474	818	979	0:SP3_SP2_SP2	C[5]	C[5]	Si	3:3:3:1:	4:3:2:	4:3:3:	C[5,6a]-3:C[5]-3:Si-3:H-1:	C[5]-4:C[5]-3:S-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(SiC[6a]2)(H)	C[5](C[5]C[5,6a]SiH)(C[5]C[5,6a]P)(SIr)	Si(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(SiC[6a]2)(H){1|H<1>,1|P<4>,2|C<3>}	C[5](C[5]C[5,6a]SiH)(C[5]C[5,6a]P)(SIr){2|C<3>}	Si(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)2	110.5770	0.000	1	110.5770	0.000	1	110.5770	0.000	1	110.5770	0.000	1	107.6053	17.558	7	107.6053	17.558	7
474	818	979	0:SP3_SP2_SP2	C[5]	C[5]	Si	3:3:3:4:	4:3:4:	4:3:3:	C[5]-3:C[5]-3:Si-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-4:Si-3:N-3:	C[5](C[5]C[5]C)2(SiSiN)(CH3)	C[5](C[5]C[5]SiC)(C[5]C[5]C)(CH3)	Si(C[5]C[5]2C)(SiC[5]N)(NSi2)	C[5](C[5]C[5]C)2(SiSiN)(CH3){2|C<4>}	C[5](C[5]C[5]SiC)(C[5]C[5]C)(CH3){2|C<4>}	Si(C[5]C[5]2C)(SiC[5]N)(NSi2)	107.0343	2.202	4	107.0343	4.849	4	107.0343	4.849	4	107.0343	4.849	4	107.6053	17.558	7	107.6053	17.558	7
474	818	979	0:SP3_SP2_SP2	C[5]	C[5]	Si	3:3:3:4:	4:3:4:	4:3:4:	C[5]-3:C[5]-3:Si-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:Si-4:	C[5](C[5]C[5]C)2(SiC[5]Si)(CH3)	C[5](C[5]C[5]SiC)(C[5]C[5]C)(CH3)	Si(C[5]C[5]2C)(C[5]N[5]2)(SiSi3)	C[5](C[5]C[5]C)2(SiC[5]Si)(CH3){2|C<4>}	C[5](C[5]C[5]SiC)(C[5]C[5]C)(CH3){2|C<4>}	Si(C[5]C[5]2C)(C[5]N[5]2)(SiSi3)	107.2615	8.968	2	107.2615	80.429	2	107.2615	80.429	2	107.2615	80.429	2	107.6053	17.558	7	107.6053	17.558	7
474	818	982	5:SP3_SP2_SPD5	C[5]	C[5]	Ge[3,3,5]	5:3:1:1:	4:3:4:	3:3:4:4:4:	Ge[3,3,5]-5:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	N[3]-3:N[3]-3:B[3,3]-4:C[5]-4:C[5]-4:	C[5](Ge[3,3,5]B[3,3]C[5]N[3]2)(C[5]C[5]C)(H)2	C[5](C[5]Ge[3,3,5]HH)(C[5]C[5]C)(CC[6a]HH)	Ge[3,3,5](N[3]B[3,3]C[6a])2(B[3,3]N[3]2N)(C[5]C[5]HH)2	C[5](Ge[3,3,5]B[3,3]C[5]N[3]2)(C[5]C[5]C)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]Ge[3,3,5]HH)(C[5]C[5]C)(CC[6a]HH){1|B<4>,2|H<1>,2|N<3>}	Ge[3,3,5](N[3]B[3,3]C[6a])2(B[3,3]N[3]2N)(C[5]C[5]HH)2{2|C<4>,4|C<3>}	103.4615	0.021	2	103.4615	0.000	2	103.3730	0.019	4	103.3730	0.019	4	103.3730	0.019	4	103.3730	0.019	4
474	818	982	5:SP3_SP2_SPD5	C[5]	C[5]	Ge[3,3,5]	5:3:1:1:	4:3:4:	3:3:4:4:4:	Ge[3,3,5]-5:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	N[3]-3:N[3]-3:B[3,3]-4:C[5]-4:C[5]-4:	C[5](Ge[3,3,5]B[3,3]C[5]N[3]2)(C[5]C[5]C)(H)2	C[5](C[5]Ge[3,3,5]HH)(C[5]C[5]C)(CH3)	Ge[3,3,5](N[3]B[3,3]C[6a])2(B[3,3]N[3]2N)(C[5]C[5]HH)2	C[5](Ge[3,3,5]B[3,3]C[5]N[3]2)(C[5]C[5]C)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]Ge[3,3,5]HH)(C[5]C[5]C)(CH3){1|B<4>,2|H<1>,2|N<3>}	Ge[3,3,5](N[3]B[3,3]C[6a])2(B[3,3]N[3]2N)(C[5]C[5]HH)2{2|C<4>,4|C<3>}	103.2845	0.156	2	103.2845	0.024	2	103.3730	0.019	4	103.3730	0.019	4	103.3730	0.019	4	103.3730	0.019	4
474	818	983	0:SP3_SP1_SP2	C[5,3x6]	C[5,6]	C	4:4:3:2:	4:4:1:	4:1:	C[5,3x6]-4:C[5,3x6]-4:C[5,6]-3:C-2:	C[4,5,3x6]-4:C[5,3x6]-4:O-1:	C[5,3x6]-4:N-1:	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]O[5,6]H)(C[5,6]C[4,5,3x6]O)(CN)	C[5,6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]C[3,6,6])(C[5,3x6]C[5,3x6]2C)(O)	C(C[5,3x6]C[5,3x6]2C[5,6])(N)	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]O[5,6]H)(C[5,6]C[4,5,3x6]O)(CN){4|C<4>,4|H<1>}	C[5,6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]C[3,6,6])(C[5,3x6]C[5,3x6]2C)(O){1|C<3>,1|O<2>,3|H<1>,6|C<4>}	C(C[5,3x6]C[5,3x6]2C[5,6])(N)	115.4670	0.000	1	115.4670	0.000	1	113.9694	1.304	5	113.6916	0.983	9	113.6916	0.983	9	110.8020	7.233	223
474	818	983	0:SP3_SP1_SP2	C[5,3x6]	C[5,6]	C	4:4:3:2:	4:4:1:	4:1:	C[5,3x6]-4:C[5,3x6]-4:C[5,6]-3:C-2:	C[4,5,3x6]-4:C[5,3x6]-4:O-1:	C[5,3x6]-4:N-1:	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]O[5,6]H)(C[5,6]C[4,5,3x6]O)(CN)	C[5,6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]C[3x6])(C[5,3x6]C[5,3x6]2C)(O)	C(C[5,3x6]C[5,3x6]2C[5,6])(N)	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]O[5,6]H)(C[5,6]C[4,5,3x6]O)(CN){4|C<4>,4|H<1>}	C[5,6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]C[3x6])(C[5,3x6]C[5,3x6]2C)(O){1|C<3>,1|O<2>,4|H<1>,5|C<4>}	C(C[5,3x6]C[5,3x6]2C[5,6])(N)	113.9537	0.659	3	113.9537	0.435	3	113.9694	1.304	5	113.6916	0.983	9	113.6916	0.983	9	110.8020	7.233	223
474	818	983	0:SP3_SP1_SP2	C[5,3x6]	C[5,6]	C	4:4:3:2:	4:4:1:	4:1:	C[5,3x6]-4:C[5,3x6]-4:C[5,6]-3:C-2:	C[4,5,3x6]-4:C[5,3x6]-4:O-1:	C[5,3x6]-4:N-1:	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]O[5,6]H)(C[5,6]C[4,5,3x6]O)(CN)	C[5,6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]C[5,5,3x6])(C[5,3x6]C[5,3x6]2C)(O)	C(C[5,3x6]C[5,3x6]2C[5,6])(N)	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]O[5,6]H)(C[5,6]C[4,5,3x6]O)(CN){4|C<4>,4|H<1>}	C[5,6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]C[5,5,3x6])(C[5,3x6]C[5,3x6]2C)(O){1|O<2>,4|H<1>,6|C<4>}	C(C[5,3x6]C[5,3x6]2C[5,6])(N)	112.5190	0.000	1	112.5190	0.000	1	113.9694	1.304	5	113.6916	0.983	9	113.6916	0.983	9	110.8020	7.233	223
474	818	983	0:SP3_SP1_SP2	C[5,3x6]	C[5,6]	C	4:4:3:2:	4:4:1:	4:1:	C[5,3x6]-4:C[5,3x6]-4:C[5,6]-3:C-2:	C[4,5,6,6]-4:C[5,3x6]-4:O-1:	C[5,3x6]-4:N-1:	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]O[5,6]H)(C[5,6]C[4,5,6,6]O)(CN)	C[5,6](C[4,5,6,6]C[4,5,6,6]2C[6])(C[5,3x6]C[5,3x6]2C)(O)	C(C[5,3x6]C[5,3x6]2C[5,6])(N)	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]O[5,6]H)(C[5,6]C[4,5,6,6]O)(CN){1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[4,5,6,6]C[4,5,6,6]2C[6])(C[5,3x6]C[5,3x6]2C)(O){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C(C[5,3x6]C[5,3x6]2C[5,6])(N)	113.8290	0.000	1	113.3443	0.592	4	113.3443	0.592	4	113.6916	0.983	9	113.6916	0.983	9	110.8020	7.233	223
474	818	983	0:SP3_SP1_SP2	C[5,3x6]	C[5,6]	C	4:4:3:2:	4:4:1:	4:1:	C[5,3x6]-4:C[5,3x6]-4:C[5,6]-3:C-2:	C[4,5,6,6]-4:C[5,3x6]-4:O-1:	C[5,3x6]-4:N-1:	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]O[5,6]H)(C[5,6]C[4,5,6,6]O)(CN)	C[5,6](C[4,5,6,6]C[4,5,6,6]2C[6])(C[5,3x6]C[5,3x6]2C)(O)	C(C[5,3x6]C[5,3x6]2C[5,6])(N)	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]O[5,6]H)(C[5,6]C[4,5,6,6]O)(CN){1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[4,5,6,6]C[4,5,6,6]2C[6])(C[5,3x6]C[5,3x6]2C)(O){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C(C[5,3x6]C[5,3x6]2C[5,6])(N)	113.9360	0.000	1	113.3443	0.592	4	113.3443	0.592	4	113.6916	0.983	9	113.6916	0.983	9	110.8020	7.233	223
474	818	983	0:SP3_SP1_SP2	C[5,3x6]	C[5,6]	C	4:4:3:2:	4:4:1:	4:1:	C[5,3x6]-4:C[5,3x6]-4:C[5,6]-3:C-2:	C[4,5,6,6]-4:C[5,3x6]-4:O-1:	C[5,3x6]-4:N-1:	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]O[5,6]H)(C[5,6]C[4,5,6,6]O)(CN)	C[5,6](C[4,5,6,6]C[4,5,6,6]2C[6])(C[5,3x6]C[5,3x6]2C)(O)	C(C[5,3x6]C[5,3x6]2C[5,6])(N)	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]O[5,6]H)(C[5,6]C[4,5,6,6]O)(CN){4|C<4>,4|H<1>}	C[5,6](C[4,5,6,6]C[4,5,6,6]2C[6])(C[5,3x6]C[5,3x6]2C)(O){1|O<2>,4|H<1>,6|C<4>}	C(C[5,3x6]C[5,3x6]2C[5,6])(N)	112.8060	0.782	2	113.3443	0.592	4	113.3443	0.592	4	113.6916	0.983	9	113.6916	0.983	9	110.8020	7.233	223
474	818	983	0:SP3_SP1_SP2	C[5,5,6]	C[5,6]	C	4:4:3:2:	4:2:2:	4:1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:C-2:	C[5,5,6]-4:O[5,6]-2:N-2:	C[5,5,6]-4:N-1:	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,5]C[5,5,6]CH)(C[5,6]O[5,6]N)(CN)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(O[5,6]C[5,5,6])(NH)	C(C[5,5,6]C[5,5,6]C[5,5]C[5,6])(N)	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,5]C[5,5,6]CH)(C[5,6]O[5,6]N)(CN){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(O[5,6]C[5,5,6])(NH){2|C<3>,2|C<4>,2|H<1>}	C(C[5,5,6]C[5,5,6]C[5,5]C[5,6])(N)	112.5520	0.000	1	112.5520	0.000	1	112.5520	0.000	1	112.3570	0.076	2	112.3570	0.076	2	110.8020	7.233	223
474	818	983	0:SP3_SP1_SP2	C[5,5,6]	C[5,6]	C	4:4:3:2:	4:2:2:	4:1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-2:	C[5,5,6]-4:O[5,6]-2:N-2:	C[5,5,6]-4:N-1:	C[5,5,6](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,5,6]CH)(C[5,6]O[5,6]N)(CN)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(O[5,6]C[5,5,6])(NH)	C(C[5,5,6]C[5,5]C[5,6]2)(N)	C[5,5,6](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,5,6]CH)(C[5,6]O[5,6]N)(CN){1|H<1>,5|C<3>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(O[5,6]C[5,5,6])(NH){2|C<3>,2|C<4>,2|H<1>}	C(C[5,5,6]C[5,5]C[5,6]2)(N)	112.1620	0.000	1	112.1620	0.000	1	112.1620	0.000	1	112.3570	0.076	2	112.3570	0.076	2	110.8020	7.233	223
474	818	983	0:SP3_SP1_SP2	C[5,5,6]	C[5]	C	4:4:3:2:	4:2:1:	4:1:	C[3x5,6]-4:C[5,6]-4:C[5]-3:C-2:	C[5,5,6]-4:O[5]-2:O-1:	C[5,5,6]-4:N-1:	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]CH)(C[5]O[5]O)(CN)	C[5](C[5,5,6]C[3x5,6]C[5,6]C)(O[5]C[5,5,6])(O)	C(C[5,5,6]C[3x5,6]C[5,6]C[5])(N)	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]CH)(C[5]O[5]O)(CN){1|C<4>,4|H<1>}	C[5](C[5,5,6]C[3x5,6]C[5,6]C)(O[5]C[5,5,6])(O){3|H<1>,4|C<4>}	C(C[5,5,6]C[3x5,6]C[5,6]C[5])(N)	111.6410	0.000	1	111.6410	0.000	1	111.6410	0.000	1	111.6410	0.000	1	112.3345	0.962	2	110.8020	7.233	223
474	818	983	0:SP3_SP1_SP2	C[5,5,6]	C[5]	C	4:4:3:2:	4:3:2:	4:1:	C[5,5,6]-4:C[5,6]-4:C[5]-3:C-2:	C[5,5,6]-4:C[5]-3:C-2:	C[5,5,6]-4:N-1:	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]H)(C[5,6]C[5,6a]C[6,6a]H)(C[5]C[5]C)(CN)	C[5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5]C[5,6]H)(CN)	C(C[5,5,6]C[5,5,6]C[5,6]C[5])(N)	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]H)(C[5,6]C[5,6a]C[6,6a]H)(C[5]C[5]C)(CN){2|H<1>,4|C<3>}	C[5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5]C[5,6]H)(CN){3|H<1>,4|C<3>}	C(C[5,5,6]C[5,5,6]C[5,6]C[5])(N)	113.0280	0.000	1	113.0280	0.000	1	113.0280	0.000	1	113.0280	0.000	1	112.3345	0.962	2	110.8020	7.233	223
474	818	983	0:SP3_SP1_SP2	C[5,5]	C[5,5]	C	3:4:4:2:	4:2:2:	4:1:	C[5,5]-3:C[5]-4:C[5]-4:C-2:	C[5,5]-4:N[5]-2:N[5]-2:	C[5,5]-4:N-1:	C[5,5](C[5,5]N[5]2)(C[5]C[5]HH)2(CN)	C[5,5](C[5,5]C[5]2C)(N[5]C[5])2	C(C[5,5]C[5,5]C[5]2)(N)	C[5,5](C[5,5]N[5]2)(C[5]C[5]HH)2(CN){1|C<4>,3|H<1>}	C[5,5](C[5,5]C[5]2C)(N[5]C[5])2{1|C<4>,7|H<1>}	C(C[5,5]C[5,5]C[5]2)(N)	109.9240	0.000	1	109.9240	0.000	1	109.9240	0.000	1	109.9240	0.000	1	109.9240	0.000	1	110.8020	7.233	223
474	818	983	0:SP3_SP1_SP2	C[5,5]	C[5]	C	4:3:3:2:	4:3:3:	4:1:	C[5,5]-4:C[5]-3:C[5]-3:C-2:	C[5,5]-4:C[5]-3:C-3:	C[5,5]-4:N-1:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]C)(C[5]C[5]O)(CN)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]H)(CSiO)	C(C[5,5]C[5,5]C[5]2)(N)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]C)(C[5]C[5]O)(CN){7|H<1>}	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]H)(CSiO){1|O<1>,2|C<4>,3|H<1>}	C(C[5,5]C[5,5]C[5]2)(N)	114.2350	0.000	1	114.2350	0.000	1	114.2350	0.000	1	114.2350	0.000	1	112.1280	4.140	3	110.8020	7.233	223
474	818	983	0:SP3_SP1_SP2	C[5,5]	C[5]	C	4:3:3:2:	4:4:1:	4:1:	C[5,5]-4:C[5]-3:C[5]-3:C-2:	C[5,5]-4:C[5]-4:O-1:	C[5,5]-4:N-1:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]C)(C[5]C[5]O)(CN)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(O)	C(C[5,5]C[5,5]C[5]2)(N)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]C)(C[5]C[5]O)(CN){7|H<1>}	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(O){1|C<4>,2|C<3>,3|H<1>}	C(C[5,5]C[5,5]C[5]2)(N)	110.1740	0.000	1	110.1740	0.000	1	110.1740	0.000	1	110.1740	0.000	1	112.1280	4.140	3	110.8020	7.233	223
474	818	983	0:SP3_SP1_SP2	C[5,5]	C[5]	C	4:4:3:2:	4:4:1:	4:2:	C[5,5]-4:C[5]-4:C[5]-3:C-2:	C[5,5]-4:C[5]-4:O-1:	C[5,5]-4:C-2:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]O)(CC)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(O)	C(C[5,5]C[5,5]C[5]2)(CC[6a])	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]O)(CC){2|C<3>,6|H<1>}	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(O){3|C<4>,4|H<1>}	C(C[5,5]C[5,5]C[5]2)(CC[6a])	111.9750	0.000	1	111.9750	0.000	1	111.9750	0.000	1	111.9750	0.000	1	112.1280	4.140	3	110.8020	7.233	223
474	818	983	0:SP3_SP1_SP2	C[5,6,6]	C[5,6,6]	C	4:3:4:2:	4:4:3:	4:1:	C[5,5,6]-4:C[5,6,6]-3:C[6]-4:C-2:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:	C[5,6,6]-4:N-1:	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6]C[5,5,6]C[6])(C[6]C[6]HH)(CN)	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6]C[5,5,6]C[6]C)(C[6]C[6]H)	C(C[5,6,6]C[5,5,6]C[5,6,6]C[6])(N)	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6]C[5,5,6]C[6])(C[6]C[6]HH)(CN){1|C<4>,3|H<1>,5|C<3>}	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6]C[5,5,6]C[6]C)(C[6]C[6]H){1|C<4>,4|H<1>,5|C<3>}	C(C[5,6,6]C[5,5,6]C[5,6,6]C[6])(N)	111.1867	2.567	3	111.1867	6.591	3	111.1867	6.591	3	111.1867	6.591	3	111.1867	6.591	3	110.8020	7.233	223
474	818	983	0:SP3_SP1_SP2	C[5,6]	C[5,6]	C	3:3:4:2:	4:3:4:	4:1:	C[5,6]-3:C[6]-3:C[5]-4:C-2:	C[5,6]-4:C[6]-3:C[5]-4:	C[5,6]-4:N-1:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]O)(C[5]C[5]HH)(CN)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]Si)(C[5]C[5]HH)	C(C[5,6]C[5,6]C[5]C[6])(N)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]O)(C[5]C[5]HH)(CN){1|Si<4>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]Si)(C[5]C[5]HH){1|O<1>,2|C<3>,4|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(N)	106.8545	0.781	2	106.8545	0.611	2	106.8545	0.611	2	106.8545	0.611	2	108.0345	1.591	8	110.8020	7.233	223
474	818	983	0:SP3_SP1_SP2	C[5,6]	C[5,6]	C	3:4:3:2:	4:2:3:	4:1:	N[5,6]-3:C[6]-4:C[5,6]-3:C-2:	C[5,6]-4:N[5]-2:C[6]-3:	C[5,6]-4:N-1:	C[5,6](N[5,6]C[5,6]C[6])(C[6]C[6a]C[6]H)(C[5,6]C[6]N[5])(CN)	C[5,6](C[5,6]N[5,6]C[6]C)(N[5]C[5,6])(C[6]C[6]C)	C(C[5,6]C[5,6]N[5,6]C[6])(N)	C[5,6](N[5,6]C[5,6]C[6])(C[6]C[6a]C[6]H)(C[5,6]C[6]N[5])(CN){1|C<2>,1|C<4>,2|H<1>,5|C<3>}	C[5,6](C[5,6]N[5,6]C[6]C)(N[5]C[5,6])(C[6]C[6]C){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	C(C[5,6]C[5,6]N[5,6]C[6])(N)	108.9660	0.000	1	108.9660	0.000	1	108.9660	0.000	1	108.9660	0.000	1	108.0345	1.591	8	110.8020	7.233	223
474	818	983	0:SP3_SP1_SP2	C[5,6]	C[5,6]	C	3:4:4:2:	3:4:2:	4:1:	C[5,6]-3:C[5]-4:C[6]-4:C-2:	C[6,6a]-3:C[5,6]-4:N[5]-2:	C[5,6]-4:N-1:	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]O[5]H)(C[6]N[6]HH)(CN)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]O[5])	C(C[5,6]C[5,6]C[5]C[6])(N)	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]O[5]H)(C[6]N[6]HH)(CN){1|S<4>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]O[5]){1|N<3>,3|C<3>,4|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(N)	109.2170	0.000	1	109.2170	0.000	1	108.8800	0.066	4	108.8800	0.066	4	108.0345	1.591	8	110.8020	7.233	223
474	818	983	0:SP3_SP1_SP2	C[5,6]	C[5,6]	C	3:4:4:2:	3:4:2:	4:1:	C[5,6]-3:C[5]-4:C[6]-4:C-2:	C[6,6a]-3:C[5,6]-4:N[5]-2:	C[5,6]-4:N-1:	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]O[5]H)(C[6]O[6]HH)(CN)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]O[5])	C(C[5,6]C[5,6]C[5]C[6])(N)	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]O[5]H)(C[6]O[6]HH)(CN){4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]O[5]){1|O<2>,3|C<3>,4|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(N)	108.7677	0.153	3	108.7677	0.023	3	108.8800	0.066	4	108.8800	0.066	4	108.0345	1.591	8	110.8020	7.233	223
474	818	983	0:SP3_SP1_SP2	C[5,6]	C[5,6]	C	3:4:4:2:	4:3:2:	4:1:	C[5,6]-3:C[5]-4:C[6]-4:C-2:	C[5,6]-4:N[6]-3:N[5]-2:	C[5,6]-4:N-1:	C[5,6](C[5,6]N[5]N[6])(C[5]C[5]HH)(C[6]C[6]HH)(CN)	C[5,6](C[5,6]C[5]C[6]C)(N[6]C[6]H)(N[5]C[5])	C(C[5,6]C[5,6]C[5]C[6])(N)	C[5,6](C[5,6]N[5]N[6])(C[5]C[5]HH)(C[6]C[6]HH)(CN){2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(N[6]C[6]H)(N[5]C[5]){2|C<4>,7|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(N)	106.0810	0.000	1	106.0810	0.000	1	106.0810	0.000	1	106.0810	0.000	1	108.0345	1.591	8	110.8020	7.233	223
474	818	983	0:SP3_SP1_SP2	C[5,6]	C[5]	C	4:3:3:2:	4:3:3:	4:1:	C[5,6]-4:C[5]-3:C[6]-3:C-2:	C[5,6]-4:C[5]-3:C-3:	C[5,6]-4:N-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]C)(C[6]C[6]O)(CN)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CSiO)	C(C[5,6]C[5,6]C[5]C[6])(N)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]C)(C[6]C[6]O)(CN){1|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CSiO){1|O<1>,2|C<4>,3|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(N)	108.5930	1.290	2	108.5930	1.663	2	108.5930	1.663	2	108.5930	1.663	2	108.5134	11.845	7	110.8020	7.233	223
474	818	983	0:SP3_SP1_SP2	C[5,6]	C[5]	C	4:3:3:2:	4:4:3:	4:1:	C[5,6]-4:C[5]-3:C[6]-3:C-2:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:N-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]C)(C[6]C[6]O)(CN)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CSiH)	C(C[5,6]C[5,6]C[5]C[6])(N)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]C)(C[6]C[6]O)(CN){1|C<4>,8|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CSiH){1|O<1>,2|C<4>,3|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(N)	106.3590	0.639	2	106.3590	0.409	2	106.3590	0.409	2	106.3590	0.409	2	108.5134	11.845	7	110.8020	7.233	223
474	818	983	0:SP3_SP1_SP2	C[5,6]	C[5]	C	4:4:3:2:	4:2:1:	4:1:	C[6,6]-4:C[5,6]-4:C[5]-3:C-2:	C[5,6]-4:N[5]-2:O-1:	C[5,6]-4:N-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]N[5]O)(CN)	C[5](C[5,6]C[5,6]C[6,6]C)(N[5]C[5])(O)	C(C[5,6]C[5,6]C[6,6]C[5])(N)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]N[5]O)(CN){1|C<3>,1|N<3>,2|C<4>,2|O<2>,3|H<1>}	C[5](C[5,6]C[5,6]C[6,6]C)(N[5]C[5])(O){1|C<2>,1|H<1>,1|N<3>,3|C<4>}	C(C[5,6]C[5,6]C[6,6]C[5])(N)	103.9040	0.000	1	103.9040	0.000	1	103.9040	0.000	1	103.9040	0.000	1	108.5134	11.845	7	110.8020	7.233	223
474	818	983	0:SP3_SP1_SP2	C[5,6]	C[5]	C	4:4:3:2:	4:2:2:	4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-2:	C[5,6]-4:O[5]-2:N-2:	C[5,6]-4:N-1:	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6]CC)(C[5]O[5]N)(CN)	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(NH)	C(C[5,6]C[5,6]C[5]C[6])(N)	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6]CC)(C[5]O[5]N)(CN){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(NH){1|H<1>,1|O<2>,2|C<2>,3|C<4>}	C(C[5,6]C[5,6]C[5]C[6])(N)	112.6750	0.000	1	112.6750	0.000	1	112.6750	0.000	1	112.6750	0.000	1	108.5134	11.845	7	110.8020	7.233	223
474	818	983	0:SP3_SP1_SP2	C[5,6]	C[5]	C	4:4:3:2:	4:2:3:	4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-2:	C[5,6]-4:N[5]-2:N-3:	C[5,6]-4:N-1:	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6a]O[6]H)(C[5]N[5]N)(CN)	C[5](C[5,6]C[5,6]C[6]C)(N[5]C[5])(NHH)	C(C[5,6]C[5,6]C[5]C[6])(N)	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6a]O[6]H)(C[5]N[5]N)(CN){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(N[5]C[5])(NHH){1|C<2>,1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(C[5,6]C[5,6]C[5]C[6])(N)	113.1110	0.000	1	113.1110	0.000	1	113.1110	0.000	1	113.1110	0.000	1	108.5134	11.845	7	110.8020	7.233	223
474	818	983	0:SP3_SP1_SP2	C[5]	C[5,6]	C	3:3:2:2:	3:3:4:	4:1:	C[5,6]-3:C[5]-3:C-2:C-2:	C[6]-3:C[5,6]-3:C[5]-4:	C[5]-4:N-1:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CN)2	C[5,6](C[6]C[6,6a]C[6a])(C[5,6]C[5]C[6])(C[5]C[5]CC)	C(C[5]C[5,6]C[5]C)(N)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CN)2{1|C<2>,1|C<4>,2|C<3>}	C[5,6](C[6]C[6,6a]C[6a])(C[5,6]C[5]C[6])(C[5]C[5]CC){1|C<2>,1|O<1>,6|C<3>}	C(C[5]C[5,6]C[5]C)(N)	113.9473	0.860	6	113.9473	0.739	6	113.9473	0.739	6	113.9473	0.739	6	111.0891	9.918	14	110.8020	7.233	223
474	818	983	0:SP3_SP1_SP2	C[5]	C[5,6]	C	3:3:3:2:	3:4:3:	4:1:	C[5,6]-3:C[6a]-3:C[5]-3:C-2:	C[6,6a]-3:C[5]-4:C[5,6]-3:	C[5]-4:N-1:	C[5](C[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)(C[5]C[5]C)(CN)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]C)(C[5,6]C[5]C[6])	C(C[5]C[5,6]C[6a]C[5])(N)	C[5](C[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)(C[5]C[5]C)(CN){1|C<2>,1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]C)(C[5,6]C[5]C[6]){1|C<2>,1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C(C[5]C[5,6]C[6a]C[5])(N)	107.8280	0.000	1	107.8280	0.000	1	107.8280	0.000	1	107.8280	0.000	1	111.0891	9.918	14	110.8020	7.233	223
474	818	983	0:SP3_SP1_SP2	C[5]	C[5,6]	C	3:4:2:2:	3:3:4:	4:1:	C[5,6]-3:C[5]-4:C-2:C-2:	C[6,6a]-3:C[5,6]-3:C[5]-4:	C[5]-4:N-1:	C[5](C[5,6]C[6,6a]C[5,6])(C[5]C[5]CH)(CN)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(C[5]C[5]CC)	C(C[5]C[5,6]C[5]C)(N)	C[5](C[5,6]C[6,6a]C[5,6])(C[5]C[5]CH)(CN)2{1|C<4>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(C[5]C[5]CC){1|C<4>,4|C<3>,4|H<1>}	C(C[5]C[5,6]C[5]C)(N)	111.0160	0.866	4	111.0160	0.749	4	111.0160	0.749	4	111.0160	0.749	4	111.0891	9.918	14	110.8020	7.233	223
474	818	983	0:SP3_SP1_SP2	C[5]	C[5,6]	C	3:4:3:2:	4:3:3:	4:1:	C[5,6]-3:C[5]-4:C[6a]-3:C-2:	C[5]-4:C[5,6]-3:N[6]-3:	C[5]-4:N-1:	C[5](C[5,6]C[5,6]N[6])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(CN)	C[5,6](C[5]C[6a]C[5]C)(C[5,6]C[6]N[5])(N[6]C[6]H)	C(C[5]C[5,6]C[6a]C[5])(N)	C[5](C[5,6]C[5,6]N[6])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(CN){4|H<1>,6|C<3>}	C[5,6](C[5]C[6a]C[5]C)(C[5,6]C[6]N[5])(N[6]C[6]H){4|C<3>,4|H<1>}	C(C[5]C[5,6]C[6a]C[5])(N)	106.5570	0.920	3	106.5570	0.846	3	106.5570	0.846	3	106.5570	0.846	3	111.0891	9.918	14	110.8020	7.233	223
474	818	983	0:SP3_SP1_SP2	C[5]	C[5]	C	3:2:2:2:	3:4:3:	4:1:	C[5]-3:O[5]-2:C-2:C-2:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:N-1:	C[5](C[5]C[6a]C[5])(O[5]C[5])(CN)2	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]C[5]H)	C(C[5]C[5]O[5]C)(N)	C[5](C[5]C[6a]C[5])(O[5]C[5])(CN)2{2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]C[5]H){3|C<3>,3|H<1>}	C(C[5]C[5]O[5]C)(N)	111.7442	1.521	8	111.7442	2.312	8	111.7442	2.312	8	111.7442	2.312	8	110.7888	6.786	174	110.8020	7.233	223
474	818	983	0:SP3_SP1_SP2	C[5]	C[5]	C	3:2:2:2:	4:3:1:	4:1:	C[5]-3:O[5]-2:C-2:C-2:	C[5]-4:C[5]-3:H-1:	C[5]-4:N-1:	C[5](C[5]C[5]H)(O[5]C[5])(CN)2	C[5](C[5]O[5]CC)(C[5]C[5]C)(H)	C(C[5]C[5]O[5]C)(N)	C[5](C[5]C[5]H)(O[5]C[5])(CN)2{1|H<1>,2|C<3>}	C[5](C[5]O[5]CC)(C[5]C[5]C)(H){1|C<3>,1|H<1>}	C(C[5]C[5]O[5]C)(N)	111.9895	2.456	2	111.9895	6.031	2	111.9895	6.031	2	111.9895	6.031	2	110.7888	6.786	174	110.8020	7.233	223
474	818	983	0:SP3_SP1_SP2	C[5]	C[5]	C	3:2:2:2:	4:3:1:	4:2:	C[5]-3:O[5]-2:C-2:O-2:	C[5]-4:C[5]-3:O-1:	C[5]-4:C-2:	C[5](C[5]C[5]O)(O[5]C[5])(CC)(OC)	C[5](C[5]O[5]CO)(C[5]C[5]H)(O)	C(C[5]C[5]O[5]O)(CC[6a])	C[5](C[5]C[5]O)(O[5]C[5])(CC)(OC){1|C<3>,1|H<1>}	C[5](C[5]O[5]CO)(C[5]C[5]H)(O){1|C<3>}	C(C[5]C[5]O[5]O)(CC[6a])	114.5000	0.000	1	114.5000	0.000	1	114.5000	0.000	1	114.5000	0.000	1	110.7888	6.786	174	110.8020	7.233	223
474	818	983	0:SP3_SP1_SP2	C[5]	C[5]	C	3:2:2:2:	4:3:3:	4:1:	C[5]-3:O[5]-2:C-2:C-2:	C[5]-4:C[5]-3:C-3:	C[5]-4:N-1:	C[5](C[5]C[5]C)(O[5]C[5])(CN)2	C[5](C[5]O[5]CC)(C[5]C[5]H)(COO)	C(C[5]C[5]O[5]C)(N)	C[5](C[5]C[5]C)(O[5]C[5])(CN)2{1|C<3>,2|H<1>}	C[5](C[5]O[5]CC)(C[5]C[5]H)(COO){1|C<3>,1|H<1>}	C(C[5]C[5]O[5]C)(N)	111.7455	0.336	2	111.7455	0.113	2	111.7455	0.113	2	111.7455	0.113	2	110.7888	6.786	174	110.8020	7.233	223
474	818	983	0:SP3_SP1_SP2	C[5]	C[5]	C	3:2:2:2:	4:3:4:	4:1:	C[5]-3:O[5]-2:C-2:C-2:	C[5]-4:C[5]-3:C-4:	C[5]-4:N-1:	C[5](C[5]C[5]C)(O[5]C[5])(CN)2	C[5](C[5]O[5]CC)(C[5]C[5]C)(CH3)	C(C[5]C[5]O[5]C)(N)	C[5](C[5]C[5]C)(O[5]C[5])(CN)2{1|H<1>,2|C<3>}	C[5](C[5]O[5]CC)(C[5]C[5]C)(CH3){1|C<3>,1|H<1>}	C(C[5]C[5]O[5]C)(N)	110.9485	1.287	4	110.9485	1.656	4	110.9485	1.656	4	110.9485	1.656	4	110.7888	6.786	174	110.8020	7.233	223
474	818	983	0:SP3_SP1_SP2	C[5]	C[5]	C	3:3:2:1:	4:4:3:	4:1:	C[5,6a]-3:C[5]-3:C-2:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CN)(H)	C[5](C[5]C[5,6a]N[5]H)(C[5]C[5,6a]CH)(CCC)	C(C[5]C[5,6a]C[5]H)(N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CN)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]N[5]H)(C[5]C[5,6a]CH)(CCC){1|C<4>,3|C<3>}	C(C[5]C[5,6a]C[5]H)(N)	113.0500	0.000	1	113.0500	0.000	1	113.0500	0.000	1	113.0500	0.000	1	110.7888	6.786	174	110.8020	7.233	223
474	818	983	0:SP3_SP1_SP2	C[5]	C[5]	C	3:3:2:2:	3:4:1:	4:1:	C[5,6a]-3:C[5]-3:C-2:O-2:	N[5]-3:C[5]-4:O-1:	C[5]-4:N-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CN)(OO)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]CO)(O)	C(C[5]C[5,6a]C[5]O)(N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CN)(OO){1|H<1>,3|C<3>}	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]CO)(O){4|C<3>}	C(C[5]C[5,6a]C[5]O)(N)	111.7370	0.709	2	111.7370	0.502	2	111.7370	0.502	2	111.7370	0.502	2	110.7888	6.786	174	110.8020	7.233	223
474	818	983	0:SP3_SP1_SP2	C[5]	C[5]	C	3:3:2:2:	3:4:1:	4:2:	C[5,6a]-3:C[5]-3:C-2:O-2:	N[5,6]-3:C[5]-4:O-1:	C[5]-4:C-2:	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]N[5,6]O)(CC)(OH)	C[5](N[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]CO)(O)	C(C[5]C[5,6a]C[5]O)(CC)	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]N[5,6]O)(CC)(OH){1|C<4>,1|H<1>,2|C<3>}	C[5](N[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]CO)(O){1|C<4>,2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]O)(CC)	109.5180	0.000	1	109.5180	0.000	1	109.5180	0.000	1	110.4615	1.780	2	110.7888	6.786	174	110.8020	7.233	223
474	818	983	0:SP3_SP1_SP2	C[5]	C[5]	C	3:3:2:2:	3:4:1:	4:2:	C[5]-3:C[5]-3:C-2:O-2:	N[5]-3:C[5]-4:O-1:	C[5]-4:C-2:	C[5](C[5]N[5]C)(C[5]N[5]O)(CC)(OH)	C[5](N[5]C[6a]N[5])(C[5]C[5]CO)(O)	C(C[5]C[5]2O)(CC[6a])	C[5](C[5]N[5]C)(C[5]N[5]O)(CC)(OH){1|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]CO)(O){1|C<4>,2|C<3>}	C(C[5]C[5]2O)(CC[6a])	111.4050	0.000	1	111.4050	0.000	1	111.4050	0.000	1	110.4615	1.780	2	110.7888	6.786	174	110.8020	7.233	223
474	818	983	0:SP3_SP1_SP2	C[5]	C[5]	C	3:3:2:2:	4:2:4:	4:2:	C[5]-3:C[5]-3:C-2:O-2:	C[5]-4:N[5]-2:C-4:	C[5]-4:C-2:	C[5](C[5]N[5]C)(C[5]N[5]O)(CC)(OH)	C[5](C[5]C[5]CO)(N[5]N[5])(CH3)	C(C[5]C[5]2O)(CC[6a])	C[5](C[5]N[5]C)(C[5]N[5]O)(CC)(OH){1|C<3>}	C[5](C[5]C[5]CO)(N[5]N[5])(CH3){1|C<3>,1|O<1>}	C(C[5]C[5]2O)(CC[6a])	110.5210	0.000	1	110.5210	0.000	1	110.5210	0.000	1	110.5210	0.000	1	110.7888	6.786	174	110.8020	7.233	223
474	818	983	0:SP3_SP1_SP2	C[5]	C[5]	C	3:3:2:2:	4:3:1:	4:1:	C[5,6]-3:C[5]-3:C-2:C-2:	C[5]-4:C[5]-3:O-1:	C[5]-4:N-1:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CN)2	C[5](C[5]C[5,6]CC)(C[5]C[5,6]C)(O)	C(C[5]C[5,6]C[5]C)(N)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CN)2{1|C<2>,1|C<4>,2|C<3>}	C[5](C[5]C[5,6]CC)(C[5]C[5,6]C)(O){1|C<3>,1|C<4>}	C(C[5]C[5,6]C[5]C)(N)	108.2782	2.075	6	108.2782	4.307	6	108.2782	4.307	6	108.1139	3.778	7	110.7888	6.786	174	110.8020	7.233	223
474	818	983	0:SP3_SP1_SP2	C[5]	C[5]	C	3:3:2:2:	4:3:1:	4:1:	C[5,6a]-3:C[5]-3:C-2:O-2:	C[5]-4:N[5]-3:O-1:	C[5]-4:N-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CN)(OC)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	C(C[5]C[5,6a]C[5]O)(N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CN)(OC){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	C(C[5]C[5,6a]C[5]O)(N)	107.1280	0.000	1	107.1280	0.000	1	107.1280	0.000	1	108.1139	3.778	7	110.7888	6.786	174	110.8020	7.233	223
474	818	983	0:SP3_SP1_SP2	C[5]	C[5]	C	3:3:2:2:	4:3:1:	4:2:	C[5,6a]-3:C[5]-3:C-2:O-2:	C[5]-4:N[5]-3:O-1:	C[5]-4:C-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC)(OH)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	C(C[5]C[5,6a]C[5]O)(CC[6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC)(OH){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	C(C[5]C[5,6a]C[5]O)(CC[6a])	110.3690	0.000	1	110.3690	0.000	1	110.3690	0.000	1	110.3690	0.000	1	110.7888	6.786	174	110.8020	7.233	223
474	818	983	0:SP3_SP1_SP2	C[5]	C[5]	C	3:3:2:2:	4:3:2:	4:1:	C[5]-3:C[5]-3:C-2:C-2:	C[5]-4:C[5]-3:C-2:	C[5]-4:N-1:	C[5](C[5]C[5]C)2(CN)2	C[5](C[5]C[5]CC)(C[5]C[5]C)(CN)	C(C[5]C[5]2C)(N)	C[5](C[5]C[5]C)2(CN)2{2|C<3>}	C[5](C[5]C[5]CC)(C[5]C[5]C)(CN){1|C<2>,1|C<3>}	C(C[5]C[5]2C)(N)	111.5020	1.312	2	111.5020	1.722	2	111.5042	17.822	4	111.5042	17.822	4	110.7888	6.786	174	110.8020	7.233	223
474	818	983	0:SP3_SP1_SP2	C[5]	C[5]	C	3:3:2:2:	4:3:2:	4:1:	C[5]-3:C[5]-3:C-2:C-2:	C[5]-4:C[5]-3:C-2:	C[5]-4:N-1:	C[5](C[5]C[5]C)2(CN)2	C[5](C[5]C[5]CC)(C[5]C[5]C)(CRu)	C(C[5]C[5]2C)(N)	C[5](C[5]C[5]C)2(CN)2{2|C<3>}	C[5](C[5]C[5]CC)(C[5]C[5]C)(CRu){1|C<2>,1|C<3>}	C(C[5]C[5]2C)(N)	111.5065	7.193	2	111.5065	51.745	2	111.5042	17.822	4	111.5042	17.822	4	110.7888	6.786	174	110.8020	7.233	223
474	818	983	0:SP3_SP1_SP2	C[5]	C[5]	C	3:3:2:2:	4:4:3:	4:1:	N[5,6]-3:C[5]-3:C-2:C-2:	C[5]-4:C[5]-4:C-3:	C[5]-4:N-1:	C[5](N[5,6]C[5,6]N[6])(C[5]C[5]C)(CN)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CC)(CCC)	C(C[5]N[5,6]C[5]C)(N)	C[5](N[5,6]C[5,6]N[6])(C[5]C[5]C)(CN)2{2|C<3>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CC)(CCC){1|C<3>,1|H<1>,1|N<2>}	C(C[5]N[5,6]C[5]C)(N)	112.8462	2.703	4	112.8462	7.308	4	112.8462	7.308	4	112.8462	7.308	4	110.7888	6.786	174	110.8020	7.233	223
474	818	983	0:SP3_SP1_SP2	C[5]	C[5]	C	3:3:3:2:	3:4:1:	4:1:	C[5]-3:C[5]-3:C-3:C-2:	C[5,6a]-3:C[5]-4:H-1:	C[5]-4:N-1:	C[5](C[5]C[5,6a]H)(C[5]C[5,6a]O)(CNO)(CN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)	C(C[5]C[5]2C)(N)	C[5](C[5]C[5,6a]H)(C[5]C[5,6a]O)(CNO)(CN){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5]2C)(N)	113.2050	0.000	1	113.2050	0.000	1	113.2050	0.000	1	110.6440	6.721	3	110.7888	6.786	174	110.8020	7.233	223
474	818	983	0:SP3_SP1_SP2	C[5]	C[5]	C	3:3:3:2:	3:4:1:	4:1:	C[5]-3:C[5]-3:C-3:C-2:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:N-1:	C[5](C[5]C[5,6a]H)(C[5]C[5,6a]O)(CNO)(CN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O)	C(C[5]C[5]2C)(N)	C[5](C[5]C[5,6a]H)(C[5]C[5,6a]O)(CNO)(CN){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O){2|C<3>,2|H<1>}	C(C[5]C[5]2C)(N)	110.7060	0.000	1	110.7060	0.000	1	110.7060	0.000	1	110.6440	6.721	3	110.7888	6.786	174	110.8020	7.233	223
474	818	983	0:SP3_SP1_SP2	C[5]	C[5]	C	3:3:3:2:	3:4:1:	4:1:	C[5]-3:C[5]-3:N-3:C-2:	N[5]-3:C[5]-4:O-1:	C[5]-4:N-1:	C[5](C[5]N[5]C)(C[5]N[5]O)(NC[6a]H)(CN)	C[5](N[5]C[6a]N[5])(C[5]C[5]CN)(O)	C(C[5]C[5]2N)(N)	C[5](C[5]N[5]C)(C[5]N[5]O)(NC[6a]H)(CN){1|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]CN)(O){1|C<4>,2|C<3>}	C(C[5]C[5]2N)(N)	108.0210	0.000	1	108.0210	0.000	1	108.0210	0.000	1	110.6440	6.721	3	110.7888	6.786	174	110.8020	7.233	223
474	818	983	0:SP3_SP1_SP2	C[5]	C[5]	C	3:3:3:2:	4:2:4:	4:1:	C[5]-3:C[5]-3:N-3:C-2:	C[5]-4:N[5]-2:C-4:	C[5]-4:N-1:	C[5](C[5]N[5]C)(C[5]N[5]O)(NC[6a]H)(CN)	C[5](C[5]C[5]CN)(N[5]N[5])(CH3)	C(C[5]C[5]2N)(N)	C[5](C[5]N[5]C)(C[5]N[5]O)(NC[6a]H)(CN){1|C<3>}	C[5](C[5]C[5]CN)(N[5]N[5])(CH3){1|C<3>,1|O<1>}	C(C[5]C[5]2N)(N)	107.8750	0.000	1	107.8750	0.000	1	107.8750	0.000	1	107.8750	0.000	1	110.7888	6.786	174	110.8020	7.233	223
474	818	983	0:SP3_SP1_SP2	C[5]	C[5]	C	3:3:3:2:	4:3:1:	4:2:	C[5,6a]-3:C[5]-3:N-3:C-2:	C[5]-4:N[5]-3:O-1:	C[5]-4:C-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NCH)(CC)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O)	C(C[5]C[5,6a]C[5]N)(CC[6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NCH)(CC){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O){2|C<3>}	C(C[5]C[5,6a]C[5]N)(CC[6a])	106.4300	0.000	1	106.4300	0.000	1	106.4300	0.000	1	106.4300	0.000	1	110.7888	6.786	174	110.8020	7.233	223
474	818	983	0:SP3_SP1_SP2	C[5]	C[5]	C	3:3:3:2:	4:3:2:	4:1:	C[5,6]-3:C[6a]-3:C[5]-3:C-2:	C[5]-4:C[5]-3:C-2:	C[5]-4:N-1:	C[5](C[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)(C[5]C[5]C)(CN)	C[5](C[5]C[5,6]C[6a]C)(C[5]C[5,6]N[6])(CN)	C(C[5]C[5,6]C[6a]C[5])(N)	C[5](C[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)(C[5]C[5]C)(CN){1|C<2>,1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5](C[5]C[5,6]C[6a]C)(C[5]C[5,6]N[6])(CN){3|C<3>,3|C<4>}	C(C[5]C[5,6]C[6a]C[5])(N)	110.0330	0.000	1	110.0330	0.000	1	110.0330	0.000	1	110.0330	0.000	1	110.7888	6.786	174	110.8020	7.233	223
474	818	983	0:SP3_SP1_SP2	C[5]	C[5]	C	3:3:3:2:	4:3:3:	4:1:	C[5,6a]-3:C[5]-3:C[6a]-3:C-2:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-4:N-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)(CN)	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]C)(C[6a]C[6a]2)	C(C[5]C[5,6a]C[6a]C[5])(N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)(CN){1|C<2>,3|H<1>,6|C<3>}	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(N)	109.1570	0.000	1	109.1570	0.000	1	109.1570	0.000	1	114.5347	21.707	3	110.7888	6.786	174	110.8020	7.233	223
474	818	983	0:SP3_SP1_SP2	C[5]	C[5]	C	3:3:3:2:	4:3:3:	4:1:	C[6a]-3:C[5]-3:C[5]-3:C-2:	C[5]-4:C[5]-3:C-3:	C[5]-4:N-1:	C[5](C[6a]C[5a,6a]C[6a])(C[5]C[5]C)(C[5]C[5]O)(CN)	C[5](C[5]C[6a]C[5]C)(C[5]C[5]H)(CCC)	C(C[5]C[6a]C[5]2)(N)	C[5](C[6a]C[5a,6a]C[6a])(C[5]C[5]C)(C[5]C[5]O)(CN){2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]C)(C[5]C[5]H)(CCC){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[6a]C[5]2)(N)	117.2235	0.187	2	117.2235	0.035	2	117.2235	0.035	2	114.5347	21.707	3	110.7888	6.786	174	110.8020	7.233	223
474	818	983	0:SP3_SP1_SP2	C[5]	C[5]	C	3:3:3:2:	4:3:3:	4:2:	C[5,6a]-3:C[6a]-3:C[5]-3:C-2:	C[5]-4:C[5]-3:C-3:	C[5]-4:C-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(CC)	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]C[4])(CC[6a]C[4])	C(C[5]C[5,6a]C[6a]C[5])(CC[6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(CC){1|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]C[4])(CC[6a]C[4]){1|H<1>,2|C<4>,4|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(CC[6a])	111.3170	0.000	1	111.3170	0.000	1	111.3170	0.000	1	111.3170	0.000	1	110.7888	6.786	174	110.8020	7.233	223
474	818	983	0:SP3_SP1_SP2	C[5]	C[5]	C	3:3:3:2:	4:4:1:	4:1:	C[6a]-3:C[5]-3:C[5]-3:C-2:	C[5]-4:C[5]-4:O-1:	C[5]-4:N-1:	C[5](C[6a]C[5a,6a]C[6a])(C[5]C[5]C)(C[5]C[5]O)(CN)	C[5](C[5]C[6a]C[5]C)(C[5]C[5]CH)(O)	C(C[5]C[6a]C[5]2)(N)	C[5](C[6a]C[5a,6a]C[6a])(C[5]C[5]C)(C[5]C[5]O)(CN){2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]C)(C[5]C[5]CH)(O){1|H<1>,3|C<3>}	C(C[5]C[6a]C[5]2)(N)	107.0800	0.352	2	107.0800	0.124	2	107.0800	0.124	2	107.0800	0.124	2	110.7888	6.786	174	110.8020	7.233	223
474	818	983	0:SP3_SP1_SP2	C[5]	C[5]	C	3:3:4:2:	4:3:1:	4:2:	C[5,6a]-3:C[5]-3:C-4:C-2:	C[5]-4:N[5]-3:O-1:	C[5]-4:C-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(CC)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C(C[5]C[5,6a]C[5]C)(CC[6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(CC){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	C(C[5]C[5,6a]C[5]C)(CC[6a])	109.8920	0.000	1	109.8920	0.000	1	109.8920	0.000	1	109.8920	0.000	1	110.7888	6.786	174	110.8020	7.233	223
474	818	983	0:SP3_SP1_SP2	C[5]	C[5]	C	3:3:4:2:	4:3:2:	4:1:	C[5]-3:N[5]-3:C-4:C-2:	C[5]-4:C[5]-3:N-2:	C[5]-4:N-1:	C[5](C[5]C[5]N)(N[5]C[5]O)(CC[6a]HH)(CN)	C[5](C[5]N[5]CC)(C[5]C[5]C)(NH)	C(C[5]C[5]N[5]C)(N)	C[5](C[5]C[5]N)(N[5]C[5]O)(CC[6a]HH)(CN){2|C<3>}	C[5](C[5]N[5]CC)(C[5]C[5]C)(NH){1|C<3>,1|O<1>}	C(C[5]C[5]N[5]C)(N)	111.6730	0.000	1	111.6730	0.000	1	111.6730	0.000	1	111.6730	0.000	1	110.7888	6.786	174	110.8020	7.233	223
474	818	983	0:SP3_SP1_SP2	C[5]	C[5]	C	3:4:2:2:	3:4:3:	4:1:	C[5]-3:C[5]-4:C-2:C-2:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:N-1:	C[5](C[5]C[6a]C[5])(C[5]C[5]CH)(CN)2	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H)	C(C[5]C[5]2C)(N)	C[5](C[5]C[6a]C[5])(C[5]C[5]CH)(CN)2{1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H){3|H<1>,4|C<3>}	C(C[5]C[5]2C)(N)	110.9241	1.804	18	110.9067	2.663	22	110.9424	2.539	24	110.9424	2.539	24	110.7888	6.786	174	110.8020	7.233	223
474	818	983	0:SP3_SP1_SP2	C[5]	C[5]	C	3:4:2:2:	3:4:3:	4:1:	C[5]-3:C[5]-4:C-2:C-2:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:N-1:	C[5](C[5]C[6a]C[5])(C[5]C[5]CH)(CN)2	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H)	C(C[5]C[5]2C)(N)	C[5](C[5]C[6a]C[5])(C[5]C[5]CH)(CN)2{2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H){1|C<4>,2|C<3>,5|H<1>}	C(C[5]C[5]2C)(N)	110.8287	0.437	4	110.9067	2.663	22	110.9424	2.539	24	110.9424	2.539	24	110.7888	6.786	174	110.8020	7.233	223
474	818	983	0:SP3_SP1_SP2	C[5]	C[5]	C	3:4:2:2:	3:4:3:	4:1:	C[5]-3:C[5]-4:C-2:C-2:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:N-1:	C[5](C[5]C[6a]C[5])(C[5]N[5]HH)(CN)2	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]C)	C(C[5]C[5]2C)(N)	C[5](C[5]C[6a]C[5])(C[5]N[5]HH)(CN)2{4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]C){3|C<3>,4|H<1>}	C(C[5]C[5]2C)(N)	111.3345	1.462	2	111.3345	2.136	2	110.9424	2.539	24	110.9424	2.539	24	110.7888	6.786	174	110.8020	7.233	223
474	818	983	0:SP3_SP1_SP2	C[5]	C[5]	C	3:4:2:2:	4:2:1:	4:2:	C[5]-3:C-4:N[5]-2:C-2:	C[5]-4:S[5]-2:O-1:	C[5]-4:C-2:	C[5](C[5]S[5]O)(CC[6a]HH)(N[5]C[5])(CC)	C[5](C[5]N[5]CC)(S[5]C[5])(O)	C(C[5]C[5]N[5]C)(CC[6a])	C[5](C[5]S[5]O)(CC[6a]HH)(N[5]C[5])(CC){1|C<3>}	C[5](C[5]N[5]CC)(S[5]C[5])(O){1|C<3>}	C(C[5]C[5]N[5]C)(CC[6a])	107.4820	0.000	1	107.4820	0.000	1	107.4820	0.000	1	107.4820	0.000	1	110.7888	6.786	174	110.8020	7.233	223
474	818	983	0:SP3_SP1_SP2	C[5]	C[5]	C	3:4:3:2:	3:3:4:	4:1:	C[5]-3:C[5]-4:C-3:C-2:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-4:N-1:	C[5](C[5]C[6a]C[5])(C[5]C[5]CH)(CNO)(CN)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CC)	C(C[5]C[5]2C)(N)	C[5](C[5]C[6a]C[5])(C[5]C[5]CH)(CNO)(CN){4|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CC){3|H<1>,6|C<3>}	C(C[5]C[5]2C)(N)	111.1895	1.244	2	111.1895	1.547	2	111.1895	1.547	2	111.1895	1.547	2	110.7888	6.786	174	110.8020	7.233	223
474	818	983	0:SP3_SP1_SP2	C[5]	C[5]	C	3:4:3:2:	3:4:3:	4:1:	C[5]-3:C[5]-4:C-3:C-2:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:N-1:	C[5](C[5]C[6a]C[5])(C[5]C[5]CH)(CClN)(CN)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H)	C(C[5]C[5]2C)(N)	C[5](C[5]C[6a]C[5])(C[5]C[5]CH)(CClN)(CN){1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H){3|H<1>,4|C<3>}	C(C[5]C[5]2C)(N)	113.0280	1.116	2	113.0280	1.245	2	112.5633	1.270	3	112.5633	1.270	3	110.7888	6.786	174	110.8020	7.233	223
474	818	983	0:SP3_SP1_SP2	C[5]	C[5]	C	3:4:3:2:	3:4:3:	4:1:	C[5]-3:C[5]-4:C-3:C-2:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:N-1:	C[5](C[5]C[6a]C[5])(C[5]C[5]CH)(COO)(CN)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H)	C(C[5]C[5]2C)(N)	C[5](C[5]C[6a]C[5])(C[5]C[5]CH)(COO)(CN){1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H){3|H<1>,4|C<3>}	C(C[5]C[5]2C)(N)	111.6340	0.000	1	111.6340	0.000	1	112.5633	1.270	3	112.5633	1.270	3	110.7888	6.786	174	110.8020	7.233	223
474	818	983	0:SP3_SP1_SP2	C[5]	C[5]	C	4:3:2:1:	4:3:1:	4:1:	C[5,5]-4:C[5]-3:C-2:H-1:	C[5]-4:N[5]-3:O-1:	C[5]-4:N-1:	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]N[5]O)(CN)(H)	C[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(O)	C(C[5]C[5,5]C[5]H)(N)	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]N[5]O)(CN)(H){1|C<3>,2|H<1>,3|C<4>}	C[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(O){2|C<4>,2|H<1>}	C(C[5]C[5,5]C[5]H)(N)	112.5380	0.000	1	112.5380	0.000	1	111.3655	2.750	2	112.6513	3.122	4	110.7888	6.786	174	110.8020	7.233	223
474	818	983	0:SP3_SP1_SP2	C[5]	C[5]	C	4:3:2:1:	4:3:1:	4:1:	C[5,5]-4:C[5]-3:C-2:H-1:	C[5]-4:N[5]-3:O-1:	C[5]-4:N-1:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(CN)(H)	C[5](C[5]C[5,5]CH)(N[5]C[5]H)(O)	C(C[5]C[5,5]C[5]H)(N)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(CN)(H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[5,5]CH)(N[5]C[5]H)(O){2|C<3>,2|H<1>}	C(C[5]C[5,5]C[5]H)(N)	110.1930	0.000	1	110.1930	0.000	1	111.3655	2.750	2	112.6513	3.122	4	110.7888	6.786	174	110.8020	7.233	223
474	818	983	0:SP3_SP1_SP2	C[5]	C[5]	C	4:3:2:1:	4:3:1:	4:1:	C[5,6]-4:C[5]-3:C-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:N-1:	C[5](C[5,6]C[5,6]O[6]O)(C[5]C[5]H)(CN)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]H)(H)	C(C[5]C[5,6]C[5]H)(N)	C[5](C[5,6]C[5,6]O[6]O)(C[5]C[5]H)(CN)(H){2|C<4>,2|H<1>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]H)(H){1|C<4>,1|H<1>,2|O<2>}	C(C[5]C[5,6]C[5]H)(N)	113.9020	0.000	1	113.9020	0.000	1	113.9020	0.000	1	112.6513	3.122	4	110.7888	6.786	174	110.8020	7.233	223
474	818	983	0:SP3_SP1_SP2	C[5]	C[5]	C	4:3:2:1:	4:3:1:	4:1:	C[5]-4:C[5]-3:C-2:H-1:	C[5]-4:N[5]-3:O-1:	C[5]-4:N-1:	C[5](C[5]C[5]2H)(C[5]N[5]O)(CN)(H)	C[5](C[5]C[5]CH)(N[5]C[5]H)(O)	C(C[5]C[5]2H)(N)	C[5](C[5]C[5]2H)(C[5]N[5]O)(CN)(H){1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[5]CH)(N[5]C[5]H)(O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[5]C[5]2H)(N)	113.9720	0.000	1	113.9720	0.000	1	113.9720	0.000	1	112.6513	3.122	4	110.7888	6.786	174	110.8020	7.233	223
474	818	983	0:SP3_SP1_SP2	C[5]	C[5]	C	4:3:2:1:	4:4:3:	4:1:	C[5,5]-4:C[5]-3:C-2:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N-1:	C[5](C[5,5]C[5,6a]N[5,5]C)(C[5]C[5]C)(CN)(H)	C[5](C[5]C[5,5]CH)(C[5]N[5,5]HH)(CHH)	C(C[5]C[5,5]C[5]H)(N)	C[5](C[5,5]C[5,6a]N[5,5]C)(C[5]C[5]C)(CN)(H){1|S<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5]CH)(C[5]N[5,5]HH)(CHH){1|C<3>,1|C<4>,1|S<4>}	C(C[5]C[5,5]C[5]H)(N)	114.4950	0.000	1	114.4950	0.000	1	114.4950	0.000	1	113.3065	1.021	4	110.7888	6.786	174	110.8020	7.233	223
474	818	983	0:SP3_SP1_SP2	C[5]	C[5]	C	4:3:2:1:	4:4:3:	4:1:	C[5]-4:C[5]-3:C-2:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N-1:	C[5](C[5]C[5,5]CC)(C[5]C[5]C)(CN)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(CHH)	C(C[5]C[5]2H)(N)	C[5](C[5]C[5,5]CC)(C[5]C[5]C)(CN)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(CHH){2|C<3>,2|C<4>}	C(C[5]C[5]2H)(N)	113.7970	0.000	1	113.7970	0.000	1	112.9103	0.590	3	113.3065	1.021	4	110.7888	6.786	174	110.8020	7.233	223
474	818	983	0:SP3_SP1_SP2	C[5]	C[5]	C	4:3:2:1:	4:4:3:	4:1:	C[5]-4:C[5]-3:C-2:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N-1:	C[5](C[5]C[6a]N[5]C)(C[5]C[5]C)(CN)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CHH)	C(C[5]C[5]2H)(N)	C[5](C[5]C[6a]N[5]C)(C[5]C[5]C)(CN)(H){1|S<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CHH){1|C<3>,1|C<4>,1|S<4>}	C(C[5]C[5]2H)(N)	112.4670	0.000	2	112.4670	0.000	2	112.9103	0.590	3	113.3065	1.021	4	110.7888	6.786	174	110.8020	7.233	223
474	818	983	0:SP3_SP1_SP2	C[5]	C[5]	C	4:3:2:2:	3:4:3:	4:1:	C[5]-4:C[5]-3:C-2:C-2:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:N-1:	C[5](C[5]C[5,6a]HN)(C[5]C[5,6a]C)(CN)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(CC[6a]I)	C(C[5]C[5]2C)(N)	C[5](C[5]C[5,6a]HN)(C[5]C[5,6a]C)(CN)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(CC[6a]I){1|N<2>,2|C<3>,2|H<1>}	C(C[5]C[5]2C)(N)	113.4235	5.988	2	113.4235	35.862	2	113.4235	35.862	2	111.4576	12.169	12	110.7888	6.786	174	110.8020	7.233	223
474	818	983	0:SP3_SP1_SP2	C[5]	C[5]	C	4:3:2:2:	3:4:3:	4:1:	C[5]-4:C[5]-3:C-2:C-2:	C[5]-3:C[5]-4:N-3:	C[5]-4:N-1:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]N)(CN)2	C[5](C[5]C[6a]C[5])(C[5]C[5]CC)(NCH)	C(C[5]C[5]2C)(N)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]N)(CN)2{2|C<2>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]CC)(NCH){1|H<1>,2|C<2>,3|C<3>}	C(C[5]C[5]2C)(N)	111.2308	4.481	4	111.2308	20.082	4	111.2308	20.082	4	111.4576	12.169	12	110.7888	6.786	174	110.8020	7.233	223
474	818	983	0:SP3_SP1_SP2	C[5]	C[5]	C	4:3:2:2:	3:4:3:	4:1:	C[5]-4:C[5]-3:C-2:C-2:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:N-1:	C[5](C[5]C[6a]C[5]C)(C[5]C[6a]C[5])(CN)2	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]C)	C(C[5]C[5]2C)(N)	C[5](C[5]C[6a]C[5]C)(C[5]C[6a]C[5])(CN)2{2|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]C){4|C<3>,4|H<1>}	C(C[5]C[5]2C)(N)	108.5020	2.712	2	108.5020	7.357	2	110.9535	5.658	6	111.4576	12.169	12	110.7888	6.786	174	110.8020	7.233	223
474	818	983	0:SP3_SP1_SP2	C[5]	C[5]	C	4:3:2:2:	3:4:3:	4:1:	C[5]-4:C[5]-3:C-2:C-2:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:N-1:	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(CN)2	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]N)	C(C[5]C[5]2C)(N)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(CN)2{1|N<3>,2|C<2>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]N){2|C<2>,3|C<3>,3|H<1>}	C(C[5]C[5]2C)(N)	112.1792	0.984	4	112.1792	0.968	4	110.9535	5.658	6	111.4576	12.169	12	110.7888	6.786	174	110.8020	7.233	223
474	818	983	0:SP3_SP1_SP2	C[5]	C[5]	C	4:3:2:2:	4:2:1:	4:1:	C[5,5]-4:C[5]-3:C-2:C-2:	C[5]-4:N[5]-2:H-1:	C[5]-4:N-1:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]H)(CN)2	C[5](C[5]C[5,5]CC)(N[5]C[5])(H)	C(C[5]C[5,5]C[5]C)(N)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]H)(CN)2{1|N<3>,1|O<1>,4|C<3>}	C[5](C[5]C[5,5]CC)(N[5]C[5])(H){4|C<3>}	C(C[5]C[5,5]C[5]C)(N)	110.3110	6.177	2	110.3110	38.159	2	110.3110	38.159	2	110.3110	38.159	2	110.7888	6.786	174	110.8020	7.233	223
474	818	983	0:SP3_SP1_SP2	C[5]	C[5]	C	4:3:2:2:	4:2:1:	4:2:	C[5]-4:C[5]-3:C-2:O-2:	C[5]-4:O[5]-2:O-1:	C[5]-4:C-2:	C[5](C[5]C[5]CC)(C[5]O[5]O)(CC)(OC)	C[5](C[5]C[5]CO)(O[5]C[5])(O)	C(C[5]C[5]2O)(CH)	C[5](C[5]C[5]CC)(C[5]O[5]O)(CC)(OC){2|H<1>}	C[5](C[5]C[5]CO)(O[5]C[5])(O){2|C<4>,2|H<1>}	C(C[5]C[5]2O)(CH)	105.9460	0.000	1	105.9460	0.000	1	106.0310	0.014	2	106.0310	0.014	2	110.7888	6.786	174	110.8020	7.233	223
474	818	983	0:SP3_SP1_SP2	C[5]	C[5]	C	4:3:2:2:	4:2:1:	4:2:	C[5]-4:C[5]-3:C-2:O-2:	C[5]-4:O[5]-2:O-1:	C[5]-4:C-2:	C[5](C[5]C[5]CC)(C[5]O[5]O)(CC)(OH)	C[5](C[5]C[5]CO)(O[5]C[5])(O)	C(C[5]C[5]2O)(CH)	C[5](C[5]C[5]CC)(C[5]O[5]O)(CC)(OH){2|H<1>}	C[5](C[5]C[5]CO)(O[5]C[5])(O){2|C<4>,2|H<1>}	C(C[5]C[5]2O)(CH)	106.1160	0.000	1	106.1160	0.000	1	106.0310	0.014	2	106.0310	0.014	2	110.7888	6.786	174	110.8020	7.233	223
474	818	983	0:SP3_SP1_SP2	C[5]	C[5]	C	4:3:2:2:	4:3:1:	4:1:	C[5,5]-4:C[5]-3:C-2:C-2:	C[5]-4:C[5]-3:H-1:	C[5]-4:N-1:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(CN)2	C[5](C[5]C[5,5]CC)(C[5]C[5]C)(H)	C(C[5]C[5,5]C[5]C)(N)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(CN)2{1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5]C[5,5]CC)(C[5]C[5]C)(H){1|H<1>,3|C<3>}	C(C[5]C[5,5]C[5]C)(N)	111.2065	4.181	2	111.2065	17.482	2	111.2065	17.482	2	110.0768	9.152	6	110.7888	6.786	174	110.8020	7.233	223
474	818	983	0:SP3_SP1_SP2	C[5]	C[5]	C	4:3:2:2:	4:3:1:	4:1:	C[5,5]-4:C[5]-3:C-2:C-2:	C[5]-4:C[5]-3:O-1:	C[5]-4:N-1:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(CN)2	C[5](C[5]C[5,5]CC)(C[5]C[5]P)(O)	C(C[5]C[5,5]C[5]C)(N)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(CN)2{1|N<3>,1|O<1>,1|O<2>,1|P<4>,3|C<3>}	C[5](C[5]C[5,5]CC)(C[5]C[5]P)(O){1|O<2>,3|C<3>}	C(C[5]C[5,5]C[5]C)(N)	109.6620	3.574	2	109.6620	12.771	2	109.6620	12.771	2	110.0768	9.152	6	110.7888	6.786	174	110.8020	7.233	223
474	818	983	0:SP3_SP1_SP2	C[5]	C[5]	C	4:3:2:2:	4:3:1:	4:1:	C[5,5]-4:C[5]-3:C-2:C-2:	C[5]-4:N[5]-3:S-1:	C[5]-4:N-1:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]S)(CN)2	C[5](C[5]C[5,5]CC)(N[5]C[5]H)(S)	C(C[5]C[5,5]C[5]C)(N)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]S)(CN)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,5]CC)(N[5]C[5]H)(S){1|H<1>,3|C<3>}	C(C[5]C[5,5]C[5]C)(N)	109.3620	3.404	2	109.3620	11.587	2	109.3620	11.587	2	110.0768	9.152	6	110.7888	6.786	174	110.8020	7.233	223
474	818	983	0:SP3_SP1_SP2	C[5]	C[5]	C	4:3:2:2:	4:3:3:	4:1:	C[4,5,5]-4:C[5]-3:C-2:C-2:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-4:N-1:	C[5](C[4,5,5]C[4,5]C[5,5]C[4])(C[5]C[6a]C[5])(CN)2	C[5](C[5]C[4,5,5]CC)(C[5]C[5,5]H)(C[6a]C[6a]2)	C(C[5]C[4,5,5]C[5]C)(N)	C[5](C[4,5,5]C[4,5]C[5,5]C[4])(C[5]C[6a]C[5])(CN)2{1|C<2>,2|H<1>,6|C<3>}	C[5](C[5]C[4,5,5]CC)(C[5]C[5,5]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	C(C[5]C[4,5,5]C[5]C)(N)	113.1120	2.546	2	113.1120	6.480	2	113.1120	6.480	2	112.1101	5.156	16	110.7888	6.786	174	110.8020	7.233	223
474	818	983	0:SP3_SP1_SP2	C[5]	C[5]	C	4:3:2:2:	4:3:3:	4:1:	C[5,5]-4:C[5]-3:C-2:C-2:	C[5]-4:C[5]-3:C-3:	C[5]-4:N-1:	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[5]C)(CN)2	C[5](C[5]C[5,5]CC)(C[5]C[5,5]H)(COO)	C(C[5]C[5,5]C[5]C)(N)	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[5]C)(CN)2{2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,5]CC)(C[5]C[5,5]H)(COO){1|C<3>,1|H<1>,2|C<4>}	C(C[5]C[5,5]C[5]C)(N)	111.1180	5.559	2	111.1180	30.906	2	112.0810	12.639	4	112.1101	5.156	16	110.7888	6.786	174	110.8020	7.233	223
474	818	983	0:SP3_SP1_SP2	C[5]	C[5]	C	4:3:2:2:	4:3:3:	4:1:	C[5,5]-4:C[5]-3:C-2:C-2:	C[5]-4:C[5]-3:C-3:	C[5]-4:N-1:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]C)(CN)2	C[5](C[5]C[5,5]CC)(C[5]C[5]O)(CC[6a]H)	C(C[5]C[5,5]C[5]C)(N)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]C)(CN)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[5](C[5]C[5,5]CC)(C[5]C[5]O)(CC[6a]H){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,5]C[5]C)(N)	113.0440	1.817	2	113.0440	3.302	2	112.0810	12.639	4	112.1101	5.156	16	110.7888	6.786	174	110.8020	7.233	223
474	818	983	0:SP3_SP1_SP2	C[5]	C[5]	C	4:3:2:2:	4:3:3:	4:1:	C[5,5]-4:C[5]-3:C-2:C-2:	C[5]-4:C[5]-3:N-3:	C[5]-4:N-1:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]N)(CN)2	C[5](C[5]C[5,5]CC)(C[5]C[5,5]C)(NHH)	C(C[5]C[5,5]C[5]C)(N)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]N)(CN)2{1|C<2>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5]C[5,5]CC)(C[5]C[5,5]C)(NHH){4|C<3>}	C(C[5]C[5,5]C[5]C)(N)	111.1315	1.539	2	111.1315	2.370	2	111.1315	2.370	2	112.1101	5.156	16	110.7888	6.786	174	110.8020	7.233	223
474	818	983	0:SP3_SP1_SP2	C[5]	C[5]	C	4:3:2:2:	4:3:3:	4:1:	C[5,5]-4:C[5]-3:C-2:C-2:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-4:N-1:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5])(CN)2	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]C[5]C)	C(C[5]C[5,5]C[5]C)(N)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5])(CN)2{1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]C[5]C){4|C<3>,4|H<1>}	C(C[5]C[5,5]C[5]C)(N)	112.1920	3.039	2	112.1920	9.236	2	112.1920	9.236	2	112.1101	5.156	16	110.7888	6.786	174	110.8020	7.233	223
474	818	983	0:SP3_SP1_SP2	C[5]	C[5]	C	4:3:2:2:	4:3:3:	4:1:	C[5]-4:C[5]-3:C-2:C-2:	C[5]-4:C[5]-3:C-3:	C[5]-4:N-1:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(CN)2	C[5](C[5]C[5]CC)(C[5]C[5]H)(CCP)	C(C[5]C[5]2C)(N)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(CN)2{2|H<1>,3|C<3>}	C[5](C[5]C[5]CC)(C[5]C[5]H)(CCP){2|C<3>,2|H<1>}	C(C[5]C[5]2C)(N)	112.3607	0.991	4	112.3607	0.982	4	112.0943	3.479	6	112.1101	5.156	16	110.7888	6.786	174	110.8020	7.233	223
474	818	983	0:SP3_SP1_SP2	C[5]	C[5]	C	4:3:2:2:	4:3:3:	4:1:	C[5]-4:C[5]-3:C-2:C-2:	C[5]-4:C[5]-3:C-3:	C[5]-4:N-1:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(CN)2	C[5](C[5]C[5]CC)(C[5]C[5]H)(CC[6a]2)	C(C[5]C[5]2C)(N)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(CN)2{1|H<1>,3|C<3>}	C[5](C[5]C[5]CC)(C[5]C[5]H)(CC[6a]2){1|H<1>,2|C<3>}	C(C[5]C[5]2C)(N)	111.5615	3.688	2	111.5615	13.598	2	112.0943	3.479	6	112.1101	5.156	16	110.7888	6.786	174	110.8020	7.233	223
474	818	983	0:SP3_SP1_SP2	C[5]	C[5]	C	4:3:2:2:	4:3:4:	4:1:	C[5]-4:C[5]-3:C-2:C-2:	C[5]-4:C[5]-3:C-4:	C[5]-4:N-1:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CN)2	C[5](C[5]C[5]CC)(C[5]C[5]C)(CH3)	C(C[5]C[5]2C)(N)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CN)2{1|O<2>,2|C<3>}	C[5](C[5]C[5]CC)(C[5]C[5]C)(CH3){1|C<3>,1|O<2>,2|H<1>}	C(C[5]C[5]2C)(N)	111.0080	0.382	2	111.0080	0.146	2	111.0080	0.146	2	111.0080	0.146	2	110.7888	6.786	174	110.8020	7.233	223
474	818	983	0:SP3_SP1_SP2	C[5]	C[5]	C	4:3:2:2:	4:4:1:	4:2:	C[5,6]-4:C[5]-3:C-2:O-2:	C[5]-4:C[5]-4:H-1:	C[5]-4:C-2:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CC)(OH)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)	C(C[5]C[5,6]C[5]O)(CC[6a])	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CC)(OH){2|C<4>,5|H<1>}	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H){1|H<1>,3|C<4>}	C(C[5]C[5,6]C[5]O)(CC[6a])	111.9420	0.000	1	111.9420	0.000	1	111.0320	1.656	2	111.0320	1.656	2	110.7888	6.786	174	110.8020	7.233	223
474	818	983	0:SP3_SP1_SP2	C[5]	C[5]	C	4:3:2:2:	4:4:1:	4:2:	C[5,6]-4:C[5]-3:C-2:O-2:	C[5]-4:C[5]-4:H-1:	C[5]-4:C-2:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CC)(OH)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)	C(C[5]C[5,6]C[5]O)(CH)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CC)(OH){2|C<4>,5|H<1>}	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H){1|H<1>,3|C<4>}	C(C[5]C[5,6]C[5]O)(CH)	110.1220	0.000	1	110.1220	0.000	1	111.0320	1.656	2	111.0320	1.656	2	110.7888	6.786	174	110.8020	7.233	223
474	818	983	0:SP3_SP1_SP2	C[5]	C[5]	C	4:3:2:2:	4:4:3:	4:2:	C[5,5]-4:C[5]-3:C-2:O-2:	C[5]-4:C[5]-4:C-3:	C[5]-4:C-2:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]C)(CC)(OH)	C[5](C[5]C[5,5]CO)(C[5]C[5]HH)(CC[6a]H)	C(C[5]C[5,5]C[5]O)(CC)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]C)(CC)(OH){1|C<3>,3|C<4>,5|H<1>}	C[5](C[5]C[5,5]CO)(C[5]C[5]HH)(CC[6a]H){1|H<1>,1|N<3>,2|C<4>}	C(C[5]C[5,5]C[5]O)(CC)	108.9500	0.000	1	108.9500	0.000	1	108.9500	0.000	1	108.9500	0.000	1	110.7888	6.786	174	110.8020	7.233	223
474	818	983	0:SP3_SP1_SP2	C[5]	C[5]	C	4:3:3:2:	3:4:1:	4:1:	C[5]-4:C[5]-3:C-3:C-2:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:N-1:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(COO)(CN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O)	C(C[5]C[5]2C)(N)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(COO)(CN){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O){2|C<3>,3|H<1>}	C(C[5]C[5]2C)(N)	109.0720	0.000	1	109.0720	0.000	1	109.0720	0.000	1	109.0720	0.000	1	110.7888	6.786	174	110.8020	7.233	223
474	818	983	0:SP3_SP1_SP2	C[5]	C[5]	C	4:3:3:2:	3:4:2:	4:1:	C[5]-4:C[5]-3:C-3:C-2:	N[5]-3:C[5]-4:N-2:	C[5]-4:N-1:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]N)(CNS)(CN)	C[5](N[5]C[5]C[6])(C[5]C[5]CC)(NH)	C(C[5]C[5]2C)(N)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]N)(CNS)(CN){1|C<4>,1|S<1>,2|C<3>}	C[5](N[5]C[5]C[6])(C[5]C[5]CC)(NH){1|C<3>,1|S<1>,2|C<4>,2|H<1>}	C(C[5]C[5]2C)(N)	106.6870	0.000	1	106.6870	0.000	1	106.6870	0.000	1	106.6870	0.000	1	110.7888	6.786	174	110.8020	7.233	223
474	818	983	0:SP3_SP1_SP2	C[5]	C[5]	C	4:3:3:2:	3:4:3:	4:1:	C[5]-4:C[5]-3:C-3:C-2:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:N-1:	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]C)(COO)(CN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(CC[6a]H)	C(C[5]C[5]2C)(N)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]C)(COO)(CN){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(CC[6a]H){1|C<4>,2|C<3>,2|H<1>}	C(C[5]C[5]2C)(N)	108.8040	0.000	1	108.8040	0.000	1	108.8040	0.000	1	110.3787	6.855	3	110.7888	6.786	174	110.8020	7.233	223
474	818	983	0:SP3_SP1_SP2	C[5]	C[5]	C	4:3:3:2:	3:4:3:	4:1:	C[5]-4:C[5]-3:C-3:C-2:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:N-1:	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(COO)(CN)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H)	C(C[5]C[5]2C)(N)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(COO)(CN){2|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H){4|C<3>,4|H<1>}	C(C[5]C[5]2C)(N)	108.9310	0.000	1	108.9310	0.000	1	111.1660	9.990	2	110.3787	6.855	3	110.7888	6.786	174	110.8020	7.233	223
474	818	983	0:SP3_SP1_SP2	C[5]	C[5]	C	4:3:3:2:	3:4:3:	4:1:	C[5]-4:C[5]-3:C-3:C-2:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:N-1:	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]C[5])(COO)(CN)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]C)	C(C[5]C[5]2C)(N)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]C[5])(COO)(CN){6|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]C){3|H<1>,4|C<3>}	C(C[5]C[5]2C)(N)	113.4010	0.000	1	113.4010	0.000	1	111.1660	9.990	2	110.3787	6.855	3	110.7888	6.786	174	110.8020	7.233	223
474	818	983	0:SP3_SP1_SP2	C[5]	C[5]	C	4:3:3:2:	4:3:1:	4:1:	C[5,5]-4:C[5]-3:C-3:C-2:	C[5]-4:C[5]-3:H-1:	C[5]-4:N-1:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(COO)(CN)	C[5](C[5]C[5,5]CC)(C[5]C[5]C)(H)	C(C[5]C[5,5]C[5]C)(N)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(COO)(CN){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5]C[5,5]CC)(C[5]C[5]C)(H){1|H<1>,3|C<3>}	C(C[5]C[5,5]C[5]C)(N)	108.5980	0.000	1	108.5980	0.000	1	108.5980	0.000	1	108.5980	0.000	1	110.7888	6.786	174	110.8020	7.233	223
474	818	983	0:SP3_SP1_SP2	C[5]	C[5]	C	4:3:3:2:	4:3:2:	4:1:	C[5,6]-4:C[5]-3:C-3:C-2:	C[5]-4:C[5]-3:N-2:	C[5]-4:N-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]N)(CNO)(CN)	C[5](C[5]C[5,6]CC)(C[5]C[5,6]Si)(NC)	C(C[5]C[5,6]C[5]C)(N)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]N)(CNO)(CN){1|Si<4>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6]CC)(C[5]C[5,6]Si)(NC){1|H<1>,2|C<4>}	C(C[5]C[5,6]C[5]C)(N)	114.1240	2.069	2	114.1240	4.281	2	114.1240	4.281	2	114.1240	4.281	2	110.7888	6.786	174	110.8020	7.233	223
474	818	983	0:SP3_SP1_SP2	C[5]	C[5]	C	4:3:3:2:	4:3:3:	4:1:	C[5]-4:C[5]-3:C-3:C-2:	C[5]-4:C[5]-3:C-3:	C[5]-4:N-1:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6]O)(CN)	C[5](C[5]C[5]CC)(C[5]C[5]H)(CC[6a]O)	C(C[5]C[5]2C)(N)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6]O)(CN){3|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]H)(CC[6a]O){4|H<1>}	C(C[5]C[5]2C)(N)	109.8990	0.000	1	109.8990	0.000	1	111.3095	3.979	2	111.3095	3.979	2	110.7888	6.786	174	110.8020	7.233	223
474	818	983	0:SP3_SP1_SP2	C[5]	C[5]	C	4:3:3:2:	4:3:3:	4:1:	C[5]-4:C[5]-3:C-3:C-2:	C[5]-4:C[5]-3:C-3:	C[5]-4:N-1:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CNO)(CN)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCH)	C(C[5]C[5]2C)(N)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CNO)(CN){2|C<3>}	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCH){1|C<3>,2|H<1>}	C(C[5]C[5]2C)(N)	112.7200	0.000	1	112.7200	0.000	1	111.3095	3.979	2	111.3095	3.979	2	110.7888	6.786	174	110.8020	7.233	223
474	818	983	0:SP3_SP1_SP2	C[5]	C[5]	C	4:3:3:2:	4:3:4:	4:1:	C[5]-4:C[5]-3:C-3:C-2:	C[5]-4:C[5]-3:C-4:	C[5]-4:N-1:	C[5](C[5]C[5]HH)(C[5]C[5]C)(COO)(CN)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CH3)	C(C[5]C[5]2C)(N)	C[5](C[5]C[5]HH)(C[5]C[5]C)(COO)(CN){1|C<3>,1|C<4>,1|O<2>}	C[5](C[5]C[5]CC)(C[5]C[5]C)(CH3){1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]2C)(N)	109.2650	0.000	1	109.2650	0.000	1	109.2650	0.000	1	109.2650	0.000	1	110.7888	6.786	174	110.8020	7.233	223
474	818	983	0:SP3_SP1_SP2	C[5]	C[5]	C	4:3:4:2:	3:4:1:	4:1:	C[5]-4:C[5]-3:C-4:C-2:	C[5,6a]-3:C[5]-4:O-1:	C[5]-4:N-1:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCHH)(CN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O)	C(C[5]C[5]2C)(N)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCHH)(CN){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O){2|C<3>,3|H<1>}	C(C[5]C[5]2C)(N)	104.1980	0.000	1	104.1980	0.000	1	104.1980	0.000	1	104.1980	0.000	1	110.7888	6.786	174	110.8020	7.233	223
474	818	983	0:SP3_SP1_SP2	C[5]	C[5]	C	4:3:4:2:	4:2:1:	4:2:	C[5]-4:C[5]-3:C-4:C-2:	C[5]-4:O[5]-2:O-1:	C[5]-4:C-2:	C[5](C[5]C[5]HO)(C[5]O[5]O)(CH3)(CC)	C[5](C[5]C[5]CC)(O[5]C[5])(O)	C(C[5]C[5]2C)(CSi)	C[5](C[5]C[5]HO)(C[5]O[5]O)(CH3)(CC){1|C<4>,1|H<1>}	C[5](C[5]C[5]CC)(O[5]C[5])(O){1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]2C)(CSi)	106.1220	0.000	1	106.1220	0.000	1	106.1220	0.000	1	106.1220	0.000	1	110.7888	6.786	174	110.8020	7.233	223
474	818	983	0:SP3_SP1_SP2	C[5]	C[5]	C	4:3:4:2:	4:3:3:	4:1:	C[5]-4:C[5]-3:C-4:C-2:	C[5]-4:C[5]-3:N-3:	C[5]-4:N-1:	C[5](C[5]C[5]CH)(C[5]C[5]N)(CH3)(CN)	C[5](C[5]C[5]CC)(C[5]C[5]C)(NHH)	C(C[5]C[5]2C)(N)	C[5](C[5]C[5]CH)(C[5]C[5]N)(CH3)(CN){1|C<3>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]C)(NHH){1|C<3>,3|H<1>}	C(C[5]C[5]2C)(N)	110.3730	3.954	2	110.3730	15.635	2	109.7807	5.761	7	109.7807	5.761	7	110.7888	6.786	174	110.8020	7.233	223
474	818	983	0:SP3_SP1_SP2	C[5]	C[5]	C	4:3:4:2:	4:3:3:	4:1:	C[5]-4:C[5]-3:C-4:C-2:	C[5]-4:C[5]-3:N-3:	C[5]-4:N-1:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]N)(CCHH)(CN)	C[5](C[5]C[5]CC)(C[5]C[5]C)(NHH)	C(C[5]C[5]2C)(N)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]N)(CCHH)(CN){2|H<1>,3|C<3>}	C[5](C[5]C[5]CC)(C[5]C[5]C)(NHH){1|C<3>,3|H<1>}	C(C[5]C[5]2C)(N)	108.7280	3.080	2	108.7280	9.487	2	109.7807	5.761	7	109.7807	5.761	7	110.7888	6.786	174	110.8020	7.233	223
474	818	983	0:SP3_SP1_SP2	C[5]	C[5]	C	4:3:4:2:	4:3:3:	4:1:	C[5]-4:C[5]-3:C-4:C-2:	C[5]-4:C[5]-3:N-3:	C[5]-4:N-1:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]N)(CH3)(CN)	C[5](C[5]C[5]CC)(C[5]C[5]C)(NHH)	C(C[5]C[5]2C)(N)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]N)(CH3)(CN){2|H<1>,3|C<3>}	C[5](C[5]C[5]CC)(C[5]C[5]C)(NHH){1|C<3>,3|H<1>}	C(C[5]C[5]2C)(N)	110.3495	2.415	2	110.3495	5.831	2	109.7807	5.761	7	109.7807	5.761	7	110.7888	6.786	174	110.8020	7.233	223
474	818	983	0:SP3_SP1_SP2	C[5]	C[5]	C	4:3:4:2:	4:3:3:	4:1:	C[5]-4:C[5]-3:C-4:C-2:	C[5]-4:C[5]-3:N-3:	C[5]-4:N-1:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]N)(CCCH)(CN)	C[5](C[5]C[5]CC)(C[5]O[5]C)(NHH)	C(C[5]C[5]2C)(N)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]N)(CCCH)(CN){3|C<3>}	C[5](C[5]C[5]CC)(C[5]O[5]C)(NHH){1|C<3>,1|H<1>}	C(C[5]C[5]2C)(N)	109.5640	0.000	1	109.5640	0.000	1	109.7807	5.761	7	109.7807	5.761	7	110.7888	6.786	174	110.8020	7.233	223
474	818	983	0:SP3_SP1_SP2	C[5]	C[5]	C	4:3:4:2:	4:4:1:	4:1:	C[5]-4:C[5]-3:C-4:C-2:	C[5]-4:C[5]-4:O-1:	C[5]-4:N-1:	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)(CN)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O)	C(C[5]C[5]2C)(N)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)(CN){4|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O){4|H<1>}	C(C[5]C[5]2C)(N)	110.5597	1.067	4	110.5597	1.138	4	109.6035	3.126	18	109.6035	3.126	18	110.7888	6.786	174	110.8020	7.233	223
474	818	983	0:SP3_SP1_SP2	C[5]	C[5]	C	4:3:4:2:	4:4:1:	4:1:	C[5]-4:C[5]-3:C-4:C-2:	C[5]-4:C[5]-4:O-1:	C[5]-4:N-1:	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCHN)(CN)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O)	C(C[5]C[5]2C)(N)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCHN)(CN){4|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O){4|H<1>}	C(C[5]C[5]2C)(N)	111.2500	0.000	1	111.2500	0.000	1	109.6035	3.126	18	109.6035	3.126	18	110.7888	6.786	174	110.8020	7.233	223
