[6,6a])2(Cl){9|C<3>}	O[6](Ge[3x6]N[5a,6,6]2O[6]Cl)(C[6,6a]C[6,6a]C[6a]){1|C<4>,7|C<3>}	O[6](Ge[3x6]N[5a,6,6]2O[6]Cl)(C[6,6a]C[6,6a]C[6a]){1|C<4>,7|C<3>}	84.7351	4.123	2	84.7351	17.003	2	84.7351	17.003	2	84.7351	17.003	2	84.8004	8.514	3	84.8004	8.514	3
242	622	622	0:SPD5_SP2_SP2	Ge[3x6]	O[6]	O[6]	3:3:3:2:2:	5:3:	5:3:	N[5a,6,6]-3:N[5a,6,6]-3:C[6a]-3:O[6]-2:O[6]-2:	Ge[3x6]-5:C[6,6a]-3:	Ge[3x6]-5:C[6,6a]-3:	Ge[3x6](N[5a,6,6]C[5a,6]2)2(C[6a]C[6a]2)(O[6]C[6,6a])2	O[6](Ge[3x6]N[5a,6,6]2C[6a]O[6])(C[6,6a]C[6,6a]C[6a])	O[6](Ge[3x6]N[5a,6,6]2C[6a]O[6])(C[6,6a]C[6,6a]C[6a])	Ge[3x6](N[5a,6,6]C[5a,6]2)2(C[6a]C[6a]2)(O[6]C[6,6a])2{11|C<3>,2|H<1>}	O[6](Ge[3x6]N[5a,6,6]2C[6a]O[6])(C[6,6a]C[6,6a]C[6a]){1|H<1>,9|C<3>}	O[6](Ge[3x6]N[5a,6,6]2C[6a]O[6])(C[6,6a]C[6,6a]C[6a]){1|H<1>,9|C<3>}	84.9312	0.000	1	84.9312	0.000	1	84.9312	0.000	1	84.9312	0.000	1	84.8004	8.514	3	84.8004	8.514	3
242	622	643	0:SPD5_SP2_SP2	Ge[3x6]	O[6]	C[6a]	3:3:3:2:2:	5:3:	5:3:3:	N[5a,6,6]-3:N[5a,6,6]-3:C[6a]-3:O[6]-2:O[6]-2:	Ge[3x6]-5:C[6,6a]-3:	Ge[3x6]-5:C[6a]-3:C[6a]-3:	Ge[3x6](N[5a,6,6]C[5a,6]2)2(C[6a]C[6a]2)(O[6]C[6,6a])2	O[6](Ge[3x6]N[5a,6,6]2C[6a]O[6])(C[6,6a]C[6,6a]C[6a])	C[6a](Ge[3x6]N[5a,6,6]2O[6]2)(C[6a]C[6a]H)2	Ge[3x6](N[5a,6,6]C[5a,6]2)2(C[6a]C[6a]2)(O[6]C[6,6a])2{11|C<3>,2|H<1>}	O[6](Ge[3x6]N[5a,6,6]2C[6a]O[6])(C[6,6a]C[6,6a]C[6a]){1|H<1>,9|C<3>}	C[6a](Ge[3x6]N[5a,6,6]2O[6]2)(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	104.9986	14.632	2	104.9986	214.094	2	104.9986	214.094	2	104.9986	214.094	2	104.9986	214.094	2	104.9986	214.094	2
242	622	790	0:SPD5_SP-NON_SP2	Ge[3x6]	O[6]	Cl	3:3:2:2:1:	5:3:	5:	N[5a,6,6]-3:N[5a,6,6]-3:O[6]-2:O[6]-2:Cl-1:	Ge[3x6]-5:C[6,6a]-3:	Ge[3x6]-5:	Ge[3x6](N[5a,6,6]C[5a,6]2)2(O[6]C[6,6a])2(Cl)	O[6](Ge[3x6]N[5a,6,6]2O[6]Cl)(C[6,6a]C[6,6a]C[6a])	Cl(Ge[3x6]N[5a,6,6]2O[6]2)	Ge[3x6](N[5a,6,6]C[5a,6]2)2(O[6]C[6,6a])2(Cl){9|C<3>}	O[6](Ge[3x6]N[5a,6,6]2O[6]Cl)(C[6,6a]C[6,6a]C[6a]){1|C<4>,7|C<3>}	Cl(Ge[3x6]N[5a,6,6]2O[6]2)	102.6753	11.364	4	102.6753	129.138	4	102.6753	129.138	4	102.6753	129.138	4	102.6753	129.138	4	102.6753	129.138	4
242	622	813	0:SPD5_SP2_SP2	Ge[3x6]	O[6]	N[5a,6,6]	3:3:2:2:1:	5:3:	5:3:3:	N[5a,6,6]-3:N[5a,6,6]-3:O[6]-2:O[6]-2:Cl-1:	Ge[3x6]-5:C[6,6a]-3:	Ge[3x6]-5:C[5a,6]-3:C[5a,6]-3:	Ge[3x6](N[5a,6,6]C[5a,6]2)2(O[6]C[6,6a])2(Cl)	O[6](Ge[3x6]N[5a,6,6]2O[6]Cl)(C[6,6a]C[6,6a]C[6a])	N[5a,6,6](Ge[3x6]N[5a,6,6]O[6]2Cl)(C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a]C[6])	Ge[3x6](N[5a,6,6]C[5a,6]2)2(O[6]C[6,6a])2(Cl){9|C<3>}	O[6](Ge[3x6]N[5a,6,6]2O[6]Cl)(C[6,6a]C[6,6a]C[6a]){1|C<4>,7|C<3>}	N[5a,6,6](Ge[3x6]N[5a,6,6]O[6]2Cl)(C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,6|C<3>}	154.5362	21.164	4	154.5362	447.895	4	154.5362	447.895	4	154.5362	447.895	4	152.6205	419.765	6	152.6205	419.765	6
242	622	813	0:SPD5_SP2_SP2	Ge[3x6]	O[6]	N[5a,6,6]	3:3:3:2:2:	5:3:	5:3:3:	N[5a,6,6]-3:N[5a,6,6]-3:C[6a]-3:O[6]-2:O[6]-2:	Ge[3x6]-5:C[6,6a]-3:	Ge[3x6]-5:C[5a,6]-3:C[5a,6]-3:	Ge[3x6](N[5a,6,6]C[5a,6]2)2(C[6a]C[6a]2)(O[6]C[6,6a])2	O[6](Ge[3x6]N[5a,6,6]2C[6a]O[6])(C[6,6a]C[6,6a]C[6a])	N[5a,6,6](Ge[3x6]N[5a,6,6]C[6a]O[6]2)(C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a]C[6])	Ge[3x6](N[5a,6,6]C[5a,6]2)2(C[6a]C[6a]2)(O[6]C[6,6a])2{11|C<3>,2|H<1>}	O[6](Ge[3x6]N[5a,6,6]2C[6a]O[6])(C[6,6a]C[6,6a]C[6a]){1|H<1>,9|C<3>}	N[5a,6,6](Ge[3x6]N[5a,6,6]C[6a]O[6]2)(C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,8|C<3>}	148.7890	26.666	2	148.7890	711.097	2	148.7890	711.097	2	148.7890	711.097	2	152.6205	419.765	6	152.6205	419.765	6
242	622	813	6:SPD5_SP2_SP2	Ge[3x6]	O[6]	N[5a,6,6]	3:3:2:2:1:	5:3:	5:3:3:	N[5a,6,6]-3:N[5a,6,6]-3:O[6]-2:O[6]-2:Cl-1:	Ge[3x6]-5:C[6,6a]-3:	Ge[3x6]-5:C[5a,6]-3:C[5a,6]-3:	Ge[3x6](N[5a,6,6]C[5a,6]2)2(O[6]C[6,6a])2(Cl)	O[6](Ge[3x6]N[5a,6,6]2O[6]Cl)(C[6,6a]C[6,6a]C[6a])	N[5a,6,6](Ge[3x6]N[5a,6,6]O[6]2Cl)(C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a]C[6])	Ge[3x6](N[5a,6,6]C[5a,6]2)2(O[6]C[6,6a])2(Cl){9|C<3>}	O[6](Ge[3x6]N[5a,6,6]2O[6]Cl)(C[6,6a]C[6,6a]C[6a]){1|C<4>,7|C<3>}	N[5a,6,6](Ge[3x6]N[5a,6,6]O[6]2Cl)(C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,6|C<3>}	90.4282	0.937	4	90.4282	0.878	4	90.4282	0.878	4	90.4282	0.878	4	89.7837	2.804	6	89.7837	2.804	6