474	818	983	0:SP3_SP1_SP2	C[5]	C[5]	C	4:3:4:2:	4:4:1:	4:1:	C[5]-4:C[5]-3:C-4:C-2:	C[5]-4:C[5]-4:O-1:	C[5]-4:N-1:	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HN)(CN)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O)	C(C[5]C[5]2C)(N)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HN)(CN){4|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O){4|H<1>}	C(C[5]C[5]2C)(N)	109.1826	1.850	13	109.1826	3.421	13	109.6035	3.126	18	109.6035	3.126	18	110.7888	6.786	174	110.8020	7.233	223
474	818	983	0:SP3_SP1_SP2	C[5]	C[5]	C	4:3:4:2:	4:4:3:	4:1:	C[5]-4:C[5]-3:C-4:C-2:	C[5]-4:C[5]-4:C-3:	C[5]-4:N-1:	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCHO)(CN)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CSiH)	C(C[5]C[5]2C)(N)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCHO)(CN){4|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CSiH){1|C<4>,3|H<1>}	C(C[5]C[5]2C)(N)	107.5060	0.000	1	107.5060	0.000	1	109.6905	9.544	2	109.6905	9.544	2	110.7888	6.786	174	110.8020	7.233	223
474	818	983	0:SP3_SP1_SP2	C[5]	C[5]	C	4:3:4:2:	4:4:3:	4:1:	C[5]-4:C[5]-3:C-4:C-2:	C[5]-4:C[5]-4:C-3:	C[5]-4:N-1:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]C)(CCHH)(CN)	C[5](C[5]C[5]CC)(C[5]N[5]HH)(CHH)	C(C[5]C[5]2C)(N)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]C)(CCHH)(CN){1|S<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]N[5]HH)(CHH){1|C<3>,1|H<1>,1|S<4>}	C(C[5]C[5]2C)(N)	111.8750	0.000	1	111.8750	0.000	1	109.6905	9.544	2	109.6905	9.544	2	110.7888	6.786	174	110.8020	7.233	223
474	818	984	0:SP3_SP-NON_SP2	C[5]	C[5,6]	Ga	3:4:4:1:	3:4:3:	4:1:1:1:	C[5,6]-3:P[5]-4:Ga-4:H-1:	N[5,6]-3:C[5]-4:C[6]-3:	C[5]-4:Cl-1:Cl-1:Cl-1:	C[5](C[5,6]N[5,6]C[6])(P[5]B[5]CC)(GaCl3)(H)	C[5,6](N[5,6]B[5]C[6])(C[5]P[5]GaH)(C[6]C[6]H)	Ga(C[5]C[5,6]P[5]H)(Cl)3	C[5](C[5,6]N[5,6]C[6])(P[5]B[5]CC)(GaCl3)(H){1|Cl<1>,1|H<1>,3|C<3>}	C[5,6](N[5,6]B[5]C[6])(C[5]P[5]GaH)(C[6]C[6]H){1|Cl<1>,1|H<1>,2|C<3>,3|C<4>}	Ga(C[5]C[5,6]P[5]H)(Cl)3	114.0010	0.000	1	114.0010	0.000	1	114.0010	0.000	1	114.0010	0.000	1	114.0010	0.000	1	101.8004	33.471	13
474	818	984	0:SP3_SP-NON_SP2	C[5]	C[5]	Ga	3:3:4:1:	4:3:1:	4:1:1:1:	C[5,6a]-3:C[5]-3:Ga-4:H-1:	C[5]-4:N[5]-3:H-1:	C[5]-4:Cl-1:Cl-1:Cl-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(GaCl3)(H)	C[5](C[5]C[5,6a]GaH)(N[5]C[5,6a]C)(H)	Ga(C[5]C[5,6a]C[5]H)(Cl)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(GaCl3)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]GaH)(N[5]C[5,6a]C)(H){2|C<3>}	Ga(C[5]C[5,6a]C[5]H)(Cl)3	100.1226	0.730	2	100.1226	0.533	2	100.1226	0.533	2	100.1226	0.533	2	100.7837	21.854	12	101.8004	33.471	13
474	818	984	0:SP3_SP-NON_SP2	C[5]	C[5]	Ga	3:3:4:4:	4:3:4:	4:1:1:1:	C[5]-3:C[5]-3:Ga-4:Si-4:	C[5]-4:C[5]-3:C-4:	C[5]-4:Cl-1:Cl-1:Cl-1:	C[5](C[5]C[5]C)2(GaCl3)(SiCCN)	C[5](C[5]C[5]GaSi)(C[5]C[5]C)(CH3)	Ga(C[5]C[5]2Si)(Cl)3	C[5](C[5]C[5]C)2(GaCl3)(SiCCN){2|C<4>}	C[5](C[5]C[5]GaSi)(C[5]C[5]C)(CH3){2|C<4>}	Ga(C[5]C[5]2Si)(Cl)3	105.4895	0.069	4	105.4895	0.005	4	105.4895	0.005	4	105.4895	0.005	4	100.7837	21.854	12	101.8004	33.471	13
474	818	984	0:SP3_SP-NON_SP2	C[5]	C[5]	Ga	4:3:3:4:	4:3:1:	4:3:1:1:	Ga-4:C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:	C[5]-4:O[5]-3:Cl-1:Cl-1:	C[5](GaO[5]Cl2)(C[5]C[5]C)(C[5]C[5]H)(CC3)	C[5](C[5]C[5]GaC)(C[5]C[5]C)(H)	Ga(C[5]C[5]2C)(O[5]C[5]2)(Cl)2	C[5](GaO[5]Cl2)(C[5]C[5]C)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	C[5](C[5]C[5]GaC)(C[5]C[5]C)(H){1|C<4>,1|H<1>}	Ga(C[5]C[5]2C)(O[5]C[5]2)(Cl)2	95.2456	0.330	2	95.2456	0.109	2	95.2456	0.109	2	95.2456	0.109	2	100.7837	21.854	12	101.8004	33.471	13
474	818	984	0:SP3_SP-NON_SP2	C[5]	C[5]	Ga	4:3:3:4:	4:3:4:	3:4:1:1:	Ga-4:C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[6a]-3:C[5]-4:Cl-1:Cl-1:	C[5](GaC[6a]Cl2)(C[5]C[5]C)2(CH3)	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3)	Ga(C[6a]C[6a]2)(C[5]C[5]2C)(Cl)2	C[5](GaC[6a]Cl2)(C[5]C[5]C)2(CH3){2|C<4>}	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3){2|C<4>}	Ga(C[6a]C[6a]2)(C[5]C[5]2C)(Cl)2	94.7447	0.059	2	94.7447	0.003	2	94.7447	0.003	2	94.7447	0.003	2	100.7837	21.854	12	101.8004	33.471	13
474	818	984	0:SP3_SP-NON_SP2	C[5]	C[5]	Ga	4:3:3:4:	4:3:4:	4:3:1:1:	Ga-4:C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-4:O[5]-3:Cl-1:Cl-1:	C[5](GaO[5]Cl2)(C[5]C[5]C)(C[5]C[5]H)(CC3)	C[5](C[5]C[5]GaC)(C[5]C[5]H)(CC3)	Ga(C[5]C[5]2C)(O[5]C[5]2)(Cl)2	C[5](GaO[5]Cl2)(C[5]C[5]C)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	C[5](C[5]C[5]GaC)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	Ga(C[5]C[5]2C)(O[5]C[5]2)(Cl)2	103.6105	0.148	2	103.6105	0.022	2	103.6105	0.022	2	103.6105	0.022	2	100.7837	21.854	12	101.8004	33.471	13
474	818	987	5:SP3_SP-NON_SP2	C[5]	C[5]	P[5]	3:2:4:1:	4:3:4:	4:3:	C[5]-3:P[5]-2:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]C)(P[5]C[5])(CC3)(H)	C[5](C[5]P[5]CH)(C[5]C[5]O)(CC3)	P[5](C[5]C[5]CH)(C[5]C[5]C)	C[5](C[5]C[5]C)(P[5]C[5])(CC3)(H){1|C<3>,1|O<2>}	C[5](C[5]P[5]CH)(C[5]C[5]O)(CC3){1|C<3>}	P[5](C[5]C[5]CH)(C[5]C[5]C){1|C<4>,1|O<2>}	106.5190	0.174	2	106.5190	0.030	2	106.5190	0.030	2	106.5190	0.030	2	106.5190	0.030	2	106.5190	0.030	2
474	818	989	5:SP3_SP2_SP2	C[5]	C[5]	Si[5]	3:3:4:1:	3:4:3:	4:4:3:	Si[5]-3:C[5]-3:Si-4:H-1:	C[5]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5]-4:C[6a]-3:	C[5](Si[5]C[6a]C[5])(C[5]C[6a]C[5])(SiC3)(H)	C[5](C[5]C[6a]C[5])(C[5]Si[5]SiH)(C[6a]C[6a]2)	Si[5](C[5]C[5]SiH)2(C[6a]C[6a]2)	C[5](Si[5]C[6a]C[5])(C[5]C[6a]C[5])(SiC3)(H){1|Si<4>,1|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(C[5]Si[5]SiH)(C[6a]C[6a]2){1|Si<4>,3|H<1>,5|C<3>}	Si[5](C[5]C[5]SiH)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	102.4275	0.175	2	102.4275	0.031	2	102.4275	0.031	2	102.4275	0.031	2	102.4275	0.031	2	102.4275	0.031	2
474	818	992	0:SP3_SP2_SP3	C[5,5]	C[5]	P	3:3:3:4:	3:4:1:	4:2:2:1:	N[5,5]-3:C[5]-3:C[5]-3:P-4:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,5]-4:O-2:O-2:O-1:	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]O)(C[5]C[5]Cl)(PO3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]P)(O)	P(C[5,5]N[5,5]C[5]2)(OC)2(O)	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]O)(C[5]C[5]Cl)(PO3){1|Cl<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]P)(O){1|Cl<1>,1|H<1>,4|C<3>}	P(C[5,5]N[5,5]C[5]2)(OC)2(O)	109.4795	0.349	2	109.4795	0.122	2	109.4795	0.122	2	109.4795	0.122	2	111.2562	5.102	5	110.3260	10.570	25
474	818	992	0:SP3_SP2_SP3	C[5,5]	C[5]	P	3:3:3:4:	4:3:1:	4:2:2:1:	C[5,6a]-3:N[5,5]-3:C[5]-3:P-4:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,5]-4:O-2:O-2:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]O)(PO3)	C[5](C[5,5]C[5,6a]N[5,5]P)(C[5,6a]C[5,6a]C[6a])(O)	P(C[5,5]C[5,6a]N[5,5]C[5])(OC)2(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]O)(PO3){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,5]C[5,6a]N[5,5]P)(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,5|C<3>}	P(C[5,5]C[5,6a]N[5,5]C[5])(OC)2(O)	109.8960	0.000	1	109.8960	0.000	1	109.8960	0.000	1	112.4407	4.881	3	111.2562	5.102	5	110.3260	10.570	25
474	818	992	0:SP3_SP2_SP3	C[5,5]	C[5]	P	3:3:3:4:	4:3:1:	4:2:2:1:	N[5,5]-3:C[5]-3:C[5]-3:P-4:	C[5,5]-4:C[5]-3:Cl-1:	C[5,5]-4:O-2:O-2:O-1:	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]O)(C[5]C[5]Cl)(PO3)	C[5](C[5,5]N[5,5]C[5]P)(C[5]C[5]Cl)(Cl)	P(C[5,5]N[5,5]C[5]2)(OC)2(O)	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]O)(C[5]C[5]Cl)(PO3){1|Cl<1>,1|O<1>,2|C<3>}	C[5](C[5,5]N[5,5]C[5]P)(C[5]C[5]Cl)(Cl){2|C<3>,2|O<1>}	P(C[5,5]N[5,5]C[5]2)(OC)2(O)	113.7130	0.222	2	113.7130	0.049	2	113.7130	0.049	2	112.4407	4.881	3	111.2562	5.102	5	110.3260	10.570	25
474	818	992	0:SP3_SP2_SP3	C[5,6]	C[5,6]	P	4:3:4:1:	4:4:1:	4:4:4:4:	C[3,5,6]-4:C[5,6]-3:P-4:H-1:	C[3,5,6]-4:C[5,6]-4:O-1:	C[5,6]-4:C-4:C-4:C-4:	C[5,6](C[3,5,6]C[3,3,6]I[8x3,5]H)(C[5,6]C[3,5,6]O)(PC3)(H)	C[5,6](C[3,5,6]C[3,3,6]I[8x3,5]H)(C[5,6]C[3,5,6]HP)(O)	P(C[5,6]C[3,5,6]C[5,6]H)(CH3)3	C[5,6](C[3,5,6]C[3,3,6]I[8x3,5]H)(C[5,6]C[3,5,6]O)(PC3)(H){1|H<1>,6|C<4>}	C[5,6](C[3,5,6]C[3,3,6]I[8x3,5]H)(C[5,6]C[3,5,6]HP)(O){1|C<3>,2|H<1>,5|C<4>}	P(C[5,6]C[3,5,6]C[5,6]H)(CH3)3	110.3010	0.000	1	110.3010	0.000	1	110.3010	0.000	1	110.3010	0.000	1	110.3010	0.000	1	110.3260	10.570	25
474	818	992	0:SP3_SP2_SP3	C[5]	C[5,6]	P	3:3:4:1:	3:4:4:	4:2:2:1:	C[5,6a]-3:C[5,6]-3:P-4:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[5]-4:O-2:O-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(PO3)(H)	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HP)(C[6]C[6,6a]HH)	P(C[5]C[5,6a]C[5,6]H)(OC[6a])2(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(PO3)(H){1|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HP)(C[6]C[6,6a]HH){6|C<3>}	P(C[5]C[5,6a]C[5,6]H)(OC[6a])2(O)	117.3320	0.000	1	117.3320	0.000	1	117.3320	0.000	1	117.3320	0.000	1	117.3320	0.000	1	110.3260	10.570	25
474	818	992	0:SP3_SP2_SP3	C[5]	C[5]	P	2:3:4:4:	4:2:1:	4:1:1:1:	O[5]-2:C[5]-3:C-4:P-4:	C[5]-4:O[5]-2:O-1:	C[5]-4:O-1:O-1:O-1:	C[5](O[5]B[5,5])(C[5]O[5]O)(CC[5]HH)(PO3)	C[5](C[5]O[5]CP)(O[5]B[5,5])(O)	P(C[5]C[5]O[5]C)(O)3	C[5](O[5]B[5,5])(C[5]O[5]O)(CC[5]HH)(PO3){2|O<2>}	C[5](C[5]O[5]CP)(O[5]B[5,5])(O){2|O<2>}	P(C[5]C[5]O[5]C)(O)3	111.4940	0.000	1	111.4940	0.000	1	111.4940	0.000	1	111.4940	0.000	1	109.6798	10.138	18	110.3260	10.570	25
474	818	992	0:SP3_SP2_SP3	C[5]	C[5]	P	3:3:4:1:	3:3:4:	4:4:4:4:	C[5]-3:C[5]-3:P-4:H-1:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-4:C-4:C-4:C-4:	C[5](C[5]C[6a]C[5])2(PC3)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HP)	P(C[5]C[5]2H)(CH3)3	C[5](C[5]C[6a]C[5])2(PC3)(H){1|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HP){3|H<1>,5|C<3>}	P(C[5]C[5]2H)(CH3)3	108.7800	0.000	1	108.7800	0.000	1	108.7800	0.000	1	108.7800	0.000	1	109.6798	10.138	18	110.3260	10.570	25
474	818	992	0:SP3_SP2_SP3	C[5]	C[5]	P	3:3:4:1:	3:4:3:	4:4:4:4:	C[5]-3:C[5]-3:P-4:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:C-4:C-4:C-4:	C[5](C[5]C[6a]C[5])2(PC3)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HP)(C[5]C[5]H)	P(C[5]C[5]2H)(CH3)3	C[5](C[5]C[6a]C[5])2(PC3)(H){1|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HP)(C[5]C[5]H){2|H<1>,4|C<3>}	P(C[5]C[5]2H)(CH3)3	108.7700	0.000	1	108.7700	0.000	1	108.7700	0.000	1	108.7700	0.000	1	109.6798	10.138	18	110.3260	10.570	25
474	818	992	0:SP3_SP2_SP3	C[5]	C[5]	P	3:3:4:1:	4:3:1:	4:3:3:4:	C[5,6a]-3:C[5]-3:P-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(PC[6a]2C)(H)	C[5](C[5]C[5,6a]HP)(C[5]C[5,6a]H)(H)	P(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)2(CHHP)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(PC[6a]2C)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HP)(C[5]C[5,6a]H)(H){2|C<3>}	P(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)2(CHHP)	108.2390	0.000	1	108.2390	0.000	1	108.2390	0.000	1	108.2390	0.000	1	109.6798	10.138	18	110.3260	10.570	25
474	818	992	0:SP3_SP2_SP3	C[5]	C[5]	P	3:3:4:1:	4:3:3:	4:3:3:1:	C[5,6a]-3:C[5]-3:P-4:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[6a]-3:C[6a]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(PC[6a]2O)(H)	C[5](C[5]C[5,6a]HP)(C[5]C[5,6a]O)(CCC)	P(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)2(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(PC[6a]2O)(H){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]HP)(C[5]C[5,6a]O)(CCC){2|C<3>}	P(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)2(O)	107.3120	0.000	1	107.3120	0.000	1	107.3120	0.000	1	108.6270	3.458	2	109.6798	10.138	18	110.3260	10.570	25
474	818	992	0:SP3_SP2_SP3	C[5]	C[5]	P	3:3:4:1:	4:3:3:	4:3:3:1:	C[5,6a]-3:C[5]-3:P-4:H-1:	C[5]-4:N[5]-3:C-3:	C[5]-4:C[6a]-3:C[6a]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(PC[6a]2O)(H)	C[5](C[5]C[5,6a]HP)(N[5]C[5,6a]C)(CCH)	P(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)2(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(PC[6a]2O)(H){1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]HP)(N[5]C[5,6a]C)(CCH){2|C<3>}	P(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)2(O)	109.9420	0.000	1	109.9420	0.000	1	109.9420	0.000	1	108.6270	3.458	2	109.6798	10.138	18	110.3260	10.570	25
474	818	992	0:SP3_SP2_SP3	C[5]	C[5]	P	3:3:4:1:	4:3:3:	4:4:4:1:	C[5,6a]-3:C[5]-3:P-4:H-1:	C[5]-4:C[5]-3:N-3:	C[5]-4:C-4:C-4:S-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(PCCS)(H)	C[5](C[5]C[5,6a]HP)(C[5]C[5,6a]H)(NCC)	P(C[5]C[5,6a]C[5]H)(CCCH)2(S)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(PCCS)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HP)(C[5]C[5,6a]H)(NCC){2|C<3>}	P(C[5]C[5,6a]C[5]H)(CCCH)2(S)	115.2270	0.000	2	115.2270	0.000	2	115.2270	0.000	2	115.2270	0.000	2	109.6798	10.138	18	110.3260	10.570	25
474	818	992	0:SP3_SP2_SP3	C[5]	C[5]	P	3:3:4:1:	4:3:3:	4:4:4:2:	C[5,6a]-3:C[5]-3:P-4:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C-4:C-4:S-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(PCCS)(H)	C[5](C[5]C[5,6a]HP)(C[5]C[5,6a]C)(CPdN)	P(C[5]C[5,6a]C[5]H)(CCCH)2(SPd)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(PCCS)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]HP)(C[5]C[5,6a]C)(CPdN){2|C<3>}	P(C[5]C[5,6a]C[5]H)(CCCH)2(SPd)	108.4980	0.000	1	108.4980	0.000	1	108.4980	0.000	1	108.4980	0.000	1	109.6798	10.138	18	110.3260	10.570	25
474	818	992	0:SP3_SP2_SP3	C[5]	C[5]	P	3:3:4:3:	4:2:1:	4:2:2:1:	C[5,6a]-3:C[5]-3:P-4:N-3:	C[5]-4:N[5]-2:O-1:	C[5]-4:O-2:O-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(PO3)(NCH)	C[5](C[5]C[5,6a]NP)(N[5]C[5,6a])(O)	P(C[5]C[5,6a]C[5]N)(OC[6a])2(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(PO3)(NCH){1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]NP)(N[5]C[5,6a])(O){2|C<3>}	P(C[5]C[5,6a]C[5]N)(OC[6a])2(O)	109.7040	0.000	1	109.7040	0.000	1	109.7040	0.000	1	109.7040	0.000	1	109.6798	10.138	18	110.3260	10.570	25
474	818	992	0:SP3_SP2_SP3	C[5]	C[5]	P	3:3:4:4:	4:3:1:	4:3:3:1:	C[5,6a]-3:C[5]-3:P-4:C-4:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:S-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(PC[6a]2S)(CH3)	C[5](C[5]C[5,6a]CP)(C[5]C[5,6a]P)(H)	P(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)2(S)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(PC[6a]2S)(CH3){1|H<1>,1|P<4>,2|C<3>}	C[5](C[5]C[5,6a]CP)(C[5]C[5,6a]P)(H){2|C<3>}	P(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)2(S)	104.4290	0.000	1	104.4290	0.000	1	104.4290	0.000	1	104.4290	0.000	1	109.6798	10.138	18	110.3260	10.570	25
474	818	992	0:SP3_SP2_SP3	C[5]	C[5]	P	3:4:4:1:	3:4:2:	4:2:2:1:	C[5]-3:C[5]-4:P-4:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-4:O-2:O-2:O-1:	C[5](C[5]C[6a]N[5])(C[5]N[5]CH)(PO3)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HP)(N[5]N[5])	P(C[5]C[5]2H)(OC)2(O)	C[5](C[5]C[6a]N[5])(C[5]N[5]CH)(PO3)(H){3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HP)(N[5]N[5]){1|Cl<1>,2|H<1>,4|C<3>}	P(C[5]C[5]2H)(OC)2(O)	112.3210	0.000	1	112.3210	0.000	1	112.3210	0.000	1	112.3210	0.000	1	109.6798	10.138	18	110.3260	10.570	25
474	818	992	0:SP3_SP2_SP3	C[5]	C[5]	P	4:3:4:1:	3:4:1:	3:3:4:1:	C[5]-4:C[5]-3:P-4:H-1:	N[5,5a]-3:C[5]-4:O-1:	C[6a]-3:C[6a]-3:C[5]-4:O-1:	C[5](C[5]C[5,5a]C[6a]H)(C[5]N[5,5a]O)(PC[6a]2O)(H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]HP)(O)	P(C[6a]C[6a]2)2(C[5]C[5]2H)(O)	C[5](C[5]C[5,5a]C[6a]H)(C[5]N[5,5a]O)(PC[6a]2O)(H){4|C<3>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]HP)(O){1|H<1>,4|C<3>}	P(C[6a]C[6a]2)2(C[5]C[5]2H)(O)	108.5190	0.000	1	108.5190	0.000	1	108.5190	0.000	1	108.5190	0.000	1	109.6798	10.138	18	110.3260	10.570	25
474	818	992	0:SP3_SP2_SP3	C[5]	C[5]	P	4:3:4:1:	4:3:1:	4:2:1:1:	C[5]-4:C[5]-3:P-4:H-1:	C[5]-4:N[5]-3:O-1:	C[5]-4:O-2:O-1:O-1:	C[5](C[5]C[5]HH)(C[5]N[5]O)(PO3)(H)	C[5](C[5]C[5]HP)(N[5]C[5]O)(O)	P(C[5]C[5]2H)(OC)(O)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(PO3)(H){2|O<1>}	C[5](C[5]C[5]HP)(N[5]C[5]O)(O){1|O<1>,2|H<1>}	P(C[5]C[5]2H)(OC)(O)2	114.2110	0.000	1	114.2110	0.000	1	114.2110	0.000	1	114.2110	0.000	1	109.6798	10.138	18	110.3260	10.570	25
474	818	992	0:SP3_SP2_SP3	C[5]	C[5]	P	4:3:4:1:	4:4:3:	4:2:2:1:	C[5]-4:C[5]-3:P-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:O-2:O-2:O-1:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(PO3)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HP)(CHH)	P(C[5]C[5]2H)(OC[6a])2(O)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(PO3)(H){1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HP)(CHH){1|C<3>,1|N<3>,2|H<1>}	P(C[5]C[5]2H)(OC[6a])2(O)	111.9810	0.000	1	111.9810	0.000	1	111.9810	0.000	1	111.9810	0.000	1	109.6798	10.138	18	110.3260	10.570	25
474	818	992	0:SP3_SP2_SP3	C[5]	C[5]	P	4:3:4:4:	4:4:1:	4:2:2:1:	C[5]-4:C[5]-3:C-4:P-4:	C[5]-4:C[5]-4:O-1:	C[5]-4:O-2:O-2:O-1:	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]2H)(PO3)	C[5](C[5]C[5]CP)(C[5]C[5]HH)(O)	P(C[5]C[5]2C)(OH)2(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]2H)(PO3){4|H<1>}	C[5](C[5]C[5]CP)(C[5]C[5]HH)(O){4|H<1>}	P(C[5]C[5]2C)(OH)2(O)	105.0120	0.000	1	105.0120	0.000	1	106.5277	2.598	3	106.5277	2.598	3	109.6798	10.138	18	110.3260	10.570	25
474	818	992	0:SP3_SP2_SP3	C[5]	C[5]	P	4:3:4:4:	4:4:1:	4:2:2:1:	C[5]-4:C[5]-3:C-4:P-4:	C[5]-4:C[5]-4:O-1:	C[5]-4:O-2:O-2:O-1:	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]CH)(PO3)	C[5](C[5]C[5]CP)(C[5]C[5]HH)(O)	P(C[5]C[5]2C)(OC)2(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]CH)(PO3){4|H<1>}	C[5](C[5]C[5]CP)(C[5]C[5]HH)(O){4|H<1>}	P(C[5]C[5]2C)(OC)2(O)	106.3500	0.000	1	106.3500	0.000	1	106.5277	2.598	3	106.5277	2.598	3	109.6798	10.138	18	110.3260	10.570	25
474	818	992	0:SP3_SP2_SP3	C[5]	C[5]	P	4:3:4:4:	4:4:1:	4:2:2:1:	C[5]-4:C[5]-3:C-4:P-4:	C[5]-4:C[5]-4:O-1:	C[5]-4:O-2:O-2:O-1:	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HN)(PO3)	C[5](C[5]C[5]CP)(C[5]C[5]HH)(O)	P(C[5]C[5]2C)(OC)2(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HN)(PO3){4|H<1>}	C[5](C[5]C[5]CP)(C[5]C[5]HH)(O){4|H<1>}	P(C[5]C[5]2C)(OC)2(O)	108.2210	0.000	1	108.2210	0.000	1	106.5277	2.598	3	106.5277	2.598	3	109.6798	10.138	18	110.3260	10.570	25
474	818	993	0:SP3_SP-NON_SP2	C[5]	C[5]	Ga[3,3]	4:3:3:4:	4:3:4:	4:3:3:4:	Ga[3,3]-4:C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	Ga[3,3]-4:N[3]-3:N[3]-3:C[5]-4:	C[5](Ga[3,3]Ga[3,3]N[3]2)(C[5]C[5]C)2(CH3)	C[5](C[5]Ga[3,3]C[5]C)(C[5]C[5]C)(CH3)	Ga[3,3](Ga[3,3]C[5]N[3]2)(N[3]Ga[3,3]C[6a])2(C[5]C[5]2C)	C[5](Ga[3,3]Ga[3,3]N[3]2)(C[5]C[5]C)2(CH3){2|C<3>,3|C<4>}	C[5](C[5]Ga[3,3]C[5]C)(C[5]C[5]C)(CH3){1|Ga<4>,2|C<4>,2|N<3>}	Ga[3,3](Ga[3,3]C[5]N[3]2)(N[3]Ga[3,3]C[6a])2(C[5]C[5]2C){3|C<4>,8|C<3>}	95.4980	6.726	2	95.4980	45.239	2	95.4980	45.239	2	95.4980	45.239	2	95.4980	45.239	2	95.4980	45.239	2
474	818	996	0:SP3_SP2_SP3	C[5]	C[5]	Si[4]	4:3:3:4:	4:3:4:	4:3:3:1:	Si[4]-4:C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[4]-3:N[4]-3:S-1:	C[5](Si[4]N[4]2S)(C[5]C[5]C)2(CH3)	C[5](C[5]Si[4]C[5]C)(C[5]C[5]C)(CH3)	Si[4](C[5]C[5]2C)(N[4]C[4]C)2(S)	C[5](Si[4]N[4]2S)(C[5]C[5]C)2(CH3){1|C<3>,4|C<4>}	C[5](C[5]Si[4]C[5]C)(C[5]C[5]C)(CH3){1|S<1>,2|C<4>,2|N<3>}	Si[4](C[5]C[5]2C)(N[4]C[4]C)2(S){2|C<4>,3|C<3>}	108.8815	3.818	2	108.8815	14.575	2	108.8815	14.575	2	108.5790	8.931	4	108.7807	12.209	8	108.7807	12.209	8
474	818	996	0:SP3_SP2_SP3	C[5]	C[5]	Si[4]	4:3:3:4:	4:3:4:	4:3:3:1:	Si[4]-4:C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[4]-3:N[4]-3:Se-1:	C[5](Si[4]N[4]2Se)(C[5]C[5]C)2(CH3)	C[5](C[5]Si[4]C[5]C)(C[5]C[5]C)(CH3)	Si[4](C[5]C[5]2C)(N[4]C[4]C)2(Se)	C[5](Si[4]N[4]2Se)(C[5]C[5]C)2(CH3){1|C<3>,4|C<4>}	C[5](C[5]Si[4]C[5]C)(C[5]C[5]C)(CH3){1|Se<1>,2|C<4>,2|N<3>}	Si[4](C[5]C[5]2C)(N[4]C[4]C)2(Se){2|C<4>,3|C<3>}	108.2765	3.443	2	108.2765	11.854	2	108.2765	11.854	2	108.5790	8.931	4	108.7807	12.209	8	108.7807	12.209	8
474	818	996	0:SP3_SP2_SP3	C[5]	C[5]	Si[4]	4:3:3:4:	4:3:4:	4:3:3:4:	Si[4]-4:C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[4]-3:N[4]-3:B-4:	C[5](Si[4]N[4]2B)(C[5]C[5]C)2(CH3)	C[5](C[5]Si[4]C[5]C)(C[5]C[5]C)(CH3)	Si[4](C[5]C[5]2C)(N[4]C[4]C)2(BH3)	C[5](Si[4]N[4]2B)(C[5]C[5]C)2(CH3){1|C<3>,4|C<4>}	C[5](C[5]Si[4]C[5]C)(C[5]C[5]C)(CH3){1|B<4>,2|C<4>,2|N<3>}	Si[4](C[5]C[5]2C)(N[4]C[4]C)2(BH3){2|C<4>,3|C<3>}	108.9825	4.410	4	108.9825	19.447	4	108.9825	19.447	4	108.9825	19.447	4	108.7807	12.209	8	108.7807	12.209	8
474	818	997	5:SP3_SP2_SP3	C[5,3x6]	C[5,6,6]	Se[5]	3:3:3:2:	4:3:3:	4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:Se[5]-2:	C[5,3x6]-4:C[6,6]-3:C[5]-3:	C[5,3x6]-4:C[5]-3:	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5])(Se[5]C[5])	C[5,6,6](C[5,3x6]C[6,6,6a]2Se[5])(C[6,6]C[3x6]H)(C[5]C[5]C)	Se[5](C[5,3x6]C[6,6,6a]2C[5,6,6])(C[5]C[5]C)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5])(Se[5]C[5]){1|C<4>,3|H<1>,6|C<3>}	C[5,6,6](C[5,3x6]C[6,6,6a]2Se[5])(C[6,6]C[3x6]H)(C[5]C[5]C){1|H<1>,5|C<3>}	Se[5](C[5,3x6]C[6,6,6a]2C[5,6,6])(C[5]C[5]C){6|C<3>}	106.3690	0.000	1	106.3690	0.000	1	106.3690	0.000	1	106.3690	0.000	1	106.3690	0.000	1	105.4545	1.673	2
474	818	997	5:SP3_SP2_SP3	C[5]	C[5]	Se[5]	3:3:2:1:	4:3:1:	4:3:	N[6a]-3:C[5]-3:Se[5]-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:	C[5](N[6a]C[6a]2)(C[5]C[5]H)(Se[5]C[5])(H)	C[5](C[5]N[6a]Se[5]H)(C[5]C[5]H)(H)	Se[5](C[5]N[6a]C[5]H)(C[5]C[5]C)	C[5](N[6a]C[6a]2)(C[5]C[5]H)(Se[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5]N[6a]Se[5]H)(C[5]C[5]H)(H){1|C<4>,2|C<3>}	Se[5](C[5]N[6a]C[5]H)(C[5]C[5]C){2|C<3>,2|H<1>}	104.5400	0.000	1	104.5400	0.000	1	104.5400	0.000	1	104.5400	0.000	1	104.5400	0.000	1	105.4545	1.673	2
474	818	999	0:SP3_SP2_SP3	C[5,5]	C[5,6]	N[5]	3:4:4:1:	4:3:3:	4:4:4:1:	C[5,6]-3:C[5,5]-4:N[5]-4:H-1:	C[5,5]-4:C[5,6]-3:C[6]-3:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,5](C[5,6]C[5,6]C[6])(C[5,5]C[5]2H)(N[5]C[5]CH)(H)	C[5,6](C[5,5]C[5,5]N[5]H)(C[5,6]C[5]N[6])(C[6]C[6]H)	N[5](C[5,5]C[5,5]C[5,6]H)(C[5]C[5]HH)(CH3)(H)	C[5,5](C[5,6]C[5,6]C[6])(C[5,5]C[5]2H)(N[5]C[5]CH)(H){1|C<3>,1|N<3>,7|H<1>}	C[5,6](C[5,5]C[5,5]N[5]H)(C[5,6]C[5]N[6])(C[6]C[6]H){1|C<3>,3|C<4>,6|H<1>}	N[5](C[5,5]C[5,5]C[5,6]H)(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	111.1100	0.000	1	111.1100	0.000	1	111.1100	0.000	1	111.1100	0.000	1	111.1100	0.000	1	112.5145	7.732	11
474	818	999	0:SP3_SP2_SP3	C[5,5]	C[5]	N[5,5]	3:4:4:3:	4:3:1:	4:4:4:1:	C[5,6a]-3:N[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]H)(O)	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(C[5]N[5]O){2|C<4>,3|C<3>,6|H<1>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]H)(O){2|H<1>,3|C<3>,3|C<4>}	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)(H){1|N<3>,1|O<1>,4|C<3>,6|H<1>}	107.6110	0.296	2	107.6110	0.087	2	107.6110	0.087	2	107.6110	0.087	2	107.6110	0.087	2	112.5145	7.732	11
474	818	999	0:SP3_SP2_SP3	C[5,5]	C[5]	N[5]	4:3:4:3:	4:3:1:	4:4:4:1:	C[3,5]-4:C[5,6a]-3:N[5]-4:C[5]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,5](C[3,5]C[3,5]C[6a]C[3])(C[5,6a]C[5,6a]C[6a])(N[5]C[5]CH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[3,5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,5]C[5,6a]C[3,5]C[5])(C[5]C[3,5]HH)(CH3)(H)	C[5,5](C[3,5]C[3,5]C[6a]C[3])(C[5,6a]C[5,6a]C[6a])(N[5]C[5]CH)(C[5]N[5]O){1|C<4>,4|H<1>,6|C<3>}	C[5](C[5,5]C[5,6a]C[3,5]N[5])(N[5]C[5,6a]C)(O){1|H<1>,3|C<3>,4|C<4>}	N[5](C[5,5]C[5,6a]C[3,5]C[5])(C[5]C[3,5]HH)(CH3)(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>}	115.4040	0.000	1	115.4040	0.000	1	115.4040	0.000	1	115.4040	0.000	1	115.4040	0.000	1	112.5145	7.732	11
474	818	999	0:SP3_SP2_SP3	C[5]	C[5]	N[5]	3:4:3:1:	4:3:3:	3:4:4:4:	C[5,6a]-3:N[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]CC)(C[5]C[5]2)(H)	C[5](C[5]C[5,6a]N[5]H)(C[5]C[5]O)2	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5]H)(CH3)2	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]CC)(C[5]C[5]2)(H){1|H<1>,2|C<4>,2|O<1>,3|C<3>}	C[5](C[5]C[5,6a]N[5]H)(C[5]C[5]O)2{2|C<4>,3|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5]H)(CH3)2{1|H<1>,5|C<3>}	114.6570	0.129	2	114.6570	0.017	2	114.6570	0.017	2	114.6570	0.017	2	113.7033	1.488	7	112.5145	7.732	11
474	818	999	0:SP3_SP2_SP3	C[5]	C[5]	N[5]	4:4:3:1:	4:3:1:	4:4:4:1:	C[5]-4:N[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5](C[5]C[5]CH)(N[5]C[5]2H)(C[5]C[5]H)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]H)(H)	N[5](C[5]C[5]2H)(C[5]C[5]HH)2(H)	C[5](C[5]C[5]CH)(N[5]C[5]2H)(C[5]C[5]H)(H){1|O<1>,2|C<4>,5|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]H)(H){1|O<1>,2|H<1>,3|C<4>}	N[5](C[5]C[5]2H)(C[5]C[5]HH)2(H){1|C<4>,2|C<3>,6|H<1>}	113.5310	0.000	1	113.5310	0.000	1	112.7750	1.143	2	112.7750	1.143	2	113.7033	1.488	7	112.5145	7.732	11
474	818	999	0:SP3_SP2_SP3	C[5]	C[5]	N[5]	4:4:3:1:	4:3:1:	4:4:4:1:	C[5]-4:N[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5](C[5]C[5]C[6]H)(N[5]C[5]2H)(C[5]C[5]H)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]H)(H)	N[5](C[5]C[5]2H)(C[5]C[5]HH)2(H)	C[5](C[5]C[5]C[6]H)(N[5]C[5]2H)(C[5]C[5]H)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]H)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5]C[5]2H)(C[5]C[5]HH)2(H){3|C<3>,6|H<1>}	112.0190	0.000	1	112.0190	0.000	1	112.7750	1.143	2	112.7750	1.143	2	113.7033	1.488	7	112.5145	7.732	11
474	818	999	0:SP3_SP2_SP3	C[5]	C[5]	N[5]	4:4:3:1:	4:3:3:	4:4:1:1:	C[5]-4:N[5]-4:C[5]-3:H-1:	C[5]-4:N[5]-3:N[5]-3:	C[5]-4:C[5]-4:H-1:H-1:	C[5](C[5]C[5]HH)(N[5]C[5]HH)(C[5]N[5]2)(H)	C[5](C[5]C[5]N[5]H)(N[5]C[5,6a]H)2	N[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(C[5]N[5]2)(H){2|C<3>,6|H<1>}	C[5](C[5]C[5]N[5]H)(N[5]C[5,6a]H)2{2|C<3>,2|C<4>,4|H<1>}	N[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2{2|N<3>,4|H<1>}	112.8470	0.020	2	112.8470	0.000	2	112.8470	0.000	2	112.8470	0.000	2	113.7033	1.488	7	112.5145	7.732	11
474	818	999	0:SP3_SP2_SP3	C[5]	C[5]	N[5]	4:4:3:1:	4:3:4:	4:4:4:1:	C[5]-4:N[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5](C[5]C[5]CC)(N[5]C[5]2H)(C[5]C[5]C)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]H)(CC[6a]HH)	N[5](C[5]C[5]2H)(C[5]C[5]HH)2(H)	C[5](C[5]C[5]CC)(N[5]C[5]2H)(C[5]C[5]C)(H){2|C<4>,7|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]H)(CC[6a]HH){2|C<3>,2|C<4>,3|H<1>}	N[5](C[5]C[5]2H)(C[5]C[5]HH)2(H){2|C<4>,3|C<3>,4|H<1>}	115.3650	0.000	1	115.3650	0.000	1	115.3650	0.000	1	115.3650	0.000	1	113.7033	1.488	7	112.5145	7.732	11
474	818	999	5:SP3_SP2_SP3	C[5,3x6]	C[5,6]	N[5,6]	4:4:3:4:	4:4:3:	4:4:4:1:	C[3x6]-4:N[5,6]-4:C[5,6]-3:C[6]-4:	C[5,3x6]-4:C[5]-4:C[6]-3:	C[5,3x6]-4:C[5]-4:C[6]-4:H-1:	C[5,3x6](C[3x6]C[6,6]C[6]H)(N[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)	C[5,6](C[5,3x6]C[3x6]N[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]O)	N[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,3x6](C[3x6]C[6,6]C[6]H)(N[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(C[6]C[6]HH){10|H<1>,1|C<3>,1|O<2>,3|C<4>}	C[5,6](C[5,3x6]C[3x6]N[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]O){1|O<1>,4|C<4>,6|H<1>}	N[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,7|H<1>}	100.9040	0.000	1	100.9040	0.000	1	100.9040	0.000	1	100.9040	0.000	1	100.9040	0.000	1	105.9984	8.236	177
474	818	999	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	N[5,5]	3:4:3:1:	4:3:1:	4:4:1:1:	C[5,6,6a]-3:N[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6]C[5,5,6]H)(H)	N[5,5](C[5,5,6]C[5,6,6a]C[5,6]C)(C[5,5,6]C[5,6,6a]C[5,6]H)(H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){2|H<1>,3|C<3>}	C[5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6]C[5,5,6]H)(H){2|H<1>,3|C<3>}	N[5,5](C[5,5,6]C[5,6,6a]C[5,6]C)(C[5,5,6]C[5,6,6a]C[5,6]H)(H)2{2|C<3>,2|H<1>}	98.2048	0.000	1	98.2048	0.000	1	98.2048	0.000	1	98.2048	0.000	1	98.0864	0.028	2	105.9984	8.236	177
474	818	999	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	N[5,5]	3:4:3:3:	4:3:1:	4:4:1:1:	C[5,6,6a]-3:N[5,5]-4:C[5,6]-3:C-3:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(CN[5]O)	C[5,6](C[5,5,6]C[5,6,6a]N[5,5]C)(C[5,6]C[5,5,6]H)(H)	N[5,5](C[5,5,6]C[5,6,6a]C[5,6]C)(C[5,5,6]C[5,6,6a]C[5,6]H)(H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(CN[5]O){2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6,6a]N[5,5]C)(C[5,6]C[5,5,6]H)(H){2|C<3>,3|H<1>}	N[5,5](C[5,5,6]C[5,6,6a]C[5,6]C)(C[5,5,6]C[5,6,6a]C[5,6]H)(H)2{2|C<3>,2|H<1>}	97.9679	0.000	1	97.9679	0.000	1	97.9679	0.000	1	97.9679	0.000	1	98.0864	0.028	2	105.9984	8.236	177
474	818	999	5:SP3_SP2_SP3	C[5,5]	C[5]	N[3x5]	4:4:3:1:	4:2:1:	4:4:4:1:	N[3x5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:O[5]-2:O-1:	B[5,5]-4:C[5,5]-4:C[5,5]-4:H-1:	C[5,5](N[3x5]B[5,5]C[5,5]H)(C[5]S[5]HH)(C[5]O[5]O)(H)	C[5](C[5,5]N[3x5]C[5]H)(O[5]B[5,5])(O)	N[3x5](B[5,5]C[5,6a]O[5]O)(C[5,5]C[5,6a]S[5]H)(C[5,5]C[5]2H)(H)	C[5,5](N[3x5]B[5,5]C[5,5]H)(C[5]S[5]HH)(C[5]O[5]O)(H){1|H<1>,1|O<2>,2|C<3>}	C[5](C[5,5]N[3x5]C[5]H)(O[5]B[5,5])(O){1|C<3>,1|C<4>,1|O<2>,1|S<2>,3|H<1>}	N[3x5](B[5,5]C[5,6a]O[5]O)(C[5,5]C[5,6a]S[5]H)(C[5,5]C[5]2H)(H){1|O<1>,2|C<3>,2|H<1>}	103.9430	0.099	2	103.9430	0.010	2	103.9430	0.010	2	103.9430	0.010	2	103.9430	0.010	2	105.9984	8.236	177
474	818	999	5:SP3_SP2_SP3	C[5,6,6]	C[5,6]	N[5,6,6]	4:4:3:4:	4:3:3:	4:3:4:1:	N[5,6,6]-4:C[6,6]-4:C[5,6]-3:C-4:	C[5,6,6]-4:N[5,6]-3:C[6]-3:	C[5,6,6]-4:Ge[5,6]-3:C[6]-4:H-1:	C[5,6,6](N[5,6,6]Ge[5,6]C[6]H)(C[6,6]C[6,6]N[6]C)(C[5,6]N[5,6]C[6])(CH3)	C[5,6](C[5,6,6]N[5,6,6]C[6,6]C)(N[5,6]Ge[5,6]C[6])(C[6]C[6]H)	N[5,6,6](C[5,6,6]C[5,6]C[6,6]C)(Ge[5,6]N[5,6]N[6,6])(C[6]C[6]HH)(H)	C[5,6,6](N[5,6,6]Ge[5,6]C[6]H)(C[6,6]C[6,6]N[6]C)(C[5,6]N[5,6]C[6])(CH3){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[5,6](C[5,6,6]N[5,6,6]C[6,6]C)(N[5,6]Ge[5,6]C[6])(C[6]C[6]H){2|C<3>,2|C<4>,2|N<3>,3|H<1>}	N[5,6,6](C[5,6,6]C[5,6]C[6,6]C)(Ge[5,6]N[5,6]N[6,6])(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	105.1800	0.000	1	105.1800	0.000	1	105.1800	0.000	1	105.1800	0.000	1	105.1800	0.000	1	105.9984	8.236	177
474	818	999	5:SP3_SP2_SP3	C[5,6,6]	C[5,6]	N[5,6]	4:4:3:1:	4:4:3:	4:4:4:1:	C[6,6]-4:N[5,6]-4:C[5,6]-3:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:	C[5,6,6]-4:C[6]-4:C[5]-4:O-1:	C[5,6,6](C[6,6]C[6,6a]C[6]H)(N[5,6]C[5]C[6]O)(C[5,6]C[5]C[6])(H)	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]H)	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(O)	C[5,6,6](C[6,6]C[6,6a]C[6]H)(N[5,6]C[5]C[6]O)(C[5,6]C[5]C[6])(H){1|C<4>,1|O<2>,2|C<3>,8|H<1>}	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(O){1|C<4>,3|C<3>,3|H<1>}	103.4510	0.000	1	103.4510	0.000	1	103.4510	0.000	1	103.4510	0.000	1	103.4510	0.000	1	105.9984	8.236	177
474	818	999	5:SP3_SP2_SP3	C[5,6]	C[5,6]	N[5]	3:4:4:1:	4:4:3:	4:4:4:1:	C[5,6]-3:C[6]-4:N[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]CH)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CC[6a]CH)(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]CH)(H){1|C<4>,7|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]H){2|C<4>,7|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CC[6a]CH)(H){1|C<3>,1|C<4>,4|H<1>}	102.0750	0.000	1	102.0750	0.000	1	102.0750	0.000	1	102.0750	0.000	1	102.7480	0.906	2	105.9984	8.236	177
474	818	999	5:SP3_SP2_SP3	C[5,6]	C[5,6]	N[5]	4:3:4:1:	4:4:2:	4:4:4:1:	C[6,6]-4:C[5,6]-3:N[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-2:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[6,6]C[6,6a]C[6,6]H)(C[5,6]C[5]C[6])(N[5]C[5]CH)(H)	C[5,6](C[5,6]C[6,6]N[5]H)(C[5]C[5]HH)(C[6]C[6])	N[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CH3)(H)	C[5,6](C[6,6]C[6,6a]C[6,6]H)(C[5,6]C[5]C[6])(N[5]C[5]CH)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6]N[5]H)(C[5]C[5]HH)(C[6]C[6]){1|C<3>,2|C<4>,6|H<1>}	N[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CH3)(H){1|C<2>,1|C<3>,1|C<4>,3|H<1>}	103.4210	0.000	1	103.4210	0.000	1	103.4210	0.000	1	103.4210	0.000	1	102.7480	0.906	2	105.9984	8.236	177
474	818	999	5:SP3_SP2_SP3	C[5]	C[5,6]	N[3x5]	4:3:1:1:	3:4:3:	6:4:4:4:	N[3x5]-4:C[5,6]-3:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-3:	Ga[3x5,6,6]-6:C[5]-4:C[5]-4:C[5]-4:	C[5](N[3x5]Ga[3x5,6,6]C[5]2)(C[5,6]N[5,6]C[6])(H)2	C[5,6](N[5,6]Ga[3x5,6,6]C[6])(C[5]N[3x5]HH)(C[6]C[6]H)	N[3x5](Ga[3x5,6,6]N[5,6]3O[6]2)(C[5]C[5,6]HH)(C[5]C[5]HH)2	C[5](N[3x5]Ga[3x5,6,6]C[5]2)(C[5,6]N[5,6]C[6])(H)2{2|C<3>,2|C<4>,2|N<4>,2|O<2>,5|H<1>}	C[5,6](N[5,6]Ga[3x5,6,6]C[6])(C[5]N[3x5]HH)(C[6]C[6]H){1|C<3>,2|C<4>,2|H<1>,2|N<4>,2|O<2>}	N[3x5](Ga[3x5,6,6]N[5,6]3O[6]2)(C[5]C[5,6]HH)(C[5]C[5]HH)2{2|C<4>,4|C<3>,6|H<1>}	112.1325	0.019	2	112.1325	0.000	2	112.1325	0.000	2	111.6385	3.513	4	111.6385	3.513	4	105.9984	8.236	177
474	818	999	5:SP3_SP2_SP3	C[5]	C[5,6]	N[3x5]	4:3:1:1:	3:4:3:	6:4:4:4:	N[3x5]-4:C[5,6]-3:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-3:	Ga[5x5]-6:C[5,6]-4:C[5]-4:C[5]-4:	C[5](N[3x5]Ga[5x5]C[5,6]C[5])(C[5,6]N[5,6]C[6])(H)2	C[5,6](N[5,6]Ga[5x5]C[6])(C[5]N[3x5]HH)(C[6]C[6]H)	N[3x5](Ga[5x5]N[3x5]N[5,6]2O[5]2)(C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(C[5]C[5]HH)	C[5](N[3x5]Ga[5x5]C[5,6]C[5])(C[5,6]N[5,6]C[6])(H)2{1|N<3>,1|N<4>,2|C<4>,2|O<2>,3|C<3>,4|H<1>}	C[5,6](N[5,6]Ga[5x5]C[6])(C[5]N[3x5]HH)(C[6]C[6]H){1|C<3>,1|N<3>,1|N<4>,2|C<4>,2|H<1>,2|O<2>}	N[3x5](Ga[5x5]N[3x5]N[5,6]2O[5]2)(C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(C[5]C[5]HH){1|O<1>,3|H<1>,4|C<4>,5|C<3>}	108.9580	0.000	1	108.9580	0.000	1	108.9580	0.000	1	111.6385	3.513	4	111.6385	3.513	4	105.9984	8.236	177
474	818	999	5:SP3_SP2_SP3	C[5]	C[5,6]	N[3x5]	4:3:1:1:	3:4:3:	6:4:4:4:	N[3x5]-4:C[5,6]-3:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-3:	In[3x5]-6:C[5]-4:C[5]-4:C[5]-4:	C[5](N[3x5]In[3x5]C[5]2)(C[5,6]N[5,6]C[6])(H)2	C[5,6](N[5,6]In[3x5]C[6])(C[5]N[3x5]HH)(C[6]C[6]H)	N[3x5](In[3x5]N[5,6]N[5]2N[6]Cl)(C[5]C[5,6]HH)(C[5]C[5]HH)2	C[5](N[3x5]In[3x5]C[5]2)(C[5,6]N[5,6]C[6])(H)2{1|Cl<1>,2|C<3>,2|C<4>,3|N<3>,5|H<1>}	C[5,6](N[5,6]In[3x5]C[6])(C[5]N[3x5]HH)(C[6]C[6]H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>,3|N<3>}	N[3x5](In[3x5]N[5,6]N[5]2N[6]Cl)(C[5]C[5,6]HH)(C[5]C[5]HH)2{2|S<4>,4|C<3>,4|H<1>}	113.3310	0.000	1	113.3310	0.000	1	113.3310	0.000	1	111.6385	3.513	4	111.6385	3.513	4	105.9984	8.236	177
474	818	999	5:SP3_SP2_SP3	C[5]	C[5,6]	N[5,5]	4:3:1:1:	3:4:3:	6:4:4:1:	N[5,5]-4:C[5,6]-3:H-1:H-1:	N[5,5,6]-3:C[5]-4:C[6]-3:	Ga[5x5]-6:C[5]-4:C[5]-4:H-1:	C[5](N[5,5]Ga[5x5]C[5]H)(C[5,6]N[5,5,6]C[6])(H)2	C[5,6](N[5,5,6]Ga[5x5]C[5,6])(C[5]N[5,5]HH)(C[6]C[6]H)	N[5,5](Ga[5x5]N[5,5,6]2N[5,5]O[5]2)(C[5]C[5,6]HH)(C[5]C[5]HH)(H)	C[5](N[5,5]Ga[5x5]C[5]H)(C[5,6]N[5,5,6]C[6])(H)2{1|C<4>,2|C<3>,2|N<3>,2|O<2>,3|H<1>}	C[5,6](N[5,5,6]Ga[5x5]C[5,6])(C[5]N[5,5]HH)(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>,2|N<3>,2|O<2>}	N[5,5](Ga[5x5]N[5,5,6]2N[5,5]O[5]2)(C[5]C[5,6]HH)(C[5]C[5]HH)(H){1|C<4>,2|H<1>,6|C<3>}	108.9700	0.000	1	108.9700	0.000	1	108.9700	0.000	1	109.5447	3.605	4	109.5447	3.605	4	105.9984	8.236	177
474	818	999	5:SP3_SP2_SP3	C[5]	C[5,6]	N[5,5]	4:3:1:1:	3:4:3:	6:4:4:1:	N[5,5]-4:C[5,6]-3:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-3:	Ga[3x5]-6:C[5]-4:C[5]-4:H-1:	C[5](N[5,5]Ga[3x5]C[5]H)(C[5,6]N[5,6]C[6])(H)2	C[5,6](N[5,6]Ga[3x5]C[6])(C[5]N[5,5]HH)(C[6]C[6]H)	N[5,5](Ga[3x5]N[5,5]N[5,6]2Cl2)(C[5]C[5,6]HH)(C[5]C[5]HH)(H)	C[5](N[5,5]Ga[3x5]C[5]H)(C[5,6]N[5,6]C[6])(H)2{2|Cl<1>,1|C<4>,1|N<3>,1|N<4>,2|C<3>,3|H<1>}	C[5,6](N[5,6]Ga[3x5]C[6])(C[5]N[5,5]HH)(C[6]C[6]H){2|Cl<1>,1|C<3>,1|C<4>,1|N<3>,1|N<4>,3|H<1>}	N[5,5](Ga[3x5]N[5,5]N[5,6]2Cl2)(C[5]C[5,6]HH)(C[5]C[5]HH)(H){1|C<4>,3|H<1>,4|C<3>}	108.4215	0.040	2	108.4215	0.002	2	108.4215	0.002	2	109.5447	3.605	4	109.5447	3.605	4	105.9984	8.236	177
474	818	999	5:SP3_SP2_SP3	C[5]	C[5,6]	N[5,5]	4:3:1:1:	3:4:3:	6:4:4:1:	N[5,5]-4:C[5,6]-3:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-3:	In[5,5]-6:C[5]-4:C[5]-4:H-1:	C[5](N[5,5]In[5,5]C[5]H)(C[5,6]N[5,6]C[6])(H)2	C[5,6](N[5,6]In[5,5]C[6])(C[5]N[5,5]HH)(C[6]C[6]H)	N[5,5](In[5,5]N[5,6]2Br3)(C[5]C[5,6]HH)2(H)	C[5](N[5,5]In[5,5]C[5]H)(C[5,6]N[5,6]C[6])(H)2{3|Br<1>,1|N<3>,3|C<3>,3|H<1>}	C[5,6](N[5,6]In[5,5]C[6])(C[5]N[5,5]HH)(C[6]C[6]H){3|Br<1>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	N[5,5](In[5,5]N[5,6]2Br3)(C[5]C[5,6]HH)2(H){4|C<3>}	112.3660	0.000	1	112.3660	0.000	1	112.3660	0.000	1	109.5447	3.605	4	109.5447	3.605	4	105.9984	8.236	177
474	818	999	5:SP3_SP2_SP3	C[5]	C[5]	N[3x5]	4:3:1:1:	4:2:1:	6:4:4:4:	N[3x5]-4:C[5]-3:H-1:H-1:	C[5]-4:O[5]-2:O-1:	Ga[5x5]-6:C[5,6]-4:C[5]-4:C[5]-4:	C[5](N[3x5]Ga[5x5]C[5,6]C[5])(C[5]O[5]O)(H)2	C[5](C[5]N[3x5]HH)(O[5]Ga[5x5])(O)	N[3x5](Ga[5x5]N[3x5]N[5,6]2O[5]2)(C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(C[5]C[5]HH)	C[5](N[3x5]Ga[5x5]C[5,6]C[5])(C[5]O[5]O)(H)2{1|C<3>,1|N<4>,1|O<2>,2|C<4>,2|N<3>,3|H<1>}	C[5](C[5]N[3x5]HH)(O[5]Ga[5x5])(O){1|N<4>,1|O<2>,2|C<4>,2|N<3>}	N[3x5](Ga[5x5]N[3x5]N[5,6]2O[5]2)(C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(C[5]C[5]HH){1|O<1>,3|H<1>,4|C<4>,5|C<3>}	113.9190	0.000	1	113.9190	0.000	1	113.9190	0.000	1	113.9190	0.000	1	113.9190	0.000	1	105.9984	8.236	177
474	818	999	5:SP3_SP2_SP3	C[5]	C[5]	N[5,5]	4:3:1:1:	4:2:1:	4:4:4:4:	N[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:O[5]-2:O-1:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(O)	N[5,5](B[5,5]C[3]O[5]2)(C[5]C[5]HH)2(CH3)	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(O){1|O<2>,3|C<4>}	N[5,5](B[5,5]C[3]O[5]2)(C[5]C[5]HH)2(CH3){1|H<1>,2|C<4>,2|O<1>}	106.2493	0.641	8	106.2493	0.411	8	105.8385	1.133	108	105.8622	1.127	116	106.3042	3.851	126	105.9984	8.236	177
474	818	999	5:SP3_SP2_SP3	C[5]	C[5]	N[5,5]	4:3:1:1:	4:2:1:	4:4:4:4:	N[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:O[5]-2:O-1:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(O)	N[5,5](B[5,5]C[5]O[5]2)(C[5]C[5]HH)2(CH3)	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(O){1|O<2>,3|C<4>}	N[5,5](B[5,5]C[5]O[5]2)(C[5]C[5]HH)2(CH3){1|C<4>,1|H<1>,1|O<2>,2|O<1>}	104.9275	0.781	6	104.9275	0.611	6	105.8385	1.133	108	105.8622	1.127	116	106.3042	3.851	126	105.9984	8.236	177
474	818	999	5:SP3_SP2_SP3	C[5]	C[5]	N[5,5]	4:3:1:1:	4:2:1:	4:4:4:4:	N[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:O[5]-2:O-1:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(O)	N[5,5](B[5,5]C[5a]O[5]2)(C[5]C[5]HH)2(CH3)	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2{1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(O){1|C<3>,1|O<2>,2|C<4>}	N[5,5](B[5,5]C[5a]O[5]2)(C[5]C[5]HH)2(CH3){1|C<3>,1|N<2>,2|O<1>}	105.7700	0.788	6	105.7800	0.669	18	105.8385	1.133	108	105.8622	1.127	116	106.3042	3.851	126	105.9984	8.236	177
474	818	999	5:SP3_SP2_SP3	C[5]	C[5]	N[5,5]	4:3:1:1:	4:2:1:	4:4:4:4:	N[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:O[5]-2:O-1:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(O)	N[5,5](B[5,5]C[5a]O[5]2)(C[5]C[5]HH)2(CH3)	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2{1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(O){1|C<3>,1|O<2>,2|C<4>}	N[5,5](B[5,5]C[5a]O[5]2)(C[5]C[5]HH)2(CH3){1|C<3>,1|S<2>,2|O<1>}	105.5158	0.658	10	105.7800	0.669	18	105.8385	1.133	108	105.8622	1.127	116	106.3042	3.851	126	105.9984	8.236	177
474	818	999	5:SP3_SP2_SP3	C[5]	C[5]	N[5,5]	4:3:1:1:	4:2:1:	4:4:4:4:	N[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:O[5]-2:O-1:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(O)	N[5,5](B[5,5]C[5a]O[5]2)(C[5]C[5]HH)2(CH3)	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2{1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(O){1|C<3>,1|O<2>,2|C<4>}	N[5,5](B[5,5]C[5a]O[5]2)(C[5]C[5]HH)2(CH3){2|C<3>,2|O<1>}	107.1310	0.126	2	105.7800	0.669	18	105.8385	1.133	108	105.8622	1.127	116	106.3042	3.851	126	105.9984	8.236	177
474	818	999	5:SP3_SP2_SP3	C[5]	C[5]	N[5,5]	4:3:1:1:	4:2:1:	4:4:4:4:	N[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:O[5]-2:O-1:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(O)	N[5,5](B[5,5]C[6]O[5]2)(C[5]C[5]HH)2(CH3)	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(O){1|O<2>,3|C<4>}	N[5,5](B[5,5]C[6]O[5]2)(C[5]C[5]HH)2(CH3){1|C<4>,1|H<1>,1|O<2>,2|O<1>}	105.5915	0.978	2	105.5915	0.956	2	105.8385	1.133	108	105.8622	1.127	116	106.3042	3.851	126	105.9984	8.236	177
474	818	999	5:SP3_SP2_SP3	C[5]	C[5]	N[5,5]	4:3:1:1:	4:2:1:	4:4:4:4:	N[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:O[5]-2:O-1:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(O)	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(CCHH)	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2{1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(O){1|C<3>,1|O<2>,2|C<4>}	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(CCHH){2|C<3>,2|O<1>}	105.6785	0.520	2	105.6785	0.270	2	105.8385	1.133	108	105.8622	1.127	116	106.3042	3.851	126	105.9984	8.236	177
474	818	999	5:SP3_SP2_SP3	C[5]	C[5]	N[5,5]	4:3:1:1:	4:2:1:	4:4:4:4:	N[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:O[5]-2:O-1:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(O)	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(CH3)	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2{1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(O){1|C<3>,1|O<2>,2|C<4>}	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(CH3){1|C<3>,1|N<2>,2|O<1>}	105.4175	0.657	4	105.7869	1.016	20	105.8385	1.133	108	105.8622	1.127	116	106.3042	3.851	126	105.9984	8.236	177
474	818	999	5:SP3_SP2_SP3	C[5]	C[5]	N[5,5]	4:3:1:1:	4:2:1:	4:4:4:4:	N[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:O[5]-2:O-1:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(O)	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(CH3)	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2{1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(O){1|C<3>,1|O<2>,2|C<4>}	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(CH3){2|C<3>,2|O<1>}	105.8792	1.075	16	105.7869	1.016	20	105.8385	1.133	108	105.8622	1.127	116	106.3042	3.851	126	105.9984	8.236	177
474	818	999	5:SP3_SP2_SP3	C[5]	C[5]	N[5,5]	4:3:1:1:	4:2:1:	4:4:4:4:	N[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:O[5]-2:O-1:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(O)	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3)	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2{1|C<2>,1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(O){1|C<2>,1|O<2>,2|C<4>}	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3){2|O<1>}	105.7498	2.020	10	105.9314	1.599	48	105.8385	1.133	108	105.8622	1.127	116	106.3042	3.851	126	105.9984	8.236	177
474	818	999	5:SP3_SP2_SP3	C[5]	C[5]	N[5,5]	4:3:1:1:	4:2:1:	4:4:4:4:	N[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:O[5]-2:O-1:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(O)	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3)	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(O){1|O<2>,3|C<4>}	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3){2|O<1>}	106.0014	0.844	16	105.9314	1.599	48	105.8385	1.133	108	105.8622	1.127	116	106.3042	3.851	126	105.9984	8.236	177
474	818	999	5:SP3_SP2_SP3	C[5]	C[5]	N[5,5]	4:3:1:1:	4:2:1:	4:4:4:4:	N[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:O[5]-2:O-1:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(O)	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3)	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2{1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(O){1|C<3>,1|O<2>,2|C<4>}	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3){2|O<1>}	105.9631	1.141	22	105.9314	1.599	48	105.8385	1.133	108	105.8622	1.127	116	106.3042	3.851	126	105.9984	8.236	177
474	818	999	5:SP3_SP2_SP3	C[5]	C[5]	N[5,5]	4:3:1:1:	4:2:1:	4:4:4:4:	N[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:O[5]-2:O-1:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(O)	N[5,5](B[5,5]O[5]2O)(C[5]C[5]HH)2(CH3)	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2{1|C<3>,2|H<1>,2|O<2>}	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(O){2|C<4>,2|O<2>}	N[5,5](B[5,5]O[5]2O)(C[5]C[5]HH)2(CH3){2|O<1>}	105.9935	0.612	4	105.9935	0.374	4	105.8385	1.133	108	105.8622	1.127	116	106.3042	3.851	126	105.9984	8.236	177
474	818	999	5:SP3_SP2_SP3	C[5]	C[5]	N[5,5]	4:3:1:1:	4:2:1:	4:4:4:4:	N[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:O[5]-2:O-1:	B[5,5]-4:C[6,6]-4:C[5]-4:C[5]-4:	C[5](N[5,5]B[5,5]C[6,6]C[5])(C[5]O[5]O)(H)2	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(O)	N[5,5](B[5,5]C[3]O[5]2)(C[6,6]C[6,6]2H)(C[5]C[5]HH)2	C[5](N[5,5]B[5,5]C[6,6]C[5])(C[5]O[5]O)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(O){1|O<2>,3|C<4>}	N[5,5](B[5,5]C[3]O[5]2)(C[6,6]C[6,6]2H)(C[5]C[5]HH)2{1|O<2>,2|O<1>,4|C<4>,4|H<1>}	106.1292	1.130	6	106.1292	1.278	6	106.1292	1.278	6	105.8622	1.127	116	106.3042	3.851	126	105.9984	8.236	177
474	818	999	5:SP3_SP2_SP3	C[5]	C[5]	N[5,5]	4:3:1:1:	4:2:1:	4:4:4:4:	N[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[6,6]-4:B[5,5]-4:C[5]-4:C[5]-4:	C[5](N[5,5]B[5,5]C[6,6]C[5])(C[5]O[5]O)(H)2	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(O)	N[5,5](C[6,6]C[6,6]2H)(B[5,5]O[5]2C)(C[5]C[5]HH)2	C[5](N[5,5]B[5,5]C[6,6]C[5])(C[5]O[5]O)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(O){1|C<3>,1|O<2>,2|C<4>}	N[5,5](C[6,6]C[6,6]2H)(B[5,5]O[5]2C)(C[5]C[5]HH)2{2|O<1>,3|C<4>,3|H<1>}	106.3420	1.015	2	106.3420	1.031	2	106.3420	1.031	2	105.8622	1.127	116	106.3042	3.851	126	105.9984	8.236	177
474	818	999	5:SP3_SP2_SP3	C[5]	C[5]	N[5,5]	4:3:1:1:	4:2:1:	5:4:4:1:	N[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:O[5]-2:O-1:	Ga[3x5]-5:C[5]-4:C[5]-4:H-1:	C[5](N[5,5]Ga[3x5]C[5]H)(C[5]O[5]O)(H)2	C[5](C[5]N[5,5]HH)(O[5]Ga[3x5])(O)	N[5,5](Ga[3x5]N[5,5]O[5]2O)(C[5]C[6a]C[5]C)(C[5]C[5]HH)(H)	C[5](N[5,5]Ga[3x5]C[5]H)(C[5]O[5]O)(H)2{1|C<3>,1|N<4>,2|C<4>,2|O<2>}	C[5](C[5]N[5,5]HH)(O[5]Ga[3x5])(O){1|C<4>,1|H<1>,1|N<4>,2|O<2>}	N[5,5](Ga[3x5]N[5,5]O[5]2O)(C[5]C[6a]C[5]C)(C[5]C[5]HH)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	110.8985	0.718	2	110.8985	0.515	2	110.8985	0.515	2	110.8985	0.515	2	106.3042	3.851	126	105.9984	8.236	177
474	818	999	5:SP3_SP2_SP3	C[5]	C[5]	N[5,5]	4:3:1:1:	4:2:1:	5:4:4:4:	N[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:O[5]-2:O-1:	Ga[3x5]-5:C[5]-4:C[5]-4:C-4:	C[5](N[5,5]Ga[3x5]C[5]C)(C[5]O[5]O)(H)2	C[5](C[5]N[5,5]HH)(O[5]Ga[3x5])(O)	N[5,5](Ga[3x5]N[5,5]O[5]2O)(C[5]C[5]HH)2(CCHH)	C[5](N[5,5]Ga[3x5]C[5]C)(C[5]O[5]O)(H)2{1|C<4>,1|N<4>,2|H<1>,2|O<2>}	C[5](C[5]N[5,5]HH)(O[5]Ga[3x5])(O){1|N<4>,2|C<4>,2|O<2>}	N[5,5](Ga[3x5]N[5,5]O[5]2O)(C[5]C[5]HH)2(CCHH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	106.8795	1.039	2	106.8795	1.079	2	106.8795	1.079	2	110.8185	10.323	6	106.3042	3.851	126	105.9984	8.236	177
474	818	999	5:SP3_SP2_SP3	C[5]	C[5]	N[5,5]	4:3:1:1:	4:2:1:	5:4:4:4:	N[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:O[5]-2:O-1:	Ga[4x5]-5:C[5]-4:C[5]-4:C-4:	C[5](N[5,5]Ga[4x5]C[5]C)(C[5]O[5]O)(H)2	C[5](C[5]N[5,5]HH)(O[5]Ga[4x5])(O)	N[5,5](Ga[4x5]N[5,5]2O[5]2)(C[5]C[5]HH)2(CCHH)	C[5](N[5,5]Ga[4x5]C[5]C)(C[5]O[5]O)(H)2{1|C<4>,1|O<2>,2|H<1>,2|N<4>}	C[5](C[5]N[5,5]HH)(O[5]Ga[4x5])(O){1|O<2>,2|C<4>,2|N<4>}	N[5,5](Ga[4x5]N[5,5]2O[5]2)(C[5]C[5]HH)2(CCHH){1|C<3>,1|O<1>,2|H<1>,5|C<4>}	113.4040	0.297	2	113.4040	0.088	2	113.4040	0.088	2	110.8185	10.323	6	106.3042	3.851	126	105.9984	8.236	177
474	818	999	5:SP3_SP2_SP3	C[5]	C[5]	N[5,5]	4:3:1:1:	4:2:1:	5:4:4:4:	N[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:O[5]-2:O-1:	Ga[5,5]-5:C[5]-4:C[5]-4:C-4:	C[5](N[5,5]Ga[5,5]C[5]C)(C[5]O[5]O)(H)2	C[5](C[5]N[5,5]HH)(O[5]Ga[5,5])(O)	N[5,5](Ga[5,5]O[5]2OO)(C[5]C[5]HH)2(CCHH)	C[5](N[5,5]Ga[5,5]C[5]C)(C[5]O[5]O)(H)2{1|C<3>,1|O<3>,2|H<1>,2|O<2>}	C[5](C[5]N[5,5]HH)(O[5]Ga[5,5])(O){1|O<3>,2|C<4>,2|O<2>}	N[5,5](Ga[5,5]O[5]2OO)(C[5]C[5]HH)2(CCHH){2|O<1>}	112.1720	1.543	2	112.1720	2.381	2	112.1720	2.381	2	110.8185	10.323	6	106.3042	3.851	126	105.9984	8.236	177
474	818	999	5:SP3_SP2_SP3	C[5]	C[5]	N[5,5]	4:3:1:1:	4:2:1:	6:4:4:4:	N[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:O[5]-2:O-1:	Ga[4x5]-6:C[5]-4:C[5]-4:C-4:	C[5](N[5,5]Ga[4x5]C[5]C)(C[5]O[5]O)(H)2	C[5](C[5]N[5,5]HH)(O[5]Ga[4x5])(O)	N[5,5](Ga[4x5]N[5,5]O[5]4)(C[5]C[5]HH)2(CCHH)	C[5](N[5,5]Ga[4x5]C[5]C)(C[5]O[5]O)(H)2{1|C<3>,1|N<4>,2|H<1>,3|O<2>}	C[5](C[5]N[5,5]HH)(O[5]Ga[4x5])(O){1|N<4>,2|C<4>,3|O<2>}	N[5,5](Ga[4x5]N[5,5]O[5]4)(C[5]C[5]HH)2(CCHH){2|C<3>,2|O<1>,3|C<4>}	113.8025	0.114	2	113.8025	0.013	2	113.8025	0.013	2	113.8025	0.013	2	106.3042	3.851	126	105.9984	8.236	177
474	818	999	5:SP3_SP2_SP3	C[5]	C[5]	N[5,6,6]	4:3:1:1:	2:4:1:	6:4:4:1:	N[5,6,6]-4:C[5]-3:H-1:H-1:	O[5]-2:C[5]-4:O-1:	Ga[3x5,3x6]-6:C[3x6]-4:C[5]-4:H-1:	C[5](N[5,6,6]Ga[3x5,3x6]C[3x6]H)(C[5]O[5]O)(H)2	C[5](O[5]Ga[3x5,3x6])(C[5]N[5,6,6]HH)(O)	N[5,6,6](Ga[3x5,3x6]N[5,6,6]2O[5]3)(C[3x6]C[6,6]2H)(C[5]C[5]HH)(H)	C[5](N[5,6,6]Ga[3x5,3x6]C[3x6]H)(C[5]O[5]O)(H)2{1|H<1>,2|C<4>,2|N<4>,2|O<2>}	C[5](O[5]Ga[3x5,3x6])(C[5]N[5,6,6]HH)(O){1|C<4>,1|H<1>,2|N<4>,2|O<2>}	N[5,6,6](Ga[3x5,3x6]N[5,6,6]2O[5]3)(C[3x6]C[6,6]2H)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,4|C<4>,6|H<1>}	111.6060	0.000	1	111.6060	0.000	1	111.6060	0.000	1	111.6060	0.000	1	111.6060	0.000	1	105.9984	8.236	177
474	818	999	5:SP3_SP2_SP3	C[5]	C[5]	N[5,6]	4:3:1:1:	4:2:1:	5:4:4:4:	N[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:O[5]-2:O-1:	Ga[5,6]-5:C[6]-4:C[5]-4:C-4:	C[5](N[5,6]Ga[5,6]C[6]C)(C[5]O[5]O)(H)2	C[5](C[5]N[5,6]HH)(O[5]Ga[5,6])(O)	N[5,6](Ga[5,6]O[5]O[6]OO)(C[6]C[6,6a]HH)(C[5]C[5]HH)(CCHH)	C[5](N[5,6]Ga[5,6]C[6]C)(C[5]O[5]O)(H)2{1|C<3>,1|O<3>,2|H<1>,2|O<2>}	C[5](C[5]N[5,6]HH)(O[5]Ga[5,6])(O){1|O<3>,2|C<4>,2|O<2>}	N[5,6](Ga[5,6]O[5]O[6]OO)(C[6]C[6,6a]HH)(C[5]C[5]HH)(CCHH){1|O<1>,2|C<3>}	110.4520	0.000	1	110.4520	0.000	1	110.4520	0.000	1	110.4520	0.000	1	110.4520	0.000	1	105.9984	8.236	177
474	818	999	5:SP3_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:1:	2:4:1:	5:4:4:4:	N[5]-4:C[5]-3:H-1:H-1:	O[5]-2:C[5]-4:O-1:	In[5,5]-5:C[5]-4:C-4:C-4:	C[5](N[5]In[5,5]CC)(C[5]O[5]O)(H)2	C[5](O[5]In[5,5])(C[5]N[5]HH)(O)	N[5](In[5,5]N[5]O[5]2O)(C[5]C[5]HH)(CCHH)2	C[5](N[5]In[5,5]CC)(C[5]O[5]O)(H)2{1|N<4>,2|O<2>}	C[5](O[5]In[5,5])(C[5]N[5]HH)(O){1|N<4>,2|C<4>,2|O<2>}	N[5](In[5,5]N[5]O[5]2O)(C[5]C[5]HH)(CCHH)2{1|C<3>,1|O<1>,3|C<4>}	113.7340	0.611	2	113.7340	0.373	2	113.7340	0.373	2	113.7340	0.373	2	104.1154	11.494	31	105.9984	8.236	177
474	818	999	5:SP3_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:1:	3:4:1:	4:4:1:1:	N[5]-4:C[5]-3:H-1:H-1:	N[5,6a]-3:C[5]-4:O-1:	B[5,6a]-4:C[5]-4:H-1:H-1:	C[5](N[5]B[5,6a]HH)(C[5]N[5,6a]O)(H)2	C[5](N[5,6a]B[5,6a]N[6a])(C[5]N[5]HH)(O)	N[5](B[5,6a]C[6a,6a]N[5,6a]O)(C[5]C[5]HH)(H)2	C[5](N[5]B[5,6a]HH)(C[5]N[5,6a]O)(H)2{1|C<3>,1|N<2>,1|O<2>}	C[5](N[5,6a]B[5,6a]N[6a])(C[5]N[5]HH)(O){1|O<2>,2|C<3>,2|H<1>}	N[5](B[5,6a]C[6a,6a]N[5,6a]O)(C[5]C[5]HH)(H)2{1|N<2>,1|O<1>,2|C<3>}	106.8135	0.467	2	106.8135	0.218	2	106.8135	0.218	2	106.8135	0.218	2	104.1154	11.494	31	105.9984	8.236	177
474	818	999	5:SP3_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:1:	4:3:1:	4:3:3:1:	N[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5](N[5]C[5]CH)(C[5]C[5]H)(H)2	C[5](C[5]N[5]HH)(C[5]C[5]H)(H)	N[5](C[5]C[5]HH)(C[5]C[5]H)(CCH)(H)	C[5](N[5]C[5]CH)(C[5]C[5]H)(H)2{2|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]H)(H){1|C<3>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]H)(CCH)(H){2|H<1>}	106.4500	0.000	1	106.4500	0.000	1	106.4500	0.000	1	106.4500	0.000	1	104.1154	11.494	31	105.9984	8.236	177
474	818	999	5:SP3_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:1:	4:3:1:	4:4:1:1:	N[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5](N[5]C[5]HH)(C[5]C[5]H)(H)2	C[5](C[5]N[5]HH)(C[5]C[5]H)(H)	N[5](C[5]C[5]HH)2(H)2	C[5](N[5]C[5]HH)(C[5]C[5]H)(H)2{3|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]H)(H){4|H<1>}	N[5](C[5]C[5]HH)2(H)2{2|H<1>}	103.8710	0.636	2	103.8710	0.405	2	103.8710	0.405	2	103.8710	0.405	2	104.1154	11.494	31	105.9984	8.236	177
474	818	999	5:SP3_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:1:	4:3:4:	4:4:4:4:	N[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	B[5]-4:C[5]-4:C-4:C-4:	C[5](N[5]B[5]CC)(C[5]C[5]C)(H)2	C[5](C[5]N[5]HH)(C[5]B[5]H)(CC[6a]HH)	N[5](B[5]C[5]HH)(C[5]C[5]HH)(CC[6a]HH)(CH3)	C[5](N[5]B[5]CC)(C[5]C[5]C)(H)2{3|H<1>}	C[5](C[5]N[5]HH)(C[5]B[5]H)(CC[6a]HH){2|C<4>,2|H<1>}	N[5](B[5]C[5]HH)(C[5]C[5]HH)(CC[6a]HH)(CH3){1|C<4>,1|H<1>}	106.0080	0.000	1	106.0080	0.000	1	106.0080	0.000	1	106.0080	0.000	1	104.1154	11.494	31	105.9984	8.236	177
474	818	999	5:SP3_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:1:	4:4:1:	4:4:4:1:	N[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5](N[5]C[5]2H)(C[5]C[5]H)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H)	N[5](C[5]C[5]2H)(C[5]C[5]HH)2(H)	C[5](N[5]C[5]2H)(C[5]C[5]H)(H)2{2|C<4>,5|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(H){1|C<4>,3|H<1>}	N[5](C[5]C[5]2H)(C[5]C[5]HH)2(H){2|C<3>,7|H<1>}	105.9140	0.000	1	105.9140	0.000	1	105.9140	0.000	1	105.9140	0.000	1	104.1154	11.494	31	105.9984	8.236	177
474	818	999	5:SP3_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:1:	4:4:3:	4:4:4:1:	N[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-4:S-4:H-1:	C[5](N[5]C[5]HS)(C[5]C[5]C)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCH)	N[5](C[5]C[5]HH)2(SC[6a]OO)(H)	C[5](N[5]C[5]HS)(C[5]C[5]C)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCH){1|S<4>,3|H<1>}	N[5](C[5]C[5]HH)2(SC[6a]OO)(H){1|H<1>,2|C<3>}	103.1910	0.000	1	103.1910	0.000	1	103.1910	0.000	1	103.1910	0.000	1	104.1154	11.494	31	105.9984	8.236	177
474	818	999	5:SP3_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:1:	4:4:3:	4:4:4:4:	N[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:C[5]-4:C-4:C-4:	C[5](N[5]C[5,6]CC)(C[5]C[5,6]C)(H)2	C[5](C[5,6]C[5,6]2H)(C[5]N[5]HH)(CCH)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCHH)(CH3)	C[5](N[5]C[5,6]CC)(C[5]C[5,6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]2H)(C[5]N[5]HH)(CCH){1|H<1>,2|C<3>,4|C<4>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCHH)(CH3){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	106.3180	0.000	2	106.3180	0.000	2	106.3180	0.000	2	106.3180	0.000	2	104.1154	11.494	31	105.9984	8.236	177
474	818	999	5:SP3_SP2_SP3	C[5]	C[5]	N[5]	4:3:4:1:	3:4:1:	4:4:1:1:	N[5]-4:C[5]-3:C-4:H-1:	N[5,6a]-3:C[5]-4:O-1:	B[5,6a]-4:C[5]-4:H-1:H-1:	C[5](N[5]B[5,6a]HH)(C[5]N[5,6a]O)(CC[6a]HH)(H)	C[5](N[5,6a]B[5,6a]N[6a])(C[5]N[5]CH)(O)	N[5](B[5,6a]C[6a,6a]N[5,6a]O)(C[5]C[5]CH)(H)2	C[5](N[5]B[5,6a]HH)(C[5]N[5,6a]O)(CC[6a]HH)(H){1|C<3>,1|N<2>,1|O<2>}	C[5](N[5,6a]B[5,6a]N[6a])(C[5]N[5]CH)(O){1|O<2>,2|C<3>,2|H<1>}	N[5](B[5,6a]C[6a,6a]N[5,6a]O)(C[5]C[5]CH)(H)2{1|N<2>,1|O<1>,2|C<3>}	104.3060	0.000	1	104.3060	0.000	1	104.3060	0.000	1	104.3060	0.000	1	104.1154	11.494	31	105.9984	8.236	177
474	818	999	5:SP3_SP2_SP3	C[5]	C[5]	N[5]	4:3:4:1:	3:4:1:	4:4:4:4:	N[5]-4:C[5]-3:C-4:H-1:	N[5,6a]-3:C[5]-4:O-1:	B[5,6a]-4:C[5]-4:C-4:C-4:	C[5](N[5]B[5,6a]CC)(C[5]N[5,6a]O)(CC[6a]HH)(H)	C[5](N[5,6a]B[5,6a]N[6a])(C[5]N[5]CH)(O)	N[5](B[5,6a]C[6a,6a]N[5,6a]O)(C[5]C[5]CH)(CH3)2	C[5](N[5]B[5,6a]CC)(C[5]N[5,6a]O)(CC[6a]HH)(H){1|C<3>,1|N<2>,1|O<2>}	C[5](N[5,6a]B[5,6a]N[6a])(C[5]N[5]CH)(O){1|O<2>,2|C<3>,2|C<4>}	N[5](B[5,6a]C[6a,6a]N[5,6a]O)(C[5]C[5]CH)(CH3)2{1|N<2>,1|O<1>,2|C<3>}	104.1800	0.000	1	104.1800	0.000	1	104.1800	0.000	1	104.1800	0.000	1	104.1154	11.494	31	105.9984	8.236	177
474	818	999	5:SP3_SP2_SP3	C[5]	C[5]	N[5]	4:3:4:1:	4:2:1:	4:4:1:1:	N[5]-4:C[5]-3:C-4:H-1:	C[5]-4:O[5]-2:O-1:	B[5,6]-4:C[5]-4:H-1:H-1:	C[5](N[5]B[5,6]HH)(C[5]O[5]O)(CH3)(H)	C[5](C[5]N[5]CH)(O[5]B[5,6])(O)	N[5](B[5,6]C[6]2O[5])(C[5]C[5]CH)(H)2	C[5](N[5]B[5,6]HH)(C[5]O[5]O)(CH3)(H){2|C<4>}	C[5](C[5]N[5]CH)(O[5]B[5,6])(O){2|C<4>,2|H<1>}	N[5](B[5,6]C[6]2O[5])(C[5]C[5]CH)(H)2{1|O<1>,2|H<1>,4|C<4>}	104.3610	0.000	1	104.3610	0.000	1	104.3610	0.000	1	104.3610	0.000	1	104.1154	11.494	31	105.9984	8.236	177
474	818	999	5:SP3_SP2_SP3	C[5]	C[5]	N[5]	4:3:4:1:	4:2:1:	4:4:4:1:	N[5]-4:C[5]-3:C-4:H-1:	C[5]-4:O[5]-2:O-1:	Ga[5]-4:C[5]-4:C-4:H-1:	C[5](N[5]Ga[5]CH)(C[5]O[5]O)(CH3)(H)	C[5](C[5]N[5]CH)(O[5]Ga[5])(O)	N[5](Ga[5]O[5]OO)(C[5]C[5]CH)(CC3)(H)	C[5](N[5]Ga[5]CH)(C[5]O[5]O)(CH3)(H){2|O<2>}	C[5](C[5]N[5]CH)(O[5]Ga[5])(O){1|C<4>,1|H<1>,2|O<2>}	N[5](Ga[5]O[5]OO)(C[5]C[5]CH)(CC3)(H){1|O<1>}	107.9400	0.000	1	107.9400	0.000	1	107.9400	0.000	1	107.9400	0.000	1	104.1154	11.494	31	105.9984	8.236	177
474	818	999	5:SP3_SP2_SP3	C[5]	C[5]	N[5]	4:3:4:1:	4:3:1:	4:4:1:1:	N[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5](N[5]C[5]HH)(C[5]C[5]H)(CHHO)(H)	C[5](C[5]N[5]CH)(C[5]C[5]H)(H)	N[5](C[5]C[5]CH)2(H)2	C[5](N[5]C[5]HH)(C[5]C[5]H)(CHHO)(H){1|C<4>,2|H<1>}	C[5](C[5]N[5]CH)(C[5]C[5]H)(H){1|C<4>,3|H<1>}	N[5](C[5]C[5]CH)2(H)2{2|H<1>}	102.7015	0.368	2	102.7015	0.136	2	102.7015	0.136	2	101.5341	0.760	14	104.1154	11.494	31	105.9984	8.236	177
474	818	999	5:SP3_SP2_SP3	C[5]	C[5]	N[5]	4:3:4:1:	4:3:1:	4:4:1:1:	N[5]-4:C[5]-3:C-4:H-1:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5](N[5]C[5]HH)(C[5]N[5]O)(CCHH)(H)	C[5](C[5]N[5]CH)(N[5]C[5]C)(O)	N[5](C[5]C[5]CH)(C[5]N[5]CC)(H)2	C[5](N[5]C[5]HH)(C[5]N[5]O)(CCHH)(H){3|C<4>}	C[5](C[5]N[5]CH)(N[5]C[5]C)(O){2|C<4>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]N[5]CC)(H)2{1|C<4>,1|O<1>}	102.1430	0.000	1	102.1430	0.000	1	101.3395	0.597	12	101.5341	0.760	14	104.1154	11.494	31	105.9984	8.236	177
474	818	999	5:SP3_SP2_SP3	C[5]	C[5]	N[5]	4:3:4:1:	4:3:1:	4:4:1:1:	N[5]-4:C[5]-3:C-4:H-1:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5](N[5]C[5]HH)(C[5]N[5]O)(CC[6a]HH)(H)	C[5](C[5]N[5]CH)(N[5]C[5]C)(O)	N[5](C[5]C[5]CH)(C[5]N[5]CC)(H)2	C[5](N[5]C[5]HH)(C[5]N[5]O)(CC[6a]HH)(H){3|C<4>}	C[5](C[5]N[5]CH)(N[5]C[5]C)(O){2|C<4>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]N[5]CC)(H)2{1|C<4>,1|O<1>}	101.2467	0.804	10	101.2467	0.647	10	101.3395	0.597	12	101.5341	0.760	14	104.1154	11.494	31	105.9984	8.236	177
474	818	999	5:SP3_SP2_SP3	C[5]	C[5]	N[5]	4:3:4:1:	4:3:1:	4:4:1:1:	N[5]-4:C[5]-3:C-4:H-1:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5](N[5]C[5]HH)(C[5]N[5]O)(CC[6a]HH)(H)	C[5](C[5]N[5]CH)(N[5]C[5]C)(O)	N[5](C[5]C[6a]N[5]C)(C[5]C[5]CH)(H)2	C[5](N[5]C[5]HH)(C[5]N[5]O)(CC[6a]HH)(H){1|C<3>,2|C<4>}	C[5](C[5]N[5]CH)(N[5]C[5]C)(O){1|C<3>,1|C<4>,2|H<1>}	N[5](C[5]C[6a]N[5]C)(C[5]C[5]CH)(H)2{1|C<4>,1|O<1>,2|C<3>}	101.4640	0.000	1	101.4640	0.000	1	101.3395	0.597	12	101.5341	0.760	14	104.1154	11.494	31	105.9984	8.236	177
474	818	999	5:SP3_SP2_SP3	C[5]	C[5]	N[5]	4:3:4:1:	4:4:3:	4:4:1:1:	N[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-4:H-1:H-1:	C[5](N[5]C[5]HH)(C[5]C[5]C)(CCHH)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CC[6a]H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](N[5]C[5]HH)(C[5]C[5]C)(CCHH)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CC[6a]H){4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>}	102.2770	0.000	1	102.2770	0.000	1	102.2770	0.000	1	102.2770	0.000	1	104.1154	11.494	31	105.9984	8.236	177
474	818	999	6:SP3_SP2_SP3	C[5,5,6,6]	C[5,6,6]	N[5,6,6]	4:3:4:4:	4:4:3:	4:4:4:1:	N[5,6,6]-4:C[5,6,6]-3:C[6,6]-4:C[5,5,6]-4:	C[5,5,6,6]-4:C[5,6,6]-4:C[6]-3:	C[5,5,6,6]-4:C[5,3x6]-4:C[6]-4:H-1:	C[5,5,6,6](N[5,6,6]C[5,3x6]C[6]H)(C[5,6,6]C[5,6,6]C[6])(C[6,6]C[6,6]C[6]H)(C[5,5,6]C[5,6]2H)	C[5,6,6](C[5,5,6,6]C[5,5,6]N[5,6,6]C[6,6])(C[5,6,6]C[3x6]C[5,6]O)(C[6]C[6]C)	N[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]C[6,6])(C[5,3x6]C[3x6]C[5,6]H)(C[6]C[6]CH)(H)	C[5,5,6,6](N[5,6,6]C[5,3x6]C[6]H)(C[5,6,6]C[5,6,6]C[6])(C[6,6]C[6,6]C[6]H)(C[5,5,6]C[5,6]2H){1|C<3>,1|O<2>,6|C<4>,9|H<1>}	C[5,6,6](C[5,5,6,6]C[5,5,6]N[5,6,6]C[6,6])(C[5,6,6]C[3x6]C[5,6]O)(C[6]C[6]C){1|O<2>,6|C<4>,7|H<1>}	N[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]C[6,6])(C[5,3x6]C[3x6]C[5,6]H)(C[6]C[6]CH)(H){1|C<3>,5|C<4>,7|H<1>}	105.0375	0.841	2	105.0067	0.356	3	105.0067	0.356	3	105.0067	0.356	3	105.0067	0.356	3	105.0067	0.356	3
474	818	999	6:SP3_SP2_SP3	C[5,5,6,6]	C[5,6,6]	N[5,6,6]	4:3:4:4:	4:4:3:	4:4:4:1:	N[5,6,6]-4:C[5,6,6]-3:C[6,6]-4:C[5,5,6]-4:	C[5,5,6,6]-4:C[5,6,6]-4:C[6]-3:	C[5,5,6,6]-4:C[5,3x6]-4:C[6]-4:H-1:	C[5,5,6,6](N[5,6,6]C[5,3x6]C[6]H)(C[5,6,6]C[5,6,6]C[6])(C[6,6]C[6,6]C[6]H)(C[5,5,6]C[5,6]2H)	C[5,6,6](C[5,5,6,6]C[5,5,6]N[5,6,6]C[6,6])(C[5,6,6]C[3x6]C[5,6]O)(C[6]C[6]C)	N[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]C[6,6])(C[5,3x6]C[3x6]C[5,6]H)(C[6]C[6]CH)(H)	C[5,5,6,6](N[5,6,6]C[5,3x6]C[6]H)(C[5,6,6]C[5,6,6]C[6])(C[6,6]C[6,6]C[6]H)(C[5,5,6]C[5,6]2H){1|O<2>,2|C<3>,5|C<4>,9|H<1>}	C[5,6,6](C[5,5,6,6]C[5,5,6]N[5,6,6]C[6,6])(C[5,6,6]C[3x6]C[5,6]O)(C[6]C[6]C){1|O<1>,6|C<4>,6|H<1>}	N[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]C[6,6])(C[5,3x6]C[3x6]C[5,6]H)(C[6]C[6]CH)(H){1|C<3>,5|C<4>,7|H<1>}	104.9450	0.000	1	105.0067	0.356	3	105.0067	0.356	3	105.0067	0.356	3	105.0067	0.356	3	105.0067	0.356	3
474	830	830	0:SP3_SP-NON_SP-NON	C[5,6]	F	F	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:F-1:F-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]C[5]O)(C[5,5,6]C[5,6]O[5,5]H)(F)2	F(C[5,6]C[5,5,6]2F)	F(C[5,6]C[5,5,6]2F)	C[5,6](C[5,5,6]C[3x5,6]C[5]O)(C[5,5,6]C[5,6]O[5,5]H)(F)2{1|C<4>,1|O<1>,1|O<2>,1|S<2>,2|H<1>}	F(C[5,6]C[5,5,6]2F)	F(C[5,6]C[5,5,6]2F)	106.7240	0.000	1	106.7240	0.000	1	105.8193	0.785	3	105.9150	0.555	9	105.9150	0.555	9	106.0408	1.749	378
474	830	830	0:SP3_SP-NON_SP-NON	C[5,6]	F	F	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:F-1:F-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5]O[5])(C[5,5,6]C[5,6]O[5,5]H)(F)2	F(C[5,6]C[5,5,6]2F)	F(C[5,6]C[5,5,6]2F)	C[5,6](C[5,5,6]C[5,5,6]C[5]O[5])(C[5,5,6]C[5,6]O[5,5]H)(F)2{1|C<3>,1|O<2>,1|S<4>,2|C<4>,3|H<1>}	F(C[5,6]C[5,5,6]2F)	F(C[5,6]C[5,5,6]2F)	105.7810	0.000	1	105.3670	0.343	2	105.8193	0.785	3	105.9150	0.555	9	105.9150	0.555	9	106.0408	1.749	378