242	622	813	6:SPD5_SP2_SP2	Ge[3x6]	O[6]	N[5a,6,6]	3:3:3:2:2:	5:3:	5:3:3:	N[5a,6,6]-3:N[5a,6,6]-3:C[6a]-3:O[6]-2:O[6]-2:	Ge[3x6]-5:C[6,6a]-3:	Ge[3x6]-5:C[5a,6]-3:C[5a,6]-3:	Ge[3x6](N[5a,6,6]C[5a,6]2)2(C[6a]C[6a]2)(O[6]C[6,6a])2	O[6](Ge[3x6]N[5a,6,6]2C[6a]O[6])(C[6,6a]C[6,6a]C[6a])	N[5a,6,6](Ge[3x6]N[5a,6,6]C[6a]O[6]2)(C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a]C[6])	Ge[3x6](N[5a,6,6]C[5a,6]2)2(C[6a]C[6a]2)(O[6]C[6,6a])2{11|C<3>,2|H<1>}	O[6](Ge[3x6]N[5a,6,6]2C[6a]O[6])(C[6,6a]C[6,6a]C[6a]){1|H<1>,9|C<3>}	N[5a,6,6](Ge[3x6]N[5a,6,6]C[6a]O[6]2)(C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,8|C<3>}	88.4947	2.530	2	88.4947	6.400	2	88.4947	6.400	2	88.4947	6.400	2	89.7837	2.804	6	89.7837	2.804	6
242	643	813	0:SPD5_SP2_SP2	Ge[3x6]	C[6a]	N[5a,6,6]	3:3:3:2:2:	5:3:3:	5:3:3:	N[5a,6,6]-3:N[5a,6,6]-3:C[6a]-3:O[6]-2:O[6]-2:	Ge[3x6]-5:C[6a]-3:C[6a]-3:	Ge[3x6]-5:C[5a,6]-3:C[5a,6]-3:	Ge[3x6](N[5a,6,6]C[5a,6]2)2(C[6a]C[6a]2)(O[6]C[6,6a])2	C[6a](Ge[3x6]N[5a,6,6]2O[6]2)(C[6a]C[6a]H)2	N[5a,6,6](Ge[3x6]N[5a,6,6]C[6a]O[6]2)(C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a]C[6])	Ge[3x6](N[5a,6,6]C[5a,6]2)2(C[6a]C[6a]2)(O[6]C[6,6a])2{11|C<3>,2|H<1>}	C[6a](Ge[3x6]N[5a,6,6]2O[6]2)(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	N[5a,6,6](Ge[3x6]N[5a,6,6]C[6a]O[6]2)(C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,8|C<3>}	105.9288	12.424	2	105.9288	154.361	2	105.9288	154.361	2	105.9288	154.361	2	105.9288	154.361	2	105.9288	154.361	2
242	790	813	0:SPD5_SP-NON_SP2	Ge[3x6]	Cl	N[5a,6,6]	3:3:2:2:1:	5:	5:3:3:	N[5a,6,6]-3:N[5a,6,6]-3:O[6]-2:O[6]-2:Cl-1:	Ge[3x6]-5:	Ge[3x6]-5:C[5a,6]-3:C[5a,6]-3:	Ge[3x6](N[5a,6,6]C[5a,6]2)2(O[6]C[6,6a])2(Cl)	Cl(Ge[3x6]N[5a,6,6]2O[6]2)	N[5a,6,6](Ge[3x6]N[5a,6,6]O[6]2Cl)(C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a]C[6])	Ge[3x6](N[5a,6,6]C[5a,6]2)2(O[6]C[6,6a])2(Cl){9|C<3>}	Cl(Ge[3x6]N[5a,6,6]2O[6]2)	N[5a,6,6](Ge[3x6]N[5a,6,6]O[6]2Cl)(C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,6|C<3>}	102.4138	10.176	4	102.4138	103.548	4	102.4138	103.548	4	102.4138	103.548	4	102.4138	103.548	4	102.4138	103.548	4
242	813	813	0:SPD5_SP2_SP2	Ge[4x6]	N[5a,6,6]	N[5a,6,6]	3:3:3:3:3:	5:3:3:	5:3:3:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:N[6]-3:	Ge[4x6]-5:C[5a,6]-3:C[5a,6]-3:	Ge[4x6]-5:C[5a,6]-3:C[5a,6]-3:	Ge[4x6](N[5a,6,6]C[5a,6]2)4(N[6]C[6]2)	N[5a,6,6](Ge[4x6]N[5a,6,6]3N[6])(C[5a,6]C[5a]C[6])2	N[5a,6,6](Ge[4x6]N[5a,6,6]3N[6])(C[5a,6]C[5a]C[6])2	Ge[4x6](N[5a,6,6]C[5a,6]2)4(N[6]C[6]2){14|C<3>,2|H<1>}	N[5a,6,6](Ge[4x6]N[5a,6,6]3N[6])(C[5a,6]C[5a]C[6])2{10|C<3>,2|H<1>}	N[5a,6,6](Ge[4x6]N[5a,6,6]3N[6])(C[5a,6]C[5a]C[6])2{10|C<3>,2|H<1>}	178.8790	0.344	2	178.8790	0.118	2	178.8790	0.118	2	178.8790	0.118	2	178.8790	0.118	2	178.8790	0.118	2
242	813	813	6:SPD5_SP2_SP2	Ge[3x6]	N[5a,6,6]	N[5a,6,6]	3:3:2:2:1:	5:3:3:	5:3:3:	N[5a,6,6]-3:N[5a,6,6]-3:O[6]-2:O[6]-2:Cl-1:	Ge[3x6]-5:C[5a,6]-3:C[5a,6]-3:	Ge[3x6]-5:C[5a,6]-3:C[5a,6]-3:	Ge[3x6](N[5a,6,6]C[5a,6]2)2(O[6]C[6,6a])2(Cl)	N[5a,6,6](Ge[3x6]N[5a,6,6]O[6]2Cl)(C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a]C[6])	N[5a,6,6](Ge[3x6]N[5a,6,6]O[6]2Cl)(C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a]C[6])	Ge[3x6](N[5a,6,6]C[5a,6]2)2(O[6]C[6,6a])2(Cl){9|C<3>}	N[5a,6,6](Ge[3x6]N[5a,6,6]O[6]2Cl)(C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,6|C<3>}	N[5a,6,6](Ge[3x6]N[5a,6,6]O[6]2Cl)(C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,6|C<3>}	89.4286	0.660	2	89.4286	0.435	2	89.4286	0.435	2	89.4286	0.435	2	88.9938	0.785	3	89.5711	0.614	7
242	813	813	6:SPD5_SP2_SP2	Ge[3x6]	N[5a,6,6]	N[5a,6,6]	3:3:3:2:2:	5:3:3:	5:3:3:	N[5a,6,6]-3:N[5a,6,6]-3:C[6a]-3:O[6]-2:O[6]-2:	Ge[3x6]-5:C[5a,6]-3:C[5a,6]-3:	Ge[3x6]-5:C[5a,6]-3:C[5a,6]-3:	Ge[3x6](N[5a,6,6]C[5a,6]2)2(C[6a]C[6a]2)(O[6]C[6,6a])2	N[5a,6,6](Ge[3x6]N[5a,6,6]C[6a]O[6]2)(C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a]C[6])	N[5a,6,6](Ge[3x6]N[5a,6,6]C[6a]O[6]2)(C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a]C[6])	Ge[3x6](N[5a,6,6]C[5a,6]2)2(C[6a]C[6a]2)(O[6]C[6,6a])2{11|C<3>,2|H<1>}	N[5a,6,6](Ge[3x6]N[5a,6,6]C[6a]O[6]2)(C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,8|C<3>}	N[5a,6,6](Ge[3x6]N[5a,6,6]C[6a]O[6]2)(C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,8|C<3>}	88.1241	0.000	1	88.1241	0.000	1	88.1241	0.000	1	88.1241	0.000	1	88.9938	0.785	3	89.5711	0.614	7
242	813	813	6:SPD5_SP2_SP2	Ge[4x6]	N[5a,6,6]	N[5a,6,6]	3:3:3:3:3:	5:3:3:	5:3:3:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:N[6]-3:	Ge[4x6]-5:C[5a,6]-3:C[5a,6]-3:	Ge[4x6]-5:C[5a,6]-3:C[5a,6]-3:	Ge[4x6](N[5a,6,6]C[5a,6]2)4(N[6]C[6]2)	N[5a,6,6](Ge[4x6]N[5a,6,6]3N[6])(C[5a,6]C[5a]C[6])2	N[5a,6,6](Ge[4x6]N[5a,6,6]3N[6])(C[5a,6]C[5a]C[6])2	Ge[4x6](N[5a,6,6]C[5a,6]2)4(N[6]C[6]2){14|C<3>,2|H<1>}	N[5a,6,6](Ge[4x6]N[5a,6,6]3N[6])(C[5a,6]C[5a]C[6])2{10|C<3>,2|H<1>}	N[5a,6,6](Ge[4x6]N[5a,6,6]3N[6])(C[5a,6]C[5a]C[6])2{10|C<3>,2|H<1>}	90.0041	0.348	4	90.0041	0.121	4	90.0041	0.121	4	90.0041	0.121	4	90.0041	0.121	4	89.5711	0.614	7
242	813	856	0:SPD5_SP2_SP2	Ge[4x6]	N[5a,6,6]	N[6]	3:3:3:3:3:	5:3:3:	5:3:3:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:N[6]-3:	Ge[4x6]-5:C[5a,6]-3:C[5a,6]-3:	Ge[4x6]-5:C[6]-3:C[6]-3:	Ge[4x6](N[5a,6,6]C[5a,6]2)4(N[6]C[6]2)	N[5a,6,6](Ge[4x6]N[5a,6,6]3N[6])(C[5a,6]C[5a]C[6])2	N[6](Ge[4x6]N[5a,6,6]4)(C[6]C[6]H)2	Ge[4x6](N[5a,6,6]C[5a,6]2)4(N[6]C[6]2){14|C<3>,2|H<1>}	N[5a,6,6](Ge[4x6]N[5a,6,6]3N[6])(C[5a,6]C[5a]C[6])2{10|C<3>,2|H<1>}	N[6](Ge[4x6]N[5a,6,6]4)(C[6]C[6]H)2{2|H<1>,9|C<3>}	89.8370	1.492	4	89.8370	2.225	4	89.8370	2.225	4	89.8370	2.225	4	89.8370	2.225	4	89.8370	2.225	4
246	3	542	0:SP3_SP2_SP2	P[5]	B[5a]	N[5]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:B[5a]-3:	N[5a]-3:N[5a]-3:P[5]-3:	P[5]-3:C[6a]-3:C[5]-3:	P[5](N[5]C[6a]C[5])2(B[5a]N[5a]2)	B[5a](N[5a]C[5a]C[6a])2(P[5]N[5]2)	N[5](P[5]B[5a]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	P[5](N[5]C[6a]C[5])2(B[5a]N[5a]2){2|H<1>,8|C<3>}	B[5a](N[5a]C[5a]C[6a])2(P[5]N[5]2){2|H<1>,8|C<3>}	N[5](P[5]B[5a]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,2|C<4>,2|N<3>,3|C<3>}	100.6994	1.623	2	100.6994	2.634	2	100.6994	2.634	2	100.6994	2.634	2	99.5674	2.863	4	99.5674	2.863	4
246	3	542	0:SP3_SP2_SP2	P[5]	B[5a]	N[5]	3:3:3:	3:3:3:	3:3:4:	B[5a]-3:N[5]-3:N[5]-3:	N[5a]-3:N[5a]-3:P[5]-3:	P[5]-3:C[5]-3:C-4:	P[5](B[5a]N[5a]2)(N[5]C[5]C)2	B[5a](N[5a]C[5a]C[6a])2(P[5]N[5]2)	N[5](P[5]B[5a]N[5])(C[5]C[5]H)(CC3)	P[5](B[5a]N[5a]2)(N[5]C[5]C)2{2|H<1>,4|C<3>}	B[5a](N[5a]C[5a]C[6a])2(P[5]N[5]2){2|C<4>,2|H<1>,6|C<3>}	N[5](P[5]B[5a]N[5])(C[5]C[5]H)(CC3){1|C<4>,1|H<1>,2|N<3>}	98.4355	0.911	2	98.4355	0.831	2	98.4355	0.831	2	98.4355	0.831	2	99.5674	2.863	4	99.5674	2.863	4
246	14	246	6:SP3_SP3_SP3	P[5,6]	P[6,6]	P[5,6]	3:3:4:	3:4:4:	3:4:4:	P[6,6]-3:P[5,6]-3:Si[5]-4:	P[5,6]-3:Si[6,6]-4:Si[6]-4:	P[5,6]-3:Si[6]-4:Si[5]-4:	P[5,6](P[6,6]Si[6,6]Si[6])(P[5,6]Si[5]Si[6])(Si[5]O[5]CC)	P[6,6](P[5,6]P[5,6]Si[5])(Si[6,6]P[6,6]CC)(Si[6]O[6]CC)	P[5,6](P[5,6]P[6,6]Si[5])(Si[6]P[6,6]CC)(Si[5]O[5]CC)	P[5,6](P[6,6]Si[6,6]Si[6])(P[5,6]Si[5]Si[6])(Si[5]O[5]CC){1|O<2>,1|P<3>,8|C<4>}	P[6,6](P[5,6]P[5,6]Si[5])(Si[6,6]P[6,6]CC)(Si[6]O[6]CC){3|Si<4>,1|O<2>,2|C<4>}	P[5,6](P[5,6]P[6,6]Si[5])(Si[6]P[6,6]CC)(Si[5]O[5]CC){3|Si<4>,2|C<4>}	110.1640	0.000	1	110.1640	0.000	1	110.1640	0.000	1	110.1640	0.000	1	110.1640	0.000	1	110.1640	0.000	1
246	14	562	0:SP3_SP3_SP3	P[5,6]	P[6,6]	Si[5]	3:3:4:	3:4:4:	3:2:4:4:	P[6,6]-3:P[5,6]-3:Si[5]-4:	P[5,6]-3:Si[6,6]-4:Si[6]-4:	P[5,6]-3:O[5]-2:C-4:C-4:	P[5,6](P[6,6]Si[6,6]Si[6])(P[5,6]Si[5]Si[6])(Si[5]O[5]CC)	P[6,6](P[5,6]P[5,6]Si[5])(Si[6,6]P[6,6]CC)(Si[6]O[6]CC)	Si[5](P[5,6]P[5,6]P[6,6])(O[5]Si[5])(CCCH)2	P[5,6](P[6,6]Si[6,6]Si[6])(P[5,6]Si[5]Si[6])(Si[5]O[5]CC){1|O<2>,1|P<3>,8|C<4>}	P[6,6](P[5,6]P[5,6]Si[5])(Si[6,6]P[6,6]CC)(Si[6]O[6]CC){3|Si<4>,1|O<2>,2|C<4>}	Si[5](P[5,6]P[5,6]P[6,6])(O[5]Si[5])(CCCH)2{3|Si<4>,2|C<4>}	109.9780	0.000	1	109.9780	0.000	1	109.9780	0.000	1	109.9780	0.000	1	109.9780	0.000	1	109.9780	0.000	1
246	98	490	0:SP3_SP2_SP3	P[5]	As[5]	C	3:3:4:	3:3:3:	3:4:4:1:	C[5,6a]-3:As[5]-3:C-4:	C[5,6a]-3:P[5]-3:C[6a]-3:	P[5]-3:C-4:C-4:H-1:	P[5](C[5,6a]C[5,6a,6a]C[6a])(As[5]C[5,6a]C[6a])(CCCH)	As[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]C)(C[6a]C[6a]2)	C(P[5]C[5,6a]As[5])(CH3)2(H)	P[5](C[5,6a]C[5,6a,6a]C[6a])(As[5]C[5,6a]C[6a])(CCCH){1|H<1>,5|C<3>}	As[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]C)(C[6a]C[6a]2){3|H<1>,5|C<3>}	C(P[5]C[5,6a]As[5])(CH3)2(H)	103.8285	0.012	2	103.8285	0.000	2	103.8285	0.000	2	103.8285	0.000	2	103.8285	0.000	2	103.8285	0.000	2