474	830	830	0:SP3_SP-NON_SP-NON	C[5,6]	F	F	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:F-1:F-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5]O[5])(C[5,5,6]C[5,6]O[5,5]H)(F)2	F(C[5,6]C[5,5,6]2F)	F(C[5,6]C[5,5,6]2F)	C[5,6](C[5,5,6]C[5,5,6]C[5]O[5])(C[5,5,6]C[5,6]O[5,5]H)(F)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	F(C[5,6]C[5,5,6]2F)	F(C[5,6]C[5,5,6]2F)	104.9530	0.000	1	105.3670	0.343	2	105.8193	0.785	3	105.9150	0.555	9	105.9150	0.555	9	106.0408	1.749	378
474	830	830	0:SP3_SP-NON_SP-NON	C[5,6]	F	F	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:F-1:F-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CO)(F)2	F(C[5,6]C[5,5,6]C[5,6]F)	F(C[5,6]C[5,5,6]C[5,6]F)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CO)(F)2{1|C<3>,1|C<4>,1|H<1>}	F(C[5,6]C[5,5,6]C[5,6]F)	F(C[5,6]C[5,5,6]C[5,6]F)	105.5900	0.000	1	105.9102	0.687	5	105.9102	0.687	5	105.9150	0.555	9	105.9150	0.555	9	106.0408	1.749	378
474	830	830	0:SP3_SP-NON_SP-NON	C[5,6]	F	F	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:F-1:F-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CO)(F)2	F(C[5,6]C[5,5,6]C[5,6]F)	F(C[5,6]C[5,5,6]C[5,6]F)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CO)(F)2{1|C<3>,2|H<1>}	F(C[5,6]C[5,5,6]C[5,6]F)	F(C[5,6]C[5,5,6]C[5,6]F)	106.0963	1.115	3	105.9102	0.687	5	105.9102	0.687	5	105.9150	0.555	9	105.9150	0.555	9	106.0408	1.749	378
474	830	830	0:SP3_SP-NON_SP-NON	C[5,6]	F	F	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:F-1:F-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CO)(F)2	F(C[5,6]C[5,5,6]C[5,6]F)	F(C[5,6]C[5,5,6]C[5,6]F)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CO)(F)2{1|H<1>,1|S<2>,2|C<4>}	F(C[5,6]C[5,5,6]C[5,6]F)	F(C[5,6]C[5,5,6]C[5,6]F)	105.6720	0.000	1	105.9102	0.687	5	105.9102	0.687	5	105.9150	0.555	9	105.9150	0.555	9	106.0408	1.749	378
474	830	830	0:SP3_SP-NON_SP-NON	C[5,6]	F	F	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5,5,6]-4:F-1:F-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6,6]O[6]C)(C[5,5,6]C[5,6]O[5,5]H)(F)2	F(C[5,6]C[5,5,6]C[5,6,6]F)	F(C[5,6]C[5,5,6]C[5,6,6]F)	C[5,6](C[5,6,6]C[5,5,6,6]O[6]C)(C[5,5,6]C[5,6]O[5,5]H)(F)2{1|C<3>,1|H<1>,1|S<2>,2|C<4>}	F(C[5,6]C[5,5,6]C[5,6,6]F)	F(C[5,6]C[5,5,6]C[5,6,6]F)	106.2260	0.000	1	106.2260	0.000	1	106.2260	0.000	1	105.9150	0.555	9	105.9150	0.555	9	106.0408	1.749	378
474	830	830	0:SP3_SP-NON_SP-NON	C[5]	F	F	2:2:1:1:	4:	4:	O[5]-2:O[5]-2:F-1:F-1:	C[5]-4:	C[5]-4:	C[5](O[5]C[5,6a])2(F)2	F(C[5]O[5]2F)	F(C[5]O[5]2F)	C[5](O[5]C[5,6a])2(F)2{2|C<3>}	F(C[5]O[5]2F)	F(C[5]O[5]2F)	105.5067	0.474	3	105.5067	0.225	3	105.5067	0.225	3	105.5067	0.225	3	106.0439	1.779	369	106.0408	1.749	378
474	830	830	0:SP3_SP-NON_SP-NON	C[5]	F	F	3:2:1:1:	4:	4:	C[5,6a]-3:O[5]-2:F-1:F-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(F)2	F(C[5]C[5,6a]O[5]F)	F(C[5]C[5,6a]O[5]F)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(F)2{2|F<1>,3|C<3>}	F(C[5]C[5,6a]O[5]F)	F(C[5]C[5,6a]O[5]F)	105.6680	0.344	2	105.6680	0.118	2	105.6680	0.118	2	105.6680	0.118	2	106.0439	1.779	369	106.0408	1.749	378
474	830	830	0:SP3_SP-NON_SP-NON	C[5]	F	F	3:3:1:1:	4:	4:	C[5,6a]-3:C[5,6a]-3:F-1:F-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(F)2	F(C[5]C[5,6a]2F)	F(C[5]C[5,6a]2F)	C[5](C[5,6a]C[5,6a]C[6a])2(F)2{2|H<1>,4|C<3>}	F(C[5]C[5,6a]2F)	F(C[5]C[5,6a]2F)	103.8855	0.392	2	103.8855	0.154	2	103.8855	0.154	2	105.2985	3.436	15	106.0439	1.779	369	106.0408	1.749	378
474	830	830	0:SP3_SP-NON_SP-NON	C[5]	F	F	3:3:1:1:	4:	4:	C[5,6a]-3:C[5]-3:F-1:F-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(F)2	F(C[5]C[5,6a]C[5]F)	F(C[5]C[5,6a]C[5]F)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(F)2{2|C<3>,2|H<1>}	F(C[5]C[5,6a]C[5]F)	F(C[5]C[5,6a]C[5]F)	104.4840	0.000	1	104.4840	0.000	1	105.4165	0.321	6	105.2985	3.436	15	106.0439	1.779	369	106.0408	1.749	378
474	830	830	0:SP3_SP-NON_SP-NON	C[5]	F	F	3:3:1:1:	4:	4:	C[5,6a]-3:C[5]-3:F-1:F-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(F)2	F(C[5]C[5,6a]C[5]F)	F(C[5]C[5,6a]C[5]F)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(F)2{2|C<3>,2|H<1>}	F(C[5]C[5,6a]C[5]F)	F(C[5]C[5,6a]C[5]F)	105.6995	0.354	4	105.6995	0.125	4	105.4165	0.321	6	105.2985	3.436	15	106.0439	1.779	369	106.0408	1.749	378
474	830	830	0:SP3_SP-NON_SP-NON	C[5]	F	F	3:3:1:1:	4:	4:	C[5,6a]-3:C[5]-3:F-1:F-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]O)(F)2	F(C[5]C[5,6a]C[5]F)	F(C[5]C[5,6a]C[5]F)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]O)(F)2{1|H<1>,3|C<3>}	F(C[5]C[5,6a]C[5]F)	F(C[5]C[5,6a]C[5]F)	105.2170	0.000	1	105.2170	0.000	1	105.4165	0.321	6	105.2985	3.436	15	106.0439	1.779	369	106.0408	1.749	378
474	830	830	0:SP3_SP-NON_SP-NON	C[5]	F	F	3:3:1:1:	4:	4:	C[5,6a]-3:N[5]-3:F-1:F-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(F)2	F(C[5]C[5,6a]N[5]F)	F(C[5]C[5,6a]N[5]F)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(F)2{1|H<1>,1|O<1>,2|C<3>}	F(C[5]C[5,6a]N[5]F)	F(C[5]C[5,6a]N[5]F)	105.6500	0.000	1	105.6500	0.000	1	105.6500	0.000	1	105.2985	3.436	15	106.0439	1.779	369	106.0408	1.749	378
474	830	830	0:SP3_SP-NON_SP-NON	C[5]	F	F	3:3:1:1:	4:	4:	C[5]-3:C[5]-3:F-1:F-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5a]O)2(F)2	F(C[5]C[5]2F)	F(C[5]C[5]2F)	C[5](C[5]C[5,5a]O)2(F)2{1|C<3>,1|S<2>}	F(C[5]C[5]2F)	F(C[5]C[5]2F)	107.4040	0.000	1	106.6990	1.232	5	106.6990	1.232	5	105.2985	3.436	15	106.0439	1.779	369	106.0408	1.749	378
474	830	830	0:SP3_SP-NON_SP-NON	C[5]	F	F	3:3:1:1:	4:	4:	C[5]-3:C[5]-3:F-1:F-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5a]O)2(F)2	F(C[5]C[5]2F)	F(C[5]C[5]2F)	C[5](C[5]C[5,5a]O)2(F)2{2|C<3>}	F(C[5]C[5]2F)	F(C[5]C[5]2F)	106.5228	1.198	4	106.6990	1.232	5	106.6990	1.232	5	105.2985	3.436	15	106.0439	1.779	369	106.0408	1.749	378
474	830	830	0:SP3_SP-NON_SP-NON	C[5]	F	F	3:3:1:1:	4:	4:	N[5]-3:N[5]-3:F-1:F-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[5]C)2(F)2	F(C[5]N[5]2F)	F(C[5]N[5]2F)	C[5](N[5]C[5]C)2(F)2{4|H<1>}	F(C[5]N[5]2F)	F(C[5]N[5]2F)	100.0630	0.000	1	100.0630	0.000	1	100.0630	0.000	1	105.2985	3.436	15	106.0439	1.779	369	106.0408	1.749	378
474	830	830	0:SP3_SP-NON_SP-NON	C[5]	F	F	3:4:1:1:	4:	4:	C[5,6]-3:C[5]-4:F-1:F-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]2)(C[5]C[5]FF)(F)2	F(C[5]C[5,6]C[5]F)	F(C[5]C[5,6]C[5]F)	C[5](C[5,6]C[5,6]2)(C[5]C[5]FF)(F)2{1|C<4>,1|H<1>,2|C<3>,2|F<1>}	F(C[5]C[5,6]C[5]F)	F(C[5]C[5,6]C[5]F)	105.8500	0.000	1	105.5885	0.596	21	105.5935	0.568	22	105.7609	0.843	195	106.0439	1.779	369	106.0408	1.749	378
474	830	830	0:SP3_SP-NON_SP-NON	C[5]	F	F	3:4:1:1:	4:	4:	C[5,6]-3:C[5]-4:F-1:F-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]2)(C[5]C[5]FF)(F)2	F(C[5]C[5,6]C[5]F)	F(C[5]C[5,6]C[5]F)	C[5](C[5,6]C[5,6]2)(C[5]C[5]FF)(F)2{1|C<4>,2|C<3>,2|F<1>}	F(C[5]C[5,6]C[5]F)	F(C[5]C[5,6]C[5]F)	105.5754	0.790	20	105.5885	0.596	21	105.5935	0.568	22	105.7609	0.843	195	106.0439	1.779	369	106.0408	1.749	378
474	830	830	0:SP3_SP-NON_SP-NON	C[5]	F	F	3:4:1:1:	4:	4:	C[5,6]-3:C[5]-4:F-1:F-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5a,6]C[5,6])(C[5]C[5]FF)(F)2	F(C[5]C[5,6]C[5]F)	F(C[5]C[5,6]C[5]F)	C[5](C[5,6]C[5a,6]C[5,6])(C[5]C[5]FF)(F)2{1|C<4>,2|C<3>,2|F<1>}	F(C[5]C[5,6]C[5]F)	F(C[5]C[5,6]C[5]F)	105.6980	0.000	1	105.6980	0.000	1	105.5935	0.568	22	105.7609	0.843	195	106.0439	1.779	369	106.0408	1.749	378
474	830	830	0:SP3_SP-NON_SP-NON	C[5]	F	F	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:F-1:F-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]H)(F)2	F(C[5]C[5,6a]C[5]F)	F(C[5]C[5,6a]C[5]F)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]H)(F)2{1|F<1>,2|C<3>,2|C<4>,3|H<1>}	F(C[5]C[5,6a]C[5]F)	F(C[5]C[5,6a]C[5]F)	104.8600	0.000	1	104.8600	0.000	1	104.9501	0.947	11	105.7609	0.843	195	106.0439	1.779	369	106.0408	1.749	378
474	830	830	0:SP3_SP-NON_SP-NON	C[5]	F	F	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:F-1:F-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]FF)(F)2	F(C[5]C[5,6a]C[5]F)	F(C[5]C[5,6a]C[5]F)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]FF)(F)2{2|F<1>,3|C<3>}	F(C[5]C[5,6a]C[5]F)	F(C[5]C[5,6a]C[5]F)	105.5640	0.252	3	105.5640	0.064	3	104.9501	0.947	11	105.7609	0.843	195	106.0439	1.779	369	106.0408	1.749	378
474	830	830	0:SP3_SP-NON_SP-NON	C[5]	F	F	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:F-1:F-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]O)(F)2	F(C[5]C[5,6a]C[5]F)	F(C[5]C[5,6a]C[5]F)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]O)(F)2{1|C<4>,1|H<1>,4|C<3>}	F(C[5]C[5,6a]C[5]F)	F(C[5]C[5,6a]C[5]F)	104.1670	0.000	1	104.1670	0.000	1	104.9501	0.947	11	105.7609	0.843	195	106.0439	1.779	369	106.0408	1.749	378
474	830	830	0:SP3_SP-NON_SP-NON	C[5]	F	F	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:F-1:F-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5]C[5]FF)(F)2	F(C[5]C[5,6a]C[5]F)	F(C[5]C[5,6a]C[5]F)	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5]C[5]FF)(F)2{2|F<1>,3|C<3>}	F(C[5]C[5,6a]C[5]F)	F(C[5]C[5,6a]C[5]F)	104.7796	1.363	5	104.7796	1.859	5	104.9501	0.947	11	105.7609	0.843	195	106.0439	1.779	369	106.0408	1.749	378
474	830	830	0:SP3_SP-NON_SP-NON	C[5]	F	F	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:F-1:F-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]FF)(F)2	F(C[5]C[5,6a]C[5]F)	F(C[5]C[5,6a]C[5]F)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]FF)(F)2{4|C<3>}	F(C[5]C[5,6a]C[5]F)	F(C[5]C[5,6a]C[5]F)	104.8340	0.000	1	104.8340	0.000	1	104.9501	0.947	11	105.7609	0.843	195	106.0439	1.779	369	106.0408	1.749	378
474	830	830	0:SP3_SP-NON_SP-NON	C[5]	F	F	3:4:1:1:	4:	4:	C[5]-3:C[5]-4:F-1:F-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]FF)(F)2	F(C[5]C[5]2F)	F(C[5]C[5]2F)	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]FF)(F)2{1|C<4>,3|C<3>}	F(C[5]C[5]2F)	F(C[5]C[5]2F)	105.5950	0.000	1	105.5950	0.000	1	105.8387	0.828	162	105.7609	0.843	195	106.0439	1.779	369	106.0408	1.749	378
474	830	830	0:SP3_SP-NON_SP-NON	C[5]	F	F	3:4:1:1:	4:	4:	C[5]-3:C[5]-4:F-1:F-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2	F(C[5]C[5]2F)	F(C[5]C[5]2F)	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2{1|N<2>,2|C<3>,2|F<1>}	F(C[5]C[5]2F)	F(C[5]C[5]2F)	106.2139	0.656	13	105.8363	0.836	156	105.8387	0.828	162	105.7609	0.843	195	106.0439	1.779	369	106.0408	1.749	378
474	830	830	0:SP3_SP-NON_SP-NON	C[5]	F	F	3:4:1:1:	4:	4:	C[5]-3:C[5]-4:F-1:F-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2	F(C[5]C[5]2F)	F(C[5]C[5]2F)	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2{1|O<1>,3|C<3>}	F(C[5]C[5]2F)	F(C[5]C[5]2F)	106.1940	0.000	1	105.8363	0.836	156	105.8387	0.828	162	105.7609	0.843	195	106.0439	1.779	369	106.0408	1.749	378
474	830	830	0:SP3_SP-NON_SP-NON	C[5]	F	F	3:4:1:1:	4:	4:	C[5]-3:C[5]-4:F-1:F-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2	F(C[5]C[5]2F)	F(C[5]C[5]2F)	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2{1|S<2>,2|C<3>,2|F<1>}	F(C[5]C[5]2F)	F(C[5]C[5]2F)	105.4117	0.946	9	105.8363	0.836	156	105.8387	0.828	162	105.7609	0.843	195	106.0439	1.779	369	106.0408	1.749	378
474	830	830	0:SP3_SP-NON_SP-NON	C[5]	F	F	3:4:1:1:	4:	4:	C[5]-3:C[5]-4:F-1:F-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2	F(C[5]C[5]2F)	F(C[5]C[5]2F)	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2{2|F<1>,3|C<3>}	F(C[5]C[5]2F)	F(C[5]C[5]2F)	105.8254	0.927	133	105.8363	0.836	156	105.8387	0.828	162	105.7609	0.843	195	106.0439	1.779	369	106.0408	1.749	378
474	830	830	0:SP3_SP-NON_SP-NON	C[5]	F	F	3:4:1:1:	4:	4:	C[5]-3:C[5]-4:F-1:F-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5])(C[5]C[5]FF)(F)2	F(C[5]C[5]2F)	F(C[5]C[5]2F)	C[5](C[5]C[6a]C[5])(C[5]C[5]FF)(F)2{2|F<1>,3|C<3>}	F(C[5]C[5]2F)	F(C[5]C[5]2F)	105.9640	0.957	5	105.9640	0.916	5	105.8387	0.828	162	105.7609	0.843	195	106.0439	1.779	369	106.0408	1.749	378
474	830	830	0:SP3_SP-NON_SP-NON	C[5]	F	F	4:3:1:1:	4:	4:	C[5,5]-4:C[5,6a]-3:F-1:F-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]N[5,5]C[6a])(C[5,6a]C[5,6a]C[6a])(F)2	F(C[5]C[5,6a]C[5,5]F)	F(C[5]C[5,6a]C[5,5]F)	C[5](C[5,5]C[5,5]N[5,5]C[6a])(C[5,6a]C[5,6a]C[6a])(F)2{1|C<4>,1|H<1>,1|N<2>,5|C<3>}	F(C[5]C[5,6a]C[5,5]F)	F(C[5]C[5,6a]C[5,5]F)	104.5245	0.344	2	104.2400	0.302	3	104.2400	0.302	3	105.1317	0.791	20	106.0439	1.779	369	106.0408	1.749	378
474	830	830	0:SP3_SP-NON_SP-NON	C[5]	F	F	4:3:1:1:	4:	4:	C[5,5]-4:C[5,6a]-3:F-1:F-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]N[5,5]C[6a])(C[5,6a]C[5,6a]C[6a])(F)2	F(C[5]C[5,6a]C[5,5]F)	F(C[5]C[5,6a]C[5,5]F)	C[5](C[5,5]C[5,5]N[5,5]C[6a])(C[5,6a]C[5,6a]C[6a])(F)2{1|H<1>,1|N<2>,2|C<4>,4|C<3>}	F(C[5]C[5,6a]C[5,5]F)	F(C[5]C[5,6a]C[5,5]F)	103.6710	0.000	1	104.2400	0.302	3	104.2400	0.302	3	105.1317	0.791	20	106.0439	1.779	369	106.0408	1.749	378
474	830	830	0:SP3_SP-NON_SP-NON	C[5]	F	F	4:3:1:1:	4:	4:	C[5,5]-4:C[5]-3:F-1:F-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[6a]C[5])(F)2	F(C[5]C[5,5]C[5]F)	F(C[5]C[5,5]C[5]F)	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[6a]C[5])(F)2{8|C<3>}	F(C[5]C[5,5]C[5]F)	F(C[5]C[5,5]C[5]F)	104.3300	0.000	1	104.3300	0.000	1	104.3300	0.000	1	105.1317	0.791	20	106.0439	1.779	369	106.0408	1.749	378
474	830	830	0:SP3_SP-NON_SP-NON	C[5]	F	F	4:3:1:1:	4:	4:	C[5,6]-4:N[5]-3:F-1:F-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]O[5,6]O[6]C)(N[5]C[5,6]C[6a])(F)2	F(C[5]C[5,6]N[5]F)	F(C[5]C[5,6]N[5]F)	C[5](C[5,6]O[5,6]O[6]C)(N[5]C[5,6]C[6a])(F)2{1|H<1>,4|C<3>}	F(C[5]C[5,6]N[5]F)	F(C[5]C[5,6]N[5]F)	103.7570	0.000	1	103.7570	0.000	1	103.7570	0.000	1	105.1317	0.791	20	106.0439	1.779	369	106.0408	1.749	378
474	830	830	0:SP3_SP-NON_SP-NON	C[5]	F	F	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:F-1:F-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]H)(F)2	F(C[5]C[5]2F)	F(C[5]C[5]2F)	C[5](C[5]C[5]CH)(C[5]C[5]H)(F)2{1|N<3>,2|H<1>}	F(C[5]C[5]2F)	F(C[5]C[5]2F)	104.0150	0.000	1	104.0150	0.000	1	105.4552	0.567	15	105.1317	0.791	20	106.0439	1.779	369	106.0408	1.749	378
474	830	830	0:SP3_SP-NON_SP-NON	C[5]	F	F	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:F-1:F-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]O)(F)2	F(C[5]C[5]2F)	F(C[5]C[5]2F)	C[5](C[5]C[5]CH)(C[5]N[5]O)(F)2{1|C<3>,2|H<1>}	F(C[5]C[5]2F)	F(C[5]C[5]2F)	105.2960	0.000	1	105.2960	0.000	1	105.4552	0.567	15	105.1317	0.791	20	106.0439	1.779	369	106.0408	1.749	378
474	830	830	0:SP3_SP-NON_SP-NON	C[5]	F	F	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:F-1:F-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]FF)(C[5]C[5]2)(F)2	F(C[5]C[5]2F)	F(C[5]C[5]2F)	C[5](C[5]C[5]FF)(C[5]C[5]2)(F)2{1|S<2>,2|C<3>,2|F<1>}	F(C[5]C[5]2F)	F(C[5]C[5]2F)	106.4365	0.366	2	106.4365	0.134	2	105.4552	0.567	15	105.1317	0.791	20	106.0439	1.779	369	106.0408	1.749	378
474	830	830	0:SP3_SP-NON_SP-NON	C[5]	F	F	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:F-1:F-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]FF)(C[5]C[5]C)(F)2	F(C[5]C[5]2F)	F(C[5]C[5]2F)	C[5](C[5]C[5]FF)(C[5]C[5]C)(F)2{1|C<3>,1|F<1>}	F(C[5]C[5]2F)	F(C[5]C[5]2F)	104.6555	0.162	2	104.9460	0.266	3	105.4552	0.567	15	105.1317	0.791	20	106.0439	1.779	369	106.0408	1.749	378
474	830	830	0:SP3_SP-NON_SP-NON	C[5]	F	F	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:F-1:F-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]FF)(C[5]C[5]C)(F)2	F(C[5]C[5]2F)	F(C[5]C[5]2F)	C[5](C[5]C[5]FF)(C[5]C[5]C)(F)2{1|F<1>,1|O<1>}	F(C[5]C[5]2F)	F(C[5]C[5]2F)	105.5270	0.000	1	104.9460	0.266	3	105.4552	0.567	15	105.1317	0.791	20	106.0439	1.779	369	106.0408	1.749	378
474	830	830	0:SP3_SP-NON_SP-NON	C[5]	F	F	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:F-1:F-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]FF)(C[5]C[5]O)(F)2	F(C[5]C[5]2F)	F(C[5]C[5]2F)	C[5](C[5]C[5]FF)(C[5]C[5]O)(F)2{1|C<3>,1|F<1>}	F(C[5]C[5]2F)	F(C[5]C[5]2F)	105.6660	0.000	1	105.7470	0.344	6	105.4552	0.567	15	105.1317	0.791	20	106.0439	1.779	369	106.0408	1.749	378
474	830	830	0:SP3_SP-NON_SP-NON	C[5]	F	F	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:F-1:F-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]FF)(C[5]C[5]O)(F)2	F(C[5]C[5]2F)	F(C[5]C[5]2F)	C[5](C[5]C[5]FF)(C[5]C[5]O)(F)2{1|O<2>,2|F<1>}	F(C[5]C[5]2F)	F(C[5]C[5]2F)	105.4870	0.251	4	105.7470	0.344	6	105.4552	0.567	15	105.1317	0.791	20	106.0439	1.779	369	106.0408	1.749	378
474	830	830	0:SP3_SP-NON_SP-NON	C[5]	F	F	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:F-1:F-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]FF)(C[5]C[5]O)(F)2	F(C[5]C[5]2F)	F(C[5]C[5]2F)	C[5](C[5]C[5]FF)(C[5]C[5]O)(F)2{2|C<3>}	F(C[5]C[5]2F)	F(C[5]C[5]2F)	106.8680	0.000	1	105.7470	0.344	6	105.4552	0.567	15	105.1317	0.791	20	106.0439	1.779	369	106.0408	1.749	378
474	830	830	0:SP3_SP-NON_SP-NON	C[5]	F	F	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:F-1:F-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(F)2	F(C[5]C[5]2F)	F(C[5]C[5]2F)	C[5](C[5]C[5]HH)(C[5]C[5]O)(F)2{1|C<3>,1|S<2>}	F(C[5]C[5]2F)	F(C[5]C[5]2F)	105.3470	0.000	1	105.1620	0.068	2	105.4552	0.567	15	105.1317	0.791	20	106.0439	1.779	369	106.0408	1.749	378
474	830	830	0:SP3_SP-NON_SP-NON	C[5]	F	F	4:3:1:1:	4:	4:	C[5]-4:C[5]-3:F-1:F-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(F)2	F(C[5]C[5]2F)	F(C[5]C[5]2F)	C[5](C[5]C[5]HH)(C[5]C[5]O)(F)2{1|H<1>,2|C<3>}	F(C[5]C[5]2F)	F(C[5]C[5]2F)	104.9770	0.000	1	105.1620	0.068	2	105.4552	0.567	15	105.1317	0.791	20	106.0439	1.779	369	106.0408	1.749	378
474	830	830	0:SP3_SP-NON_SP-NON	C[5]	F	F	4:4:1:1:	4:	4:	B[5,5]-4:N[5]-4:F-1:F-1:	C[5]-4:	C[5]-4:	C[5](B[5,5]C[5,6a]O[5]2)(N[5]C[5,6a]CC)(F)2	F(C[5]B[5,5]N[5]F)	F(C[5]B[5,5]N[5]F)	C[5](B[5,5]C[5,6a]O[5]2)(N[5]C[5,6a]CC)(F)2{2|C<3>,2|C<4>}	F(C[5]B[5,5]N[5]F)	F(C[5]B[5,5]N[5]F)	104.6230	0.000	1	104.6230	0.000	1	104.6230	0.000	1	106.6929	2.476	134	106.0439	1.779	369	106.0408	1.749	378
474	830	830	0:SP3_SP-NON_SP-NON	C[5]	F	F	4:4:1:1:	4:	4:	C[3,5]-4:C[5]-4:F-1:F-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]N[3,5]C[3]F)(C[5]C[5]FF)(F)2	F(C[5]C[3,5]C[5]F)	F(C[5]C[3,5]C[5]F)	C[5](C[3,5]N[3,5]C[3]F)(C[5]C[5]FF)(F)2{2|C<3>,2|C<4>}	F(C[5]C[3,5]C[5]F)	F(C[5]C[3,5]C[5]F)	105.6130	0.000	1	105.6130	0.000	1	105.6130	0.000	1	106.6929	2.476	134	106.0439	1.779	369	106.0408	1.749	378
474	830	830	0:SP3_SP-NON_SP-NON	C[5]	F	F	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:F-1:F-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]2H)(C[5]C[6a]C[5]O)(F)2	F(C[5]C[5,5]C[5]F)	F(C[5]C[5,5]C[5]F)	C[5](C[5,5]C[5,5]2H)(C[5]C[6a]C[5]O)(F)2{2|C<4>,3|C<3>,4|H<1>}	F(C[5]C[5,5]C[5]F)	F(C[5]C[5,5]C[5]F)	105.2950	0.000	1	105.2950	0.000	1	105.7885	0.487	2	106.6929	2.476	134	106.0439	1.779	369	106.0408	1.749	378
474	830	830	0:SP3_SP-NON_SP-NON	C[5]	F	F	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:F-1:F-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]N[5]O)(F)2	F(C[5]C[5,5]C[5]F)	F(C[5]C[5,5]C[5]F)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]N[5]O)(F)2{1|C<4>,1|H<1>,1|O<1>,1|S<4>,4|C<3>}	F(C[5]C[5,5]C[5]F)	F(C[5]C[5,5]C[5]F)	106.2820	0.000	1	106.2820	0.000	1	105.7885	0.487	2	106.6929	2.476	134	106.0439	1.779	369	106.0408	1.749	378
474	830	830	0:SP3_SP-NON_SP-NON	C[5]	F	F	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5,5]-4:F-1:F-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,5]C[5,5,6,6]O[5]C)(F)2	F(C[5]C[5,6,6]C[5,5]F)	F(C[5]C[5,6,6]C[5,5]F)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,5]C[5,5,6,6]O[5]C)(F)2{4|C<4>,4|H<1>}	F(C[5]C[5,6,6]C[5,5]F)	F(C[5]C[5,6,6]C[5,5]F)	103.6750	0.000	1	103.6750	0.000	1	103.6750	0.000	1	106.6929	2.476	134	106.0439	1.779	369	106.0408	1.749	378
474	830	830	0:SP3_SP-NON_SP-NON	C[5]	F	F	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:F-1:F-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]FF)2(F)2	F(C[5]C[5]2F)	F(C[5]C[5]2F)	C[5](C[5]C[5,6]FF)2(F)2{1|C<3>,1|C<4>}	F(C[5]C[5]2F)	F(C[5]C[5]2F)	107.3920	0.000	1	107.1451	0.969	11	106.7548	2.438	129	106.6929	2.476	134	106.0439	1.779	369	106.0408	1.749	378
474	830	830	0:SP3_SP-NON_SP-NON	C[5]	F	F	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:F-1:F-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]FF)2(F)2	F(C[5]C[5]2F)	F(C[5]C[5]2F)	C[5](C[5]C[5,6]FF)2(F)2{2|C<3>}	F(C[5]C[5]2F)	F(C[5]C[5]2F)	107.1204	1.034	10	107.1451	0.969	11	106.7548	2.438	129	106.6929	2.476	134	106.0439	1.779	369	106.0408	1.749	378
474	830	830	0:SP3_SP-NON_SP-NON	C[5]	F	F	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:F-1:F-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]FF)2(F)2	F(C[5]C[5]2F)	F(C[5]C[5]2F)	C[5](C[5]C[5,6a]FF)2(F)2{2|C<3>}	F(C[5]C[5]2F)	F(C[5]C[5]2F)	107.4768	0.800	4	107.4768	0.640	4	106.7548	2.438	129	106.6929	2.476	134	106.0439	1.779	369	106.0408	1.749	378
474	830	830	0:SP3_SP-NON_SP-NON	C[5]	F	F	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:F-1:F-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]2O[5])(C[5]C[5]FF)(F)2	F(C[5]C[5]2F)	F(C[5]C[5]2F)	C[5](C[5]C[5]2O[5])(C[5]C[5]FF)(F)2{2|Fe<10>,1|H<1>,5|C<4>}	F(C[5]C[5]2F)	F(C[5]C[5]2F)	106.1510	0.000	1	106.1510	0.000	1	106.7548	2.438	129	106.6929	2.476	134	106.0439	1.779	369	106.0408	1.749	378
474	830	830	0:SP3_SP-NON_SP-NON	C[5]	F	F	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:F-1:F-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HO)(F)2	F(C[5]C[5]2F)	F(C[5]C[5]2F)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(F)2{2|H<1>}	F(C[5]C[5]2F)	F(C[5]C[5]2F)	105.4600	0.000	1	105.4600	0.000	1	106.7548	2.438	129	106.6929	2.476	134	106.0439	1.779	369	106.0408	1.749	378
474	830	830	0:SP3_SP-NON_SP-NON	C[5]	F	F	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:F-1:F-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]FF)(C[5]N[5]HH)(F)2	F(C[5]C[5]2F)	F(C[5]C[5]2F)	C[5](C[5]C[5]FF)(C[5]N[5]HH)(F)2{1|C<3>,2|H<1>}	F(C[5]C[5]2F)	F(C[5]C[5]2F)	105.2110	1.217	4	105.2110	1.481	4	106.7548	2.438	129	106.6929	2.476	134	106.0439	1.779	369	106.0408	1.749	378
474	830	830	0:SP3_SP-NON_SP-NON	C[5]	F	F	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:F-1:F-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]FF)2(F)2	F(C[5]C[5]2F)	F(C[5]C[5]2F)	C[5](C[5]C[5]FF)2(F)2{2|C<3>}	F(C[5]C[5]2F)	F(C[5]C[5]2F)	107.1621	1.561	84	107.1539	2.384	86	106.7548	2.438	129	106.6929	2.476	134	106.0439	1.779	369	106.0408	1.749	378
474	830	830	0:SP3_SP-NON_SP-NON	C[5]	F	F	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:F-1:F-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]FF)2(F)2	F(C[5]C[5]2F)	F(C[5]C[5]2F)	C[5](C[5]C[5]FF)2(F)2{2|O<2>}	F(C[5]C[5]2F)	F(C[5]C[5]2F)	106.8120	0.000	2	107.1539	2.384	86	106.7548	2.438	129	106.6929	2.476	134	106.0439	1.779	369	106.0408	1.749	378
474	830	830	0:SP3_SP-NON_SP-NON	C[5]	F	F	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:F-1:F-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(F)2	F(C[5]C[5]2F)	F(C[5]C[5]2F)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(F)2{1|C<3>,1|C<4>,1|H<1>}	F(C[5]C[5]2F)	F(C[5]C[5]2F)	106.0055	0.037	2	106.0055	0.001	2	106.7548	2.438	129	106.6929	2.476	134	106.0439	1.779	369	106.0408	1.749	378
474	830	830	0:SP3_SP-NON_SP-NON	C[5]	F	F	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:F-1:F-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(F)2	F(C[5]C[5]2F)	F(C[5]C[5]2F)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(F)2{1|C<4>,2|H<1>}	F(C[5]C[5]2F)	F(C[5]C[5]2F)	104.9040	0.725	2	104.9040	0.526	2	106.7548	2.438	129	106.6929	2.476	134	106.0439	1.779	369	106.0408	1.749	378
474	830	830	0:SP3_SP-NON_SP-NON	C[5]	F	F	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:F-1:F-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]S[5]CH)(F)2	F(C[5]C[5]2F)	F(C[5]C[5]2F)	C[5](C[5]C[5]HN)(C[5]S[5]CH)(F)2{2|H<1>}	F(C[5]C[5]2F)	F(C[5]C[5]2F)	105.4770	0.000	1	105.4770	0.000	1	106.7548	2.438	129	106.6929	2.476	134	106.0439	1.779	369	106.0408	1.749	378
474	830	830	0:SP3_SP-NON_SP-NON	C[5]	F	F	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:F-1:F-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]S[5]CH)(F)2	F(C[5]C[5]2F)	F(C[5]C[5]2F)	C[5](C[5]C[5]HO)(C[5]S[5]CH)(F)2{2|H<1>}	F(C[5]C[5]2F)	F(C[5]C[5]2F)	105.4440	0.000	1	105.4440	0.000	1	106.7548	2.438	129	106.6929	2.476	134	106.0439	1.779	369	106.0408	1.749	378
474	830	830	0:SP3_SP-NON_SP-NON	C[5]	F	F	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:F-1:F-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]O[5]C)(C[5]C[5]FF)(F)2	F(C[5]C[5]2F)	F(C[5]C[5]2F)	C[5](C[5]C[5]O[5]C)(C[5]C[5]FF)(F)2{1|Fe<10>,1|H<1>,3|C<4>}	F(C[5]C[5]2F)	F(C[5]C[5]2F)	104.1050	0.000	1	104.1050	0.000	1	106.7548	2.438	129	106.6929	2.476	134	106.0439	1.779	369	106.0408	1.749	378
474	830	830	0:SP3_SP-NON_SP-NON	C[5]	F	F	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:F-1:F-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]FF)(F)2	F(C[5]C[5]2F)	F(C[5]C[5]2F)	C[5](C[5]C[5]O[5]H)(C[5]C[5]FF)(F)2{1|Fe<10>,4|C<4>}	F(C[5]C[5]2F)	F(C[5]C[5]2F)	105.9915	0.046	2	105.9915	0.002	2	106.7548	2.438	129	106.6929	2.476	134	106.0439	1.779	369	106.0408	1.749	378
474	830	830	0:SP3_SP-NON_SP-NON	C[5]	F	F	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:F-1:F-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]N[5]C)(F)2	F(C[5]C[5]2F)	F(C[5]C[5]2F)	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]N[5]C)(F)2{1|S<4>,5|C<3>}	F(C[5]C[5]2F)	F(C[5]C[5]2F)	105.0950	0.000	1	105.0950	0.000	1	106.7548	2.438	129	106.6929	2.476	134	106.0439	1.779	369	106.0408	1.749	378
474	830	830	0:SP3_SP-NON_SP-NON	C[5]	F	F	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:F-1:F-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[3,5]C[6a]C)(C[5]C[3,5]FF)(F)2	F(C[5]C[5]2F)	F(C[5]C[5]2F)	C[5](C[5]N[3,5]C[6a]C)(C[5]C[3,5]FF)(F)2{1|C<4>,1|F<1>,2|C<3>}	F(C[5]C[5]2F)	F(C[5]C[5]2F)	105.9260	0.000	1	105.9260	0.000	1	106.7548	2.438	129	106.6929	2.476	134	106.0439	1.779	369	106.0408	1.749	378
474	830	830	0:SP3_SP-NON_SP-NON	C[5]	F	F	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:F-1:F-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]SiH)(C[5]C[5]CH)(F)2	F(C[5]C[5]2F)	F(C[5]C[5]2F)	C[5](C[5]N[5]SiH)(C[5]C[5]CH)(F)2{1|C<3>,2|H<1>}	F(C[5]C[5]2F)	F(C[5]C[5]2F)	103.3180	0.000	1	103.3180	0.000	1	106.7548	2.438	129	106.6929	2.476	134	106.0439	1.779	369	106.0408	1.749	378
474	830	830	0:SP3_SP-NON_SP-NON	C[5]	F	F	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:F-1:F-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)(F)2	F(C[5]C[5]2F)	F(C[5]C[5]2F)	C[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)(F)2{2|C<3>,2|H<1>,2|O<2>}	F(C[5]C[5]2F)	F(C[5]C[5]2F)	105.3630	0.385	2	105.3630	0.148	2	106.7548	2.438	129	106.6929	2.476	134	106.0439	1.779	369	106.0408	1.749	378
474	830	830	0:SP3_SP-NON_SP-NON	C[5]	F	F	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:F-1:F-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[6]O[5]H)(C[5]C[5]CC)(F)2	F(C[5]C[5]2F)	F(C[5]C[5]2F)	C[5](C[5]N[6]O[5]H)(C[5]C[5]CC)(F)2{1|C<4>,1|H<1>,2|C<3>}	F(C[5]C[5]2F)	F(C[5]C[5]2F)	106.2310	0.000	1	106.2310	0.000	1	106.7548	2.438	129	106.6929	2.476	134	106.0439	1.779	369	106.0408	1.749	378
474	830	830	0:SP3_SP-NON_SP-NON	C[5]	F	F	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:F-1:F-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[6]O[5]H)(C[5]C[5]HO)(F)2	F(C[5]C[5]2F)	F(C[5]C[5]2F)	C[5](C[5]N[6]O[5]H)(C[5]C[5]HO)(F)2{1|C<4>,1|H<1>,2|C<3>}	F(C[5]C[5]2F)	F(C[5]C[5]2F)	104.5380	0.000	1	104.5380	0.000	1	106.7548	2.438	129	106.6929	2.476	134	106.0439	1.779	369	106.0408	1.749	378
474	830	830	0:SP3_SP-NON_SP-NON	C[5]	F	F	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:F-1:F-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)(F)2	F(C[5]C[5]2F)	F(C[5]C[5]2F)	C[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)(F)2{2|C<3>,2|H<1>,2|O<2>}	F(C[5]C[5]2F)	F(C[5]C[5]2F)	105.0150	0.000	1	104.3010	1.020	2	106.7548	2.438	129	106.6929	2.476	134	106.0439	1.779	369	106.0408	1.749	378
474	830	830	0:SP3_SP-NON_SP-NON	C[5]	F	F	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:F-1:F-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)(F)2	F(C[5]C[5]2F)	F(C[5]C[5]2F)	C[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)(F)2{2|C<3>,4|H<1>}	F(C[5]C[5]2F)	F(C[5]C[5]2F)	103.5870	0.000	1	104.3010	1.020	2	106.7548	2.438	129	106.6929	2.476	134	106.0439	1.779	369	106.0408	1.749	378
474	830	830	0:SP3_SP-NON_SP-NON	C[5]	F	F	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:F-1:F-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[6a]S[5]C)(C[5]C[5]HH)(F)2	F(C[5]C[5]2F)	F(C[5]C[5]2F)	C[5](C[5]N[6a]S[5]C)(C[5]C[5]HH)(F)2{2|C<3>,2|H<1>}	F(C[5]C[5]2F)	F(C[5]C[5]2F)	105.3510	0.000	1	105.3510	0.000	1	106.7548	2.438	129	106.6929	2.476	134	106.0439	1.779	369	106.0408	1.749	378
474	830	830	0:SP3_SP-NON_SP-NON	C[5]	F	F	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:F-1:F-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[6a]S[5]H)(C[5]C[5]CH)(F)2	F(C[5]C[5]2F)	F(C[5]C[5]2F)	C[5](C[5]N[6a]S[5]H)(C[5]C[5]CH)(F)2{2|C<3>,2|H<1>}	F(C[5]C[5]2F)	F(C[5]C[5]2F)	105.7310	0.000	2	105.7310	0.000	2	106.7548	2.438	129	106.6929	2.476	134	106.0439	1.779	369	106.0408	1.749	378
474	830	830	0:SP3_SP-NON_SP-NON	C[5]	F	F	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:F-1:F-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[6a]S[5]H)(C[5]C[5]HO)(F)2	F(C[5]C[5]2F)	F(C[5]C[5]2F)	C[5](C[5]N[6a]S[5]H)(C[5]C[5]HO)(F)2{2|C<3>,2|H<1>}	F(C[5]C[5]2F)	F(C[5]C[5]2F)	105.0950	0.000	1	105.0950	0.000	1	106.7548	2.438	129	106.6929	2.476	134	106.0439	1.779	369	106.0408	1.749	378
474	830	909	0:SP3_SP-NON_SP2	C[5]	F	S	4:3:2:1:	4:	3:4:	C[5]-4:C[5]-3:S-2:F-1:	C[5]-4:	C[6a]-3:C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]O)(SC[6a])(F)	F(C[5]C[5]2S)	S(C[6a]C[6a]2)(C[5]C[5]2F)	C[5](C[5]C[5]HH)(C[5]O[5]O)(SC[6a])(F){1|C<3>,1|H<1>}	F(C[5]C[5]2S)	S(C[6a]C[6a]2)(C[5]C[5]2F)	110.8410	0.000	1	110.8410	0.000	1	110.8410	0.000	1	110.8410	0.000	1	110.8410	0.000	1	110.8410	0.000	1
474	830	924	0:SP3_SP-NON_SP-NON	C[5]	F	Br	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:Br-1:F-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(Br)(F)	F(C[5]C[5]2Br)	Br(C[5]C[5]2F)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(Br)(F){1|C<4>,1|H<1>,2|C<3>}	F(C[5]C[5]2Br)	Br(C[5]C[5]2F)	108.3060	0.204	2	108.3060	0.041	2	108.3060	0.041	2	108.3060	0.041	2	108.3060	0.041	2	108.3060	0.041	2
474	830	930	0:SP3_SP-NON_SP2	C[5]	F	C	3:4:3:1:	4:	4:2:1:	C[5]-3:C[5]-4:C-3:F-1:	C[5]-4:	C[5]-4:O-2:O-1:	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(COO)(F)	F(C[5]C[5]2C)	C(C[5]C[5]2F)(OC)(O)	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(COO)(F){1|C<4>,4|C<3>}	F(C[5]C[5]2C)	C(C[5]C[5]2F)(OC)(O)	108.4780	0.651	2	108.4780	0.423	2	108.4780	0.423	2	108.4780	0.423	2	108.2572	2.306	5	108.2572	2.306	5
474	830	930	0:SP3_SP-NON_SP2	C[5]	F	C	4:3:3:1:	4:	4:2:1:	C[5]-4:C[5]-3:C-3:F-1:	C[5]-4:	C[5]-4:O-2:O-1:	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(COO)(F)	F(C[5]C[5]2C)	C(C[5]C[5]2F)(OC)(O)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(COO)(F){4|C<3>}	F(C[5]C[5]2C)	C(C[5]C[5]2F)(OC)(O)	106.8360	0.000	1	106.8360	0.000	1	106.9110	0.011	2	106.9110	0.011	2	108.2572	2.306	5	108.2572	2.306	5
474	830	930	0:SP3_SP-NON_SP2	C[5]	F	C	4:3:3:1:	4:	4:2:1:	C[5]-4:C[5]-3:C-3:F-1:	C[5]-4:	C[5]-4:O-2:O-1:	C[5](C[5]C[5]HH)(C[5]N[5]O)(COO)(F)	F(C[5]C[5]2C)	C(C[5]C[5]2F)(OC)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(COO)(F){3|H<1>}	F(C[5]C[5]2C)	C(C[5]C[5]2F)(OC)(O)	106.9860	0.000	1	106.9860	0.000	1	106.9110	0.011	2	106.9110	0.011	2	108.2572	2.306	5	108.2572	2.306	5
474	830	930	0:SP3_SP-NON_SP2	C[5]	F	C	4:4:3:1:	4:	4:2:1:	C[5]-4:S[5]-4:C-3:F-1:	C[5]-4:	C[5]-4:O-2:O-1:	C[5](C[5]C[6a]C[5]H)(S[5]C[5]OO)(COO)(F)	F(C[5]C[5]S[5]C)	C(C[5]C[5]S[5]F)(OC)(O)	C[5](C[5]C[6a]C[5]H)(S[5]C[5]OO)(COO)(F){2|C<3>,4|H<1>}	F(C[5]C[5]S[5]C)	C(C[5]C[5]S[5]F)(OC)(O)	110.5080	0.000	1	110.5080	0.000	1	110.5080	0.000	1	110.5080	0.000	1	108.2572	2.306	5	108.2572	2.306	5
474	830	951	0:SP3_SP-NON_SP-NON	C[5,5]	F	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,5,6]-4:F-1:H-1:	C[5,5]-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[3x5,6,6]C[5,6]H)2(F)(H)	F(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2F)	C[5,5](C[5,5,6]C[3x5,6,6]C[5,6]H)2(F)(H){2|C<3>,2|C<4>,4|H<1>}	F(C[5,5]C[5,5,6]2H)	H(C[5,5]C[5,5,6]2F)	109.1523	1.604	4	109.1523	2.571	4	109.1523	2.571	4	109.1523	2.571	4	109.1523	2.571	4	111.0568	3.158	82
474	830	951	0:SP3_SP-NON_SP-NON	C[5]	F	H	3:3:1:1:	4:	4:	N[5]-3:N[5]-3:F-1:H-1:	C[5]-4:	C[5]-4:	C[5](N[5]C[6a]C[5])2(F)(H)	F(C[5]N[5]2H)	H(C[5]N[5]2F)	C[5](N[5]C[6a]C[5])2(F)(H){2|O<1>,4|C<3>}	F(C[5]N[5]2H)	H(C[5]N[5]2F)	111.7530	0.000	1	111.7530	0.000	1	111.7530	0.000	1	111.7530	0.000	1	111.1545	3.024	78	111.0568	3.158	82
474	830	951	0:SP3_SP-NON_SP-NON	C[5]	F	H	3:4:1:1:	4:	4:	C[5,5]-3:C[5]-4:F-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(F)(H)	F(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]F)	C[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(F)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	F(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]F)	111.4960	0.081	2	111.8075	0.132	4	111.8075	0.132	4	111.8302	0.101	5	111.1545	3.024	78	111.0568	3.158	82
474	830	951	0:SP3_SP-NON_SP-NON	C[5]	F	H	3:4:1:1:	4:	4:	C[5,5]-3:C[5]-4:F-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(F)(H)	F(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]F)	C[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(F)(H){1|C<3>,1|N<3>,2|H<1>}	F(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]F)	112.1190	0.007	2	111.8075	0.132	4	111.8075	0.132	4	111.8302	0.101	5	111.1545	3.024	78	111.0568	3.158	82
474	830	951	0:SP3_SP-NON_SP-NON	C[5]	F	H	3:4:1:1:	4:	4:	C[5,6a]-3:S[5]-4:F-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(S[5]C[5]OO)(F)(H)	F(C[5]C[5,6a]S[5]H)	H(C[5]C[5,6a]S[5]F)	C[5](C[5,6a]C[5,6a]C[6a])(S[5]C[5]OO)(F)(H){2|C<3>,3|H<1>}	F(C[5]C[5,6a]S[5]H)	H(C[5]C[5,6a]S[5]F)	111.9210	0.000	1	111.9210	0.000	1	111.9210	0.000	1	111.8302	0.101	5	111.1545	3.024	78	111.0568	3.158	82
474	830	951	0:SP3_SP-NON_SP-NON	C[5]	F	H	4:2:1:1:	4:	4:	C[5]-4:O[5]-2:F-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(O[5]N[5])(F)(H)	F(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]F)	C[5](C[5]C[6a]C[5]H)(O[5]N[5])(F)(H){1|O<1>,3|C<3>}	F(C[5]C[5]O[5]H)	H(C[5]C[5]O[5]F)	108.6550	2.311	2	108.6550	5.340	2	108.6550	5.340	2	108.6550	5.340	2	111.1545	3.024	78	111.0568	3.158	82
474	830	951	0:SP3_SP-NON_SP-NON	C[5]	F	H	4:4:1:1:	4:	4:	C[3,5]-4:C[5]-4:F-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(F)(H)	F(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]F)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(F)(H){1|N<4>,2|C<3>,2|H<1>}	F(C[5]C[3,5]C[5]H)	H(C[5]C[3,5]C[5]F)	109.6730	0.000	1	109.6730	0.000	1	109.6730	0.000	1	111.1691	3.072	70	111.1545	3.024	78	111.0568	3.158	82
474	830	951	0:SP3_SP-NON_SP-NON	C[5]	F	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:F-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]O)(C[5]N[6a]O[5]H)(F)(H)	F(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]F)	C[5](C[5,5]C[5,5]C[5]O)(C[5]N[6a]O[5]H)(F)(H){2|C<3>,2|C<4>,3|H<1>}	F(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]F)	112.8120	0.000	1	112.8120	0.000	1	112.8120	0.000	1	111.1691	3.072	70	111.1545	3.024	78	111.0568	3.158	82
474	830	951	0:SP3_SP-NON_SP-NON	C[5]	F	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5,5]-4:F-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,5]C[5,5,6,6]O[5]O)(F)(H)	F(C[5]C[5,6,6]C[5,5]H)	H(C[5]C[5,6,6]C[5,5]F)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,5]C[5,5,6,6]O[5]O)(F)(H){4|C<4>,4|H<1>}	F(C[5]C[5,6,6]C[5,5]H)	H(C[5]C[5,6,6]C[5,5]F)	108.6260	0.000	1	108.6260	0.000	1	108.6260	0.000	1	111.1691	3.072	70	111.1545	3.024	78	111.0568	3.158	82
474	830	951	0:SP3_SP-NON_SP-NON	C[5]	F	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:F-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(F)(H)	F(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]F)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(F)(H){1|C<3>,2|H<1>,4|C<4>}	F(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]F)	109.9518	0.525	4	109.9518	0.275	4	110.1164	0.342	5	111.1691	3.072	70	111.1545	3.024	78	111.0568	3.158	82
474	830	951	0:SP3_SP-NON_SP-NON	C[5]	F	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:F-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(F)(H)	F(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]F)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(F)(H){1|S<4>,2|C<4>,3|H<1>}	F(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]F)	110.7750	0.000	1	110.7750	0.000	1	110.1164	0.342	5	111.1691	3.072	70	111.1545	3.024	78	111.0568	3.158	82
474	830	951	0:SP3_SP-NON_SP-NON	C[5]	F	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(F)(H)	F(C[5]C[5]2H)	H(C[5]C[5]2F)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(F)(H){1|N<2>,1|O<2>,2|H<1>}	F(C[5]C[5]2H)	H(C[5]C[5]2F)	111.8775	0.251	2	111.8775	0.063	2	111.2926	3.159	62	111.1691	3.072	70	111.1545	3.024	78	111.0568	3.158	82
474	830	951	0:SP3_SP-NON_SP-NON	C[5]	F	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(F)(H)	F(C[5]C[5]2H)	H(C[5]C[5]2F)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(F)(H){1|C<4>,1|H<1>,2|O<2>}	F(C[5]C[5]2H)	H(C[5]C[5]2F)	111.6660	0.000	1	111.6660	0.000	1	111.2926	3.159	62	111.1691	3.072	70	111.1545	3.024	78	111.0568	3.158	82
474	830	951	0:SP3_SP-NON_SP-NON	C[5]	F	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(F)(H)	F(C[5]C[5]2H)	H(C[5]C[5]2F)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(F)(H){2|C<3>}	F(C[5]C[5]2H)	H(C[5]C[5]2F)	110.9630	0.000	1	110.9630	0.000	1	111.2926	3.159	62	111.1691	3.072	70	111.1545	3.024	78	111.0568	3.158	82
474	830	951	0:SP3_SP-NON_SP-NON	C[5]	F	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6a]N[5a]H)(C[5]C[5,6a]HH)(F)(H)	F(C[5]C[5]2H)	H(C[5]C[5]2F)	C[5](C[5]C[5,6a]N[5a]H)(C[5]C[5,6a]HH)(F)(H){1|N<2>,3|C<3>}	F(C[5]C[5]2H)	H(C[5]C[5]2F)	109.2070	0.000	1	109.2070	0.000	1	111.2926	3.159	62	111.1691	3.072	70	111.1545	3.024	78	111.0568	3.158	82
474	830	951	0:SP3_SP-NON_SP-NON	C[5]	F	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]FH)(C[5]C[5]HH)(F)(H)	F(C[5]C[5]2H)	H(C[5]C[5]2F)	C[5](C[5]C[5]FH)(C[5]C[5]HH)(F)(H){2|F<1>,2|H<1>}	F(C[5]C[5]2H)	H(C[5]C[5]2F)	110.4125	1.531	2	110.4125	2.344	2	111.2926	3.159	62	111.1691	3.072	70	111.1545	3.024	78	111.0568	3.158	82
474	830	951	0:SP3_SP-NON_SP-NON	C[5]	F	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]FH)(C[5]N[5]CH)(F)(H)	F(C[5]C[5]2H)	H(C[5]C[5]2F)	C[5](C[5]C[5]FH)(C[5]N[5]CH)(F)(H){1|C<3>,2|H<1>}	F(C[5]C[5]2H)	H(C[5]C[5]2F)	112.0805	0.341	4	112.0805	0.116	4	111.2926	3.159	62	111.1691	3.072	70	111.1545	3.024	78	111.0568	3.158	82
474	830	951	0:SP3_SP-NON_SP-NON	C[5]	F	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]FH)(C[5]N[5]HH)(F)(H)	F(C[5]C[5]2H)	H(C[5]C[5]2F)	C[5](C[5]C[5]FH)(C[5]N[5]HH)(F)(H){1|H<1>,2|C<3>}	F(C[5]C[5]2H)	H(C[5]C[5]2F)	110.9425	1.345	4	110.9425	1.809	4	111.2926	3.159	62	111.1691	3.072	70	111.1545	3.024	78	111.0568	3.158	82
474	830	951	0:SP3_SP-NON_SP-NON	C[5]	F	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]FH)(C[5]O[5]CH)(F)(H)	F(C[5]C[5]2H)	H(C[5]C[5]2F)	C[5](C[5]C[5]FH)(C[5]O[5]CH)(F)(H){1|H<1>,1|N<3>}	F(C[5]C[5]2H)	H(C[5]C[5]2F)	111.0890	0.947	3	111.0890	0.897	3	111.2926	3.159	62	111.1691	3.072	70	111.1545	3.024	78	111.0568	3.158	82
474	830	951	0:SP3_SP-NON_SP-NON	C[5]	F	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]FH)2(F)(H)	F(C[5]C[5]2H)	H(C[5]C[5]2F)	C[5](C[5]C[5]FH)2(F)(H){1|F<1>,3|H<1>}	F(C[5]C[5]2H)	H(C[5]C[5]2F)	110.5630	2.236	2	110.5630	4.999	2	111.2926	3.159	62	111.1691	3.072	70	111.1545	3.024	78	111.0568	3.158	82
474	830	951	0:SP3_SP-NON_SP-NON	C[5]	F	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(F)(H)	F(C[5]C[5]2H)	H(C[5]C[5]2F)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(F)(H){1|C<3>,1|H<1>,1|S<4>}	F(C[5]C[5]2H)	H(C[5]C[5]2F)	111.7885	0.405	2	111.6159	5.706	11	111.2926	3.159	62	111.1691	3.072	70	111.1545	3.024	78	111.0568	3.158	82
474	830	951	0:SP3_SP-NON_SP-NON	C[5]	F	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(F)(H)	F(C[5]C[5]2H)	H(C[5]C[5]2F)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(F)(H){1|C<3>,3|H<1>}	F(C[5]C[5]2H)	H(C[5]C[5]2F)	107.2170	0.000	1	111.6159	5.706	11	111.2926	3.159	62	111.1691	3.072	70	111.1545	3.024	78	111.0568	3.158	82
474	830	951	0:SP3_SP-NON_SP-NON	C[5]	F	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(F)(H)	F(C[5]C[5]2H)	H(C[5]C[5]2F)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(F)(H){1|C<4>,1|H<1>,1|S<4>}	F(C[5]C[5]2H)	H(C[5]C[5]2F)	110.4820	0.000	1	111.6159	5.706	11	111.2926	3.159	62	111.1691	3.072	70	111.1545	3.024	78	111.0568	3.158	82
474	830	951	0:SP3_SP-NON_SP-NON	C[5]	F	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(F)(H)	F(C[5]C[5]2H)	H(C[5]C[5]2F)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(F)(H){2|C<4>,2|H<1>}	F(C[5]C[5]2H)	H(C[5]C[5]2F)	111.0640	0.501	3	111.6159	5.706	11	111.2926	3.159	62	111.1691	3.072	70	111.1545	3.024	78	111.0568	3.158	82
474	830	951	0:SP3_SP-NON_SP-NON	C[5]	F	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(F)(H)	F(C[5]C[5]2H)	H(C[5]C[5]2F)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(F)(H){4|H<1>}	F(C[5]C[5]2H)	H(C[5]C[5]2F)	113.3268	2.773	4	111.6159	5.706	11	111.2926	3.159	62	111.1691	3.072	70	111.1545	3.024	78	111.0568	3.158	82
474	830	951	0:SP3_SP-NON_SP-NON	C[5]	F	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(F)(H)	F(C[5]C[5]2H)	H(C[5]C[5]2F)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(F)(H){1|C<3>,2|H<1>}	F(C[5]C[5]2H)	H(C[5]C[5]2F)	112.0983	0.290	3	111.4398	1.791	4	111.2926	3.159	62	111.1691	3.072	70	111.1545	3.024	78	111.0568	3.158	82
474	830	951	0:SP3_SP-NON_SP-NON	C[5]	F	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(F)(H)	F(C[5]C[5]2H)	H(C[5]C[5]2F)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(F)(H){1|C<4>,2|H<1>}	F(C[5]C[5]2H)	H(C[5]C[5]2F)	109.4640	0.000	1	111.4398	1.791	4	111.2926	3.159	62	111.1691	3.072	70	111.1545	3.024	78	111.0568	3.158	82
474	830	951	0:SP3_SP-NON_SP-NON	C[5]	F	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(F)(H)	F(C[5]C[5]2H)	H(C[5]C[5]2F)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(F)(H){1|H<1>,1|N<3>}	F(C[5]C[5]2H)	H(C[5]C[5]2F)	112.0092	0.571	6	112.0092	0.326	6	111.2926	3.159	62	111.1691	3.072	70	111.1545	3.024	78	111.0568	3.158	82
474	830	951	0:SP3_SP-NON_SP-NON	C[5]	F	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)(F)(H)	F(C[5]C[5]2H)	H(C[5]C[5]2F)	C[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)(F)(H){1|O<1>,2|C<3>}	F(C[5]C[5]2H)	H(C[5]C[5]2F)	111.7900	0.000	1	111.9725	0.067	2	111.2926	3.159	62	111.1691	3.072	70	111.1545	3.024	78	111.0568	3.158	82
474	830	951	0:SP3_SP-NON_SP-NON	C[5]	F	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)(F)(H)	F(C[5]C[5]2H)	H(C[5]C[5]2F)	C[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)(F)(H){2|C<3>,2|H<1>}	F(C[5]C[5]2H)	H(C[5]C[5]2F)	112.1550	0.000	1	111.9725	0.067	2	111.2926	3.159	62	111.1691	3.072	70	111.1545	3.024	78	111.0568	3.158	82
474	830	951	0:SP3_SP-NON_SP-NON	C[5]	F	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(F)(H)	F(C[5]C[5]2H)	H(C[5]C[5]2F)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(F)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	F(C[5]C[5]2H)	H(C[5]C[5]2F)	108.8020	0.000	1	110.9783	4.102	6	111.2926	3.159	62	111.1691	3.072	70	111.1545	3.024	78	111.0568	3.158	82
474	830	951	0:SP3_SP-NON_SP-NON	C[5]	F	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(F)(H)	F(C[5]C[5]2H)	H(C[5]C[5]2F)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(F)(H){1|C<4>,1|H<1>,2|C<3>}	F(C[5]C[5]2H)	H(C[5]C[5]2F)	111.4136	1.925	5	110.9783	4.102	6	111.2926	3.159	62	111.1691	3.072	70	111.1545	3.024	78	111.0568	3.158	82
474	830	951	0:SP3_SP-NON_SP-NON	C[5]	F	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[6]O[5]H)(C[5]C[5]FH)(F)(H)	F(C[5]C[5]2H)	H(C[5]C[5]2F)	C[5](C[5]N[6]O[5]H)(C[5]C[5]FH)(F)(H){1|C<4>,1|H<1>,2|C<3>}	F(C[5]C[5]2H)	H(C[5]C[5]2F)	110.3580	0.000	1	110.3580	0.000	1	111.2926	3.159	62	111.1691	3.072	70	111.1545	3.024	78	111.0568	3.158	82
474	830	951	0:SP3_SP-NON_SP-NON	C[5]	F	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)(F)(H)	F(C[5]C[5]2H)	H(C[5]C[5]2F)	C[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)(F)(H){2|C<3>,2|H<1>,2|O<2>}	F(C[5]C[5]2H)	H(C[5]C[5]2F)	103.2910	0.000	1	103.2910	0.000	1	111.2926	3.159	62	111.1691	3.072	70	111.1545	3.024	78	111.0568	3.158	82
474	830	951	0:SP3_SP-NON_SP-NON	C[5]	F	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]FH)(F)(H)	F(C[5]C[5]2H)	H(C[5]C[5]2F)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]FH)(F)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	F(C[5]C[5]2H)	H(C[5]C[5]2F)	112.2850	0.000	1	112.3010	0.001	2	111.2926	3.159	62	111.1691	3.072	70	111.1545	3.024	78	111.0568	3.158	82
474	830	951	0:SP3_SP-NON_SP-NON	C[5]	F	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]FH)(F)(H)	F(C[5]C[5]2H)	H(C[5]C[5]2F)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]FH)(F)(H){1|C<4>,1|H<1>,2|C<3>}	F(C[5]C[5]2H)	H(C[5]C[5]2F)	112.3170	0.000	1	112.3010	0.001	2	111.2926	3.159	62	111.1691	3.072	70	111.1545	3.024	78	111.0568	3.158	82
474	830	951	0:SP3_SP-NON_SP-NON	C[5]	F	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(F)(H)	F(C[5]C[5]2H)	H(C[5]C[5]2F)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(F)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	F(C[5]C[5]2H)	H(C[5]C[5]2F)	109.0150	0.000	1	111.5097	1.111	9	111.2926	3.159	62	111.1691	3.072	70	111.1545	3.024	78	111.0568	3.158	82
474	830	951	0:SP3_SP-NON_SP-NON	C[5]	F	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(F)(H)	F(C[5]C[5]2H)	H(C[5]C[5]2F)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(F)(H){1|C<4>,1|F<1>,2|C<3>}	F(C[5]C[5]2H)	H(C[5]C[5]2F)	111.3420	0.000	1	111.5097	1.111	9	111.2926	3.159	62	111.1691	3.072	70	111.1545	3.024	78	111.0568	3.158	82
474	830	951	0:SP3_SP-NON_SP-NON	C[5]	F	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(F)(H)	F(C[5]C[5]2H)	H(C[5]C[5]2F)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(F)(H){1|C<4>,1|H<1>,2|C<3>}	F(C[5]C[5]2H)	H(C[5]C[5]2F)	112.2325	0.188	4	111.5097	1.111	9	111.2926	3.159	62	111.1691	3.072	70	111.1545	3.024	78	111.0568	3.158	82
474	830	951	0:SP3_SP-NON_SP-NON	C[5]	F	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(F)(H)	F(C[5]C[5]2H)	H(C[5]C[5]2F)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(F)(H){1|C<4>,1|N<2>,2|C<3>}	F(C[5]C[5]2H)	H(C[5]C[5]2F)	111.1130	0.000	1	111.5097	1.111	9	111.2926	3.159	62	111.1691	3.072	70	111.1545	3.024	78	111.0568	3.158	82
474	830	951	0:SP3_SP-NON_SP-NON	C[5]	F	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(F)(H)	F(C[5]C[5]2H)	H(C[5]C[5]2F)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(F)(H){1|C<4>,1|O<2>,2|C<3>}	F(C[5]C[5]2H)	H(C[5]C[5]2F)	111.5935	0.520	2	111.5097	1.111	9	111.2926	3.159	62	111.1691	3.072	70	111.1545	3.024	78	111.0568	3.158	82
474	830	952	0:SP3_SP-NON_SP3	C[5]	F	S	4:3:4:1:	4:	3:4:1:1:	C[5]-4:C[5]-3:S-4:F-1:	C[5]-4:	C[6a]-3:C[5]-4:O-1:O-1:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]H)(SC[6a]OO)(F)	F(C[5]C[5]2S)	S(C[6a]C[6a]2)(C[5]C[5]2F)(O)2	C[5](C[5]C[6a]C[5]H)(C[5]N[5]H)(SC[6a]OO)(F){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	F(C[5]C[5]2S)	S(C[6a]C[6a]2)(C[5]C[5]2F)(O)2	104.8860	0.000	1	104.8860	0.000	1	104.8860	0.000	1	104.8860	0.000	1	104.8860	0.000	1	104.8860	0.000	1
474	830	956	0:SP3_SP-NON_SP2	C[5]	F	N	4:4:3:1:	4:	4:1:1:	C[5]-4:C[5]-4:N-3:F-1:	C[5]-4:	C[5]-4:O-1:O-1:	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(NOO)(F)	F(C[5]C[5]2N)	N(C[5]C[5]2F)(O)2	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(NOO)(F){2|H<1>,5|C<3>}	F(C[5]C[5]2N)	N(C[5]C[5]2F)(O)2	105.5600	0.000	1	105.5600	0.000	1	105.5600	0.000	1	105.5600	0.000	1	105.5600	0.000	1	105.5600	0.000	1
474	830	959	0:SP3_SP-NON_SP3	C[5]	F	S[5]	3:4:1:1:	4:	4:4:1:1:	C[5,6a]-3:S[5]-4:F-1:H-1:	C[5]-4:	C[5]-4:C[5]-4:O-1:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(S[5]C[5]OO)(F)(H)	F(C[5]C[5,6a]S[5]H)	S[5](C[5]C[5,6a]FH)(C[5]C[5,6a]HH)(O)2	C[5](C[5,6a]C[5,6a]C[6a])(S[5]C[5]OO)(F)(H){2|C<3>,3|H<1>}	F(C[5]C[5,6a]S[5]H)	S[5](C[5]C[5,6a]FH)(C[5]C[5,6a]HH)(O)2{2|C<3>}	107.0600	0.000	1	107.0600	0.000	1	107.0600	0.000	1	107.0600	0.000	1	106.5348	0.256	4	106.5348	0.256	4
474	830	959	0:SP3_SP-NON_SP3	C[5]	F	S[5]	4:4:3:1:	4:	4:4:1:1:	C[5]-4:S[5]-4:C-3:F-1:	C[5]-4:	C[5]-4:C[5]-4:O-1:O-1:	C[5](C[5]C[6a]C[5]H)(S[5]C[5]OO)(COO)(F)	F(C[5]C[5]S[5]C)	S[5](C[5]C[5]CF)(C[5]C[5]HH)(O)2	C[5](C[5]C[6a]C[5]H)(S[5]C[5]OO)(COO)(F){2|C<3>,4|H<1>}	F(C[5]C[5]S[5]C)	S[5](C[5]C[5]CF)(C[5]C[5]HH)(O)2{1|C<3>,3|H<1>}	106.7760	0.000	1	106.7760	0.000	1	106.7760	0.000	1	106.7760	0.000	1	106.5348	0.256	4	106.5348	0.256	4
474	830	959	0:SP3_SP-NON_SP3	C[5]	F	S[5]	4:4:4:1:	4:	3:4:1:1:	S[5]-4:S[5]-4:C-4:F-1:	C[5]-4:	C[5,6a]-3:C[5]-4:O-1:O-1:	C[5](S[5]C[5,6a]OO)2(CC[6a]HO)(F)	F(C[5]S[5]2C)	S[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]CF)(O)2	C[5](S[5]C[5,6a]OO)2(CC[6a]HO)(F){2|C<3>}	F(C[5]S[5]2C)	S[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]CF)(O)2{1|H<1>,2|C<3>,2|O<1>}	106.1515	0.373	2	106.1515	0.139	2	106.1515	0.139	2	106.1515	0.139	2	106.5348	0.256	4	106.5348	0.256	4
474	830	976	0:SP3_SP-NON_SP2	C[5]	F	O[5]	2:2:1:1:	4:	3:4:	O[5]-2:O[5]-2:F-1:F-1:	C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](O[5]C[5,6a])2(F)2	F(C[5]O[5]2F)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]FF)	C[5](O[5]C[5,6a])2(F)2{2|C<3>}	F(C[5]O[5]2F)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]FF){1|H<1>,2|C<3>}	109.9842	0.374	10	109.9684	0.116	12	109.9684	0.116	12	109.9684	0.116	12	109.6155	1.726	13	109.6155	1.726	13
474	830	976	0:SP3_SP-NON_SP2	C[5]	F	O[5]	2:2:1:1:	4:	3:4:	O[5]-2:O[5]-2:F-1:F-1:	C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](O[5]C[5,6a])2(F)2	F(C[5]O[5]2F)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]FF)	C[5](O[5]C[5,6a])2(F)2{2|C<3>}	F(C[5]O[5]2F)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]FF){3|C<3>}	109.8895	0.022	2	109.9684	0.116	12	109.9684	0.116	12	109.9684	0.116	12	109.6155	1.726	13	109.6155	1.726	13
474	830	976	0:SP3_SP-NON_SP2	C[5]	F	O[5]	4:2:4:1:	4:	4:3:	C[5]-4:O[5]-2:C-4:F-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CH3)(F)	F(C[5]C[5]O[5]C)	O[5](C[5]C[5]CF)(C[5]C[5]O)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CH3)(F){1|O<1>,2|C<3>,2|H<1>}	F(C[5]C[5]O[5]C)	O[5](C[5]C[5]CF)(C[5]C[5]O){1|C<3>,3|H<1>}	105.3800	0.000	1	105.3800	0.000	1	105.3800	0.000	1	105.3800	0.000	1	109.6155	1.726	13	109.6155	1.726	13
474	830	976	0:SP3_SP-NON_SP3	C[5]	F	O[5]	3:2:1:1:	4:	4:4:	C[5,6a]-3:O[5]-2:F-1:F-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(F)2	F(C[5]C[5,6a]O[5]F)	O[5](C[5]C[5,6a]FF)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(F)2{2|F<1>,3|C<3>}	F(C[5]C[5,6a]O[5]F)	O[5](C[5]C[5,6a]FF)2{2|C<3>}	108.0237	0.578	4	108.0237	0.335	4	108.0237	0.335	4	108.0237	0.335	4	108.0840	0.434	9	108.0840	0.434	9
474	830	976	0:SP3_SP-NON_SP3	C[5]	F	O[5]	4:2:1:1:	4:	4:3:	C[5]-4:O[5]-2:F-1:H-1:	C[5]-4:	C[5]-4:N[5]-3:	C[5](C[5]C[6a]C[5]H)(O[5]N[5])(F)(H)	F(C[5]C[5]O[5]H)	O[5](C[5]C[5]FH)(N[5]C[5]O)	C[5](C[5]C[6a]C[5]H)(O[5]N[5])(F)(H){1|O<1>,3|C<3>}	F(C[5]C[5]O[5]H)	O[5](C[5]C[5]FH)(N[5]C[5]O){1|H<1>,2|C<3>}	107.8700	1.322	2	107.8700	1.748	2	107.8700	1.748	2	107.8700	1.748	2	108.0840	0.434	9	108.0840	0.434	9
474	830	976	0:SP3_SP-NON_SP3	C[5]	F	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:F-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(F)	F(C[5]C[5]O[5]C)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CF)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(F){1|F<1>,1|N<3>,2|H<1>}	F(C[5]C[5]O[5]C)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CF){1|F<1>,1|O<2>,2|C<3>,2|H<1>}	107.7690	0.000	1	108.3070	0.233	3	108.3070	0.233	3	108.3070	0.233	3	108.0840	0.434	9	108.0840	0.434	9
474	830	976	0:SP3_SP-NON_SP3	C[5]	F	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:F-1:	C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(F)	F(C[5]C[5]O[5]C)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CF)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(F){1|N<3>,1|O<2>,2|H<1>}	F(C[5]C[5]O[5]C)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CF){2|C<3>,2|H<1>,2|O<2>}	108.5760	0.180	2	108.3070	0.233	3	108.3070	0.233	3	108.3070	0.233	3	108.0840	0.434	9	108.0840	0.434	9
474	830	983	0:SP3_SP-NON_SP1	C[5]	F	C	3:3:2:1:	4:	4:1:	C[5,6a]-3:N[5]-3:C-2:F-1:	C[5]-4:	C[5]-4:N-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CN)(F)	F(C[5]C[5,6a]N[5]C)	C(C[5]C[5,6a]N[5]F)(N)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CN)(F){1|H<1>,1|O<1>,4|C<3>}	F(C[5]C[5,6a]N[5]C)	C(C[5]C[5,6a]N[5]F)(N)	104.7790	0.000	1	104.7790	0.000	1	104.7790	0.000	1	104.7790	0.000	1	104.7790	0.000	1	104.7790	0.000	1
474	830	999	0:SP3_SP-NON_SP3	C[5]	F	N[5]	4:4:1:1:	4:	3:4:4:4:	B[5,5]-4:N[5]-4:F-1:F-1:	C[5]-4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5](B[5,5]C[5,6a]O[5]2)(N[5]C[5,6a]CC)(F)2	F(C[5]B[5,5]N[5]F)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]B[5,5]FF)(CH3)2	C[5](B[5,5]C[5,6a]O[5]2)(N[5]C[5,6a]CC)(F)2{2|C<3>,2|C<4>}	F(C[5]B[5,5]N[5]F)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]B[5,5]FF)(CH3)2{1|H<1>,2|C<3>,2|O<2>}	104.8580	1.020	2	104.8580	1.040	2	104.8580	1.040	2	104.8580	1.040	2	104.8580	1.040	2	104.8580	1.040	2
474	838	880	0:SP3_SP-NON_SP3	C[5,5,6]	Ga[5,6]	Si	4:4:3:4:	4:2:1:	4:4:4:4:	C[5,5]-4:Ga[5,6]-4:Ga[5,6]-3:Si-4:	C[5,5,6]-4:I[5,6]-2:I-1:	C[5,5,6]-4:C-4:C-4:C-4:	C[5,5,6](C[5,5]Ga[5,5,6]CC)(Ga[5,6]I[5,6]II)(Ga[5,6]I[5,6]I)(SiC3)	Ga[5,6](C[5,5,6]Ga[5,6]C[5,5]Si)(I[5,6]Ga[5,5,6])(I)	Si(C[5,5,6]Ga[5,6]2C[5,5])(CH3)3	C[5,5,6](C[5,5]Ga[5,5,6]CC)(Ga[5,6]I[5,6]II)(Ga[5,6]I[5,6]I)(SiC3){1|I<1>}	Ga[5,6](C[5,5,6]Ga[5,6]C[5,5]Si)(I[5,6]Ga[5,5,6])(I){1|C<2>,1|C<3>,1|I<2>,3|I<1>}	Si(C[5,5,6]Ga[5,6]2C[5,5])(CH3)3	106.7810	0.000	2	106.7810	0.000	2	106.7810	0.000	2	106.7810	0.000	2	106.7810	0.000	2	106.7810	0.000	2
474	838	885	6:SP3_SP-NON_SP-NON	C[5,5,6]	Ga[5,6]	Ga[5,6]	4:4:3:4:	4:2:1:	4:2:1:1:	C[5,5]-4:Ga[5,6]-4:Ga[5,6]-3:Si-4:	C[5,5,6]-4:I[5,6]-2:I-1:	C[5,5,6]-4:I[5,6]-2:I-1:I-1:	C[5,5,6](C[5,5]Ga[5,5,6]CC)(Ga[5,6]I[5,6]II)(Ga[5,6]I[5,6]I)(SiC3)	Ga[5,6](C[5,5,6]Ga[5,6]C[5,5]Si)(I[5,6]Ga[5,5,6])(I)	Ga[5,6](C[5,5,6]Ga[5,6]C[5,5]Si)(I[5,6]Ga[5,5,6])(I)2	C[5,5,6](C[5,5]Ga[5,5,6]CC)(Ga[5,6]I[5,6]II)(Ga[5,6]I[5,6]I)(SiC3){1|I<1>}	Ga[5,6](C[5,5,6]Ga[5,6]C[5,5]Si)(I[5,6]Ga[5,5,6])(I){1|C<2>,1|C<3>,1|I<2>,3|I<1>}	Ga[5,6](C[5,5,6]Ga[5,6]C[5,5]Si)(I[5,6]Ga[5,5,6])(I)2{1|C<2>,1|C<3>,1|I<2>,2|I<1>}	106.3810	0.000	2	106.3810	0.000	2	106.3810	0.000	2	106.3810	0.000	2	106.3810	0.000	2	106.3810	0.000	2
474	838	951	0:SP3_SP-NON_SP-NON	C[5,5,6]	Ga[5,6]	H	3:4:3:1:	4:3:3:	4:	Ga[5,6]-3:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:Ga[5,6]-3:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](Ga[5,6]Ga[5,6]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	Ga[5,6](C[5,5,6]C[5,5]C[5,6]H)(Ga[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2)	H(C[5,5,6]Ga[5,6]C[5,5]C[5,6])	C[5,5,6](Ga[5,6]Ga[5,6]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){2|H<1>,3|C<3>}	Ga[5,6](C[5,5,6]C[5,5]C[5,6]H)(Ga[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2){4|H<1>,7|C<3>}	H(C[5,5,6]Ga[5,6]C[5,5]C[5,6])	116.3535	0.330	2	116.3535	0.109	2	116.3535	0.109	2	116.3535	0.109	2	116.3535	0.109	2	116.3535	0.109	2
474	846	951	0:SP3_SP-NON_SP2	C[5]	C[4,5]	H	3:4:1:1:	3:3:4:	4:	C[4,5]-3:C[5]-4:H-1:H-1:	C[4,5]-3:C[4]-3:C[5]-4:	C[5]-4:	C[5](C[4,5]C[4,5]C[4])(C[5]C[5]HH)(H)2	C[4,5](C[4,5]C[4]C[5])(C[4]C[6a]C[4])(C[5]C[5]HH)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5]C[4])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>}	C[4,5](C[4,5]C[4]C[5])(C[4]C[6a]C[4])(C[5]C[5]HH){1|O<2>,2|H<1>,4|C<3>}	H(C[5]C[4,5]C[5]H)	111.4380	0.094	4	111.4380	0.009	4	111.4380	0.009	4	111.4380	0.009	4	111.4380	0.009	4	111.4380	0.009	4
474	849	951	0:SP3_SP-NON_SP3	C[5,6,6]	P[6]	H	4:4:4:1:	4:3:3:4:	4:	C[5,5,6]-4:C[5,6,6]-4:P[6]-4:H-1:	C[5,6,6]-4:C[6a]-3:C[6a]-3:C[6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]B[6]H)(P[6]C[6a]2C[6])(H)	P[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6a]C[6a]2)2(C[6]C[6]HH)	H(C[5,6,6]C[5,5,6]C[5,6,6]P[6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]B[6]H)(P[6]C[6a]2C[6])(H){2|C<4>,6|C<3>,7|H<1>}	P[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6a]C[6a]2)2(C[6]C[6]HH){1|B<4>,4|C<3>,4|H<1>,7|C<4>}	H(C[5,6,6]C[5,5,6]C[5,6,6]P[6])	106.9930	0.000	1	106.9930	0.000	1	106.9930	0.000	1	106.9930	0.000	1	106.5102	0.353	4	107.8413	4.494	6
474	849	951	0:SP3_SP-NON_SP3	C[5,6,6]	P[6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[5,6,6]-4:P[6]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6a]-3:O-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(P[6]C[5,6,6]C[6a]O)(H)	P[6](C[5,6,6]C[5,5,6]C[5,6,6]H)2(C[6a]C[6a]2)(O)	H(C[5,6,6]C[5,5,6]C[5,6,6]P[6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(P[6]C[5,6,6]C[6a]O)(H){2|C<3>,3|H<1>,6|C<4>}	P[6](C[5,6,6]C[5,5,6]C[5,6,6]H)2(C[6a]C[6a]2)(O){1|O<2>,2|C<3>,6|C<4>,6|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]P[6])	106.6875	0.250	2	106.6875	0.062	2	106.6875	0.062	2	106.6875	0.062	2	106.5102	0.353	4	107.8413	4.494	6
474	849	951	0:SP3_SP-NON_SP3	C[5,6,6]	P[6]	H	4:4:4:1:	4:4:3:3:	4:	C[5,5,6]-4:C[5,6,6]-4:P[6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6a]-3:C[6a]-3:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]B[6]H)(P[6]C[6a]2C[6])(H)	P[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6a]O[6]H)(C[6a]C[6a]2)2	H(C[5,6,6]C[5,5,6]C[5,6,6]P[6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]B[6]H)(P[6]C[6a]2C[6])(H){1|C<4>,1|O<2>,6|H<1>,7|C<3>}	P[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6a]O[6]H)(C[6a]C[6a]2)2{1|B<4>,2|H<1>,6|C<3>,7|C<4>}	H(C[5,6,6]C[5,5,6]C[5,6,6]P[6])	105.6730	0.000	1	105.6730	0.000	1	105.6730	0.000	1	105.6730	0.000	1	106.5102	0.353	4	107.8413	4.494	6
474	849	951	0:SP3_SP-NON_SP3	C[5,6]	P[6]	H	4:4:3:1:	4:3:3:4:	4:	C[5,6]-4:P[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]B[6]H)(P[6]C[6a]2C[6])(C[5]C[5,6]H)(H)	P[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)2(C[6]C[6]HH)	H(C[5,6]C[5,6]C[5]P[6])	C[5,6](C[5,6]C[5,6]B[6]H)(P[6]C[6a]2C[6])(C[5]C[5,6]H)(H){3|C<4>,3|H<1>,6|C<3>}	P[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)2(C[6]C[6]HH){1|B<4>,4|H<1>,5|C<3>,5|C<4>}	H(C[5,6]C[5,6]C[5]P[6])	110.7780	0.000	1	110.7780	0.000	1	110.7780	0.000	1	110.7780	0.000	1	110.7780	0.000	1	107.8413	4.494	6
474	849	951	0:SP3_SP-NON_SP3	C[5]	P[6]	H	3:4:3:1:	4:2:2:1:	4:	C[5,6a]-3:P[6]-4:C[5]-3:H-1:	C[5]-4:O[6]-2:O[6]-2:O-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(P[6]O[6]2O)(C[5]C[5]C)(H)	P[6](C[5]C[5,6a]C[5]H)(O[6]C[6])2(O)	H(C[5]C[5,6a]C[5]P[6])	C[5](C[5,6a]C[5,6a]C[6a])(P[6]O[6]2O)(C[5]C[5]C)(H){1|H<1>,2|C<3>,3|C<4>}	P[6](C[5]C[5,6a]C[5]H)(O[6]C[6])2(O){1|C<4>,4|C<3>,4|H<1>}	H(C[5]C[5,6a]C[5]P[6])	110.2290	0.000	1	110.2290	0.000	1	110.2290	0.000	1	110.2290	0.000	1	110.2290	0.000	1	107.8413	4.494	6
474	852	880	0:SP3_SP3_SP3	C[5,6]	P[3,5,6]	Si	4:3:4:1:	4:3:4:	4:4:4:4:	C[5,3x6]-4:P[3,5,6]-3:Si-4:H-1:	C[3,6,6]-4:P[3,5,6]-3:C[5,6]-4:	C[5,6]-4:C-4:C-4:C-4:	C[5,6](C[5,3x6]C[6,6,6a]P[5,6,6]C[6])(P[3,5,6]C[3,6,6]P[3,5,6])(SiC3)(H)	P[3,5,6](C[3,6,6]C[6,6,6a]P[3,5,6]Si)(P[3,5,6]C[3,6,6]P[5,6,6])(C[5,6]C[5,3x6]SiH)	Si(C[5,6]C[5,3x6]P[3,5,6]H)(CH3)3	C[5,6](C[5,3x6]C[6,6,6a]P[5,6,6]C[6])(P[3,5,6]C[3,6,6]P[3,5,6])(SiC3)(H){1|Au<2>,1|Si<4>,1|H<1>,4|C<3>}	P[3,5,6](C[3,6,6]C[6,6,6a]P[3,5,6]Si)(P[3,5,6]C[3,6,6]P[5,6,6])(C[5,6]C[5,3x6]SiH){1|Au<2>,4|C<3>}	Si(C[5,6]C[5,3x6]P[3,5,6]H)(CH3)3	106.9940	0.000	1	107.5233	0.971	4	107.5233	0.971	4	107.5233	0.971	4	107.5233	0.971	4	107.5233	0.971	4
474	852	880	0:SP3_SP3_SP3	C[5,6]	P[3,5,6]	Si	4:3:4:1:	4:3:4:	4:4:4:4:	C[5,3x6]-4:P[3,5,6]-3:Si-4:H-1:	C[3,6,6]-4:P[3,5,6]-3:C[5,6]-4:	C[5,6]-4:C-4:C-4:C-4:	C[5,6](C[5,3x6]C[6,6,6a]P[5,6,6]C[6])(P[3,5,6]C[3,6,6]P[3,5,6])(SiC3)(H)	P[3,5,6](C[3,6,6]C[6,6,6a]P[3,5,6]Si)(P[3,5,6]C[3,6,6]P[5,6,6])(C[5,6]C[5,3x6]SiH)	Si(C[5,6]C[5,3x6]P[3,5,6]H)(CH3)3	C[5,6](C[5,3x6]C[6,6,6a]P[5,6,6]C[6])(P[3,5,6]C[3,6,6]P[3,5,6])(SiC3)(H){1|Cu<3>,1|Si<4>,1|H<1>,4|C<3>}	P[3,5,6](C[3,6,6]C[6,6,6a]P[3,5,6]Si)(P[3,5,6]C[3,6,6]P[5,6,6])(C[5,6]C[5,3x6]SiH){1|Cu<3>,4|C<3>}	Si(C[5,6]C[5,3x6]P[3,5,6]H)(CH3)3	108.0340	1.368	2	107.5233	0.971	4	107.5233	0.971	4	107.5233	0.971	4	107.5233	0.971	4	107.5233	0.971	4
474	852	880	0:SP3_SP3_SP3	C[5,6]	P[3,5,6]	Si	4:3:4:1:	4:3:4:	4:4:4:4:	C[5,3x6]-4:P[3,5,6]-3:Si-4:H-1:	C[3,6,6]-4:P[3,5,6]-3:C[5,6]-4:	C[5,6]-4:C-4:C-4:C-4:	C[5,6](C[5,3x6]C[6,6,6a]P[5,6,6]C[6])(P[3,5,6]C[3,6,6]P[3,5,6])(SiC3)(H)	P[3,5,6](C[3,6,6]C[6,6,6a]P[3,5,6]Si)(P[3,5,6]C[3,6,6]P[5,6,6])(C[5,6]C[5,3x6]SiH)	Si(C[5,6]C[5,3x6]P[3,5,6]H)(CH3)3	C[5,6](C[5,3x6]C[6,6,6a]P[5,6,6]C[6])(P[3,5,6]C[3,6,6]P[3,5,6])(SiC3)(H){1|Si<4>,1|H<1>,4|C<3>}	P[3,5,6](C[3,6,6]C[6,6,6a]P[3,5,6]Si)(P[3,5,6]C[3,6,6]P[5,6,6])(C[5,6]C[5,3x6]SiH){4|C<3>}	Si(C[5,6]C[5,3x6]P[3,5,6]H)(CH3)3	107.0310	0.000	1	107.5233	0.971	4	107.5233	0.971	4	107.5233	0.971	4	107.5233	0.971	4	107.5233	0.971	4