246	98	727	5:SP3_SP2_SP2	P[5]	As[5]	C[5,6a]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:As[5]-3:C-4:	C[5,6a]-3:P[5]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:P[5]-3:	P[5](C[5,6a]C[5,6a,6a]C[6a])(As[5]C[5,6a]C[6a])(CCCH)	As[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]C)(C[6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]As[5]C)	P[5](C[5,6a]C[5,6a,6a]C[6a])(As[5]C[5,6a]C[6a])(CCCH){1|H<1>,5|C<3>}	As[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]C)(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]As[5]C){1|H<1>,4|C<3>}	94.2600	0.280	2	94.2600	0.079	2	94.2600	0.079	2	94.2600	0.079	2	94.2600	0.079	2	94.2600	0.079	2
246	246	246	5:SP3_SP3_SP3	P[3x5,4x6]	P[3x5,6,6]	P[3x5,6,6]	3:3:3:	3:3:3:	3:3:3:	P[3x5,6,6]-3:P[3x5,6,6]-3:P[3x5,4x6]-3:	P[3x5,4x6]-3:P[4x5,6,6]-3:C[5,6,6a]-3:	P[3x5,4x6]-3:P[4x5,6,6]-3:C[5,6,6a]-3:	P[3x5,4x6](P[3x5,6,6]P[4x5,6,6]C[5,6,6a])2(P[3x5,4x6]P[3x5,6,6]2)	P[3x5,6,6](P[3x5,4x6]P[3x5,4x6]P[3x5,6,6])(P[4x5,6,6]P[3x5,6,6]P[4x5,6,6])(C[5,6,6a]C[5,6,6a]C[6a])	P[3x5,6,6](P[3x5,4x6]P[3x5,4x6]P[3x5,6,6])(P[4x5,6,6]P[3x5,6,6]P[4x5,6,6])(C[5,6,6a]C[5,6,6a]C[6a])	P[3x5,4x6](P[3x5,6,6]P[4x5,6,6]C[5,6,6a])2(P[3x5,4x6]P[3x5,6,6]2){4|C<3>}	P[3x5,6,6](P[3x5,4x6]P[3x5,4x6]P[3x5,6,6])(P[4x5,6,6]P[3x5,6,6]P[4x5,6,6])(C[5,6,6a]C[5,6,6a]C[6a]){1|H<1>,1|P<3>,3|C<3>}	P[3x5,6,6](P[3x5,4x6]P[3x5,4x6]P[3x5,6,6])(P[4x5,6,6]P[3x5,6,6]P[4x5,6,6])(C[5,6,6a]C[5,6,6a]C[6a]){1|H<1>,1|P<3>,3|C<3>}	87.2540	0.860	4	87.2540	0.740	4	87.2540	0.740	4	87.2540	0.740	4	87.2540	0.740	4	99.2922	42.200	61
246	246	246	5:SP3_SP3_SP3	P[3x5,6,6]	P[3x5,4x6]	P[4x5,6,6]	3:3:3:	3:3:3:	3:3:3:	P[3x5,4x6]-3:P[4x5,6,6]-3:C[5,6,6a]-3:	P[3x5,6,6]-3:P[3x5,6,6]-3:P[3x5,4x6]-3:	P[3x5,6,6]-3:P[3x5,6,6]-3:P[4x5,6,6]-3:	P[3x5,6,6](P[3x5,4x6]P[3x5,4x6]P[3x5,6,6])(P[4x5,6,6]P[3x5,6,6]P[4x5,6,6])(C[5,6,6a]C[5,6,6a]C[6a])	P[3x5,4x6](P[3x5,6,6]P[4x5,6,6]C[5,6,6a])2(P[3x5,4x6]P[3x5,6,6]2)	P[4x5,6,6](P[3x5,6,6]P[3x5,4x6]C[5,6,6a])2(P[4x5,6,6]P[3x5,6,6]2)	P[3x5,6,6](P[3x5,4x6]P[3x5,4x6]P[3x5,6,6])(P[4x5,6,6]P[3x5,6,6]P[4x5,6,6])(C[5,6,6a]C[5,6,6a]C[6a]){1|H<1>,1|P<3>,3|C<3>}	P[3x5,4x6](P[3x5,6,6]P[4x5,6,6]C[5,6,6a])2(P[3x5,4x6]P[3x5,6,6]2){4|C<3>}	P[4x5,6,6](P[3x5,6,6]P[3x5,4x6]C[5,6,6a])2(P[4x5,6,6]P[3x5,6,6]2){4|C<3>}	99.6687	0.524	4	99.6687	0.275	4	99.6687	0.275	4	99.6687	0.275	4	99.6687	0.275	4	99.2922	42.200	61
246	246	246	5:SP3_SP3_SP3	P[3x5,6]	P[5,5,6]	P[5,5,6]	3:3:4:	3:3:3:	3:3:3:	P[5,5,6]-3:P[5,5,6]-3:Ga[5,5,6]-4:	P[3x5,6]-3:P[5,5,6]-3:P[3,5,5]-3:	P[3x5,6]-3:P[5,5,6]-3:P[3,5,5]-3:	P[3x5,6](P[5,5,6]P[3,5,5]P[5,5,6])2(Ga[5,5,6]P[3,5,5]N[6]2)	P[5,5,6](P[3x5,6]Ga[5,5,6]P[5,5,6])(P[5,5,6]P[3,5,5]P[3x5,6])(P[3,5,5]P[3,5,5]2)	P[5,5,6](P[3x5,6]Ga[5,5,6]P[5,5,6])(P[5,5,6]P[3,5,5]P[3x5,6])(P[3,5,5]P[3,5,5]2)	P[3x5,6](P[5,5,6]P[3,5,5]P[5,5,6])2(Ga[5,5,6]P[3,5,5]N[6]2){3|P<3>,4|C<3>}	P[5,5,6](P[3x5,6]Ga[5,5,6]P[5,5,6])(P[5,5,6]P[3,5,5]P[3x5,6])(P[3,5,5]P[3,5,5]2){1|Ga<4>,2|N<3>,3|P<3>}	P[5,5,6](P[3x5,6]Ga[5,5,6]P[5,5,6])(P[5,5,6]P[3,5,5]P[3x5,6])(P[3,5,5]P[3,5,5]2){1|Ga<4>,2|N<3>,3|P<3>}	103.8010	0.324	2	103.8010	0.105	2	103.8010	0.105	2	103.8010	0.105	2	103.8010	0.105	2	99.2922	42.200	61
246	246	246	5:SP3_SP3_SP3	P[3x5]	P[5,5]	P[5,5]	4:3:3:	3:3:4:	3:3:4:	Ga[5,5,6]-4:P[5,5]-3:P[5,5]-3:	P[3x5]-3:P[3,5,5]-3:Ga[6]-4:	P[3x5]-3:P[3,5,5]-3:C-4:	P[3x5](Ga[5,5,6]P[3,5,5]N[6]2)(P[5,5]P[3,5,5]Ga[6])(P[5,5]P[3,5,5]C)	P[5,5](P[3x5]Ga[5,5,6]P[5,5])(P[3,5,5]P[3,5,5]2)(Ga[6]N[6]2Cl)	P[5,5](P[3x5]Ga[5,5,6]P[5,5])(P[3,5,5]P[3,5,5]2)(CH3)	P[3x5](Ga[5,5,6]P[3,5,5]N[6]2)(P[5,5]P[3,5,5]Ga[6])(P[5,5]P[3,5,5]C){1|Cl<1>,2|N<3>,4|C<3>}	P[5,5](P[3x5]Ga[5,5,6]P[5,5])(P[3,5,5]P[3,5,5]2)(Ga[6]N[6]2Cl){1|C<4>,2|N<3>,4|C<3>}	P[5,5](P[3x5]Ga[5,5,6]P[5,5])(P[3,5,5]P[3,5,5]2)(CH3){1|Ga<4>,2|N<3>}	91.0209	0.000	1	91.0209	0.000	1	90.8835	0.038	2	90.8835	0.038	2	90.8835	0.038	2	99.2922	42.200	61
246	246	246	5:SP3_SP3_SP3	P[3x5]	P[5,5]	P[5,5]	4:3:3:	3:3:4:	3:3:4:	Ga[5,5,6]-4:P[5,5]-3:P[5,5]-3:	P[3x5]-3:P[3,5,5]-3:Ga[6]-4:	P[3x5]-3:P[3,5,5]-3:C-4:	P[3x5](Ga[5,5,6]P[3,5,5]N[6]2)(P[5,5]P[3,5,5]Ga[6])(P[5,5]P[3,5,5]C)	P[5,5](P[3x5]Ga[5,5,6]P[5,5])(P[3,5,5]P[3,5,5]2)(Ga[6]N[6]2O)	P[5,5](P[3x5]Ga[5,5,6]P[5,5])(P[3,5,5]P[3,5,5]2)(CH3)	P[3x5](Ga[5,5,6]P[3,5,5]N[6]2)(P[5,5]P[3,5,5]Ga[6])(P[5,5]P[3,5,5]C){1|O<2>,2|N<3>,4|C<3>}	P[5,5](P[3x5]Ga[5,5,6]P[5,5])(P[3,5,5]P[3,5,5]2)(Ga[6]N[6]2O){1|C<4>,2|N<3>,4|C<3>}	P[5,5](P[3x5]Ga[5,5,6]P[5,5])(P[3,5,5]P[3,5,5]2)(CH3){1|Ga<4>,2|N<3>}	90.7462	0.000	1	90.7462	0.000	1	90.8835	0.038	2	90.8835	0.038	2	90.8835	0.038	2	99.2922	42.200	61
246	246	246	5:SP3_SP3_SP3	P[4x5,6,6]	P[3x5,6,6]	P[3x5,6,6]	3:3:3:	3:3:3:	3:3:3:	P[3x5,6,6]-3:P[3x5,6,6]-3:P[4x5,6,6]-3:	P[3x5,4x6]-3:P[4x5,6,6]-3:C[5,6,6a]-3:	P[3x5,4x6]-3:P[4x5,6,6]-3:C[5,6,6a]-3:	P[4x5,6,6](P[3x5,6,6]P[3x5,4x6]C[5,6,6a])2(P[4x5,6,6]P[3x5,6,6]2)	P[3x5,6,6](P[3x5,4x6]P[3x5,4x6]P[3x5,6,6])(P[4x5,6,6]P[3x5,6,6]P[4x5,6,6])(C[5,6,6a]C[5,6,6a]C[6a])	P[3x5,6,6](P[3x5,4x6]P[3x5,4x6]P[3x5,6,6])(P[4x5,6,6]P[3x5,6,6]P[4x5,6,6])(C[5,6,6a]C[5,6,6a]C[6a])	P[4x5,6,6](P[3x5,6,6]P[3x5,4x6]C[5,6,6a])2(P[4x5,6,6]P[3x5,6,6]2){4|C<3>}	P[3x5,6,6](P[3x5,4x6]P[3x5,4x6]P[3x5,6,6])(P[4x5,6,6]P[3x5,6,6]P[4x5,6,6])(C[5,6,6a]C[5,6,6a]C[6a]){1|H<1>,1|P<3>,3|C<3>}	P[3x5,6,6](P[3x5,4x6]P[3x5,4x6]P[3x5,6,6])(P[4x5,6,6]P[3x5,6,6]P[4x5,6,6])(C[5,6,6a]C[5,6,6a]C[6a]){1|H<1>,1|P<3>,3|C<3>}	92.8170	0.431	4	92.8170	0.186	4	92.8170	0.186	4	92.8170	0.186	4	92.8170	0.186	4	99.2922	42.200	61
246	246	246	5:SP3_SP3_SP3	P[4x5]	P[3x5,6]	P[3x5,6]	3:3:3:	3:3:3:	3:3:3:	P[3x5,6]-3:P[3x5,6]-3:P[5,5]-3:	P[3,5,5,6]-3:P[3,5,6]-3:P[4x5]-3:	P[3,5,5,6]-3:P[3,5,6]-3:P[4x5]-3:	P[4x5](P[3x5,6]P[3,5,5,6]P[3,5,6])2(P[5,5]P[3,5,5]P)	P[3x5,6](P[3,5,5,6]P[3,5,5,6]P[3,5,5])(P[3,5,6]P[3,5,6]P[3])(P[4x5]P[3x5,6]P[5,5])	P[3x5,6](P[3,5,5,6]P[3,5,5,6]P[3,5,5])(P[3,5,6]P[3,5,6]P[3])(P[4x5]P[3x5,6]P[5,5])	P[4x5](P[3x5,6]P[3,5,5,6]P[3,5,6])2(P[5,5]P[3,5,5]P){1|P<3>}	P[3x5,6](P[3,5,5,6]P[3,5,5,6]P[3,5,5])(P[3,5,6]P[3,5,6]P[3])(P[4x5]P[3x5,6]P[5,5]){2|P<2>}	P[3x5,6](P[3,5,5,6]P[3,5,5,6]P[3,5,5])(P[3,5,6]P[3,5,6]P[3])(P[4x5]P[3x5,6]P[5,5]){2|P<2>}	99.8361	0.000	1	99.8361	0.000	1	99.8361	0.000	1	99.8361	0.000	1	100.4250	0.694	2	99.2922	42.200	61
246	246	246	5:SP3_SP3_SP3	P[4x5]	P[3x5,6]	P[3x5,6]	3:3:4:	3:3:3:	3:3:3:	P[3x5,6]-3:P[3x5,6]-3:C[5,5]-4:	P[3,5,5,6]-3:P[3,5,6]-3:P[4x5]-3:	P[3,5,5,6]-3:P[3,5,6]-3:P[4x5]-3:	P[4x5](P[3x5,6]P[3,5,5,6]P[3,5,6])2(C[5,5]P[3,5,5]C[6a]2)	P[3x5,6](P[3,5,5,6]P[3,5,5,6]P[3,5,5])(P[3,5,6]P[3,5,6]Nb[3])(P[4x5]P[3x5,6]C[5,5])	P[3x5,6](P[3,5,5,6]P[3,5,5,6]P[3,5,5])(P[3,5,6]P[3,5,6]Nb[3])(P[4x5]P[3x5,6]C[5,5])	P[4x5](P[3x5,6]P[3,5,5,6]P[3,5,6])2(C[5,5]P[3,5,5]C[6a]2){1|Nb<5>,4|C<3>}	P[3x5,6](P[3,5,5,6]P[3,5,5,6]P[3,5,5])(P[3,5,6]P[3,5,6]Nb[3])(P[4x5]P[3x5,6]C[5,5]){2|C<3>,3|O<2>}	P[3x5,6](P[3,5,5,6]P[3,5,5,6]P[3,5,5])(P[3,5,6]P[3,5,6]Nb[3])(P[4x5]P[3x5,6]C[5,5]){2|C<3>,3|O<2>}	101.0140	0.000	1	101.0140	0.000	1	101.0140	0.000	1	101.0140	0.000	1	100.4250	0.694	2	99.2922	42.200	61
246	246	246	5:SP3_SP3_SP3	P[4x5]	P[3x5,6]	P[5,5]	3:3:3:	3:3:3:	3:3:2:	P[3x5,6]-3:P[3x5,6]-3:P[5,5]-3:	P[3,5,5,6]-3:P[3,5,6]-3:P[4x5]-3:	P[3,5,5]-3:P[4x5]-3:P-2:	P[4x5](P[3x5,6]P[3,5,5,6]P[3,5,6])2(P[5,5]P[3,5,5]P)	P[3x5,6](P[3,5,5,6]P[3,5,5,6]P[3,5,5])(P[3,5,6]P[3,5,6]P[3])(P[4x5]P[3x5,6]P[5,5])	P[5,5](P[3,5,5]P[3,5,5,6]2)(P[4x5]P[3x5,6]2)(PC[5])	P[4x5](P[3x5,6]P[3,5,5,6]P[3,5,6])2(P[5,5]P[3,5,5]P){1|P<3>}	P[3x5,6](P[3,5,5,6]P[3,5,5,6]P[3,5,5])(P[3,5,6]P[3,5,6]P[3])(P[4x5]P[3x5,6]P[5,5]){2|P<2>}	P[5,5](P[3,5,5]P[3,5,5,6]2)(P[4x5]P[3x5,6]2)(PC[5]){2|P<3>}	97.5462	5.683	2	97.5462	32.302	2	97.5462	32.302	2	97.5462	32.302	2	97.5462	32.302	2	99.2922	42.200	61
246	246	246	5:SP3_SP3_SP3	P[5,5,6]	P[5,5,6]	P[3x5,6]	3:3:3:	3:3:3:	3:3:4:	P[3x5,6]-3:P[5,5,6]-3:P[3,5,5]-3:	P[3x5,6]-3:P[5,5,6]-3:P[3,5,5]-3:	P[5,5,6]-3:P[5,5,6]-3:Ga[5,5,6]-4:	P[5,5,6](P[3x5,6]Ga[5,5,6]P[5,5,6])(P[5,5,6]P[3,5,5]P[3x5,6])(P[3,5,5]P[3,5,5]2)	P[5,5,6](P[3x5,6]Ga[5,5,6]P[5,5,6])(P[5,5,6]P[3,5,5]P[3x5,6])(P[3,5,5]P[3,5,5]2)	P[3x5,6](P[5,5,6]P[3,5,5]P[5,5,6])2(Ga[5,5,6]P[3,5,5]N[6]2)	P[5,5,6](P[3x5,6]Ga[5,5,6]P[5,5,6])(P[5,5,6]P[3,5,5]P[3x5,6])(P[3,5,5]P[3,5,5]2){1|Ga<4>,2|N<3>,3|P<3>}	P[5,5,6](P[3x5,6]Ga[5,5,6]P[5,5,6])(P[5,5,6]P[3,5,5]P[3x5,6])(P[3,5,5]P[3,5,5]2){1|Ga<4>,2|N<3>,3|P<3>}	P[3x5,6](P[5,5,6]P[3,5,5]P[5,5,6])2(Ga[5,5,6]P[3,5,5]N[6]2){3|P<3>,4|C<3>}	107.8330	1.059	4	107.8330	1.121	4	107.8330	1.121	4	107.8330	1.121	4	107.8330	1.121	4	99.2922	42.200	61