474	852	882	5:SP3_SP3_SP3	C[5,5]	P[3,5,5]	P[4,5]	3:3:2:4:	4:4:3:	4:3:3:	P[3,5,5]-3:P[4,5]-3:P[5]-2:C-4:	C[3,5]-4:C[5,5]-4:P[3,5]-3:	C[5,5]-4:P[4,5]-3:C[4]-3:	C[5,5](P[3,5,5]C[3,5]P[3,5])(P[4,5]P[4,5]C[4])(P[5]C[5])(CC3)	P[3,5,5](C[3,5]P[3,5]P[4,5]C)(C[5,5]P[4,5]P[5]C)(P[3,5]C[3,5]C[5])	P[4,5](C[5,5]P[3,5,5]P[5]C)(P[4,5]C[3,5]C[4])(C[4]C[4]C)	C[5,5](P[3,5,5]C[3,5]P[3,5])(P[4,5]P[4,5]C[4])(P[5]C[5])(CC3){1|C<3>,3|C<4>}	P[3,5,5](C[3,5]P[3,5]P[4,5]C)(C[5,5]P[4,5]P[5]C)(P[3,5]C[3,5]C[5]){1|C<4>,2|C<3>}	P[4,5](C[5,5]P[3,5,5]P[5]C)(P[4,5]C[3,5]C[4])(C[4]C[4]C){1|C<3>,1|P<3>,2|C<4>}	107.5830	0.338	2	107.5830	0.114	2	107.5830	0.114	2	107.5830	0.114	2	107.5830	0.114	2	107.5830	0.114	2
474	852	904	6:SP3_SP-NON_SP3	C[5,3x6]	P[3,5,6,6]	P[6,6]	3:4:2:4:	3:4:4:	4:3:	P[3,5,6,6]-3:P[5,6,6]-4:P[6,6]-2:C-4:	P[3,4,5]-3:C[3,4,6,6]-4:C[5,3x6]-4:	C[5,3x6]-4:C[6,6]-3:	C[5,3x6](P[3,5,6,6]C[3,4,6,6]P[3,4,5])(P[5,6,6]C[4,5,6,6]ClO)(P[6,6]C[6,6])(CC3)	P[3,5,6,6](P[3,4,5]C[3,4,6,6]C[4,5,6,6])(C[3,4,6,6]P[3,4,5]P[4,3x6]C)(C[5,3x6]P[5,6,6]P[6,6]C)	P[6,6](C[5,3x6]P[3,5,6,6]P[5,6,6]C)(C[6,6]P[4,3x6]C)	C[5,3x6](P[3,5,6,6]C[3,4,6,6]P[3,4,5])(P[5,6,6]C[4,5,6,6]ClO)(P[6,6]C[6,6])(CC3){1|P<3>,3|C<4>}	P[3,5,6,6](P[3,4,5]C[3,4,6,6]C[4,5,6,6])(C[3,4,6,6]P[3,4,5]P[4,3x6]C)(C[5,3x6]P[5,6,6]P[6,6]C){1|Cl<1>,1|C<3>,1|C<4>,1|O<1>}	P[6,6](C[5,3x6]P[3,5,6,6]P[5,6,6]C)(C[6,6]P[4,3x6]C){1|Cl<1>,1|O<1>,1|P<3>,2|C<4>}	113.8180	0.000	1	113.8180	0.000	1	113.8180	0.000	1	113.8180	0.000	1	113.8180	0.000	1	113.8180	0.000	1
474	852	951	0:SP3_SP-NON_SP3	C[5,6]	P[3,5,6]	H	4:3:4:1:	4:3:4:	4:	C[5,3x6]-4:P[3,5,6]-3:Si-4:H-1:	C[3,6,6]-4:P[3,5,6]-3:C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,3x6]C[6,6,6a]P[5,6,6]C[6])(P[3,5,6]C[3,6,6]P[3,5,6])(SiC3)(H)	P[3,5,6](C[3,6,6]C[6,6,6a]P[3,5,6]Si)(P[3,5,6]C[3,6,6]P[5,6,6])(C[5,6]C[5,3x6]SiH)	H(C[5,6]C[5,3x6]P[3,5,6]Si)	C[5,6](C[5,3x6]C[6,6,6a]P[5,6,6]C[6])(P[3,5,6]C[3,6,6]P[3,5,6])(SiC3)(H){1|Au<2>,1|Si<4>,1|H<1>,4|C<3>}	P[3,5,6](C[3,6,6]C[6,6,6a]P[3,5,6]Si)(P[3,5,6]C[3,6,6]P[5,6,6])(C[5,6]C[5,3x6]SiH){1|Au<2>,4|C<3>}	H(C[5,6]C[5,3x6]P[3,5,6]Si)	106.4330	0.000	1	105.8915	0.329	4	105.8915	0.329	4	105.8915	0.329	4	105.8915	0.329	4	105.6814	0.468	5
474	852	951	0:SP3_SP-NON_SP3	C[5,6]	P[3,5,6]	H	4:3:4:1:	4:3:4:	4:	C[5,3x6]-4:P[3,5,6]-3:Si-4:H-1:	C[3,6,6]-4:P[3,5,6]-3:C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,3x6]C[6,6,6a]P[5,6,6]C[6])(P[3,5,6]C[3,6,6]P[3,5,6])(SiC3)(H)	P[3,5,6](C[3,6,6]C[6,6,6a]P[3,5,6]Si)(P[3,5,6]C[3,6,6]P[5,6,6])(C[5,6]C[5,3x6]SiH)	H(C[5,6]C[5,3x6]P[3,5,6]Si)	C[5,6](C[5,3x6]C[6,6,6a]P[5,6,6]C[6])(P[3,5,6]C[3,6,6]P[3,5,6])(SiC3)(H){1|Cu<3>,1|Si<4>,1|H<1>,4|C<3>}	P[3,5,6](C[3,6,6]C[6,6,6a]P[3,5,6]Si)(P[3,5,6]C[3,6,6]P[5,6,6])(C[5,6]C[5,3x6]SiH){1|Cu<3>,4|C<3>}	H(C[5,6]C[5,3x6]P[3,5,6]Si)	105.9735	0.428	2	105.8915	0.329	4	105.8915	0.329	4	105.8915	0.329	4	105.8915	0.329	4	105.6814	0.468	5
474	852	951	0:SP3_SP-NON_SP3	C[5,6]	P[3,5,6]	H	4:3:4:1:	4:3:4:	4:	C[5,3x6]-4:P[3,5,6]-3:Si-4:H-1:	C[3,6,6]-4:P[3,5,6]-3:C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,3x6]C[6,6,6a]P[5,6,6]C[6])(P[3,5,6]C[3,6,6]P[3,5,6])(SiC3)(H)	P[3,5,6](C[3,6,6]C[6,6,6a]P[3,5,6]Si)(P[3,5,6]C[3,6,6]P[5,6,6])(C[5,6]C[5,3x6]SiH)	H(C[5,6]C[5,3x6]P[3,5,6]Si)	C[5,6](C[5,3x6]C[6,6,6a]P[5,6,6]C[6])(P[3,5,6]C[3,6,6]P[3,5,6])(SiC3)(H){1|Si<4>,1|H<1>,4|C<3>}	P[3,5,6](C[3,6,6]C[6,6,6a]P[3,5,6]Si)(P[3,5,6]C[3,6,6]P[5,6,6])(C[5,6]C[5,3x6]SiH){4|C<3>}	H(C[5,6]C[5,3x6]P[3,5,6]Si)	105.1860	0.000	1	105.8915	0.329	4	105.8915	0.329	4	105.8915	0.329	4	105.8915	0.329	4	105.6814	0.468	5
474	852	951	0:SP3_SP-NON_SP3	C[5]	P[3,5]	H	3:2:4:1:	3:4:4:	4:	P[3,5]-3:P[5]-2:C-4:H-1:	P[3,5]-3:C[3]-4:C[5]-4:	C[5]-4:	C[5](P[3,5]P[3,5]C[3])(P[5]C[5])(CC3)(H)	P[3,5](P[3,5]C[3]C[5])(C[3]P[3,5]CH)(C[5]P[5]CH)	H(C[5]P[3,5]P[5]C)	C[5](P[3,5]P[3,5]C[3])(P[5]C[5])(CC3)(H){1|H<1>,2|C<4>}	P[3,5](P[3,5]C[3]C[5])(C[3]P[3,5]CH)(C[5]P[5]CH){1|C<4>}	H(C[5]P[3,5]P[5]C)	104.8410	0.000	1	104.8410	0.000	1	104.8410	0.000	1	104.8410	0.000	1	104.8410	0.000	1	105.6814	0.468	5
474	852	955	6:SP3_SP3_SP3	C[5,3x6]	P[3,5,6,6]	P[5,6,6]	3:4:2:4:	3:4:4:	4:4:1:1:	P[3,5,6,6]-3:P[5,6,6]-4:P[6,6]-2:C-4:	P[3,4,5]-3:C[3,4,6,6]-4:C[5,3x6]-4:	C[4,5,6,6]-4:C[5,3x6]-4:Cl-1:O-1:	C[5,3x6](P[3,5,6,6]C[3,4,6,6]P[3,4,5])(P[5,6,6]C[4,5,6,6]ClO)(P[6,6]C[6,6])(CC3)	P[3,5,6,6](P[3,4,5]C[3,4,6,6]C[4,5,6,6])(C[3,4,6,6]P[3,4,5]P[4,3x6]C)(C[5,3x6]P[5,6,6]P[6,6]C)	P[5,6,6](C[4,5,6,6]P[3,4,5]P[4,3x6]C)(C[5,3x6]P[3,5,6,6]P[6,6]C)(Cl)(O)	C[5,3x6](P[3,5,6,6]C[3,4,6,6]P[3,4,5])(P[5,6,6]C[4,5,6,6]ClO)(P[6,6]C[6,6])(CC3){1|P<3>,3|C<4>}	P[3,5,6,6](P[3,4,5]C[3,4,6,6]C[4,5,6,6])(C[3,4,6,6]P[3,4,5]P[4,3x6]C)(C[5,3x6]P[5,6,6]P[6,6]C){1|Cl<1>,1|C<3>,1|C<4>,1|O<1>}	P[5,6,6](C[4,5,6,6]P[3,4,5]P[4,3x6]C)(C[5,3x6]P[3,5,6,6]P[6,6]C)(Cl)(O){1|C<3>,1|C<4>}	107.5040	0.000	1	107.5040	0.000	1	107.5040	0.000	1	107.5040	0.000	1	107.5040	0.000	1	107.5040	0.000	1
474	852	987	5:SP3_SP-NON_SP3	C[5,5]	P[3,5,5]	P[5]	3:3:2:4:	4:4:3:	4:3:	P[3,5,5]-3:P[4,5]-3:P[5]-2:C-4:	C[3,5]-4:C[5,5]-4:P[3,5]-3:	C[5,5]-4:C[5]-3:	C[5,5](P[3,5,5]C[3,5]P[3,5])(P[4,5]P[4,5]C[4])(P[5]C[5])(CC3)	P[3,5,5](C[3,5]P[3,5]P[4,5]C)(C[5,5]P[4,5]P[5]C)(P[3,5]C[3,5]C[5])	P[5](C[5,5]P[3,5,5]P[4,5]C)(C[5]P[3,5]C)	C[5,5](P[3,5,5]C[3,5]P[3,5])(P[4,5]P[4,5]C[4])(P[5]C[5])(CC3){1|C<3>,3|C<4>}	P[3,5,5](C[3,5]P[3,5]P[4,5]C)(C[5,5]P[4,5]P[5]C)(P[3,5]C[3,5]C[5]){1|C<4>,2|C<3>}	P[5](C[5,5]P[3,5,5]P[4,5]C)(C[5]P[3,5]C){1|C<3>,1|C<4>,1|P<3>}	114.1045	0.172	2	114.1045	0.030	2	114.1045	0.030	2	114.1045	0.030	2	114.1045	0.030	2	114.4530	0.379	3
474	852	987	5:SP3_SP-NON_SP3	C[5]	P[3,5]	P[5]	3:2:4:1:	3:4:4:	4:3:	P[3,5]-3:P[5]-2:C-4:H-1:	P[3,5]-3:C[3]-4:C[5]-4:	C[5]-4:C[5]-3:	C[5](P[3,5]P[3,5]C[3])(P[5]C[5])(CC3)(H)	P[3,5](P[3,5]C[3]C[5])(C[3]P[3,5]CH)(C[5]P[5]CH)	P[5](C[5]P[3,5]CH)(C[5]P[3,5]C)	C[5](P[3,5]P[3,5]C[3])(P[5]C[5])(CC3)(H){1|H<1>,2|C<4>}	P[3,5](P[3,5]C[3]C[5])(C[3]P[3,5]CH)(C[5]P[5]CH){1|C<4>}	P[5](C[5]P[3,5]CH)(C[5]P[3,5]C){1|C<4>}	115.1500	0.000	1	115.1500	0.000	1	115.1500	0.000	1	115.1500	0.000	1	115.1500	0.000	1	114.4530	0.379	3
474	852	987	6:SP3_SP-NON_SP3	C[3x5,6]	P[3,5,5,6]	P[5,6]	3:4:2:4:	4:4:4:	4:3:	P[3,5,5,6]-3:C[4x5]-4:P[5,6]-2:C-4:	C[3,5,5,6]-4:P[3,5,5]-4:C[3x5,6]-4:	C[3x5,6]-4:C[5,6]-3:	C[3x5,6](P[3,5,5,6]C[3,5,5,6]P[3,5,5])(C[4x5]P[3x5,6]P[5,5]C)(P[5,6]C[5,6])(CC3)	P[3,5,5,6](C[3,5,5,6]P[3,5,5]P[3x5,6]C)(P[3,5,5]C[3,5,5,6]P[5,5]Cr)(C[3x5,6]C[4x5]P[5,6]C)	P[5,6](C[3x5,6]P[3,5,5,6]C[4x5]C)(C[5,6]P[3x5,6]C)	C[3x5,6](P[3,5,5,6]C[3,5,5,6]P[3,5,5])(C[4x5]P[3x5,6]P[5,5]C)(P[5,6]C[5,6])(CC3){1|Cr<6>,1|O<1>,2|C<4>}	P[3,5,5,6](C[3,5,5,6]P[3,5,5]P[3x5,6]C)(P[3,5,5]C[3,5,5,6]P[5,5]Cr)(C[3x5,6]C[4x5]P[5,6]C){1|C<3>,1|C<4>,1|O<1>}	P[5,6](C[3x5,6]P[3,5,5,6]C[4x5]C)(C[5,6]P[3x5,6]C){1|P<3>,1|P<4>,2|C<4>}	97.0544	0.000	1	97.0544	0.000	1	97.0544	0.000	1	97.0544	0.000	1	97.0544	0.000	1	97.0544	0.000	1
474	854	951	0:SP3_SP-NON_SP3	C[5,6,6]	N[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,3x6]-4:C[5,6]-4:N[6]-4:H-1:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]CH)(H)	N[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]C[6,6]HH)(CH3)(H)	H(C[5,6,6]C[5,3x6]C[5,6]N[6])	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]CH)(H){3|O<2>,5|C<4>,6|H<1>}	N[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]C[6,6]HH)(CH3)(H){1|H<1>,7|C<4>}	H(C[5,6,6]C[5,3x6]C[5,6]N[6])	110.3320	0.000	1	110.3320	0.000	1	110.3320	0.000	1	110.3320	0.000	1	110.3320	0.000	1	108.9288	1.534	16
474	854	951	0:SP3_SP-NON_SP3	C[5,6]	N[6]	H	4:4:4:1:	3:4:1:1:	4:	C[5,6]-4:N[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]HH)(C[5]C[5]CC)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]HH)(C[5]C[5]CC)(H){3|C<3>,5|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{2|C<3>,2|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[5]N[6])	107.5580	0.000	1	107.5580	0.000	1	108.4765	1.687	2	108.4765	1.687	2	109.3238	1.019	9	108.9288	1.534	16
474	854	951	0:SP3_SP-NON_SP3	C[5,6]	N[6]	H	4:4:4:1:	3:4:1:1:	4:	C[5,6]-4:N[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]HH)(C[5]C[5]CH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]HH)(C[5]C[5]CH)(H){2|C<3>,2|C<4>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{2|C<3>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[5]N[6])	109.3950	0.000	1	109.3950	0.000	1	108.4765	1.687	2	108.4765	1.687	2	109.3238	1.019	9	108.9288	1.534	16
474	854	951	0:SP3_SP-NON_SP3	C[5,6]	N[6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:N[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(N[6]C[6]HH)(H)	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(N[6]C[6]HH)(H){1|C<3>,1|C<4>,6|H<1>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]N[6])	109.5659	0.877	7	109.5659	0.769	7	109.5659	0.769	7	109.5659	0.769	7	109.3238	1.019	9	108.9288	1.534	16
474	854	951	0:SP3_SP-NON_SP3	C[5]	N[6]	H	3:4:4:1:	4:4:4:1:	4:	C[5,6a]-3:B[5,6a]-4:N[6]-4:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(B[5,6a]O[6a]2O[5])(N[6]C[6]2H)(H)	N[6](C[5]B[5,6a]C[5,6a]H)(C[6]C[6]HH)2(H)	H(C[5]B[5,6a]C[5,6a]N[6])	C[5](C[5,6a]C[5,6a]C[6a])(B[5,6a]O[6a]2O[5])(N[6]C[6]2H)(H){2|B<3>,2|C<3>,2|C<4>,5|H<1>}	N[6](C[5]B[5,6a]C[5,6a]H)(C[6]C[6]HH)2(H){2|C<3>,4|H<1>,4|O<2>}	H(C[5]B[5,6a]C[5,6a]N[6])	109.9590	0.000	1	109.9590	0.000	1	109.9590	0.000	1	109.9590	0.000	1	108.1025	1.478	6	108.9288	1.534	16
474	854	951	0:SP3_SP-NON_SP3	C[5]	N[6]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:N[6]-4:C[5]-3:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5]C[5]C[6]H)(N[6]C[6]2H)(C[5]C[5]H)(H)	N[6](C[5]C[5]2H)(C[6]C[6]HH)2(H)	H(C[5]C[5]2N[6])	C[5](C[5]C[5]C[6]H)(N[6]C[6]2H)(C[5]C[5]H)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	N[6](C[5]C[5]2H)(C[6]C[6]HH)2(H){1|C<4>,3|C<3>,6|H<1>}	H(C[5]C[5]2N[6])	108.2730	0.000	1	108.2730	0.000	1	108.2730	0.000	1	108.6585	0.297	2	108.1025	1.478	6	108.9288	1.534	16
474	854	951	0:SP3_SP-NON_SP3	C[5]	N[6]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:N[6]-4:C[5]-3:H-1:	C[6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5]C[5]C[6]H)(N[6]C[6]2H)(C[5]C[5]H)(H)	N[6](C[6]C[6,6a]HH)(C[5]C[5]2H)(C[6]C[6]HH)(H)	H(C[5]C[5]2N[6])	C[5](C[5]C[5]C[6]H)(N[6]C[6]2H)(C[5]C[5]H)(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	N[6](C[6]C[6,6a]HH)(C[5]C[5]2H)(C[6]C[6]HH)(H){4|H<1>,5|C<3>}	H(C[5]C[5]2N[6])	109.0440	0.000	1	109.0440	0.000	1	109.0440	0.000	1	108.6585	0.297	2	108.1025	1.478	6	108.9288	1.534	16
474	854	951	0:SP3_SP-NON_SP3	C[5]	N[6]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:N[6]-4:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5]C[5]BH)(C[5]C[5]HH)(N[6]C[6]2H)(H)	N[6](C[5]C[5]2H)(C[6]C[6]HH)2(H)	H(C[5]C[5]2N[6])	C[5](C[5]C[5]BH)(C[5]C[5]HH)(N[6]C[6]2H)(H){2|C<4>,8|H<1>}	N[6](C[5]C[5]2H)(C[6]C[6]HH)2(H){1|B<4>,3|C<4>,7|H<1>}	H(C[5]C[5]2N[6])	107.1130	0.214	3	107.1130	0.046	3	107.1130	0.046	3	107.1130	0.046	3	108.1025	1.478	6	108.9288	1.534	16
474	856	856	0:SP3_SP3_SP3	C[5]	N[6]	N[6]	3:3:3:3:	4:4:4:	4:4:4:	C[5,6a]-3:C[5]-3:N[6]-3:N[6]-3:	C[5]-4:C[6]-4:C[6]-4:	C[5]-4:C[6]-4:C[6]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[6]C[6]2)2	N[6](C[5]C[5,6a]C[5]N[6])(C[6]C[6]HH)2	N[6](C[5]C[5,6a]C[5]N[6])(C[6]C[6]HH)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[6]C[6]2)2{2|C<3>,5|C<4>,9|H<1>}	N[6](C[5]C[5,6a]C[5]N[6])(C[6]C[6]HH)2{1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	N[6](C[5]C[5,6a]C[5]N[6])(C[6]C[6]HH)2{1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	107.4490	0.000	1	107.4115	0.003	2	107.4115	0.003	2	107.4115	0.003	2	107.4115	0.003	2	107.4115	0.003	2
474	856	856	0:SP3_SP3_SP3	C[5]	N[6]	N[6]	3:3:3:3:	4:4:4:	4:4:4:	C[5,6a]-3:C[5]-3:N[6]-3:N[6]-3:	C[5]-4:C[6]-4:C[6]-4:	C[5]-4:C[6]-4:C[6]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[6]C[6]2)2	N[6](C[5]C[5,6a]C[5]N[6])(C[6]C[6]HH)2	N[6](C[5]C[5,6a]C[5]N[6])(C[6]C[6]HH)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[6]C[6]2)2{2|C<3>,5|C<4>,9|H<1>}	N[6](C[5]C[5,6a]C[5]N[6])(C[6]C[6]HH)2{1|O<1>,2|C<3>,2|C<4>,2|N<3>,4|H<1>}	N[6](C[5]C[5,6a]C[5]N[6])(C[6]C[6]HH)2{1|O<1>,2|C<3>,2|C<4>,2|N<3>,4|H<1>}	107.3740	0.000	1	107.4115	0.003	2	107.4115	0.003	2	107.4115	0.003	2	107.4115	0.003	2	107.4115	0.003	2
474	856	856	6:SP3_SP2_SP2	C[5,6,6]	N[6]	N[6]	4:4:3:3:	4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-4:N[6]-3:N[6]-3:	C[5,6,6]-4:C[6,6a]-3:H-1:	C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(N[6]C[6,6a]H)(N[6]C[6]H)	N[6](C[5,6,6]C[5,5,6]C[5,6]N[6])(C[6,6a]C[6,6a]C[6a])(H)	N[6](C[5,6,6]C[5,5,6]C[5,6]N[6])(C[6]C[6,6a]O)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(N[6]C[6,6a]H)(N[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	N[6](C[5,6,6]C[5,5,6]C[5,6]N[6])(C[6,6a]C[6,6a]C[6a])(H){2|H<1>,3|C<3>,6|C<4>}	N[6](C[5,6,6]C[5,5,6]C[5,6]N[6])(C[6]C[6,6a]O)(H){1|H<1>,2|C<3>,6|C<4>}	106.2930	0.595	2	106.2930	0.354	2	106.2930	0.354	2	106.2930	0.354	2	106.2930	0.354	2	108.6152	5.189	9
474	856	856	6:SP3_SP2_SP2	C[5,6]	N[6]	N[6]	3:3:3:2:	4:3:3:	4:3:3:	N[6]-3:N[6]-3:C[5]-3:O[5]-2:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,6](N[6]C[6a]C[6])2(C[5]N[5]O)(O[5]C[5])	N[6](C[5,6]C[5]N[6]O[5])(C[6a]C[6a]2)(C[6]C[6]O)	N[6](C[5,6]C[5]N[6]O[5])(C[6a]C[6a]2)(C[6]C[6]O)	C[5,6](N[6]C[6a]C[6])2(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|N<2>,2|O<1>,5|C<3>}	N[6](C[5,6]C[5]N[6]O[5])(C[6a]C[6a]2)(C[6]C[6]O){1|N<3>,1|O<1>,4|C<4>,5|C<3>}	N[6](C[5,6]C[5]N[6]O[5])(C[6a]C[6a]2)(C[6]C[6]O){1|N<3>,1|O<1>,4|C<4>,5|C<3>}	112.7210	0.000	1	112.7210	0.000	1	112.7210	0.000	1	112.7210	0.000	1	109.2787	4.549	7	108.6152	5.189	9
474	856	856	6:SP3_SP2_SP2	C[5,6]	N[6]	N[6]	3:3:3:3:	3:4:4:	3:4:4:	C[5]-3:C[5]-3:N[6]-3:N[6]-3:	C[6,6a]-3:C[5,6]-4:C-4:	C[6,6a]-3:C[5,6]-4:C-4:	C[5,6](C[5]C[5,6a]O)2(N[6]C[6,6a]C)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5]2N[6])(CH3)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5]2N[6])(CH3)	C[5,6](C[5]C[5,6a]O)2(N[6]C[6,6a]C)2{5|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5]2N[6])(CH3){1|C<4>,1|H<1>,2|O<1>,5|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5]2N[6])(CH3){1|C<4>,1|H<1>,2|O<1>,5|C<3>}	110.4030	0.000	1	110.4030	0.000	1	110.4030	0.000	1	110.4030	0.000	1	109.2787	4.549	7	108.6152	5.189	9
474	856	856	6:SP3_SP2_SP2	C[5,6]	N[6]	N[6]	3:3:3:3:	4:3:4:	4:3:1:	C[5,6a]-3:C[5,6a]-3:N[6]-3:N[6]-3:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])2(N[6]C[6]C)(N[6]C[6]H)	N[6](C[5,6]C[5,6a]2N[6])(C[6]C[6]O)(CH3)	N[6](C[5,6]C[5,6a]2N[6])(C[6]C[6]O)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(N[6]C[6]C)(N[6]C[6]H){1|C<4>,2|H<1>,2|O<1>,4|C<3>}	N[6](C[5,6]C[5,6a]2N[6])(C[6]C[6]O)(CH3){1|H<1>,2|C<4>,5|C<3>}	N[6](C[5,6]C[5,6a]2N[6])(C[6]C[6]O)(H){3|C<4>,5|C<3>}	110.2850	0.000	1	110.2850	0.000	1	110.2850	0.000	1	110.2850	0.000	1	109.2787	4.549	7	108.6152	5.189	9
474	856	856	6:SP3_SP2_SP2	C[5,6]	N[6]	N[6]	3:3:3:3:	4:3:4:	4:3:4:	C[5,6a]-3:C[5,6a]-3:N[6]-3:N[6]-3:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C[6]-3:C-4:	C[5,6](C[5,6a]C[5,6a]C[6a])2(N[6]C[6]C)2	N[6](C[5,6]C[5,6a]2N[6])(C[6]N[6]O)(CC[6a]HH)	N[6](C[5,6]C[5,6a]2N[6])(C[6]N[6]O)(CH3)	C[5,6](C[5,6a]C[5,6a]C[6a])2(N[6]C[6]C)2{1|N<3>,2|H<1>,2|O<1>,4|C<3>}	N[6](C[5,6]C[5,6a]2N[6])(C[6]N[6]O)(CC[6a]HH){2|C<4>,5|C<3>}	N[6](C[5,6]C[5,6a]2N[6])(C[6]N[6]O)(CH3){2|C<4>,5|C<3>}	107.6920	0.000	1	107.6920	0.000	1	107.6920	0.000	1	107.6920	0.000	1	109.2787	4.549	7	108.6152	5.189	9
474	856	856	6:SP3_SP2_SP2	C[5,6]	N[6]	N[6]	3:3:4:2:	4:3:3:	4:3:3:	N[6]-3:N[6]-3:C[5]-4:O[5]-2:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,6](N[6]C[6a]C[6])2(C[5]C[5]HH)(O[5]C[5])	N[6](C[5,6]C[5]N[6]O[5])(C[6a]C[6a]2)(C[6]C[6]O)	N[6](C[5,6]C[5]N[6]O[5])(C[6a]C[6a]2)(C[6]C[6]O)	C[5,6](N[6]C[6a]C[6])2(C[5]C[5]HH)(O[5]C[5]){1|H<1>,2|C<4>,2|O<1>,4|C<3>}	N[6](C[5,6]C[5]N[6]O[5])(C[6a]C[6a]2)(C[6]C[6]O){2|H<1>,4|C<4>,6|C<3>}	N[6](C[5,6]C[5]N[6]O[5])(C[6a]C[6a]2)(C[6]C[6]O){2|H<1>,4|C<4>,6|C<3>}	109.8390	0.000	1	109.8390	0.000	1	109.8390	0.000	1	109.8390	0.000	1	109.2787	4.549	7	108.6152	5.189	9
474	856	856	6:SP3_SP2_SP2	C[5,6]	N[6]	N[6]	3:4:4:3:	3:4:1:	4:3:1:	N[6]-3:C[5]-4:C[5]-4:N[6]-3:	C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](N[6]C[6,6a]H)(C[5]C[5]HH)2(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2N[6])(H)	N[6](C[5,6]C[5]2N[6])(C[6]C[6,6a]O)(H)	C[5,6](N[6]C[6,6a]H)(C[5]C[5]HH)2(N[6]C[6]H){1|O<1>,2|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2N[6])(H){2|C<4>,3|C<3>,6|H<1>}	N[6](C[5,6]C[5]2N[6])(C[6]C[6,6a]O)(H){2|C<3>,2|C<4>,5|H<1>}	107.0055	0.040	2	107.0055	0.002	2	107.0055	0.002	2	107.0055	0.002	2	109.2787	4.549	7	108.6152	5.189	9
474	856	856	6:SP3_SP2_SP3	C[5,6]	N[6]	N[6]	3:3:3:3:	4:3:2:	4:4:1:	C[5,6a]-3:C[5]-3:N[6]-3:N[6]-3:	C[5,6]-4:C[6]-3:O-2:	C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[6]C[6]H)(N[6]C[6]O)	N[6](C[5,6]C[5,6a]C[5]N[6])(C[6]N[6]O)(OC)	N[6](C[5,6]C[5,6a]C[5]N[6])(C[6]N[6]CH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[6]C[6]H)(N[6]C[6]O){1|Br<1>,1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	N[6](C[5,6]C[5,6a]C[5]N[6])(C[6]N[6]O)(OC){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	N[6](C[5,6]C[5,6a]C[5]N[6])(C[6]N[6]CH)(H){1|N<3>,1|O<1>,2|O<2>,3|C<3>}	108.9660	0.000	1	108.9660	0.000	1	108.9660	0.000	1	108.9660	0.000	1	108.1898	0.951	5	108.1898	0.951	5
474	856	856	6:SP3_SP2_SP3	C[5,6]	N[6]	N[6]	3:3:3:3:	4:3:3:	3:4:1:	N[6]-3:C[5]-3:C[5]-3:N[6]-3:	C[5,6]-4:C[6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:	C[5,6](N[6]C[6a]C[6])(C[5]C[5,6a]O)2(N[6]C[6,6a]H)	N[6](C[5,6]C[5]2N[6])(C[6]C[6,6a]O)(C[6a]C[6a]2)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2N[6])(H)	C[5,6](N[6]C[6a]C[6])(C[5]C[5,6a]O)2(N[6]C[6,6a]H){1|O<1>,6|C<3>}	N[6](C[5,6]C[5]2N[6])(C[6]C[6,6a]O)(C[6a]C[6a]2){1|O<2>,2|H<1>,2|O<1>,6|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2N[6])(H){1|H<1>,2|O<1>,6|C<3>}	109.3620	0.000	1	109.3620	0.000	1	109.3620	0.000	1	109.3620	0.000	1	108.1898	0.951	5	108.1898	0.951	5
474	856	856	6:SP3_SP2_SP3	C[5,6]	N[6]	N[6]	3:3:3:3:	4:3:4:	4:3:4:	C[5,6a]-3:C[5,6a]-3:N[6]-3:N[6]-3:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C[6]-3:C-4:	C[5,6](C[5,6a]C[5,6a]C[6a])2(N[6]C[6]C)2	N[6](C[5,6]C[5,6a]2N[6])(C[6]N[6]O)(CC[6a]HH)	N[6](C[5,6]C[5,6a]2N[6])(C[6]N[6]O)(CH3)	C[5,6](C[5,6a]C[5,6a]C[6a])2(N[6]C[6]C)2{1|N<3>,2|H<1>,2|O<1>,4|C<3>}	N[6](C[5,6]C[5,6a]2N[6])(C[6]N[6]O)(CC[6a]HH){2|C<4>,5|C<3>}	N[6](C[5,6]C[5,6a]2N[6])(C[6]N[6]O)(CH3){2|C<4>,5|C<3>}	108.1530	0.000	1	108.1530	0.000	1	108.1530	0.000	1	108.1530	0.000	1	108.1898	0.951	5	108.1898	0.951	5
474	856	856	6:SP3_SP2_SP3	C[5,6]	N[6]	N[6]	3:4:4:3:	3:4:1:	4:3:1:	N[6]-3:C[5]-4:C[5]-4:N[6]-3:	C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](N[6]C[6,6a]H)(C[5]C[5]HH)2(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]N[6a])(C[5,6]C[5]2N[6])(H)	N[6](C[5,6]C[5]2N[6])(C[6]C[6,6a]O)(H)	C[5,6](N[6]C[6,6a]H)(C[5]C[5]HH)2(N[6]C[6]H){1|C<3>,1|N<2>,1|O<1>,4|H<1>}	N[6](C[6,6a]C[6,6a]N[6a])(C[5,6]C[5]2N[6])(H){2|C<4>,3|C<3>,5|H<1>}	N[6](C[5,6]C[5]2N[6])(C[6]C[6,6a]O)(H){2|C<3>,2|C<4>,5|H<1>}	107.2340	0.000	2	107.2340	0.000	2	107.2340	0.000	2	107.2340	0.000	2	108.1898	0.951	5	108.1898	0.951	5
474	856	856	6:SP3_SP3_SP3	C[5,6]	N[6]	N[6]	3:3:3:3:	3:4:4:	3:4:4:	C[5,6a]-3:N[6]-3:N[6]-3:C[5]-3:	C[6,6a]-3:C[5,6]-4:C-4:	C[6,6a]-3:C[5,6]-4:C-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6,6a]C)2(C[5]C[5]O)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5,6a]C[5]N[6])(CH3)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5,6a]C[5]N[6])(CH3)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6,6a]C)2(C[5]C[5]O){1|H<1>,1|O<1>,5|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5,6a]C[5]N[6])(CH3){1|C<4>,1|H<1>,1|O<1>,6|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5,6a]C[5]N[6])(CH3){1|C<4>,1|H<1>,1|O<1>,6|C<3>}	109.0020	0.000	1	109.0020	0.000	1	109.0020	0.000	1	110.4548	1.308	5	110.4548	1.308	5	110.4548	1.308	5
474	856	856	6:SP3_SP3_SP3	C[5,6]	N[6]	N[6]	3:3:3:3:	3:4:4:	3:4:4:	C[5]-3:C[5]-3:N[6]-3:N[6]-3:	C[6,6a]-3:C[5,6]-4:C-4:	C[6,6a]-3:C[5,6]-4:C-4:	C[5,6](C[5]C[5,6a]O)2(N[6]C[6,6a]C)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5]2N[6])(CH3)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5]2N[6])(CH3)	C[5,6](C[5]C[5,6a]O)2(N[6]C[6,6a]C)2{5|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5]2N[6])(CH3){1|C<4>,1|H<1>,2|O<1>,5|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5]2N[6])(CH3){1|C<4>,1|H<1>,2|O<1>,5|C<3>}	110.8180	0.930	4	110.8180	0.865	4	110.8180	0.865	4	110.4548	1.308	5	110.4548	1.308	5	110.4548	1.308	5
474	856	891	0:SP3_SP2_SP2	C[5,6]	N[6]	S[5]	3:3:3:2:	4:3:4:	4:3:	C[5a,6]-3:N[5]-3:N[6]-3:S[5]-2:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C[5]-3:	C[5,6](C[5a,6]C[5a,6]C[5a])(N[5]C[6a]N[5])(N[6]C[6]C)(S[5]C[5])	N[6](C[5,6]C[5a,6]N[5]S[5])(C[6]N[6]H)(CCHH)	S[5](C[5,6]C[5a,6]N[5]N[6])(C[5]C[6a]N[5])	C[5,6](C[5a,6]C[5a,6]C[5a])(N[5]C[6a]N[5])(N[6]C[6]C)(S[5]C[5]){1|N<3>,2|H<1>,2|N<2>,3|C<3>}	N[6](C[5,6]C[5a,6]N[5]S[5])(C[6]N[6]H)(CCHH){1|N<2>,4|C<3>}	S[5](C[5,6]C[5a,6]N[5]N[6])(C[5]C[6a]N[5]){1|C<4>,6|C<3>}	111.0160	0.000	1	111.0160	0.000	1	111.0160	0.000	1	111.0160	0.000	1	111.0030	0.000	2	111.0030	0.000	2
474	856	891	0:SP3_SP2_SP2	C[5,6]	N[6]	S[5]	4:2:3:3:	4:3:1:	3:4:	C[5]-4:S[5]-2:C[6]-3:N[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[5]C[5,6a]HH)(S[5]C[5,6a])(C[6]N[6]O)(N[6]C[6]H)	N[6](C[5,6]C[5]C[6]S[5])(C[6]C[6]O)(H)	S[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]N[6])	C[5,6](C[5]C[5,6a]HH)(S[5]C[5,6a])(C[6]N[6]O)(N[6]C[6]H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[6](C[5,6]C[5]C[6]S[5])(C[6]C[6]O)(H){1|C<4>,1|N<3>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]N[6]){1|N<3>,1|O<1>,3|C<3>,4|H<1>}	110.9900	0.000	1	110.9900	0.000	1	110.9900	0.000	1	110.9900	0.000	1	111.0030	0.000	2	111.0030	0.000	2
474	856	893	0:SP3_SP2_SP3	C[5,3x6]	N[6,6]	O	4:4:3:2:	4:3:1:	4:1:	C[4,5,6,6]-4:C[5,5,3x6]-4:N[6,6]-3:O-2:	C[5,3x6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:H-1:	C[5,3x6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,3x6]C[5,5,3x6]C[3x5,6]H)(N[6,6]C[6,6]H)(OH)	N[6,6](C[5,3x6]C[4,5,6,6]C[5,5,3x6]O)(C[6,6]C[5,3x6]O)(H)	O(C[5,3x6]C[4,5,6,6]C[5,5,3x6]N[6,6])(H)	C[5,3x6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,3x6]C[5,5,3x6]C[3x5,6]H)(N[6,6]C[6,6]H)(OH){1|O<1>,4|C<4>,4|H<1>}	N[6,6](C[5,3x6]C[4,5,6,6]C[5,5,3x6]O)(C[6,6]C[5,3x6]O)(H){1|O<2>,2|H<1>,4|C<4>}	O(C[5,3x6]C[4,5,6,6]C[5,5,3x6]N[6,6])(H)	108.1280	0.000	1	108.1280	0.000	1	108.1280	0.000	1	108.1280	0.000	1	108.1280	0.000	1	107.3817	0.548	3
474	856	893	0:SP3_SP2_SP3	C[5,6]	N[6,6]	O	3:4:3:2:	4:3:4:	4:1:	N[6,6]-3:C[5,6]-4:C[5]-3:O-2:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[5,6]-4:H-1:	C[5,6](N[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(OH)	N[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6]N[6])(C[6]C[6]HH)	O(C[5,6]C[5,6]N[6,6]C[5])(H)	C[5,6](N[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(OH){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	N[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6]N[6])(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<1>,3|C<4>,4|H<1>}	O(C[5,6]C[5,6]N[6,6]C[5])(H)	107.3690	0.000	1	107.3690	0.000	1	107.3690	0.000	1	107.3690	0.000	1	107.3690	0.000	1	107.3817	0.548	3
474	856	893	0:SP3_SP2_SP3	C[5,6]	N[6]	O	3:4:3:2:	4:3:1:	4:1:	C[5,6a]-3:C[5,6]-4:N[6]-3:O-2:	C[5,6]-4:C[6,6a]-3:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(OH)	N[6](C[5,6]C[5,6a]C[5,6]O)(C[6,6a]C[6,6a]N[6a])(H)	O(C[5,6]C[5,6a]C[5,6]N[6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(OH){1|N<2>,1|O<1>,2|H<1>,4|C<3>}	N[6](C[5,6]C[5,6a]C[5,6]O)(C[6,6a]C[6,6a]N[6a])(H){1|C<4>,1|H<1>,5|C<3>}	O(C[5,6]C[5,6a]C[5,6]N[6])(H)	106.6480	0.000	1	106.6480	0.000	1	106.6480	0.000	1	106.6480	0.000	1	106.6480	0.000	1	107.3817	0.548	3
474	856	893	0:SP3_SP3_SP3	C[5,6]	N[6]	O	4:3:3:2:	4:4:4:	4:1:	C[5,3x6]-4:C[5]-3:N[6]-3:O-2:	C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:H-1:	C[5,6](C[5,3x6]C[5,3x6]C[6,6]C[6])(C[5]C[5,6,6]O)(N[6]C[6]C)(OH)	N[6](C[5,6]C[5,3x6]C[5]O)(C[6]C[6]HH)(CCHH)	O(C[5,6]C[5,3x6]C[5]N[6])(H)	C[5,6](C[5,3x6]C[5,3x6]C[6,6]C[6])(C[5]C[5,6,6]O)(N[6]C[6]C)(OH){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	N[6](C[5,6]C[5,3x6]C[5]O)(C[6]C[6]HH)(CCHH){1|O<1>,2|H<1>,4|C<4>}	O(C[5,6]C[5,3x6]C[5]N[6])(H)	107.1710	0.024	2	107.1710	0.001	2	107.1710	0.001	2	107.1710	0.001	2	107.1710	0.001	2	107.1710	0.001	2
474	856	930	0:SP3_SP2_SP2	C[5,6]	N[6]	C	3:4:3:3:	4:2:1:	4:2:1:	N[5,6]-3:C[5]-4:N[6]-3:C-3:	C[5,6]-4:N[6]-2:H-1:	C[5,6]-4:O-2:O-1:	C[5,6](N[5,6]C[5]C[6])(C[5]S[5]HH)(N[6]N[6]H)(COO)	N[6](C[5,6]N[5,6]C[5]C)(N[6]C[6])(H)	C(C[5,6]N[5,6]C[5]N[6])(OC)(O)	C[5,6](N[5,6]C[5]C[6])(C[5]S[5]HH)(N[6]N[6]H)(COO){1|C<3>,2|H<1>,3|O<1>}	N[6](C[5,6]N[5,6]C[5]C)(N[6]C[6])(H){1|C<3>,1|C<4>,1|O<1>,1|S<4>,2|H<1>}	C(C[5,6]N[5,6]C[5]N[6])(OC)(O)	110.4650	0.000	1	110.4650	0.000	1	110.4650	0.000	1	110.4650	0.000	1	108.5190	5.695	4	108.5190	5.695	4
474	856	930	0:SP3_SP2_SP2	C[5,6]	N[6]	C	3:4:3:3:	4:3:4:	4:3:1:	C[5,6a]-3:C[5,6]-4:N[6]-3:C-3:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:N-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5]C)(N[6]C[6]C)(CNO)	N[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6,6a]O)(CC[6a]HH)	C(C[5,6]C[5,6a]C[5,6]N[6])(NCH)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5]C)(N[6]C[6]C)(CNO){1|H<1>,1|O<1>,4|C<3>}	N[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6,6a]O)(CC[6a]HH){1|C<4>,1|O<2>,4|C<3>}	C(C[5,6]C[5,6a]C[5,6]N[6])(NCH)(O)	105.9930	0.000	1	105.9930	0.000	1	105.9930	0.000	1	105.9930	0.000	1	108.5190	5.695	4	108.5190	5.695	4
474	856	930	0:SP3_SP2_SP2	C[5,6]	N[6]	C	4:3:3:3:	4:3:3:	4:3:1:	C[3x5,6]-4:N[5,6]-3:N[6]-3:C-3:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,6]-4:C-3:H-1:	C[5,6](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5,6]C[5]C[6])(N[6]C[6a]C[6])(CCH)	N[6](C[5,6]C[3x5,6]N[5,6]C)(C[6a]C[6a]2)(C[6]N[6]O)	C(C[5,6]C[3x5,6]N[5,6]N[6])(CC[6a]H)(H)	C[5,6](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5,6]C[5]C[6])(N[6]C[6a]C[6])(CCH){1|N<3>,2|C<4>,2|O<1>,3|C<3>,4|H<1>}	N[6](C[5,6]C[3x5,6]N[5,6]C)(C[6a]C[6a]2)(C[6]N[6]O){1|O<2>,2|C<4>,2|H<1>,5|C<3>}	C(C[5,6]C[3x5,6]N[5,6]N[6])(CC[6a]H)(H)	110.6460	0.000	1	110.6460	0.000	1	110.6460	0.000	1	110.6460	0.000	1	108.5190	5.695	4	108.5190	5.695	4
474	856	930	0:SP3_SP2_SP2	C[5,6]	N[6]	C	4:3:4:3:	3:4:1:	4:2:1:	C[5,6]-4:N[6]-3:C[5]-4:C-3:	C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:O-2:O-1:	C[5,6](C[5,6]C[5]O[6]N)(N[6]C[6,6a]H)(C[5]C[5]HH)(COO)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H)	C(C[5,6]C[5,6]C[5]N[6])(OC)(O)	C[5,6](C[5,6]C[5]O[6]N)(N[6]C[6,6a]H)(C[5]C[5]HH)(COO){2|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C(C[5,6]C[5,6]C[5]N[6])(OC)(O)	106.9720	0.000	1	106.9720	0.000	1	106.9720	0.000	1	106.9720	0.000	1	108.5190	5.695	4	108.5190	5.695	4
474	856	951	0:SP3_SP-NON_SP2	C[5,3x6]	N[6,6]	H	4:4:3:1:	4:4:3:	4:	C[5,6,6]-4:C[5,6,6]-4:N[6,6]-3:H-1:	C[5,3x6]-4:C[6,6]-4:C-3:	C[5,3x6]-4:	C[5,3x6](C[5,6,6]C[6,6]C[5]Br)(C[5,6,6]C[6,6]O[5]H)(N[6,6]C[6,6]C)(H)	N[6,6](C[5,3x6]C[5,6,6]2H)(C[6,6]C[3x6]HH)(COO)	H(C[5,3x6]C[5,6,6]2N[6,6])	C[5,3x6](C[5,6,6]C[6,6]C[5]Br)(C[5,6,6]C[6,6]O[5]H)(N[6,6]C[6,6]C)(H){1|Br<1>,1|C<4>,1|O<1>,5|H<1>}	N[6,6](C[5,3x6]C[5,6,6]2H)(C[6,6]C[3x6]HH)(COO){1|Br<1>,1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,3x6]C[5,6,6]2N[6,6])	110.2850	0.000	1	110.2850	0.000	1	110.3890	0.022	2	110.3890	0.022	2	110.3890	0.022	2	109.4555	3.913	211
474	856	951	0:SP3_SP-NON_SP2	C[5,3x6]	N[6,6]	H	4:4:3:1:	4:4:3:	4:	C[5,6,6]-4:C[5,6,6]-4:N[6,6]-3:H-1:	C[5,3x6]-4:C[6,6]-4:C-3:	C[5,3x6]-4:	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]H)(N[6,6]C[6,6]C)(H)	N[6,6](C[5,3x6]C[5,6,6]2H)(C[6,6]C[3x6]HH)(COO)	H(C[5,3x6]C[5,6,6]2N[6,6])	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]H)(N[6,6]C[6,6]C)(H){1|Br<1>,1|C<4>,1|O<1>,5|H<1>}	N[6,6](C[5,3x6]C[5,6,6]2H)(C[6,6]C[3x6]HH)(COO){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,3x6]C[5,6,6]2N[6,6])	110.4930	0.000	1	110.4930	0.000	1	110.3890	0.022	2	110.3890	0.022	2	110.3890	0.022	2	109.4555	3.913	211
474	856	951	0:SP3_SP-NON_SP2	C[5,5,6]	N[6]	H	4:4:3:1:	4:4:3:	4:	C[5,5,3x6]-4:C[5,5,6]-4:N[6]-3:H-1:	C[5,5,6]-4:C[6]-4:C-3:	C[5,5,6]-4:	C[5,5,6](C[5,5,3x6]C[4,5,6]C[5,3x6]C[6])(C[5,5,6]C[4,5,6,6]C[5,6]H)(N[6]C[6]C)(H)	N[6](C[5,5,6]C[5,5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(COO)	H(C[5,5,6]C[5,5,3x6]C[5,5,6]N[6])	C[5,5,6](C[5,5,3x6]C[4,5,6]C[5,3x6]C[6])(C[5,5,6]C[4,5,6,6]C[5,6]H)(N[6]C[6]C)(H){1|O<2>,5|C<4>,7|H<1>}	N[6](C[5,5,6]C[5,5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(COO){2|H<1>,6|C<4>}	H(C[5,5,6]C[5,5,3x6]C[5,5,6]N[6])	110.7093	0.159	3	110.7093	0.025	3	110.5747	0.068	9	110.5747	0.068	9	110.5747	0.068	9	109.4555	3.913	211
474	856	951	0:SP3_SP-NON_SP2	C[5,5,6]	N[6]	H	4:4:3:1:	4:4:3:	4:	C[5,5,3x6]-4:C[5,5,6]-4:N[6]-3:H-1:	C[5,5,6]-4:C[6]-4:C-3:	C[5,5,6]-4:	C[5,5,6](C[5,5,3x6]C[5,3x6]2C[6])(C[5,5,6]C[5,4x6]C[5,6]H)(N[6]C[6]C)(H)	N[6](C[5,5,6]C[5,5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(CCO)	H(C[5,5,6]C[5,5,3x6]C[5,5,6]N[6])	C[5,5,6](C[5,5,3x6]C[5,3x6]2C[6])(C[5,5,6]C[5,4x6]C[5,6]H)(N[6]C[6]C)(H){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	N[6](C[5,5,6]C[5,5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(CCO){1|H<1>,7|C<4>}	H(C[5,5,6]C[5,5,3x6]C[5,5,6]N[6])	110.0310	0.000	1	110.4270	0.314	2	110.5747	0.068	9	110.5747	0.068	9	110.5747	0.068	9	109.4555	3.913	211
474	856	951	0:SP3_SP-NON_SP2	C[5,5,6]	N[6]	H	4:4:3:1:	4:4:3:	4:	C[5,5,3x6]-4:C[5,5,6]-4:N[6]-3:H-1:	C[5,5,6]-4:C[6]-4:C-3:	C[5,5,6]-4:	C[5,5,6](C[5,5,3x6]C[5,3x6]2C[6])(C[5,5,6]C[5,4x6]C[5,6]H)(N[6]C[6]C)(H)	N[6](C[5,5,6]C[5,5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(CCO)	H(C[5,5,6]C[5,5,3x6]C[5,5,6]N[6])	C[5,5,6](C[5,5,3x6]C[5,3x6]2C[6])(C[5,5,6]C[5,4x6]C[5,6]H)(N[6]C[6]C)(H){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	N[6](C[5,5,6]C[5,5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(CCO){1|H<1>,7|C<4>}	H(C[5,5,6]C[5,5,3x6]C[5,5,6]N[6])	110.8230	0.000	1	110.4270	0.314	2	110.5747	0.068	9	110.5747	0.068	9	110.5747	0.068	9	109.4555	3.913	211
474	856	951	0:SP3_SP-NON_SP2	C[5,5,6]	N[6]	H	4:4:3:1:	4:4:3:	4:	C[5,5,3x6]-4:C[5,5,6]-4:N[6]-3:H-1:	C[5,5,6]-4:C[6]-4:C-3:	C[5,5,6]-4:	C[5,5,6](C[5,5,3x6]C[5,3x6]2C[6])(C[5,5,6]C[5,4x6]C[5,6]H)(N[6]C[6]C)(H)	N[6](C[5,5,6]C[5,5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(COO)	H(C[5,5,6]C[5,5,3x6]C[5,5,6]N[6])	C[5,5,6](C[5,5,3x6]C[5,3x6]2C[6])(C[5,5,6]C[5,4x6]C[5,6]H)(N[6]C[6]C)(H){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	N[6](C[5,5,6]C[5,5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(COO){1|H<1>,7|C<4>}	H(C[5,5,6]C[5,5,3x6]C[5,5,6]N[6])	110.6770	0.000	1	110.6770	0.000	1	110.5747	0.068	9	110.5747	0.068	9	110.5747	0.068	9	109.4555	3.913	211
474	856	951	0:SP3_SP-NON_SP2	C[5,5,6]	N[6]	H	4:4:3:1:	4:4:3:	4:	C[5,5,3x6]-4:C[5,5,6]-4:N[6]-3:H-1:	C[5,5,6]-4:C[6]-4:C-3:	C[5,5,6]-4:	C[5,5,6](C[5,5,3x6]C[5,3x6]C[5,5,6]C[6])(C[5,5,6]C[3,5,5,6]C[5,6]H)(N[6]C[6]C)(H)	N[6](C[5,5,6]C[5,5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(COO)	H(C[5,5,6]C[5,5,3x6]C[5,5,6]N[6])	C[5,5,6](C[5,5,3x6]C[5,3x6]C[5,5,6]C[6])(C[5,5,6]C[3,5,5,6]C[5,6]H)(N[6]C[6]C)(H){1|O<2>,5|C<4>,7|H<1>}	N[6](C[5,5,6]C[5,5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(COO){2|H<1>,6|C<4>}	H(C[5,5,6]C[5,5,3x6]C[5,5,6]N[6])	110.5830	0.126	2	110.5830	0.016	2	110.5747	0.068	9	110.5747	0.068	9	110.5747	0.068	9	109.4555	3.913	211
474	856	951	0:SP3_SP-NON_SP2	C[5,5,6]	N[6]	H	4:4:3:1:	4:4:3:	4:	C[5,5,3x6]-4:C[5,5,6]-4:N[6]-3:H-1:	C[5,5,6]-4:C[6]-4:C-3:	C[5,5,6]-4:	C[5,5,6](C[5,5,3x6]C[5,3x6]C[5,6,6]C[6])(C[5,5,6]C[5,6,6]C[5,6]H)(N[6]C[6]C)(H)	N[6](C[5,5,6]C[5,5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(COO)	H(C[5,5,6]C[5,5,3x6]C[5,5,6]N[6])	C[5,5,6](C[5,5,3x6]C[5,3x6]C[5,6,6]C[6])(C[5,5,6]C[5,6,6]C[5,6]H)(N[6]C[6]C)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	N[6](C[5,5,6]C[5,5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(COO){1|C<3>,2|H<1>,5|C<4>}	H(C[5,5,6]C[5,5,3x6]C[5,5,6]N[6])	110.3470	0.000	1	110.3470	0.000	1	110.5747	0.068	9	110.5747	0.068	9	110.5747	0.068	9	109.4555	3.913	211
474	856	951	0:SP3_SP-NON_SP2	C[5,6,6]	N[6,6]	H	4:4:3:1:	4:3:4:	4:	C[5,6]-4:C[5,6]-4:N[6,6]-3:H-1:	C[5,6,6]-4:C[6]-3:C[6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]H)(N[6,6]C[6]2)(H)	N[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6,6a]O)(C[6]C[6]HH)	H(C[5,6,6]C[5,6]2N[6,6])	C[5,6,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]H)(N[6,6]C[6]2)(H){1|O<1>,4|C<3>,6|H<1>}	N[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6,6a]O)(C[6]C[6]HH){2|C<4>,3|C<3>,3|H<1>}	H(C[5,6,6]C[5,6]2N[6,6])	107.3005	0.035	2	107.3005	0.001	2	107.3005	0.001	2	107.3005	0.001	2	107.3005	0.001	2	109.4555	3.913	211
474	856	951	0:SP3_SP-NON_SP2	C[5,6,6]	N[6]	H	4:4:3:1:	4:3:1:	4:	C[5,5,6]-4:C[5,6,6]-4:N[6]-3:H-1:	C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]C[6,6a]H)(N[6]C[6]H)(H)	N[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6,6a]O)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]N[6])	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]C[6,6a]H)(N[6]C[6]H)(H){1|H<1>,1|O<1>,4|C<3>}	N[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6,6a]O)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[5,6,6]C[5,5,6]C[5,6,6]N[6])	107.4790	0.000	1	107.4790	0.000	1	107.4790	0.000	1	108.7320	3.140	2	109.5397	1.947	4	109.4555	3.913	211
474	856	951	0:SP3_SP-NON_SP2	C[5,6,6]	N[6]	H	4:4:3:1:	4:3:1:	4:	C[5,6,6]-4:C[5,5,6]-4:N[6]-3:H-1:	C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,5,6]C[6,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(N[6]C[6]H)(H)	N[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6,6a]O)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]N[6])	C[5,6,6](C[5,6,6]C[5,5,6]C[6,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(N[6]C[6]H)(H){1|O<1>,3|C<3>,4|H<1>}	N[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6,6a]O)(H){2|C<4>,2|H<1>,3|C<3>}	H(C[5,6,6]C[5,5,6]C[5,6,6]N[6])	109.9850	0.000	1	109.9850	0.000	1	109.9850	0.000	1	108.7320	3.140	2	109.5397	1.947	4	109.4555	3.913	211
474	856	951	0:SP3_SP-NON_SP2	C[5,6,6]	N[6]	H	4:4:3:1:	4:3:4:	4:	C[5,5,6]-4:C[5,6,6]-4:N[6]-3:H-1:	C[5,6,6]-4:C[6,6a]-3:S-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(N[6]C[6,6a]S)(H)	N[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(SC[6a]OO)	H(C[5,6,6]C[5,5,6]C[5,6,6]N[6])	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(N[6]C[6,6a]S)(H){1|C<4>,2|H<1>,4|C<3>}	N[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(SC[6a]OO){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]N[6])	110.5600	0.000	1	110.3475	0.090	2	110.3475	0.090	2	110.3475	0.090	2	109.5397	1.947	4	109.4555	3.913	211
474	856	951	0:SP3_SP-NON_SP2	C[5,6,6]	N[6]	H	4:4:3:1:	4:3:4:	4:	C[5,5,6]-4:C[5,6,6]-4:N[6]-3:H-1:	C[5,6,6]-4:C[6,6a]-3:S-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(N[6]C[6,6a]S)(H)	N[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(SC[6a]OO)	H(C[5,6,6]C[5,5,6]C[5,6,6]N[6])	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(N[6]C[6,6a]S)(H){3|H<1>,4|C<3>}	N[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(SC[6a]OO){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]N[6])	110.1350	0.000	1	110.3475	0.090	2	110.3475	0.090	2	110.3475	0.090	2	109.5397	1.947	4	109.4555	3.913	211
474	856	951	0:SP3_SP-NON_SP2	C[5,6]	N[6,6]	H	3:3:4:1:	4:3:3:	4:	C[5,6a]-3:N[6,6]-3:C[5,6]-4:H-1:	C[5,6]-4:C[6,6,6a]-3:C[6]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6,6]C[6,6,6a]C[6])(C[5,6]Se[6]C[5]H)(H)	N[6,6](C[5,6]C[5,6a]C[5,6]H)(C[6,6,6a]C[6,6a]2)(C[6]C[6]H)	H(C[5,6]C[5,6a]C[5,6]N[6,6])	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6,6]C[6,6,6a]C[6])(C[5,6]Se[6]C[5]H)(H){4|H<1>,5|C<3>}	N[6,6](C[5,6]C[5,6a]C[5,6]H)(C[6,6,6a]C[6,6a]2)(C[6]C[6]H){1|Se<2>,1|C<4>,2|H<1>,5|C<3>}	H(C[5,6]C[5,6a]C[5,6]N[6,6])	106.5080	0.000	1	106.5080	0.000	1	106.5080	0.000	1	106.5080	0.000	1	106.5080	0.000	1	109.4555	3.913	211
474	856	951	0:SP3_SP-NON_SP2	C[5,6]	N[6]	H	3:3:4:1:	3:4:1:	4:	N[5,6]-3:N[6]-3:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]C[5]CH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(H)	H(C[5,6]N[5,6]C[5]N[6])	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]C[5]CH)(H){1|O<1>,2|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(H){2|H<1>,3|C<3>,3|C<4>}	H(C[5,6]N[5,6]C[5]N[6])	109.5070	0.000	1	109.5070	0.000	1	110.4080	1.624	2	110.4080	1.624	2	109.8687	3.254	134	109.4555	3.913	211
474	856	951	0:SP3_SP-NON_SP2	C[5,6]	N[6]	H	3:3:4:1:	3:4:1:	4:	N[5,6]-3:N[6]-3:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]C[5]HH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(H)	H(C[5,6]N[5,6]C[5]N[6])	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]C[5]HH)(H){2|C<3>,6|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(H){1|Br<1>,2|C<3>,2|H<1>,3|C<4>}	H(C[5,6]N[5,6]C[5]N[6])	111.3090	0.000	1	111.3090	0.000	1	110.4080	1.624	2	110.4080	1.624	2	109.8687	3.254	134	109.4555	3.913	211
474	856	951	0:SP3_SP-NON_SP2	C[5,6]	N[6]	H	3:3:4:1:	3:4:4:	4:	N[5,6]-3:N[6]-3:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a]C)(C[5]S[5]CC)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(CCHH)	H(C[5,6]N[5,6]C[5]N[6])	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a]C)(C[5]S[5]CC)(H){1|O<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(CCHH){1|Br<1>,1|S<2>,3|C<3>,3|C<4>}	H(C[5,6]N[5,6]C[5]N[6])	107.1580	0.000	1	107.1580	0.000	1	107.1580	0.000	1	107.1580	0.000	1	109.8687	3.254	134	109.4555	3.913	211
474	856	951	0:SP3_SP-NON_SP2	C[5,6]	N[6]	H	3:4:3:1:	4:3:3:	4:	N[5,6]-3:C[5]-4:N[6]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,6]-4:	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(N[6]C[6a]C[6])(H)	N[6](C[5,6]N[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]O)	H(C[5,6]N[5,6]C[5]N[6])	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(N[6]C[6a]C[6])(H){1|C<4>,2|O<1>,4|C<3>}	N[6](C[5,6]N[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]O){5|C<3>,6|C<4>}	H(C[5,6]N[5,6]C[5]N[6])	106.5520	0.000	1	106.5520	0.000	1	106.5520	0.000	1	106.5520	0.000	1	109.8687	3.254	134	109.4555	3.913	211
474	856	951	0:SP3_SP-NON_SP2	C[5,6]	N[6]	H	3:4:3:1:	4:3:4:	4:	C[5,5a]-3:C[5,6]-4:N[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,5a]C[5,5a]S[5a])(C[5,6]C[6,6a]C[5]C)(N[6]C[6]C)(H)	N[6](C[5,6]C[5,5a]C[5,6]H)(C[6]C[6,6a]O)(CC[6a]HH)	H(C[5,6]C[5,5a]C[5,6]N[6])	C[5,6](C[5,5a]C[5,5a]S[5a])(C[5,6]C[6,6a]C[5]C)(N[6]C[6]C)(H){1|O<1>,2|H<1>,4|C<3>}	N[6](C[5,6]C[5,5a]C[5,6]H)(C[6]C[6,6a]O)(CC[6a]HH){1|C<4>,1|S<2>,4|C<3>}	H(C[5,6]C[5,5a]C[5,6]N[6])	105.9420	0.000	1	105.9420	0.000	1	105.9420	0.000	1	106.9190	1.909	2	109.8687	3.254	134	109.4555	3.913	211
474	856	951	0:SP3_SP-NON_SP2	C[5,6]	N[6]	H	3:4:3:1:	4:3:4:	4:	C[5,6a]-3:C[5,6]-4:N[6]-3:H-1:	C[5,6]-4:C[6]-3:S-4:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(N[6]C[6]S)(H)	N[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]C)(SC[6a]OO)	H(C[5,6]C[5,6a]C[5,6]N[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(N[6]C[6]S)(H){4|H<1>,5|C<3>}	N[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]C)(SC[6a]OO){2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6a]C[5,6]N[6])	107.8960	0.000	1	107.8960	0.000	1	107.8960	0.000	1	106.9190	1.909	2	109.8687	3.254	134	109.4555	3.913	211
474	856	951	0:SP3_SP-NON_SP2	C[5,6]	N[6]	H	3:4:3:1:	4:4:3:	4:	C[5,6]-3:C[5]-4:N[6]-3:H-1:	C[5,6]-4:C[6]-4:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(N[6]C[6]C)(H)	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(COO)	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(N[6]C[6]C)(H){1|C<4>,2|C<3>,3|H<1>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(COO){1|O<2>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]N[6])	107.6030	0.000	1	107.6030	0.000	1	107.6030	0.000	1	107.6030	0.000	1	109.8687	3.254	134	109.4555	3.913	211
474	856	951	0:SP3_SP-NON_SP2	C[5,6]	N[6]	H	4:3:2:1:	3:4:3:	4:	C[5,6]-4:N[6]-3:O[5]-2:H-1:	C[6,6a]-3:C[5,6]-4:N-3:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]H)(N[6]C[6,6a]N)(O[5]C[5,6a])(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(NCC)	H(C[5,6]C[5,6]N[6]O[5])	C[5,6](C[5,6]C[5,6a]C[6]H)(N[6]C[6,6a]N)(O[5]C[5,6a])(H){1|C<4>,1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(NCC){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	H(C[5,6]C[5,6]N[6]O[5])	109.1180	0.000	1	109.1180	0.000	1	109.1180	0.000	1	109.1180	0.000	1	109.8687	3.254	134	109.4555	3.913	211
474	856	951	0:SP3_SP-NON_SP2	C[5,6]	N[6]	H	4:3:2:1:	3:4:4:	4:	C[5,6]-4:N[6]-3:O[5]-2:H-1:	C[6,6a]-3:C[5,6]-4:S-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(N[6]C[6,6a]S)(O[5]C[5,6])(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(SC[6a]OO)	H(C[5,6]C[5,6]N[6]O[5])	C[5,6](C[5,6]C[5,6]C[6]H)(N[6]C[6,6a]S)(O[5]C[5,6])(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(SC[6a]OO){2|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]N[6]O[5])	108.9000	0.000	1	108.9000	0.000	1	108.9000	0.000	1	108.9000	0.000	1	109.8687	3.254	134	109.4555	3.913	211
474	856	951	0:SP3_SP-NON_SP2	C[5,6]	N[6]	H	4:3:2:1:	4:3:1:	4:	C[5,6,6]-4:N[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6,6a]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(N[6]C[6,6a]H)(O[5]C[5])(H)	N[6](C[5,6]C[5,6,6]O[5]H)(C[6,6a]C[6,6a]C[6a])(H)	H(C[5,6]C[5,6,6]N[6]O[5])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(N[6]C[6,6a]H)(O[5]C[5])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	N[6](C[5,6]C[5,6,6]O[5]H)(C[6,6a]C[6,6a]C[6a])(H){2|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6,6]N[6]O[5])	109.7490	0.000	1	109.7490	0.000	1	109.7490	0.000	1	109.7490	0.000	1	109.8687	3.254	134	109.4555	3.913	211
474	856	951	0:SP3_SP-NON_SP2	C[5,6]	N[6]	H	4:3:3:1:	3:4:1:	4:	C[5,6]-4:N[5]-3:N[6]-3:H-1:	C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(N[6]C[6,6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(H)	H(C[5,6]C[5,6]N[5]N[6])	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(N[6]C[6,6a]H)(H){1|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(H){1|H<1>,3|C<4>,4|C<3>}	H(C[5,6]C[5,6]N[5]N[6])	108.4000	0.000	1	108.4000	0.000	1	108.4000	0.000	1	108.4000	0.000	1	109.8687	3.254	134	109.4555	3.913	211
474	856	951	0:SP3_SP-NON_SP2	C[5,6]	N[6]	H	4:3:3:1:	3:4:3:	4:	C[5,6]-4:N[6]-3:S[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HH)(N[6]C[6,6a]C)(S[5]C[5,6]O)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]S[5]H)(COO)	H(C[5,6]C[5,6]N[6]S[5])	C[5,6](C[5,6]C[5,6,6]HH)(N[6]C[6,6a]C)(S[5]C[5,6]O)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]S[5]H)(COO){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]N[6]S[5])	110.4640	0.000	1	110.4640	0.000	1	110.4640	0.000	1	110.4640	0.000	1	109.8687	3.254	134	109.4555	3.913	211
474	856	951	0:SP3_SP-NON_SP2	C[5,6]	N[6]	H	4:3:3:1:	3:4:4:	4:	C[5,6]-4:N[5]-3:N[6]-3:H-1:	C[6,6a]-3:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(N[5]C[6a]C[5])(N[6]C[6,6a]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(CC[6a]HH)	H(C[5,6]C[5,6]N[5]N[6])	C[5,6](C[5,6]C[5,6]HH)(N[5]C[6a]C[5])(N[6]C[6,6a]C)(H){1|H<1>,6|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(CC[6a]HH){2|C<4>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]N[5]N[6])	110.7180	0.000	1	110.7180	0.000	1	110.7180	0.000	1	110.2323	0.177	3	109.8687	3.254	134	109.4555	3.913	211
474	856	951	0:SP3_SP-NON_SP2	C[5,6]	N[6]	H	4:3:3:1:	3:4:4:	4:	C[5,6]-4:N[5]-3:N[6]-3:H-1:	C[6,6a]-3:C[5,6]-4:S-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(N[6]C[6,6a]S)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(SC[6a]OO)	H(C[5,6]C[5,6]N[5]N[6])	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(N[6]C[6,6a]S)(H){1|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(SC[6a]OO){1|H<1>,2|C<4>,5|C<3>}	H(C[5,6]C[5,6]N[5]N[6])	110.0080	0.000	1	110.0080	0.000	1	109.9895	0.001	2	110.2323	0.177	3	109.8687	3.254	134	109.4555	3.913	211
474	856	951	0:SP3_SP-NON_SP2	C[5,6]	N[6]	H	4:3:3:1:	3:4:4:	4:	C[5,6]-4:N[5]-3:N[6]-3:H-1:	C[6,6a]-3:C[5,6]-4:S-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]H)(N[6]C[6,6a]S)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(SC[6a]OO)	H(C[5,6]C[5,6]N[5]N[6])	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]H)(N[6]C[6,6a]S)(H){1|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(SC[6a]OO){2|C<4>,2|H<1>,4|C<3>}	H(C[5,6]C[5,6]N[5]N[6])	109.9710	0.000	1	109.9710	0.000	1	109.9895	0.001	2	110.2323	0.177	3	109.8687	3.254	134	109.4555	3.913	211
474	856	951	0:SP3_SP-NON_SP2	C[5,6]	N[6]	H	4:3:3:1:	4:2:1:	4:	C[5,6]-4:N[5]-3:N[6]-3:H-1:	C[5,6]-4:N[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5,6]N[5]H)(N[5]C[5]C)(N[6]N[6]H)(H)	N[6](C[5,6]C[5,6]N[5]H)(N[6]C[5,6])(H)	H(C[5,6]C[5,6]N[5]N[6])	C[5,6](C[5,6]N[5,6]N[5]H)(N[5]C[5]C)(N[6]N[6]H)(H){1|C<4>,1|O<1>,2|C<3>}	N[6](C[5,6]C[5,6]N[5]H)(N[6]C[5,6])(H){1|C<3>,1|C<4>,1|H<1>,1|S<2>,2|N<3>}	H(C[5,6]C[5,6]N[5]N[6])	109.4590	0.000	1	109.4590	0.000	1	109.4590	0.000	1	109.4590	0.000	1	109.8687	3.254	134	109.4555	3.913	211
474	856	951	0:SP3_SP-NON_SP2	C[5,6]	N[6]	H	4:3:3:1:	4:3:1:	4:	C[5,6,6]-4:N[5]-3:N[6]-3:H-1:	C[5,6]-4:C[6,6a]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(N[6]C[6,6a]H)(H)	N[6](C[5,6]C[5,6,6]N[5]H)(C[6,6a]C[6,6a]C[6a])(H)	H(C[5,6]C[5,6,6]N[5]N[6])	C[5,6](C[5,6,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(N[6]C[6,6a]H)(H){2|C<4>,3|H<1>,4|C<3>}	N[6](C[5,6]C[5,6,6]N[5]H)(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,3|C<4>,4|C<3>}	H(C[5,6]C[5,6,6]N[5]N[6])	108.8680	0.532	2	108.8680	0.283	2	108.8680	0.283	2	109.0343	0.224	3	109.8687	3.254	134	109.4555	3.913	211
474	856	951	0:SP3_SP-NON_SP2	C[5,6]	N[6]	H	4:3:3:1:	4:3:1:	4:	C[5,6]-4:C[5]-3:N[6]-3:H-1:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]O)(N[6]C[6]O)(H)	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(O)	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]O)(N[6]C[6]O)(H){2|C<4>,4|C<3>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(O){1|H<1>,1|O<2>,2|C<4>,2|O<1>}	H(C[5,6]C[5,6]C[5]N[6])	109.3670	0.000	1	109.3670	0.000	1	109.3670	0.000	1	109.0343	0.224	3	109.8687	3.254	134	109.4555	3.913	211
474	856	951	0:SP3_SP-NON_SP2	C[5,6]	N[6]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[5]-3:N[6]-3:H-1:	C[5,6]-4:C[6]-3:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]H)(N[6]C[6]C)(H)	N[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]N)(COO)	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]H)(N[6]C[6]C)(H){1|N<2>,1|N<3>,5|H<1>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]N)(COO){1|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]N[6])	105.2350	0.000	1	105.2350	0.000	1	105.2350	0.000	1	105.2350	0.000	1	109.8687	3.254	134	109.4555	3.913	211
474	856	951	0:SP3_SP-NON_SP2	C[5,6]	N[6]	H	4:3:3:1:	4:3:4:	4:	C[5,5,6]-4:C[5]-3:N[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]N[5,6]C[6a])(C[5]N[5]O)(N[6]C[6]C)(H)	N[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]O)(CC[6a]HH)	H(C[5,6]C[5,5,6]C[5]N[6])	C[5,6](C[5,5,6]C[5,5]N[5,6]C[6a])(C[5]N[5]O)(N[6]C[6]C)(H){1|H<1>,1|O<1>,1|O<2>,5|C<3>}	N[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|C<4>,2|N<3>,2|O<1>}	H(C[5,6]C[5,5,6]C[5]N[6])	107.5605	0.084	2	107.5605	0.007	2	107.5605	0.007	2	107.9040	2.047	14	109.8687	3.254	134	109.4555	3.913	211
474	856	951	0:SP3_SP-NON_SP2	C[5,6]	N[6]	H	4:3:3:1:	4:3:4:	4:	C[5,6,6]-4:C[5,6a]-3:N[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6a]C[5,6a]C[6a])(N[6]C[6]C)(H)	N[6](C[5,6]C[5,6,6]C[5,6a]H)(C[6]C[6]O)(CC[6a]HH)	H(C[5,6]C[5,6,6]C[5,6a]N[6])	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6a]C[5,6a]C[6a])(N[6]C[6]C)(H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	N[6](C[5,6]C[5,6,6]C[5,6a]H)(C[6]C[6]O)(CC[6a]HH){2|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6,6]C[5,6a]N[6])	106.9280	0.000	1	106.9280	0.000	1	106.9280	0.000	1	107.9040	2.047	14	109.8687	3.254	134	109.4555	3.913	211
474	856	951	0:SP3_SP-NON_SP2	C[5,6]	N[6]	H	4:3:3:1:	4:3:4:	4:	C[5,6]-4:C[5,6a]-3:N[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(N[6]C[6]C)(H)	N[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6,6a]O)(CC[6a]HH)	H(C[5,6]C[5,6a]C[5,6]N[6])	C[5,6](C[5,6]C[6,6a]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(N[6]C[6]C)(H){1|O<1>,3|H<1>,6|C<3>}	N[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6,6a]O)(CC[6a]HH){1|C<4>,5|C<3>}	H(C[5,6]C[5,6a]C[5,6]N[6])	104.3390	0.000	1	104.3390	0.000	1	104.3390	0.000	1	107.9040	2.047	14	109.8687	3.254	134	109.4555	3.913	211
474	856	951	0:SP3_SP-NON_SP2	C[5,6]	N[6]	H	4:3:3:1:	4:3:4:	4:	C[5,6]-4:C[5]-3:N[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]H)(N[6]C[6]C)(H)	N[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]N)(CC[6a]HH)	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]H)(N[6]C[6]C)(H){1|N<2>,1|N<3>,5|H<1>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]N)(CC[6a]HH){1|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]N[6])	109.1830	0.000	1	109.1830	0.000	1	109.1830	0.000	1	107.9040	2.047	14	109.8687	3.254	134	109.4555	3.913	211
474	856	951	0:SP3_SP-NON_SP2	C[5,6]	N[6]	H	4:3:3:1:	4:3:4:	4:	C[5,6]-4:C[5]-3:N[6]-3:H-1:	C[5,6]-4:C[6]-3:S-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]H)(N[6]C[6]S)(H)	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(SC[6a]OO)	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]H)(N[6]C[6]S)(H){3|C<3>,3|H<1>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(SC[6a]OO){1|C<4>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]N[6])	107.8204	0.171	7	107.8204	0.029	7	107.8204	0.029	7	107.9040	2.047	14	109.8687	3.254	134	109.4555	3.913	211
474	856	951	0:SP3_SP-NON_SP2	C[5,6]	N[6]	H	4:3:3:1:	4:3:4:	4:	C[5,6]-4:N[5,6]-3:N[6]-3:H-1:	C[5,6]-4:C[6,6a]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]N[5,6]N[6]H)(N[5,6]C[5]C[6])(N[6]C[6,6a]C)(H)	N[6](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(CHHN)	H(C[5,6]C[5,6]N[5,6]N[6])	C[5,6](C[5,6]N[5,6]N[6]H)(N[5,6]C[5]C[6])(N[6]C[6,6a]C)(H){2|C<4>,3|C<3>,4|H<1>}	N[6](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(CHHN){2|C<3>,2|C<4>,2|H<1>,2|N<3>}	H(C[5,6]C[5,6]N[5,6]N[6])	109.6380	0.000	1	109.6380	0.000	1	109.6380	0.000	1	107.9040	2.047	14	109.8687	3.254	134	109.4555	3.913	211
474	856	951	0:SP3_SP-NON_SP2	C[5,6]	N[6]	H	4:3:3:1:	4:3:4:	4:	C[5,6]-4:N[5,6]-3:N[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(N[5,6]C[6,6a]C[5])(N[6]C[6]C)(H)	N[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6,6a]O)(CC[5a]HH)	H(C[5,6]C[5,6]N[5,6]N[6])	C[5,6](C[5,6]C[5,6]C[6]H)(N[5,6]C[6,6a]C[5])(N[6]C[6]C)(H){1|C<4>,2|O<1>,3|C<3>,3|H<1>}	N[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6,6a]O)(CC[5a]HH){1|H<1>,2|C<4>,3|C<3>}	H(C[5,6]C[5,6]N[5,6]N[6])	110.7040	0.000	1	110.7040	0.000	1	110.7040	0.000	1	107.9040	2.047	14	109.8687	3.254	134	109.4555	3.913	211
474	856	951	0:SP3_SP-NON_SP2	C[5,6]	N[6]	H	4:3:3:1:	4:4:3:	4:	C[3,5,6]-4:C[5,6a]-3:N[6]-3:H-1:	C[5,6]-4:C[6]-4:C-3:	C[5,6]-4:	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[5,6a]C[5,6a]C[6a])(N[6]C[6]C)(H)	N[6](C[5,6]C[3,5,6]C[5,6a]H)(C[6]C[6]HH)(CC[6a]O)	H(C[5,6]C[3,5,6]C[5,6a]N[6])	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[5,6a]C[5,6a]C[6a])(N[6]C[6]C)(H){4|C<3>,6|H<1>}	N[6](C[5,6]C[3,5,6]C[5,6a]H)(C[6]C[6]HH)(CC[6a]O){1|H<1>,2|C<4>,3|C<3>}	H(C[5,6]C[3,5,6]C[5,6a]N[6])	105.8350	0.000	1	105.8350	0.000	1	105.8350	0.000	1	110.7625	0.957	46	109.8687	3.254	134	109.4555	3.913	211
474	856	951	0:SP3_SP-NON_SP2	C[5,6]	N[6]	H	4:3:3:1:	4:4:3:	4:	C[5,6,6]-4:C[5]-3:N[6]-3:H-1:	C[5,6]-4:C[6]-4:C-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[5]N[5]O)(N[6]C[6]C)(H)	N[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6a]HH)(CHO)	H(C[5,6]C[5,6,6]C[5]N[6])	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[5]N[5]O)(N[6]C[6]C)(H){2|C<4>,3|C<3>,4|H<1>}	N[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6a]HH)(CHO){1|C<4>,1|N<3>,1|O<1>,3|C<3>}	H(C[5,6]C[5,6,6]C[5]N[6])	108.9270	0.000	1	108.9270	0.000	1	108.9270	0.000	1	110.7625	0.957	46	109.8687	3.254	134	109.4555	3.913	211
474	856	951	0:SP3_SP-NON_SP2	C[5,6]	N[6]	H	4:3:3:1:	4:4:3:	4:	C[5,6]-4:N[5]-3:N[6]-3:H-1:	C[5,6]-4:C[6]-4:N-3:	C[5,6]-4:	C[5,6](C[5,6]N[5]N[6]H)(N[5]C[5]N)(N[6]C[6]N)(H)	N[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(NOO)	H(C[5,6]C[5,6]N[5]N[6])	C[5,6](C[5,6]N[5]N[6]H)(N[5]C[5]N)(N[6]C[6]N)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>}	N[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(NOO){1|C<3>,3|H<1>,3|N<3>}	H(C[5,6]C[5,6]N[5]N[6])	110.1840	0.000	1	110.1840	0.000	1	110.1840	0.000	1	110.7625	0.957	46	109.8687	3.254	134	109.4555	3.913	211
474	856	951	0:SP3_SP-NON_SP2	C[5,6]	N[6]	H	4:3:3:1:	4:4:3:	4:	C[5,6]-4:N[6]-3:N[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C-3:	C[5,6]-4:	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]C)(N[5]C[5]N)(H)	N[6](C[5,6]C[5,6]N[5]H)2(CHO)	H(C[5,6]C[5,6]N[5]N[6])	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]C)(N[5]C[5]N)(H){1|C<3>,2|C<4>,2|H<1>,2|N<3>}	N[6](C[5,6]C[5,6]N[5]H)2(CHO){2|C<4>,2|H<1>,5|N<3>}	H(C[5,6]C[5,6]N[5]N[6])	110.8505	0.279	4	110.8340	0.049	8	110.7629	0.089	15	110.7625	0.957	46	109.8687	3.254	134	109.4555	3.913	211
474	856	951	0:SP3_SP-NON_SP2	C[5,6]	N[6]	H	4:3:3:1:	4:4:3:	4:	C[5,6]-4:N[6]-3:N[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C-3:	C[5,6]-4:	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]C)(N[5]C[5]N)(H)	N[6](C[5,6]C[5,6]N[5]H)2(CHO)	H(C[5,6]C[5,6]N[5]N[6])	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]C)(N[5]C[5]N)(H){2|C<4>,2|H<1>,3|N<3>}	N[6](C[5,6]C[5,6]N[5]H)2(CHO){2|C<4>,2|H<1>,5|N<3>}	H(C[5,6]C[5,6]N[5]N[6])	110.8175	0.191	4	110.8340	0.049	8	110.7629	0.089	15	110.7625	0.957	46	109.8687	3.254	134	109.4555	3.913	211
474	856	951	0:SP3_SP-NON_SP2	C[5,6]	N[6]	H	4:3:3:1:	4:4:3:	4:	C[5,6]-4:N[6]-3:N[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C-3:	C[5,6]-4:	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]C)(N[5]C[5]N)(H)	N[6](C[5,6]C[5,6]N[5]H)2(CNO)	H(C[5,6]C[5,6]N[5]N[6])	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]C)(N[5]C[5]N)(H){1|C<3>,2|C<4>,2|H<1>,2|N<3>}	N[6](C[5,6]C[5,6]N[5]H)2(CNO){2|C<4>,2|H<1>,5|N<3>}	H(C[5,6]C[5,6]N[5]N[6])	110.6817	0.369	7	110.6817	0.136	7	110.7629	0.089	15	110.7625	0.957	46	109.8687	3.254	134	109.4555	3.913	211
474	856	951	0:SP3_SP-NON_SP2	C[5,6]	N[6]	H	4:3:3:1:	4:4:3:	4:	C[5,6]-4:N[6]-3:N[5]-3:H-1:	C[5,6]-4:C[5,6]-4:N-3:	C[5,6]-4:	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]N)(N[5]C[5]N)(H)	N[6](C[5,6]C[5,6]N[5]H)2(NOO)	H(C[5,6]C[5,6]N[5]N[6])	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]N)(N[5]C[5]N)(H){1|C<3>,2|C<4>,2|H<1>,2|N<3>}	N[6](C[5,6]C[5,6]N[5]H)2(NOO){2|C<4>,2|H<1>,5|N<3>}	H(C[5,6]C[5,6]N[5]N[6])	111.5000	0.223	2	111.0244	0.442	28	111.0244	0.442	28	110.7625	0.957	46	109.8687	3.254	134	109.4555	3.913	211
474	856	951	0:SP3_SP-NON_SP2	C[5,6]	N[6]	H	4:3:3:1:	4:4:3:	4:	C[5,6]-4:N[6]-3:N[5]-3:H-1:	C[5,6]-4:C[5,6]-4:N-3:	C[5,6]-4:	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]N)(N[5]C[5]N)(H)	N[6](C[5,6]C[5,6]N[5]H)2(NOO)	H(C[5,6]C[5,6]N[5]N[6])	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]N)(N[5]C[5]N)(H){2|C<4>,2|H<1>,3|N<3>}	N[6](C[5,6]C[5,6]N[5]H)2(NOO){2|C<4>,2|H<1>,5|N<3>}	H(C[5,6]C[5,6]N[5]N[6])	110.9878	0.675	26	111.0244	0.442	28	111.0244	0.442	28	110.7625	0.957	46	109.8687	3.254	134	109.4555	3.913	211
474	856	951	0:SP3_SP-NON_SP2	C[5,6]	N[6]	H	4:3:3:1:	4:4:4:	4:	C[5,6]-4:N[6]-3:N[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]C)(N[5]C[5]C)(H)	N[6](C[5,6]C[5,6]N[5]H)2(CC[6a]HH)	H(C[5,6]C[5,6]N[5]N[6])	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]C)(N[5]C[5]C)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	N[6](C[5,6]C[5,6]N[5]H)2(CC[6a]HH){1|C<3>,2|H<1>,3|C<4>,3|N<3>}	H(C[5,6]C[5,6]N[5]N[6])	108.4570	0.000	1	108.4055	0.005	2	108.4055	0.005	2	108.4055	0.005	2	109.8687	3.254	134	109.4555	3.913	211
474	856	951	0:SP3_SP-NON_SP2	C[5,6]	N[6]	H	4:3:3:1:	4:4:4:	4:	C[5,6]-4:N[6]-3:N[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]C)(N[5]C[5]C)(H)	N[6](C[5,6]C[5,6]N[5]H)2(CC[6a]HH)	H(C[5,6]C[5,6]N[5]N[6])	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]C)(N[5]C[5]C)(H){1|N<3>,3|C<4>,3|H<1>}	N[6](C[5,6]C[5,6]N[5]H)2(CC[6a]HH){1|C<3>,2|H<1>,3|C<4>,3|N<3>}	H(C[5,6]C[5,6]N[5]N[6])	108.3540	0.000	1	108.4055	0.005	2	108.4055	0.005	2	108.4055	0.005	2	109.8687	3.254	134	109.4555	3.913	211
474	856	951	0:SP3_SP-NON_SP2	C[5,6]	N[6]	H	4:3:4:1:	3:4:1:	4:	C[5,6]-4:N[6]-3:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(N[6]C[6,6a]H)(C[5]O[5]CH)(H)	N[6](C[6,6a]N[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[5,6]HH)(N[6]C[6,6a]H)(C[5]O[5]CH)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6,6a]N[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]N[6])	111.8060	0.000	1	111.8060	0.000	1	109.7741	1.077	7	109.7741	1.077	7	109.8687	3.254	134	109.4555	3.913	211
474	856	951	0:SP3_SP-NON_SP2	C[5,6]	N[6]	H	4:3:4:1:	3:4:1:	4:	C[5,6]-4:N[6]-3:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(C[5]C[5]CH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(C[5]C[5]CH)(H){3|C<3>,5|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H){2|C<3>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[5]N[6])	109.1940	0.843	2	109.1940	0.710	2	109.7741	1.077	7	109.7741	1.077	7	109.8687	3.254	134	109.4555	3.913	211
474	856	951	0:SP3_SP-NON_SP2	C[5,6]	N[6]	H	4:3:4:1:	3:4:1:	4:	C[5,6]-4:N[6]-3:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(C[5]N[5]CH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(C[5]N[5]CH)(H){1|S<4>,3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]N[6])	109.5563	0.504	4	109.5563	0.254	4	109.7741	1.077	7	109.7741	1.077	7	109.8687	3.254	134	109.4555	3.913	211
474	856	951	0:SP3_SP-NON_SP2	C[5,6]	N[6]	H	4:3:4:1:	3:4:4:	4:	C[5,6]-4:N[6]-3:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:S-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]S)(C[5]C[5]HH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO)	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]S)(C[5]C[5]HH)(H){1|C<2>,2|C<3>,5|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO){2|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]N[6])	108.5280	0.000	1	108.5280	0.000	1	108.0495	0.458	2	108.0495	0.458	2	109.8687	3.254	134	109.4555	3.913	211
474	856	951	0:SP3_SP-NON_SP2	C[5,6]	N[6]	H	4:3:4:1:	3:4:4:	4:	C[5,6]-4:N[6]-3:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:S-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]S[6]H)(N[6]C[6,6a]S)(C[5]C[5]HH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO)	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[5]S[6]H)(N[6]C[6,6a]S)(C[5]C[5]HH)(H){2|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO){1|S<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]N[6])	107.5710	0.000	1	107.5710	0.000	1	108.0495	0.458	2	108.0495	0.458	2	109.8687	3.254	134	109.4555	3.913	211
474	856	951	0:SP3_SP-NON_SP2	C[5,6]	N[6]	H	4:3:4:1:	4:3:2:	4:	C[5,5,6]-4:N[6]-3:C[5]-4:H-1:	C[5,6]-4:C[6a]-3:C[6]-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]2)(N[6]C[6a]C[6])(C[5]C[5]HH)(H)	N[6](C[5,6]C[5,5,6]C[5]H)(C[6a]C[6a]2)(C[6]N[6])	H(C[5,6]C[5,5,6]C[5]N[6])	C[5,6](C[5,5,6]C[5,6]C[5]2)(N[6]C[6a]C[6])(C[5]C[5]HH)(H){1|N<3>,2|C<3>,2|C<4>,7|H<1>}	N[6](C[5,6]C[5,5,6]C[5]H)(C[6a]C[6a]2)(C[6]N[6]){3|C<3>,4|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5]N[6])	110.0390	1.325	2	110.0390	1.756	2	110.0390	1.756	2	110.5603	1.693	3	109.8687	3.254	134	109.4555	3.913	211
474	856	951	0:SP3_SP-NON_SP2	C[5,6]	N[6]	H	4:3:4:1:	4:3:2:	4:	C[5,6]-4:N[6]-3:C[5]-4:H-1:	C[5,6]-4:C[6a]-3:N[6]-2:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HH)(N[6]C[6a]N[6])(C[5]C[5]CH)(H)	N[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(N[6]C[6,6])	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[5,6,6]HH)(N[6]C[6a]N[6])(C[5]C[5]CH)(H){1|C<4>,2|H<1>,3|C<3>}	N[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(N[6]C[6,6]){2|C<4>,4|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]N[6])	111.6030	0.000	1	111.6030	0.000	1	111.6030	0.000	1	110.5603	1.693	3	109.8687	3.254	134	109.4555	3.913	211
474	856	951	0:SP3_SP-NON_SP2	C[5,6]	N[6]	H	4:3:4:1:	4:3:3:	4:	C[5,5,6]-4:N[6]-3:C[5]-4:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]2)(N[6]C[6a]C[6])(C[5]C[5]HH)(H)	N[6](C[5,6]C[5,5,6]C[5]H)(C[6a]C[6a]2)(C[6]N[6]B)	H(C[5,6]C[5,5,6]C[5]N[6])	C[5,6](C[5,5,6]C[5,6]C[5]2)(N[6]C[6a]C[6])(C[5]C[5]HH)(H){1|B<4>,1|N<3>,2|C<3>,2|C<4>,7|H<1>}	N[6](C[5,6]C[5,5,6]C[5]H)(C[6a]C[6a]2)(C[6]N[6]B){3|C<3>,4|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5]N[6])	109.4295	1.262	2	109.4295	1.593	2	109.5350	2.234	4	110.4686	2.476	7	109.8687	3.254	134	109.4555	3.913	211