246	246	246	5:SP3_SP3_SP3	P[5]	P[5]	P[5]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:P[5]-3:P[5]-3:	C[6a]-3:P[5]-3:P[5]-3:	C[6a]-3:P[5]-3:P[5]-3:	P[5](C[6a]C[6a]N[6a])(P[5]C[6a]P[5])2	P[5](C[6a]C[6a]N[6a])(P[5]C[6a]P[5])2	P[5](C[6a]C[6a]N[6a])(P[5]C[6a]P[5])2	P[5](C[6a]C[6a]N[6a])(P[5]C[6a]P[5])2{1|H<1>,2|N<2>,6|C<3>}	P[5](C[6a]C[6a]N[6a])(P[5]C[6a]P[5])2{1|H<1>,2|N<2>,6|C<3>}	P[5](C[6a]C[6a]N[6a])(P[5]C[6a]P[5])2{1|H<1>,2|N<2>,6|C<3>}	99.8080	4.637	5	99.8080	21.501	5	99.8080	21.501	5	99.8080	21.501	5	100.5736	33.353	37	99.2922	42.200	61
246	246	246	5:SP3_SP3_SP3	P[5]	P[5]	P[5]	3:3:3:	3:3:3:	4:3:3:	P[5]-3:P[5]-3:C[6a]-3:	P[5]-3:P[5]-3:C[6a]-3:	Ga[5,5]-4:P[5]-3:C[6a]-3:	P[5](P[5]Ga[5,5]C[6a])(P[5]C[6a]P[5])(C[6a]C[6a]2)	P[5](P[5]Ga[5,5]C[6a])(P[5]C[6a]P[5])(C[6a]C[6a]2)	P[5](Ga[5,5]N[5]2P[5])(P[5]C[6a]P[5])(C[6a]C[6a]2)	P[5](P[5]Ga[5,5]C[6a])(P[5]C[6a]P[5])(C[6a]C[6a]2){2|H<1>,2|N<3>,7|C<3>}	P[5](P[5]Ga[5,5]C[6a])(P[5]C[6a]P[5])(C[6a]C[6a]2){2|H<1>,2|N<3>,7|C<3>}	P[5](Ga[5,5]N[5]2P[5])(P[5]C[6a]P[5])(C[6a]C[6a]2){10|C<3>,2|H<1>}	97.8448	8.282	2	97.8448	68.589	2	97.8448	68.589	2	97.8448	68.589	2	100.5736	33.353	37	99.2922	42.200	61
246	246	246	5:SP3_SP3_SP3	P[5]	P[5]	P[5]	3:3:3:	3:3:4:	3:3:3:	P[5]-3:P[5]-3:C[6a]-3:	P[5]-3:C[6a]-3:P[5]-4:	P[5]-3:P[5]-3:C[6a]-3:	P[5](P[5]C[6a]P[5])2(C[6a]C[6a]2)	P[5](P[5]C[6a]P[5])(C[6a]C[6a]2)(P[5]P[5]CC)	P[5](P[5]C[6a]P[5])2(C[6a]C[6a]2)	P[5](P[5]C[6a]P[5])2(C[6a]C[6a]2){2|C<4>,2|H<1>,7|C<3>}	P[5](P[5]C[6a]P[5])(C[6a]C[6a]2)(P[5]P[5]CC){2|H<1>,6|C<3>}	P[5](P[5]C[6a]P[5])2(C[6a]C[6a]2){2|C<4>,2|H<1>,7|C<3>}	102.6266	8.272	2	102.6266	68.432	2	102.6266	68.432	2	102.6266	68.432	2	100.5736	33.353	37	99.2922	42.200	61
246	246	246	5:SP3_SP3_SP3	P[5]	P[5]	P[5]	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:P[5]-3:P[5]-3:	P[5]-3:C[6a]-3:C[5]-4:	P[5]-3:C[6a]-3:C[5]-4:	P[5](C[6a]C[6a]N[6a])(P[5]C[6a]C[5])2	P[5](P[5]C[6a]P[5])(C[6a]C[6a]2)(C[5]C[5]HH)	P[5](P[5]C[6a]P[5])(C[6a]C[6a]2)(C[5]C[5]HH)	P[5](C[6a]C[6a]N[6a])(P[5]C[6a]C[5])2{5|H<1>,6|C<3>}	P[5](P[5]C[6a]P[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|N<2>,4|C<3>,4|H<1>}	P[5](P[5]C[6a]P[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|N<2>,4|C<3>,4|H<1>}	97.1570	0.000	1	97.1570	0.000	1	97.1570	0.000	1	97.1570	0.000	1	100.5736	33.353	37	99.2922	42.200	61
246	246	246	5:SP3_SP3_SP3	P[5]	P[5]	P[5]	3:3:3:	3:3:4:	4:3:3:	P[5]-3:P[5]-3:C[6a]-3:	P[5]-3:C[6a]-3:C[5]-4:	P[5]-4:P[5]-3:C[6a]-3:	P[5](P[5]C[6a]C[5])(P[5]C[6a]P[5])(C[6a]C[6a]2)	P[5](P[5]C[6a]P[5])(C[6a]C[6a]2)(C[5]P[5]HH)	P[5](P[5]C[6a]C[5]Os)(P[5]C[6a]P[5])(C[6a]C[6a]2)	P[5](P[5]C[6a]C[5])(P[5]C[6a]P[5])(C[6a]C[6a]2){1|Os<4>,4|H<1>,7|C<3>}	P[5](P[5]C[6a]P[5])(C[6a]C[6a]2)(C[5]P[5]HH){1|Os<4>,2|H<1>,6|C<3>}	P[5](P[5]C[6a]C[5]Os)(P[5]C[6a]P[5])(C[6a]C[6a]2){4|H<1>,7|C<3>}	103.4375	0.842	2	103.4375	0.709	2	103.4375	0.709	2	103.4375	0.709	2	100.5736	33.353	37	99.2922	42.200	61
246	246	246	5:SP3_SP3_SP3	P[5]	P[5]	P[5]	3:3:3:	3:4:3:	3:3:3:	P[5]-3:P[5]-3:P[5]-3:	C[6a]-3:C[5]-4:P[5]-3:	P[5]-3:P[5]-3:P[5]-3:	P[5](P[5]C[6a]C[5])2(P[5]P[5]2)	P[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]P[5]2)	P[5](P[5]C[6a]C[5])2(P[5]P[5]2)	P[5](P[5]C[6a]C[5])2(P[5]P[5]2){2|C<4>,4|H<1>,6|C<3>}	P[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]P[5]2){2|P<3>,3|C<3>,4|H<1>}	P[5](P[5]C[6a]C[5])2(P[5]P[5]2){2|C<4>,4|H<1>,6|C<3>}	94.3838	1.660	2	94.3838	2.754	2	94.3838	2.754	2	94.3838	2.754	2	100.5736	33.353	37	99.2922	42.200	61
246	246	246	5:SP3_SP3_SP3	P[5]	P[5]	P[5]	3:3:3:	3:4:3:	3:4:3:	P[5]-3:P[5]-3:P-3:	C[6a]-3:C[5]-4:P[5]-3:	C[6a]-3:C[5]-4:P[5]-3:	P[5](P[5]C[6a]C[5])2(PC[6a]C)	P[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]P[5]P)	P[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]P[5]P)	P[5](P[5]C[6a]C[5])2(PC[6a]C){4|C<3>,4|H<1>}	P[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]P[5]P){3|C<3>,4|H<1>}	P[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]P[5]P){3|C<3>,4|H<1>}	97.9751	0.000	1	97.9751	0.000	1	97.9751	0.000	1	97.8928	0.014	2	100.5736	33.353	37	99.2922	42.200	61
246	246	246	5:SP3_SP3_SP3	P[5]	P[5]	P[5]	3:3:3:	3:4:3:	3:4:3:	P[5]-3:P[5]-3:P[5]-3:	C[6a]-3:C[5]-4:P[5]-3:	C[6a]-3:C[5]-4:P[5]-3:	P[5](P[5]C[6a]C[5])2(P[5]P[5]2)	P[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]P[5]2)	P[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]P[5]2)	P[5](P[5]C[6a]C[5])2(P[5]P[5]2){2|C<4>,4|H<1>,6|C<3>}	P[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]P[5]2){2|P<3>,3|C<3>,4|H<1>}	P[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]P[5]2){2|P<3>,3|C<3>,4|H<1>}	97.8105	0.000	1	97.8105	0.000	1	97.8105	0.000	1	97.8928	0.014	2	100.5736	33.353	37	99.2922	42.200	61
246	246	246	5:SP3_SP3_SP3	P[5]	P[5]	P[5]	3:3:3:	4:3:3:	3:3:3:	P[5]-3:P[5]-3:C[6a]-3:	P[5]-4:P[5]-3:C[6a]-3:	P[5]-3:P[5]-3:C[6a]-3:	P[5](P[5]C[6a]P[5])2(C[6a]C[6a]2)	P[5](P[5]C[6a]2P[5])(P[5]C[6a]P[5])(C[6a]C[6a]2)	P[5](P[5]C[6a]P[5])2(C[6a]C[6a]2)	P[5](P[5]C[6a]P[5])2(C[6a]C[6a]2){2|H<1>,9|C<3>}	P[5](P[5]C[6a]2P[5])(P[5]C[6a]P[5])(C[6a]C[6a]2){10|C<3>,2|H<1>}	P[5](P[5]C[6a]P[5])2(C[6a]C[6a]2){2|H<1>,9|C<3>}	91.5725	2.845	2	91.5725	8.096	2	94.1622	36.051	4	94.1622	36.051	4	100.5736	33.353	37	99.2922	42.200	61
246	246	246	5:SP3_SP3_SP3	P[5]	P[5]	P[5]	3:3:3:	4:3:3:	3:3:3:	P[5]-3:P[5]-3:C[6a]-3:	P[5]-4:P[5]-3:C[6a]-3:	P[5]-3:P[5]-3:C[6a]-3:	P[5](P[5]C[6a]P[5])2(C[6a]C[6a]2)	P[5](P[5]C[6a]P[5]C)(P[5]C[6a]P[5])(C[6a]C[6a]2)	P[5](P[5]C[6a]P[5])2(C[6a]C[6a]2)	P[5](P[5]C[6a]P[5])2(C[6a]C[6a]2){1|C<4>,2|H<1>,8|C<3>}	P[5](P[5]C[6a]P[5]C)(P[5]C[6a]P[5])(C[6a]C[6a]2){2|H<1>,8|C<3>}	P[5](P[5]C[6a]P[5])2(C[6a]C[6a]2){1|C<4>,2|H<1>,8|C<3>}	96.7519	8.558	2	96.7519	73.232	2	94.1622	36.051	4	94.1622	36.051	4	100.5736	33.353	37	99.2922	42.200	61
246	246	246	5:SP3_SP3_SP3	P[5]	P[5]	P[5]	3:3:3:	4:3:3:	4:3:1:	P[5]-3:P[5]-3:C[5]-3:	C[5,5]-4:P[5]-3:C[5]-3:	C[5,5]-4:P[5]-3:H-1:	P[5](P[5]C[5,5]C[5])(P[5]C[5,5]H)(C[5]C[5]2)	P[5](C[5,5]C[5,5]C[5,6]H)(P[5]C[5]P[5])(C[5]C[5]2)	P[5](C[5,5]C[5,5]C[5]H)(P[5]C[5]P[5])(H)	P[5](P[5]C[5,5]C[5])(P[5]C[5,5]H)(C[5]C[5]2){1|C<4>,5|C<3>,5|H<1>}	P[5](C[5,5]C[5,5]C[5,6]H)(P[5]C[5]P[5])(C[5]C[5]2){1|C<4>,5|H<1>,6|C<3>}	P[5](C[5,5]C[5,5]C[5]H)(P[5]C[5]P[5])(H){1|C<4>,2|H<1>,4|C<3>}	96.4191	0.000	1	96.4191	0.000	1	96.4191	0.000	1	96.4191	0.000	1	100.5736	33.353	37	99.2922	42.200	61
246	246	246	5:SP3_SP3_SP3	P[5]	P[5]	P[5]	3:3:3:	4:3:3:	4:3:3:	P[5]-3:P[5]-3:C[6a]-3:	P[5]-4:P[5]-3:C[6a]-3:	P[5]-4:P[5]-3:C[6a]-3:	P[5](P[5]C[6a]P[5])2(C[6a]C[6a]2)	P[5](P[5]C[6a]P[5]B)(P[5]C[6a]P[5])(C[6a]C[6a]2)	P[5](P[5]C[6a]P[5]B)(P[5]C[6a]P[5])(C[6a]C[6a]2)	P[5](P[5]C[6a]P[5])2(C[6a]C[6a]2){2|B<4>,2|H<1>,8|C<3>}	P[5](P[5]C[6a]P[5]B)(P[5]C[6a]P[5])(C[6a]C[6a]2){1|B<4>,2|H<1>,8|C<3>}	P[5](P[5]C[6a]P[5]B)(P[5]C[6a]P[5])(C[6a]C[6a]2){1|B<4>,2|H<1>,8|C<3>}	96.3791	0.221	2	96.3791	0.049	2	96.3791	0.049	2	96.3791	0.049	2	100.5736	33.353	37	99.2922	42.200	61
246	246	246	5:SP3_SP3_SP3	P[5]	P[5]	P[5]	3:3:4:	3:3:4:	3:3:4:	P[5]-3:P[5]-3:C[5]-4:	P[5]-3:P[5]-3:C[5]-4:	P[5]-3:P[5]-3:C[5]-4:	P[5](P[5]C[5]P[5])2(C[5]C[5]2Fe)	P[5](P[5]C[5]P[5])2(C[5]C[5]2Fe)	P[5](P[5]C[5]P[5])2(C[5]C[5]2Fe)	P[5](P[5]C[5]P[5])2(C[5]C[5]2Fe){2|Fe<10>,2|H<1>,8|C<4>}	P[5](P[5]C[5]P[5])2(C[5]C[5]2Fe){2|Fe<10>,2|H<1>,8|C<4>}	P[5](P[5]C[5]P[5])2(C[5]C[5]2Fe){2|Fe<10>,2|H<1>,8|C<4>}	100.7199	5.260	5	100.7199	27.665	5	100.7199	27.665	5	102.5891	28.749	7	100.5736	33.353	37	99.2922	42.200	61
246	246	246	5:SP3_SP3_SP3	P[5]	P[5]	P[5]	3:3:4:	3:3:4:	3:3:4:	P[5]-3:P[5]-3:C[6]-4:	P[5]-3:P[5]-3:C[6]-4:	P[5]-3:As[5]-3:C[6]-4:	P[5](P[5]As[5]C[6])(P[5]C[6]P[5])(C[6]C[6]2H)	P[5](P[5]As[5]C[6])(P[5]C[6]P[5])(C[6]C[6]2H)	P[5](P[5]C[6]P[5])(As[5]P[5]Li)(C[6]C[6]2H)	P[5](P[5]As[5]C[6])(P[5]C[6]P[5])(C[6]C[6]2H){1|Li<4>,6|H<1>,7|C<4>}	P[5](P[5]As[5]C[6])(P[5]C[6]P[5])(C[6]C[6]2H){1|Li<4>,6|H<1>,7|C<4>}	P[5](P[5]C[6]P[5])(As[5]P[5]Li)(C[6]C[6]2H){5|H<1>,6|C<4>}	107.2620	0.833	2	107.2620	0.694	2	107.2620	0.694	2	102.5891	28.749	7	100.5736	33.353	37	99.2922	42.200	61