474	856	951	0:SP3_SP-NON_SP2	C[5,6]	N[6]	H	4:3:4:1:	4:3:3:	4:	C[5,5,6]-4:N[6]-3:C[5]-4:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]2)(N[6]C[6a]C[6])(C[5]C[5]HH)(H)	N[6](C[5,6]C[5,5,6]C[5]H)(C[6a]C[6a]2)(C[6]N[6]Rh)	H(C[5,6]C[5,5,6]C[5]N[6])	C[5,6](C[5,5,6]C[5,6]C[5]2)(N[6]C[6a]C[6])(C[5]C[5]HH)(H){1|Rh<6>,1|N<3>,2|C<3>,2|C<4>,7|H<1>}	N[6](C[5,6]C[5,5,6]C[5]H)(C[6a]C[6a]2)(C[6]N[6]Rh){3|C<3>,4|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5]N[6])	109.6405	2.251	2	109.6405	5.066	2	109.5350	2.234	4	110.4686	2.476	7	109.8687	3.254	134	109.4555	3.913	211
474	856	951	0:SP3_SP-NON_SP2	C[5,6]	N[6]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:N[6]-3:C[5]-4:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]CC)(N[6]C[6a]C[6])(C[5]C[5]HH)(H)	N[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]N[6]Pd)	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[5,6]CC)(N[6]C[6a]C[6])(C[5]C[5]HH)(H){1|Pd<4>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]N[6]Pd){2|C<3>,2|H<1>,7|C<4>}	H(C[5,6]C[5,6]C[5]N[6])	111.7133	0.089	3	111.7133	0.008	3	111.7133	0.008	3	110.4686	2.476	7	109.8687	3.254	134	109.4555	3.913	211
474	856	951	0:SP3_SP-NON_SP2	C[5,6]	N[6]	H	4:3:4:1:	4:4:3:	4:	C[5,6]-4:N[6]-3:C[5]-4:H-1:	C[5,6]-4:P[6,6]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]CC)(N[6]P[6,6]C[6])(C[5]C[5]HH)(H)	N[6](C[5,6]C[5,6]C[5]H)(P[6,6]C[3x6]2Rh)(C[6]N[6]H)	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[5,6]CC)(N[6]P[6,6]C[6])(C[5]C[5]HH)(H){1|Rh<4>,1|N<3>,3|C<4>,3|H<1>}	N[6](C[5,6]C[5,6]C[5]H)(P[6,6]C[3x6]2Rh)(C[6]N[6]H){2|O<2>,3|H<1>,8|C<4>}	H(C[5,6]C[5,6]C[5]N[6])	111.4380	0.024	2	111.4380	0.001	2	111.4380	0.001	2	111.4380	0.001	2	109.8687	3.254	134	109.4555	3.913	211
474	856	951	0:SP3_SP-NON_SP2	C[5,6]	N[6]	H	4:4:3:1:	3:4:4:	4:	C[5,6]-4:C[5,6]-4:N[6]-3:H-1:	C[6,6a]-3:C[5,6]-4:S-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(N[6]C[6,6a]S)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2H)(SC[6a]OO)	H(C[5,6]C[5,6]2N[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(N[6]C[6,6a]S)(H){1|N<3>,3|C<3>,5|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2H)(SC[6a]OO){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]2N[6])	109.1960	0.000	1	109.1960	0.000	1	109.1960	0.000	1	109.1960	0.000	1	109.8687	3.254	134	109.4555	3.913	211
474	856	951	0:SP3_SP-NON_SP2	C[5,6]	N[6]	H	4:4:3:1:	4:2:3:	4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:N[6]-2:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(N[6]N[6]C)(H)	N[6](C[5,6]C[5,6]C[5]H)(N[6]C[6])(CC[6a]O)	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(N[6]N[6]C)(H){1|C<3>,1|O<1>,2|H<1>}	N[6](C[5,6]C[5,6]C[5]H)(N[6]C[6])(CC[6a]O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]N[6])	111.1700	0.000	1	111.1700	0.000	1	111.1700	0.000	1	111.1700	0.000	1	109.8687	3.254	134	109.4555	3.913	211
474	856	951	0:SP3_SP-NON_SP2	C[5,6]	N[6]	H	4:4:3:1:	4:3:1:	4:	C[3,5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[3,5,6]C[6,6a]C[3,5]C[3])(C[5]N[5]HH)(N[6]C[6]H)(H)	N[6](C[5,6]C[3,5,6]C[5]H)(C[6]C[6,6a]O)(H)	H(C[5,6]C[3,5,6]C[5]N[6])	C[5,6](C[3,5,6]C[6,6a]C[3,5]C[3])(C[5]N[5]HH)(N[6]C[6]H)(H){1|O<1>,2|H<1>,4|C<3>}	N[6](C[5,6]C[3,5,6]C[5]H)(C[6]C[6,6a]O)(H){1|C<3>,1|N<2>,1|N<3>,2|C<4>,2|H<1>}	H(C[5,6]C[3,5,6]C[5]N[6])	110.7810	0.000	1	110.7810	0.000	1	110.7810	0.000	1	110.7864	0.734	10	109.8687	3.254	134	109.4555	3.913	211
474	856	951	0:SP3_SP-NON_SP2	C[5,6]	N[6]	H	4:4:3:1:	4:3:1:	4:	C[5,6]-4:C[5,5]-4:N[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5a,6]C[5]H)(C[5,5]C[5,5]N[5]H)(N[6]C[6]H)(H)	N[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[5a,6]O)(H)	H(C[5,6]C[5,5]C[5,6]N[6])	C[5,6](C[5,6]N[5a,6]C[5]H)(C[5,5]C[5,5]N[5]H)(N[6]C[6]H)(H){1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	N[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[5a,6]O)(H){1|C<3>,2|C<4>,2|H<1>,2|N<3>}	H(C[5,6]C[5,5]C[5,6]N[6])	111.2558	0.558	4	111.2558	0.311	4	111.2558	0.311	4	110.7864	0.734	10	109.8687	3.254	134	109.4555	3.913	211
474	856	951	0:SP3_SP-NON_SP2	C[5,6]	N[6]	H	4:4:3:1:	4:3:1:	4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5]C[5,6a]HH)(N[6]C[6]H)(H)	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]O)(H)	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5]C[5,6a]HH)(N[6]C[6]H)(H){1|O<1>,4|C<3>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]O)(H){3|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[5]N[6])	110.8250	0.000	1	110.8250	0.000	1	110.4120	1.022	5	110.7864	0.734	10	109.8687	3.254	134	109.4555	3.913	211
474	856	951	0:SP3_SP-NON_SP2	C[5,6]	N[6]	H	4:4:3:1:	4:3:1:	4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(N[6]C[6]H)(H)	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]O)(H)	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(N[6]C[6]H)(H){1|O<1>,2|C<3>,2|H<1>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]O)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]N[6])	111.5590	0.000	1	111.5590	0.000	1	110.4120	1.022	5	110.7864	0.734	10	109.8687	3.254	134	109.4555	3.913	211
474	856	951	0:SP3_SP-NON_SP2	C[5,6]	N[6]	H	4:4:3:1:	4:3:1:	4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HO)(N[6]C[6]H)(H)	N[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]O)(H)	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HO)(N[6]C[6]H)(H){1|O<1>,1|O<2>,1|S<4>,4|H<1>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]O)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]N[6])	109.7235	1.273	2	109.7235	1.622	2	110.4120	1.022	5	110.7864	0.734	10	109.8687	3.254	134	109.4555	3.913	211
474	856	951	0:SP3_SP-NON_SP2	C[5,6]	N[6]	H	4:4:3:1:	4:3:1:	4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]CH)(N[6]C[6]H)(H)	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]CH)(N[6]C[6]H)(H){1|C<4>,2|H<1>,2|O<1>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]N[6])	110.2290	0.000	1	110.2290	0.000	1	110.4120	1.022	5	110.7864	0.734	10	109.8687	3.254	134	109.4555	3.913	211
474	856	951	0:SP3_SP-NON_SP2	C[5,6]	N[6]	H	4:4:3:1:	4:3:3:	4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:C[6]-3:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(N[6]C[6]C)(H)	N[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]S)(CC[6a]O)	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(N[6]C[6]C)(H){1|N<2>,1|S<2>,2|C<3>,4|H<1>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]S)(CC[6a]O){3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]N[6])	109.8680	0.000	1	109.8680	0.000	1	109.8680	0.000	1	109.8680	0.000	1	109.8687	3.254	134	109.4555	3.913	211
474	856	951	0:SP3_SP-NON_SP2	C[5,6]	N[6]	H	4:4:3:1:	4:3:4:	4:	C[5,5]-4:C[5,6]-4:N[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[3,6]O[5]H)(N[6]C[6]C)(H)	N[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[3,6]O)(CC[6a]HH)	H(C[5,6]C[5,5]C[5,6]N[6])	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[3,6]O[5]H)(N[6]C[6]C)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	N[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[3,6]O)(CC[6a]HH){2|C<4>,3|H<1>,3|O<2>}	H(C[5,6]C[5,5]C[5,6]N[6])	107.8230	0.000	1	107.8230	0.000	1	107.8230	0.000	1	111.2438	1.423	11	109.8687	3.254	134	109.4555	3.913	211
474	856	951	0:SP3_SP-NON_SP2	C[5,6]	N[6]	H	4:4:3:1:	4:3:4:	4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(H)	N[6](C[5,6]C[5,6]C[5]H)(C[6]B[6,6]N[6])(CCHH)	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(H){1|B<3>,1|C<4>,1|N<3>,2|H<1>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]B[6,6]N[6])(CCHH){2|H<1>,7|C<4>}	H(C[5,6]C[5,6]C[5]N[6])	111.7035	0.194	2	111.4367	0.233	3	111.5859	0.151	10	111.2438	1.423	11	109.8687	3.254	134	109.4555	3.913	211
474	856	951	0:SP3_SP-NON_SP2	C[5,6]	N[6]	H	4:4:3:1:	4:3:4:	4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(H)	N[6](C[5,6]C[5,6]C[5]H)(C[6]B[6,6]N[6])(CCHH)	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(H){1|B<4>,1|C<4>,1|N<3>,2|H<1>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]B[6,6]N[6])(CCHH){3|H<1>,7|C<4>}	H(C[5,6]C[5,6]C[5]N[6])	110.9030	0.000	1	111.4367	0.233	3	111.5859	0.151	10	111.2438	1.423	11	109.8687	3.254	134	109.4555	3.913	211
474	856	951	0:SP3_SP-NON_SP2	C[5,6]	N[6]	H	4:4:3:1:	4:3:4:	4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(H)	N[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]B)(CH3)	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(H){1|B<4>,1|C<4>,1|N<3>,2|H<1>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]B)(CH3){2|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[5]N[6])	111.3840	0.000	1	111.3840	0.000	1	111.5859	0.151	10	111.2438	1.423	11	109.8687	3.254	134	109.4555	3.913	211
474	856	951	0:SP3_SP-NON_SP2	C[5,6]	N[6]	H	4:4:3:1:	4:3:4:	4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(H)	N[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]H)(CC[6a]CH)	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(H){1|C<4>,1|N<3>,3|H<1>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]H)(CC[6a]CH){2|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[5]N[6])	111.5500	0.016	2	111.5500	0.000	2	111.5859	0.151	10	111.2438	1.423	11	109.8687	3.254	134	109.4555	3.913	211
474	856	951	0:SP3_SP-NON_SP2	C[5,6]	N[6]	H	4:4:3:1:	4:3:4:	4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(H)	N[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]H)(CC[6a]HH)	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(H){1|C<4>,1|N<3>,3|H<1>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]H)(CC[6a]HH){2|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[5]N[6])	111.6947	0.545	3	111.6947	0.297	3	111.5859	0.151	10	111.2438	1.423	11	109.8687	3.254	134	109.4555	3.913	211
474	856	951	0:SP3_SP-NON_SP2	C[5,6]	N[6]	H	4:4:3:1:	4:3:4:	4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(H)	N[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]Ni)(CC[6]CH)	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(H){1|Ni<4>,1|C<4>,1|N<3>,2|H<1>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]Ni)(CC[6]CH){2|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[5]N[6])	111.9810	0.000	1	111.9810	0.000	1	111.5859	0.151	10	111.2438	1.423	11	109.8687	3.254	134	109.4555	3.913	211
474	856	951	0:SP3_SP-NON_SP2	C[5,6]	N[6]	H	4:4:3:1:	4:4:3:	4:	C[5,5,6]-4:C[5,6]-4:N[6]-3:H-1:	C[5,6]-4:C[6]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(N[6]C[6]2)(H)	N[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]HH)(C[6]C[6]O)	H(C[5,6]C[5,5,6]C[5,6]N[6])	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(N[6]C[6]2)(H){1|O<1>,3|C<4>,7|H<1>}	N[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]HH)(C[6]C[6]O){1|N<3>,4|H<1>,6|C<4>}	H(C[5,6]C[5,5,6]C[5,6]N[6])	103.9400	0.000	1	103.9400	0.000	1	105.1223	1.142	3	107.2344	8.751	7	109.8687	3.254	134	109.4555	3.913	211
474	856	951	0:SP3_SP-NON_SP2	C[5,6]	N[6]	H	4:4:3:1:	4:4:3:	4:	C[5,5,6]-4:C[5,6]-4:N[6]-3:H-1:	C[5,6]-4:C[6]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(N[6]C[6]2)(H)	N[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]HH)(C[6]N[6]Pd)	H(C[5,6]C[5,5,6]C[5,6]N[6])	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(N[6]C[6]2)(H){1|Pd<4>,1|N<3>,4|C<4>,5|H<1>}	N[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]HH)(C[6]N[6]Pd){4|H<1>,6|C<4>}	H(C[5,6]C[5,5,6]C[5,6]N[6])	105.7135	0.433	2	105.7135	0.188	2	105.1223	1.142	3	107.2344	8.751	7	109.8687	3.254	134	109.4555	3.913	211
474	856	951	0:SP3_SP-NON_SP2	C[5,6]	N[6]	H	4:4:3:1:	4:4:3:	4:	C[5,6,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:C[6]-4:C-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(N[6]C[6]C)(H)	N[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CC[6a]O)	H(C[5,6]C[5,6,6]C[5]N[6])	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(N[6]C[6]C)(H){1|O<1>,3|C<4>,7|H<1>}	N[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CC[6a]O){1|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[5]N[6])	106.2710	0.000	1	106.2710	0.000	1	106.2710	0.000	1	107.2344	8.751	7	109.8687	3.254	134	109.4555	3.913	211
474	856	951	0:SP3_SP-NON_SP2	C[5,6]	N[6]	H	4:4:3:1:	4:4:3:	4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:C[6]-4:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]HH)(N[6]C[6]C)(H)	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CC[6a]O)	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]HH)(N[6]C[6]C)(H){3|C<4>,4|H<1>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CC[6a]O){1|O<2>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]N[6])	107.9340	0.342	2	107.9340	0.117	2	109.6677	9.075	3	107.2344	8.751	7	109.8687	3.254	134	109.4555	3.913	211
474	856	951	0:SP3_SP-NON_SP2	C[5,6]	N[6]	H	4:4:3:1:	4:4:3:	4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:C[6]-4:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,6]CH)(N[6]C[6]C)(H)	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CC[6a]O)	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,6]CH)(N[6]C[6]C)(H){3|C<3>,4|H<1>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CC[6a]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]N[6])	113.1350	0.000	1	113.1350	0.000	1	109.6677	9.075	3	107.2344	8.751	7	109.8687	3.254	134	109.4555	3.913	211
474	856	951	0:SP3_SP-NON_SP2	C[5]	N[6]	H	3:3:3:1:	3:4:3:	4:	C[5]-3:C[5]-3:N[6]-3:H-1:	C[6]-3:C[5]-4:C[6]-3:	C[5]-4:	C[5](C[5]C[5,6a]O)2(N[6]C[6]2)(H)	N[6](C[6]C[6,6a]O)(C[5]C[5]2H)(C[6]C[6]O)	H(C[5]C[5]2N[6])	C[5](C[5]C[5,6a]O)2(N[6]C[6]2)(H){2|O<1>,4|C<3>}	N[6](C[6]C[6,6a]O)(C[5]C[5]2H)(C[6]C[6]O){3|O<1>,4|C<3>}	H(C[5]C[5]2N[6])	107.8500	0.000	1	107.8500	0.000	1	107.8500	0.000	1	107.8500	0.000	1	108.4321	4.601	59	109.4555	3.913	211
474	856	951	0:SP3_SP-NON_SP2	C[5]	N[6]	H	3:3:3:1:	4:4:3:	4:	C[5,6a]-3:C[5,6a]-3:N[6]-3:H-1:	C[5]-4:C[6]-4:C[6]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(N[6]C[6]2)(H)	N[6](C[5]C[5,6a]2H)(C[6]C[6,6]HH)(C[6]C[6]O)	H(C[5]C[5,6a]2N[6])	C[5](C[5,6a]C[5,6a]C[6a])2(N[6]C[6]2)(H){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	N[6](C[5]C[5,6a]2H)(C[6]C[6,6]HH)(C[6]C[6]O){2|H<1>,2|O<2>,5|C<3>}	H(C[5]C[5,6a]2N[6])	109.2120	0.000	1	109.2120	0.000	1	109.2120	0.000	1	109.2120	0.000	1	108.4321	4.601	59	109.4555	3.913	211
474	856	951	0:SP3_SP-NON_SP2	C[5]	N[6]	H	3:4:2:1:	3:4:3:	4:	N[6]-3:C[5]-4:O[5]-2:H-1:	C[6,6]-3:C[5]-4:C[6]-3:	C[5]-4:	C[5](N[6]C[6,6]C[6])(C[5]C[5]HO)(O[5]C[5])(H)	N[6](C[6,6]C[6,6]N[6])(C[5]C[5]O[5]H)(C[6]N[6]H)	H(C[5]C[5]N[6]O[5])	C[5](N[6]C[6,6]C[6])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,2|N<2>,4|H<1>}	N[6](C[6,6]C[6,6]N[6])(C[5]C[5]O[5]H)(C[6]N[6]H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[5]C[5]N[6]O[5])	109.8210	0.000	1	109.8210	0.000	1	109.8210	0.000	1	109.8210	0.000	1	108.4321	4.601	59	109.4555	3.913	211
474	856	951	0:SP3_SP-NON_SP2	C[5]	N[6]	H	3:4:4:1:	3:3:4:	4:	N[6]-3:C[5]-4:C[5]-4:H-1:	C[6,6a]-3:C[6,6a]-3:C[5]-4:	C[5]-4:	C[5](N[6]C[6,6a]2)(C[5]C[5]HH)(C[5]C[5]HO)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5]2H)	H(C[5]C[5]2N[6])	C[5](N[6]C[6,6a]2)(C[5]C[5]HH)(C[5]C[5]HO)(H){4|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5]2H){1|O<2>,2|C<4>,5|C<3>,5|H<1>}	H(C[5]C[5]2N[6])	96.4523	0.000	1	96.4523	0.000	1	96.4523	0.000	1	96.4523	0.000	1	108.4321	4.601	59	109.4555	3.913	211
474	856	951	0:SP3_SP-NON_SP2	C[5]	N[6]	H	4:2:3:1:	4:3:3:	4:	C[5]-4:O[5]-2:N[6]-3:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[5]-4:	C[5](C[5]C[3,5]HH)(O[5]C[3,5])(N[6]C[6]2)(H)	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O)	H(C[5]C[5]N[6]O[5])	C[5](C[5]C[3,5]HH)(O[5]C[3,5])(N[6]C[6]2)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O){1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5]N[6]O[5])	108.7810	0.000	1	108.7810	0.000	1	108.8680	0.015	2	108.8680	0.015	2	108.4321	4.601	59	109.4555	3.913	211
474	856	951	0:SP3_SP-NON_SP2	C[5]	N[6]	H	4:2:3:1:	4:3:3:	4:	C[5]-4:O[5]-2:N[6]-3:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(N[6]C[6]2)(H)	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O)	H(C[5]C[5]N[6]O[5])	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(N[6]C[6]2)(H){1|C<3>,1|H<1>,1|N<2>,1|O<1>,1|O<2>,3|C<4>}	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O){1|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5]N[6]O[5])	108.9550	0.000	1	108.9550	0.000	1	108.8680	0.015	2	108.8680	0.015	2	108.4321	4.601	59	109.4555	3.913	211
474	856	951	0:SP3_SP-NON_SP2	C[5]	N[6]	H	4:3:2:1:	4:3:2:	4:	C[5]-4:N[6]-3:O[5]-2:H-1:	C[5]-4:C[6]-3:C[6]-2:	C[5]-4:	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H)	N[6](C[5]C[5]O[5]H)(C[6]N[6]O)(C[6]C[6])	H(C[5]C[5]N[6]O[5])	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|H<1>}	N[6](C[5]C[5]O[5]H)(C[6]N[6]O)(C[6]C[6]){1|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5]N[6]O[5])	105.2750	0.000	1	105.2750	0.000	1	105.2750	0.000	1	105.2750	0.000	1	108.4321	4.601	59	109.4555	3.913	211
474	856	951	0:SP3_SP-NON_SP2	C[5]	N[6]	H	4:3:2:1:	4:3:3:	4:	C[5,5]-4:N[6]-3:O[5]-2:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[6]C[6]2)(O[5]C[5])(H)	N[6](C[5]C[5,5]O[5]H)(C[6]C[6]H)(C[6]N[6]O)	H(C[5]C[5,5]N[6]O[5])	C[5](C[5,5]C[5,5]O[5]H)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|N<2>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	N[6](C[5]C[5,5]O[5]H)(C[6]C[6]H)(C[6]N[6]O){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[5,5]N[6]O[5])	107.5940	0.000	1	107.5940	0.000	1	107.5940	0.000	1	108.7656	2.447	43	108.4321	4.601	59	109.4555	3.913	211
474	856	951	0:SP3_SP-NON_SP2	C[5]	N[6]	H	4:3:2:1:	4:3:3:	4:	C[5]-4:N[6]-3:O[5]-2:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[5]-4:	C[5](C[5]C[5]FF)(N[6]C[6]2)(O[5]C[5])(H)	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O)	H(C[5]C[5]N[6]O[5])	C[5](C[5]C[5]FF)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O){1|C<3>,2|C<4>,2|F<1>,2|H<1>}	H(C[5]C[5]N[6]O[5])	109.6970	0.000	1	109.5205	0.062	2	108.7935	2.473	42	108.7656	2.447	43	108.4321	4.601	59	109.4555	3.913	211
474	856	951	0:SP3_SP-NON_SP2	C[5]	N[6]	H	4:3:2:1:	4:3:3:	4:	C[5]-4:N[6]-3:O[5]-2:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[5]-4:	C[5](C[5]C[5]FF)(N[6]C[6]2)(O[5]C[5])(H)	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O)	H(C[5]C[5]N[6]O[5])	C[5](C[5]C[5]FF)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O){1|C<3>,2|C<4>,2|F<1>,2|H<1>}	H(C[5]C[5]N[6]O[5])	109.3440	0.000	1	109.5205	0.062	2	108.7935	2.473	42	108.7656	2.447	43	108.4321	4.601	59	109.4555	3.913	211
474	856	951	0:SP3_SP-NON_SP2	C[5]	N[6]	H	4:3:2:1:	4:3:3:	4:	C[5]-4:N[6]-3:O[5]-2:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[5]-4:	C[5](C[5]C[5]FH)(N[6]C[6]2)(O[5]C[5])(H)	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O)	H(C[5]C[5]N[6]O[5])	C[5](C[5]C[5]FH)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|F<1>,1|N<2>,1|O<1>,3|H<1>}	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O){1|C<3>,1|F<1>,1|H<1>,3|C<4>}	H(C[5]C[5]N[6]O[5])	109.0410	0.000	1	109.0410	0.000	1	108.7935	2.473	42	108.7656	2.447	43	108.4321	4.601	59	109.4555	3.913	211
474	856	951	0:SP3_SP-NON_SP2	C[5]	N[6]	H	4:3:2:1:	4:3:3:	4:	C[5]-4:N[6]-3:O[5]-2:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H)	N[6](C[5]C[5]O[5]H)(C[6]C[6]C)(C[6]C[6]H)	H(C[5]C[5]N[6]O[5])	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	N[6](C[5]C[5]O[5]H)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5]N[6]O[5])	109.4940	0.000	1	109.4940	0.000	1	108.7935	2.473	42	108.7656	2.447	43	108.4321	4.601	59	109.4555	3.913	211
474	856	951	0:SP3_SP-NON_SP2	C[5]	N[6]	H	4:3:2:1:	4:3:3:	4:	C[5]-4:N[6]-3:O[5]-2:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H)	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O)	H(C[5]C[5]N[6]O[5])	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>,3|H<1>}	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O){1|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5]N[6]O[5])	109.7410	0.000	1	108.5595	6.829	10	108.7935	2.473	42	108.7656	2.447	43	108.4321	4.601	59	109.4555	3.913	211
474	856	951	0:SP3_SP-NON_SP2	C[5]	N[6]	H	4:3:2:1:	4:3:3:	4:	C[5]-4:N[6]-3:O[5]-2:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H)	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O)	H(C[5]C[5]N[6]O[5])	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,3|H<1>}	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O){1|C<3>,1|F<1>,2|C<4>,2|H<1>}	H(C[5]C[5]N[6]O[5])	109.2890	0.000	1	108.5595	6.829	10	108.7935	2.473	42	108.7656	2.447	43	108.4321	4.601	59	109.4555	3.913	211
474	856	951	0:SP3_SP-NON_SP2	C[5]	N[6]	H	4:3:2:1:	4:3:3:	4:	C[5]-4:N[6]-3:O[5]-2:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H)	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O)	H(C[5]C[5]N[6]O[5])	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,3|H<1>}	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O){1|C<3>,2|H<1>,3|C<4>}	H(C[5]C[5]N[6]O[5])	109.7340	0.000	1	108.5595	6.829	10	108.7935	2.473	42	108.7656	2.447	43	108.4321	4.601	59	109.4555	3.913	211
474	856	951	0:SP3_SP-NON_SP2	C[5]	N[6]	H	4:3:2:1:	4:3:3:	4:	C[5]-4:N[6]-3:O[5]-2:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H)	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O)	H(C[5]C[5]N[6]O[5])	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,3|H<1>}	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O){2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]N[6]O[5])	103.6140	0.000	1	108.5595	6.829	10	108.7935	2.473	42	108.7656	2.447	43	108.4321	4.601	59	109.4555	3.913	211
474	856	951	0:SP3_SP-NON_SP2	C[5]	N[6]	H	4:3:2:1:	4:3:3:	4:	C[5]-4:N[6]-3:O[5]-2:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H)	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O)	H(C[5]C[5]N[6]O[5])	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O){1|B<4>,1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5]N[6]O[5])	103.6240	0.000	1	108.5595	6.829	10	108.7935	2.473	42	108.7656	2.447	43	108.4321	4.601	59	109.4555	3.913	211
474	856	951	0:SP3_SP-NON_SP2	C[5]	N[6]	H	4:3:2:1:	4:3:3:	4:	C[5]-4:N[6]-3:O[5]-2:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H)	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O)	H(C[5]C[5]N[6]O[5])	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O){1|Os<8>,3|C<4>,3|H<1>}	H(C[5]C[5]N[6]O[5])	109.6470	0.000	1	108.5595	6.829	10	108.7935	2.473	42	108.7656	2.447	43	108.4321	4.601	59	109.4555	3.913	211
474	856	951	0:SP3_SP-NON_SP2	C[5]	N[6]	H	4:3:2:1:	4:3:3:	4:	C[5]-4:N[6]-3:O[5]-2:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H)	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O)	H(C[5]C[5]N[6]O[5])	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O){1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5]N[6]O[5])	109.9865	0.050	4	108.5595	6.829	10	108.7935	2.473	42	108.7656	2.447	43	108.4321	4.601	59	109.4555	3.913	211
474	856	951	0:SP3_SP-NON_SP2	C[5]	N[6]	H	4:3:2:1:	4:3:3:	4:	C[5]-4:N[6]-3:O[5]-2:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[5]-4:	C[5](C[5]C[5]HO)(N[6]C[6]2)(O[5]C[5])(H)	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O)	H(C[5]C[5]N[6]O[5])	C[5](C[5]C[5]HO)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[5]N[6]O[5])	109.7370	0.000	1	109.7370	0.000	1	108.7935	2.473	42	108.7656	2.447	43	108.4321	4.601	59	109.4555	3.913	211
474	856	951	0:SP3_SP-NON_SP2	C[5]	N[6]	H	4:3:2:1:	4:3:3:	4:	C[5]-4:N[6]-3:O[5]-2:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[5]-4:	C[5](C[5]C[5]HO)(N[6]C[6]2)(O[5]C[5])(H)	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)2	H(C[5]C[5]N[6]O[5])	C[5](C[5]C[5]HO)(N[6]C[6]2)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[5]N[6]O[5])	106.4305	0.831	2	106.4305	0.690	2	108.7935	2.473	42	108.7656	2.447	43	108.4321	4.601	59	109.4555	3.913	211
474	856	951	0:SP3_SP-NON_SP2	C[5]	N[6]	H	4:3:2:1:	4:3:3:	4:	C[5]-4:N[6]-3:O[5]-2:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[5]-4:	C[5](C[5]S[5]HH)(N[6]C[6]2)(O[5]C[5])(H)	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O)	H(C[5]C[5]N[6]O[5])	C[5](C[5]S[5]HH)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O){1|C<3>,1|C<4>,1|S<2>,4|H<1>}	H(C[5]C[5]N[6]O[5])	108.9423	1.008	25	108.9423	1.016	25	108.7935	2.473	42	108.7656	2.447	43	108.4321	4.601	59	109.4555	3.913	211
474	856	951	0:SP3_SP-NON_SP2	C[5]	N[6]	H	4:3:2:1:	4:4:3:	4:	C[5,5]-4:N[6]-3:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[6]C[5,6]C[6])(O[5]C[5])(H)	N[6](C[5,6]C[5]C[6]O[5])(C[5]C[5,5]O[5]H)(C[6]N[6]O)	H(C[5]C[5,5]N[6]O[5])	C[5](C[5,5]C[5,5]O[5]H)(N[6]C[5,6]C[6])(O[5]C[5])(H){1|N<3>,1|O<1>,2|H<1>,2|O<2>,4|C<4>}	N[6](C[5,6]C[5]C[6]O[5])(C[5]C[5,5]O[5]H)(C[6]N[6]O){1|C<3>,3|C<4>,3|O<2>,5|H<1>}	H(C[5]C[5,5]N[6]O[5])	108.5040	0.000	1	108.5040	0.000	1	108.5040	0.000	1	108.4094	0.229	7	108.4321	4.601	59	109.4555	3.913	211
474	856	951	0:SP3_SP-NON_SP2	C[5]	N[6]	H	4:3:2:1:	4:4:3:	4:	C[5,5]-4:N[6]-3:O[5]-2:H-1:	C[5]-4:C[6]-4:C[6]-3:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[6]C[6]2)(O[5]C[5])(H)	N[6](C[5]C[5,5]O[5]H)(C[6]C[6]HN)(C[6]N[6]O)	H(C[5]C[5,5]N[6]O[5])	C[5](C[5,5]C[5,5]O[5]H)(N[6]C[6]2)(O[5]C[5])(H){1|O<1>,1|O<2>,2|N<3>,3|C<4>,3|H<1>}	N[6](C[5]C[5,5]O[5]H)(C[6]C[6]HN)(C[6]N[6]O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5,5]N[6]O[5])	108.5380	0.000	1	108.5380	0.000	1	108.2897	0.526	3	108.4094	0.229	7	108.4321	4.601	59	109.4555	3.913	211
474	856	951	0:SP3_SP-NON_SP2	C[5]	N[6]	H	4:3:2:1:	4:4:3:	4:	C[5,5]-4:N[6]-3:O[5]-2:H-1:	C[5]-4:C[6]-4:C[6]-3:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[6]C[6]2)(O[5]C[5])(H)	N[6](C[5]C[5,5]O[5]H)(C[6]C[6]HS)(C[6]N[6]O)	H(C[5]C[5,5]N[6]O[5])	C[5](C[5,5]C[5,5]O[5]H)(N[6]C[6]2)(O[5]C[5])(H){1|N<3>,1|O<1>,1|O<2>,1|S<2>,3|C<4>,3|H<1>}	N[6](C[5]C[5,5]O[5]H)(C[6]C[6]HS)(C[6]N[6]O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[5,5]N[6]O[5])	108.1655	0.979	2	108.1655	0.959	2	108.2897	0.526	3	108.4094	0.229	7	108.4321	4.601	59	109.4555	3.913	211
474	856	951	0:SP3_SP-NON_SP2	C[5]	N[6]	H	4:3:2:1:	4:4:3:	4:	C[5]-4:N[6]-3:O[5]-2:H-1:	C[6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H)	N[6](C[6]C[6a]C[6]H)(C[5]C[5]O[5]H)(C[6]N[6]O)	H(C[5]C[5]N[6]O[5])	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	N[6](C[6]C[6a]C[6]H)(C[5]C[5]O[5]H)(C[6]N[6]O){1|O<2>,2|H<1>,3|C<3>,4|C<4>}	H(C[5]C[5]N[6]O[5])	108.9010	0.000	1	108.4977	0.122	3	108.4977	0.122	3	108.4094	0.229	7	108.4321	4.601	59	109.4555	3.913	211
474	856	951	0:SP3_SP-NON_SP2	C[5]	N[6]	H	4:3:2:1:	4:4:3:	4:	C[5]-4:N[6]-3:O[5]-2:H-1:	C[6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H)	N[6](C[6]C[6a]C[6]H)(C[5]C[5]O[5]H)(C[6]N[6]O)	H(C[5]C[5]N[6]O[5])	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	N[6](C[6]C[6a]C[6]H)(C[5]C[5]O[5]H)(C[6]N[6]O){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5]N[6]O[5])	108.2960	0.011	2	108.4977	0.122	3	108.4977	0.122	3	108.4094	0.229	7	108.4321	4.601	59	109.4555	3.913	211
474	856	951	0:SP3_SP-NON_SP2	C[5]	N[6]	H	4:4:3:1:	3:4:4:	4:	C[5]-4:C[5]-4:N[6]-3:H-1:	C[6]-3:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5]C[5]HH)2(N[6]C[6]2)(H)	N[6](C[6]C[6,6]O)(C[5]C[5]2H)(C[6]C[6]HH)	H(C[5]C[5]2N[6])	C[5](C[5]C[5]HH)2(N[6]C[6]2)(H){1|C<3>,1|C<4>,1|O<1>,6|H<1>}	N[6](C[6]C[6,6]O)(C[5]C[5]2H)(C[6]C[6]HH){1|N<3>,1|O<1>,3|C<4>,5|H<1>}	H(C[5]C[5]2N[6])	107.5080	0.000	1	107.5080	0.000	1	107.5080	0.000	1	107.5080	0.000	1	108.4321	4.601	59	109.4555	3.913	211
474	856	951	0:SP3_SP-NON_SP2	C[5]	N[6]	H	4:4:3:1:	4:3:3:	4:	C[5]-4:C[5]-4:N[6]-3:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[5]-4:	C[5](C[5]C[5]HH)2(N[6]C[6]2)(H)	N[6](C[5]C[5]2H)(C[6]C[6]H)2	H(C[5]C[5]2N[6])	C[5](C[5]C[5]HH)2(N[6]C[6]2)(H){2|C<3>,6|H<1>}	N[6](C[5]C[5]2H)(C[6]C[6]H)2{1|C<3>,2|C<4>,6|H<1>}	H(C[5]C[5]2N[6])	107.8520	0.000	1	107.8520	0.000	1	107.8520	0.000	1	107.8520	0.000	1	108.4321	4.601	59	109.4555	3.913	211
474	856	951	0:SP3_SP-NON_SP3	C[5,3x6]	N[4x6]	H	4:3:4:1:	4:4:4:	4:	C[5,6,6]-4:N[4x6]-3:C[5,6]-4:H-1:	C[5,3x6]-4:C[3x6]-4:C[6,6]-4:	C[5,3x6]-4:	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(N[4x6]C[3x6]C[6,6])(C[5,6]C[5,5,6]HH)(H)	N[4x6](C[5,3x6]C[5,6,6]C[5,6]H)(C[3x6]C[5,6]C[6,6]H)(C[6,6]C[6,6]CH)	H(C[5,3x6]C[5,6,6]C[5,6]N[4x6])	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(N[4x6]C[3x6]C[6,6])(C[5,6]C[5,5,6]HH)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	N[4x6](C[5,3x6]C[5,6,6]C[5,6]H)(C[3x6]C[5,6]C[6,6]H)(C[6,6]C[6,6]CH){1|N<2>,4|C<4>,6|H<1>}	H(C[5,3x6]C[5,6,6]C[5,6]N[4x6])	110.5130	0.000	1	110.5130	0.000	1	110.5130	0.000	1	110.5130	0.000	1	110.5130	0.000	1	109.4897	2.303	192
474	856	951	0:SP3_SP-NON_SP3	C[5,3x6]	N[6,6]	H	4:4:3:1:	4:4:4:	4:	N[5,6,6]-4:N[5,6,6]-4:N[6,6]-3:H-1:	C[5,3x6]-4:C[6]-4:C[6]-4:	C[5,3x6]-4:	C[5,3x6](N[5,6,6]C[5]C[6]2)2(N[6,6]C[6]2)(H)	N[6,6](C[5,3x6]N[5,6,6]2H)(C[6]C[6]HH)2	H(C[5,3x6]N[5,6,6]2N[6,6])	C[5,3x6](N[5,6,6]C[5]C[6]2)2(N[6,6]C[6]2)(H){16|H<1>,3|C<4>}	N[6,6](C[5,3x6]N[5,6,6]2H)(C[6]C[6]HH)2{4|H<1>,6|C<4>}	H(C[5,3x6]N[5,6,6]2N[6,6])	112.0630	0.229	2	112.0630	0.052	2	112.0630	0.052	2	112.0630	0.052	2	112.0630	0.052	2	109.4897	2.303	192
474	856	951	0:SP3_SP-NON_SP3	C[5,5,6]	N[6]	H	4:4:3:1:	4:4:3:	4:	C[5,5,3x6]-4:C[5,5,6]-4:N[6]-3:H-1:	C[5,5,6]-4:C[6]-4:C-3:	C[5,5,6]-4:	C[5,5,6](C[5,5,3x6]C[5,3x6]2C[6])(C[5,5,6]C[5,4x6]C[5,6]H)(N[6]C[6]C)(H)	N[6](C[5,5,6]C[5,5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(COO)	H(C[5,5,6]C[5,5,3x6]C[5,5,6]N[6])	C[5,5,6](C[5,5,3x6]C[5,3x6]2C[6])(C[5,5,6]C[5,4x6]C[5,6]H)(N[6]C[6]C)(H){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	N[6](C[5,5,6]C[5,5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(COO){1|H<1>,7|C<4>}	H(C[5,5,6]C[5,5,3x6]C[5,5,6]N[6])	110.7160	0.000	1	110.7160	0.000	1	110.7160	0.000	1	110.7160	0.000	1	110.7160	0.000	1	109.4897	2.303	192
474	856	951	0:SP3_SP-NON_SP3	C[5,6,6]	N[6,6]	H	4:3:3:1:	4:4:1:	4:	C[5,6]-4:N[5,6]-3:N[6,6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5,6a]C[6]H)(N[5,6]C[5,6a]C[6])(N[6,6]C[6,6]H)(H)	N[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6]C[6]2H)(H)	H(C[5,6,6]C[5,6]N[5,6]N[6,6])	C[5,6,6](C[5,6]C[5,6a]C[6]H)(N[5,6]C[5,6a]C[6])(N[6,6]C[6,6]H)(H){1|C<2>,1|C<4>,3|C<3>,3|H<1>}	N[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6]C[6]2H)(H){1|C<2>,1|C<4>,3|C<3>,3|H<1>}	H(C[5,6,6]C[5,6]N[5,6]N[6,6])	107.7370	0.000	1	107.7370	0.000	1	107.7370	0.000	1	107.7370	0.000	1	107.7370	0.000	1	109.4897	2.303	192
474	856	951	0:SP3_SP-NON_SP3	C[5,6,6]	N[6]	H	4:2:3:1:	4:4:4:	4:	C[5,5,6,6]-4:O[5,6]-2:N[6]-3:H-1:	C[5,6,6]-4:C[6]-4:S-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(O[5,6]C[5,5,6])(N[6]C[6]S)(H)	N[6](C[5,6,6]C[5,5,6,6]O[5,6]H)(C[6]C[6]HH)(SC[6a]OO)	H(C[5,6,6]C[5,5,6,6]O[5,6]N[6])	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(O[5,6]C[5,5,6])(N[6]C[6]S)(H){2|C<4>,6|H<1>}	N[6](C[5,6,6]C[5,5,6,6]O[5,6]H)(C[6]C[6]HH)(SC[6a]OO){3|C<4>,3|H<1>}	H(C[5,6,6]C[5,5,6,6]O[5,6]N[6])	108.7290	0.000	1	108.7290	0.000	1	108.7290	0.000	1	108.7290	0.000	1	109.6514	0.452	24	109.4897	2.303	192
474	856	951	0:SP3_SP-NON_SP3	C[5,6,6]	N[6]	H	4:4:3:1:	4:3:4:	4:	C[5,5,6]-4:C[5,6,6]-4:N[6]-3:H-1:	C[5,6,6]-4:C[6,6a]-3:S-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(N[6]C[6,6a]S)(H)	N[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(SC[6a]OO)	H(C[5,6,6]C[5,5,6]C[5,6,6]N[6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(N[6]C[6,6a]S)(H){1|C<4>,2|C<3>,5|H<1>}	N[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(SC[6a]OO){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]N[6])	107.4300	0.000	1	107.4300	0.000	1	107.4300	0.000	1	107.4300	0.000	1	109.6514	0.452	24	109.4897	2.303	192
474	856	951	0:SP3_SP-NON_SP3	C[5,6,6]	N[6]	H	4:4:3:1:	4:4:1:	4:	C[5,5,6]-4:C[5,6,6]-4:N[6]-3:H-1:	C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(N[6]C[6]H)(H)	N[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6a]N[6]H)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]N[6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(N[6]C[6]H)(H){1|N<3>,1|O<1>,2|C<3>,5|H<1>}	N[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6a]N[6]H)(H){2|H<1>,3|C<4>,4|C<3>}	H(C[5,6,6]C[5,5,6]C[5,6,6]N[6])	108.6890	0.000	1	108.6890	0.000	1	108.6890	0.000	1	108.6890	0.000	1	109.6514	0.452	24	109.4897	2.303	192
474	856	951	0:SP3_SP-NON_SP3	C[5,6,6]	N[6]	H	4:4:3:1:	4:4:4:	4:	C[5,3x6]-4:C[5,5,6]-4:N[6]-3:H-1:	C[5,6,6]-4:C[6]-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6,6]C[5]O[5])(N[6]C[6]C)(H)	N[6](C[5,6,6]C[5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(CCHH)	H(C[5,6,6]C[5,3x6]C[5,5,6]N[6])	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6,6]C[5]O[5])(N[6]C[6]C)(H){3|O<2>,6|C<4>,6|H<1>}	N[6](C[5,6,6]C[5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(CCHH){1|H<1>,1|O<2>,6|C<4>}	H(C[5,6,6]C[5,3x6]C[5,5,6]N[6])	109.6380	0.000	1	109.5493	0.006	3	109.5493	0.006	3	109.8469	0.144	21	109.6514	0.452	24	109.4897	2.303	192
474	856	951	0:SP3_SP-NON_SP3	C[5,6,6]	N[6]	H	4:4:3:1:	4:4:4:	4:	C[5,3x6]-4:C[5,5,6]-4:N[6]-3:H-1:	C[5,6,6]-4:C[6]-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6,6]C[5]O[5])(N[6]C[6]C)(H)	N[6](C[5,6,6]C[5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(CCHH)	H(C[5,6,6]C[5,3x6]C[5,5,6]N[6])	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6,6]C[5]O[5])(N[6]C[6]C)(H){4|O<2>,5|H<1>,6|C<4>}	N[6](C[5,6,6]C[5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(CCHH){1|O<2>,7|C<4>}	H(C[5,6,6]C[5,3x6]C[5,5,6]N[6])	109.5050	0.027	2	109.5493	0.006	3	109.5493	0.006	3	109.8469	0.144	21	109.6514	0.452	24	109.4897	2.303	192
474	856	951	0:SP3_SP-NON_SP3	C[5,6,6]	N[6]	H	4:4:3:1:	4:4:4:	4:	C[5,3x6]-4:C[5,6]-4:N[6]-3:H-1:	C[5,6,6]-4:C[6]-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H)	N[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]C[6,6]HH)(CCHH)	H(C[5,6,6]C[5,3x6]C[5,6]N[6])	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H){2|O<2>,5|C<4>,7|H<1>}	N[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]C[6,6]HH)(CCHH){1|H<1>,1|O<2>,6|C<4>}	H(C[5,6,6]C[5,3x6]C[5,6]N[6])	109.8545	0.004	2	109.8921	0.150	14	109.9294	0.139	17	109.8469	0.144	21	109.6514	0.452	24	109.4897	2.303	192
474	856	951	0:SP3_SP-NON_SP3	C[5,6,6]	N[6]	H	4:4:3:1:	4:4:4:	4:	C[5,3x6]-4:C[5,6]-4:N[6]-3:H-1:	C[5,6,6]-4:C[6]-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H)	N[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]C[6,6]HH)(CCHH)	H(C[5,6,6]C[5,3x6]C[5,6]N[6])	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H){2|O<2>,5|C<4>,7|H<1>}	N[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]C[6,6]HH)(CCHH){1|H<1>,7|C<4>}	H(C[5,6,6]C[5,3x6]C[5,6]N[6])	110.0657	0.287	4	109.8921	0.150	14	109.9294	0.139	17	109.8469	0.144	21	109.6514	0.452	24	109.4897	2.303	192
474	856	951	0:SP3_SP-NON_SP3	C[5,6,6]	N[6]	H	4:4:3:1:	4:4:4:	4:	C[5,3x6]-4:C[5,6]-4:N[6]-3:H-1:	C[5,6,6]-4:C[6]-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H)	N[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]C[6,6]HH)(CCHH)	H(C[5,6,6]C[5,3x6]C[5,6]N[6])	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H){3|O<2>,5|C<4>,6|H<1>}	N[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]C[6,6]HH)(CCHH){1|H<1>,7|C<4>}	H(C[5,6,6]C[5,3x6]C[5,6]N[6])	109.7659	0.483	7	109.8921	0.150	14	109.9294	0.139	17	109.8469	0.144	21	109.6514	0.452	24	109.4897	2.303	192
474	856	951	0:SP3_SP-NON_SP3	C[5,6,6]	N[6]	H	4:4:3:1:	4:4:4:	4:	C[5,3x6]-4:C[5,6]-4:N[6]-3:H-1:	C[5,6,6]-4:C[6]-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H)	N[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]C[6,6]HH)(CCHH)	H(C[5,6,6]C[5,3x6]C[5,6]N[6])	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H){4|O<2>,5|C<4>,5|H<1>}	N[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]C[6,6]HH)(CCHH){1|H<1>,7|C<4>}	H(C[5,6,6]C[5,3x6]C[5,6]N[6])	110.1570	0.000	1	109.8921	0.150	14	109.9294	0.139	17	109.8469	0.144	21	109.6514	0.452	24	109.4897	2.303	192
474	856	951	0:SP3_SP-NON_SP3	C[5,6,6]	N[6]	H	4:4:3:1:	4:4:4:	4:	C[5,3x6]-4:C[5,6]-4:N[6]-3:H-1:	C[5,6,6]-4:C[6]-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H)	N[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]C[6,6]HH)(CH3)	H(C[5,6,6]C[5,3x6]C[5,6]N[6])	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H){3|O<2>,5|C<4>,6|H<1>}	N[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]C[6,6]HH)(CH3){1|H<1>,7|C<4>}	H(C[5,6,6]C[5,3x6]C[5,6]N[6])	110.2615	0.103	2	110.2615	0.011	2	109.9294	0.139	17	109.8469	0.144	21	109.6514	0.452	24	109.4897	2.303	192
474	856	951	0:SP3_SP-NON_SP3	C[5,6,6]	N[6]	H	4:4:3:1:	4:4:4:	4:	C[5,3x6]-4:C[5,6]-4:N[6]-3:H-1:	C[5,6,6]-4:C[6]-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(N[6]C[6]C)(H)	N[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]C[6,6]HH)(CCHH)	H(C[5,6,6]C[5,3x6]C[5,6]N[6])	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(N[6]C[6]C)(H){3|O<2>,5|C<4>,6|H<1>}	N[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]C[6,6]HH)(CCHH){1|H<1>,7|C<4>}	H(C[5,6,6]C[5,3x6]C[5,6]N[6])	109.7860	0.000	1	109.7860	0.000	1	109.9294	0.139	17	109.8469	0.144	21	109.6514	0.452	24	109.4897	2.303	192
474	856	951	0:SP3_SP-NON_SP3	C[5,6,6]	N[6]	H	4:4:3:1:	4:4:4:	4:	C[5,5,6,6]-4:C[5,6]-4:N[6]-3:H-1:	C[5,6,6]-4:C[6]-4:S-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,5,6]HH)(N[6]C[6]S)(H)	N[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]O[6]CH)(SC[6a]OO)	H(C[5,6,6]C[5,5,6,6]C[5,6]N[6])	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,5,6]HH)(N[6]C[6]S)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	N[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]O[6]CH)(SC[6a]OO){2|H<1>,4|C<4>}	H(C[5,6,6]C[5,5,6,6]C[5,6]N[6])	109.3380	0.000	1	109.3380	0.000	1	109.3380	0.000	1	109.8469	0.144	21	109.6514	0.452	24	109.4897	2.303	192
474	856	951	0:SP3_SP-NON_SP3	C[5,6]	N[6,6]	H	4:3:4:1:	4:4:4:	4:	C[5,6]-4:N[6,6]-3:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[6a]C[5]C[6])(N[6,6]C[6,6]C[6])(C[5]C[5]HH)(H)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)	H(C[5,6]C[5,6]N[6,6]C[5])	C[5,6](C[5,6]C[6a]C[5]C[6])(N[6,6]C[6,6]C[6])(C[5]C[5]HH)(H){3|C<3>,3|C<4>,8|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH){1|N<3>,2|C<3>,3|C<4>,6|H<1>}	H(C[5,6]C[5,6]N[6,6]C[5])	106.2550	0.000	1	106.2550	0.000	1	106.2550	0.000	1	106.2550	0.000	1	106.2550	0.000	1	109.4897	2.303	192
474	856	951	0:SP3_SP-NON_SP3	C[5,6]	N[6]	H	3:3:3:1:	3:4:1:	4:	C[5,6a]-3:N[5,6]-3:N[6]-3:H-1:	C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5])(N[6]C[6,6a]H)(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5,6a]N[5,6]H)(H)	H(C[5,6]C[5,6a]N[5,6]N[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5])(N[6]C[6,6a]H)(H){1|H<1>,1|O<1>,5|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5,6a]N[5,6]H)(H){1|H<1>,6|C<3>}	H(C[5,6]C[5,6a]N[5,6]N[6])	110.0700	0.000	1	110.0700	0.000	1	110.0700	0.000	1	110.0700	0.000	1	109.6610	2.521	135	109.4897	2.303	192
474	856	951	0:SP3_SP-NON_SP3	C[5,6]	N[6]	H	3:3:3:1:	4:3:4:	4:	C[5,6a]-3:N[5,6]-3:N[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5])(N[6]C[6]C)(H)	N[6](C[5,6]C[5,6a]N[5,6]H)(C[6]C[6,6a]O)(CC[6a]HH)	H(C[5,6]C[5,6a]N[5,6]N[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5])(N[6]C[6]C)(H){1|H<1>,2|O<1>,4|C<3>}	N[6](C[5,6]C[5,6a]N[5,6]H)(C[6]C[6,6a]O)(CC[6a]HH){5|C<3>}	H(C[5,6]C[5,6a]N[5,6]N[6])	109.7000	0.000	1	109.7000	0.000	1	109.7000	0.000	1	109.7000	0.000	1	109.6610	2.521	135	109.4897	2.303	192
474	856	951	0:SP3_SP-NON_SP3	C[5,6]	N[6]	H	3:3:3:1:	4:4:4:	4:	C[5,6a]-3:N[5,6]-3:N[6]-3:H-1:	C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(N[6]C[6]C)(H)	N[6](C[5,6]C[5,6a]N[5,6]H)(C[6]C[6]HH)(CCHH)	H(C[5,6]C[5,6a]N[5,6]N[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(N[6]C[6]C)(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	N[6](C[5,6]C[5,6a]N[5,6]H)(C[6]C[6]HH)(CCHH){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[5,6]C[5,6a]N[5,6]N[6])	110.4020	0.000	1	110.4020	0.000	1	110.4020	0.000	1	110.4020	0.000	1	109.6610	2.521	135	109.4897	2.303	192
474	856	951	0:SP3_SP-NON_SP3	C[5,6]	N[6]	H	3:3:4:1:	3:4:1:	4:	N[5,6]-3:N[6]-3:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]C[5]CH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(H)	H(C[5,6]N[5,6]C[5]N[6])	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]C[5]CH)(H){1|O<1>,2|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(H){2|H<1>,3|C<3>,3|C<4>}	H(C[5,6]N[5,6]C[5]N[6])	109.0220	0.000	1	109.0220	0.000	1	109.0220	0.000	1	109.0220	0.000	1	109.6610	2.521	135	109.4897	2.303	192
474	856	951	0:SP3_SP-NON_SP3	C[5,6]	N[6]	H	3:3:4:1:	4:4:3:	4:	N[5,6]-3:N[6]-3:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[6a]-3:	C[5,6]-4:	C[5,6](N[5,6]C[6,6a]C[5])(N[6]C[6a]C[6])(C[5]C[5]HH)(H)	N[6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[6a]C[6a]2)	H(C[5,6]N[5,6]C[5]N[6])	C[5,6](N[5,6]C[6,6a]C[5])(N[6]C[6a]C[6])(C[5]C[5]HH)(H){4|C<3>,6|H<1>}	N[6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[6a]C[6a]2){2|C<4>,4|C<3>,4|H<1>}	H(C[5,6]N[5,6]C[5]N[6])	109.8280	0.000	1	109.7860	0.004	2	109.7860	0.004	2	109.7860	0.004	2	109.6610	2.521	135	109.4897	2.303	192
474	856	951	0:SP3_SP-NON_SP3	C[5,6]	N[6]	H	3:3:4:1:	4:4:3:	4:	N[5,6]-3:N[6]-3:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[6a]-3:	C[5,6]-4:	C[5,6](N[5,6]C[6,6a]C[5])(N[6]C[6a]C[6])(C[5]C[5]HH)(H)	N[6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[6a]C[6a]2)	H(C[5,6]N[5,6]C[5]N[6])	C[5,6](N[5,6]C[6,6a]C[5])(N[6]C[6a]C[6])(C[5]C[5]HH)(H){4|C<3>,6|H<1>}	N[6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[6a]C[6a]2){2|H<1>,4|C<3>,4|C<4>}	H(C[5,6]N[5,6]C[5]N[6])	109.7440	0.000	1	109.7860	0.004	2	109.7860	0.004	2	109.7860	0.004	2	109.6610	2.521	135	109.4897	2.303	192
474	856	951	0:SP3_SP-NON_SP3	C[5,6]	N[6]	H	3:4:3:1:	4:3:1:	4:	C[5,5a]-3:C[5,6]-4:N[6]-3:H-1:	C[5,6]-4:C[6,6a]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5a]N[5,5a]C[5a])(C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(H)	N[6](C[5,6]C[5,5a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(H)	H(C[5,6]C[5,5a]C[5,6]N[6])	C[5,6](C[5,5a]N[5,5a]C[5a])(C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(H){1|Cl<1>,2|C<4>,2|H<1>,4|C<3>}	N[6](C[5,6]C[5,5a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,5a]C[5,6]N[6])	111.5120	2.402	3	111.5120	5.769	3	111.5120	5.769	3	111.5120	5.769	3	109.6610	2.521	135	109.4897	2.303	192
474	856	951	0:SP3_SP-NON_SP3	C[5,6]	N[6]	H	3:4:3:1:	4:3:3:	4:	N[5,6]-3:C[5]-4:N[6]-3:H-1:	C[5,6]-4:C[6]-3:N-3:	C[5,6]-4:	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(N[6]C[6]N)(H)	N[6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]O)(NCH)	H(C[5,6]N[5,6]C[5]N[6])	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(N[6]C[6]N)(H){1|O<1>,3|C<3>,3|H<1>}	N[6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]O)(NCH){2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]N[5,6]C[5]N[6])	109.7350	0.144	2	109.7350	0.021	2	109.7350	0.021	2	109.7350	0.021	2	109.6610	2.521	135	109.4897	2.303	192
474	856	951	0:SP3_SP-NON_SP3	C[5,6]	N[6]	H	3:4:3:1:	4:3:4:	4:	C[5,6a]-3:C[5,6]-4:N[6]-3:H-1:	C[5,6]-4:C[6,6a]-3:S-4:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]N)(N[6]C[6,6a]S)(H)	N[6](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(SC[6a]OO)	H(C[5,6]C[5,6a]C[5,6]N[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]N)(N[6]C[6,6a]S)(H){1|Cl<1>,1|C<4>,1|H<1>,4|C<3>}	N[6](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(SC[6a]OO){1|C<4>,1|H<1>,1|N<3>,1|O<2>,4|C<3>}	H(C[5,6]C[5,6a]C[5,6]N[6])	110.5170	0.000	1	110.5170	0.000	1	110.5170	0.000	1	108.9375	4.990	2	109.6610	2.521	135	109.4897	2.303	192
474	856	951	0:SP3_SP-NON_SP3	C[5,6]	N[6]	H	3:4:3:1:	4:3:4:	4:	C[5,6a]-3:C[5,6]-4:N[6]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(N[6]C[6a]C[6])(H)	N[6](C[5,6]C[5,6a]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[5,6]C[5,6a]C[5,6]N[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(N[6]C[6a]C[6])(H){1|C<4>,1|O<1>,4|C<3>,5|H<1>}	N[6](C[5,6]C[5,6a]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]HH){2|C<4>,4|H<1>,5|C<3>}	H(C[5,6]C[5,6a]C[5,6]N[6])	107.3580	0.000	1	107.3580	0.000	1	107.3580	0.000	1	108.9375	4.990	2	109.6610	2.521	135	109.4897	2.303	192
474	856	951	0:SP3_SP-NON_SP3	C[5,6]	N[6]	H	3:4:3:1:	4:4:4:	4:	C[5,6]-3:C[5]-4:N[6]-3:H-1:	C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HO)(N[6]C[6]C)(H)	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CC[6a]HH)	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HO)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|H<1>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CC[6a]HH){2|C<3>,2|O<2>,3|H<1>}	H(C[5,6]C[5,6]C[5]N[6])	109.1620	0.000	1	109.1620	0.000	1	109.1620	0.000	1	107.7627	0.643	8	109.6610	2.521	135	109.4897	2.303	192
474	856	951	0:SP3_SP-NON_SP3	C[5,6]	N[6]	H	3:4:3:1:	4:4:4:	4:	C[5,6]-3:C[5]-4:N[6]-3:H-1:	C[5,6]-4:C[6]-4:S-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(N[6]C[6]S)(H)	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(SC[6a]OO)	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(N[6]C[6]S)(H){1|S<4>,2|C<4>,4|H<1>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(SC[6a]OO){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]N[6])	107.8715	0.194	2	107.8715	0.038	2	107.8715	0.038	2	107.7627	0.643	8	109.6610	2.521	135	109.4897	2.303	192
474	856	951	0:SP3_SP-NON_SP3	C[5,6]	N[6]	H	3:4:3:1:	4:4:4:	4:	C[5,6a]-3:C[5,6]-4:N[6]-3:H-1:	C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(N[6]C[6]C)(H)	N[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6a]O[6]H)(CC[6a]HH)	H(C[5,6]C[5,6a]C[5,6]N[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	N[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6a]O[6]H)(CC[6a]HH){3|C<4>,4|C<3>}	H(C[5,6]C[5,6a]C[5,6]N[6])	107.6897	0.342	3	107.6897	0.117	3	107.3353	0.580	4	107.7627	0.643	8	109.6610	2.521	135	109.4897	2.303	192
474	856	951	0:SP3_SP-NON_SP3	C[5,6]	N[6]	H	3:4:3:1:	4:4:4:	4:	C[5,6a]-3:C[5,6]-4:N[6]-3:H-1:	C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(N[6]C[6]C)(H)	N[6](C[5,6]C[5,6a]C[5,6]H)(C[6]O[6]CC)(CC[6a]HH)	H(C[5,6]C[5,6a]C[5,6]N[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(N[6]C[6]C)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	N[6](C[5,6]C[5,6a]C[5,6]H)(C[6]O[6]CC)(CC[6a]HH){2|C<3>,3|C<4>}	H(C[5,6]C[5,6a]C[5,6]N[6])	106.2720	0.000	1	106.2720	0.000	1	107.3353	0.580	4	107.7627	0.643	8	109.6610	2.521	135	109.4897	2.303	192
474	856	951	0:SP3_SP-NON_SP3	C[5,6]	N[6]	H	3:4:3:1:	4:4:4:	4:	C[5,6a]-3:C[5,6]-4:N[6]-3:H-1:	C[5,6]-4:C[6]-4:S-4:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(N[6]C[6]S)(H)	N[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(SC[6a]OO)	H(C[5,6]C[5,6a]C[5,6]N[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(N[6]C[6]S)(H){1|C<4>,2|C<3>,7|H<1>}	N[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(SC[6a]OO){2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6a]C[5,6]N[6])	107.8560	0.000	1	107.8560	0.000	1	107.8560	0.000	1	107.7627	0.643	8	109.6610	2.521	135	109.4897	2.303	192
474	856	951	0:SP3_SP-NON_SP3	C[5,6]	N[6]	H	4:3:2:1:	4:3:2:	4:	C[5,6]-4:N[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6a]-3:O[6]-2:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6a]O[6])(O[5]C[5])(H)	N[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(O[6]C[6])	H(C[5,6]C[5,6]N[6]O[5])	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6a]O[6])(O[5]C[5])(H){1|C<4>,2|C<3>,6|H<1>}	N[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(O[6]C[6]){3|C<4>,3|H<1>,4|C<3>}	H(C[5,6]C[5,6]N[6]O[5])	107.8390	1.824	2	107.8390	3.328	2	107.8390	3.328	2	107.8390	3.328	2	109.6610	2.521	135	109.4897	2.303	192
474	856	951	0:SP3_SP-NON_SP3	C[5,6]	N[6]	H	4:3:2:1:	4:4:3:	4:	C[5,6]-4:N[6]-3:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:N-3:	C[5,6]-4:	C[5,6](C[5,6]N[6]O[5]H)(N[6]C[5,6]N)(O[5]C[5])(H)	N[6](C[5,6]C[5,6]O[5]H)2(NOO)	H(C[5,6]C[5,6]N[6]O[5])	C[5,6](C[5,6]N[6]O[5]H)(N[6]C[5,6]N)(O[5]C[5])(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	N[6](C[5,6]C[5,6]O[5]H)2(NOO){1|N<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]N[6]O[5])	109.5973	0.704	4	109.5973	0.495	4	109.5973	0.495	4	109.5973	0.495	4	109.6610	2.521	135	109.4897	2.303	192
474	856	951	0:SP3_SP-NON_SP3	C[5,6]	N[6]	H	4:3:3:1:	3:4:1:	4:	C[5,6]-4:N[5]-3:N[6]-3:H-1:	C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[5,6]C)(N[5]C[5,6a]C)(N[6]C[6,6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(H)	H(C[5,6]C[5,6]N[5]N[6])	C[5,6](C[5,6]C[5,6a]C[5,6]C)(N[5]C[5,6a]C)(N[6]C[6,6a]H)(H){1|C<4>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(H){1|H<1>,3|C<4>,4|C<3>}	H(C[5,6]C[5,6]N[5]N[6])	107.8210	0.000	1	107.8210	0.000	1	107.8210	0.000	1	109.4860	5.544	2	109.6610	2.521	135	109.4897	2.303	192
474	856	951	0:SP3_SP-NON_SP3	C[5,6]	N[6]	H	4:3:3:1:	3:4:1:	4:	C[5,6]-4:N[6]-3:C[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]CC)(N[6]C[6,6a]H)(C[5]O[5]O)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[5,6]CC)(N[6]C[6,6a]H)(C[5]O[5]O)(H){1|C<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	H(C[5,6]C[5,6]C[5]N[6])	111.1510	0.000	1	111.1510	0.000	1	111.1510	0.000	1	109.4860	5.544	2	109.6610	2.521	135	109.4897	2.303	192
474	856	951	0:SP3_SP-NON_SP3	C[5,6]	N[6]	H	4:3:3:1:	3:4:4:	4:	C[5,6]-4:N[5]-3:N[6]-3:H-1:	C[6,6a]-3:C[5,6]-4:S-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(N[6]C[6,6a]S)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(SC[6a]OO)	H(C[5,6]C[5,6]N[5]N[6])	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(N[6]C[6,6a]S)(H){2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(SC[6a]OO){1|H<1>,3|C<4>,4|C<3>}	H(C[5,6]C[5,6]N[5]N[6])	109.3480	0.000	1	109.3480	0.000	1	109.3480	0.000	1	109.5810	0.039	4	109.6610	2.521	135	109.4897	2.303	192
474	856	951	0:SP3_SP-NON_SP3	C[5,6]	N[6]	H	4:3:3:1:	3:4:4:	4:	C[5,6]-4:N[6]-3:C[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:S-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]C)(N[6]C[6,6a]S)(C[5]C[5]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO)	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[6]O[5]C)(N[6]C[6,6a]S)(C[5]C[5]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]N[6])	109.4850	0.000	1	109.6055	0.029	2	109.6587	0.023	3	109.5810	0.039	4	109.6610	2.521	135	109.4897	2.303	192
474	856	951	0:SP3_SP-NON_SP3	C[5,6]	N[6]	H	4:3:3:1:	3:4:4:	4:	C[5,6]-4:N[6]-3:C[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:S-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]C)(N[6]C[6,6a]S)(C[5]C[5]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO)	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[6]O[5]C)(N[6]C[6,6a]S)(C[5]C[5]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]N[6])	109.7260	0.000	1	109.6055	0.029	2	109.6587	0.023	3	109.5810	0.039	4	109.6610	2.521	135	109.4897	2.303	192
474	856	951	0:SP3_SP-NON_SP3	C[5,6]	N[6]	H	4:3:3:1:	3:4:4:	4:	C[5,6]-4:N[6]-3:C[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:S-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(N[6]C[6,6a]S)(C[5]C[5]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO)	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[6]O[5]H)(N[6]C[6,6a]S)(C[5]C[5]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]N[6])	109.7650	0.000	1	109.7650	0.000	1	109.6587	0.023	3	109.5810	0.039	4	109.6610	2.521	135	109.4897	2.303	192
474	856	951	0:SP3_SP-NON_SP3	C[5,6]	N[6]	H	4:3:3:1:	4:2:1:	4:	C[5,6]-4:N[5]-3:N[6]-3:H-1:	C[5,6]-4:N[6]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5,6]N[5]H)(N[5]C[5]C)(N[6]N[6]H)(H)	N[6](C[5,6]C[5,6]N[5]H)(N[6]C[5,6])(H)	H(C[5,6]C[5,6]N[5]N[6])	C[5,6](C[5,6]N[5,6]N[5]H)(N[5]C[5]C)(N[6]N[6]H)(H){1|C<4>,1|O<1>,2|C<3>}	N[6](C[5,6]C[5,6]N[5]H)(N[6]C[5,6])(H){1|C<3>,1|C<4>,1|H<1>,1|S<2>,2|N<3>}	H(C[5,6]C[5,6]N[5]N[6])	109.2960	0.000	1	109.2960	0.000	1	109.2960	0.000	1	109.2960	0.000	1	109.6610	2.521	135	109.4897	2.303	192
474	856	951	0:SP3_SP-NON_SP3	C[5,6]	N[6]	H	4:3:3:1:	4:2:3:	4:	C[5,6]-4:C[5]-3:N[6]-3:H-1:	C[5,6]-4:N[6]-2:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]H)(N[6]N[6]C)(H)	N[6](C[5,6]C[5,6]C[5]H)(N[6]C[6])(CC[6a]O)	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]H)(N[6]N[6]C)(H){2|C<3>,3|H<1>}	N[6](C[5,6]C[5,6]C[5]H)(N[6]C[6])(CC[6a]O){1|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]N[6])	109.7950	0.000	1	109.7950	0.000	1	109.7950	0.000	1	109.7950	0.000	1	109.6610	2.521	135	109.4897	2.303	192
474	856	951	0:SP3_SP-NON_SP3	C[5,6]	N[6]	H	4:3:3:1:	4:3:1:	4:	C[5,6]-4:N[6]-3:N[5]-3:H-1:	C[5,6]-4:N[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]N[5]N[6]H)(N[6]N[5,6]H)(N[5]C[5]C)(H)	N[6](C[5,6]C[5,6]N[5]H)(N[5,6]C[5,6]C[5])(H)	H(C[5,6]C[5,6]N[5]N[6])	C[5,6](C[5,6]N[5]N[6]H)(N[6]N[5,6]H)(N[5]C[5]C)(H){1|C<4>,1|O<1>,2|C<3>}	N[6](C[5,6]C[5,6]N[5]H)(N[5,6]C[5,6]C[5])(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|S<2>,2|C<4>}	H(C[5,6]C[5,6]N[5]N[6])	108.9342	0.505	4	108.9342	0.255	4	108.9342	0.255	4	108.9342	0.255	4	109.6610	2.521	135	109.4897	2.303	192
474	856	951	0:SP3_SP-NON_SP3	C[5,6]	N[6]	H	4:3:3:1:	4:3:4:	4:	C[5,6]-4:C[5]-3:N[6]-3:H-1:	C[5,6]-4:C[6]-3:S-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]H)(N[6]C[6]S)(H)	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(SC[6a]OO)	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]H)(N[6]C[6]S)(H){3|C<3>,3|H<1>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(SC[6a]OO){1|C<4>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]N[6])	107.2700	0.058	6	107.2700	0.003	6	107.2700	0.003	6	107.9555	0.841	10	109.6610	2.521	135	109.4897	2.303	192
474	856	951	0:SP3_SP-NON_SP3	C[5,6]	N[6]	H	4:3:3:1:	4:3:4:	4:	C[5,6]-4:N[5]-3:N[6]-3:H-1:	C[5,6]-4:N[6,6]-3:S-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]O[6]C)(N[5]C[5,6a]C)(N[6]N[6,6]S)(H)	N[6](C[5,6]C[5,6]N[5]H)(N[6,6]C[6,6]C[6])(SC[6a]OO)	H(C[5,6]C[5,6]N[5]N[6])	C[5,6](C[5,6]C[5,6a]O[6]C)(N[5]C[5,6a]C)(N[6]N[6,6]S)(H){2|C<3>,2|C<4>}	N[6](C[5,6]C[5,6]N[5]H)(N[6,6]C[6,6]C[6])(SC[6a]OO){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]N[5]N[6])	108.9838	0.411	4	108.9838	0.169	4	108.9838	0.169	4	107.9555	0.841	10	109.6610	2.521	135	109.4897	2.303	192
474	856	951	0:SP3_SP-NON_SP3	C[5,6]	N[6]	H	4:3:3:1:	4:4:3:	4:	C[5,6]-4:N[5]-3:N[6]-3:H-1:	C[5,6]-4:C[6]-4:N-3:	C[5,6]-4:	C[5,6](C[5,6]N[5]N[6]H)(N[5]C[5]H)(N[6]C[6]N)(H)	N[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(NOO)	H(C[5,6]C[5,6]N[5]N[6])	C[5,6](C[5,6]N[5]N[6]H)(N[5]C[5]H)(N[6]C[6]N)(H){1|C<4>,1|O<1>,2|H<1>,2|N<3>}	N[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(NOO){1|C<3>,2|N<3>,4|H<1>}	H(C[5,6]C[5,6]N[5]N[6])	110.4570	0.000	1	110.4570	0.000	1	110.4570	0.000	1	110.7886	0.535	46	109.6610	2.521	135	109.4897	2.303	192
474	856	951	0:SP3_SP-NON_SP3	C[5,6]	N[6]	H	4:3:3:1:	4:4:3:	4:	C[5,6]-4:N[6]-3:N[5]-3:H-1:	C[5,6]-4:C[5,6]-4:N-3:	C[5,6]-4:	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]N)(N[5]C[5]N)(H)	N[6](C[5,6]C[5,6]N[5]H)2(NOO)	H(C[5,6]C[5,6]N[5]N[6])	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]N)(N[5]C[5]N)(H){1|C<3>,2|C<4>,2|H<1>,2|N<3>}	N[6](C[5,6]C[5,6]N[5]H)2(NOO){2|C<4>,2|H<1>,5|N<3>}	H(C[5,6]C[5,6]N[5]N[6])	111.0135	0.047	2	110.7960	0.545	45	110.7960	0.545	45	110.7886	0.535	46	109.6610	2.521	135	109.4897	2.303	192
474	856	951	0:SP3_SP-NON_SP3	C[5,6]	N[6]	H	4:3:3:1:	4:4:3:	4:	C[5,6]-4:N[6]-3:N[5]-3:H-1:	C[5,6]-4:C[5,6]-4:N-3:	C[5,6]-4:	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]N)(N[5]C[5]N)(H)	N[6](C[5,6]C[5,6]N[5]H)2(NOO)	H(C[5,6]C[5,6]N[5]N[6])	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]N)(N[5]C[5]N)(H){2|C<4>,2|H<1>,3|N<3>}	N[6](C[5,6]C[5,6]N[5]H)2(NOO){2|C<4>,2|H<1>,5|N<3>}	H(C[5,6]C[5,6]N[5]N[6])	110.7859	0.754	43	110.7960	0.545	45	110.7960	0.545	45	110.7886	0.535	46	109.6610	2.521	135	109.4897	2.303	192
474	856	951	0:SP3_SP-NON_SP3	C[5,6]	N[6]	H	4:3:3:1:	4:4:4:	4:	C[5,5,6]-4:C[5]-3:N[6]-3:H-1:	C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C)(C[5]C[5]C)(N[6]C[6]C)(H)	N[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[5,6]HH)(CH3)	H(C[5,6]C[5,5,6]C[5]N[6])	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C)(C[5]C[5]C)(N[6]C[6]C)(H){1|C<4>,3|C<3>,3|H<1>}	N[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[5,6]HH)(CH3){1|H<1>,2|C<4>,4|C<3>}	H(C[5,6]C[5,5,6]C[5]N[6])	111.4870	0.151	3	111.4870	0.023	3	111.4870	0.023	3	109.9447	2.743	9	109.6610	2.521	135	109.4897	2.303	192
474	856	951	0:SP3_SP-NON_SP3	C[5,6]	N[6]	H	4:3:3:1:	4:4:4:	4:	C[5,6,6]-4:C[5,6]-3:N[6]-3:H-1:	C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[6]C)(C[5,6]N[5,6]C[6])(N[6]C[6]C)(H)	N[6](C[5,6]C[5,6,6]C[5,6]H)(C[6]C[6,6]C[6a]H)(CH3)	H(C[5,6]C[5,6,6]C[5,6]N[6])	C[5,6](C[5,6,6]C[5,6,6]C[6]C)(C[5,6]N[5,6]C[6])(N[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,4|H<1>}	N[6](C[5,6]C[5,6,6]C[5,6]H)(C[6]C[6,6]C[6a]H)(CH3){1|N<2>,1|N<3>,3|C<4>,4|C<3>}	H(C[5,6]C[5,6,6]C[5,6]N[6])	108.3110	0.000	1	108.3110	0.000	1	108.3110	0.000	1	109.9447	2.743	9	109.6610	2.521	135	109.4897	2.303	192
474	856	951	0:SP3_SP-NON_SP3	C[5,6]	N[6]	H	4:3:3:1:	4:4:4:	4:	C[5,6]-4:C[5]-3:N[6]-3:H-1:	C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]O)(N[6]C[6]C)(H)	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CC[6a]HH)	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]O)(N[6]C[6]C)(H){1|C<3>,1|C<4>,2|H<1>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CC[6a]HH){1|C<4>,1|O<1>,1|O<2>,4|H<1>}	H(C[5,6]C[5,6]C[5]N[6])	111.6080	0.000	1	111.6080	0.000	1	111.6080	0.000	1	109.9447	2.743	9	109.6610	2.521	135	109.4897	2.303	192
474	856	951	0:SP3_SP-NON_SP3	C[5,6]	N[6]	H	4:3:3:1:	4:4:4:	4:	C[5,6]-4:N[5,6]-3:N[6]-3:H-1:	C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]N[5,6]N[6]H)(N[5,6]C[6,6a]C[5])(N[6]C[6]C)(H)	N[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6,6a]HH)(CHHN)	H(C[5,6]C[5,6]N[5,6]N[6])	C[5,6](C[5,6]N[5,6]N[6]H)(N[5,6]C[6,6a]C[5])(N[6]C[6]C)(H){2|C<4>,3|C<3>,4|H<1>}	N[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6,6a]HH)(CHHN){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	H(C[5,6]C[5,6]N[5,6]N[6])	109.9820	0.000	1	109.9820	0.000	1	109.9820	0.000	1	109.9447	2.743	9	109.6610	2.521	135	109.4897	2.303	192
474	856	951	0:SP3_SP-NON_SP3	C[5,6]	N[6]	H	4:3:3:1:	4:4:4:	4:	C[5,6]-4:N[5]-3:N[6]-3:H-1:	C[5,6]-4:C[6]-4:S-4:	C[5,6]-4:	C[5,6](C[5,6]C[6a]C[6]N[5])(N[5]C[6a]C[5])(N[6]C[6]S)(H)	N[6](C[5,6]C[5,6]N[5]H)(C[6]N[6]HH)(SC[6a]OO)	H(C[5,6]C[5,6]N[5]N[6])	C[5,6](C[5,6]C[6a]C[6]N[5])(N[5]C[6a]C[5])(N[6]C[6]S)(H){1|N<3>,5|C<3>,6|H<1>}	N[6](C[5,6]C[5,6]N[5]H)(C[6]N[6]HH)(SC[6a]OO){1|N<3>,2|C<4>,3|C<3>}	H(C[5,6]C[5,6]N[5]N[6])	109.4470	0.000	1	109.4470	0.000	1	109.4470	0.000	1	109.9447	2.743	9	109.6610	2.521	135	109.4897	2.303	192
474	856	951	0:SP3_SP-NON_SP3	C[5,6]	N[6]	H	4:3:3:1:	4:4:4:	4:	C[5,6]-4:N[6]-3:N[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]C)(N[5]C[5]C)(H)	N[6](C[5,6]C[5,6]N[5]H)2(CC[6a]HH)	H(C[5,6]C[5,6]N[5]N[6])	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]C)(N[5]C[5]C)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	N[6](C[5,6]C[5,6]N[5]H)2(CC[6a]HH){1|C<3>,2|H<1>,3|C<4>,3|N<3>}	H(C[5,6]C[5,6]N[5]N[6])	107.4780	0.000	1	107.8465	0.272	2	107.8465	0.272	2	109.9447	2.743	9	109.6610	2.521	135	109.4897	2.303	192
474	856	951	0:SP3_SP-NON_SP3	C[5,6]	N[6]	H	4:3:3:1:	4:4:4:	4:	C[5,6]-4:N[6]-3:N[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]C)(N[5]C[5]C)(H)	N[6](C[5,6]C[5,6]N[5]H)2(CC[6a]HH)	H(C[5,6]C[5,6]N[5]N[6])	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]C)(N[5]C[5]C)(H){1|N<3>,3|C<4>,3|H<1>}	N[6](C[5,6]C[5,6]N[5]H)2(CC[6a]HH){1|C<3>,2|H<1>,3|C<4>,3|N<3>}	H(C[5,6]C[5,6]N[5]N[6])	108.2150	0.000	1	107.8465	0.272	2	107.8465	0.272	2	109.9447	2.743	9	109.6610	2.521	135	109.4897	2.303	192
474	856	951	0:SP3_SP-NON_SP3	C[5,6]	N[6]	H	4:3:4:1:	3:4:1:	4:	C[5,6]-4:N[6]-3:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(C[5]N[5]CH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(C[5]N[5]CH)(H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]N[6])	109.5940	0.000	1	109.8976	0.061	5	109.8976	0.061	5	109.8976	0.061	5	109.6610	2.521	135	109.4897	2.303	192
474	856	951	0:SP3_SP-NON_SP3	C[5,6]	N[6]	H	4:3:4:1:	3:4:1:	4:	C[5,6]-4:N[6]-3:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(C[5]N[5]CH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(C[5]N[5]CH)(H){1|S<4>,3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]N[6])	109.9735	0.206	4	109.8976	0.061	5	109.8976	0.061	5	109.8976	0.061	5	109.6610	2.521	135	109.4897	2.303	192
474	856	951	0:SP3_SP-NON_SP3	C[5,6]	N[6]	H	4:3:4:1:	3:4:4:	4:	C[5,6]-4:N[6]-3:C[5]-4:H-1:	C[5a,6]-3:C[5,6]-4:S-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]C)(N[6]C[5a,6]S)(C[5]C[5]HH)(H)	N[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6]C[5]H)(SC[6a]OO)	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[6]O[5]C)(N[6]C[5a,6]S)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,3|C<3>}	N[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6]C[5]H)(SC[6a]OO){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	H(C[5,6]C[5,6]C[5]N[6])	110.5580	0.000	1	110.5580	0.000	1	110.5580	0.000	1	109.7050	1.455	2	109.6610	2.521	135	109.4897	2.303	192
474	856	951	0:SP3_SP-NON_SP3	C[5,6]	N[6]	H	4:3:4:1:	3:4:4:	4:	C[5,6]-4:N[6]-3:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:S-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(N[6]C[6,6a]S)(C[5]C[5]HH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO)	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[5]O[6]H)(N[6]C[6,6a]S)(C[5]C[5]HH)(H){2|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]N[6])	108.8520	0.000	1	108.8520	0.000	1	108.8520	0.000	1	109.7050	1.455	2	109.6610	2.521	135	109.4897	2.303	192
474	856	951	0:SP3_SP-NON_SP3	C[5,6]	N[6]	H	4:3:4:1:	4:3:4:	4:	C[5,6,6]-4:N[6]-3:C[5]-4:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(N[6]C[6a]C[6])(C[5]C[5]HO)(H)	N[6](C[5,6]C[5,6,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[5,6]C[5,6,6]C[5]N[6])	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(N[6]C[6a]C[6])(C[5]C[5]HO)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	N[6](C[5,6]C[5,6,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|N<3>,1|O<2>,4|C<3>,5|H<1>}	H(C[5,6]C[5,6,6]C[5]N[6])	108.1960	0.000	1	108.1960	0.000	1	108.1960	0.000	1	108.1960	0.000	1	109.6610	2.521	135	109.4897	2.303	192
474	856	951	0:SP3_SP-NON_SP3	C[5,6]	N[6]	H	4:3:4:1:	4:4:1:	4:	C[5,6]-4:N[6]-3:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]N[6]H)(N[6]C[6,6]H)(C[5]O[5]HH)(H)	N[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]3)(H)	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[5]N[6]H)(N[6]C[6,6]H)(C[5]O[5]HH)(H){2|H<1>,4|C<4>}	N[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]3)(H){1|N<3>,1|O<2>,3|C<4>,9|H<1>}	H(C[5,6]C[5,6]C[5]N[6])	107.4600	0.000	1	107.4600	0.000	1	107.4600	0.000	1	107.4600	0.000	1	109.6610	2.521	135	109.4897	2.303	192
474	856	951	0:SP3_SP-NON_SP3	C[5,6]	N[6]	H	4:4:3:1:	3:4:1:	4:	C[5,6]-4:C[5,6]-4:N[6]-3:H-1:	C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2H)(H)	H(C[5,6]C[5,6]2N[6])	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(H){2|C<3>,2|C<4>,7|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2H)(H){2|C<3>,2|H<1>,5|C<4>}	H(C[5,6]C[5,6]2N[6])	108.2710	0.000	1	108.2710	0.000	1	108.2710	0.000	1	108.0840	0.070	2	109.6610	2.521	135	109.4897	2.303	192
474	856	951	0:SP3_SP-NON_SP3	C[5,6]	N[6]	H	4:4:3:1:	3:4:1:	4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[6a]C[5]H)(N[6]C[6,6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[6a]C[5]H)(N[6]C[6,6a]H)(H){1|O<1>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[5]N[6])	107.8970	0.000	1	107.8970	0.000	1	107.8970	0.000	1	108.0840	0.070	2	109.6610	2.521	135	109.4897	2.303	192
474	856	951	0:SP3_SP-NON_SP3	C[5,6]	N[6]	H	4:4:3:1:	4:4:1:	4:	C[5,3x6]-4:C[5,6,6]-4:N[6]-3:H-1:	C[5,6]-4:C[6]-4:Cl-1:	C[5,6]-4:	C[5,6](C[5,3x6]C[5,3x6]C[3x6]C[6])(C[5,6,6]C[5,4x6]C[6,6]H)(N[6]C[6]Cl)(H)	N[6](C[5,6]C[5,3x6]C[5,6,6]H)(C[6]C[6,6]HH)(Cl)	H(C[5,6]C[5,3x6]C[5,6,6]N[6])	C[5,6](C[5,3x6]C[5,3x6]C[3x6]C[6])(C[5,6,6]C[5,4x6]C[6,6]H)(N[6]C[6]Cl)(H){1|O<2>,7|C<4>,7|H<1>}	N[6](C[5,6]C[5,3x6]C[5,6,6]H)(C[6]C[6,6]HH)(Cl){1|H<1>,7|C<4>}	H(C[5,6]C[5,3x6]C[5,6,6]N[6])	110.3340	0.000	1	110.3340	0.000	1	110.3340	0.000	1	111.2970	0.991	3	109.6610	2.521	135	109.4897	2.303	192
474	856	951	0:SP3_SP-NON_SP3	C[5,6]	N[6]	H	4:4:3:1:	4:4:1:	4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]S[6]H)(C[5]N[6a]O[5]H)(N[6]C[6]H)(H)	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[5]S[6]H)(C[5]N[6a]O[5]H)(N[6]C[6]H)(H){2|C<3>,2|C<4>,2|O<1>,3|H<1>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<2>,1|S<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]N[6])	112.3220	0.000	1	112.3220	0.000	1	112.3220	0.000	1	111.2970	0.991	3	109.6610	2.521	135	109.4897	2.303	192
474	856	951	0:SP3_SP-NON_SP3	C[5,6]	N[6]	H	4:4:3:1:	4:4:1:	4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:S[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HO)(C[5]N[6a]O[5]H)(N[6]S[6]H)(H)	N[6](C[5,6]C[5,6]C[5]H)(S[6]C[6]OO)(H)	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[5,6]HO)(C[5]N[6a]O[5]H)(N[6]S[6]H)(H){2|C<3>,2|C<4>,2|O<1>}	N[6](C[5,6]C[5,6]C[5]H)(S[6]C[6]OO)(H){1|C<4>,1|N<3>,2|O<2>,4|H<1>}	H(C[5,6]C[5,6]C[5]N[6])	111.2350	0.000	1	111.2350	0.000	1	111.2350	0.000	1	111.2970	0.991	3	109.6610	2.521	135	109.4897	2.303	192
474	856	951	0:SP3_SP-NON_SP3	C[5,6]	N[6]	H	4:4:3:1:	4:4:3:	4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:C[6]-4:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(N[6]C[6]C)(H)	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(COO)	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,4|H<1>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(COO){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]N[6])	107.3270	0.000	1	107.3270	0.000	1	107.3270	0.000	1	107.3270	0.000	1	109.6610	2.521	135	109.4897	2.303	192
474	856	951	0:SP3_SP-NON_SP3	C[5,6]	N[6]	H	4:4:3:1:	4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:N[6]-3:H-1:	C[5,6]-4:C[6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(N[6]C[6]2)(H)	N[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]HH)2	H(C[5,6]C[5,5,6]C[5,6]N[6])	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(N[6]C[6]2)(H){1|C<3>,2|C<4>,9|H<1>}	N[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]HH)2{1|N<3>,1|O<1>,2|H<1>,6|C<4>}	H(C[5,6]C[5,5,6]C[5,6]N[6])	104.1540	0.000	1	104.1540	0.000	1	104.1540	0.000	1	108.6265	4.447	16	109.6610	2.521	135	109.4897	2.303	192
474	856	951	0:SP3_SP-NON_SP3	C[5,6]	N[6]	H	4:4:3:1:	4:4:4:	4:	C[5,5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:C[6]-4:S-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5]C[5]HH)(N[6]C[6]S)(H)	N[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(SC[6a]OO)	H(C[5,6]C[5,5,6]C[5]N[6])	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5]C[5]HH)(N[6]C[6]S)(H){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	N[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5]N[6])	107.9820	0.000	1	107.9820	0.000	1	107.9820	0.000	1	108.6265	4.447	16	109.6610	2.521	135	109.4897	2.303	192
474	856	951	0:SP3_SP-NON_SP3	C[5,6]	N[6]	H	4:4:3:1:	4:4:4:	4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,5a]C[6]H)(C[5]C[5,5a]HS)(N[6]C[6]C)(H)	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CC[6a]HH)	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[5,5a]C[6]H)(C[5]C[5,5a]HS)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]N[6])	106.6180	0.000	1	106.6180	0.000	1	107.4785	1.402	6	108.6265	4.447	16	109.6610	2.521	135	109.4897	2.303	192
474	856	951	0:SP3_SP-NON_SP3	C[5,6]	N[6]	H	4:4:3:1:	4:4:4:	4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6a]C[6])(C[5]C[5,6a]HH)(N[6]C[6]C)(H)	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHH)	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[5,6a]C[6a]C[6])(C[5]C[5,6a]HH)(N[6]C[6]C)(H){3|H<1>,5|C<3>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHH){2|H<1>,5|C<3>}	H(C[5,6]C[5,6]C[5]N[6])	107.5943	0.372	3	107.5943	0.139	3	107.4785	1.402	6	108.6265	4.447	16	109.6610	2.521	135	109.4897	2.303	192
474	856	951	0:SP3_SP-NON_SP3	C[5,6]	N[6]	H	4:4:3:1:	4:4:4:	4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]N[6]H)(C[5]O[5]HH)(N[6]C[6]C)(H)	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(CC[6a]HH)	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[5]N[6]H)(C[5]O[5]HH)(N[6]C[6]C)(H){1|C<4>,5|H<1>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(CC[6a]HH){1|N<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]N[6])	109.4410	0.000	1	109.4410	0.000	1	107.4785	1.402	6	108.6265	4.447	16	109.6610	2.521	135	109.4897	2.303	192
474	856	951	0:SP3_SP-NON_SP3	C[5,6]	N[6]	H	4:4:3:1:	4:4:4:	4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(N[6]C[6]C)(H)	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CC[6a]CH)	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(N[6]C[6]C)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CC[6a]CH){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	H(C[5,6]C[5,6]C[5]N[6])	106.0290	0.000	1	106.0290	0.000	1	107.4785	1.402	6	108.6265	4.447	16	109.6610	2.521	135	109.4897	2.303	192
474	856	951	0:SP3_SP-NON_SP3	C[5,6]	N[6]	H	4:4:3:1:	4:4:4:	4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:C[6]-4:S-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HO)(N[6]C[6]S)(H)	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(SC[6a]OO)	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HO)(N[6]C[6]S)(H){1|C<4>,5|H<1>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(SC[6a]OO){1|O<2>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]N[6])	111.5490	0.000	1	111.5490	0.000	1	110.1271	1.907	8	108.6265	4.447	16	109.6610	2.521	135	109.4897	2.303	192
474	856	951	0:SP3_SP-NON_SP3	C[5,6]	N[6]	H	4:4:3:1:	4:4:4:	4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:C[6]-4:S-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]CH)(N[6]C[6]S)(H)	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(SC[6a]OO)	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]CH)(N[6]C[6]S)(H){1|C<4>,3|H<1>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(SC[6a]OO){1|O<2>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]N[6])	111.7820	0.000	1	111.7820	0.000	1	110.1271	1.907	8	108.6265	4.447	16	109.6610	2.521	135	109.4897	2.303	192
474	856	951	0:SP3_SP-NON_SP3	C[5,6]	N[6]	H	4:4:3:1:	4:4:4:	4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:C[6]-4:S-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HO)(C[5]N[5]HH)(N[6]C[6]S)(H)	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(SC[6a]OO)	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[5,6]HO)(C[5]N[5]HH)(N[6]C[6]S)(H){1|C<4>,1|S<4>,3|H<1>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|N<3>,2|O<2>,4|H<1>}	H(C[5,6]C[5,6]C[5]N[6])	111.1330	0.231	2	111.1330	0.053	2	110.1271	1.907	8	108.6265	4.447	16	109.6610	2.521	135	109.4897	2.303	192
474	856	951	0:SP3_SP-NON_SP3	C[5,6]	N[6]	H	4:4:3:1:	4:4:4:	4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:C[6]-4:S-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5]C[5,6a]CH)(N[6]C[6]S)(H)	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(SC[6a]OO)	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5]C[5,6a]CH)(N[6]C[6]S)(H){2|H<1>,4|C<3>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(SC[6a]OO){1|C<4>,2|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[5]N[6])	108.9500	0.000	2	108.9500	0.000	2	110.1271	1.907	8	108.6265	4.447	16	109.6610	2.521	135	109.4897	2.303	192
474	856	951	0:SP3_SP-NON_SP3	C[5,6]	N[6]	H	4:4:3:1:	4:4:4:	4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:C[6]-4:S-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5]C[5,6a]HH)(N[6]C[6]S)(H)	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(SC[6a]OO)	H(C[5,6]C[5,6]C[5]N[6])	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5]C[5,6a]HH)(N[6]C[6]S)(H){2|H<1>,4|C<3>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(SC[6a]OO){3|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[5]N[6])	108.7600	0.000	2	108.7600	0.000	2	110.1271	1.907	8	108.6265	4.447	16	109.6610	2.521	135	109.4897	2.303	192
474	856	951	0:SP3_SP-NON_SP3	C[5]	N[6,6]	H	3:3:4:1:	4:4:3:	4:	C[5,6a]-3:N[6,6]-3:C[5]-4:H-1:	C[5]-4:C[6,6]-4:P[6,6]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[6,6]C[6,6]P[6,6])(C[5]C[5]HH)(H)	N[6,6](C[5]C[5,6a]C[5]H)(C[6,6]C[6,6a]2H)(P[6,6]O[6]2)	H(C[5]C[5,6a]N[6,6]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[6,6]C[6,6]P[6,6])(C[5]C[5]HH)(H){2|O<2>,4|C<3>,4|H<1>}	N[6,6](C[5]C[5,6a]C[5]H)(C[6,6]C[6,6a]2H)(P[6,6]O[6]2){1|C<4>,2|H<1>,6|C<3>}	H(C[5]C[5,6a]N[6,6]C[5])	108.1960	0.000	1	108.1960	0.000	1	108.1960	0.000	1	108.1960	0.000	1	108.1960	0.000	1	109.4897	2.303	192
474	856	951	0:SP3_SP-NON_SP3	C[5]	N[6]	H	3:3:2:1:	4:4:4:	4:	C[5,6a]-3:N[6]-3:O[5]-2:H-1:	C[5]-4:C[6]-4:C[6]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[6]C[6]2)(O[5]C[5])(H)	N[6](C[5]C[5,6a]O[5]H)(C[6]C[6]HH)2	H(C[5]C[5,6a]N[6]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[6]C[6]2)(O[5]C[5])(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	N[6](C[5]C[5,6a]O[5]H)(C[6]C[6]HH)2{1|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5,6a]N[6]O[5])	108.7210	0.000	1	108.6800	0.029	4	108.6800	0.029	4	108.6800	0.029	4	108.4080	1.021	26	109.4897	2.303	192
474	856	951	0:SP3_SP-NON_SP3	C[5]	N[6]	H	3:3:2:1:	4:4:4:	4:	C[5,6a]-3:N[6]-3:O[5]-2:H-1:	C[5]-4:C[6]-4:C[6]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[6]C[6]2)(O[5]C[5])(H)	N[6](C[5]C[5,6a]O[5]H)(C[6]C[6]HH)2	H(C[5]C[5,6a]N[6]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[6]C[6]2)(O[5]C[5])(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	N[6](C[5]C[5,6a]O[5]H)(C[6]C[6]HH)2{1|N<3>,3|C<3>,4|H<1>}	H(C[5]C[5,6a]N[6]O[5])	108.7810	0.000	1	108.6800	0.029	4	108.6800	0.029	4	108.6800	0.029	4	108.4080	1.021	26	109.4897	2.303	192
474	856	951	0:SP3_SP-NON_SP3	C[5]	N[6]	H	3:3:2:1:	4:4:4:	4:	C[5,6a]-3:N[6]-3:O[5]-2:H-1:	C[5]-4:C[6]-4:C[6]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[6]C[6]2)(O[5]C[5])(H)	N[6](C[5]C[5,6a]O[5]H)(C[6]C[6]HH)2	H(C[5]C[5,6a]N[6]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[6]C[6]2)(O[5]C[5])(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	N[6](C[5]C[5,6a]O[5]H)(C[6]C[6]HH)2{1|O<2>,3|C<3>,4|H<1>}	H(C[5]C[5,6a]N[6]O[5])	108.6090	0.257	2	108.6800	0.029	4	108.6800	0.029	4	108.6800	0.029	4	108.4080	1.021	26	109.4897	2.303	192
474	856	951	0:SP3_SP-NON_SP3	C[5]	N[6]	H	3:3:3:1:	4:4:4:	4:	C[5,6a]-3:C[5,6a]-3:N[6]-3:H-1:	C[5]-4:C[6]-4:C[6]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(N[6]C[6]2)(H)	N[6](C[5]C[5,6a]2H)(C[6]C[6]HH)2	H(C[5]C[5,6a]2N[6])	C[5](C[5,6a]C[5,6a]C[6a])2(N[6]C[6]2)(H){2|C<4>,4|C<3>,6|H<1>}	N[6](C[5]C[5,6a]2H)(C[6]C[6]HH)2{1|O<2>,4|C<3>,4|H<1>}	H(C[5]C[5,6a]2N[6])	107.0260	0.000	1	108.5827	1.845	3	108.5827	1.845	3	108.4563	0.785	6	108.4080	1.021	26	109.4897	2.303	192
474	856	951	0:SP3_SP-NON_SP3	C[5]	N[6]	H	3:3:3:1:	4:4:4:	4:	C[5,6a]-3:C[5,6a]-3:N[6]-3:H-1:	C[5]-4:C[6]-4:C[6]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(N[6]C[6]2)(H)	N[6](C[5]C[5,6a]2H)(C[6]C[6]HH)2	H(C[5]C[5,6a]2N[6])	C[5](C[5,6a]C[5,6a]C[6a])2(N[6]C[6]2)(H){2|C<4>,5|C<3>,5|H<1>}	N[6](C[5]C[5,6a]2H)(C[6]C[6]HH)2{1|O<2>,4|C<3>,4|H<1>}	H(C[5]C[5,6a]2N[6])	109.3610	0.235	2	108.5827	1.845	3	108.5827	1.845	3	108.4563	0.785	6	108.4080	1.021	26	109.4897	2.303	192
474	856	951	0:SP3_SP-NON_SP3	C[5]	N[6]	H	3:3:3:1:	4:4:4:	4:	C[5,6a]-3:C[5,6a]-3:N[6]-3:H-1:	C[6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(N[6]C[6]2)(H)	N[6](C[6]C[6,6a]C[5a]H)(C[5]C[5,6a]2H)(C[6]C[6]HH)	H(C[5]C[5,6a]2N[6])	C[5](C[5,6a]C[5,6a]C[6a])2(N[6]C[6]2)(H){1|C<4>,5|H<1>,6|C<3>}	N[6](C[6]C[6,6a]C[5a]H)(C[5]C[5,6a]2H)(C[6]C[6]HH){1|N<2>,1|N<3>,2|H<1>,6|C<3>}	H(C[5]C[5,6a]2N[6])	108.4745	0.112	2	108.4745	0.013	2	108.3300	0.069	3	108.4563	0.785	6	108.4080	1.021	26	109.4897	2.303	192
474	856	951	0:SP3_SP-NON_SP3	C[5]	N[6]	H	3:3:3:1:	4:4:4:	4:	C[5,6a]-3:C[5,6a]-3:N[6]-3:H-1:	C[6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(N[6]C[6]2)(H)	N[6](C[6]C[6,6a]N[5a]H)(C[5]C[5,6a]2H)(C[6]C[6]HH)	H(C[5]C[5,6a]2N[6])	C[5](C[5,6a]C[5,6a]C[6a])2(N[6]C[6]2)(H){1|C<4>,1|N<3>,5|C<3>,5|H<1>}	N[6](C[6]C[6,6a]N[5a]H)(C[5]C[5,6a]2H)(C[6]C[6]HH){1|N<2>,2|H<1>,7|C<3>}	H(C[5]C[5,6a]2N[6])	108.0410	0.000	1	108.0410	0.000	1	108.3300	0.069	3	108.4563	0.785	6	108.4080	1.021	26	109.4897	2.303	192
474	856	951	0:SP3_SP-NON_SP3	C[5]	N[6]	H	3:4:3:1:	4:4:4:	4:	C[5,6a]-3:C[5]-4:N[6]-3:H-1:	C[5]-4:C[6]-4:C[6]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(N[6]C[6]2)(H)	N[6](C[5]C[5,6a]C[5]H)(C[6]C[6]HH)2	H(C[5]C[5,6a]C[5]N[6])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(N[6]C[6]2)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	N[6](C[5]C[5,6a]C[5]H)(C[6]C[6]HH)2{1|C<4>,1|O<2>,2|C<3>,6|H<1>}	H(C[5]C[5,6a]C[5]N[6])	107.4880	0.000	1	107.4880	0.000	1	107.4880	0.000	1	107.4880	0.000	1	108.4080	1.021	26	109.4897	2.303	192
474	856	951	0:SP3_SP-NON_SP3	C[5]	N[6]	H	4:2:3:1:	4:4:4:	4:	C[5]-4:O[5]-2:N[6]-3:H-1:	C[5]-4:C[6]-4:C[6]-4:	C[5]-4:	C[5](C[5]C[5,6a]CC)(O[5]C[5,6a])(N[6]C[6]2)(H)	N[6](C[5]C[5]O[5]H)(C[6]C[6]HH)2	H(C[5]C[5]N[6]O[5])	C[5](C[5]C[5,6a]CC)(O[5]C[5,6a])(N[6]C[6]2)(H){2|C<3>,2|C<4>,4|H<1>}	N[6](C[5]C[5]O[5]H)(C[6]C[6]HH)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5]N[6]O[5])	107.4060	0.000	1	107.4060	0.000	1	107.4060	0.000	1	107.4060	0.000	1	108.4080	1.021	26	109.4897	2.303	192
474	856	951	0:SP3_SP-NON_SP3	C[5]	N[6]	H	4:3:3:1:	4:4:4:	4:	C[5]-4:C[5]-3:N[6]-3:H-1:	C[5]-4:C[6]-4:C[6]-4:	C[5]-4:	C[5](C[5]C[5]C[6]H)(C[5]C[5]H)(N[6]C[6]2)(H)	N[6](C[5]C[5]2H)(C[6]C[6]HH)2	H(C[5]C[5]2N[6])	C[5](C[5]C[5]C[6]H)(C[5]C[5]H)(N[6]C[6]2)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	N[6](C[5]C[5]2H)(C[6]C[6]HH)2{1|N<4>,3|C<3>,6|H<1>}	H(C[5]C[5]2N[6])	107.3055	0.506	2	107.3055	0.256	2	107.3055	0.256	2	107.3055	0.256	2	108.4080	1.021	26	109.4897	2.303	192
474	856	951	0:SP3_SP-NON_SP3	C[5]	N[6]	H	4:4:3:1:	4:4:4:	4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5]-4:C[6]-4:C[6]-4:	C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]C)(C[5]C[5]ClH)(N[6]C[6]2)(H)	N[6](C[5]C[5,6]C[5]H)(C[6]C[6]HH)2	H(C[5]C[5,6]C[5]N[6])	C[5](C[5,6]C[6,6a]C[5,6]C)(C[5]C[5]ClH)(N[6]C[6]2)(H){2|C<3>,3|C<4>,7|H<1>}	N[6](C[5]C[5,6]C[5]H)(C[6]C[6]HH)2{1|Cl<1>,1|C<3>,1|O<2>,3|C<4>,5|H<1>}	H(C[5]C[5,6]C[5]N[6])	107.3050	0.000	1	107.3050	0.000	1	107.3665	0.008	2	108.6371	1.457	12	108.4080	1.021	26	109.4897	2.303	192
474	856	951	0:SP3_SP-NON_SP3	C[5]	N[6]	H	4:4:3:1:	4:4:4:	4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5]-4:C[6]-4:C[6]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(N[6]C[6]2)(H)	N[6](C[5]C[5,6]C[5]H)(C[6]C[6]HH)2	H(C[5]C[5,6]C[5]N[6])	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(N[6]C[6]2)(H){1|C<3>,4|C<4>,7|H<1>}	N[6](C[5]C[5,6]C[5]H)(C[6]C[6]HH)2{1|N<3>,3|C<4>,7|H<1>}	H(C[5]C[5,6]C[5]N[6])	107.4280	0.000	1	107.4280	0.000	1	107.3665	0.008	2	108.6371	1.457	12	108.4080	1.021	26	109.4897	2.303	192
474	856	951	0:SP3_SP-NON_SP3	C[5]	N[6]	H	4:4:3:1:	4:4:4:	4:	C[5]-4:C[5]-4:N[6]-3:H-1:	C[5]-4:C[6]-4:C[6]-4:	C[5]-4:	C[5](C[5]C[5]BH)(C[5]C[5]HH)(N[6]C[6]2)(H)	N[6](C[5]C[5]2H)(C[6]C[6]HH)2	H(C[5]C[5]2N[6])	C[5](C[5]C[5]BH)(C[5]C[5]HH)(N[6]C[6]2)(H){2|C<4>,8|H<1>}	N[6](C[5]C[5]2H)(C[6]C[6]HH)2{1|B<4>,3|C<4>,7|H<1>}	H(C[5]C[5]2N[6])	106.8430	0.953	2	106.8430	0.909	2	108.5525	2.073	6	108.6371	1.457	12	108.4080	1.021	26	109.4897	2.303	192
474	856	951	0:SP3_SP-NON_SP3	C[5]	N[6]	H	4:4:3:1:	4:4:4:	4:	C[5]-4:C[5]-4:N[6]-3:H-1:	C[5]-4:C[6]-4:C[6]-4:	C[5]-4:	C[5](C[5]C[5]HH)2(N[6]C[6]2)(H)	N[6](C[5]C[5]2H)(C[6]C[6]HH)2	H(C[5]C[5]2N[6])	C[5](C[5]C[5]HH)2(N[6]C[6]2)(H){1|S<4>,2|C<4>,7|H<1>}	N[6](C[5]C[5]2H)(C[6]C[6]HH)2{1|N<3>,2|C<4>,8|H<1>}	H(C[5]C[5]2N[6])	109.4073	0.478	4	109.4073	0.229	4	108.5525	2.073	6	108.6371	1.457	12	108.4080	1.021	26	109.4897	2.303	192
474	856	951	0:SP3_SP-NON_SP3	C[5]	N[6]	H	4:4:3:1:	4:4:4:	4:	C[5]-4:C[5]-4:N[6]-3:H-1:	C[6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[5]C[5]HH)2(N[6]C[6]2)(H)	N[6](C[6]C[6,6a]HH)(C[5]C[5]2H)(C[6]C[6]HH)	H(C[5]C[5]2N[6])	C[5](C[5]C[5]HH)2(N[6]C[6]2)(H){1|C<3>,1|C<4>,1|S<4>,7|H<1>}	N[6](C[6]C[6,6a]HH)(C[5]C[5]2H)(C[6]C[6]HH){2|C<3>,2|C<4>,6|H<1>}	H(C[5]C[5]2N[6])	109.3992	0.143	4	109.3992	0.020	4	109.3992	0.020	4	108.6371	1.457	12	108.4080	1.021	26	109.4897	2.303	192
474	856	956	0:SP3_SP2_SP3	C[5,3x6]	N[6,6]	N	4:4:3:3:	4:3:1:	4:1:1:	C[4,5,6,6]-4:C[5,5,3x6]-4:N[6,6]-3:N-3:	C[5,3x6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:H-1:H-1:	C[5,3x6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,3x6]C[5,5,3x6]C[3x5,6]H)(N[6,6]C[6,6]H)(NHH)	N[6,6](C[5,3x6]C[4,5,6,6]C[5,5,3x6]N)(C[6,6]C[5,3x6]O)(H)	N(C[5,3x6]C[4,5,6,6]C[5,5,3x6]N[6,6])(H)2	C[5,3x6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,3x6]C[5,5,3x6]C[3x5,6]H)(N[6,6]C[6,6]H)(NHH){1|O<1>,4|C<4>,4|H<1>}	N[6,6](C[5,3x6]C[4,5,6,6]C[5,5,3x6]N)(C[6,6]C[5,3x6]O)(H){1|O<2>,2|H<1>,4|C<4>}	N(C[5,3x6]C[4,5,6,6]C[5,5,3x6]N[6,6])(H)2	112.3810	0.000	1	112.3810	0.000	1	112.3810	0.000	1	112.3810	0.000	1	112.3810	0.000	1	112.3810	0.000	1
474	856	976	0:SP3_SP2_SP2	C[5,6,6]	N[6,6]	O[5]	3:4:3:2:	4:3:3:	4:3:	N[6,6]-3:C[5,6]-4:C[6]-3:O[5]-2:	C[5,6,6]-4:C[6,6a]-3:C[6]-3:	C[5,6,6]-4:C[5]-3:	C[5,6,6](N[6,6]C[6,6a]C[6])(C[5,6]C[5]C[6]H)(C[6]N[5,6]O)(O[5]C[5])	N[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)	O[5](C[5,6,6]C[5,6]N[6,6]C[6])(C[5]C[5]H)	C[5,6,6](N[6,6]C[6,6a]C[6])(C[5,6]C[5]C[6]H)(C[6]N[5,6]O)(O[5]C[5]){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	N[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	O[5](C[5,6,6]C[5,6]N[6,6]C[6])(C[5]C[5]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	107.8570	0.000	1	107.8570	0.000	1	107.8570	0.000	1	107.8570	0.000	1	106.4875	3.751	2	108.0980	1.842	10
474	856	976	0:SP3_SP2_SP2	C[5,6,6]	N[6,6]	O[5]	4:3:3:2:	4:3:3:	4:3:	C[5,6]-4:N[6,6]-3:C[6]-3:O[5]-2:	C[5,6,6]-4:C[6,6a]-3:C[6]-3:	C[5,6,6]-4:C[5]-3:	C[5,6,6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6a]C[6])(C[6]N[5,6]O)(O[5]C[5])	N[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6a]C[5,6,6a]C[6a])(C[6]C[5,6]O)	O[5](C[5,6,6]C[5,6]N[6,6]C[6])(C[5]C[5]H)	C[5,6,6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6a]C[6])(C[6]N[5,6]O)(O[5]C[5]){1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	N[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6a]C[5,6,6a]C[6a])(C[6]C[5,6]O){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	O[5](C[5,6,6]C[5,6]N[6,6]C[6])(C[5]C[5]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	105.1180	0.000	1	105.1180	0.000	1	105.1180	0.000	1	105.1180	0.000	1	106.4875	3.751	2	108.0980	1.842	10
474	856	976	0:SP3_SP2_SP2	C[5,6]	N[6]	O[5]	3:3:3:2:	4:3:3:	4:3:	N[6]-3:N[6]-3:C[5]-3:O[5]-2:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,6]-4:C[5]-3:	C[5,6](N[6]C[6a]C[6])2(C[5]N[5]O)(O[5]C[5])	N[6](C[5,6]C[5]N[6]O[5])(C[6a]C[6a]2)(C[6]C[6]O)	O[5](C[5,6]C[5]N[6]2)(C[5]N[5]N)	C[5,6](N[6]C[6a]C[6])2(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|N<2>,2|O<1>,5|C<3>}	N[6](C[5,6]C[5]N[6]O[5])(C[6a]C[6a]2)(C[6]C[6]O){1|N<3>,1|O<1>,4|C<4>,5|C<3>}	O[5](C[5,6]C[5]N[6]2)(C[5]N[5]N){1|O<1>,5|C<3>}	108.5715	0.302	2	108.5715	0.091	2	108.5715	0.091	2	108.5715	0.091	2	108.5006	0.906	8	108.0980	1.842	10
474	856	976	0:SP3_SP2_SP2	C[5,6]	N[6]	O[5]	3:3:4:2:	4:3:3:	4:3:	N[6]-3:N[6]-3:C[5]-4:O[5]-2:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,6]-4:C[5]-3:	C[5,6](N[6]C[6a]C[6])2(C[5]C[5]HH)(O[5]C[5])	N[6](C[5,6]C[5]N[6]O[5])(C[6a]C[6a]2)(C[6]C[6]O)	O[5](C[5,6]C[5]N[6]2)(C[5]C[5]C)	C[5,6](N[6]C[6a]C[6])2(C[5]C[5]HH)(O[5]C[5]){1|H<1>,2|C<4>,2|O<1>,4|C<3>}	N[6](C[5,6]C[5]N[6]O[5])(C[6a]C[6a]2)(C[6]C[6]O){2|H<1>,4|C<4>,6|C<3>}	O[5](C[5,6]C[5]N[6]2)(C[5]C[5]C){3|H<1>,4|C<3>}	107.6530	0.082	2	107.6530	0.007	2	107.6530	0.007	2	107.6530	0.007	2	108.5006	0.906	8	108.0980	1.842	10
474	856	976	0:SP3_SP2_SP2	C[5,6]	N[6]	O[5]	4:2:3:3:	4:3:1:	3:4:	C[5]-4:O[5]-2:C[6]-3:N[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[5]C[5,6a]HH)(O[5]C[5,6a])(C[6]N[6]O)(N[6]C[6]H)	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]O)(H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]N[6])	C[5,6](C[5]C[5,6a]HH)(O[5]C[5,6a])(C[6]N[6]O)(N[6]C[6]H){1|H<1>,1|O<1>,3|C<3>}	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]O)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]N[6]){1|N<3>,1|O<1>,3|C<3>,4|H<1>}	109.0970	0.238	2	109.0970	0.056	2	109.0970	0.056	2	109.0970	0.056	2	108.5006	0.906	8	108.0980	1.842	10
474	856	976	0:SP3_SP2_SP2	C[5,6]	N[6]	O[5]	4:3:2:1:	3:4:3:	3:4:	C[5,6]-4:N[6]-3:O[5]-2:H-1:	C[6,6a]-3:C[5,6]-4:N-3:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]H)(N[6]C[6,6a]N)(O[5]C[5,6a])(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(NCC)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)	C[5,6](C[5,6]C[5,6a]C[6]H)(N[6]C[6,6a]N)(O[5]C[5,6a])(H){1|C<4>,1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(NCC){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	110.0890	0.000	1	110.0890	0.000	1	110.0890	0.000	1	110.0890	0.000	1	108.5006	0.906	8	108.0980	1.842	10
474	856	976	0:SP3_SP2_SP2	C[5,6]	N[6]	O[5]	4:3:2:3:	4:3:1:	3:4:	C[5,6]-4:C[6a]-3:O[5]-2:N[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]H)(C[6a]C[6a]2)(O[5]C[5,6a])(N[6]C[6]H)	N[6](C[5,6]C[5,6]C[6a]O[5])(C[6]C[6]O)(H)	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]C[6a]N[6])	C[5,6](C[5,6]C[5,6a]C[6]H)(C[6a]C[6a]2)(O[5]C[5,6a])(N[6]C[6]H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	N[6](C[5,6]C[5,6]C[6a]O[5])(C[6]C[6]O)(H){1|C<4>,3|H<1>,4|C<3>}	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]C[6a]N[6]){1|C<4>,2|H<1>,6|C<3>}	107.2730	0.000	1	107.2730	0.000	1	107.2730	0.000	1	107.2730	0.000	1	108.5006	0.906	8	108.0980	1.842	10
474	856	976	0:SP3_SP2_SP3	C[5,5,6]	N[6]	O[5]	4:3:3:2:	4:3:1:	4:4:	C[5,5,6,6]-4:C[5,6a]-3:N[6]-3:O[5]-2:	C[5,5,6]-4:C[6,6a]-3:H-1:	C[5,5,6]-4:C[5,5]-4:	C[5,5,6](C[5,5,6,6]C[5,6,6a]C[5,5,6]N[6])(C[5,6a]C[5,6a,6a]C[5a,6a])(N[6]C[6,6a]H)(O[5]C[5,5])	N[6](C[5,5,6]C[5,5,6,6]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6a])(H)	O[5](C[5,5,6]C[5,5,6,6]C[5,6a]N[6])(C[5,5]C[5,5,6]C[5,6a]O)	C[5,5,6](C[5,5,6,6]C[5,6,6a]C[5,5,6]N[6])(C[5,6a]C[5,6a,6a]C[5a,6a])(N[6]C[6,6a]H)(O[5]C[5,5]){1|O<2>,2|H<1>,8|C<3>}	N[6](C[5,5,6]C[5,5,6,6]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,1|N<3>,2|C<4>,5|C<3>}	O[5](C[5,5,6]C[5,5,6,6]C[5,6a]N[6])(C[5,5]C[5,5,6]C[5,6a]O){1|N<3>,2|H<1>,7|C<3>}	112.5510	0.000	1	112.5510	0.000	1	112.5510	0.000	1	112.5510	0.000	1	112.5510	0.000	1	108.7203	3.136	89
474	856	976	0:SP3_SP2_SP3	C[5,6,6]	N[6]	O[5]	4:4:3:2:	4:4:4:	4:3:	C[5,6,6]-4:C[5,6]-4:N[6]-3:O[5]-2:	C[5,6,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[5]-3:	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])(C[5,6]C[5,6]HH)(N[6]C[6]C)(O[5]C[5])	N[6](C[5,6,6]C[5,6,6]C[5,6]O[5])(C[6]C[6]HH)(CCHH)	O[5](C[5,6,6]C[5,6,6]C[5,6]N[6])(C[5]C[5,6]O)	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])(C[5,6]C[5,6]HH)(N[6]C[6]C)(O[5]C[5]){1|O<1>,5|C<4>,7|H<1>}	N[6](C[5,6,6]C[5,6,6]C[5,6]O[5])(C[6]C[6]HH)(CCHH){1|C<3>,4|C<4>,4|H<1>}	O[5](C[5,6,6]C[5,6,6]C[5,6]N[6])(C[5]C[5,6]O){3|H<1>,6|C<4>}	106.7505	0.052	2	106.7505	0.003	2	106.7505	0.003	2	106.7505	0.003	2	106.7505	0.003	2	108.7203	3.136	89
474	856	976	0:SP3_SP2_SP3	C[5,6]	N[6]	O[5]	3:2:2:3:	4:3:4:	4:4:	C[6]-3:O[5]-2:O[5]-2:N[6]-3:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C[3,5]-4:	C[5,6](C[6]C[6,6a]O)(O[5]C[3,5])2(N[6]C[6]C)	N[6](C[5,6]C[6]O[5]2)(C[6]C[6,6a]O)(CH3)	O[5](C[5,6]C[6]N[6]O[5])(C[3,5]C[3,5]C[3]2)	C[5,6](C[6]C[6,6a]O)(O[5]C[3,5])2(N[6]C[6]C){1|O<1>,2|C<3>,4|C<4>}	N[6](C[5,6]C[6]O[5]2)(C[6]C[6,6a]O)(CH3){1|O<1>,2|C<3>,2|C<4>}	O[5](C[5,6]C[6]N[6]O[5])(C[3,5]C[3,5]C[3]2){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	109.5240	0.949	2	109.5240	0.900	2	109.5240	0.900	2	109.5240	0.900	2	108.5130	4.143	27	108.7203	3.136	89
474	856	976	0:SP3_SP2_SP3	C[5,6]	N[6]	O[5]	3:3:2:2:	4:3:4:	4:4:	C[6,6a]-3:N[6]-3:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-3:S-4:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(O[5]C[5])2	N[6](C[5,6]C[6,6a]O[5]2)(C[6]C[6]H)(SC[6a]OO)	O[5](C[5,6]C[6,6a]N[6]O[5])(C[5]C[5]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(O[5]C[5])2{3|C<3>,6|H<1>}	N[6](C[5,6]C[6,6a]O[5]2)(C[6]C[6]H)(SC[6a]OO){1|H<1>,2|C<3>,2|C<4>}	O[5](C[5,6]C[6,6a]N[6]O[5])(C[5]C[5]HH){1|S<4>,2|H<1>,3|C<3>}	109.3520	1.628	2	109.3520	2.650	2	109.3520	2.650	2	109.3520	2.650	2	108.5130	4.143	27	108.7203	3.136	89
474	856	976	0:SP3_SP2_SP3	C[5,6]	N[6]	O[5]	3:3:3:2:	4:3:3:	4:4:	N[6]-3:C[6]-3:C[5]-3:O[5]-2:	C[5,6]-4:C[6]-3:C[6a]-3:	C[5,6]-4:C[5]-4:	C[5,6](N[6]C[6a]C[6])(C[6]N[5,6]O)(C[5]C[5]H)(O[5]C[5])	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[5,6]O)(C[6a]C[6a]2)	O[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]CH)	C[5,6](N[6]C[6a]C[6])(C[6]N[5,6]O)(C[5]C[5]H)(O[5]C[5]){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[5,6]O)(C[6a]C[6a]2){1|N<3>,1|O<1>,3|C<3>,3|C<4>,3|H<1>}	O[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]CH){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	108.1783	0.665	3	108.1783	0.443	3	108.1783	0.443	3	108.2428	0.324	5	108.5130	4.143	27	108.7203	3.136	89
474	856	976	0:SP3_SP2_SP3	C[5,6]	N[6]	O[5]	3:3:3:2:	4:3:3:	4:4:	N[6]-3:C[6]-3:C[5]-3:O[5]-2:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,6]-4:C[5]-4:	C[5,6](N[6]C[6a]C[6])(C[6]N[5,6]O)(C[5]C[5]H)(O[5]C[5])	N[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6,6a]C[6a])(C[6]C[5,6]O)	O[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]C[6]H)	C[5,6](N[6]C[6a]C[6])(C[6]N[5,6]O)(C[5]C[5]H)(O[5]C[5]){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	N[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6,6a]C[6a])(C[6]C[5,6]O){1|N<3>,1|O<1>,3|C<3>,3|C<4>,3|H<1>}	O[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]C[6]H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	108.3395	0.616	2	108.3395	0.379	2	108.3395	0.379	2	108.2428	0.324	5	108.5130	4.143	27	108.7203	3.136	89
474	856	976	0:SP3_SP2_SP3	C[5,6]	N[6]	O[5]	3:4:4:2:	4:4:3:	4:4:	N[6]-3:C[5]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:C[5]-4:	C[5,6](N[6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]HH)(O[5]C[5])	N[6](C[5,6]C[5]C[6]O[5])(C[5]C[5,5]O[5]H)(C[6]N[6]O)	O[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]O[5]H)	C[5,6](N[6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]HH)(O[5]C[5]){1|N<3>,1|O<2>,2|C<4>,2|H<1>,2|O<1>}	N[6](C[5,6]C[5]C[6]O[5])(C[5]C[5,5]O[5]H)(C[6]N[6]O){1|C<3>,3|C<4>,3|O<2>,5|H<1>}	O[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]O[5]H){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	109.2330	0.000	1	109.2330	0.000	1	109.2330	0.000	1	109.2330	0.000	1	108.5130	4.143	27	108.7203	3.136	89
474	856	976	0:SP3_SP2_SP3	C[5,6]	N[6]	O[5]	4:3:2:1:	3:4:4:	4:4:	C[5,6]-4:N[6]-3:O[5]-2:H-1:	C[6,6a]-3:C[5,6]-4:S-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(N[6]C[6,6a]S)(O[5]C[5,6])(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(SC[6a]OO)	O[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]N[6]H)	C[5,6](C[5,6]C[5,6]C[6]H)(N[6]C[6,6a]S)(O[5]C[5,6])(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(SC[6a]OO){2|C<3>,2|H<1>,3|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]N[6]H){1|C<4>,1|N<3>,1|S<4>,2|C<3>,4|H<1>}	111.9040	0.000	1	111.9040	0.000	1	111.9040	0.000	1	111.9040	0.000	1	108.5130	4.143	27	108.7203	3.136	89
474	856	976	0:SP3_SP2_SP3	C[5,6]	N[6]	O[5]	4:3:2:1:	4:3:1:	4:4:	C[5,6,6]-4:N[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6,6a]-3:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(N[6]C[6,6a]H)(O[5]C[5])(H)	N[6](C[5,6]C[5,6,6]O[5]H)(C[6,6a]C[6,6a]C[6a])(H)	O[5](C[5,6]C[5,6,6]N[6]H)(C[5]C[5,6]HH)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(N[6]C[6,6a]H)(O[5]C[5])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	N[6](C[5,6]C[5,6,6]O[5]H)(C[6,6a]C[6,6a]C[6a])(H){2|C<3>,2|H<1>,3|C<4>}	O[5](C[5,6]C[5,6,6]N[6]H)(C[5]C[5,6]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	110.8670	0.000	1	110.8670	0.000	1	110.8670	0.000	1	110.8670	0.000	1	108.5130	4.143	27	108.7203	3.136	89
474	856	976	0:SP3_SP2_SP3	C[5,6]	N[6]	O[5]	4:3:3:2:	4:2:1:	4:4:	C[5,6]-4:C[6a]-3:N[6]-3:O[5]-2:	C[5,6]-4:N[6]-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6a]C[6a]N[6a])(N[6]N[6]H)(O[5]C[5])	N[6](C[5,6]C[5,6]C[6a]O[5])(N[6]C[6])(H)	O[5](C[5,6]C[5,6]C[6a]N[6])(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6]H)(C[6a]C[6a]N[6a])(N[6]N[6]H)(O[5]C[5]){1|C<4>,4|C<3>,5|H<1>}	N[6](C[5,6]C[5,6]C[6a]O[5])(N[6]C[6])(H){1|H<1>,1|N<2>,2|C<3>,3|C<4>}	O[5](C[5,6]C[5,6]C[6a]N[6])(C[5]C[5]HH){1|C<4>,2|C<3>,2|N<2>,3|H<1>}	109.9525	0.098	2	109.9525	0.010	2	109.9525	0.010	2	109.9525	0.010	2	108.5130	4.143	27	108.7203	3.136	89
474	856	976	0:SP3_SP2_SP3	C[5,6]	N[6]	O[5]	4:3:3:2:	4:3:4:	4:3:	C[5]-4:C[6]-3:N[6]-3:O[5]-2:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:N[5]-3:	C[5,6](C[5]C[5]HH)(C[6]N[6]O)(N[6]C[6]C)(O[5]N[5])	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[5,6]O)(CH3)	O[5](C[5,6]C[5]C[6]N[6])(N[5]C[6a]C[5])	C[5,6](C[5]C[5]HH)(C[6]N[6]O)(N[6]C[6]C)(O[5]N[5]){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[5,6]O)(CH3){1|O<1>,1|O<2>,2|C<4>,2|H<1>,2|N<3>}	O[5](C[5,6]C[5]C[6]N[6])(N[5]C[6a]C[5]){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	108.9760	0.000	1	108.9760	0.000	1	108.9760	0.000	1	108.9760	0.000	1	108.5130	4.143	27	108.7203	3.136	89
474	856	976	0:SP3_SP2_SP3	C[5,6]	N[6]	O[5]	4:3:3:2:	4:4:3:	4:2:	C[5]-4:N[6]-3:C[6]-3:O[5]-2:	C[5,6]-4:C[6]-4:C[6a]-3:	C[5,6]-4:N[5]-2:	C[5,6](C[5]C[6a]C[5]H)(N[6]C[6a]C[6])(C[6]C[6,6a]O)(O[5]N[5])	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6a]HH)(C[6a]C[6a]2)	O[5](C[5,6]C[5]C[6]N[6])(N[5]C[5])	C[5,6](C[5]C[6a]C[5]H)(N[6]C[6a]C[6])(C[6]C[6,6a]O)(O[5]N[5]){2|H<1>,7|C<3>}	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6a]HH)(C[6a]C[6a]2){1|N<2>,1|O<1>,3|H<1>,6|C<3>}	O[5](C[5,6]C[5]C[6]N[6])(N[5]C[5]){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	112.0290	0.000	1	112.0290	0.000	1	112.0290	0.000	1	112.0290	0.000	1	108.5130	4.143	27	108.7203	3.136	89
474	856	976	0:SP3_SP2_SP3	C[5,6]	N[6]	O[5]	4:4:2:3:	4:4:3:	4:4:	C[5]-4:C[6]-4:O[5]-2:N[6]-3:	C[5,6]-4:C[6]-4:C-3:	C[5,6]-4:C[5,5]-4:	C[5,6](C[5]C[5,5]CH)(C[6]C[6]HH)(O[5]C[5,5])(N[6]C[6]C)	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(CCO)	O[5](C[5,6]C[5]C[6]N[6])(C[5,5]C[5,5]C[5]H)	C[5,6](C[5]C[5,5]CH)(C[6]C[6]HH)(O[5]C[5,5])(N[6]C[6]C){3|C<4>,6|H<1>}	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(CCO){4|H<1>,5|C<4>}	O[5](C[5,6]C[5]C[6]N[6])(C[5,5]C[5,5]C[5]H){1|C<3>,5|C<4>,6|H<1>}	102.6630	0.000	1	102.6630	0.000	1	104.6577	7.137	3	104.6577	7.137	3	108.5130	4.143	27	108.7203	3.136	89
474	856	976	0:SP3_SP2_SP3	C[5,6]	N[6]	O[5]	4:4:2:3:	4:4:3:	4:4:	C[5]-4:C[6]-4:O[5]-2:N[6]-3:	C[5,6]-4:C[6]-4:C-3:	C[5,6]-4:C[5,5]-4:	C[5,6](C[5]C[5,5]CH)(C[6]C[6]HH)(O[5]C[5,5])(N[6]C[6]C)	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(COO)	O[5](C[5,6]C[5]C[6]N[6])(C[5,5]C[5,5]C[5]H)	C[5,6](C[5]C[5,5]CH)(C[6]C[6]HH)(O[5]C[5,5])(N[6]C[6]C){3|C<4>,6|H<1>}	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(COO){4|C<4>,5|H<1>}	O[5](C[5,6]C[5]C[6]N[6])(C[5,5]C[5,5]C[5]H){1|C<3>,5|C<4>,6|H<1>}	105.6550	2.882	2	105.6550	8.307	2	104.6577	7.137	3	104.6577	7.137	3	108.5130	4.143	27	108.7203	3.136	89
474	856	976	0:SP3_SP2_SP3	C[5,6]	N[6]	O[5]	4:4:3:2:	4:3:4:	4:4:	C[6]-4:C[5]-4:N[6]-3:O[5]-2:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6,6]HO)(C[5]C[5]HH)(N[6]C[6]C)(O[5]C[5])	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6]H)(CC[6a]HH)	O[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]HH)	C[5,6](C[6]C[6,6]HO)(C[5]C[5]HH)(N[6]C[6]C)(O[5]C[5]){2|C<3>,5|H<1>}	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6]H)(CC[6a]HH){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]HH){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	108.2940	0.456	6	108.2940	0.208	6	107.9996	0.541	8	107.9996	0.541	8	108.5130	4.143	27	108.7203	3.136	89
474	856	976	0:SP3_SP2_SP3	C[5,6]	N[6]	O[5]	4:4:3:2:	4:3:4:	4:4:	C[6]-4:C[5]-4:N[6]-3:O[5]-2:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6,6]HO)(C[5]C[5]HH)(N[6]C[6]C)(O[5]C[5])	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6]H)(CH3)	O[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]HH)	C[5,6](C[6]C[6,6]HO)(C[5]C[5]HH)(N[6]C[6]C)(O[5]C[5]){2|C<3>,5|H<1>}	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6]H)(CH3){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]HH){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	107.1165	0.815	2	107.1165	0.665	2	107.9996	0.541	8	107.9996	0.541	8	108.5130	4.143	27	108.7203	3.136	89
474	856	976	0:SP3_SP2_SP3	C[5]	N[6]	O[5]	3:3:2:1:	4:4:4:	4:3:	C[5,6a]-3:N[6]-3:O[5]-2:H-1:	C[5]-4:C[6]-4:C[6]-4:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[6]C[6]2)(O[5]C[5])(H)	N[6](C[5]C[5,6a]O[5]H)(C[6]C[6]HH)2	O[5](C[5]C[5,6a]N[6]H)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[6]C[6]2)(O[5]C[5])(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	N[6](C[5]C[5,6a]O[5]H)(C[6]C[6]HH)2{1|C<4>,3|C<3>,4|H<1>}	O[5](C[5]C[5,6a]N[6]H)(C[5]C[5,6a]O){2|C<3>,2|C<4>}	112.0790	0.000	1	112.6577	0.437	4	112.6577	0.437	4	112.6577	0.437	4	108.8170	2.484	59	108.7203	3.136	89
474	856	976	0:SP3_SP2_SP3	C[5]	N[6]	O[5]	3:3:2:1:	4:4:4:	4:3:	C[5,6a]-3:N[6]-3:O[5]-2:H-1:	C[5]-4:C[6]-4:C[6]-4:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[6]C[6]2)(O[5]C[5])(H)	N[6](C[5]C[5,6a]O[5]H)(C[6]C[6]HH)2	O[5](C[5]C[5,6a]N[6]H)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[6]C[6]2)(O[5]C[5])(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	N[6](C[5]C[5,6a]O[5]H)(C[6]C[6]HH)2{1|N<3>,3|C<3>,4|H<1>}	O[5](C[5]C[5,6a]N[6]H)(C[5]C[5,6a]O){2|C<3>,2|C<4>}	113.5370	0.000	1	112.6577	0.437	4	112.6577	0.437	4	112.6577	0.437	4	108.8170	2.484	59	108.7203	3.136	89
474	856	976	0:SP3_SP2_SP3	C[5]	N[6]	O[5]	3:3:2:1:	4:4:4:	4:3:	C[5,6a]-3:N[6]-3:O[5]-2:H-1:	C[5]-4:C[6]-4:C[6]-4:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[6]C[6]2)(O[5]C[5])(H)	N[6](C[5]C[5,6a]O[5]H)(C[6]C[6]HH)2	O[5](C[5]C[5,6a]N[6]H)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[6]C[6]2)(O[5]C[5])(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	N[6](C[5]C[5,6a]O[5]H)(C[6]C[6]HH)2{1|O<2>,3|C<3>,4|H<1>}	O[5](C[5]C[5,6a]N[6]H)(C[5]C[5,6a]O){2|C<3>,2|C<4>}	112.5075	0.398	2	112.6577	0.437	4	112.6577	0.437	4	112.6577	0.437	4	108.8170	2.484	59	108.7203	3.136	89
474	856	976	0:SP3_SP2_SP3	C[5]	N[6]	O[5]	3:4:2:1:	3:4:3:	4:4:	N[6]-3:C[5]-4:O[5]-2:H-1:	C[6,6]-3:C[5]-4:C[6]-3:	C[5]-4:C[5]-4:	C[5](N[6]C[6,6]C[6])(C[5]C[5]HO)(O[5]C[5])(H)	N[6](C[6,6]C[6,6]N[6])(C[5]C[5]O[5]H)(C[6]N[6]H)	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH)	C[5](N[6]C[6,6]C[6])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,2|N<2>,4|H<1>}	N[6](C[6,6]C[6,6]N[6])(C[5]C[5]O[5]H)(C[6]N[6]H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	107.6280	0.000	1	107.6280	0.000	1	107.6280	0.000	1	107.6280	0.000	1	108.8170	2.484	59	108.7203	3.136	89
474	856	976	0:SP3_SP2_SP3	C[5]	N[6]	O[5]	4:2:3:1:	4:3:3:	4:4:	C[5]-4:O[5]-2:N[6]-3:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[3,5]-4:C[5]-4:	C[5](C[5]C[3,5]HH)(O[5]C[3,5])(N[6]C[6]2)(H)	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O)	O[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]N[6]H)	C[5](C[5]C[3,5]HH)(O[5]C[3,5])(N[6]C[6]2)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O){1|C<3>,2|C<4>,4|H<1>}	O[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]N[6]H){2|C<3>,2|F<1>,3|H<1>}	109.1990	0.000	1	109.1990	0.000	1	109.1990	0.000	1	108.2435	1.826	2	108.8170	2.484	59	108.7203	3.136	89
474	856	976	0:SP3_SP2_SP3	C[5]	N[6]	O[5]	4:2:3:1:	4:3:3:	4:4:	C[5]-4:O[5]-2:N[6]-3:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(N[6]C[6]2)(H)	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]N[6]H)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(N[6]C[6]2)(H){1|C<3>,1|H<1>,1|N<2>,1|O<1>,1|O<2>,3|C<4>}	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O){1|C<3>,2|H<1>,3|C<4>}	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]N[6]H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	107.2880	0.000	1	107.2880	0.000	1	107.2880	0.000	1	108.2435	1.826	2	108.8170	2.484	59	108.7203	3.136	89
474	856	976	0:SP3_SP2_SP3	C[5]	N[6]	O[5]	4:2:3:1:	4:4:4:	3:4:	C[5]-4:O[5]-2:N[6]-3:H-1:	C[5]-4:C[6]-4:C[6]-4:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]CC)(O[5]C[5,6a])(N[6]C[6]2)(H)	N[6](C[5]C[5]O[5]H)(C[6]C[6]HH)2	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[6]H)	C[5](C[5]C[5,6a]CC)(O[5]C[5,6a])(N[6]C[6]2)(H){2|C<3>,2|C<4>,4|H<1>}	N[6](C[5]C[5]O[5]H)(C[6]C[6]HH)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[6]H){1|H<1>,2|C<3>,4|C<4>}	111.2020	0.000	1	111.2020	0.000	1	111.2020	0.000	1	111.2020	0.000	1	108.8170	2.484	59	108.7203	3.136	89
474	856	976	0:SP3_SP2_SP3	C[5]	N[6]	O[5]	4:3:2:1:	4:3:2:	4:4:	C[5]-4:N[6]-3:O[5]-2:H-1:	C[5]-4:C[6]-3:C[6]-2:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H)	N[6](C[5]C[5]O[5]H)(C[6]N[6]O)(C[6]C[6])	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH)	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|H<1>}	N[6](C[5]C[5]O[5]H)(C[6]N[6]O)(C[6]C[6]){1|C<3>,2|H<1>,3|C<4>}	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH){1|C<2>,1|C<3>,1|O<2>,3|H<1>}	108.6320	0.000	1	108.6320	0.000	1	108.6320	0.000	1	108.6320	0.000	1	108.8170	2.484	59	108.7203	3.136	89
474	856	976	0:SP3_SP2_SP3	C[5]	N[6]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5,5]-4:N[6]-3:O[5]-2:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[6]C[6]2)(O[5]C[5])(H)	N[6](C[5]C[5,5]O[5]H)(C[6]C[6]H)(C[6]N[6]O)	O[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]N[6]H)	C[5](C[5,5]C[5,5]O[5]H)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|N<2>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	N[6](C[5]C[5,5]O[5]H)(C[6]C[6]H)(C[6]N[6]O){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	O[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]N[6]H){1|N<3>,1|S<2>,2|C<3>,2|O<2>,3|H<1>}	111.0330	0.000	1	111.0330	0.000	1	111.0330	0.000	1	108.3043	1.122	43	108.8170	2.484	59	108.7203	3.136	89
474	856	976	0:SP3_SP2_SP3	C[5]	N[6]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5]-4:N[6]-3:O[5]-2:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[5]-4:C[5]-4:	C[5](C[5]C[5]FF)(N[6]C[6]2)(O[5]C[5])(H)	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O)	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH)	C[5](C[5]C[5]FF)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O){1|C<3>,2|C<4>,2|F<1>,2|H<1>}	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH){1|H<1>,1|O<2>,2|C<3>,2|F<1>}	109.2140	0.000	1	109.3905	0.062	2	108.2394	0.963	42	108.3043	1.122	43	108.8170	2.484	59	108.7203	3.136	89
474	856	976	0:SP3_SP2_SP3	C[5]	N[6]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5]-4:N[6]-3:O[5]-2:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[5]-4:C[5]-4:	C[5](C[5]C[5]FF)(N[6]C[6]2)(O[5]C[5])(H)	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O)	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH)	C[5](C[5]C[5]FF)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O){1|C<3>,2|C<4>,2|F<1>,2|H<1>}	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH){2|C<3>,2|C<4>,2|F<1>}	109.5670	0.000	1	109.3905	0.062	2	108.2394	0.963	42	108.3043	1.122	43	108.8170	2.484	59	108.7203	3.136	89
474	856	976	0:SP3_SP2_SP3	C[5]	N[6]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5]-4:N[6]-3:O[5]-2:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[5]-4:C[5]-4:	C[5](C[5]C[5]FH)(N[6]C[6]2)(O[5]C[5])(H)	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O)	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH)	C[5](C[5]C[5]FH)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|F<1>,1|N<2>,1|O<1>,3|H<1>}	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O){1|C<3>,1|F<1>,1|H<1>,3|C<4>}	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH){2|C<3>,2|F<1>,2|H<1>}	108.7230	0.000	1	108.7230	0.000	1	108.2394	0.963	42	108.3043	1.122	43	108.8170	2.484	59	108.7203	3.136	89
474	856	976	0:SP3_SP2_SP3	C[5]	N[6]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5]-4:N[6]-3:O[5]-2:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H)	N[6](C[5]C[5]O[5]H)(C[6]C[6]C)(C[6]C[6]H)	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH)	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	N[6](C[5]C[5]O[5]H)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	108.3020	0.000	1	108.3020	0.000	1	108.2394	0.963	42	108.3043	1.122	43	108.8170	2.484	59	108.7203	3.136	89
474	856	976	0:SP3_SP2_SP3	C[5]	N[6]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5]-4:N[6]-3:O[5]-2:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H)	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O)	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH)	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>,3|H<1>}	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O){1|C<3>,2|H<1>,3|C<4>}	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH){1|N<3>,2|C<3>,3|H<1>}	105.8360	0.000	1	107.5657	1.457	10	108.2394	0.963	42	108.3043	1.122	43	108.8170	2.484	59	108.7203	3.136	89
474	856	976	0:SP3_SP2_SP3	C[5]	N[6]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5]-4:N[6]-3:O[5]-2:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H)	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O)	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH)	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,3|H<1>}	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O){1|C<3>,1|F<1>,2|C<4>,2|H<1>}	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	106.6940	0.000	1	107.5657	1.457	10	108.2394	0.963	42	108.3043	1.122	43	108.8170	2.484	59	108.7203	3.136	89
474	856	976	0:SP3_SP2_SP3	C[5]	N[6]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5]-4:N[6]-3:O[5]-2:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H)	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O)	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH)	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,3|H<1>}	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O){1|C<3>,2|H<1>,3|C<4>}	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	105.7810	0.000	1	107.5657	1.457	10	108.2394	0.963	42	108.3043	1.122	43	108.8170	2.484	59	108.7203	3.136	89
474	856	976	0:SP3_SP2_SP3	C[5]	N[6]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5]-4:N[6]-3:O[5]-2:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H)	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O)	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH)	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,3|H<1>}	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O){2|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	108.3650	0.000	1	107.5657	1.457	10	108.2394	0.963	42	108.3043	1.122	43	108.8170	2.484	59	108.7203	3.136	89
474	856	976	0:SP3_SP2_SP3	C[5]	N[6]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5]-4:N[6]-3:O[5]-2:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H)	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O)	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH)	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O){1|B<4>,1|C<3>,2|C<4>,3|H<1>}	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	106.5640	0.000	1	107.5657	1.457	10	108.2394	0.963	42	108.3043	1.122	43	108.8170	2.484	59	108.7203	3.136	89
474	856	976	0:SP3_SP2_SP3	C[5]	N[6]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5]-4:N[6]-3:O[5]-2:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H)	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O)	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH)	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O){1|Os<8>,3|C<4>,3|H<1>}	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	108.0730	0.000	1	107.5657	1.457	10	108.2394	0.963	42	108.3043	1.122	43	108.8170	2.484	59	108.7203	3.136	89
474	856	976	0:SP3_SP2_SP3	C[5]	N[6]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5]-4:N[6]-3:O[5]-2:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H)	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O)	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH)	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O){1|C<3>,2|C<4>,4|H<1>}	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH){2|C<3>,4|H<1>}	108.5860	0.195	4	107.5657	1.457	10	108.2394	0.963	42	108.3043	1.122	43	108.8170	2.484	59	108.7203	3.136	89
474	856	976	0:SP3_SP2_SP3	C[5]	N[6]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5]-4:N[6]-3:O[5]-2:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(N[6]C[6]2)(O[5]C[5])(H)	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O)	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH)	C[5](C[5]C[5]HO)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	106.7040	0.000	1	106.7040	0.000	1	108.2394	0.963	42	108.3043	1.122	43	108.8170	2.484	59	108.7203	3.136	89
474	856	976	0:SP3_SP2_SP3	C[5]	N[6]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5]-4:N[6]-3:O[5]-2:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(N[6]C[6]2)(O[5]C[5])(H)	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)2	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH)	C[5](C[5]C[5]HO)(N[6]C[6]2)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	108.2840	0.031	2	108.2840	0.001	2	108.2394	0.963	42	108.3043	1.122	43	108.8170	2.484	59	108.7203	3.136	89
474	856	976	0:SP3_SP2_SP3	C[5]	N[6]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5]-4:N[6]-3:O[5]-2:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[5]-4:C[5]-4:	C[5](C[5]S[5]HH)(N[6]C[6]2)(O[5]C[5])(H)	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O)	O[5](C[5]C[5]N[6]H)(C[5]S[5]CH)	C[5](C[5]S[5]HH)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O){1|C<3>,1|C<4>,1|S<2>,4|H<1>}	O[5](C[5]C[5]N[6]H)(C[5]S[5]CH){2|C<3>,2|H<1>}	108.4527	0.801	25	108.4527	0.641	25	108.2394	0.963	42	108.3043	1.122	43	108.8170	2.484	59	108.7203	3.136	89
474	856	976	0:SP3_SP2_SP3	C[5]	N[6]	O[5]	4:3:2:1:	4:4:3:	4:4:	C[5,5]-4:N[6]-3:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[6]C[5,6]C[6])(O[5]C[5])(H)	N[6](C[5,6]C[5]C[6]O[5])(C[5]C[5,5]O[5]H)(C[6]N[6]O)	O[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]N[6]H)	C[5](C[5,5]C[5,5]O[5]H)(N[6]C[5,6]C[6])(O[5]C[5])(H){1|N<3>,1|O<1>,2|H<1>,2|O<2>,4|C<4>}	N[6](C[5,6]C[5]C[6]O[5])(C[5]C[5,5]O[5]H)(C[6]N[6]O){1|C<3>,3|C<4>,3|O<2>,5|H<1>}	O[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]N[6]H){1|C<3>,1|C<4>,3|H<1>,4|O<2>}	110.8520	0.000	1	110.8520	0.000	1	110.8520	0.000	1	109.7910	1.511	7	108.8170	2.484	59	108.7203	3.136	89
474	856	976	0:SP3_SP2_SP3	C[5]	N[6]	O[5]	4:3:2:1:	4:4:3:	4:4:	C[5,5]-4:N[6]-3:O[5]-2:H-1:	C[5]-4:C[6]-4:C[6]-3:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[6]C[6]2)(O[5]C[5])(H)	N[6](C[5]C[5,5]O[5]H)(C[6]C[6]HN)(C[6]N[6]O)	O[5](C[5]C[5,5]N[6]H)(C[5]C[5,5]CH)	C[5](C[5,5]C[5,5]O[5]H)(N[6]C[6]2)(O[5]C[5])(H){1|O<1>,1|O<2>,2|N<3>,3|C<4>,3|H<1>}	N[6](C[5]C[5,5]O[5]H)(C[6]C[6]HN)(C[6]N[6]O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O[5](C[5]C[5,5]N[6]H)(C[5]C[5,5]CH){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	111.3880	0.000	1	111.3880	0.000	1	110.4670	1.058	3	109.7910	1.511	7	108.8170	2.484	59	108.7203	3.136	89
474	856	976	0:SP3_SP2_SP3	C[5]	N[6]	O[5]	4:3:2:1:	4:4:3:	4:4:	C[5,5]-4:N[6]-3:O[5]-2:H-1:	C[5]-4:C[6]-4:C[6]-3:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[6]C[6]2)(O[5]C[5])(H)	N[6](C[5]C[5,5]O[5]H)(C[6]C[6]HS)(C[6]N[6]O)	O[5](C[5]C[5,5]N[6]H)(C[5]C[5,5]CH)	C[5](C[5,5]C[5,5]O[5]H)(N[6]C[6]2)(O[5]C[5])(H){1|N<3>,1|O<1>,1|O<2>,1|S<2>,3|C<4>,3|H<1>}	N[6](C[5]C[5,5]O[5]H)(C[6]C[6]HS)(C[6]N[6]O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O[5](C[5]C[5,5]N[6]H)(C[5]C[5,5]CH){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	110.0065	0.919	2	110.0065	0.844	2	110.4670	1.058	3	109.7910	1.511	7	108.8170	2.484	59	108.7203	3.136	89
474	856	976	0:SP3_SP2_SP3	C[5]	N[6]	O[5]	4:3:2:1:	4:4:3:	4:4:	C[5]-4:N[6]-3:O[5]-2:H-1:	C[6]-4:C[5]-4:C[6]-3:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H)	N[6](C[6]C[6a]C[6]H)(C[5]C[5]O[5]H)(C[6]N[6]O)	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH)	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	N[6](C[6]C[6a]C[6]H)(C[5]C[5]O[5]H)(C[6]N[6]O){1|O<2>,2|H<1>,3|C<3>,4|C<4>}	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	107.8430	0.000	1	108.7613	0.635	3	108.7613	0.635	3	109.7910	1.511	7	108.8170	2.484	59	108.7203	3.136	89
474	856	976	0:SP3_SP2_SP3	C[5]	N[6]	O[5]	4:3:2:1:	4:4:3:	4:4:	C[5]-4:N[6]-3:O[5]-2:H-1:	C[6]-4:C[5]-4:C[6]-3:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H)	N[6](C[6]C[6a]C[6]H)(C[5]C[5]O[5]H)(C[6]N[6]O)	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH)	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	N[6](C[6]C[6a]C[6]H)(C[5]C[5]O[5]H)(C[6]N[6]O){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	109.2205	0.074	2	108.7613	0.635	3	108.7613	0.635	3	109.7910	1.511	7	108.8170	2.484	59	108.7203	3.136	89
474	856	976	0:SP3_SP3_SP3	C[5,5,3x6]	N[6]	O[5,5]	4:3:2:3:	4:4:1:	4:4:	C[5,6,6]-4:N[5,3x6]-3:O[5,5]-2:N[6]-3:	C[5,5,3x6]-4:C[6]-4:H-1:	C[5,5,3x6]-4:C[5,5,6]-4:	C[5,5,3x6](C[5,6,6]C[6,6a]C[5,6]H)(N[5,3x6]C[5,6]C[6,6])(O[5,5]C[5,5,6])(N[6]C[6]H)	N[6](C[5,5,3x6]C[5,6,6]N[5,3x6]O[5,5])(C[6]C[6]CH)(H)	O[5,5](C[5,5,3x6]C[5,6,6]N[5,3x6]N[6])(C[5,5,6]C[5,6]2C)	C[5,5,3x6](C[5,6,6]C[6,6a]C[5,6]H)(N[5,3x6]C[5,6]C[6,6])(O[5,5]C[5,5,6])(N[6]C[6]H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	N[6](C[5,5,3x6]C[5,6,6]N[5,3x6]O[5,5])(C[6]C[6]CH)(H){2|H<1>,3|C<3>,3|C<4>}	O[5,5](C[5,5,3x6]C[5,6,6]N[5,3x6]N[6])(C[5,5,6]C[5,6]2C){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	111.8710	0.000	1	111.8710	0.000	1	111.8710	0.000	1	111.8710	0.000	1	111.8710	0.000	1	110.2712	5.830	22
474	856	976	0:SP3_SP3_SP3	C[5,5,6]	N[6]	O[5,5]	4:2:3:3:	4:4:4:	4:4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:N[6]-3:	C[5,5,6]-4:C[6]-4:C[6]-4:	C[5,5,6,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6,6]CH)(O[5,5]C[5,5,6,6])(C[5,6]N[5,6]C)(N[6]C[6]2)	N[6](C[5,5,6]C[5,6]2O[5,5])(C[6]C[6]HH)2	O[5,5](C[5,5,6,6]C[5,6,6]N[5,6]C[6])(C[5,5,6]C[5,6]2N[6])	C[5,5,6](C[5,6]C[5,6,6]CH)(O[5,5]C[5,5,6,6])(C[5,6]N[5,6]C)(N[6]C[6]2){1|C<3>,3|C<4>,5|H<1>}	N[6](C[5,5,6]C[5,6]2O[5,5])(C[6]C[6]HH)2{1|C<3>,1|N<2>,1|O<2>,3|C<4>,5|H<1>}	O[5,5](C[5,5,6,6]C[5,6,6]N[5,6]C[6])(C[5,5,6]C[5,6]2N[6]){1|N<3>,2|C<3>,3|H<1>,4|C<4>}	114.9180	0.000	1	114.9180	0.000	1	114.9180	0.000	1	114.9180	0.000	1	114.9180	0.000	1	110.2712	5.830	22
474	856	976	0:SP3_SP3_SP3	C[5,6,6]	N[6,6]	O[5,6]	3:4:2:2:	4:3:4:	4:4:	N[6,6]-3:C[6,6]-4:O[5,6]-2:O[5]-2:	C[5,6,6]-4:C[6,6]-3:C[6]-4:	C[5,6,6]-4:C[5,6]-4:	C[5,6,6](N[6,6]C[6,6]C[6])(C[6,6]C[6]O[6]C)(O[5,6]C[5,6])(O[5]C[5])	N[6,6](C[5,6,6]C[6,6]O[5,6]O[5])(C[6,6]C[6]N[6])(C[6]C[6]CH)	O[5,6](C[5,6,6]C[6,6]N[6,6]O[5])(C[5,6]C[5]C[6]H)	C[5,6,6](N[6,6]C[6,6]C[6])(C[6,6]C[6]O[6]C)(O[5,6]C[5,6])(O[5]C[5]){1|N<2>,1|O<2>,2|C<3>,2|H<1>,4|C<4>}	N[6,6](C[5,6,6]C[6,6]O[5,6]O[5])(C[6,6]C[6]N[6])(C[6]C[6]CH){1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	O[5,6](C[5,6,6]C[6,6]N[6,6]O[5])(C[5,6]C[5]C[6]H){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	111.7910	0.000	1	111.7910	0.000	1	111.7910	0.000	1	111.7910	0.000	1	111.7910	0.000	1	110.2712	5.830	22
474	856	976	0:SP3_SP3_SP3	C[5,6,6]	N[6,6]	O[5]	3:4:2:2:	4:3:4:	4:4:	N[6,6]-3:C[6,6]-4:O[5,6]-2:O[5]-2:	C[5,6,6]-4:C[6,6]-3:C[6]-4:	C[5,6,6]-4:C[5]-4:	C[5,6,6](N[6,6]C[6,6]C[6])(C[6,6]C[6]O[6]C)(O[5,6]C[5,6])(O[5]C[5])	N[6,6](C[5,6,6]C[6,6]O[5,6]O[5])(C[6,6]C[6]N[6])(C[6]C[6]CH)	O[5](C[5,6,6]C[6,6]N[6,6]O[5,6])(C[5]C[5,6]CC)	C[5,6,6](N[6,6]C[6,6]C[6])(C[6,6]C[6]O[6]C)(O[5,6]C[5,6])(O[5]C[5]){1|N<2>,1|O<2>,2|C<3>,2|H<1>,4|C<4>}	N[6,6](C[5,6,6]C[6,6]O[5,6]O[5])(C[6,6]C[6]N[6])(C[6]C[6]CH){1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	O[5](C[5,6,6]C[6,6]N[6,6]O[5,6])(C[5]C[5,6]CC){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	110.7370	0.000	1	110.7370	0.000	1	110.7370	0.000	1	110.7370	0.000	1	107.8902	4.396	4	110.2712	5.830	22
474	856	976	0:SP3_SP3_SP3	C[5,6,6]	N[6,6]	O[5]	4:3:4:2:	4:4:1:	4:4:	C[5,6]-4:N[6,6]-3:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[5,6]C[5]C[6]H)(N[6,6]C[6,6]H)(C[6]C[6]CH)(O[5]C[5])	N[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6]C[6]2H)(H)	O[5](C[5,6,6]C[5,6]N[6,6]C[6])(C[5]C[5]HO)	C[5,6,6](C[5,6]C[5]C[6]H)(N[6,6]C[6,6]H)(C[6]C[6]CH)(O[5]C[5]){1|O<2>,2|C<4>,8|H<1>}	N[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6]C[6]2H)(H){5|C<4>,6|H<1>}	O[5](C[5,6,6]C[5,6]N[6,6]C[6])(C[5]C[5]HO){4|C<4>,5|H<1>}	106.9413	1.092	3	106.9413	1.192	3	106.9413	1.192	3	106.9413	1.192	3	107.8902	4.396	4	110.2712	5.830	22
474	856	976	0:SP3_SP3_SP3	C[5,6,6]	N[6]	O[5,6]	4:2:3:1:	4:4:4:	4:4:	C[5,5,6,6]-4:O[5,6]-2:N[6]-3:H-1:	C[5,6,6]-4:C[6]-4:S-4:	C[5,6,6]-4:C[5,5,6]-4:	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(O[5,6]C[5,5,6])(N[6]C[6]S)(H)	N[6](C[5,6,6]C[5,5,6,6]O[5,6]H)(C[6]C[6]HH)(SC[6a]OO)	O[5,6](C[5,6,6]C[5,5,6,6]N[6]H)(C[5,5,6]C[5,5]C[5,6]H)	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(O[5,6]C[5,5,6])(N[6]C[6]S)(H){2|C<4>,6|H<1>}	N[6](C[5,6,6]C[5,5,6,6]O[5,6]H)(C[6]C[6]HH)(SC[6a]OO){3|C<4>,3|H<1>}	O[5,6](C[5,6,6]C[5,5,6,6]N[6]H)(C[5,5,6]C[5,5]C[5,6]H){1|S<4>,2|C<4>,5|H<1>}	111.7540	0.000	1	111.7540	0.000	1	111.7540	0.000	1	111.7540	0.000	1	111.7540	0.000	1	110.2712	5.830	22
474	856	976	0:SP3_SP3_SP3	C[5,6,6]	N[6]	O[5]	3:3:4:2:	4:3:3:	4:4:	N[5,6]-3:N[6]-3:C[6,6]-4:O[5]-2:	C[5,6,6]-4:C[6a]-3:C[6]-3:	C[5,6,6]-4:C[5]-4:	C[5,6,6](N[5,6]C[5]C[6])(N[6]C[6a]C[6])(C[6,6]C[6]2C)(O[5]C[5])	N[6](C[5,6,6]C[6,6]N[5,6]O[5])(C[6a]C[6a]2)(C[6]C[6]O)	O[5](C[5,6,6]C[6,6]N[5,6]N[6])(C[5]C[5]CH)	C[5,6,6](N[5,6]C[5]C[6])(N[6]C[6a]C[6])(C[6,6]C[6]2C)(O[5]C[5]){2|C<4>,2|O<1>,3|C<3>,7|H<1>}	N[6](C[5,6,6]C[6,6]N[5,6]O[5])(C[6a]C[6a]2)(C[6]C[6]O){3|H<1>,4|C<3>,5|C<4>}	O[5](C[5,6,6]C[6,6]N[5,6]N[6])(C[5]C[5]CH){1|O<1>,2|C<3>,4|C<4>}	108.8010	0.000	1	108.8010	0.000	1	108.8010	0.000	1	108.8010	0.000	1	108.8010	0.000	1	110.2712	5.830	22
474	856	976	0:SP3_SP3_SP3	C[5,6]	N[6,6]	O[5]	3:4:2:4:	4:4:4:	4:4:	N[6,6]-3:C[5,6]-4:O[5]-2:C-4:	C[6,6]-4:C[5,6]-4:C[6]-4:	C[5,6]-4:C[5]-4:	C[5,6](N[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(CH3)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)	O[5](C[5,6]C[5,6]N[6,6]C)(C[5]C[5]HH)	C[5,6](N[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(CH3){2|C<3>,2|C<4>,8|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[5,6]C[5,6]O[5]C)(C[6]C[6]HH){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	O[5](C[5,6]C[5,6]N[6,6]C)(C[5]C[5]HH){1|C<3>,2|H<1>,3|C<4>}	107.8950	0.304	2	107.8950	0.092	2	107.8950	0.092	2	107.8950	0.092	2	107.8950	0.092	2	110.2712	5.830	22
474	856	976	0:SP3_SP3_SP3	C[5,6]	N[6]	O[5]	3:3:3:2:	4:3:3:	4:4:	N[6]-3:C[6]-3:C[5]-3:O[5]-2:	C[5,6]-4:C[6]-3:C[6a]-3:	C[5,6]-4:C[5]-4:	C[5,6](N[6]C[6a]C[6])(C[6]N[5,6]O)(C[5]C[5]H)(O[5]C[5])	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[5,6]O)(C[6a]C[6a]2)	O[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]CH)	C[5,6](N[6]C[6a]C[6])(C[6]N[5,6]O)(C[5]C[5]H)(O[5]C[5]){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[5,6]O)(C[6a]C[6a]2){1|N<3>,1|O<1>,3|C<3>,3|C<4>,3|H<1>}	O[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]CH){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	107.9530	0.232	2	107.9530	0.054	2	107.9530	0.054	2	107.9530	0.054	2	110.8619	4.052	11	110.2712	5.830	22
474	856	976	0:SP3_SP3_SP3	C[5,6]	N[6]	O[5]	4:3:2:1:	4:3:2:	4:4:	C[5,6]-4:N[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6a]-3:O[6]-2:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6a]O[6])(O[5]C[5])(H)	N[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(O[6]C[6])	O[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6a]O[6])(O[5]C[5])(H){1|C<4>,2|C<3>,6|H<1>}	N[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(O[6]C[6]){3|C<4>,3|H<1>,4|C<3>}	O[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	112.6695	0.292	2	112.6695	0.085	2	112.6695	0.085	2	112.6695	0.085	2	110.8619	4.052	11	110.2712	5.830	22
474	856	976	0:SP3_SP3_SP3	C[5,6]	N[6]	O[5]	4:3:2:1:	4:4:3:	4:4:	C[5,6]-4:N[6]-3:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:N-3:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]N[6]O[5]H)(N[6]C[5,6]N)(O[5]C[5])(H)	N[6](C[5,6]C[5,6]O[5]H)2(NOO)	O[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]O[5]H)	C[5,6](C[5,6]N[6]O[5]H)(N[6]C[5,6]N)(O[5]C[5])(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	N[6](C[5,6]C[5,6]O[5]H)2(NOO){1|N<3>,2|C<4>,2|H<1>,2|O<2>}	O[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]O[5]H){1|C<4>,2|H<1>,2|N<3>,2|O<2>}	112.1885	0.590	4	112.1885	0.348	4	112.1885	0.348	4	112.1885	0.348	4	110.8619	4.052	11	110.2712	5.830	22
474	856	976	0:SP3_SP3_SP3	C[5,6]	N[6]	O[5]	4:3:2:2:	4:4:4:	4:4:	C[6]-4:N[6]-3:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6]CS)(N[6]C[6]C)(O[5]C[5])2	N[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(CCHH)	O[5](C[5,6]C[6]N[6]O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6]CS)(N[6]C[6]C)(O[5]C[5])2{1|C<4>,8|H<1>}	N[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(CCHH){1|S<2>,2|H<1>,4|C<4>}	O[5](C[5,6]C[6]N[6]O[5])(C[5]C[5]HH){1|S<2>,2|H<1>,4|C<4>}	108.8800	0.494	2	108.8800	0.244	2	108.8800	0.244	2	108.8800	0.244	2	110.8619	4.052	11	110.2712	5.830	22
474	856	976	0:SP3_SP3_SP3	C[5,6]	N[6]	O[5]	4:4:2:3:	4:4:1:	4:4:	C[5]-4:C[6]-4:O[5]-2:N[6]-3:	C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,5]-4:	C[5,6](C[5]C[5,5]CH)(C[6]C[6]HH)(O[5]C[5,5])(N[6]C[6]H)	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)	O[5](C[5,6]C[5]C[6]N[6])(C[5,5]C[5,5]C[5]H)	C[5,6](C[5]C[5,5]CH)(C[6]C[6]HH)(O[5]C[5,5])(N[6]C[6]H){3|C<4>,6|H<1>}	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H){4|H<1>,5|C<4>}	O[5](C[5,6]C[5]C[6]N[6])(C[5,5]C[5,5]C[5]H){5|C<4>,7|H<1>}	111.7220	0.000	1	111.7220	0.000	1	111.7220	0.000	1	111.7220	0.000	1	110.8619	4.052	11	110.2712	5.830	22
474	856	976	6:SP3_SP3_SP3	C[5,6]	N[6]	O[5,6]	2:4:3:4:	4:3:2:	4:4:	O[5,6]-2:C[5]-4:N[6]-3:C-4:	C[5,6]-4:C[6]-3:O-2:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]C[5]HO)(N[6]C[6]O)(CCHH)	N[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]O)(OC)	O[5,6](C[5,6]C[5]C[6]O)(C[5,6]C[5]N[6]C)	C[5,6](O[5,6]C[5,6])(C[5]C[5]HO)(N[6]C[6]O)(CCHH){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]O)(OC){1|H<1>,1|O<2>,4|C<4>}	O[5,6](C[5,6]C[5]C[6]O)(C[5,6]C[5]N[6]C){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	105.3820	0.000	1	105.3820	0.000	1	105.3820	0.000	1	105.3820	0.000	1	105.4720	0.016	2	105.4720	0.016	2