246	246	246	5:SP3_SP3_SP3	P[5]	P[5]	P[5]	3:3:4:	3:3:4:	3:4:2:	P[5]-3:P[5]-3:C[6]-4:	P[5]-3:P[5]-3:C[6]-4:	P[5]-3:C[6]-4:As[5]-2:	P[5](P[5]As[5]C[6])(P[5]C[6]P[5])(C[6]C[6]2H)	P[5](P[5]As[5]C[6])(P[5]C[6]P[5])(C[6]C[6]2H)	P[5](P[5]C[6]P[5])(C[6]C[6]2H)(As[5]P[5])	P[5](P[5]As[5]C[6])(P[5]C[6]P[5])(C[6]C[6]2H){6|H<1>,7|C<4>}	P[5](P[5]As[5]C[6])(P[5]C[6]P[5])(C[6]C[6]2H){6|H<1>,7|C<4>}	P[5](P[5]C[6]P[5])(C[6]C[6]2H)(As[5]P[5]){5|H<1>,6|C<4>}	107.4650	0.014	2	107.4650	0.000	2	107.4650	0.000	2	107.4650	0.000	2	100.5736	33.353	37	99.2922	42.200	61
246	246	246	5:SP3_SP3_SP3	P[5]	P[5]	P[5]	3:3:4:	3:4:4:	3:3:4:	P[5]-3:P[5]-3:C[6]-4:	P[5]-3:C[6]-4:P[5]-4:	P[5]-3:P[5]-3:C[6]-4:	P[5](P[5]C[6]P[5])2(C[6]C[6]2H)	P[5](P[5]C[6]P[5])(C[6]C[6]2H)(P[5]P[5]CC)	P[5](P[5]C[6]P[5])2(C[6]C[6]2H)	P[5](P[5]C[6]P[5])2(C[6]C[6]2H){6|H<1>,9|C<4>}	P[5](P[5]C[6]P[5])(C[6]C[6]2H)(P[5]P[5]CC){5|H<1>,6|C<4>}	P[5](P[5]C[6]P[5])2(C[6]C[6]2H){6|H<1>,9|C<4>}	107.0795	2.217	4	107.0795	4.913	4	107.0795	4.913	4	107.0795	4.913	4	100.5736	33.353	37	99.2922	42.200	61
246	246	246	5:SP3_SP3_SP3	P[5]	P[5]	P[5]	4:3:3:	3:4:3:	4:3:3:	P[5]-4:P[5]-3:P[5]-3:	C[6a]-3:C[5]-4:P[5]-3:	P[5]-4:P[5]-3:P[5]-3:	P[5](P[5]C[6a]C[5]Fe)(P[5]C[6a]C[5])(P[5]P[5]2)	P[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]P[5]2)	P[5](P[5]C[6a]C[5]Fe)(P[5]C[6a]C[5])(P[5]P[5]2)	P[5](P[5]C[6a]C[5]Fe)(P[5]C[6a]C[5])(P[5]P[5]2){1|Fe<5>,2|C<4>,4|H<1>,6|C<3>}	P[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]P[5]2){1|Fe<5>,1|P<3>,1|P<4>,3|C<3>,4|H<1>}	P[5](P[5]C[6a]C[5]Fe)(P[5]C[6a]C[5])(P[5]P[5]2){1|Fe<5>,2|C<4>,4|H<1>,6|C<3>}	105.4560	0.000	1	105.4560	0.000	1	105.4560	0.000	1	105.4560	0.000	1	100.5736	33.353	37	99.2922	42.200	61
246	246	246	6:SP3_SP3_SP3	P[3x5,4x6]	P[3x5,6,6]	P[3x5,4x6]	3:3:3:	3:3:3:	3:3:3:	P[3x5,6,6]-3:P[3x5,6,6]-3:P[3x5,4x6]-3:	P[3x5,4x6]-3:P[4x5,6,6]-3:C[5,6,6a]-3:	P[3x5,6,6]-3:P[3x5,6,6]-3:P[3x5,4x6]-3:	P[3x5,4x6](P[3x5,6,6]P[4x5,6,6]C[5,6,6a])2(P[3x5,4x6]P[3x5,6,6]2)	P[3x5,6,6](P[3x5,4x6]P[3x5,4x6]P[3x5,6,6])(P[4x5,6,6]P[3x5,6,6]P[4x5,6,6])(C[5,6,6a]C[5,6,6a]C[6a])	P[3x5,4x6](P[3x5,6,6]P[4x5,6,6]C[5,6,6a])2(P[3x5,4x6]P[3x5,6,6]2)	P[3x5,4x6](P[3x5,6,6]P[4x5,6,6]C[5,6,6a])2(P[3x5,4x6]P[3x5,6,6]2){4|C<3>}	P[3x5,6,6](P[3x5,4x6]P[3x5,4x6]P[3x5,6,6])(P[4x5,6,6]P[3x5,6,6]P[4x5,6,6])(C[5,6,6a]C[5,6,6a]C[6a]){1|H<1>,1|P<3>,3|C<3>}	P[3x5,4x6](P[3x5,6,6]P[4x5,6,6]C[5,6,6a])2(P[3x5,4x6]P[3x5,6,6]2){4|C<3>}	102.5756	0.596	8	102.5756	0.355	8	102.5756	0.355	8	102.5756	0.355	8	102.5756	0.355	8	101.3675	1.735	20
246	246	246	6:SP3_SP3_SP3	P[3x5,6,6]	P[3x5,4x6]	P[4x5,6,6]	3:3:3:	3:3:3:	3:3:3:	P[3x5,4x6]-3:P[4x5,6,6]-3:C[5,6,6a]-3:	P[3x5,6,6]-3:P[3x5,6,6]-3:P[3x5,4x6]-3:	P[3x5,6,6]-3:P[3x5,6,6]-3:P[4x5,6,6]-3:	P[3x5,6,6](P[3x5,4x6]P[3x5,4x6]P[3x5,6,6])(P[4x5,6,6]P[3x5,6,6]P[4x5,6,6])(C[5,6,6a]C[5,6,6a]C[6a])	P[3x5,4x6](P[3x5,6,6]P[4x5,6,6]C[5,6,6a])2(P[3x5,4x6]P[3x5,6,6]2)	P[4x5,6,6](P[3x5,6,6]P[3x5,4x6]C[5,6,6a])2(P[4x5,6,6]P[3x5,6,6]2)	P[3x5,6,6](P[3x5,4x6]P[3x5,4x6]P[3x5,6,6])(P[4x5,6,6]P[3x5,6,6]P[4x5,6,6])(C[5,6,6a]C[5,6,6a]C[6a]){1|H<1>,1|P<3>,3|C<3>}	P[3x5,4x6](P[3x5,6,6]P[4x5,6,6]C[5,6,6a])2(P[3x5,4x6]P[3x5,6,6]2){4|C<3>}	P[4x5,6,6](P[3x5,6,6]P[3x5,4x6]C[5,6,6a])2(P[4x5,6,6]P[3x5,6,6]2){4|C<3>}	99.4290	0.448	4	99.4290	0.201	4	99.4290	0.201	4	99.4290	0.201	4	99.4290	0.201	4	101.3675	1.735	20
246	246	246	6:SP3_SP3_SP3	P[4x5,6,6]	P[3x5,6,6]	P[4x5,6,6]	3:3:3:	3:3:3:	3:3:3:	P[3x5,6,6]-3:P[3x5,6,6]-3:P[4x5,6,6]-3:	P[3x5,4x6]-3:P[4x5,6,6]-3:C[5,6,6a]-3:	P[3x5,6,6]-3:P[3x5,6,6]-3:P[4x5,6,6]-3:	P[4x5,6,6](P[3x5,6,6]P[3x5,4x6]C[5,6,6a])2(P[4x5,6,6]P[3x5,6,6]2)	P[3x5,6,6](P[3x5,4x6]P[3x5,4x6]P[3x5,6,6])(P[4x5,6,6]P[3x5,6,6]P[4x5,6,6])(C[5,6,6a]C[5,6,6a]C[6a])	P[4x5,6,6](P[3x5,6,6]P[3x5,4x6]C[5,6,6a])2(P[4x5,6,6]P[3x5,6,6]2)	P[4x5,6,6](P[3x5,6,6]P[3x5,4x6]C[5,6,6a])2(P[4x5,6,6]P[3x5,6,6]2){4|C<3>}	P[3x5,6,6](P[3x5,4x6]P[3x5,4x6]P[3x5,6,6])(P[4x5,6,6]P[3x5,6,6]P[4x5,6,6])(C[5,6,6a]C[5,6,6a]C[6a]){1|H<1>,1|P<3>,3|C<3>}	P[4x5,6,6](P[3x5,6,6]P[3x5,4x6]C[5,6,6a])2(P[4x5,6,6]P[3x5,6,6]2){4|C<3>}	101.1286	0.623	8	101.1286	0.388	8	101.1286	0.388	8	101.1286	0.388	8	101.1286	0.388	8	101.3675	1.735	20