474	856	976	6:SP3_SP3_SP3	C[5,6]	N[6]	O[5,6]	4:2:3:4:	4:3:2:	4:4:	C[3,5]-4:O[5,6]-2:N[6]-3:C-4:	C[5,6]-4:C[6]-3:O-2:	C[5,6]-4:C[5,6]-4:	C[5,6](C[3,5]C[3,5]O[3]H)(O[5,6]C[5,6])(N[6]C[6]O)(CCHH)	N[6](C[5,6]C[3,5]O[5,6]C)(C[6]C[6]O)(OC)	O[5,6](C[5,6]C[3,5]C[6]O)(C[5,6]C[3,5]N[6]C)	C[5,6](C[3,5]C[3,5]O[3]H)(O[5,6]C[5,6])(N[6]C[6]O)(CCHH){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	N[6](C[5,6]C[3,5]O[5,6]C)(C[6]C[6]O)(OC){1|H<1>,1|O<2>,4|C<4>}	O[5,6](C[5,6]C[3,5]C[6]O)(C[5,6]C[3,5]N[6]C){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	105.5620	0.000	1	105.5620	0.000	1	105.5620	0.000	1	105.5620	0.000	1	105.4720	0.016	2	105.4720	0.016	2
474	856	999	6:SP3_SP3_SP3	C[5,3x6]	N[6,6]	N[5,6,6]	4:4:3:1:	4:4:4:	4:4:4:4:	N[5,6,6]-4:N[5,6,6]-4:N[6,6]-3:H-1:	C[5,3x6]-4:C[6]-4:C[6]-4:	C[5,3x6]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,3x6](N[5,6,6]C[5]C[6]2)2(N[6,6]C[6]2)(H)	N[6,6](C[5,3x6]N[5,6,6]2H)(C[6]C[6]HH)2	N[5,6,6](C[5,3x6]N[5,6,6]N[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)2	C[5,3x6](N[5,6,6]C[5]C[6]2)2(N[6,6]C[6]2)(H){16|H<1>,3|C<4>}	N[6,6](C[5,3x6]N[5,6,6]2H)(C[6]C[6]HH)2{4|H<1>,6|C<4>}	N[5,6,6](C[5,3x6]N[5,6,6]N[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)2{4|C<4>,6|H<1>}	109.8243	0.269	4	109.8243	0.073	4	109.8243	0.073	4	109.8243	0.073	4	109.8243	0.073	4	109.8243	0.073	4
474	861	951	0:SP3_SP-NON_SP3	C[5]	Se	H	4:4:4:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:Se-4:H-1:	C[6a]-3:C[5]-4:O-1:O-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]HO)(SeC[6a]OO)(H)	Se(C[6a]C[6a]2)(C[5]C[5]2H)(O)2	H(C[5]C[5]2Se)	C[5](C[5]C[5]HO)(C[5]O[5]HO)(SeC[6a]OO)(H){1|C<4>,1|H<1>}	Se(C[6a]C[6a]2)(C[5]C[5]2H)(O)2	H(C[5]C[5]2Se)	109.7230	0.000	1	109.7230	0.000	1	109.7230	0.000	1	109.7230	0.000	1	108.7227	0.754	3	108.7227	0.754	3
474	861	951	0:SP3_SP-NON_SP3	C[5]	Se	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:Se-4:H-1:	C[5]-4:C[5]-4:Br-1:Br-1:	C[5]-4:	C[5](C[5]C[5]BrH)(C[5]C[5]HH)(SeC[5]Br2)(H)	Se(C[5]C[5]2H)2(Br)2	H(C[5]C[5]2Se)	C[5](C[5]C[5]BrH)(C[5]C[5]HH)(SeC[5]Br2)(H){4|H<1>}	Se(C[5]C[5]2H)2(Br)2	H(C[5]C[5]2Se)	108.2830	0.000	1	108.2830	0.000	1	108.2830	0.000	1	108.2225	0.007	2	108.7227	0.754	3	108.7227	0.754	3
474	861	951	0:SP3_SP-NON_SP3	C[5]	Se	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:Se-4:H-1:	C[5]-4:C[5]-4:Cl-1:Cl-1:	C[5]-4:	C[5](C[5]C[5]ClH)(C[5]C[5]HH)(SeC[5]Cl2)(H)	Se(C[5]C[5]2H)2(Cl)2	H(C[5]C[5]2Se)	C[5](C[5]C[5]ClH)(C[5]C[5]HH)(SeC[5]Cl2)(H){4|H<1>}	Se(C[5]C[5]2H)2(Cl)2	H(C[5]C[5]2Se)	108.1620	0.000	1	108.1620	0.000	1	108.1620	0.000	1	108.2225	0.007	2	108.7227	0.754	3	108.7227	0.754	3
474	863	930	0:SP3_SP2_SP2	C[5]	O	C	3:4:3:1:	4:	4:2:1:	C[5,6a]-3:C[5]-4:C-3:O-1:	C[5]-4:	C[5]-4:O-2:O-1:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]OO)(COO)(O)	O(C[5]C[5,6a]C[5]C)	C(C[5]C[5,6a]C[5]O)(OC)(O)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]OO)(COO)(O){1|O<1>,3|C<3>}	O(C[5]C[5,6a]C[5]C)	C(C[5]C[5,6a]C[5]O)(OC)(O)	111.2040	0.000	1	111.2040	0.000	1	111.2040	0.000	1	111.2040	0.000	1	110.5247	10.298	4	110.5247	10.298	4
474	863	930	0:SP3_SP2_SP2	C[5]	O	C	4:3:3:1:	4:	4:3:1:	C[5]-4:N[5]-3:C-3:O-1:	C[5]-4:	C[5]-4:C-3:H-1:	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCH)(O)	O(C[5]C[5]N[5]C)	C(C[5]C[5]N[5]O)(CHH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCH)(O){1|O<1>,2|H<1>}	O(C[5]C[5]N[5]C)	C(C[5]C[5]N[5]O)(CHH)(H)	107.5830	0.000	1	107.5830	0.000	1	107.5830	0.000	1	107.5830	0.000	1	110.5247	10.298	4	110.5247	10.298	4
474	863	930	0:SP3_SP2_SP2	C[5]	O	C	4:4:3:1:	4:	4:3:1:	C[5,5]-4:C[5]-4:C-3:O-1:	C[5]-4:	C[5]-4:C-3:H-1:	C[5](C[5,5]C[5,5,6]N[5]H)(C[5]C[5,6]HO)(CCH)(O)	O(C[5]C[5,5]C[5]C)	C(C[5]C[5,5]C[5]O)(CCH)(H)	C[5](C[5,5]C[5,5,6]N[5]H)(C[5]C[5,6]HO)(CCH)(O){2|C<3>,3|C<4>}	O(C[5]C[5,5]C[5]C)	C(C[5]C[5,5]C[5]O)(CCH)(H)	114.7560	0.000	1	114.7560	0.000	1	114.7560	0.000	1	114.7560	0.000	1	110.5247	10.298	4	110.5247	10.298	4
474	863	930	0:SP3_SP2_SP2	C[5]	O	C	4:4:3:1:	4:	4:4:1:	C[5,6]-4:C[5]-4:C-3:O-1:	C[5]-4:	C[5]-4:C-4:O-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO)(O)	O(C[5]C[5,6]C[5]C)	C(C[5]C[5,6]C[5]O)(CClHH)(O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO)(O){2|C<4>,5|H<1>}	O(C[5]C[5,6]C[5]C)	C(C[5]C[5,6]C[5]O)(CClHH)(O)	108.5560	0.000	1	108.5560	0.000	1	108.5560	0.000	1	108.5560	0.000	1	110.5247	10.298	4	110.5247	10.298	4
474	863	951	0:SP3_SP-NON_SP2	C[5,6]	O	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:O-1:	C[5,6]-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)(O)	O(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)(O){3|C<4>,3|H<1>}	O(C[5,6]C[5,5,6]C[5,6]H)	H(C[5,6]C[5,5,6]C[5,6]O)	109.7665	0.112	2	109.7665	0.013	2	109.7665	0.013	2	109.7665	0.013	2	109.7665	0.013	2	109.0454	21.460	40
474	863	951	0:SP3_SP-NON_SP2	C[5]	O	H	3:4:1:1:	4:	4:	C[5,6]-3:C[5]-4:H-1:O-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6])(C[5]C[5,5]CO)(H)(O)	O(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,5,6]C[6])(C[5]C[5,5]CO)(H)(O){1|N<3>,2|H<1>,3|C<4>}	O(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]O)	110.1840	0.000	1	110.1840	0.000	1	110.1840	0.000	1	111.3402	0.619	4	109.0075	22.590	38	109.0454	21.460	40
474	863	951	0:SP3_SP-NON_SP2	C[5]	O	H	3:4:1:1:	4:	4:	C[5,6a]-3:C[5]-4:H-1:O-1:	C[5]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(H)(O)	O(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(H)(O){1|C<4>,2|C<3>,2|H<1>}	O(C[5]C[5,6a]C[5]H)	H(C[5]C[5,6a]C[5]O)	111.7257	0.192	3	111.7257	0.037	3	111.7257	0.037	3	111.3402	0.619	4	109.0075	22.590	38	109.0454	21.460	40
474	863	951	0:SP3_SP-NON_SP2	C[5]	O	H	4:3:1:1:	4:	4:	C[5]-4:N[5]-3:H-1:O-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)(O)	O(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]O)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)(O){2|C<3>,2|H<1>}	O(C[5]C[5]N[5]H)	H(C[5]C[5]N[5]O)	111.2500	0.000	1	111.2500	0.000	1	111.2500	0.000	1	111.2500	0.000	1	109.0075	22.590	38	109.0454	21.460	40
474	863	951	0:SP3_SP-NON_SP2	C[5]	O	H	4:4:1:1:	4:	4:	C[5,5]-4:C[5]-4:H-1:O-1:	C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(H)(O)	O(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(H)(O){2|C<4>,2|H<1>,2|O<2>}	O(C[5]C[5,5]C[5]H)	H(C[5]C[5,5]C[5]O)	110.3017	0.793	4	110.3017	0.629	4	110.3017	0.629	4	108.6568	25.097	33	109.0075	22.590	38	109.0454	21.460	40
474	863	951	0:SP3_SP-NON_SP2	C[5]	O	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:O-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[6a]N[5]H)(H)(O)	O(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[6a]N[5]H)(H)(O){1|H<1>,2|C<3>,3|C<4>}	O(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]O)	111.1090	0.000	1	111.1090	0.000	1	109.7938	1.400	5	108.6568	25.097	33	109.0075	22.590	38	109.0454	21.460	40
474	863	951	0:SP3_SP-NON_SP2	C[5]	O	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5]-4:H-1:O-1:	C[5]-4:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(H)(O)	O(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]O)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(H)(O){3|C<4>,3|H<1>}	O(C[5]C[5,6]C[5]H)	H(C[5]C[5,6]C[5]O)	109.4650	1.070	4	109.4650	1.146	4	109.7938	1.400	5	108.6568	25.097	33	109.0075	22.590	38	109.0454	21.460	40
474	863	951	0:SP3_SP-NON_SP2	C[5]	O	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:O-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)(O)	O(C[5]C[5]2H)	H(C[5]C[5]2O)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)(O){2|C<3>,2|H<1>}	O(C[5]C[5]2H)	H(C[5]C[5]2O)	111.4200	0.000	1	111.4200	0.000	1	108.1457	33.568	24	108.6568	25.097	33	109.0075	22.590	38	109.0454	21.460	40
474	863	951	0:SP3_SP-NON_SP2	C[5]	O	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:O-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5,6]HO)(C[5]N[5,6]CH)(H)(O)	O(C[5]C[5]2H)	H(C[5]C[5]2O)	C[5](C[5]C[5,6]HO)(C[5]N[5,6]CH)(H)(O){1|H<1>,2|C<4>}	O(C[5]C[5]2H)	H(C[5]C[5]2O)	111.3702	0.409	4	111.3702	0.167	4	108.1457	33.568	24	108.6568	25.097	33	109.0075	22.590	38	109.0454	21.460	40
474	863	951	0:SP3_SP-NON_SP2	C[5]	O	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:O-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)(O)	O(C[5]C[5]2H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)(O){1|S<4>,2|H<1>}	O(C[5]C[5]2H)	H(C[5]C[5]2O)	111.5660	0.000	1	111.5660	0.000	1	108.1457	33.568	24	108.6568	25.097	33	109.0075	22.590	38	109.0454	21.460	40
474	863	951	0:SP3_SP-NON_SP2	C[5]	O	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:O-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]CH)(H)(O)	O(C[5]C[5]2H)	H(C[5]C[5]2O)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(H)(O){1|O<1>}	O(C[5]C[5]2H)	H(C[5]C[5]2O)	111.4390	0.000	1	111.4390	0.000	1	108.1457	33.568	24	108.6568	25.097	33	109.0075	22.590	38	109.0454	21.460	40
474	863	951	0:SP3_SP-NON_SP2	C[5]	O	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:O-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]FH)(C[5]O[5]CH)(H)(O)	O(C[5]C[5]2H)	H(C[5]C[5]2O)	C[5](C[5]C[5]FH)(C[5]O[5]CH)(H)(O){1|H<1>,1|N<3>}	O(C[5]C[5]2H)	H(C[5]C[5]2O)	109.0230	0.000	1	109.0230	0.000	1	108.1457	33.568	24	108.6568	25.097	33	109.0075	22.590	38	109.0454	21.460	40
474	863	951	0:SP3_SP-NON_SP2	C[5]	O	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:O-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)(O)	O(C[5]C[5]2H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)(O){1|H<1>,1|N<3>}	O(C[5]C[5]2H)	H(C[5]C[5]2O)	110.2480	4.330	6	110.2480	18.746	6	108.1457	33.568	24	108.6568	25.097	33	109.0075	22.590	38	109.0454	21.460	40
474	863	951	0:SP3_SP-NON_SP2	C[5]	O	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:O-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)(O)	O(C[5]C[5]2H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)(O){1|C<3>,1|N<2>}	O(C[5]C[5]2H)	H(C[5]C[5]2O)	100.2980	0.614	2	104.8690	32.045	4	108.1457	33.568	24	108.6568	25.097	33	109.0075	22.590	38	109.0454	21.460	40
474	863	951	0:SP3_SP-NON_SP2	C[5]	O	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:O-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)(O)	O(C[5]C[5]2H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)(O){1|H<1>,1|N<3>}	O(C[5]C[5]2H)	H(C[5]C[5]2O)	109.4400	3.490	2	104.8690	32.045	4	108.1457	33.568	24	108.6568	25.097	33	109.0075	22.590	38	109.0454	21.460	40
474	863	951	0:SP3_SP-NON_SP2	C[5]	O	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:O-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CN)(H)(O)	O(C[5]C[5]2H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]CN)(H)(O){1|C<4>,1|H<1>}	O(C[5]C[5]2H)	H(C[5]C[5]2O)	94.1922	4.988	2	94.1922	24.879	2	108.1457	33.568	24	108.6568	25.097	33	109.0075	22.590	38	109.0454	21.460	40
474	863	951	0:SP3_SP-NON_SP2	C[5]	O	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:O-1:	C[5]-4:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]HO)(H)(O)	O(C[5]C[5]2H)	H(C[5]C[5]2O)	C[5](C[5]C[5]HO)(C[5]O[5]HO)(H)(O){1|C<3>,1|C<4>}	O(C[5]C[5]2H)	H(C[5]C[5]2O)	112.1550	0.000	1	112.1550	0.000	1	108.1457	33.568	24	108.6568	25.097	33	109.0075	22.590	38	109.0454	21.460	40
474	863	951	0:SP3_SP-NON_SP2	C[5]	O	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:O-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[5]O[5]H)(C[5]C[5]HO)(H)(O)	O(C[5]C[5]2H)	H(C[5]C[5]2O)	C[5](C[5]N[5]O[5]H)(C[5]C[5]HO)(H)(O){1|C<4>,1|H<1>,2|C<3>}	O(C[5]C[5]2H)	H(C[5]C[5]2O)	107.9040	0.000	1	107.9040	0.000	1	108.1457	33.568	24	108.6568	25.097	33	109.0075	22.590	38	109.0454	21.460	40
474	863	951	0:SP3_SP-NON_SP2	C[5]	O	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:O-1:	C[5]-4:	C[5]-4:	C[5](C[5]N[6a]Se[5]H)(C[5]C[5]HO)(H)(O)	O(C[5]C[5]2H)	H(C[5]C[5]2O)	C[5](C[5]N[6a]Se[5]H)(C[5]C[5]HO)(H)(O){1|C<4>,1|H<1>,2|C<3>}	O(C[5]C[5]2H)	H(C[5]C[5]2O)	106.8740	0.000	1	106.8740	0.000	1	108.1457	33.568	24	108.6568	25.097	33	109.0075	22.590	38	109.0454	21.460	40
474	863	951	0:SP3_SP-NON_SP2	C[5]	O	H	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:H-1:O-1:	C[5]-4:	C[5]-4:	C[5](C[5]Se[5]HH)(C[5]C[5]HO)(H)(O)	O(C[5]C[5]2H)	H(C[5]C[5]2O)	C[5](C[5]Se[5]HH)(C[5]C[5]HO)(H)(O){1|C<4>,1|H<1>}	O(C[5]C[5]2H)	H(C[5]C[5]2O)	110.2870	0.000	1	110.2870	0.000	1	108.1457	33.568	24	108.6568	25.097	33	109.0075	22.590	38	109.0454	21.460	40
474	863	976	0:SP3_SP2_SP2	C[5]	O	O[5]	3:2:4:1:	4:	4:3:	C[5,6a]-3:O[5]-2:C-4:O-1:	C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6,6a])(O[5]C[5])(CH3)(O)	O(C[5]C[5,6a]O[5]C)	O[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6,6a])(O[5]C[5])(CH3)(O){1|O<1>,1|O<2>,2|C<3>}	O(C[5]C[5,6a]O[5]C)	O[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O){2|C<3>}	108.1930	0.000	1	108.1930	0.000	1	108.1930	0.000	1	108.1930	0.000	1	108.1930	0.000	1	108.1930	0.000	1
474	863	976	0:SP3_SP2_SP3	C[5,6]	O	O[5]	4:4:2:1:	4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:O-1:	C[5,6]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(O)	O(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]C[6a]2)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(O){1|C<4>,2|C<3>,3|H<1>}	O(C[5,6]C[5,6]C[6]O[5])	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]C[6a]2){2|C<4>,4|C<3>,5|H<1>}	108.4680	0.000	1	108.4680	0.000	1	108.4680	0.000	1	108.4680	0.000	1	108.4680	0.000	1	109.6215	2.661	2
474	863	976	0:SP3_SP2_SP3	C[5]	O	O[5]	4:2:4:1:	4:	4:4:	C[5]-4:O[5]-2:C-4:O-1:	C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,5,6]HO)(O[5]C[5,6])(CH3)(O)	O(C[5]C[5]O[5]C)	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]CO)	C[5](C[5]C[5,5,6]HO)(O[5]C[5,6])(CH3)(O){1|C<3>,1|H<1>,2|C<4>}	O(C[5]C[5]O[5]C)	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]CO){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	110.7750	0.000	1	110.7750	0.000	1	110.7750	0.000	1	110.7750	0.000	1	110.7750	0.000	1	109.6215	2.661	2
474	863	983	0:SP3_SP1_SP2	C[5,6]	O	C	4:4:2:1:	4:	4:1:	C[5,5,6]-4:C[5,6]-4:C-2:O-1:	C[5,6]-4:	C[5,6]-4:N-1:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(CN)(O)	O(C[5,6]C[5,5,6]C[5,6]C)	C(C[5,6]C[5,5,6]C[5,6]O)(N)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(CN)(O){1|C<3>,2|H<1>}	O(C[5,6]C[5,5,6]C[5,6]C)	C(C[5,6]C[5,5,6]C[5,6]O)(N)	108.5170	0.000	1	108.5170	0.000	1	108.5170	0.000	1	108.5170	0.000	1	108.5170	0.000	1	107.7630	2.860	3
474	863	983	0:SP3_SP1_SP2	C[5]	O	C	4:4:2:1:	4:	4:2:	C[5,6]-4:C[5]-4:C-2:O-1:	C[5]-4:	C[5]-4:C-2:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC)(O)	O(C[5]C[5,6]C[5]C)	C(C[5]C[5,6]C[5]O)(CC[6a])	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC)(O){2|C<4>,5|H<1>}	O(C[5]C[5,6]C[5]C)	C(C[5]C[5,6]C[5]O)(CC[6a])	107.3860	2.206	2	107.3860	4.867	2	107.3860	4.867	2	107.3860	4.867	2	107.3860	4.867	2	107.7630	2.860	3
474	872	880	0:SP3_SP3_SP3	C[5]	Si[3,5]	Si	4:4:4:4:	3:3:4:4:	4:4:4:4:	Si[3,5]-4:C[5]-4:Si-4:Si-4:	Si[3]-3:Si[3]-3:C[5]-4:C[5]-4:	C[5]-4:C-4:C-4:C-4:	C[5](Si[3,5]Si[3]2C[5])(C[5]C[5]HH)(SiC3)2	Si[3,5](Si[3]Si[3]Si)2(C[5]C[5]Si2)2	Si(C[5]Si[3,5]C[5]Si)(CH3)3	C[5](Si[3,5]Si[3]2C[5])(C[5]C[5]HH)(SiC3)2{4|Si<4>,2|H<1>}	Si[3,5](Si[3]Si[3]Si)2(C[5]C[5]Si2)2{4|H<1>}	Si(C[5]Si[3,5]C[5]Si)(CH3)3	112.8738	1.773	4	112.8738	3.145	4	112.8738	3.145	4	112.8738	3.145	4	115.0504	5.527	56	115.0504	5.527	56
474	872	880	0:SP3_SP3_SP3	C[5]	Si[3,5]	Si	4:4:4:4:	3:4:4:4:	4:4:4:4:	Si[3,5]-4:C[5]-4:Si-4:Si-4:	N[3,5]-3:C[3,5]-4:C[5]-4:C[5]-4:	C[5]-4:C-4:C-4:C-4:	C[5](Si[3,5]C[3,5]N[3,5]C[5])(C[5]C[5]HH)(SiC3)2	Si[3,5](N[3,5]C[5,6a]C[3,5])(C[3,5]N[3,5]C[5]Si)(C[5]C[5]Si2)2	Si(C[5]Si[3,5]C[5]Si)(CH3)3	C[5](Si[3,5]C[3,5]N[3,5]C[5])(C[5]C[5]HH)(SiC3)2{3|Si<4>,1|C<3>,1|C<4>,2|H<1>}	Si[3,5](N[3,5]C[5,6a]C[3,5])(C[3,5]N[3,5]C[5]Si)(C[5]C[5]Si2)2{2|C<3>,6|H<1>}	Si(C[5]Si[3,5]C[5]Si)(CH3)3	116.8238	2.830	8	116.8238	8.011	8	116.8238	8.011	8	116.8238	8.011	8	115.0504	5.527	56	115.0504	5.527	56
474	872	880	0:SP3_SP3_SP3	C[5]	Si[3,5]	Si	4:4:4:4:	4:2:4:4:	4:4:4:4:	Si[3,5]-4:C[5]-4:Si-4:Si-4:	C[3,6,6]-4:O[3]-2:C[5]-4:C[5]-4:	C[5]-4:C-4:C-4:C-4:	C[5](Si[3,5]C[3,6,6]C[5]O[3])(C[5]C[5]HH)(SiC3)2	Si[3,5](C[3,6,6]C[3x6]2O[3])(O[3]C[3,6,6])(C[5]C[5]Si2)2	Si(C[5]Si[3,5]C[5]Si)(CH3)3	C[5](Si[3,5]C[3,6,6]C[5]O[3])(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|C<4>,2|H<1>}	Si[3,5](C[3,6,6]C[3x6]2O[3])(O[3]C[3,6,6])(C[5]C[5]Si2)2{4|C<4>,6|H<1>}	Si(C[5]Si[3,5]C[5]Si)(CH3)3	114.1940	1.792	4	114.1940	3.211	4	114.1940	3.211	4	114.1940	3.211	4	115.0504	5.527	56	115.0504	5.527	56
474	872	880	0:SP3_SP3_SP3	C[5]	Si[3,5]	Si	4:4:4:4:	4:3:4:4:	4:4:4:4:	Si[3,5]-4:C[5]-4:Si-4:Si-4:	C[3,6]-4:N[3,6]-3:C[5]-4:C[5]-4:	C[5]-4:C-4:C-4:C-4:	C[5](Si[3,5]C[3,6]N[3,6]C[5])(C[5]C[5]HH)(SiC3)2	Si[3,5](C[3,6]C[3,6]N[3,6]H)(N[3,6]C[6,6a]C[3,6])(C[5]C[5]Si2)2	Si(C[5]Si[3,5]C[5]Si)(CH3)3	C[5](Si[3,5]C[3,6]N[3,6]C[5])(C[5]C[5]HH)(SiC3)2{2|Si<4>,1|C<3>,1|C<4>,3|H<1>}	Si[3,5](C[3,6]C[3,6]N[3,6]H)(N[3,6]C[6,6a]C[3,6])(C[5]C[5]Si2)2{1|Si<4>,1|N<3>,2|C<3>,5|H<1>}	Si(C[5]Si[3,5]C[5]Si)(CH3)3	113.5484	1.138	8	113.5484	1.295	8	113.5484	1.295	8	114.0926	2.844	20	115.0504	5.527	56	115.0504	5.527	56
474	872	880	0:SP3_SP3_SP3	C[5]	Si[3,5]	Si	4:4:4:4:	4:3:4:4:	4:4:4:4:	Si[3,5]-4:C[5]-4:Si-4:Si-4:	C[3]-4:N[3]-3:C[5]-4:C[5]-4:	C[5]-4:C-4:C-4:C-4:	C[5](Si[3,5]C[3]C[5]N[3])(C[5]C[5]HH)(SiC3)2	Si[3,5](C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[5]C[5]Si2)2	Si(C[5]Si[3,5]C[5]Si)(CH3)3	C[5](Si[3,5]C[3]C[5]N[3])(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|C<3>,3|H<1>}	Si[3,5](C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[5]C[5]Si2)2{4|C<3>,4|H<1>}	Si(C[5]Si[3,5]C[5]Si)(CH3)3	114.4554	1.931	12	114.4554	3.730	12	114.4554	3.730	12	114.0926	2.844	20	115.0504	5.527	56	115.0504	5.527	56
474	872	880	0:SP3_SP3_SP3	C[5]	Si[3,5]	Si	4:4:4:4:	4:4:4:3:	4:4:4:4:	Si[3,5]-4:C[5]-4:Si-4:Si-4:	Si[3]-4:C[5]-4:C[5]-4:C[3]-3:	C[5]-4:C-4:C-4:C-4:	C[5](Si[3,5]Si[3]C[3]C[5])(C[5]C[5]HH)(SiC3)2	Si[3,5](Si[3]C[6a]C[3]C)(C[5]C[5]Si2)2(C[3]Si[3]N)	Si(C[5]Si[3,5]C[5]Si)(CH3)3	C[5](Si[3,5]Si[3]C[3]C[5])(C[5]C[5]HH)(SiC3)2{2|Si<4>,1|C<3>,1|C<4>,1|N<2>,2|H<1>}	Si[3,5](Si[3]C[6a]C[3]C)(C[5]C[5]Si2)2(C[3]Si[3]N){2|C<3>,4|H<1>}	Si(C[5]Si[3,5]C[5]Si)(CH3)3	116.3306	2.079	16	116.3306	4.322	16	116.3306	4.322	16	116.3306	4.322	16	115.0504	5.527	56	115.0504	5.527	56
474	872	880	0:SP3_SP3_SP3	C[5]	Si[3,5]	Si	4:4:4:4:	4:4:4:4:	4:4:4:4:	Si[3,5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:C[5]-4:C[3]-4:C[3]-4:	C[5]-4:C-4:C-4:C-4:	C[5](Si[3,5]C[3]2C[5])(C[5]C[5]HH)(SiC3)2	Si[3,5](C[5]C[5]Si2)2(C[3]C[3]CH)2	Si(C[5]Si[3,5]C[5]Si)(CH3)3	C[5](Si[3,5]C[3]2C[5])(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|C<3>,4|H<1>}	Si[3,5](C[5]C[5]Si2)2(C[3]C[3]CH)2{4|H<1>}	Si(C[5]Si[3,5]C[5]Si)(CH3)3	114.2043	2.271	4	114.2043	5.160	4	114.2043	5.160	4	114.2043	5.160	4	115.0504	5.527	56	115.0504	5.527	56
474	874	951	0:SP3_SP-NON_SP3	C[5,6,6]	B[6]	H	4:4:4:1:	4:3:3:2:	4:	C[5,5,6]-4:C[5,6,6]-4:B[6]-4:H-1:	C[5,6,6]-4:C[6a]-3:C[6a]-3:O[6]-2:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]P[6]H)(B[6]C[6a]2O[6])(H)	B[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6a]C[6a]2)2(O[6]C[6])	H(C[5,6,6]C[5,5,6]C[5,6,6]B[6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]P[6]H)(B[6]C[6a]2O[6])(H){2|C<4>,5|H<1>,6|C<3>}	B[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6a]C[6a]2)2(O[6]C[6]){1|P<4>,3|C<4>,3|H<1>,4|F<1>,5|C<3>}	H(C[5,6,6]C[5,5,6]C[5,6,6]B[6])	108.1350	0.000	1	108.1350	0.000	1	108.1350	0.000	1	108.1350	0.000	1	107.4035	1.070	2	106.5077	2.943	3
474	874	951	0:SP3_SP-NON_SP3	C[5,6,6]	B[6]	H	4:4:4:1:	4:3:3:4:	4:	C[5,5,6]-4:C[5,6,6]-4:B[6]-4:H-1:	C[5,6,6]-4:C[6a]-3:C[6a]-3:C[6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]P[6]H)(B[6]C[6a]2C[6])(H)	B[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6a]C[6a]2)2(C[6]C[6]HH)	H(C[5,6,6]C[5,5,6]C[5,6,6]B[6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]P[6]H)(B[6]C[6a]2C[6])(H){2|C<4>,6|C<3>,7|H<1>}	B[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6a]C[6a]2)2(C[6]C[6]HH){1|P<4>,3|C<4>,4|C<3>,4|F<1>,4|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]B[6])	106.6720	0.000	1	106.6720	0.000	1	106.6720	0.000	1	106.6720	0.000	1	107.4035	1.070	2	106.5077	2.943	3
474	874	951	0:SP3_SP-NON_SP3	C[5,6]	B[6]	H	4:4:4:1:	4:3:3:4:	4:	C[5,6]-4:B[6]-4:C[5,6]-4:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]P[6]H)(B[6]C[6a]2C[6])(C[5,6]C[5,6]2H)(H)	B[6](C[5,6]C[5,6]2H)(C[6a]C[6a]2)2(C[6]C[6]HH)	H(C[5,6]C[5,6]2B[6])	C[5,6](C[5,6]C[5]P[6]H)(B[6]C[6a]2C[6])(C[5,6]C[5,6]2H)(H){2|C<4>,4|H<1>,8|C<3>}	B[6](C[5,6]C[5,6]2H)(C[6a]C[6a]2)2(C[6]C[6]HH){1|C<4>,1|P<4>,4|F<1>,4|H<1>,6|C<3>}	H(C[5,6]C[5,6]2B[6])	104.7160	0.000	1	104.7160	0.000	1	104.7160	0.000	1	104.7160	0.000	1	104.7160	0.000	1	106.5077	2.943	3
474	880	880	0:SP3_SP3_SP3	C[5]	Si	Si	3:2:4:4:	4:4:4:4:	4:4:4:4:	C[5,6a]-3:O[5]-2:Si-4:Si-4:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C-4:C-4:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]Ge[5,6])(SiC3)2	Si(C[5]C[5,6a]O[5]Si)(CH3)3	Si(C[5]C[5,6a]O[5]Si)(CH3)3	C[5](C[5,6a]C[5,6a]C[6a])(O[5]Ge[5,6])(SiC3)2{1|H<1>,4|C<3>}	Si(C[5]C[5,6a]O[5]Si)(CH3)3	Si(C[5]C[5,6a]O[5]Si)(CH3)3	119.1680	0.000	1	119.1680	0.000	1	119.1680	0.000	1	119.1680	0.000	1	110.0040	4.021	197	110.0040	4.021	197
474	880	880	0:SP3_SP3_SP3	C[5]	Si	Si	3:3:4:4:	4:4:4:4:	4:4:4:4:	B[5]-3:C[5]-3:Si-4:Si-4:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C-4:C-4:C-4:	C[5](B[5]C[6a]C[5])(C[5]C[6a]C[5])(SiC3)2	Si(C[5]B[5]C[5]Si)(CH3)3	Si(C[5]B[5]C[5]Si)(CH3)3	C[5](B[5]C[6a]C[5])(C[5]C[6a]C[5])(SiC3)2{1|B<3>,1|C<2>,4|C<3>}	Si(C[5]B[5]C[5]Si)(CH3)3	Si(C[5]B[5]C[5]Si)(CH3)3	112.2030	0.000	1	112.2030	0.000	1	113.2130	2.040	2	113.4643	3.510	4	110.0040	4.021	197	110.0040	4.021	197
474	880	880	0:SP3_SP3_SP3	C[5]	Si	Si	3:3:4:4:	4:4:4:4:	4:4:4:4:	B[5]-3:C[5]-3:Si-4:Si-4:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C-4:C-4:C-4:	C[5](B[5]N[5]O)(C[5]C[5]H)(SiC3)2	Si(C[5]B[5]C[5]Si)(CH3)3	Si(C[5]B[5]C[5]Si)(CH3)3	C[5](B[5]N[5]O)(C[5]C[5]H)(SiC3)2{1|B<3>,1|C<3>}	Si(C[5]B[5]C[5]Si)(CH3)3	Si(C[5]B[5]C[5]Si)(CH3)3	114.2230	0.000	1	114.2230	0.000	1	113.2130	2.040	2	113.4643	3.510	4	110.0040	4.021	197	110.0040	4.021	197
474	880	880	0:SP3_SP3_SP3	C[5]	Si	Si	3:3:4:4:	4:4:4:4:	4:4:4:4:	C[5,6a]-3:B[5]-3:Si-4:Si-4:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C-4:C-4:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(B[5]Si[5]O)(SiC3)2	Si(C[5]C[5,6a]B[5]Si)(CH3)3	Si(C[5]C[5,6a]B[5]Si)(CH3)3	C[5](C[5,6a]C[5,6a]C[6a])(B[5]Si[5]O)(SiC3)2{2|H<1>,3|C<3>}	Si(C[5]C[5,6a]B[5]Si)(CH3)3	Si(C[5]C[5,6a]B[5]Si)(CH3)3	111.6860	0.000	1	111.6860	0.000	1	111.6860	0.000	1	113.4643	3.510	4	110.0040	4.021	197	110.0040	4.021	197
474	880	880	0:SP3_SP3_SP3	C[5]	Si	Si	3:3:4:4:	4:4:4:4:	4:4:4:4:	C[5,6a]-3:C[5,6a]-3:Si-4:Si-4:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:C-4:C-4:C-4:	C[5](C[5,6a]C[5,6a]C[6a])2(SiC[5]CC)(SiC3)	Si(C[5]C[5,6a]2Si)(C[5]C[5,6a]2C)(CH3)2	Si(C[5]C[5,6a]2Si)(CH3)3	C[5](C[5,6a]C[5,6a]C[6a])2(SiC[5]CC)(SiC3){2|H<1>,4|C<3>}	Si(C[5]C[5,6a]2Si)(C[5]C[5,6a]2C)(CH3)2	Si(C[5]C[5,6a]2Si)(CH3)3	115.7450	0.000	1	115.7450	0.000	1	115.7450	0.000	1	113.4643	3.510	4	110.0040	4.021	197	110.0040	4.021	197
474	880	880	0:SP3_SP3_SP3	C[5]	Si	Si	3:4:4:4:	4:4:4:4:	4:4:4:4:	Ge[5]-3:C[5]-4:Si-4:Si-4:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C-4:C-4:C-4:	C[5](Ge[5]C[5]Ge)(C[5]C[5]HH)(SiC3)2	Si(C[5]Ge[5]C[5]Si)(CH3)3	Si(C[5]Ge[5]C[5]Si)(CH3)3	C[5](Ge[5]C[5]Ge)(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|H<1>}	Si(C[5]Ge[5]C[5]Si)(CH3)3	Si(C[5]Ge[5]C[5]Si)(CH3)3	112.1065	0.337	4	112.1065	0.114	4	112.0303	0.096	6	110.7809	0.982	48	110.0040	4.021	197	110.0040	4.021	197
474	880	880	0:SP3_SP3_SP3	C[5]	Si	Si	3:4:4:4:	4:4:4:4:	4:4:4:4:	Ge[5]-3:C[5]-4:Si-4:Si-4:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C-4:C-4:C-4:	C[5](Ge[5]C[5]Si)(C[5]C[5]HH)(SiC3)2	Si(C[5]Ge[5]C[5]Si)(CH3)3	Si(C[5]Ge[5]C[5]Si)(CH3)3	C[5](Ge[5]C[5]Si)(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|H<1>}	Si(C[5]Ge[5]C[5]Si)(CH3)3	Si(C[5]Ge[5]C[5]Si)(CH3)3	111.8780	0.263	2	111.8780	0.069	2	112.0303	0.096	6	110.7809	0.982	48	110.0040	4.021	197	110.0040	4.021	197
474	880	880	0:SP3_SP3_SP3	C[5]	Si	Si	3:4:4:4:	4:4:4:4:	4:4:4:4:	P[5]-3:C[5]-4:Si-4:Si-4:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C-4:C-4:C-4:	C[5](P[5]C[3x6]C[5])(C[5]C[5]HH)(SiC3)2	Si(C[5]C[5]P[5]Si)(CH3)3	Si(C[5]C[5]P[5]Si)(CH3)3	C[5](P[5]C[3x6]C[5])(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|H<1>,3|C<4>}	Si(C[5]C[5]P[5]Si)(CH3)3	Si(C[5]C[5]P[5]Si)(CH3)3	108.6665	1.327	2	108.6665	1.762	2	108.6665	1.762	2	110.7809	0.982	48	110.0040	4.021	197	110.0040	4.021	197
474	880	880	0:SP3_SP3_SP3	C[5]	Si	Si	3:4:4:4:	4:4:4:4:	4:4:4:4:	Si[5]-3:C[5]-4:Si-4:Si-4:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C-4:C-4:C-4:	C[5](Si[5]C[5]Ni)(C[5]C[5]HH)(SiC3)2	Si(C[5]Si[5]C[5]Si)(CH3)3	Si(C[5]Si[5]C[5]Si)(CH3)3	C[5](Si[5]C[5]Ni)(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|H<1>}	Si(C[5]Si[5]C[5]Si)(CH3)3	Si(C[5]Si[5]C[5]Si)(CH3)3	110.9048	0.569	4	110.9048	0.323	4	110.6992	0.649	40	110.7809	0.982	48	110.0040	4.021	197	110.0040	4.021	197
474	880	880	0:SP3_SP3_SP3	C[5]	Si	Si	3:4:4:4:	4:4:4:4:	4:4:4:4:	Si[5]-3:C[5]-4:Si-4:Si-4:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C-4:C-4:C-4:	C[5](Si[5]C[5]Pd)(C[5]C[5]HH)(SiC3)2	Si(C[5]Si[5]C[5]Si)(CH3)3	Si(C[5]Si[5]C[5]Si)(CH3)3	C[5](Si[5]C[5]Pd)(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|H<1>}	Si(C[5]Si[5]C[5]Si)(CH3)3	Si(C[5]Si[5]C[5]Si)(CH3)3	110.7935	0.234	2	110.7935	0.055	2	110.6992	0.649	40	110.7809	0.982	48	110.0040	4.021	197	110.0040	4.021	197
474	880	880	0:SP3_SP3_SP3	C[5]	Si	Si	3:4:4:4:	4:4:4:4:	4:4:4:4:	Si[5]-3:C[5]-4:Si-4:Si-4:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C-4:C-4:C-4:	C[5](Si[5]C[5]Pt)(C[5]C[5]HH)(SiC3)2	Si(C[5]Si[5]C[5]Si)(CH3)3	Si(C[5]Si[5]C[5]Si)(CH3)3	C[5](Si[5]C[5]Pt)(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|H<1>}	Si(C[5]Si[5]C[5]Si)(CH3)3	Si(C[5]Si[5]C[5]Si)(CH3)3	110.1615	0.944	4	110.1615	0.891	4	110.6992	0.649	40	110.7809	0.982	48	110.0040	4.021	197	110.0040	4.021	197
474	880	880	0:SP3_SP3_SP3	C[5]	Si	Si	3:4:4:4:	4:4:4:4:	4:4:4:4:	Si[5]-3:C[5]-4:Si-4:Si-4:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C-4:C-4:C-4:	C[5](Si[5]C[5]Se)(C[5]C[5]HH)(SiC3)2	Si(C[5]Si[5]C[5]Si)(CH3)3	Si(C[5]Si[5]C[5]Si)(CH3)3	C[5](Si[5]C[5]Se)(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|H<1>}	Si(C[5]Si[5]C[5]Si)(CH3)3	Si(C[5]Si[5]C[5]Si)(CH3)3	110.8505	0.199	2	110.8505	0.039	2	110.6992	0.649	40	110.7809	0.982	48	110.0040	4.021	197	110.0040	4.021	197
474	880	880	0:SP3_SP3_SP3	C[5]	Si	Si	3:4:4:4:	4:4:4:4:	4:4:4:4:	Si[5]-3:C[5]-4:Si-4:Si-4:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C-4:C-4:C-4:	C[5](Si[5]C[5]Si)(C[5]C[5]HH)(SiC3)2	Si(C[5]Si[5]C[5]Si)(CH3)3	Si(C[5]Si[5]C[5]Si)(CH3)3	C[5](Si[5]C[5]Si)(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|H<1>}	Si(C[5]Si[5]C[5]Si)(CH3)3	Si(C[5]Si[5]C[5]Si)(CH3)3	110.7209	0.919	24	110.7209	0.844	24	110.6992	0.649	40	110.7809	0.982	48	110.0040	4.021	197	110.0040	4.021	197
474	880	880	0:SP3_SP3_SP3	C[5]	Si	Si	3:4:4:4:	4:4:4:4:	4:4:4:4:	Si[5]-3:C[5]-4:Si-4:Si-4:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C-4:C-4:C-4:	C[5](Si[5]C[5]Te)(C[5]C[5]HH)(SiC3)2	Si(C[5]Si[5]C[5]Si)(CH3)3	Si(C[5]Si[5]C[5]Si)(CH3)3	C[5](Si[5]C[5]Te)(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|H<1>}	Si(C[5]Si[5]C[5]Si)(CH3)3	Si(C[5]Si[5]C[5]Si)(CH3)3	110.4825	0.504	2	110.4825	0.254	2	110.6992	0.649	40	110.7809	0.982	48	110.0040	4.021	197	110.0040	4.021	197
474	880	880	0:SP3_SP3_SP3	C[5]	Si	Si	3:4:4:4:	4:4:4:4:	4:4:4:4:	Si[5]-3:C[5]-4:Si-4:Si-4:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C-4:C-4:C-4:	C[5](Si[5]Si[4,4]C[5])(C[5]C[5]HH)(SiC3)2	Si(C[5]Si[5]C[5]Si)(CH3)3	Si(C[5]Si[5]C[5]Si)(CH3)3	C[5](Si[5]Si[4,4]C[5])(C[5]C[5]HH)(SiC3)2{4|Si<4>,2|H<1>}	Si(C[5]Si[5]C[5]Si)(CH3)3	Si(C[5]Si[5]C[5]Si)(CH3)3	111.0740	0.379	2	111.0740	0.144	2	110.6992	0.649	40	110.7809	0.982	48	110.0040	4.021	197	110.0040	4.021	197
474	880	880	0:SP3_SP3_SP3	C[5]	Si	Si	4:2:4:4:	4:4:4:4:	4:4:4:4:	C[5]-4:P[5]-2:Si-4:Si-4:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C-4:C-4:C-4:	C[5](C[5]C[5]HH)(P[5]C[5])(SiC3)2	Si(C[5]C[5]P[5]Si)(CH3)3	Si(C[5]C[5]P[5]Si)(CH3)3	C[5](C[5]C[5]HH)(P[5]C[5])(SiC3)2{2|Si<4>,2|H<1>}	Si(C[5]C[5]P[5]Si)(CH3)3	Si(C[5]C[5]P[5]Si)(CH3)3	112.1515	0.919	8	112.1515	0.844	8	112.1515	0.844	8	111.9589	1.456	11	110.0040	4.021	197	110.0040	4.021	197
474	880	880	0:SP3_SP3_SP3	C[5]	Si	Si	4:2:4:4:	4:4:4:4:	4:4:4:4:	C[5]-4:Si[5]-2:Si-4:Si-4:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C-4:C-4:C-4:	C[5](C[5]C[5]HH)(Si[5]C[5])(SiC3)2	Si(C[5]Si[5]C[5]Si)(CH3)3	Si(C[5]Si[5]C[5]Si)(CH3)3	C[5](C[5]C[5]HH)(Si[5]C[5])(SiC3)2{2|Si<4>,2|H<1>}	Si(C[5]Si[5]C[5]Si)(CH3)3	Si(C[5]Si[5]C[5]Si)(CH3)3	110.3225	0.018	2	110.3225	0.000	2	110.3225	0.000	2	111.9589	1.456	11	110.0040	4.021	197	110.0040	4.021	197
474	880	880	0:SP3_SP3_SP3	C[5]	Si	Si	4:2:4:4:	4:4:4:4:	4:4:4:4:	P[5]-4:As[5]-2:Si-4:Si-4:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C-4:C-4:C-4:	C[5](P[5]O[5]OW)(As[5]C[5])(SiC3)2	Si(C[5]As[5]P[5]Si)(CH3)3	Si(C[5]As[5]P[5]Si)(CH3)3	C[5](P[5]O[5]OW)(As[5]C[5])(SiC3)2{1|C<3>}	Si(C[5]As[5]P[5]Si)(CH3)3	Si(C[5]As[5]P[5]Si)(CH3)3	113.6910	0.000	1	113.6910	0.000	1	113.6910	0.000	1	111.9589	1.456	11	110.0040	4.021	197	110.0040	4.021	197
474	880	880	0:SP3_SP3_SP3	C[5]	Si	Si	4:3:4:4:	4:4:4:4:	4:4:4:4:	C[5]-4:B[5]-3:Si-4:Si-4:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C-4:C-4:C-4:	C[5](C[5]C[5]HH)(B[5]N[5]O)(SiC3)2	Si(C[5]B[5]C[5]Si)(CH3)3	Si(C[5]B[5]C[5]Si)(CH3)3	C[5](C[5]C[5]HH)(B[5]N[5]O)(SiC3)2{1|B<3>,1|C<3>}	Si(C[5]B[5]C[5]Si)(CH3)3	Si(C[5]B[5]C[5]Si)(CH3)3	114.8670	0.000	1	112.8887	3.290	3	112.8887	3.290	3	110.4231	2.705	29	110.0040	4.021	197	110.0040	4.021	197
474	880	880	0:SP3_SP3_SP3	C[5]	Si	Si	4:3:4:4:	4:4:4:4:	4:4:4:4:	C[5]-4:B[5]-3:Si-4:Si-4:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C-4:C-4:C-4:	C[5](C[5]C[5]HH)(B[5]N[5]O)(SiC3)2	Si(C[5]B[5]C[5]Si)(CH3)3	Si(C[5]B[5]C[5]Si)(CH3)3	C[5](C[5]C[5]HH)(B[5]N[5]O)(SiC3)2{1|B<4>,1|C<3>}	Si(C[5]B[5]C[5]Si)(CH3)3	Si(C[5]B[5]C[5]Si)(CH3)3	111.8995	0.842	2	112.8887	3.290	3	112.8887	3.290	3	110.4231	2.705	29	110.0040	4.021	197	110.0040	4.021	197
474	880	880	0:SP3_SP3_SP3	C[5]	Si	Si	4:3:4:4:	4:4:4:4:	4:4:4:4:	C[5]-4:P[5]-3:Si-4:Si-4:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C-4:C-4:C-4:	C[5](C[5]C[5]HH)(P[5]C[5]C)(SiC3)2	Si(C[5]C[5]P[5]Si)(CH3)3	Si(C[5]C[5]P[5]Si)(CH3)3	C[5](C[5]C[5]HH)(P[5]C[5]C)(SiC3)2{2|Si<4>,2|H<1>}	Si(C[5]C[5]P[5]Si)(CH3)3	Si(C[5]C[5]P[5]Si)(CH3)3	108.6680	1.916	4	108.6680	3.672	4	109.2561	1.671	14	110.4231	2.705	29	110.0040	4.021	197	110.0040	4.021	197
474	880	880	0:SP3_SP3_SP3	C[5]	Si	Si	4:3:4:4:	4:4:4:4:	4:4:4:4:	C[5]-4:P[5]-3:Si-4:Si-4:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C-4:C-4:C-4:	C[5](C[5]C[5]HH)(P[5]C[5]Cl)(SiC3)2	Si(C[5]C[5]P[5]Si)(CH3)3	Si(C[5]C[5]P[5]Si)(CH3)3	C[5](C[5]C[5]HH)(P[5]C[5]Cl)(SiC3)2{2|Si<4>,2|H<1>}	Si(C[5]C[5]P[5]Si)(CH3)3	Si(C[5]C[5]P[5]Si)(CH3)3	107.9825	0.769	2	107.9825	0.591	2	109.2561	1.671	14	110.4231	2.705	29	110.0040	4.021	197	110.0040	4.021	197
474	880	880	0:SP3_SP3_SP3	C[5]	Si	Si	4:3:4:4:	4:4:4:4:	4:4:4:4:	C[5]-4:P[5]-3:Si-4:Si-4:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C-4:C-4:C-4:	C[5](C[5]C[5]HH)(P[5]C[5]Fe)(SiC3)2	Si(C[5]C[5]P[5]Si)(CH3)3	Si(C[5]C[5]P[5]Si)(CH3)3	C[5](C[5]C[5]HH)(P[5]C[5]Fe)(SiC3)2{2|Si<4>,2|H<1>}	Si(C[5]C[5]P[5]Si)(CH3)3	Si(C[5]C[5]P[5]Si)(CH3)3	109.8685	0.595	8	109.8685	0.354	8	109.2561	1.671	14	110.4231	2.705	29	110.0040	4.021	197	110.0040	4.021	197
474	880	880	0:SP3_SP3_SP3	C[5]	Si	Si	4:3:4:4:	4:4:4:4:	4:4:4:4:	C[5]-4:Si[5]-3:Si-4:Si-4:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C-4:C-4:C-4:	C[5](C[5]C[5]HH)(Si[5]C[5]C)(SiC3)2	Si(C[5]Si[5]C[5]Si)(CH3)3	Si(C[5]Si[5]C[5]Si)(CH3)3	C[5](C[5]C[5]HH)(Si[5]C[5]C)(SiC3)2{2|Si<4>,2|H<1>}	Si(C[5]Si[5]C[5]Si)(CH3)3	Si(C[5]Si[5]C[5]Si)(CH3)3	111.1015	0.093	2	111.1015	0.009	2	111.1683	0.316	12	110.4231	2.705	29	110.0040	4.021	197	110.0040	4.021	197
474	880	880	0:SP3_SP3_SP3	C[5]	Si	Si	4:3:4:4:	4:4:4:4:	4:4:4:4:	C[5]-4:Si[5]-3:Si-4:Si-4:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C-4:C-4:C-4:	C[5](C[5]C[5]HH)(Si[5]C[5]N)(SiC3)2	Si(C[5]Si[5]C[5]Si)(CH3)3	Si(C[5]Si[5]C[5]Si)(CH3)3	C[5](C[5]C[5]HH)(Si[5]C[5]N)(SiC3)2{2|Si<4>,2|H<1>}	Si(C[5]Si[5]C[5]Si)(CH3)3	Si(C[5]Si[5]C[5]Si)(CH3)3	111.3476	0.463	8	111.3476	0.214	8	111.1683	0.316	12	110.4231	2.705	29	110.0040	4.021	197	110.0040	4.021	197
474	880	880	0:SP3_SP3_SP3	C[5]	Si	Si	4:3:4:4:	4:4:4:4:	4:4:4:4:	C[5]-4:Si[5]-3:Si-4:Si-4:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C-4:C-4:C-4:	C[5](C[5]C[5]HH)(Si[5]C[5]S)(SiC3)2	Si(C[5]Si[5]C[5]Si)(CH3)3	Si(C[5]Si[5]C[5]Si)(CH3)3	C[5](C[5]C[5]HH)(Si[5]C[5]S)(SiC3)2{2|Si<4>,2|H<1>}	Si(C[5]Si[5]C[5]Si)(CH3)3	Si(C[5]Si[5]C[5]Si)(CH3)3	110.5180	0.928	2	110.5180	0.861	2	111.1683	0.316	12	110.4231	2.705	29	110.0040	4.021	197	110.0040	4.021	197
474	880	880	0:SP3_SP3_SP3	C[5]	Si	Si	4:4:4:4:	4:4:4:4:	4:4:4:4:	Ga[5]-4:Si[5]-4:Si-4:Si-4:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C-4:C-4:C-4:	C[5](Ga[5]N[5,6]C[5]2)(Si[5]C[5,6]CC)(SiC3)2	Si(C[5]Ga[5]Si[5]Si)(CH3)3	Si(C[5]Ga[5]Si[5]Si)(CH3)3	C[5](Ga[5]N[5,6]C[5]2)(Si[5]C[5,6]CC)(SiC3)2{2|H<1>,6|C<3>}	Si(C[5]Ga[5]Si[5]Si)(CH3)3	Si(C[5]Ga[5]Si[5]Si)(CH3)3	111.7250	0.000	1	111.7250	0.000	1	112.2710	0.596	2	109.0147	3.042	102	110.0040	4.021	197	110.0040	4.021	197
474	880	880	0:SP3_SP3_SP3	C[5]	Si	Si	4:4:4:4:	4:4:4:4:	4:4:4:4:	Ga[5]-4:Si[5]-4:Si-4:Si-4:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C-4:C-4:C-4:	C[5](Ga[5]N[5,6]Cl2)(Si[5]C[5,6]CC)(SiC3)2	Si(C[5]Ga[5]Si[5]Si)(CH3)3	Si(C[5]Ga[5]Si[5]Si)(CH3)3	C[5](Ga[5]N[5,6]Cl2)(Si[5]C[5,6]CC)(SiC3)2{2|C<3>}	Si(C[5]Ga[5]Si[5]Si)(CH3)3	Si(C[5]Ga[5]Si[5]Si)(CH3)3	112.8170	0.000	1	112.8170	0.000	1	112.2710	0.596	2	109.0147	3.042	102	110.0040	4.021	197	110.0040	4.021	197
474	880	880	0:SP3_SP3_SP3	C[5]	Si	Si	4:4:4:4:	4:4:4:4:	4:4:4:4:	Ge[5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C-4:C-4:C-4:	C[5](Ge[5]C[5]OO)(C[5]C[5]HH)(SiC3)2	Si(C[5]Ge[5]C[5]Si)(CH3)3	Si(C[5]Ge[5]C[5]Si)(CH3)3	C[5](Ge[5]C[5]OO)(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|H<1>}	Si(C[5]Ge[5]C[5]Si)(CH3)3	Si(C[5]Ge[5]C[5]Si)(CH3)3	107.9370	0.038	2	107.9370	0.001	2	107.9370	0.001	2	109.0147	3.042	102	110.0040	4.021	197	110.0040	4.021	197
474	880	880	0:SP3_SP3_SP3	C[5]	Si	Si	4:4:4:4:	4:4:4:4:	4:4:4:4:	In[5]-4:Si[5]-4:Si-4:Si-4:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C-4:C-4:C-4:	C[5](In[5]N[5,6]Cl2)(Si[5]C[5,6]CC)(SiC3)2	Si(C[5]In[5]Si[5]Si)(CH3)3	Si(C[5]In[5]Si[5]Si)(CH3)3	C[5](In[5]N[5,6]Cl2)(Si[5]C[5,6]CC)(SiC3)2{2|C<3>}	Si(C[5]In[5]Si[5]Si)(CH3)3	Si(C[5]In[5]Si[5]Si)(CH3)3	112.8700	0.000	1	112.8700	0.000	1	112.9790	0.024	2	109.0147	3.042	102	110.0040	4.021	197	110.0040	4.021	197
474	880	880	0:SP3_SP3_SP3	C[5]	Si	Si	4:4:4:4:	4:4:4:4:	4:4:4:4:	In[5]-4:Si[5]-4:Si-4:Si-4:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C-4:C-4:C-4:	C[5](In[5]N[5,6]II)(Si[5]C[5,6]CC)(SiC3)2	Si(C[5]In[5]Si[5]Si)(CH3)3	Si(C[5]In[5]Si[5]Si)(CH3)3	C[5](In[5]N[5,6]II)(Si[5]C[5,6]CC)(SiC3)2{2|C<3>}	Si(C[5]In[5]Si[5]Si)(CH3)3	Si(C[5]In[5]Si[5]Si)(CH3)3	113.0880	0.000	1	113.0880	0.000	1	112.9790	0.024	2	109.0147	3.042	102	110.0040	4.021	197	110.0040	4.021	197
474	880	880	0:SP3_SP3_SP3	C[5]	Si	Si	4:4:4:4:	4:4:4:4:	4:4:4:4:	Si[3,5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C-4:C-4:C-4:	C[5](Si[3,5]C[3,5]N[3,5]C[5])(C[5]C[5]HH)(SiC3)2	Si(C[5]Si[3,5]C[5]Si)(CH3)3	Si(C[5]Si[3,5]C[5]Si)(CH3)3	C[5](Si[3,5]C[3,5]N[3,5]C[5])(C[5]C[5]HH)(SiC3)2{3|Si<4>,1|C<3>,1|C<4>,2|H<1>}	Si(C[5]Si[3,5]C[5]Si)(CH3)3	Si(C[5]Si[3,5]C[5]Si)(CH3)3	109.0335	0.741	4	109.0335	0.549	4	109.6215	1.576	28	109.0147	3.042	102	110.0040	4.021	197	110.0040	4.021	197
474	880	880	0:SP3_SP3_SP3	C[5]	Si	Si	4:4:4:4:	4:4:4:4:	4:4:4:4:	Si[3,5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C-4:C-4:C-4:	C[5](Si[3,5]C[3,6,6]C[5]O[3])(C[5]C[5]HH)(SiC3)2	Si(C[5]Si[3,5]C[5]Si)(CH3)3	Si(C[5]Si[3,5]C[5]Si)(CH3)3	C[5](Si[3,5]C[3,6,6]C[5]O[3])(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|C<4>,2|H<1>}	Si(C[5]Si[3,5]C[5]Si)(CH3)3	Si(C[5]Si[3,5]C[5]Si)(CH3)3	111.0865	0.786	2	111.0865	0.617	2	109.6215	1.576	28	109.0147	3.042	102	110.0040	4.021	197	110.0040	4.021	197
474	880	880	0:SP3_SP3_SP3	C[5]	Si	Si	4:4:4:4:	4:4:4:4:	4:4:4:4:	Si[3,5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C-4:C-4:C-4:	C[5](Si[3,5]C[3,6]N[3,6]C[5])(C[5]C[5]HH)(SiC3)2	Si(C[5]Si[3,5]C[5]Si)(CH3)3	Si(C[5]Si[3,5]C[5]Si)(CH3)3	C[5](Si[3,5]C[3,6]N[3,6]C[5])(C[5]C[5]HH)(SiC3)2{2|Si<4>,1|C<3>,1|C<4>,3|H<1>}	Si(C[5]Si[3,5]C[5]Si)(CH3)3	Si(C[5]Si[3,5]C[5]Si)(CH3)3	111.0327	0.301	4	111.0327	0.091	4	109.6215	1.576	28	109.0147	3.042	102	110.0040	4.021	197	110.0040	4.021	197
474	880	880	0:SP3_SP3_SP3	C[5]	Si	Si	4:4:4:4:	4:4:4:4:	4:4:4:4:	Si[3,5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C-4:C-4:C-4:	C[5](Si[3,5]C[3]2C[5])(C[5]C[5]HH)(SiC3)2	Si(C[5]Si[3,5]C[5]Si)(CH3)3	Si(C[5]Si[3,5]C[5]Si)(CH3)3	C[5](Si[3,5]C[3]2C[5])(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|C<3>,4|H<1>}	Si(C[5]Si[3,5]C[5]Si)(CH3)3	Si(C[5]Si[3,5]C[5]Si)(CH3)3	110.9185	0.551	2	110.9185	0.303	2	109.6215	1.576	28	109.0147	3.042	102	110.0040	4.021	197	110.0040	4.021	197
474	880	880	0:SP3_SP3_SP3	C[5]	Si	Si	4:4:4:4:	4:4:4:4:	4:4:4:4:	Si[3,5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C-4:C-4:C-4:	C[5](Si[3,5]C[3]C[5]N[3])(C[5]C[5]HH)(SiC3)2	Si(C[5]Si[3,5]C[5]Si)(CH3)3	Si(C[5]Si[3,5]C[5]Si)(CH3)3	C[5](Si[3,5]C[3]C[5]N[3])(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|C<3>,3|H<1>}	Si(C[5]Si[3,5]C[5]Si)(CH3)3	Si(C[5]Si[3,5]C[5]Si)(CH3)3	108.6715	1.282	6	108.6715	1.644	6	109.6215	1.576	28	109.0147	3.042	102	110.0040	4.021	197	110.0040	4.021	197
474	880	880	0:SP3_SP3_SP3	C[5]	Si	Si	4:4:4:4:	4:4:4:4:	4:4:4:4:	Si[3,5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C-4:C-4:C-4:	C[5](Si[3,5]Si[3]2C[5])(C[5]C[5]HH)(SiC3)2	Si(C[5]Si[3,5]C[5]Si)(CH3)3	Si(C[5]Si[3,5]C[5]Si)(CH3)3	C[5](Si[3,5]Si[3]2C[5])(C[5]C[5]HH)(SiC3)2{4|Si<4>,2|H<1>}	Si(C[5]Si[3,5]C[5]Si)(CH3)3	Si(C[5]Si[3,5]C[5]Si)(CH3)3	110.5460	0.686	2	110.5460	0.470	2	109.6215	1.576	28	109.0147	3.042	102	110.0040	4.021	197	110.0040	4.021	197
474	880	880	0:SP3_SP3_SP3	C[5]	Si	Si	4:4:4:4:	4:4:4:4:	4:4:4:4:	Si[3,5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C-4:C-4:C-4:	C[5](Si[3,5]Si[3]C[3]C[5])(C[5]C[5]HH)(SiC3)2	Si(C[5]Si[3,5]C[5]Si)(CH3)3	Si(C[5]Si[3,5]C[5]Si)(CH3)3	C[5](Si[3,5]Si[3]C[3]C[5])(C[5]C[5]HH)(SiC3)2{2|Si<4>,1|C<3>,1|C<4>,1|N<2>,2|H<1>}	Si(C[5]Si[3,5]C[5]Si)(CH3)3	Si(C[5]Si[3,5]C[5]Si)(CH3)3	109.0009	0.737	8	109.0009	0.543	8	109.6215	1.576	28	109.0147	3.042	102	110.0040	4.021	197	110.0040	4.021	197
474	880	880	0:SP3_SP3_SP3	C[5]	Si	Si	4:4:4:4:	4:4:4:4:	4:4:4:4:	Si[3x5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C-4:C-4:C-4:	C[5](Si[3x5]C[5,5,6]2C[5])(C[5]C[5]HH)(SiC3)2	Si(C[5]Si[3x5]C[5]Si)(CH3)3	Si(C[5]Si[3x5]C[5]Si)(CH3)3	C[5](Si[3x5]C[5,5,6]2C[5])(C[5]C[5]HH)(SiC3)2{2|Si<4>,1|C<4>,3|C<3>,4|H<1>}	Si(C[5]Si[3x5]C[5]Si)(CH3)3	Si(C[5]Si[3x5]C[5]Si)(CH3)3	109.1290	0.747	2	109.1290	0.558	2	109.1290	0.558	2	109.0147	3.042	102	110.0040	4.021	197	110.0040	4.021	197
474	880	880	0:SP3_SP3_SP3	C[5]	Si	Si	4:4:4:4:	4:4:4:4:	4:4:4:4:	Si[4,5,5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C-4:C-4:C-4:	C[5](Si[4,5,5]Si[4,4,5,5]2C[5])(C[5]C[5]HH)(SiC3)2	Si(C[5]Si[4,5,5]C[5]Si)(CH3)3	Si(C[5]Si[4,5,5]C[5]Si)(CH3)3	C[5](Si[4,5,5]Si[4,4,5,5]2C[5])(C[5]C[5]HH)(SiC3)2{5|Si<4>,2|H<1>}	Si(C[5]Si[4,5,5]C[5]Si)(CH3)3	Si(C[5]Si[4,5,5]C[5]Si)(CH3)3	109.9680	1.604	2	109.9680	2.572	2	109.9680	2.572	2	109.0147	3.042	102	110.0040	4.021	197	110.0040	4.021	197
474	880	880	0:SP3_SP3_SP3	C[5]	Si	Si	4:4:4:4:	4:4:4:4:	4:4:4:4:	Si[4,5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C-4:C-4:C-4:	C[5](Si[4,5]C[4]C[5]O[4])(C[5]C[5]HH)(SiC3)2	Si(C[5]Si[4,5]C[5]Si)(CH3)3	Si(C[5]Si[4,5]C[5]Si)(CH3)3	C[5](Si[4,5]C[4]C[5]O[4])(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|C<3>,2|H<1>}	Si(C[5]Si[4,5]C[5]Si)(CH3)3	Si(C[5]Si[4,5]C[5]Si)(CH3)3	110.5475	0.272	2	110.5475	0.074	2	109.1250	3.121	22	109.0147	3.042	102	110.0040	4.021	197	110.0040	4.021	197
474	880	880	0:SP3_SP3_SP3	C[5]	Si	Si	4:4:4:4:	4:4:4:4:	4:4:4:4:	Si[4,5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C-4:C-4:C-4:	C[5](Si[4,5]C[5]O[4]2)(C[5]C[5]HH)(SiC3)2	Si(C[5]Si[4,5]C[5]Si)(CH3)3	Si(C[5]Si[4,5]C[5]Si)(CH3)3	C[5](Si[4,5]C[5]O[4]2)(C[5]C[5]HH)(SiC3)2{2|Si<4>,1|C<3>,2|H<1>}	Si(C[5]Si[4,5]C[5]Si)(CH3)3	Si(C[5]Si[4,5]C[5]Si)(CH3)3	109.5215	1.674	2	110.8580	1.767	6	109.1250	3.121	22	109.0147	3.042	102	110.0040	4.021	197	110.0040	4.021	197
474	880	880	0:SP3_SP3_SP3	C[5]	Si	Si	4:4:4:4:	4:4:4:4:	4:4:4:4:	Si[4,5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C-4:C-4:C-4:	C[5](Si[4,5]C[5]O[4]2)(C[5]C[5]HH)(SiC3)2	Si(C[5]Si[4,5]C[5]Si)(CH3)3	Si(C[5]Si[4,5]C[5]Si)(CH3)3	C[5](Si[4,5]C[5]O[4]2)(C[5]C[5]HH)(SiC3)2{3|Si<4>,2|H<1>}	Si(C[5]Si[4,5]C[5]Si)(CH3)3	Si(C[5]Si[4,5]C[5]Si)(CH3)3	111.5263	0.475	4	110.8580	1.767	6	109.1250	3.121	22	109.0147	3.042	102	110.0040	4.021	197	110.0040	4.021	197
474	880	880	0:SP3_SP3_SP3	C[5]	Si	Si	4:4:4:4:	4:4:4:4:	4:4:4:4:	Si[4,5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C-4:C-4:C-4:	C[5](Si[4,5]C[5]S[4]2)(C[5]C[5]HH)(SiC3)2	Si(C[5]Si[4,5]C[5]Si)(CH3)3	Si(C[5]Si[4,5]C[5]Si)(CH3)3	C[5](Si[4,5]C[5]S[4]2)(C[5]C[5]HH)(SiC3)2{2|Si<4>,1|C<3>,2|H<1>}	Si(C[5]Si[4,5]C[5]Si)(CH3)3	Si(C[5]Si[4,5]C[5]Si)(CH3)3	107.9990	0.017	2	107.9990	0.000	2	109.1250	3.121	22	109.0147	3.042	102	110.0040	4.021	197	110.0040	4.021	197
474	880	880	0:SP3_SP3_SP3	C[5]	Si	Si	4:4:4:4:	4:4:4:4:	4:4:4:4:	Si[4,5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C-4:C-4:C-4:	C[5](Si[4,5]Si[4]2C[5])(C[5]C[5]HH)(SiC3)2	Si(C[5]Si[4,5]C[5]Si)(CH3)3	Si(C[5]Si[4,5]C[5]Si)(CH3)3	C[5](Si[4,5]Si[4]2C[5])(C[5]C[5]HH)(SiC3)2{2|Cl<1>,3|Si<4>,2|H<1>}	Si(C[5]Si[4,5]C[5]Si)(CH3)3	Si(C[5]Si[4,5]C[5]Si)(CH3)3	108.4770	2.264	2	108.2091	1.996	12	109.1250	3.121	22	109.0147	3.042	102	110.0040	4.021	197	110.0040	4.021	197
474	880	880	0:SP3_SP3_SP3	C[5]	Si	Si	4:4:4:4:	4:4:4:4:	4:4:4:4:	Si[4,5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C-4:C-4:C-4:	C[5](Si[4,5]Si[4]2C[5])(C[5]C[5]HH)(SiC3)2	Si(C[5]Si[4,5]C[5]Si)(CH3)3	Si(C[5]Si[4,5]C[5]Si)(CH3)3	C[5](Si[4,5]Si[4]2C[5])(C[5]C[5]HH)(SiC3)2{3|Si<4>,2|H<1>,2|I<1>}	Si(C[5]Si[4,5]C[5]Si)(CH3)3	Si(C[5]Si[4,5]C[5]Si)(CH3)3	107.8322	1.320	6	108.2091	1.996	12	109.1250	3.121	22	109.0147	3.042	102	110.0040	4.021	197	110.0040	4.021	197
474	880	880	0:SP3_SP3_SP3	C[5]	Si	Si	4:4:4:4:	4:4:4:4:	4:4:4:4:	Si[4,5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C-4:C-4:C-4:	C[5](Si[4,5]Si[4]2C[5])(C[5]C[5]HH)(SiC3)2	Si(C[5]Si[4,5]C[5]Si)(CH3)3	Si(C[5]Si[4,5]C[5]Si)(CH3)3	C[5](Si[4,5]Si[4]2C[5])(C[5]C[5]HH)(SiC3)2{3|Si<4>,2|H<1>}	Si(C[5]Si[4,5]C[5]Si)(CH3)3	Si(C[5]Si[4,5]C[5]Si)(CH3)3	109.4830	1.270	2	108.2091	1.996	12	109.1250	3.121	22	109.0147	3.042	102	110.0040	4.021	197	110.0040	4.021	197
474	880	880	0:SP3_SP3_SP3	C[5]	Si	Si	4:4:4:4:	4:4:4:4:	4:4:4:4:	Si[4,5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C-4:C-4:C-4:	C[5](Si[4,5]Si[4]2C[5])(C[5]C[5]HH)(SiC3)2	Si(C[5]Si[4,5]C[5]Si)(CH3)3	Si(C[5]Si[4,5]C[5]Si)(CH3)3	C[5](Si[4,5]Si[4]2C[5])(C[5]C[5]HH)(SiC3)2{3|Si<4>,4|Cl<1>,2|H<1>}	Si(C[5]Si[4,5]C[5]Si)(CH3)3	Si(C[5]Si[4,5]C[5]Si)(CH3)3	107.7980	1.389	2	108.2091	1.996	12	109.1250	3.121	22	109.0147	3.042	102	110.0040	4.021	197	110.0040	4.021	197
474	880	880	0:SP3_SP3_SP3	C[5]	Si	Si	4:4:4:4:	4:4:4:4:	4:4:4:4:	Si[5,5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C-4:C-4:C-4:	C[5](Si[5,5]C[5,5]N[5]Si)(C[5]C[5]HH)(SiC3)2	Si(C[5]Si[5,5]C[5]Si)(CH3)3	Si(C[5]Si[5,5]C[5]Si)(CH3)3	C[5](Si[5,5]C[5,5]N[5]Si)(C[5]C[5]HH)(SiC3)2{1|Si<4>,1|C<3>,1|N<2>,3|H<1>}	Si(C[5]Si[5,5]C[5]Si)(CH3)3	Si(C[5]Si[5,5]C[5]Si)(CH3)3	112.1090	0.000	1	112.1090	0.000	1	108.1432	1.915	11	109.0147	3.042	102	110.0040	4.021	197	110.0040	4.021	197
474	880	880	0:SP3_SP3_SP3	C[5]	Si	Si	4:4:4:4:	4:4:4:4:	4:4:4:4:	Si[5,5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C-4:C-4:C-4:	C[5](Si[5,5]C[5,6]C[5]O[5])(C[5]C[5]HH)(SiC3)2	Si(C[5]Si[5,5]C[5]Si)(CH3)3	Si(C[5]Si[5,5]C[5]Si)(CH3)3	C[5](Si[5,5]C[5,6]C[5]O[5])(C[5]C[5]HH)(SiC3)2{2|Si<4>,3|C<3>,3|H<1>}	Si(C[5]Si[5,5]C[5]Si)(CH3)3	Si(C[5]Si[5,5]C[5]Si)(CH3)3	107.8415	0.071	2	107.8415	0.005	2	108.1432	1.915	11	109.0147	3.042	102	110.0040	4.021	197	110.0040	4.021	197
474	880	880	0:SP3_SP3_SP3	C[5]	Si	Si	4:4:4:4:	4:4:4:4:	4:4:4:4:	Si[5,5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C-4:C-4:C-4:	C[5](Si[5,5]C[5,6a]C[5]O[5])(C[5]C[5]HH)(SiC3)2	Si(C[5]Si[5,5]C[5]Si)(CH3)3	Si(C[5]Si[5,5]C[5]Si)(CH3)3	C[5](Si[5,5]C[5,6a]C[5]O[5])(C[5]C[5]HH)(SiC3)2{2|Si<4>,1|C<4>,2|C<3>,2|H<1>}	Si(C[5]Si[5,5]C[5]Si)(CH3)3	Si(C[5]Si[5,5]C[5]Si)(CH3)3	107.5805	0.103	2	107.5805	0.011	2	108.1432	1.915	11	109.0147	3.042	102	110.0040	4.021	197	110.0040	4.021	197
474	880	880	0:SP3_SP3_SP3	C[5]	Si	Si	4:4:4:4:	4:4:4:4:	4:4:4:4:	Si[5,5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C-4:C-4:C-4:	C[5](Si[5,5]C[5]2N[5])(C[5]C[5]HH)(SiC3)2	Si(C[5]Si[5,5]C[5]Si)(CH3)3	Si(C[5]Si[5,5]C[5]Si)(CH3)3	C[5](Si[5,5]C[5]2N[5])(C[5]C[5]HH)(SiC3)2{2|Si<4>,1|N<2>,2|C<3>,2|H<1>}	Si(C[5]Si[5,5]C[5]Si)(CH3)3	Si(C[5]Si[5,5]C[5]Si)(CH3)3	108.2725	0.190	2	108.2725	0.036	2	108.1432	1.915	11	109.0147	3.042	102	110.0040	4.021	197	110.0040	4.021	197
474	880	880	0:SP3_SP3_SP3	C[5]	Si	Si	4:4:4:4:	4:4:4:4:	4:4:4:4:	Si[5,5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C-4:C-4:C-4:	C[5](Si[5,5]C[5]S[5]2)(C[5]C[5]HH)(SiC3)2	Si(C[5]Si[5,5]C[5]Si)(CH3)3	Si(C[5]Si[5,5]C[5]Si)(CH3)3	C[5](Si[5,5]C[5]S[5]2)(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|H<1>,2|S<2>}	Si(C[5]Si[5,5]C[5]Si)(CH3)3	Si(C[5]Si[5,5]C[5]Si)(CH3)3	107.5192	0.567	4	107.5192	0.321	4	108.1432	1.915	11	109.0147	3.042	102	110.0040	4.021	197	110.0040	4.021	197
474	880	880	0:SP3_SP3_SP3	C[5]	Si	Si	4:4:4:4:	4:4:4:4:	4:4:4:4:	Si[5,6]-4:C[5]-4:Si-4:Si-4:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C-4:C-4:C-4:	C[5](Si[5,6]C[5,6,6]C[5]O[6])(C[5]C[5]HH)(SiC3)2	Si(C[5]Si[5,6]C[5]Si)(CH3)3	Si(C[5]Si[5,6]C[5]Si)(CH3)3	C[5](Si[5,6]C[5,6,6]C[5]O[6])(C[5]C[5]HH)(SiC3)2{2|Si<4>,1|C<4>,2|C<3>,3|H<1>}	Si(C[5]Si[5,6]C[5]Si)(CH3)3	Si(C[5]Si[5,6]C[5]Si)(CH3)3	107.0700	0.768	2	107.0700	0.590	2	107.5930	0.324	10	109.0147	3.042	102	110.0040	4.021	197	110.0040	4.021	197
474	880	880	0:SP3_SP3_SP3	C[5]	Si	Si	4:4:4:4:	4:4:4:4:	4:4:4:4:	Si[5,6]-4:C[5]-4:Si-4:Si-4:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C-4:C-4:C-4:	C[5](Si[5,6]C[5]C[6]2)(C[5]C[5]HH)(SiC3)2	Si(C[5]Si[5,6]C[5]Si)(CH3)3	Si(C[5]Si[5,6]C[5]Si)(CH3)3	C[5](Si[5,6]C[5]C[6]2)(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|C<3>,4|H<1>}	Si(C[5]Si[5,6]C[5]Si)(CH3)3	Si(C[5]Si[5,6]C[5]Si)(CH3)3	107.7825	0.712	4	107.7825	0.507	4	107.5930	0.324	10	109.0147	3.042	102	110.0040	4.021	197	110.0040	4.021	197
474	880	880	0:SP3_SP3_SP3	C[5]	Si	Si	4:4:4:4:	4:4:4:4:	4:4:4:4:	Si[5,6]-4:C[5]-4:Si-4:Si-4:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C-4:C-4:C-4:	C[5](Si[5,6]C[5]N[6]O[6])(C[5]C[5]HH)(SiC3)2	Si(C[5]Si[5,6]C[5]Si)(CH3)3	Si(C[5]Si[5,6]C[5]Si)(CH3)3	C[5](Si[5,6]C[5]N[6]O[6])(C[5]C[5]HH)(SiC3)2{2|Si<4>,1|C<3>,1|N<2>,2|H<1>}	Si(C[5]Si[5,6]C[5]Si)(CH3)3	Si(C[5]Si[5,6]C[5]Si)(CH3)3	107.6660	0.008	2	107.6660	0.000	2	107.5930	0.324	10	109.0147	3.042	102	110.0040	4.021	197	110.0040	4.021	197
474	880	880	0:SP3_SP3_SP3	C[5]	Si	Si	4:4:4:4:	4:4:4:4:	4:4:4:4:	Si[5,6]-4:C[5]-4:Si-4:Si-4:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C-4:C-4:C-4:	C[5](Si[5,6]C[6,6a]C[5]O[6])(C[5]C[5]HH)(SiC3)2	Si(C[5]Si[5,6]C[5]Si)(CH3)3	Si(C[5]Si[5,6]C[5]Si)(CH3)3	C[5](Si[5,6]C[6,6a]C[5]O[6])(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|H<1>,3|C<3>}	Si(C[5]Si[5,6]C[5]Si)(CH3)3	Si(C[5]Si[5,6]C[5]Si)(CH3)3	107.6640	0.310	2	107.6640	0.096	2	107.5930	0.324	10	109.0147	3.042	102	110.0040	4.021	197	110.0040	4.021	197
474	880	880	0:SP3_SP3_SP3	C[5]	Si	Si	4:4:4:4:	4:4:4:4:	4:4:4:4:	Si[5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C-4:C-4:C-4:	C[5](Si[5]C[3]C[5]O)(C[5]C[5]HH)(SiC3)2	Si(C[5]Si[5]C[5]Si)(CH3)3	Si(C[5]Si[5]C[5]Si)(CH3)3	C[5](Si[5]C[3]C[5]O)(C[5]C[5]HH)(SiC3)2{1|Si<4>,1|C<3>,1|C<4>,1|H<1>}	Si(C[5]Si[5]C[5]Si)(CH3)3	Si(C[5]Si[5]C[5]Si)(CH3)3	114.9020	0.000	1	114.9020	0.000	1	108.5370	3.630	21	109.0147	3.042	102	110.0040	4.021	197	110.0040	4.021	197
474	880	880	0:SP3_SP3_SP3	C[5]	Si	Si	4:4:4:4:	4:4:4:4:	4:4:4:4:	Si[5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C-4:C-4:C-4:	C[5](Si[5]C[5]CN)(C[5]C[5]HH)(SiC3)2	Si(C[5]Si[5]C[5]Si)(CH3)3	Si(C[5]Si[5]C[5]Si)(CH3)3	C[5](Si[5]C[5]CN)(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|H<1>}	Si(C[5]Si[5]C[5]Si)(CH3)3	Si(C[5]Si[5]C[5]Si)(CH3)3	108.1905	1.037	2	108.1905	1.076	2	108.5370	3.630	21	109.0147	3.042	102	110.0040	4.021	197	110.0040	4.021	197
474	880	880	0:SP3_SP3_SP3	C[5]	Si	Si	4:4:4:4:	4:4:4:4:	4:4:4:4:	Si[5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C-4:C-4:C-4:	C[5](Si[5]C[5]ClSi)(C[5]C[5]HH)(SiC3)2	Si(C[5]Si[5]C[5]Si)(CH3)3	Si(C[5]Si[5]C[5]Si)(CH3)3	C[5](Si[5]C[5]ClSi)(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|H<1>}	Si(C[5]Si[5]C[5]Si)(CH3)3	Si(C[5]Si[5]C[5]Si)(CH3)3	108.0101	1.591	10	108.0101	2.530	10	108.5370	3.630	21	109.0147	3.042	102	110.0040	4.021	197	110.0040	4.021	197
474	880	880	0:SP3_SP3_SP3	C[5]	Si	Si	4:4:4:4:	4:4:4:4:	4:4:4:4:	Si[5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C-4:C-4:C-4:	C[5](Si[5]C[5]HN)(C[5]C[5]HH)(SiC3)2	Si(C[5]Si[5]C[5]Si)(CH3)3	Si(C[5]Si[5]C[5]Si)(CH3)3	C[5](Si[5]C[5]HN)(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|H<1>}	Si(C[5]Si[5]C[5]Si)(CH3)3	Si(C[5]Si[5]C[5]Si)(CH3)3	108.9900	0.827	2	108.9900	0.684	2	108.5370	3.630	21	109.0147	3.042	102	110.0040	4.021	197	110.0040	4.021	197
474	880	880	0:SP3_SP3_SP3	C[5]	Si	Si	4:4:4:4:	4:4:4:4:	4:4:4:4:	Si[5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C-4:C-4:C-4:	C[5](Si[5]C[5]OO)(C[5]C[5]HH)(SiC3)2	Si(C[5]Si[5]C[5]Si)(CH3)3	Si(C[5]Si[5]C[5]Si)(CH3)3	C[5](Si[5]C[5]OO)(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|H<1>}	Si(C[5]Si[5]C[5]Si)(CH3)3	Si(C[5]Si[5]C[5]Si)(CH3)3	108.3490	0.813	2	108.3490	0.661	2	108.5370	3.630	21	109.0147	3.042	102	110.0040	4.021	197	110.0040	4.021	197
474	880	880	0:SP3_SP3_SP3	C[5]	Si	Si	4:4:4:4:	4:4:4:4:	4:4:4:4:	Si[5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C-4:C-4:C-4:	C[5](Si[5]C[5]SiH)(C[5]C[5]HH)(SiC3)2	Si(C[5]Si[5]C[5]Si)(CH3)3	Si(C[5]Si[5]C[5]Si)(CH3)3	C[5](Si[5]C[5]SiH)(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|H<1>}	Si(C[5]Si[5]C[5]Si)(CH3)3	Si(C[5]Si[5]C[5]Si)(CH3)3	108.9030	1.184	2	108.9030	1.401	2	108.5370	3.630	21	109.0147	3.042	102	110.0040	4.021	197	110.0040	4.021	197
474	880	880	0:SP3_SP3_SP3	C[5]	Si	Si	4:4:4:4:	4:4:4:4:	4:4:4:4:	Si[5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C-4:C-4:C-4:	C[5](Si[5]C[5]SiO)(C[5]C[5]HH)(SiC3)2	Si(C[5]Si[5]C[5]Si)(CH3)3	Si(C[5]Si[5]C[5]Si)(CH3)3	C[5](Si[5]C[5]SiO)(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|H<1>}	Si(C[5]Si[5]C[5]Si)(CH3)3	Si(C[5]Si[5]C[5]Si)(CH3)3	107.7050	0.584	2	107.7050	0.341	2	108.5370	3.630	21	109.0147	3.042	102	110.0040	4.021	197	110.0040	4.021	197
474	880	880	0:SP3_SP3_SP3	C[5]	Si	Si	5:4:4:4:	4:4:4:4:	4:4:4:4:	Ga[5]-5:Si[5]-4:Si-4:Si-4:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C-4:C-4:C-4:	C[5](Ga[5]N[5,6]C[5]2Fe)(Si[5]C[5,6]CC)(SiC3)2	Si(C[5]Ga[5]Si[5]Si)(CH3)3	Si(C[5]Ga[5]Si[5]Si)(CH3)3	C[5](Ga[5]N[5,6]C[5]2Fe)(Si[5]C[5,6]CC)(SiC3)2{2|C<3>,4|C<4>}	Si(C[5]Ga[5]Si[5]Si)(CH3)3	Si(C[5]Ga[5]Si[5]Si)(CH3)3	113.4830	1.383	2	113.4830	1.913	2	113.4830	1.913	2	113.4830	1.913	2	110.0040	4.021	197	110.0040	4.021	197
474	880	885	0:SP3_SP-NON_SP3	C[5,5,6]	Si	Ga[5,6]	4:4:3:4:	4:4:4:4:	4:2:1:1:	C[5,5]-4:Ga[5,6]-4:Ga[5,6]-3:Si-4:	C[5,5,6]-4:C-4:C-4:C-4:	C[5,5,6]-4:I[5,6]-2:I-1:I-1:	C[5,5,6](C[5,5]Ga[5,5,6]CC)(Ga[5,6]I[5,6]II)(Ga[5,6]I[5,6]I)(SiC3)	Si(C[5,5,6]Ga[5,6]2C[5,5])(CH3)3	Ga[5,6](C[5,5,6]Ga[5,6]C[5,5]Si)(I[5,6]Ga[5,5,6])(I)2	C[5,5,6](C[5,5]Ga[5,5,6]CC)(Ga[5,6]I[5,6]II)(Ga[5,6]I[5,6]I)(SiC3){1|I<1>}	Si(C[5,5,6]Ga[5,6]2C[5,5])(CH3)3	Ga[5,6](C[5,5,6]Ga[5,6]C[5,5]Si)(I[5,6]Ga[5,5,6])(I)2{1|C<2>,1|C<3>,1|I<2>,2|I<1>}	108.0820	0.000	2	108.0820	0.000	2	108.0820	0.000	2	108.0820	0.000	2	108.0820	0.000	2	110.0550	7.148	6
474	880	885	0:SP3_SP-NON_SP3	C[5]	Si	Ga[5]	4:4:4:4:	4:4:4:4:	3:4:1:1:	Ga[5]-4:Si[5]-4:Si-4:Si-4:	C[5]-4:C-4:C-4:C-4:	N[5,6]-3:C[5]-4:Cl-1:Cl-1:	C[5](Ga[5]N[5,6]Cl2)(Si[5]C[5,6]CC)(SiC3)2	Si(C[5]Ga[5]Si[5]Si)(CH3)3	Ga[5](N[5,6]C[5,6]C[6])(C[5]Si[5]Si2)(Cl)2	C[5](Ga[5]N[5,6]Cl2)(Si[5]C[5,6]CC)(SiC3)2{2|C<3>}	Si(C[5]Ga[5]Si[5]Si)(CH3)3	Ga[5](N[5,6]C[5,6]C[6])(C[5]Si[5]Si2)(Cl)2{1|H<1>,2|C<3>,2|C<4>}	110.6490	3.840	2	110.6490	14.742	2	110.6490	14.742	2	110.6490	14.742	2	111.0415	8.020	4	110.0550	7.148	6
474	880	885	0:SP3_SP-NON_SP3	C[5]	Si	Ga[5]	4:4:4:4:	4:4:4:4:	3:4:4:4:	Ga[5]-4:Si[5]-4:Si-4:Si-4:	C[5]-4:C-4:C-4:C-4:	N[5,6]-3:C[5]-4:C[5]-4:C[5]-4:	C[5](Ga[5]N[5,6]C[5]2)(Si[5]C[5,6]CC)(SiC3)2	Si(C[5]Ga[5]Si[5]Si)(CH3)3	Ga[5](N[5,6]C[5,6]C[6])(C[5]Si[5]Si2)(C[5]C[5]2H)2	C[5](Ga[5]N[5,6]C[5]2)(Si[5]C[5,6]CC)(SiC3)2{2|H<1>,6|C<3>}	Si(C[5]Ga[5]Si[5]Si)(CH3)3	Ga[5](N[5,6]C[5,6]C[6])(C[5]Si[5]Si2)(C[5]C[5]2H)2{2|C<4>,5|H<1>,6|C<3>}	111.4340	2.950	2	111.4340	8.703	2	111.4340	8.703	2	111.4340	8.703	2	111.0415	8.020	4	110.0550	7.148	6
474	880	893	0:SP3_SP2_SP3	C[5]	Si	O	4:4:4:2:	4:4:4:4:	4:3:	C[5]-4:C[5]-4:Si-4:O-2:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C-3:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SiC3)(OC)	Si(C[5]C[5]2O)(CH3)3	O(C[5]C[5]2Si)(CC[6a]O)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SiC3)(OC){2|C<3>,4|H<1>}	Si(C[5]C[5]2O)(CH3)3	O(C[5]C[5]2Si)(CC[6a]O)	111.9570	0.000	1	111.9570	0.000	1	111.9570	0.000	1	111.9570	0.000	1	111.9570	0.000	1	111.9570	0.000	1
474	880	893	0:SP3_SP3_SP3	C[5]	Si	O	4:3:4:2:	4:4:4:4:	4:1:	C[5]-4:C[5]-3:Si-4:O-2:	C[5]-4:C-4:C-4:C-4:	C[5]-4:H-1:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(SiC3)(OH)	Si(C[5]C[5]2O)(CCHH)3	O(C[5]C[5]2Si)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(SiC3)(OH){2|C<3>,3|H<1>}	Si(C[5]C[5]2O)(CCHH)3	O(C[5]C[5]2Si)(H)	103.9510	0.000	1	103.9510	0.000	1	103.9510	0.000	1	103.9510	0.000	1	103.9510	0.000	1	103.9510	0.000	1
474	880	930	0:SP3_SP2_SP3	C[5]	Si	C	3:3:4:3:	4:4:4:4:	4:3:1:	C[5]-3:C[5]-3:Si-4:C-3:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C-3:H-1:	C[5](C[5]C[5]H)(C[5]C[5]O)(SiC3)(CCH)	Si(C[5]C[5]2C)(CH3)3	C(C[5]C[5]2Si)(CCH)(H)	C[5](C[5]C[5]H)(C[5]C[5]O)(SiC3)(CCH){1|C<3>,2|H<1>}	Si(C[5]C[5]2C)(CH3)3	C(C[5]C[5]2Si)(CCH)(H)	112.6460	0.000	1	112.6460	0.000	1	112.6460	0.000	1	112.6460	0.000	1	112.6460	0.000	1	112.6460	0.000	1
474	880	937	0:SP3_SP1_SP3	C[5]	Si	Si[5]	4:2:4:4:	4:4:4:4:	4:4:	C[5]-4:Si[5]-2:Si-4:Si-4:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(Si[5]C[5])(SiC3)2	Si(C[5]Si[5]C[5]Si)(CH3)3	Si[5](C[5]C[5]Si2)2	C[5](C[5]C[5]HH)(Si[5]C[5])(SiC3)2{2|Si<4>,2|H<1>}	Si(C[5]Si[5]C[5]Si)(CH3)3	Si[5](C[5]C[5]Si2)2{4|H<1>}	109.4885	6.528	4	109.4885	42.609	4	109.4885	42.609	4	109.4885	42.609	4	109.4885	42.609	4	109.4885	42.609	4
474	880	939	0:SP3_SP2_SP3	C[5]	Si	Ge[5]	3:4:4:4:	4:4:4:4:	4:4:2:	Ge[5]-3:C[5]-4:Si-4:Si-4:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C[5]-4:Ge-2:	C[5](Ge[5]C[5]Ge)(C[5]C[5]HH)(SiC3)2	Si(C[5]Ge[5]C[5]Si)(CH3)3	Ge[5](C[5]C[5]Si2)2(GeGe[5])	C[5](Ge[5]C[5]Ge)(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|H<1>}	Si(C[5]Ge[5]C[5]Si)(CH3)3	Ge[5](C[5]C[5]Si2)2(GeGe[5]){4|H<1>}	111.8771	4.362	8	111.8771	19.026	8	111.8771	19.026	8	111.8305	16.229	12	111.8305	16.229	12	111.8305	16.229	12
474	880	939	0:SP3_SP2_SP3	C[5]	Si	Ge[5]	3:4:4:4:	4:4:4:4:	4:4:2:	Ge[5]-3:C[5]-4:Si-4:Si-4:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C[5]-4:Si-2:	C[5](Ge[5]C[5]Si)(C[5]C[5]HH)(SiC3)2	Si(C[5]Ge[5]C[5]Si)(CH3)3	Ge[5](C[5]C[5]Si2)2(SiGe[5])	C[5](Ge[5]C[5]Si)(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|H<1>}	Si(C[5]Ge[5]C[5]Si)(CH3)3	Ge[5](C[5]C[5]Si2)2(SiGe[5]){4|H<1>}	111.7373	3.885	4	111.7373	15.096	4	111.7373	15.096	4	111.8305	16.229	12	111.8305	16.229	12	111.8305	16.229	12
474	880	951	0:SP3_SP-NON_SP3	C[5,5]	Si	H	3:3:4:1:	4:4:4:4:	4:	P[3x5,6]-3:P[3x5,6]-3:Si-4:H-1:	C[5,5]-4:C-4:C-4:C-4:	C[5,5]-4:	C[5,5](P[3x5,6]C[4,5,5,6]P[4,5,5,6])2(SiC3)(H)	Si(C[5,5]P[3x5,6]2H)(CH3)3	H(C[5,5]P[3x5,6]2Si)	C[5,5](P[3x5,6]C[4,5,5,6]P[4,5,5,6])2(SiC3)(H){2|P<3>,4|C<4>}	Si(C[5,5]P[3x5,6]2H)(CH3)3	H(C[5,5]P[3x5,6]2Si)	100.5810	0.000	1	100.5810	0.000	1	100.5810	0.000	1	100.5810	0.000	1	105.8533	8.577	6	107.6311	6.423	127
474	880	951	0:SP3_SP-NON_SP3	C[5,5]	Si	H	4:4:4:1:	4:3:4:4:	4:	C[5,5,6]-4:C[5,5,6]-4:Si-4:H-1:	C[5,5]-4:C[6a]-3:C-4:C-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(SiC[6a]CC)(H)	Si(C[5,5]C[5,5,6]2H)(C[6a]C[6a]2)(CH3)2	H(C[5,5]C[5,5,6]2Si)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(SiC[6a]CC)(H){1|C<3>,1|C<4>,4|H<1>}	Si(C[5,5]C[5,5,6]2H)(C[6a]C[6a]2)(CH3)2	H(C[5,5]C[5,5,6]2Si)	108.5230	0.000	1	108.5230	0.000	1	107.6320	1.588	2	107.6320	1.588	2	105.8533	8.577	6	107.6311	6.423	127
474	880	951	0:SP3_SP-NON_SP3	C[5,5]	Si	H	4:4:4:1:	4:3:4:4:	4:	C[5,5,6]-4:C[5,5,6]-4:Si-4:H-1:	C[5,5]-4:C[6a]-3:C-4:C-4:	C[5,5]-4:	C[5,5](C[5,5,6]N[5,5a,6]C[5,6]H)2(SiC[6a]CC)(H)	Si(C[5,5]C[5,5,6]2H)(C[6a]C[6a]2)(CH3)2	H(C[5,5]C[5,5,6]2Si)	C[5,5](C[5,5,6]N[5,5a,6]C[5,6]H)2(SiC[6a]CC)(H){1|O<2>,2|C<3>,3|H<1>}	Si(C[5,5]C[5,5,6]2H)(C[6a]C[6a]2)(CH3)2	H(C[5,5]C[5,5,6]2Si)	106.7410	0.000	1	106.7410	0.000	1	107.6320	1.588	2	107.6320	1.588	2	105.8533	8.577	6	107.6311	6.423	127
474	880	951	0:SP3_SP-NON_SP3	C[5,5]	Si	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,5,6]-4:Si-4:H-1:	C[5,5]-4:C-4:C-4:C-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(SiC3)(H)	Si(C[5,5]C[5,5,6]2H)(CH3)3	H(C[5,5]C[5,5,6]2Si)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(SiC3)(H){2|C<3>,4|H<1>}	Si(C[5,5]C[5,5,6]2H)(CH3)3	H(C[5,5]C[5,5,6]2Si)	108.0420	0.000	1	107.3620	0.925	2	106.4250	3.096	3	106.4250	3.096	3	105.8533	8.577	6	107.6311	6.423	127
474	880	951	0:SP3_SP-NON_SP3	C[5,5]	Si	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,5,6]-4:Si-4:H-1:	C[5,5]-4:C-4:C-4:C-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(SiC3)(H)	Si(C[5,5]C[5,5,6]2H)(CH3)3	H(C[5,5]C[5,5,6]2Si)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(SiC3)(H){2|C<3>,6|H<1>}	Si(C[5,5]C[5,5,6]2H)(CH3)3	H(C[5,5]C[5,5,6]2Si)	106.6820	0.000	1	107.3620	0.925	2	106.4250	3.096	3	106.4250	3.096	3	105.8533	8.577	6	107.6311	6.423	127
474	880	951	0:SP3_SP-NON_SP3	C[5,5]	Si	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,5,6]-4:Si-4:H-1:	C[5,5]-4:C-4:C-4:C-4:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(SiC3)(H)	Si(C[5,5]C[5,5,6]2H)(CH3)3	H(C[5,5]C[5,5,6]2Si)	C[5,5](C[5,5,6]C[5,6]2H)2(SiC3)(H){1|Si<4>,2|C<3>,3|H<1>}	Si(C[5,5]C[5,5,6]2H)(CH3)3	H(C[5,5]C[5,5,6]2Si)	104.5510	0.000	1	104.5510	0.000	1	106.4250	3.096	3	106.4250	3.096	3	105.8533	8.577	6	107.6311	6.423	127
474	880	951	0:SP3_SP-NON_SP3	C[5,6]	Si	H	4:3:4:1:	4:4:4:4:	4:	C[5,3x6]-4:P[3,5,6]-3:Si-4:H-1:	C[5,6]-4:C-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,3x6]C[6,6,6a]P[5,6,6]C[6])(P[3,5,6]C[3,6,6]P[3,5,6])(SiC3)(H)	Si(C[5,6]C[5,3x6]P[3,5,6]H)(CH3)3	H(C[5,6]C[5,3x6]P[3,5,6]Si)	C[5,6](C[5,3x6]C[6,6,6a]P[5,6,6]C[6])(P[3,5,6]C[3,6,6]P[3,5,6])(SiC3)(H){1|Au<2>,1|Si<4>,1|H<1>,4|C<3>}	Si(C[5,6]C[5,3x6]P[3,5,6]H)(CH3)3	H(C[5,6]C[5,3x6]P[3,5,6]Si)	106.4290	0.000	1	105.8127	0.511	4	105.8127	0.511	4	105.8127	0.511	4	105.8030	3.365	11	107.6311	6.423	127
474	880	951	0:SP3_SP-NON_SP3	C[5,6]	Si	H	4:3:4:1:	4:4:4:4:	4:	C[5,3x6]-4:P[3,5,6]-3:Si-4:H-1:	C[5,6]-4:C-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,3x6]C[6,6,6a]P[5,6,6]C[6])(P[3,5,6]C[3,6,6]P[3,5,6])(SiC3)(H)	Si(C[5,6]C[5,3x6]P[3,5,6]H)(CH3)3	H(C[5,6]C[5,3x6]P[3,5,6]Si)	C[5,6](C[5,3x6]C[6,6,6a]P[5,6,6]C[6])(P[3,5,6]C[3,6,6]P[3,5,6])(SiC3)(H){1|Cu<3>,1|Si<4>,1|H<1>,4|C<3>}	Si(C[5,6]C[5,3x6]P[3,5,6]H)(CH3)3	H(C[5,6]C[5,3x6]P[3,5,6]Si)	105.9845	0.415	2	105.8127	0.511	4	105.8127	0.511	4	105.8127	0.511	4	105.8030	3.365	11	107.6311	6.423	127
474	880	951	0:SP3_SP-NON_SP3	C[5,6]	Si	H	4:3:4:1:	4:4:4:4:	4:	C[5,3x6]-4:P[3,5,6]-3:Si-4:H-1:	C[5,6]-4:C-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,3x6]C[6,6,6a]P[5,6,6]C[6])(P[3,5,6]C[3,6,6]P[3,5,6])(SiC3)(H)	Si(C[5,6]C[5,3x6]P[3,5,6]H)(CH3)3	H(C[5,6]C[5,3x6]P[3,5,6]Si)	C[5,6](C[5,3x6]C[6,6,6a]P[5,6,6]C[6])(P[3,5,6]C[3,6,6]P[3,5,6])(SiC3)(H){1|Si<4>,1|H<1>,4|C<3>}	Si(C[5,6]C[5,3x6]P[3,5,6]H)(CH3)3	H(C[5,6]C[5,3x6]P[3,5,6]Si)	104.8530	0.000	1	105.8127	0.511	4	105.8127	0.511	4	105.8127	0.511	4	105.8030	3.365	11	107.6311	6.423	127
474	880	951	0:SP3_SP-NON_SP3	C[5,6]	Si	H	4:4:4:1:	4:4:4:2:	4:	C[5,5,6]-4:C[5,6]-4:Si-4:H-1:	C[5,6]-4:C-4:C-4:O-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(SiCCO)(H)	Si(C[5,6]C[5,5,6]C[5,6]H)(CH3)2(OSi)	H(C[5,6]C[5,5,6]C[5,6]Si)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(SiCCO)(H){1|C<3>,1|C<4>,4|H<1>}	Si(C[5,6]C[5,5,6]C[5,6]H)(CH3)2(OSi)	H(C[5,6]C[5,5,6]C[5,6]Si)	108.6245	0.026	2	108.6245	0.001	2	108.6245	0.001	2	108.6245	0.001	2	105.8030	3.365	11	107.6311	6.423	127
474	880	951	0:SP3_SP-NON_SP3	C[5,6]	Si	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,6,6]-4:C[5,6]-4:Si-4:H-1:	C[5,6]-4:C-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,6,6]C[5,5]C[6])(C[5,6]C[5,5,6]CH)(SiC3)(H)	Si(C[5,6]C[5,5,6,6]C[5,6]H)(CH3)3	H(C[5,6]C[5,5,6,6]C[5,6]Si)	C[5,6](C[5,5,6,6]C[5,6,6]C[5,5]C[6])(C[5,6]C[5,5,6]CH)(SiC3)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	Si(C[5,6]C[5,5,6,6]C[5,6]H)(CH3)3	H(C[5,6]C[5,5,6,6]C[5,6]Si)	104.5460	0.000	1	104.5460	0.000	1	104.5460	0.000	1	104.6666	2.434	5	105.8030	3.365	11	107.6311	6.423	127
474	880	951	0:SP3_SP-NON_SP3	C[5,6]	Si	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:Si-4:H-1:	C[5,6]-4:C-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CH)(SiC3)(H)	Si(C[5,6]C[5,5,6]C[5,6]H)(CH3)3	H(C[5,6]C[5,5,6]C[5,6]Si)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CH)(SiC3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	Si(C[5,6]C[5,5,6]C[5,6]H)(CH3)3	H(C[5,6]C[5,5,6]C[5,6]Si)	103.9060	0.000	1	103.9060	0.000	1	104.6968	3.239	4	104.6666	2.434	5	105.8030	3.365	11	107.6311	6.423	127
474	880	951	0:SP3_SP-NON_SP3	C[5,6]	Si	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:Si-4:H-1:	C[5,6]-4:C-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(SiC3)(H)	Si(C[5,6]C[5,5,6]C[5,6]H)(CH3)3	H(C[5,6]C[5,5,6]C[5,6]Si)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(SiC3)(H){1|C<4>,5|H<1>}	Si(C[5,6]C[5,5,6]C[5,6]H)(CH3)3	H(C[5,6]C[5,5,6]C[5,6]Si)	102.5920	0.000	1	102.5920	0.000	1	104.6968	3.239	4	104.6666	2.434	5	105.8030	3.365	11	107.6311	6.423	127
474	880	951	0:SP3_SP-NON_SP3	C[5,6]	Si	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:Si-4:H-1:	C[5,6]-4:C-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]C[6a]H)(SiC3)(H)	Si(C[5,6]C[5,5,6]C[5,6]H)(CH3)3	H(C[5,6]C[5,5,6]C[5,6]Si)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]C[6a]H)(SiC3)(H){1|H<1>,4|C<3>}	Si(C[5,6]C[5,5,6]C[5,6]H)(CH3)3	H(C[5,6]C[5,5,6]C[5,6]Si)	106.1445	0.685	2	106.1445	0.469	2	104.6968	3.239	4	104.6666	2.434	5	105.8030	3.365	11	107.6311	6.423	127
474	880	951	0:SP3_SP-NON_SP3	C[5]	Si	H	3:3:4:1:	4:3:4:4:	4:	C[5,6a]-3:C[5,6a]-3:Si-4:H-1:	C[5]-4:N-3:C-4:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(SiCCN)(H)	Si(C[5]C[5,6a]2H)(NC[6]H)(CH3)2	H(C[5]C[5,6a]2Si)	C[5](C[5,6a]C[5,6a]C[6a])2(SiCCN)(H){2|H<1>,4|C<3>}	Si(C[5]C[5,6a]2H)(NC[6]H)(CH3)2	H(C[5]C[5,6a]2Si)	110.6050	0.000	1	110.6050	0.000	1	110.6050	0.000	1	110.2695	0.225	2	107.9108	6.132	110	107.6311	6.423	127
474	880	951	0:SP3_SP-NON_SP3	C[5]	Si	H	3:3:4:1:	4:3:4:4:	4:	C[5]-3:C[5]-3:Si-4:H-1:	C[5]-4:N-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]C)2(SiCCN)(H)	Si(C[5]C[5]2H)(NC[6a]H)(CH3)2	H(C[5]C[5]2Si)	C[5](C[5]C[5]C)2(SiCCN)(H){2|C<4>}	Si(C[5]C[5]2H)(NC[6a]H)(CH3)2	H(C[5]C[5]2Si)	109.9340	0.000	1	109.9340	0.000	1	109.9340	0.000	1	110.2695	0.225	2	107.9108	6.132	110	107.6311	6.423	127
474	880	951	0:SP3_SP-NON_SP3	C[5]	Si	H	3:3:4:1:	4:4:3:4:	4:	C[5,6a]-3:C[5,6a]-3:Si-4:H-1:	C[5]-4:C[5]-4:C[6a]-3:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(SiC[6a]C[5]C)(H)	Si(C[5]C[5,6a]2H)2(C[6a]C[6a]2)(CH3)	H(C[5]C[5,6a]2Si)	C[5](C[5,6a]C[5,6a]C[6a])2(SiC[6a]C[5]C)(H){2|H<1>,4|C<3>}	Si(C[5]C[5,6a]2H)2(C[6a]C[6a]2)(CH3)	H(C[5]C[5,6a]2Si)	111.5535	0.477	2	111.5535	0.228	2	111.5535	0.228	2	111.5535	0.228	2	107.9108	6.132	110	107.6311	6.423	127
474	880	951	0:SP3_SP-NON_SP3	C[5]	Si	H	3:3:4:1:	4:4:4:1:	4:	C[5,6a]-3:C[5,6a]-3:Si-4:H-1:	C[5]-4:C-4:C-4:Cl-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(SiClCC)(H)	Si(C[5]C[5,6a]2H)(CH3)2(Cl)	H(C[5]C[5,6a]2Si)	C[5](C[5,6a]C[5,6a]C[6a])2(SiClCC)(H){2|H<1>,4|C<3>}	Si(C[5]C[5,6a]2H)(CH3)2(Cl)	H(C[5]C[5,6a]2Si)	111.5905	0.120	2	111.5905	0.014	2	111.5905	0.014	2	111.5905	0.014	2	107.9108	6.132	110	107.6311	6.423	127
474	880	951	0:SP3_SP-NON_SP3	C[5]	Si	H	3:3:4:1:	4:4:4:4:	4:	B[5,5]-3:C[5]-3:Si-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:	C[5](B[5,5]C[5,5]N[5])(C[5]C[6a]C[5])(SiC3)(H)	Si(C[5]B[5,5]C[5]H)(CH3)3	H(C[5]B[5,5]C[5]Si)	C[5](B[5,5]C[5,5]N[5])(C[5]C[6a]C[5])(SiC3)(H){1|Si<4>,1|B<3>,5|C<3>}	Si(C[5]B[5,5]C[5]H)(CH3)3	H(C[5]B[5,5]C[5]Si)	104.2510	0.000	1	104.2510	0.000	1	104.2510	0.000	1	109.0013	5.071	25	107.9108	6.132	110	107.6311	6.423	127
474	880	951	0:SP3_SP-NON_SP3	C[5]	Si	H	3:3:4:1:	4:4:4:4:	4:	C[5,6]-3:C[5]-3:Si-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]H)(SiC3)(H)	Si(C[5]C[5,6]C[5]H)(CH3)3	H(C[5]C[5,6]C[5]Si)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]H)(SiC3)(H){2|H<1>,3|C<4>}	Si(C[5]C[5,6]C[5]H)(CH3)3	H(C[5]C[5,6]C[5]Si)	105.6780	0.000	1	105.6780	0.000	1	105.6780	0.000	1	109.0013	5.071	25	107.9108	6.132	110	107.6311	6.423	127
474	880	951	0:SP3_SP-NON_SP3	C[5]	Si	H	3:3:4:1:	4:4:4:4:	4:	C[5,6a]-3:C[5,5]-3:Si-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(SiC3)(H)	Si(C[5]C[5,6a]C[5,5]H)(CCCH)3	H(C[5]C[5,6a]C[5,5]Si)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(SiC3)(H){3|H<1>,4|C<3>}	Si(C[5]C[5,6a]C[5,5]H)(CCCH)3	H(C[5]C[5,6a]C[5,5]Si)	109.2860	0.000	1	109.2860	0.000	1	109.2860	0.000	1	109.0013	5.071	25	107.9108	6.132	110	107.6311	6.423	127
474	880	951	0:SP3_SP-NON_SP3	C[5]	Si	H	3:3:4:1:	4:4:4:4:	4:	C[5,6a]-3:C[5,6a]-3:Si-4:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(SiC[5]CC)(H)	Si(C[5]C[5,6a]2H)2(CCHH)2	H(C[5]C[5,6a]2Si)	C[5](C[5,6a]C[5,6a]C[6a])2(SiC[5]CC)(H){2|H<1>,4|C<3>}	Si(C[5]C[5,6a]2H)2(CCHH)2	H(C[5]C[5,6a]2Si)	107.9540	0.000	1	107.9540	0.000	1	109.2450	3.481	6	109.0013	5.071	25	107.9108	6.132	110	107.6311	6.423	127
474	880	951	0:SP3_SP-NON_SP3	C[5]	Si	H	3:3:4:1:	4:4:4:4:	4:	C[5,6a]-3:C[5,6a]-3:Si-4:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(SiC[5]CC)(H)	Si(C[5]C[5,6a]2H)2(CH3)2	H(C[5]C[5,6a]2Si)	C[5](C[5,6a]C[5,6a]C[6a])2(SiC[5]CC)(H){2|H<1>,4|C<3>}	Si(C[5]C[5,6a]2H)2(CH3)2	H(C[5]C[5,6a]2Si)	110.2493	1.193	4	110.2493	1.424	4	109.2450	3.481	6	109.0013	5.071	25	107.9108	6.132	110	107.6311	6.423	127
474	880	951	0:SP3_SP-NON_SP3	C[5]	Si	H	3:3:4:1:	4:4:4:4:	4:	C[5,6a]-3:C[5,6a]-3:Si-4:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(SiC[5]CC)(H)	Si(C[5]C[5,6a]C[5]H)(C[5]C[5,6a]2H)(CH3)2	H(C[5]C[5,6a]2Si)	C[5](C[5,6a]C[5,6a]C[6a])2(SiC[5]CC)(H){2|H<1>,4|C<3>}	Si(C[5]C[5,6a]C[5]H)(C[5]C[5,6a]2H)(CH3)2	H(C[5]C[5,6a]2Si)	106.5190	0.000	1	106.5190	0.000	1	109.2450	3.481	6	109.0013	5.071	25	107.9108	6.132	110	107.6311	6.423	127
474	880	951	0:SP3_SP-NON_SP3	C[5]	Si	H	3:3:4:1:	4:4:4:4:	4:	C[5,6a]-3:C[5]-3:Si-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(SiC3)(H)	Si(C[5]C[5,6a]C[5]H)(CCHH)3	H(C[5]C[5,6a]C[5]Si)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(SiC3)(H){2|C<3>,2|H<1>}	Si(C[5]C[5,6a]C[5]H)(CCHH)3	H(C[5]C[5,6a]C[5]Si)	110.6695	0.524	4	110.6695	0.274	4	110.5040	0.567	6	109.0013	5.071	25	107.9108	6.132	110	107.6311	6.423	127
474	880	951	0:SP3_SP-NON_SP3	C[5]	Si	H	3:3:4:1:	4:4:4:4:	4:	C[5,6a]-3:C[5]-3:Si-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(SiC3)(H)	Si(C[5]C[5,6a]C[5]H)(CH3)3	H(C[5]C[5,6a]C[5]Si)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(SiC3)(H){1|C<4>,1|H<1>,2|C<3>}	Si(C[5]C[5,6a]C[5]H)(CH3)3	H(C[5]C[5,6a]C[5]Si)	109.2550	0.000	1	109.2550	0.000	1	110.5040	0.567	6	109.0013	5.071	25	107.9108	6.132	110	107.6311	6.423	127
474	880	951	0:SP3_SP-NON_SP3	C[5]	Si	H	3:3:4:1:	4:4:4:4:	4:	C[5,6a]-3:C[5]-3:Si-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(SiC3)(H)	Si(C[5]C[5,6a]C[5]H)(CH3)3	H(C[5]C[5,6a]C[5]Si)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(SiC3)(H){1|H<1>,5|C<3>}	Si(C[5]C[5,6a]C[5]H)(CH3)3	H(C[5]C[5,6a]C[5]Si)	111.0910	0.000	1	111.0910	0.000	1	110.5040	0.567	6	109.0013	5.071	25	107.9108	6.132	110	107.6311	6.423	127
474	880	951	0:SP3_SP-NON_SP3	C[5]	Si	H	3:3:4:1:	4:4:4:4:	4:	C[5,6a]-3:C[5]-3:Si-4:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(SiC[5]CC)(H)	Si(C[5]C[5,6a]C[5]H)(C[5]C[5,6a]2H)(CH3)2	H(C[5]C[5,6a]C[5]Si)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(SiC[5]CC)(H){2|C<3>,2|C<4>}	Si(C[5]C[5,6a]C[5]H)(C[5]C[5,6a]2H)(CH3)2	H(C[5]C[5,6a]C[5]Si)	110.4910	0.000	1	110.4910	0.000	1	111.3635	1.523	2	109.0013	5.071	25	107.9108	6.132	110	107.6311	6.423	127
474	880	951	0:SP3_SP-NON_SP3	C[5]	Si	H	3:3:4:1:	4:4:4:4:	4:	C[5,6a]-3:C[5]-3:Si-4:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(SiC[5]CC)(H)	Si(C[5]C[5,6a]C[5]H)2(CH3)2	H(C[5]C[5,6a]C[5]Si)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(SiC[5]CC)(H){2|C<3>,2|C<4>}	Si(C[5]C[5,6a]C[5]H)2(CH3)2	H(C[5]C[5,6a]C[5]Si)	112.2360	0.000	1	112.2360	0.000	1	111.3635	1.523	2	109.0013	5.071	25	107.9108	6.132	110	107.6311	6.423	127
474	880	951	0:SP3_SP-NON_SP3	C[5]	Si	H	3:3:4:1:	4:4:4:4:	4:	C[5]-3:C[5]-3:Si-4:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]Fe)(C[5]C[5]H)(SiC[5]CC)(H)	Si(C[5]C[5]2Fe)(C[5]C[5]2H)(CH3)2	H(C[5]C[5]2Si)	C[5](C[5]C[5]Fe)(C[5]C[5]H)(SiC[5]CC)(H){2|H<1>}	Si(C[5]C[5]2Fe)(C[5]C[5]2H)(CH3)2	H(C[5]C[5]2Si)	103.3580	0.000	1	103.3580	0.000	1	103.3580	0.000	1	109.0013	5.071	25	107.9108	6.132	110	107.6311	6.423	127
474	880	951	0:SP3_SP-NON_SP3	C[5]	Si	H	3:3:4:1:	4:4:4:4:	4:	C[5]-3:C[5]-3:Si-4:H-1:	C[5]-4:Si-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]C)2(SiSiCC)(H)	Si(C[5]C[5]2H)(SiC[5]CC)(CH3)2	H(C[5]C[5]2Si)	C[5](C[5]C[5]C)2(SiSiCC)(H){2|C<4>}	Si(C[5]C[5]2H)(SiC[5]CC)(CH3)2	H(C[5]C[5]2Si)	109.5457	0.792	4	109.5457	0.627	4	109.5457	0.627	4	109.0013	5.071	25	107.9108	6.132	110	107.6311	6.423	127
474	880	951	0:SP3_SP-NON_SP3	C[5]	Si	H	3:3:4:1:	4:4:4:4:	4:	P[5]-3:C[5]-3:Si-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:	C[5](P[5]C[3x3,4,3x5,14x6]N[5])(C[5]N[5]Si)(SiC3)(H)	Si(C[5]C[5]P[5]H)(CH3)3	H(C[5]C[5]P[5]Si)	C[5](P[5]C[3x3,4,3x5,14x6]N[5])(C[5]N[5]Si)(SiC3)(H){1|H<1>,4|B<6>}	Si(C[5]C[5]P[5]H)(CH3)3	H(C[5]C[5]P[5]Si)	107.8760	0.000	1	107.8760	0.000	1	107.8760	0.000	1	109.0013	5.071	25	107.9108	6.132	110	107.6311	6.423	127
474	880	951	0:SP3_SP-NON_SP3	C[5]	Si	H	3:3:4:1:	4:4:4:4:	4:	Si[5]-3:C[5]-3:Si-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:	C[5](Si[5]C[6a]C[5])(C[5]C[6a]C[5])(SiC3)(H)	Si(C[5]Si[5]C[5]H)(CH3)3	H(C[5]Si[5]C[5]Si)	C[5](Si[5]C[6a]C[5])(C[5]C[6a]C[5])(SiC3)(H){1|Si<4>,1|H<1>,5|C<3>}	Si(C[5]Si[5]C[5]H)(CH3)3	H(C[5]Si[5]C[5]Si)	107.5900	1.013	2	107.5900	1.025	2	107.5900	1.025	2	109.0013	5.071	25	107.9108	6.132	110	107.6311	6.423	127
474	880	951	0:SP3_SP-NON_SP3	C[5]	Si	H	3:4:4:1:	4:3:1:1:	4:	N[5]-3:C[5]-4:Si-4:H-1:	C[5]-4:N-3:Cl-1:Cl-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(SiCl2N)(H)	Si(C[5]C[5]N[5]H)(NCC)(Cl)2	H(C[5]C[5]N[5]Si)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(SiCl2N)(H){2|C<3>,2|C<4>,2|H<1>}	Si(C[5]C[5]N[5]H)(NCC)(Cl)2	H(C[5]C[5]N[5]Si)	102.4140	0.000	1	102.4140	0.000	1	102.4140	0.000	1	102.4140	0.000	1	107.9108	6.132	110	107.6311	6.423	127
474	880	951	0:SP3_SP-NON_SP3	C[5]	Si	H	3:4:4:1:	4:4:1:1:	4:	N[5]-3:C[5]-4:Si-4:H-1:	C[5]-4:C[5]-4:Cl-1:Cl-1:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(SiC[5]Cl2)(H)	Si(C[5]C[5]N[5]H)(C[5]C[5]2C)(Cl)2	H(C[5]C[5]N[5]Si)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(SiC[5]Cl2)(H){2|C<3>,2|C<4>,2|H<1>}	Si(C[5]C[5]N[5]H)(C[5]C[5]2C)(Cl)2	H(C[5]C[5]N[5]Si)	101.0740	0.000	1	101.0740	0.000	1	101.0740	0.000	1	101.0740	0.000	1	107.9108	6.132	110	107.6311	6.423	127
474	880	951	0:SP3_SP-NON_SP3	C[5]	Si	H	3:4:4:1:	4:4:4:1:	4:	C[5,5a]-3:C[5]-4:Si-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[6a]Si[5]H)(SiCCH)(H)	Si(C[5]C[5,5a]C[5]H)(CH3)2(H)	H(C[5]C[5,5a]C[5]Si)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[6a]Si[5]H)(SiCCH)(H){3|C<4>,4|C<3>}	Si(C[5]C[5,5a]C[5]H)(CH3)2(H)	H(C[5]C[5,5a]C[5]Si)	108.6030	0.000	1	108.6030	0.000	1	108.6030	0.000	1	108.6030	0.000	1	107.9108	6.132	110	107.6311	6.423	127
474	880	951	0:SP3_SP-NON_SP3	C[5]	Si	H	3:4:4:1:	4:4:4:4:	4:	C[5,6a]-3:N[5]-4:Si-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]BC)(SiC3)(H)	Si(C[5]C[5,6a]N[5]H)(CH3)3	H(C[5]C[5,6a]N[5]Si)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]BC)(SiC3)(H){2|C<3>,3|H<1>}	Si(C[5]C[5,6a]N[5]H)(CH3)3	H(C[5]C[5,6a]N[5]Si)	107.3325	1.713	2	107.3325	2.935	2	107.3325	2.935	2	107.6830	1.248	5	107.9108	6.132	110	107.6311	6.423	127
474	880	951	0:SP3_SP-NON_SP3	C[5]	Si	H	3:4:4:1:	4:4:4:4:	4:	C[5]-3:C[5]-4:Si-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(SiC3)(H)	Si(C[5]C[5]2H)(CH3)3	H(C[5]C[5]2Si)	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(SiC3)(H){1|C<4>,1|H<1>,3|C<3>}	Si(C[5]C[5]2H)(CH3)3	H(C[5]C[5]2Si)	107.4795	0.708	2	107.4795	0.501	2	107.4795	0.501	2	107.6830	1.248	5	107.9108	6.132	110	107.6311	6.423	127
474	880	951	0:SP3_SP-NON_SP3	C[5]	Si	H	3:4:4:1:	4:4:4:4:	4:	N[5]-3:C[5]-4:Si-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]FF)(SiC3)(H)	Si(C[5]C[5]N[5]H)(CH3)3	H(C[5]C[5]N[5]Si)	C[5](N[5]C[6a]C[5])(C[5]C[5]FF)(SiC3)(H){1|C<4>,2|C<3>,3|H<1>}	Si(C[5]C[5]N[5]H)(CH3)3	H(C[5]C[5]N[5]Si)	108.7910	0.000	1	108.7910	0.000	1	108.7910	0.000	1	107.6830	1.248	5	107.9108	6.132	110	107.6311	6.423	127
474	880	951	0:SP3_SP-NON_SP3	C[5]	Si	H	4:3:4:1:	4:3:3:3:	4:	C[5]-4:N[5]-3:Si-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(SiC[6a]3)(H)	Si(C[5]C[5]N[5]H)(C[6a]C[6a]2)3	H(C[5]C[5]N[5]Si)	C[5](C[5]C[5]HH)(N[5]C[5]C)(SiC[6a]3)(H){4|H<1>}	Si(C[5]C[5]N[5]H)(C[6a]C[6a]2)3	H(C[5]C[5]N[5]Si)	108.6810	0.000	1	108.6810	0.000	1	108.6810	0.000	1	108.6810	0.000	1	107.9108	6.132	110	107.6311	6.423	127
474	880	951	0:SP3_SP-NON_SP3	C[5]	Si	H	4:3:4:1:	4:3:4:4:	4:	C[5]-4:N[5]-3:Si-4:H-1:	C[5]-4:C[6a]-3:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(SiC[6a]CC)(H)	Si(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CH3)2	H(C[5]C[5]N[5]Si)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(SiC[6a]CC)(H){2|C<3>}	Si(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CH3)2	H(C[5]C[5]N[5]Si)	109.6320	0.000	1	109.6320	0.000	1	109.6320	0.000	1	109.6320	0.000	1	107.9108	6.132	110	107.6311	6.423	127
474	880	951	0:SP3_SP-NON_SP3	C[5]	Si	H	4:3:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-3:Si-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(SiC3)(H)	Si(C[5]C[5,6]C[5]H)(CH3)3	H(C[5]C[5,6]C[5]Si)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(SiC3)(H){1|O<2>,2|C<4>,2|H<1>}	Si(C[5]C[5,6]C[5]H)(CH3)3	H(C[5]C[5,6]C[5]Si)	101.3270	0.000	1	101.3270	0.000	1	101.3270	0.000	1	104.9862	5.508	5	107.9108	6.132	110	107.6311	6.423	127
474	880	951	0:SP3_SP-NON_SP3	C[5]	Si	H	4:3:4:1:	4:4:4:4:	4:	C[5,6]-4:N[5]-3:Si-4:H-1:	C[5]-4:Si-4:Si-4:Si-4:	C[5]-4:	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(SiSi3)(H)	Si(C[5]C[5,6]N[5]H)(SiC3)3	H(C[5]C[5,6]N[5]Si)	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(SiSi3)(H){2|C<3>,4|C<4>,6|H<1>}	Si(C[5]C[5,6]N[5]H)(SiC3)3	H(C[5]C[5,6]N[5]Si)	104.8760	0.000	1	104.8760	0.000	1	104.8760	0.000	1	104.9862	5.508	5	107.9108	6.132	110	107.6311	6.423	127
474	880	951	0:SP3_SP-NON_SP3	C[5]	Si	H	4:3:4:1:	4:4:4:4:	4:	C[5]-4:C[5]-3:Si-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CO)(C[5]C[5]O)(SiC3)(H)	Si(C[5]C[5]2H)(CH3)3	H(C[5]C[5]2Si)	C[5](C[5]C[5]CO)(C[5]C[5]O)(SiC3)(H){1|Si<4>,1|C<4>}	Si(C[5]C[5]2H)(CH3)3	H(C[5]C[5]2Si)	104.8400	0.000	1	104.8400	0.000	1	106.2427	1.948	3	104.9862	5.508	5	107.9108	6.132	110	107.6311	6.423	127
474	880	951	0:SP3_SP-NON_SP3	C[5]	Si	H	4:3:4:1:	4:4:4:4:	4:	C[5]-4:C[5]-3:Si-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]SiH)(C[5]Si[5]C)(SiC3)(H)	Si(C[5]C[5]2H)(CH3)3	H(C[5]C[5]2Si)	C[5](C[5]C[5]SiH)(C[5]Si[5]C)(SiC3)(H){1|Si<4>,1|C<4>,1|H<1>,1|O<2>}	Si(C[5]C[5]2H)(CH3)3	H(C[5]C[5]2Si)	106.9440	0.972	2	106.9440	0.944	2	106.2427	1.948	3	104.9862	5.508	5	107.9108	6.132	110	107.6311	6.423	127
474	880	951	0:SP3_SP-NON_SP3	C[5]	Si	H	4:4:3:1:	3:3:4:4:	4:	C[5]-4:Si-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(SiC[6a]2C)(C[5]C[5]C)(H)	Si(C[6a]C[6a]2)2(C[5]C[5]2H)(CH3)	H(C[5]C[5]2Si)	C[5](C[5]C[5]HH)(SiC[6a]2C)(C[5]C[5]C)(H){2|H<1>}	Si(C[6a]C[6a]2)2(C[5]C[5]2H)(CH3)	H(C[5]C[5]2Si)	110.4330	0.000	1	110.4330	0.000	1	110.4330	0.000	1	110.4330	0.000	1	107.9108	6.132	110	107.6311	6.423	127
474	880	951	0:SP3_SP-NON_SP3	C[5]	Si	H	4:4:3:1:	4:3:3:2:	4:	C[5]-4:Si-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C[5]-4:	C[5](C[5]C[5]HH)(SiC[6a]2O)(N[5]C[5]C)(H)	Si(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(OH)	H(C[5]C[5]N[5]Si)	C[5](C[5]C[5]HH)(SiC[6a]2O)(N[5]C[5]C)(H){4|H<1>}	Si(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(OH)	H(C[5]C[5]N[5]Si)	109.4960	0.000	1	109.4960	0.000	1	109.4960	0.000	1	109.4960	0.000	1	107.9108	6.132	110	107.6311	6.423	127
474	880	951	0:SP3_SP-NON_SP3	C[5]	Si	H	4:4:3:1:	4:3:3:4:	4:	C[5]-4:Si-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(SiC[6a]2C)(N[5]C[5]H)(H)	Si(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(CH3)	H(C[5]C[5]N[5]Si)	C[5](C[5]C[5]HH)(SiC[6a]2C)(N[5]C[5]H)(H){4|H<1>}	Si(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(CH3)	H(C[5]C[5]N[5]Si)	111.4960	0.000	1	111.4960	0.000	1	111.4960	0.000	1	111.4960	0.000	1	107.9108	6.132	110	107.6311	6.423	127
474	880	951	0:SP3_SP-NON_SP3	C[5]	Si	H	4:4:4:1:	3:3:4:4:	4:	C[5]-4:C[5]-4:Si-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[3x5]HH)(C[5]C[5,5]HH)(SiC[6a]2C)(H)	Si(C[6a]C[6a]2)2(C[5]C[5]2H)(CC3)	H(C[5]C[5]2Si)	C[5](C[5]C[3x5]HH)(C[5]C[5,5]HH)(SiC[6a]2C)(H){1|C<3>,3|C<4>}	Si(C[6a]C[6a]2)2(C[5]C[5]2H)(CC3)	H(C[5]C[5]2Si)	110.5630	0.000	1	110.5630	0.000	1	108.4470	2.197	4	108.4470	2.197	4	107.9108	6.132	110	107.6311	6.423	127
474	880	951	0:SP3_SP-NON_SP3	C[5]	Si	H	4:4:4:1:	3:3:4:4:	4:	C[5]-4:C[5]-4:Si-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(SiC[6a]2C)(H)	Si(C[6a]C[6a]2)2(C[5]C[5]2H)(CC3)	H(C[5]C[5]2Si)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(SiC[6a]2C)(H){1|S<4>,2|H<1>}	Si(C[6a]C[6a]2)2(C[5]C[5]2H)(CC3)	H(C[5]C[5]2Si)	108.0495	0.227	2	108.0495	0.052	2	108.4470	2.197	4	108.4470	2.197	4	107.9108	6.132	110	107.6311	6.423	127
474	880	951	0:SP3_SP-NON_SP3	C[5]	Si	H	4:4:4:1:	3:3:4:4:	4:	C[5]-4:C[5]-4:Si-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(SiC[6a]2C)(H)	Si(C[6a]C[6a]2)2(C[5]C[5]2H)(CC3)	H(C[5]C[5]2Si)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(SiC[6a]2C)(H){1|S<4>,2|C<3>,2|H<1>}	Si(C[6a]C[6a]2)2(C[5]C[5]2H)(CC3)	H(C[5]C[5]2Si)	107.1260	0.000	1	107.1260	0.000	1	108.4470	2.197	4	108.4470	2.197	4	107.9108	6.132	110	107.6311	6.423	127
474	880	951	0:SP3_SP-NON_SP3	C[5]	Si	H	4:4:4:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:Si-4:H-1:	C[6a]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]O[5]CH)(SiC[6a]CC)(H)	Si(C[6a]C[6a]2)(C[5]C[5]2H)(CH3)2	H(C[5]C[5]2Si)	C[5](C[5]C[5,5]CH)(C[5]O[5]CH)(SiC[6a]CC)(H){2|C<3>}	Si(C[6a]C[6a]2)(C[5]C[5]2H)(CH3)2	H(C[5]C[5]2Si)	107.7950	0.140	2	107.7950	0.020	2	107.7081	4.070	8	107.7081	4.070	8	107.9108	6.132	110	107.6311	6.423	127
474	880	951	0:SP3_SP-NON_SP3	C[5]	Si	H	4:4:4:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:Si-4:H-1:	C[6a]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]N[5]CH)(SiC[6a]CC)(H)	Si(C[6a]C[6a]2)(C[5]C[5]2H)(CH3)2	H(C[5]C[5]2Si)	C[5](C[5]C[5]CC)(C[5]N[5]CH)(SiC[6a]CC)(H){1|C<3>,2|H<1>}	Si(C[6a]C[6a]2)(C[5]C[5]2H)(CH3)2	H(C[5]C[5]2Si)	104.7535	0.337	2	104.7535	0.114	2	107.7081	4.070	8	107.7081	4.070	8	107.9108	6.132	110	107.6311	6.423	127
474	880	951	0:SP3_SP-NON_SP3	C[5]	Si	H	4:4:4:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:Si-4:H-1:	C[6a]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(SiC[6a]CC)(H)	Si(C[6a]C[6a]2)(C[5]C[5]2H)(CCCH)2	H(C[5]C[5]2Si)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(SiC[6a]CC)(H){1|H<1>,1|O<1>}	Si(C[6a]C[6a]2)(C[5]C[5]2H)(CCCH)2	H(C[5]C[5]2Si)	107.7470	0.000	1	107.7470	0.000	1	107.7081	4.070	8	107.7081	4.070	8	107.9108	6.132	110	107.6311	6.423	127
474	880	951	0:SP3_SP-NON_SP3	C[5]	Si	H	4:4:4:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:Si-4:H-1:	C[6a]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(SiC[6a]CC)(H)	Si(C[6a]C[6a]2)(C[5]C[5]2H)(CH3)2	H(C[5]C[5]2Si)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(SiC[6a]CC)(H){1|H<1>,1|O<1>}	Si(C[6a]C[6a]2)(C[5]C[5]2H)(CH3)2	H(C[5]C[5]2Si)	109.4070	0.000	1	109.4070	0.000	1	107.7081	4.070	8	107.7081	4.070	8	107.9108	6.132	110	107.6311	6.423	127
474	880	951	0:SP3_SP-NON_SP3	C[5]	Si	H	4:4:4:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:Si-4:H-1:	C[6a]-3:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(SiC[6a]CC)(H)	Si(C[6a]C[6a]2)(C[5]C[5]2H)(CH3)2	H(C[5]C[5]2Si)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(SiC[6a]CC)(H){1|C<4>,1|O<1>,2|C<3>}	Si(C[6a]C[6a]2)(C[5]C[5]2H)(CH3)2	H(C[5]C[5]2Si)	109.7070	0.000	2	109.7070	0.000	2	107.7081	4.070	8	107.7081	4.070	8	107.9108	6.132	110	107.6311	6.423	127
474	880	951	0:SP3_SP-NON_SP3	C[5]	Si	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:Si-4:H-1:	C[5]-4:Cl-1:Cl-1:Cl-1:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(SiCl3)(H)	Si(C[5]C[5]2H)(Cl)3	H(C[5]C[5]2Si)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(SiCl3)(H){4|C<3>}	Si(C[5]C[5]2H)(Cl)3	H(C[5]C[5]2Si)	109.6190	0.000	1	109.6190	0.000	1	109.6190	0.000	1	109.6190	0.000	1	107.9108	6.132	110	107.6311	6.423	127
474	880	951	0:SP3_SP-NON_SP3	C[5]	Si	H	4:4:4:1:	4:2:2:1:	4:	C[5]-4:C[5]-4:Si-4:H-1:	C[5]-4:O-2:O-2:O-1:	C[5]-4:	C[5](C[5]C[5]HH)2(SiO3)(H)	Si(C[5]C[5]2H)(OSi)2(O)	H(C[5]C[5]2Si)	C[5](C[5]C[5]HH)2(SiO3)(H){4|H<1>}	Si(C[5]C[5]2H)(OSi)2(O)	H(C[5]C[5]2Si)	108.3380	0.160	2	108.3380	0.026	2	108.3380	0.026	2	108.3380	0.026	2	107.9108	6.132	110	107.6311	6.423	127
474	880	951	0:SP3_SP-NON_SP3	C[5]	Si	H	4:4:4:1:	4:2:2:2:	4:	C[5]-4:C[5]-4:Si-4:H-1:	C[5]-4:O-2:O-2:O-2:	C[5]-4:	C[5](C[5]C[5]HH)2(SiO3)(H)	Si(C[5]C[5]2H)(OPd)(OSi)2	H(C[5]C[5]2Si)	C[5](C[5]C[5]HH)2(SiO3)(H){4|H<1>}	Si(C[5]C[5]2H)(OPd)(OSi)2	H(C[5]C[5]2Si)	107.1650	0.000	1	107.1650	0.000	1	107.9497	0.584	21	107.9497	0.584	21	107.9108	6.132	110	107.6311	6.423	127
474	880	951	0:SP3_SP-NON_SP3	C[5]	Si	H	4:4:4:1:	4:2:2:2:	4:	C[5]-4:C[5]-4:Si-4:H-1:	C[5]-4:O-2:O-2:O-2:	C[5]-4:	C[5](C[5]C[5]HH)2(SiO3)(H)	Si(C[5]C[5]2H)(OPt)(OSi)2	H(C[5]C[5]2Si)	C[5](C[5]C[5]HH)2(SiO3)(H){4|H<1>}	Si(C[5]C[5]2H)(OPt)(OSi)2	H(C[5]C[5]2Si)	107.8380	0.000	1	107.8380	0.000	1	107.9497	0.584	21	107.9497	0.584	21	107.9108	6.132	110	107.6311	6.423	127
474	880	951	0:SP3_SP-NON_SP3	C[5]	Si	H	4:4:4:1:	4:2:2:2:	4:	C[5]-4:C[5]-4:Si-4:H-1:	C[5]-4:O-2:O-2:O-2:	C[5]-4:	C[5](C[5]C[5]HH)2(SiO3)(H)	Si(C[5]C[5]2H)(OSi)2(OH)	H(C[5]C[5]2Si)	C[5](C[5]C[5]HH)2(SiO3)(H){4|H<1>}	Si(C[5]C[5]2H)(OSi)2(OH)	H(C[5]C[5]2Si)	107.5750	0.502	2	107.5750	0.252	2	107.9497	0.584	21	107.9497	0.584	21	107.9108	6.132	110	107.6311	6.423	127
474	880	951	0:SP3_SP-NON_SP3	C[5]	Si	H	4:4:4:1:	4:2:2:2:	4:	C[5]-4:C[5]-4:Si-4:H-1:	C[5]-4:O-2:O-2:O-2:	C[5]-4:	C[5](C[5]C[5]HH)2(SiO3)(H)	Si(C[5]C[5]2H)(OSi)3	H(C[5]C[5]2Si)	C[5](C[5]C[5]HH)2(SiO3)(H){4|H<1>}	Si(C[5]C[5]2H)(OSi)3	H(C[5]C[5]2Si)	108.0465	0.805	17	108.0465	0.648	17	107.9497	0.584	21	107.9497	0.584	21	107.9108	6.132	110	107.6311	6.423	127
474	880	951	0:SP3_SP-NON_SP3	C[5]	Si	H	4:4:4:1:	4:3:3:2:	4:	C[5]-4:N[5]-4:Si-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]HH)(SiC[6a]2O)(H)	Si(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(OH)	H(C[5]C[5]N[5]Si)	C[5](C[5]C[5]HH)(N[5]C[5]HH)(SiC[6a]2O)(H){4|H<1>}	Si(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(OH)	H(C[5]C[5]N[5]Si)	112.6510	3.408	2	112.6510	11.616	2	112.6510	11.616	2	112.6510	11.616	2	107.9108	6.132	110	107.6311	6.423	127
474	880	951	0:SP3_SP-NON_SP3	C[5]	Si	H	4:4:4:1:	4:3:3:3:	4:	C[5,5]-4:C[5]-4:Si-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]O[5]HH)(SiC[6a]3)(H)	Si(C[5]C[5,5]C[5]H)(C[6a]C[6a]2)3	H(C[5]C[5,5]C[5]Si)	C[5](C[5,5]C[5]3)(C[5]O[5]HH)(SiC[6a]3)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	Si(C[5]C[5,5]C[5]H)(C[6a]C[6a]2)3	H(C[5]C[5,5]C[5]Si)	107.7560	0.000	1	107.7560	0.000	1	107.7560	0.000	1	107.7490	0.000	2	107.9108	6.132	110	107.6311	6.423	127
474	880	951	0:SP3_SP-NON_SP3	C[5]	Si	H	4:4:4:1:	4:3:3:3:	4:	C[5]-4:N[5]-4:Si-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:C[6a]-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]HH)(SiC[6a]3)(H)	Si(C[5]C[5]N[5]H)(C[6a]C[6a]2)3	H(C[5]C[5]N[5]Si)	C[5](C[5]C[5]HH)(N[5]C[5]HH)(SiC[6a]3)(H){4|H<1>}	Si(C[5]C[5]N[5]H)(C[6a]C[6a]2)3	H(C[5]C[5]N[5]Si)	107.7420	0.000	1	107.7420	0.000	1	107.7420	0.000	1	107.7490	0.000	2	107.9108	6.132	110	107.6311	6.423	127
474	880	951	0:SP3_SP-NON_SP3	C[5]	Si	H	4:4:4:1:	4:3:3:4:	4:	C[5]-4:N[5]-4:Si-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:C-4:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]HH)(SiC[6a]2C)(H)	Si(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(CC3)	H(C[5]C[5]N[5]Si)	C[5](C[5]C[5]HH)(N[5]C[5]HH)(SiC[6a]2C)(H){4|H<1>}	Si(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(CC3)	H(C[5]C[5]N[5]Si)	110.7520	0.000	1	110.7520	0.000	1	110.7520	0.000	1	110.7520	0.000	1	107.9108	6.132	110	107.6311	6.423	127
474	880	951	0:SP3_SP-NON_SP3	C[5]	Si	H	4:4:4:1:	4:3:4:4:	4:	C[5,5]-4:C[5]-4:Si-4:H-1:	C[5]-4:C[6a]-3:C-4:C-4:	C[5]-4:	C[5](C[5,5]C[5]3)(C[5]O[5]HH)(SiC[6a]CC)(H)	Si(C[5]C[5,5]C[5]H)(C[6a]C[6a]2)(CH3)2	H(C[5]C[5,5]C[5]Si)	C[5](C[5,5]C[5]3)(C[5]O[5]HH)(SiC[6a]CC)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	Si(C[5]C[5,5]C[5]H)(C[6a]C[6a]2)(CH3)2	H(C[5]C[5,5]C[5]Si)	107.9465	0.069	4	107.9465	0.005	4	107.9465	0.005	4	107.5264	0.886	5	107.9108	6.132	110	107.6311	6.423	127
474	880	951	0:SP3_SP-NON_SP3	C[5]	Si	H	4:4:4:1:	4:3:4:4:	4:	C[5,6]-4:C[5]-4:Si-4:H-1:	C[5]-4:C[6a]-3:C-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CH)(SiC[6a]CC)(H)	Si(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(CH3)2	H(C[5]C[5,6]C[5]Si)	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CH)(SiC[6a]CC)(H){2|H<1>,3|C<4>}	Si(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(CH3)2	H(C[5]C[5,6]C[5]Si)	105.8460	0.000	1	105.8460	0.000	1	105.8460	0.000	1	107.5264	0.886	5	107.9108	6.132	110	107.6311	6.423	127
474	880	951	0:SP3_SP-NON_SP3	C[5]	Si	H	4:4:4:1:	4:4:2:2:	4:	C[5]-4:C[5]-4:Si-4:H-1:	C[5]-4:C[5]-4:O-2:O-2:	C[5]-4:	C[5](C[5]C[5]HH)2(SiC[5]OO)(H)	Si(C[5]C[5]2H)2(OH)2	H(C[5]C[5]2Si)	C[5](C[5]C[5]HH)2(SiC[5]OO)(H){4|H<1>}	Si(C[5]C[5]2H)2(OH)2	H(C[5]C[5]2Si)	107.1285	0.035	2	107.1285	0.001	2	107.1285	0.001	2	107.1285	0.001	2	107.9108	6.132	110	107.6311	6.423	127
474	880	951	0:SP3_SP-NON_SP3	C[5]	Si	H	4:4:4:1:	4:4:4:3:	4:	C[5,6]-4:C[5]-4:Si-4:H-1:	C[5]-4:C-4:C-4:C-3:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]CH)(SiC3)(H)	Si(C[5]C[5,6]C[5]H)(CH3)2(CCH)	H(C[5]C[5,6]C[5]Si)	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]CH)(SiC3)(H){1|O<2>,2|C<4>,2|H<1>}	Si(C[5]C[5,6]C[5]H)(CH3)2(CCH)	H(C[5]C[5,6]C[5]Si)	102.9240	0.000	1	102.9240	0.000	1	102.9240	0.000	1	102.9240	0.000	1	107.9108	6.132	110	107.6311	6.423	127
474	880	951	0:SP3_SP-NON_SP3	C[5]	Si	H	4:4:4:1:	4:4:4:4:	4:	B[5]-4:C[5]-4:Si-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:	C[5](B[5]C[6a]2N[5])(C[5]P[5]HH)(SiC3)(H)	Si(C[5]B[5]C[5]H)(CH3)3	H(C[5]B[5]C[5]Si)	C[5](B[5]C[6a]2N[5])(C[5]P[5]HH)(SiC3)(H){1|O<1>,6|C<3>}	Si(C[5]B[5]C[5]H)(CH3)3	H(C[5]B[5]C[5]Si)	105.3760	0.000	1	104.9250	0.407	2	104.9250	0.407	2	104.8418	1.755	12	107.9108	6.132	110	107.6311	6.423	127
474	880	951	0:SP3_SP-NON_SP3	C[5]	Si	H	4:4:4:1:	4:4:4:4:	4:	B[5]-4:C[5]-4:Si-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:	C[5](B[5]C[6a]2N[5])(C[5]P[5]HH)(SiC3)(H)	Si(C[5]B[5]C[5]H)(CH3)3	H(C[5]B[5]C[5]Si)	C[5](B[5]C[6a]2N[5])(C[5]P[5]HH)(SiC3)(H){1|O<2>,6|C<3>}	Si(C[5]B[5]C[5]H)(CH3)3	H(C[5]B[5]C[5]Si)	104.4740	0.000	1	104.9250	0.407	2	104.9250	0.407	2	104.8418	1.755	12	107.9108	6.132	110	107.6311	6.423	127
474	880	951	0:SP3_SP-NON_SP3	C[5]	Si	H	4:4:4:1:	4:4:4:4:	4:	C[5,5]-4:C[5]-4:Si-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]CH)(SiC3)(H)	Si(C[5]C[5,5]C[5]H)(CH3)3	H(C[5]C[5,5]C[5]Si)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]CH)(SiC3)(H){1|C<3>,2|C<4>,4|H<1>}	Si(C[5]C[5,5]C[5]H)(CH3)3	H(C[5]C[5,5]C[5]Si)	104.3260	0.896	4	104.3260	0.803	4	104.3260	0.803	4	104.8418	1.755	12	107.9108	6.132	110	107.6311	6.423	127
474	880	951	0:SP3_SP-NON_SP3	C[5]	Si	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:Si-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(SiC3)(H)	Si(C[5]C[5,6]C[5]H)(CCHH)3	H(C[5]C[5,6]C[5]Si)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(SiC3)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	Si(C[5]C[5,6]C[5]H)(CCHH)3	H(C[5]C[5,6]C[5]Si)	104.7360	0.000	1	104.7360	0.000	1	103.6140	2.518	2	104.8418	1.755	12	107.9108	6.132	110	107.6311	6.423	127
474	880	951	0:SP3_SP-NON_SP3	C[5]	Si	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:Si-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]CH)(SiC3)(H)	Si(C[5]C[5,6]C[5]H)(CH3)3	H(C[5]C[5,6]C[5]Si)	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]CH)(SiC3)(H){1|O<2>,2|C<4>,2|H<1>}	Si(C[5]C[5,6]C[5]H)(CH3)3	H(C[5]C[5,6]C[5]Si)	102.4920	0.000	1	102.4920	0.000	1	103.6140	2.518	2	104.8418	1.755	12	107.9108	6.132	110	107.6311	6.423	127
474	880	951	0:SP3_SP-NON_SP3	C[5]	Si	H	4:4:4:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:Si-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:	C[5](C[5]Si[5]SiH)(C[5]C[5]SiH)(SiC3)(H)	Si(C[5]C[5]2H)(CH3)3	H(C[5]C[5]2Si)	C[5](C[5]Si[5]SiH)(C[5]C[5]SiH)(SiC3)(H){1|C<3>,1|C<4>,1|O<2>}	Si(C[5]C[5]2H)(CH3)3	H(C[5]C[5]2Si)	106.6975	1.582	2	106.6975	2.502	2	106.6975	2.502	2	104.8418	1.755	12	107.9108	6.132	110	107.6311	6.423	127
474	880	951	0:SP3_SP-NON_SP3	C[5]	Si	H	4:4:4:1:	4:4:4:4:	4:	C[5]-4:Si[5]-4:Si-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]SiH)(Si[5]C[5]CO)(SiC3)(H)	Si(C[5]Si[5]C[5]H)(CH3)3	H(C[5]Si[5]C[5]Si)	C[5](C[5]C[5]SiH)(Si[5]C[5]CO)(SiC3)(H){1|Si<4>,1|C<3>,1|H<1>}	Si(C[5]Si[5]C[5]H)(CH3)3	H(C[5]Si[5]C[5]Si)	105.1620	0.532	2	105.1620	0.283	2	105.1620	0.283	2	104.8418	1.755	12	107.9108	6.132	110	107.6311	6.423	127
474	880	974	0:SP3_SP2_SP3	C[5]	Si	As[5]	4:2:4:4:	4:4:4:4:	3:4:	P[5]-4:As[5]-2:Si-4:Si-4:	C[5]-4:C-4:C-4:C-4:	C[5]-3:C[5]-4:	C[5](P[5]O[5]OW)(As[5]C[5])(SiC3)2	Si(C[5]As[5]P[5]Si)(CH3)3	As[5](C[5]C[6a]O[5])(C[5]P[5]Si2)	C[5](P[5]O[5]OW)(As[5]C[5])(SiC3)2{1|C<3>}	Si(C[5]As[5]P[5]Si)(CH3)3	As[5](C[5]C[6a]O[5])(C[5]P[5]Si2){1|O<2>,1|W<9>,2|C<3>}	104.5025	5.148	2	104.5025	26.506	2	104.5025	26.506	2	104.5025	26.506	2	104.5025	26.506	2	104.5025	26.506	2
474	880	976	0:SP3_SP3_SP3	C[5,5,6]	Si	O[5,5]	3:4:2:4:	4:4:4:4:	4:4:	C[5,6,6a]-3:C[5,5,6]-4:O[5,5]-2:Si-4:	C[5,5,6]-4:C-4:C-4:C-4:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(SiC3)	Si(C[5,5,6]C[5,6,6a]C[5,5,6]O[5,5])(CC3)(CH3)2	O[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]Si)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(SiC3){1|Si<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	Si(C[5,5,6]C[5,6,6a]C[5,5,6]O[5,5])(CC3)(CH3)2	O[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]Si)2{2|H<1>,4|C<3>}	109.5970	1.076	2	109.5970	1.158	2	109.5970	1.158	2	109.5970	1.158	2	109.5970	1.158	2	106.3907	14.122	4
474	880	976	0:SP3_SP3_SP3	C[5]	Si	O[5]	3:2:4:4:	4:4:4:4:	4:4:	C[5,6a]-3:O[5]-2:Si-4:Si-4:	C[5]-4:C-4:C-4:C-4:	Ge[5,6]-4:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]Ge[5,6])(SiC3)2	Si(C[5]C[5,6a]O[5]Si)(CH3)3	O[5](Ge[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]Si2)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]Ge[5,6])(SiC3)2{1|H<1>,4|C<3>}	Si(C[5]C[5,6a]O[5]Si)(CH3)3	O[5](Ge[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]Si2){2|C<4>,4|C<3>}	103.1845	0.293	2	103.1845	0.086	2	103.1845	0.086	2	103.1845	0.086	2	103.1845	0.086	2	106.3907	14.122	4
474	880	984	0:SP3_SP-NON_SP3	C[5]	Si	Ga	3:3:4:4:	4:3:4:4:	4:1:1:1:	C[5]-3:C[5]-3:Ga-4:Si-4:	C[5]-4:N-3:C-4:C-4:	C[5]-4:Cl-1:Cl-1:Cl-1:	C[5](C[5]C[5]C)2(GaCl3)(SiCCN)	Si(C[5]C[5]2Ga)(NGaC)(CH3)2	Ga(C[5]C[5]2Si)(Cl)3	C[5](C[5]C[5]C)2(GaCl3)(SiCCN){2|C<4>}	Si(C[5]C[5]2Ga)(NGaC)(CH3)2	Ga(C[5]C[5]2Si)(Cl)3	116.7310	0.000	2	116.7310	0.000	2	116.7310	0.000	2	116.7310	0.000	2	116.7310	0.000	2	116.7310	0.000	2
474	880	987	0:SP3_SP-NON_SP3	C[5]	Si	P[5]	4:2:4:4:	4:4:4:4:	4:4:	C[5]-4:P[5]-2:Si-4:Si-4:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(P[5]C[5])(SiC3)2	Si(C[5]C[5]P[5]Si)(CH3)3	P[5](C[5]C[5]Si2)2	C[5](C[5]C[5]HH)(P[5]C[5])(SiC3)2{2|Si<4>,2|H<1>}	Si(C[5]C[5]P[5]Si)(CH3)3	P[5](C[5]C[5]Si2)2{4|H<1>}	108.7863	1.701	16	108.7863	2.893	16	108.7863	2.893	16	108.7863	2.893	16	108.7863	2.893	16	108.7863	2.893	16
474	880	989	0:SP3_SP2_SP3	C[5]	Si	Si[5]	3:3:4:1:	4:4:4:4:	4:4:3:	Si[5]-3:C[5]-3:Si-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C[5]-4:C[6a]-3:	C[5](Si[5]C[6a]C[5])(C[5]C[6a]C[5])(SiC3)(H)	Si(C[5]Si[5]C[5]H)(CH3)3	Si[5](C[5]C[5]SiH)2(C[6a]C[6a]2)	C[5](Si[5]C[6a]C[5])(C[5]C[6a]C[5])(SiC3)(H){1|Si<4>,1|H<1>,5|C<3>}	Si(C[5]Si[5]C[5]H)(CH3)3	Si[5](C[5]C[5]SiH)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	113.6900	0.536	2	113.6900	0.287	2	113.6900	0.287	2	113.6900	0.287	2	113.2651	7.724	82	113.2651	7.724	82
474	880	989	0:SP3_SP2_SP3	C[5]	Si	Si[5]	3:4:4:4:	4:4:4:4:	3:4:4:	Si[5]-3:C[5]-4:Si-4:Si-4:	C[5]-4:C-4:C-4:C-4:	Si-3:C[5]-4:C[5]-4:	C[5](Si[5]C[5]Si)(C[5]C[5]HH)(SiC3)2	Si(C[5]Si[5]C[5]Si)(CH3)3	Si[5](SiC[5a]C[6a])(C[5]C[5]Si2)2	C[5](Si[5]C[5]Si)(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|H<1>}	Si(C[5]Si[5]C[5]Si)(CH3)3	Si[5](SiC[5a]C[6a])(C[5]C[5]Si2)2{4|H<1>}	113.9402	3.013	12	113.9402	9.077	12	113.9402	9.077	12	113.9326	7.077	16	113.2651	7.724	82	113.2651	7.724	82
474	880	989	0:SP3_SP2_SP3	C[5]	Si	Si[5]	3:4:4:4:	4:4:4:4:	3:4:4:	Si[5]-3:C[5]-4:Si-4:Si-4:	C[5]-4:C-4:C-4:C-4:	Si[4,4]-3:C[5]-4:C[5]-4:	C[5](Si[5]Si[4,4]C[5])(C[5]C[5]HH)(SiC3)2	Si(C[5]Si[5]C[5]Si)(CH3)3	Si[5](Si[4,4]Si[4x4]2)(C[5]C[5]Si2)2	C[5](Si[5]Si[4,4]C[5])(C[5]C[5]HH)(SiC3)2{4|Si<4>,2|H<1>}	Si(C[5]Si[5]C[5]Si)(CH3)3	Si[5](Si[4,4]Si[4x4]2)(C[5]C[5]Si2)2{2|Si<4>,2|C<4>,4|H<1>}	113.9095	1.450	4	113.9095	2.103	4	113.9095	2.103	4	113.9326	7.077	16	113.2651	7.724	82	113.2651	7.724	82
474	880	989	0:SP3_SP2_SP3	C[5]	Si	Si[5]	3:4:4:4:	4:4:4:4:	4:4:1:	Si[5]-3:C[5]-4:Si-4:Si-4:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C[5]-4:Se-1:	C[5](Si[5]C[5]Se)(C[5]C[5]HH)(SiC3)2	Si(C[5]Si[5]C[5]Si)(CH3)3	Si[5](C[5]C[5]Si2)2(Se)	C[5](Si[5]C[5]Se)(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|H<1>}	Si(C[5]Si[5]C[5]Si)(CH3)3	Si[5](C[5]C[5]Si2)2(Se){4|H<1>}	111.9290	3.794	4	111.9290	14.394	4	111.9290	14.394	4	111.9290	14.394	4	113.2651	7.724	82	113.2651	7.724	82
474	880	989	0:SP3_SP2_SP3	C[5]	Si	Si[5]	3:4:4:4:	4:4:4:4:	4:4:2:	Si[5]-3:C[5]-4:Si-4:Si-4:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C[5]-4:Si-2:	C[5](Si[5]C[5]Si)(C[5]C[5]HH)(SiC3)2	Si(C[5]Si[5]C[5]Si)(CH3)3	Si[5](C[5]C[5]Si2)2(SiC[6a])	C[5](Si[5]C[5]Si)(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|H<1>}	Si(C[5]Si[5]C[5]Si)(CH3)3	Si[5](C[5]C[5]Si2)2(SiC[6a]){4|H<1>}	112.6912	1.313	4	112.6912	1.723	4	112.6912	1.723	4	112.6912	1.723	4	113.2651	7.724	82	113.2651	7.724	82
474	880	989	0:SP3_SP2_SP3	C[5]	Si	Si[5]	3:4:4:4:	4:4:4:4:	4:4:3:	Si[5]-3:C[5]-4:Si-4:Si-4:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C[5]-4:Si-3:	C[5](Si[5]C[5]Si)(C[5]C[5]HH)(SiC3)2	Si(C[5]Si[5]C[5]Si)(CH3)3	Si[5](C[5]C[5]Si2)2(SiC[6a]2)	C[5](Si[5]C[5]Si)(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|H<1>}	Si(C[5]Si[5]C[5]Si)(CH3)3	Si[5](C[5]C[5]Si2)2(SiC[6a]2){4|H<1>}	114.5835	1.695	12	114.5835	2.873	12	114.5002	2.321	32	114.5002	2.321	32	113.2651	7.724	82	113.2651	7.724	82
474	880	989	0:SP3_SP2_SP3	C[5]	Si	Si[5]	3:4:4:4:	4:4:4:4:	4:4:3:	Si[5]-3:C[5]-4:Si-4:Si-4:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C[5]-4:Si-3:	C[5](Si[5]C[5]Si)(C[5]C[5]HH)(SiC3)2	Si(C[5]Si[5]C[5]Si)(CH3)3	Si[5](C[5]C[5]Si2)2(SiC[6a]C)	C[5](Si[5]C[5]Si)(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|H<1>}	Si(C[5]Si[5]C[5]Si)(CH3)3	Si[5](C[5]C[5]Si2)2(SiC[6a]C){4|H<1>}	114.7063	1.602	12	114.7063	2.567	12	114.5002	2.321	32	114.5002	2.321	32	113.2651	7.724	82	113.2651	7.724	82
474	880	989	0:SP3_SP2_SP3	C[5]	Si	Si[5]	3:4:4:4:	4:4:4:4:	4:4:3:	Si[5]-3:C[5]-4:Si-4:Si-4:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C[5]-4:Si-3:	C[5](Si[5]C[5]Si)(C[5]C[5]HH)(SiC3)2	Si(C[5]Si[5]C[5]Si)(CH3)3	Si[5](C[5]C[5]Si2)2(SiC[6a]Si)	C[5](Si[5]C[5]Si)(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|H<1>}	Si(C[5]Si[5]C[5]Si)(CH3)3	Si[5](C[5]C[5]Si2)2(SiC[6a]Si){4|H<1>}	114.0662	1.197	8	114.0662	1.433	8	114.5002	2.321	32	114.5002	2.321	32	113.2651	7.724	82	113.2651	7.724	82
474	880	989	0:SP3_SP2_SP3	C[5]	Si	Si[5]	4:3:4:4:	4:4:4:4:	4:4:1:	C[5]-4:Si[5]-3:Si-4:Si-4:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C[5]-4:S-1:	C[5](C[5]C[5]HH)(Si[5]C[5]S)(SiC3)2	Si(C[5]Si[5]C[5]Si)(CH3)3	Si[5](C[5]C[5]Si2)2(S)	C[5](C[5]C[5]HH)(Si[5]C[5]S)(SiC3)2{2|Si<4>,2|H<1>}	Si(C[5]Si[5]C[5]Si)(CH3)3	Si[5](C[5]C[5]Si2)2(S){4|H<1>}	111.6188	3.913	4	111.6188	15.315	4	111.6188	15.315	4	111.6188	15.315	4	113.2651	7.724	82	113.2651	7.724	82
474	880	989	0:SP3_SP2_SP3	C[5]	Si	Si[5]	4:3:4:4:	4:4:4:4:	4:4:2:	C[5]-4:Si[5]-3:Si-4:Si-4:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C[5]-4:C-2:	C[5](C[5]C[5]HH)(Si[5]C[5]C)(SiC3)2	Si(C[5]Si[5]C[5]Si)(CH3)3	Si[5](C[5]C[5]Si2)2(CN)	C[5](C[5]C[5]HH)(Si[5]C[5]C)(SiC3)2{2|Si<4>,2|H<1>}	Si(C[5]Si[5]C[5]Si)(CH3)3	Si[5](C[5]C[5]Si2)2(CN){4|H<1>}	112.4787	4.918	4	112.4787	24.183	4	112.4787	24.183	4	111.4238	11.028	20	113.2651	7.724	82	113.2651	7.724	82
474	880	989	0:SP3_SP2_SP3	C[5]	Si	Si[5]	4:3:4:4:	4:4:4:4:	4:4:2:	C[5]-4:Si[5]-3:Si-4:Si-4:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C[5]-4:N-2:	C[5](C[5]C[5]HH)(Si[5]C[5]N)(SiC3)2	Si(C[5]Si[5]C[5]Si)(CH3)3	Si[5](C[5]C[5]Si2)2(NC)	C[5](C[5]C[5]HH)(Si[5]C[5]N)(SiC3)2{2|Si<4>,2|H<1>}	Si(C[5]Si[5]C[5]Si)(CH3)3	Si[5](C[5]C[5]Si2)2(NC){4|H<1>}	111.4370	3.333	4	111.4370	11.109	4	111.1601	8.761	16	111.4238	11.028	20	113.2651	7.724	82	113.2651	7.724	82
474	880	989	0:SP3_SP2_SP3	C[5]	Si	Si[5]	4:3:4:4:	4:4:4:4:	4:4:2:	C[5]-4:Si[5]-3:Si-4:Si-4:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C[5]-4:N-2:	C[5](C[5]C[5]HH)(Si[5]C[5]N)(SiC3)2	Si(C[5]Si[5]C[5]Si)(CH3)3	Si[5](C[5]C[5]Si2)2(NC[3x6])	C[5](C[5]C[5]HH)(Si[5]C[5]N)(SiC3)2{2|Si<4>,2|H<1>}	Si(C[5]Si[5]C[5]Si)(CH3)3	Si[5](C[5]C[5]Si2)2(NC[3x6]){4|H<1>}	111.3050	3.035	4	111.3050	9.212	4	111.1601	8.761	16	111.4238	11.028	20	113.2651	7.724	82	113.2651	7.724	82
474	880	989	0:SP3_SP2_SP3	C[5]	Si	Si[5]	4:3:4:4:	4:4:4:4:	4:4:2:	C[5]-4:Si[5]-3:Si-4:Si-4:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C[5]-4:N-2:	C[5](C[5]C[5]HH)(Si[5]C[5]N)(SiC3)2	Si(C[5]Si[5]C[5]Si)(CH3)3	Si[5](C[5]C[5]Si2)2(NC[6a])	C[5](C[5]C[5]HH)(Si[5]C[5]N)(SiC3)2{2|Si<4>,2|H<1>}	Si(C[5]Si[5]C[5]Si)(CH3)3	Si[5](C[5]C[5]Si2)2(NC[6a]){4|H<1>}	111.0760	3.160	4	111.0760	9.985	4	111.1601	8.761	16	111.4238	11.028	20	113.2651	7.724	82	113.2651	7.724	82
474	880	989	0:SP3_SP2_SP3	C[5]	Si	Si[5]	4:3:4:4:	4:4:4:4:	4:4:2:	C[5]-4:Si[5]-3:Si-4:Si-4:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C[5]-4:N-2:	C[5](C[5]C[5]HH)(Si[5]C[5]N)(SiC3)2	Si(C[5]Si[5]C[5]Si)(CH3)3	Si[5](C[5]C[5]Si2)2(NSi)	C[5](C[5]C[5]HH)(Si[5]C[5]N)(SiC3)2{2|Si<4>,2|H<1>}	Si(C[5]Si[5]C[5]Si)(CH3)3	Si[5](C[5]C[5]Si2)2(NSi){4|H<1>}	110.8222	3.634	4	110.8222	13.205	4	111.1601	8.761	16	111.4238	11.028	20	113.2651	7.724	82	113.2651	7.724	82
474	880	996	0:SP3_SP3_SP3	C[5]	Si	Si[4,5,5]	4:4:4:4:	4:4:4:4:	3:3:4:4:	Si[4,5,5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:C-4:C-4:C-4:	Si[4,4,5,5]-3:Si[4,4,5,5]-3:C[5]-4:C[5]-4:	C[5](Si[4,5,5]Si[4,4,5,5]2C[5])(C[5]C[5]HH)(SiC3)2	Si(C[5]Si[4,5,5]C[5]Si)(CH3)3	Si[4,5,5](Si[4,4,5,5]Si[3,4,5,5]Si[3x4,5])2(C[5]C[5]Si2)2	C[5](Si[4,5,5]Si[4,4,5,5]2C[5])(C[5]C[5]HH)(SiC3)2{5|Si<4>,2|H<1>}	Si(C[5]Si[4,5,5]C[5]Si)(CH3)3	Si[4,5,5](Si[4,4,5,5]Si[3,4,5,5]Si[3x4,5])2(C[5]C[5]Si2)2{1|Si<4>,3|C<4>,4|H<1>}	116.7832	4.235	4	116.7832	17.933	4	116.7832	17.933	4	116.7832	17.933	4	116.7832	17.933	4	115.9156	8.767	48
474	880	996	0:SP3_SP3_SP3	C[5]	Si	Si[4,5]	4:4:4:4:	4:4:4:4:	2:2:4:4:	Si[4,5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:C-4:C-4:C-4:	Si[4]-2:Si[4]-2:C[5]-4:C[5]-4:	C[5](Si[4,5]Si[4]2C[5])(C[5]C[5]HH)(SiC3)2	Si(C[5]Si[4,5]C[5]Si)(CH3)3	Si[4,5](Si[4]Si[4,5])2(C[5]C[5]Si2)2	C[5](Si[4,5]Si[4]2C[5])(C[5]C[5]HH)(SiC3)2{3|Si<4>,2|H<1>}	Si(C[5]Si[4,5]C[5]Si)(CH3)3	Si[4,5](Si[4]Si[4,5])2(C[5]C[5]Si2)2{2|C<4>,4|H<1>}	114.9048	2.535	4	114.9048	6.425	4	114.9048	6.425	4	114.9048	6.425	4	115.8367	8.255	44	115.9156	8.767	48
474	880	996	0:SP3_SP3_SP3	C[5]	Si	Si[4,5]	4:4:4:4:	4:4:4:4:	3:3:4:4:	Si[4,5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:C-4:C-4:C-4:	Si[4]-3:Si[4]-3:C[5]-4:C[5]-4:	C[5](Si[4,5]Si[4]2C[5])(C[5]C[5]HH)(SiC3)2	Si(C[5]Si[4,5]C[5]Si)(CH3)3	Si[4,5](Si[4]Si[4,5]Cl)2(C[5]C[5]Si2)2	C[5](Si[4,5]Si[4]2C[5])(C[5]C[5]HH)(SiC3)2{2|Cl<1>,3|Si<4>,2|H<1>}	Si(C[5]Si[4,5]C[5]Si)(CH3)3	Si[4,5](Si[4]Si[4,5]Cl)2(C[5]C[5]Si2)2{2|C<4>,4|H<1>}	116.0048	2.279	4	116.0048	5.193	4	116.0272	11.778	16	116.0272	11.778	16	115.8367	8.255	44	115.9156	8.767	48
474	880	996	0:SP3_SP3_SP3	C[5]	Si	Si[4,5]	4:4:4:4:	4:4:4:4:	3:3:4:4:	Si[4,5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:C-4:C-4:C-4:	Si[4]-3:Si[4]-3:C[5]-4:C[5]-4:	C[5](Si[4,5]Si[4]2C[5])(C[5]C[5]HH)(SiC3)2	Si(C[5]Si[4,5]C[5]Si)(CH3)3	Si[4,5](Si[4]Si[4,5]I)2(C[5]C[5]Si2)2	C[5](Si[4,5]Si[4]2C[5])(C[5]C[5]HH)(SiC3)2{3|Si<4>,2|H<1>,2|I<1>}	Si(C[5]Si[4,5]C[5]Si)(CH3)3	Si[4,5](Si[4]Si[4,5]I)2(C[5]C[5]Si2)2{2|C<4>,4|H<1>}	116.0347	3.827	12	116.0347	14.645	12	116.0272	11.778	16	116.0272	11.778	16	115.8367	8.255	44	115.9156	8.767	48
474	880	996	0:SP3_SP3_SP3	C[5]	Si	Si[4,5]	4:4:4:4:	4:4:4:4:	3:4:4:2:	Si[4,5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:C-4:C-4:C-4:	C[4]-3:C[5]-4:C[5]-4:O[4]-2:	C[5](Si[4,5]C[4]C[5]O[4])(C[5]C[5]HH)(SiC3)2	Si(C[5]Si[4,5]C[5]Si)(CH3)3	Si[4,5](C[4]C[6a]C[4])(C[5]C[5]Si2)2(O[4]C[4])	C[5](Si[4,5]C[4]C[5]O[4])(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|C<3>,2|H<1>}	Si(C[5]Si[4,5]C[5]Si)(CH3)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>}	113.4920	1.778	4	113.4920	3.163	4	113.4920	3.163	4	113.4920	3.163	4	115.8367	8.255	44	115.9156	8.767	48
474	880	996	0:SP3_SP3_SP3	C[5]	Si	Si[4,5]	4:4:4:4:	4:4:4:4:	4:4:2:2:	Si[4,5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C[5]-4:O[4]-2:O[4]-2:	C[5](Si[4,5]C[5]O[4]2)(C[5]C[5]HH)(SiC3)2	Si(C[5]Si[4,5]C[5]Si)(CH3)3	Si[4,5](C[5]C[5]Si2)2(O[4]C[4])2	C[5](Si[4,5]C[5]O[4]2)(C[5]C[5]HH)(SiC3)2{2|Si<4>,1|C<3>,2|H<1>}	Si(C[5]Si[4,5]C[5]Si)(CH3)3	Si[4,5](C[5]C[5]Si2)2(O[4]C[4])2{1|N<2>,4|H<1>}	113.8107	1.459	4	113.8107	2.130	4	116.1243	3.884	12	115.6307	4.078	16	115.8367	8.255	44	115.9156	8.767	48
474	880	996	0:SP3_SP3_SP3	C[5]	Si	Si[4,5]	4:4:4:4:	4:4:4:4:	4:4:2:2:	Si[4,5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C[5]-4:O[4]-2:O[4]-2:	C[5](Si[4,5]C[5]O[4]2)(C[5]C[5]HH)(SiC3)2	Si(C[5]Si[4,5]C[5]Si)(CH3)3	Si[4,5](C[5]C[5]Si2)2(O[4]Si[4,5])2	C[5](Si[4,5]C[5]O[4]2)(C[5]C[5]HH)(SiC3)2{3|Si<4>,2|H<1>}	Si(C[5]Si[4,5]C[5]Si)(CH3)3	Si[4,5](C[5]C[5]Si2)2(O[4]Si[4,5])2{2|C<4>,4|H<1>}	117.2810	0.776	8	117.2810	0.603	8	116.1243	3.884	12	115.6307	4.078	16	115.8367	8.255	44	115.9156	8.767	48
474	880	996	0:SP3_SP3_SP3	C[5]	Si	Si[4,5]	4:4:4:4:	4:4:4:4:	4:4:2:2:	Si[4,5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C[5]-4:S[4]-2:S[4]-2:	C[5](Si[4,5]C[5]S[4]2)(C[5]C[5]HH)(SiC3)2	Si(C[5]Si[4,5]C[5]Si)(CH3)3	Si[4,5](C[5]C[5]Si2)2(S[4]C[4])2	C[5](Si[4,5]C[5]S[4]2)(C[5]C[5]HH)(SiC3)2{2|Si<4>,1|C<3>,2|H<1>}	Si(C[5]Si[4,5]C[5]Si)(CH3)3	Si[4,5](C[5]C[5]Si2)2(S[4]C[4])2{1|N<2>,4|H<1>}	114.1500	1.500	4	114.1500	2.250	4	114.1500	2.250	4	115.6307	4.078	16	115.8367	8.255	44	115.9156	8.767	48
474	880	996	0:SP3_SP3_SP3	C[5]	Si	Si[4,5]	4:4:4:4:	4:4:4:4:	4:4:4:4:	Si[4,5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:C-4:C-4:C-4:	Si[4]-4:Si[4]-4:C[5]-4:C[5]-4:	C[5](Si[4,5]Si[4]2C[5])(C[5]C[5]HH)(SiC3)2	Si(C[5]Si[4,5]C[5]Si)(CH3)3	Si[4,5](Si[4]Si[4,5]Cl2)2(C[5]C[5]Si2)2	C[5](Si[4,5]Si[4]2C[5])(C[5]C[5]HH)(SiC3)2{3|Si<4>,4|Cl<1>,2|H<1>}	Si(C[5]Si[4,5]C[5]Si)(CH3)3	Si[4,5](Si[4]Si[4,5]Cl2)2(C[5]C[5]Si2)2{2|C<4>,4|H<1>}	119.1755	2.384	4	119.1755	5.682	4	119.1755	5.682	4	119.1755	5.682	4	115.8367	8.255	44	115.9156	8.767	48
474	880	999	0:SP3_SP3_SP3	C[5]	Si	N[5]	3:4:4:1:	4:4:4:4:	4:4:4:4:	C[5,6a]-3:N[5]-4:Si-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C[5]-4:B-4:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]BC)(SiC3)(H)	Si(C[5]C[5,6a]N[5]H)(CH3)3	N[5](C[5]C[5,6a]SiH)(C[5]C[5,6a]HH)(BH3)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]BC)(SiC3)(H){2|C<3>,3|H<1>}	Si(C[5]C[5,6a]N[5]H)(CH3)3	N[5](C[5]C[5,6a]SiH)(C[5]C[5,6a]HH)(BH3)(CH3){2|C<3>}	119.2455	1.402	2	119.2455	1.966	2	119.2455	1.966	2	119.2455	1.966	2	116.2893	7.870	6	116.2893	7.870	6
474	880	999	0:SP3_SP3_SP3	C[5]	Si	N[5]	4:4:4:1:	4:3:3:2:	4:4:1:1:	C[5]-4:N[5]-4:Si-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5](C[5]C[5]HH)(N[5]C[5]HH)(SiC[6a]2O)(H)	Si(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(OH)	N[5](C[5]C[5]SiH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(SiC[6a]2O)(H){4|H<1>}	Si(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(OH)	N[5](C[5]C[5]SiH)(C[5]C[5]HH)(H)2{4|H<1>}	113.9320	1.739	2	113.9320	3.026	2	113.9320	3.026	2	113.9320	3.026	2	116.2893	7.870	6	116.2893	7.870	6
474	880	999	0:SP3_SP3_SP3	C[5]	Si	N[5]	4:4:4:1:	4:3:3:3:	4:4:1:1:	C[5]-4:N[5]-4:Si-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:H-1:H-1:	C[5](C[5]C[5]HH)(N[5]C[5]HH)(SiC[6a]3)(H)	Si(C[5]C[5]N[5]H)(C[6a]C[6a]2)3	N[5](C[5]C[5]SiH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(SiC[6a]3)(H){4|H<1>}	Si(C[5]C[5]N[5]H)(C[6a]C[6a]2)3	N[5](C[5]C[5]SiH)(C[5]C[5]HH)(H)2{4|H<1>}	114.1020	0.000	1	114.1020	0.000	1	114.1020	0.000	1	114.1020	0.000	1	116.2893	7.870	6	116.2893	7.870	6
474	880	999	0:SP3_SP3_SP3	C[5]	Si	N[5]	4:4:4:1:	4:3:3:4:	4:4:1:1:	C[5]-4:N[5]-4:Si-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5](C[5]C[5]HH)(N[5]C[5]HH)(SiC[6a]2C)(H)	Si(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(CC3)	N[5](C[5]C[5]SiH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(SiC[6a]2C)(H){4|H<1>}	Si(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(CC3)	N[5](C[5]C[5]SiH)(C[5]C[5]HH)(H)2{4|H<1>}	117.2790	0.000	1	117.2790	0.000	1	117.2790	0.000	1	117.2790	0.000	1	116.2893	7.870	6	116.2893	7.870	6
474	882	987	0:SP3_SP-NON_SP3	C[5,5]	P[4,5]	P[5]	3:3:2:4:	4:3:3:	4:3:	P[3,5,5]-3:P[4,5]-3:P[5]-2:C-4:	C[5,5]-4:P[4,5]-3:C[4]-3:	C[5,5]-4:C[5]-3:	C[5,5](P[3,5,5]C[3,5]P[3,5])(P[4,5]P[4,5]C[4])(P[5]C[5])(CC3)	P[4,5](C[5,5]P[3,5,5]P[5]C)(P[4,5]C[3,5]C[4])(C[4]C[4]C)	P[5](C[5,5]P[3,5,5]P[4,5]C)(C[5]P[3,5]C)	C[5,5](P[3,5,5]C[3,5]P[3,5])(P[4,5]P[4,5]C[4])(P[5]C[5])(CC3){1|C<3>,3|C<4>}	P[4,5](C[5,5]P[3,5,5]P[5]C)(P[4,5]C[3,5]C[4])(C[4]C[4]C){1|C<3>,1|P<3>,2|C<4>}	P[5](C[5,5]P[3,5,5]P[4,5]C)(C[5]P[3,5]C){1|C<3>,1|C<4>,1|P<3>}	106.9695	0.630	2	106.9695	0.397	2	106.9695	0.397	2	106.9695	0.397	2	106.9695	0.397	2	106.9695	0.397	2
474	885	930	0:SP3_SP-NON_SP2	C[5,5]	Ga[5,5,6]	C	4:4:3:2:	4:2:2:1:	4:3:2:	C[5,5,6]-4:Ga[5,5,6]-4:C-3:C-2:	C[5,5]-4:I[5,6]-2:I[5,6]-2:I-1:	C[5,5]-4:C-3:C-2:	C[5,5](C[5,5,6]Ga[5,6]2Si)(Ga[5,5,6]I[5,6]2I)(CCC)(CC)	Ga[5,5,6](C[5,5]C[5,5,6]CC)(I[5,6]Ga[5,6])2(I)	C(C[5,5]Ga[5,5,6]C[5,5,6]C)(CGaSi)(CC)	C[5,5](C[5,5,6]Ga[5,6]2Si)(Ga[5,5,6]I[5,6]2I)(CCC)(CC){3|I<1>}	Ga[5,5,6](C[5,5]C[5,5,6]CC)(I[5,6]Ga[5,6])2(I){1|Si<4>,3|I<1>}	C(C[5,5]Ga[5,5,6]C[5,5,6]C)(CGaSi)(CC)	105.7680	0.000	2	105.7680	0.000	2	105.7680	0.000	2	105.7680	0.000	2	105.7680	0.000	2	105.7680	0.000	2
474	885	951	0:SP3_SP-NON_SP-NON	C[5,6]	Ga[5,6]	H	4:4:1:1:	4:4:4:4:	4:	N[5,5,6]-4:Ga[5,6]-4:H-1:H-1:	N[5,5,6]-4:C[5,6]-4:C-4:C-4:	C[5,6]-4:	C[5,6](N[5,5,6]Ga[5,6]C[5,5]C)(Ga[5,6]N[5,5,6]CC)(H)2	Ga[5,6](N[5,5,6]C[5,5]C[5,6]C)(C[5,6]N[5,5,6]HH)(CH3)2	H(C[5,6]N[5,5,6]Ga[5,6]H)	C[5,6](N[5,5,6]Ga[5,6]C[5,5]C)(Ga[5,6]N[5,5,6]CC)(H)2{2|H<1>,4|C<4>}	Ga[5,6](N[5,5,6]C[5,5]C[5,6]C)(C[5,6]N[5,5,6]HH)(CH3)2{1|Ga<4>,1|C<4>,4|H<1>}	H(C[5,6]N[5,5,6]Ga[5,6]H)	112.7340	2.099	2	112.7340	4.405	2	112.7340	4.405	2	112.7340	4.405	2	112.7340	4.405	2	111.1787	8.199	6
474	885	951	0:SP3_SP-NON_SP-NON	C[5]	Ga[5]	H	4:3:3:1:	3:4:4:4:	4:	Ga[5]-4:C[5]-3:C[5]-3:H-1:	N[5,6]-3:C[5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](Ga[5]N[5,6]C[5]2)(C[5]C[5]H)2(H)	Ga[5](N[5,6]C[5,6]C[6])(C[5]Si[5]Si2)(C[5]C[5]2H)2	H(C[5]Ga[5]C[5]2)	C[5](Ga[5]N[5,6]C[5]2)(C[5]C[5]H)2(H){3|Si<4>,3|H<1>,4|C<3>}	Ga[5](N[5,6]C[5,6]C[6])(C[5]Si[5]Si2)(C[5]C[5]2H)2{2|C<4>,5|H<1>,6|C<3>}	H(C[5]Ga[5]C[5]2)	110.0625	5.373	2	110.0625	28.872	2	110.0625	28.872	2	110.0625	28.872	2	110.4010	9.777	4	111.1787	8.199	6
474	885	951	0:SP3_SP-NON_SP-NON	C[5]	Ga[5]	H	4:4:1:1:	3:4:1:1:	4:	Ga[5]-4:Si[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:Cl-1:Cl-1:	C[5]-4:	C[5](Ga[5]N[5,6]Cl2)(Si[5]C[5,6]CC)(H)2	Ga[5](N[5,6]C[5,6]C[6])(C[5]Si[5]HH)(Cl)2	H(C[5]Ga[5]Si[5]H)	C[5](Ga[5]N[5,6]Cl2)(Si[5]C[5,6]CC)(H)2{2|C<3>}	Ga[5](N[5,6]C[5,6]C[6])(C[5]Si[5]HH)(Cl)2{1|H<1>,2|C<3>,2|C<4>}	H(C[5]Ga[5]Si[5]H)	110.7395	0.016	2	110.7395	0.000	2	110.7395	0.000	2	110.7395	0.000	2	110.4010	9.777	4	111.1787	8.199	6
474	885	983	0:SP3_SP-NON_SP1	C[5,5]	Ga[5,5,6]	C	4:4:3:2:	4:2:2:1:	4:2:	C[5,5,6]-4:Ga[5,5,6]-4:C-3:C-2:	C[5,5]-4:I[5,6]-2:I[5,6]-2:I-1:	C[5,5]-4:C-2:	C[5,5](C[5,5,6]Ga[5,6]2Si)(Ga[5,5,6]I[5,6]2I)(CCC)(CC)	Ga[5,5,6](C[5,5]C[5,5,6]CC)(I[5,6]Ga[5,6])2(I)	C(C[5,5]Ga[5,5,6]C[5,5,6]C)(CSi)	C[5,5](C[5,5,6]Ga[5,6]2Si)(Ga[5,5,6]I[5,6]2I)(CCC)(CC){3|I<1>}	Ga[5,5,6](C[5,5]C[5,5,6]CC)(I[5,6]Ga[5,6])2(I){1|Si<4>,3|I<1>}	C(C[5,5]Ga[5,5,6]C[5,5,6]C)(CSi)	101.6480	0.000	2	101.6480	0.000	2	101.6480	0.000	2	101.6480	0.000	2	101.6480	0.000	2	101.6480	0.000	2
474	885	999	5:SP3_SP-NON_SP3	C[5,6]	Ga[5,6]	N[5,5,6]	4:4:1:1:	4:4:4:4:	4:4:4:4:	N[5,5,6]-4:Ga[5,6]-4:H-1:H-1:	N[5,5,6]-4:C[5,6]-4:C-4:C-4:	C[5,5]-4:C[5,6]-4:Ga[5,6]-4:C-4:	C[5,6](N[5,5,6]Ga[5,6]C[5,5]C)(Ga[5,6]N[5,5,6]CC)(H)2	Ga[5,6](N[5,5,6]C[5,5]C[5,6]C)(C[5,6]N[5,5,6]HH)(CH3)2	N[5,5,6](C[5,5]N[5,5,6]HH)(C[5,6]Ga[5,6]HH)(Ga[5,6]C[5,6]CC)(CH3)	C[5,6](N[5,5,6]Ga[5,6]C[5,5]C)(Ga[5,6]N[5,5,6]CC)(H)2{2|H<1>,4|C<4>}	Ga[5,6](N[5,5,6]C[5,5]C[5,6]C)(C[5,6]N[5,5,6]HH)(CH3)2{1|Ga<4>,1|C<4>,4|H<1>}	N[5,5,6](C[5,5]N[5,5,6]HH)(C[5,6]Ga[5,6]HH)(Ga[5,6]C[5,6]CC)(CH3){2|H<1>,3|C<4>}	106.2960	0.000	1	106.2960	0.000	1	106.2960	0.000	1	106.2960	0.000	1	106.2960	0.000	1	106.2960	0.000	1
474	887	930	0:SP3_SP2_SP3	C[5,6]	S	C	4:4:3:3:	4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-4:S-3:C-3:	C[5,6]-4:C[6a]-3:O-1:	C[5,6]-4:N-3:O-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]ClH)(SC[6a]O)(CNO)	S(C[5,6]C[5,5,6]C[5,6]C)(C[6a]C[6a]2)(O)	C(C[5,6]C[5,5,6]C[5,6]S)(NCH)(O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]ClH)(SC[6a]O)(CNO){1|C<3>,4|H<1>}	S(C[5,6]C[5,5,6]C[5,6]C)(C[6a]C[6a]2)(O)	C(C[5,6]C[5,5,6]C[5,6]S)(NCH)(O)	109.5450	0.000	1	109.5450	0.000	1	109.5450	0.000	1	109.5450	0.000	1	109.5450	0.000	1	109.4525	8.187	4
474	887	930	0:SP3_SP2_SP3	C[5]	S	C	4:4:3:3:	3:4:1:	4:2:1:	C[5]-4:C[5]-4:S-3:C-3:	C[6a]-3:C[5]-4:O-1:	C[5]-4:O-2:O-1:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(SC[6a]O)(COO)	S(C[6a]C[6a]2)(C[5]C[5]2C)(O)	C(C[5]C[5]2S)(OC)(O)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(SC[6a]O)(COO){1|C<4>,1|O<1>,2|C<3>}	S(C[6a]C[6a]2)(C[5]C[5]2C)(O)	C(C[5]C[5]2S)(OC)(O)	111.4380	0.396	2	111.4380	0.157	2	111.4380	0.157	2	111.4380	0.157	2	109.4217	12.275	3	109.4525	8.187	4
474	887	930	0:SP3_SP2_SP3	C[5]	S	C	4:4:3:3:	4:3:1:	4:2:1:	C[5,6]-4:C[5]-4:S-3:C-3:	C[5]-4:C[6a]-3:O-1:	C[5]-4:O-2:O-1:	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]CH)(SC[6a]O)(COO)	S(C[5]C[5,6]C[5]C)(C[6a]C[6a]2)(O)	C(C[5]C[5,6]C[5]S)(OC)(O)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]CH)(SC[6a]O)(COO){1|H<1>,4|C<3>}	S(C[5]C[5,6]C[5]C)(C[6a]C[6a]2)(O)	C(C[5]C[5,6]C[5]S)(OC)(O)	105.3890	0.000	1	105.3890	0.000	1	105.3890	0.000	1	105.3890	0.000	1	109.4217	12.275	3	109.4525	8.187	4
474	887	951	0:SP3_SP-NON_SP3	C[5,5]	S	H	4:4:3:1:	4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:S-3:H-1:	C[5,5]-4:C[6a]-3:O-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]2H)2(SC[6a]O)(H)	S(C[5,5]C[5,5,6]2H)(C[6a]C[6a]2)(O)	H(C[5,5]C[5,5,6]2S)	C[5,5](C[5,5,6]C[5,6]2H)2(SC[6a]O)(H){1|C<3>,5|H<1>}	S(C[5,5]C[5,5,6]2H)(C[6a]C[6a]2)(O)	H(C[5,5]C[5,5,6]2S)	110.9230	0.132	2	110.9230	0.017	2	110.9230	0.017	2	110.9230	0.017	2	110.9230	0.017	2	108.5068	8.097	10
474	887	951	0:SP3_SP-NON_SP3	C[5,6]	S	H	4:4:3:1:	4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:S-3:H-1:	C[5,6]-4:N-2:O-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(SNO)(H)	S(C[5,6]C[5,5,6]C[5,6]H)(NC)(O)	H(C[5,6]C[5,5,6]C[5,6]S)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(SNO)(H){2|H<1>,4|C<4>}	S(C[5,6]C[5,5,6]C[5,6]H)(NC)(O)	H(C[5,6]C[5,5,6]C[5,6]S)	107.0990	0.000	1	107.0990	0.000	1	107.0990	0.000	1	107.0990	0.000	1	106.2730	8.430	3	108.5068	8.097	10
474	887	951	0:SP3_SP-NON_SP3	C[5,6]	S	H	4:4:3:1:	4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:S-3:H-1:	C[5,6]-4:C-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(SCC)(H)	S(C[5,6]C[5,5,6]C[5,6]H)(CCHH)(CH3)	H(C[5,6]C[5,5,6]C[5,6]S)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(SCC)(H){2|H<1>,4|C<4>}	S(C[5,6]C[5,5,6]C[5,6]H)(CCHH)(CH3)	H(C[5,6]C[5,5,6]C[5,6]S)	105.8600	3.980	2	105.8600	15.837	2	105.8600	15.837	2	105.8600	15.837	2	106.2730	8.430	3	108.5068	8.097	10
474	887	951	0:SP3_SP-NON_SP3	C[5]	S	H	3:4:3:1:	4:3:1:	4:	C[5,6a]-3:C[5]-4:S-3:H-1:	C[5]-4:C[6a]-3:O-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(SC[6a]O)(H)	S(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(O)	H(C[5]C[5,6a]C[5]S)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(SC[6a]O)(H){1|O<2>,2|C<3>,2|H<1>}	S(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(O)	H(C[5]C[5,6a]C[5]S)	110.5560	0.000	1	110.5560	0.000	1	110.5560	0.000	1	110.5560	0.000	1	108.8806	7.163	5	108.5068	8.097	10
474	887	951	0:SP3_SP-NON_SP3	C[5]	S	H	4:4:3:1:	3:4:1:	4:	C[5]-4:C[5]-4:S-3:H-1:	C[5a]-3:C[5]-4:O-1:	C[5]-4:	C[5](C[5]C[5]HH)2(SC[5a]O)(H)	S(C[5a]C[5a,6a]C[5a])(C[5]C[5]2H)(O)	H(C[5]C[5]2S)	C[5](C[5]C[5]HH)2(SC[5a]O)(H){4|H<1>}	S(C[5a]C[5a,6a]C[5a])(C[5]C[5]2H)(O)	H(C[5]C[5]2S)	109.9575	0.378	2	109.9575	0.143	2	109.9575	0.143	2	108.4617	8.381	4	108.8806	7.163	5	108.5068	8.097	10
474	887	951	0:SP3_SP-NON_SP3	C[5]	S	H	4:4:3:1:	3:4:1:	4:	C[5]-4:C[5]-4:S-3:H-1:	C[6a]-3:C[5]-4:O-1:	C[5]-4:	C[5](C[5]C[5,6a]HO)2(SC[6a]O)(H)	S(C[6a]C[6a]2)(C[5]C[5]2H)(O)	H(C[5]C[5]2S)	C[5](C[5]C[5,6a]HO)2(SC[6a]O)(H){2|C<3>}	S(C[6a]C[6a]2)(C[5]C[5]2H)(O)	H(C[5]C[5]2S)	109.7990	0.000	1	109.7990	0.000	1	106.9660	16.052	2	108.4617	8.381	4	108.8806	7.163	5	108.5068	8.097	10
474	887	951	0:SP3_SP-NON_SP3	C[5]	S	H	4:4:3:1:	3:4:1:	4:	C[5]-4:C[5]-4:S-3:H-1:	C[6a]-3:C[5]-4:O-1:	C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(SC[6a]O)(H)	S(C[6a]C[6a]2)(C[5]C[5]2H)(O)	H(C[5]C[5]2S)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(SC[6a]O)(H){2|C<3>,2|H<1>}	S(C[6a]C[6a]2)(C[5]C[5]2H)(O)	H(C[5]C[5]2S)	104.1330	0.000	1	104.1330	0.000	1	106.9660	16.052	2	108.4617	8.381	4	108.8806	7.163	5	108.5068	8.097	10
474	887	959	0:SP3_SP3_SP3	C[5,5]	S	S[5]	4:3:4:3:	4:4:1:	4:2:1:1:	C[5,5]-4:C[5]-3:S[5]-4:S-3:	C[5,5]-4:C-4:O-1:	C[5,5]-4:N[5]-2:O-1:O-1:	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5]C[6a]N[5])(S[5]N[5]OO)(SCO)	S(C[5,5]C[5,5]C[5]S[5])(CH3)(O)	S[5](C[5,5]C[5,5]C[5]S)(N[5]C[5])(O)2	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5]C[6a]N[5])(S[5]N[5]OO)(SCO){1|N<3>,4|C<3>}	S(C[5,5]C[5,5]C[5]S[5])(CH3)(O)	S[5](C[5,5]C[5,5]C[5]S)(N[5]C[5])(O)2{1|N<2>,1|N<3>,1|O<2>,2|C<3>}	109.7610	2.062	2	109.7610	4.252	2	109.7610	4.252	2	109.7610	4.252	2	110.4210	3.433	3	110.4210	3.433	3
474	887	959	0:SP3_SP3_SP3	C[5,5]	S	S[5]	4:4:3:3:	4:4:1:	4:2:1:1:	C[5,5]-4:S[5]-4:N[5]-3:S-3:	C[5,5]-4:C-4:O-1:	C[5,5]-4:N[5]-2:O-1:O-1:	C[5,5](C[5,5]C[6a]C[5]N[5])(S[5]N[5]OO)(N[5]N[5]H)(SCO)	S(C[5,5]C[5,5]N[5]S[5])(CH3)(O)	S[5](C[5,5]C[5,5]N[5]S)(N[5]C[5])(O)2	C[5,5](C[5,5]C[6a]C[5]N[5])(S[5]N[5]OO)(N[5]N[5]H)(SCO){1|N<3>,2|C<3>}	S(C[5,5]C[5,5]N[5]S[5])(CH3)(O)	S[5](C[5,5]C[5,5]N[5]S)(N[5]C[5])(O)2{1|C<3>,1|H<1>,1|N<3>,2|N<2>}	111.7410	0.000	1	111.7410	0.000	1	111.7410	0.000	1	111.7410	0.000	1	110.4210	3.433	3	110.4210	3.433	3
474	887	983	0:SP3_SP1_SP3	C[5,6]	S	C	4:4:3:2:	4:3:1:	4:1:	C[5,5,6]-4:C[5,6]-4:S-3:C-2:	C[5,6]-4:C[6a]-3:O-1:	C[5,6]-4:N-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CC)(SC[6a]O)(CN)	S(C[5,6]C[5,5,6]C[5,6]C)(C[6a]C[6a]2)(O)	C(C[5,6]C[5,5,6]C[5,6]S)(N)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CC)(SC[6a]O)(CN){1|C<3>,4|H<1>}	S(C[5,6]C[5,5,6]C[5,6]C)(C[6a]C[6a]2)(O)	C(C[5,6]C[5,5,6]C[5,6]S)(N)	107.5460	0.000	1	107.5460	0.000	1	107.5460	0.000	1	107.5460	0.000	1	107.5460	0.000	1	107.5460	0.000	1
474	888	951	0:SP3_SP-NON_SP2	C[5]	Se[5,5]	H	3:4:1:1:	3:4:4:	4:	Se[5,5]-3:C[5]-4:H-1:H-1:	Se[5,5]-3:C[5]-4:C[5]-4:	C[5]-4:	C[5](Se[5,5]Se[5,5]C[5])(C[5]C[5]HH)(H)2	Se[5,5](Se[5,5]C[5]2)(C[5]C[5]HH)2	H(C[5]Se[5,5]C[5]H)	C[5](Se[5,5]Se[5,5]C[5])(C[5]C[5]HH)(H)2{2|C<4>,4|H<1>}	Se[5,5](Se[5,5]C[5]2)(C[5]C[5]HH)2{8|H<1>}	H(C[5]Se[5,5]C[5]H)	109.5649	0.486	7	109.5649	0.236	7	109.5649	0.236	7	109.5649	0.236	7	109.5649	0.236	7	110.0527	0.419	13
474	888	951	0:SP3_SP-NON_SP2	C[5]	Se[5]	H	3:3:1:1:	4:4:4:	4:	C[5,6a]-3:Se[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(Se[5]C[5]C)(H)2	Se[5](C[5]C[5,6a]HH)2(CH3)	H(C[5]C[5,6a]Se[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(Se[5]C[5]C)(H)2{2|C<3>,3|H<1>}	Se[5](C[5]C[5,6a]HH)2(CH3){2|C<3>}	H(C[5]C[5,6a]Se[5]H)	110.6218	0.033	6	110.6218	0.001	6	110.6218	0.001	6	110.6218	0.001	6	110.6218	0.001	6	110.0527	0.419	13
474	891	891	0:SP3_SP2_SP2	C[5,5]	S[5]	S[5]	3:3:2:2:	4:3:	4:3:	N[5]-3:N[5]-3:S[5]-2:S[5]-2:	C[5,5]-4:C[5]-3:	C[5,5]-4:C[5]-3:	C[5,5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(S[5]C[5])2	S[5](C[5,5]N[5]2S[5])(C[5]C[5]C)	S[5](C[5,5]N[5]2S[5])(C[5]C[6a]N[5])	C[5,5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(S[5]C[5])2{1|O<1>,6|C<3>}	S[5](C[5,5]N[5]2S[5])(C[5]C[5]C){1|N<2>,1|O<1>,3|C<3>}	S[5](C[5,5]N[5]2S[5])(C[5]C[6a]N[5]){6|C<3>}	108.2580	0.000	1	108.2580	0.000	1	109.1115	1.457	2	109.1115	1.457	2	109.1115	1.457	2	109.1115	1.457	2
474	891	891	0:SP3_SP2_SP2	C[5,5]	S[5]	S[5]	3:3:2:2:	4:3:	4:3:	N[5]-3:N[5]-3:S[5]-2:S[5]-2:	C[5,5]-4:C[5]-3:	C[5,5]-4:C[5]-3:	C[5,5](N[5]C[6a]N[5])2(S[5]C[5])2	S[5](C[5,5]N[5]2S[5])(C[5]C[6a]N[5])	S[5](C[5,5]N[5]2S[5])(C[5]C[6a]N[5])	C[5,5](N[5]C[6a]N[5])2(S[5]C[5])2{6|C<3>}	S[5](C[5,5]N[5]2S[5])(C[5]C[6a]N[5]){1|N<2>,5|C<3>}	S[5](C[5,5]N[5]2S[5])(C[5]C[6a]N[5]){1|N<2>,5|C<3>}	109.9650	0.000	1	109.9650	0.000	1	109.1115	1.457	2	109.1115	1.457	2	109.1115	1.457	2	109.1115	1.457	2
474	891	891	0:SP3_SP3_SP3	C[3x5,6]	S[5,5]	S[5]	3:4:2:2:	4:4:	4:4:	N[5,5,6]-3:C[5,6]-4:S[5,5]-2:S[5]-2:	C[3x5,6]-4:C[5,5,6]-4:	C[3x5,6]-4:C[5]-4:	C[3x5,6](N[5,5,6]C[5,6]C[5])(C[5,6]C[5,6]CH)(S[5,5]C[5,5,6])(S[5]C[5])	S[5,5](C[3x5,6]N[5,5,6]C[5,6]S[5])(C[5,5,6]C[5,6]2C[6a])	S[5](C[3x5,6]N[5,5,6]C[5,6]S[5,5])(C[5]C[5]HH)	C[3x5,6](N[5,5,6]C[5,6]C[5])(C[5,6]C[5,6]CH)(S[5,5]C[5,5,6])(S[5]C[5]){1|C<3>,1|O<1>,6|H<1>}	S[5,5](C[3x5,6]N[5,5,6]C[5,6]S[5])(C[5,5,6]C[5,6]2C[6a]){1|C<2>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	S[5](C[3x5,6]N[5,5,6]C[5,6]S[5,5])(C[5]C[5]HH){1|C<2>,1|C<3>,2|C<4>,3|H<1>}	118.1435	2.030	2	118.2750	2.113	3	118.1405	1.481	4	118.1405	1.481	4	117.2812	2.176	12	117.2812	2.176	12
474	891	891	0:SP3_SP3_SP3	C[3x5,6]	S[5,5]	S[5]	3:4:2:2:	4:4:	4:4:	N[5,5,6]-3:C[5,6]-4:S[5,5]-2:S[5]-2:	C[3x5,6]-4:C[5,5,6]-4:	C[3x5,6]-4:C[5]-4:	C[3x5,6](N[5,5,6]C[5,6]C[5])(C[5,6]C[5,6]CH)(S[5,5]C[5,5,6])(S[5]C[5])	S[5,5](C[3x5,6]N[5,5,6]C[5,6]S[5])(C[5,5,6]C[5,6]2C[6a])	S[5](C[3x5,6]N[5,5,6]C[5,6]S[5,5])(C[5]C[5]HH)	C[3x5,6](N[5,5,6]C[5,6]C[5])(C[5,6]C[5,6]CH)(S[5,5]C[5,5,6])(S[5]C[5]){1|O<1>,2|C<3>,5|H<1>}	S[5,5](C[3x5,6]N[5,5,6]C[5,6]S[5])(C[5,5,6]C[5,6]2C[6a]){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	S[5](C[3x5,6]N[5,5,6]C[5,6]S[5,5])(C[5]C[5]HH){2|C<3>,2|C<4>,3|H<1>}	118.5380	0.000	1	118.2750	2.113	3	118.1405	1.481	4	118.1405	1.481	4	117.2812	2.176	12	117.2812	2.176	12
474	891	891	0:SP3_SP3_SP3	C[3x5,6]	S[5,5]	S[5]	3:4:2:2:	4:4:	4:4:	N[5,5,6]-3:C[5,6]-4:S[5,5]-2:S[5]-2:	C[3x5,6]-4:C[5,5,6]-4:	C[3x5,6]-4:C[5]-4:	C[3x5,6](N[5,5,6]C[5,6]C[5])(C[5,6]C[5,6]HN)(S[5,5]C[5,5,6])(S[5]C[5])	S[5,5](C[3x5,6]N[5,5,6]C[5,6]S[5])(C[5,5,6]C[5,6]2C[6a])	S[5](C[3x5,6]N[5,5,6]C[5,6]S[5,5])(C[5]C[5]HH)	C[3x5,6](N[5,5,6]C[5,6]C[5])(C[5,6]C[5,6]HN)(S[5,5]C[5,5,6])(S[5]C[5]){1|O<1>,2|C<3>,5|H<1>}	S[5,5](C[3x5,6]N[5,5,6]C[5,6]S[5])(C[5,5,6]C[5,6]2C[6a]){1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	S[5](C[3x5,6]N[5,5,6]C[5,6]S[5,5])(C[5]C[5]HH){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	117.7370	0.000	1	117.7370	0.000	1	118.1405	1.481	4	118.1405	1.481	4	117.2812	2.176	12	117.2812	2.176	12
474	891	891	0:SP3_SP3_SP3	C[3x5,6]	S[5,5]	S[5]	4:3:2:2:	4:4:	4:4:	C[5,5,6]-4:N[5,5,6]-3:S[5,5]-2:S[5]-2:	C[3x5,6]-4:C[5,5,6]-4:	C[3x5,6]-4:C[5]-4:	C[3x5,6](C[5,5,6]C[5,5,6]C[5]H)(N[5,5,6]C[5,6]C[5])(S[5,5]C[5,5,6])(S[5]C[5])	S[5,5](C[3x5,6]C[5,5,6]N[5,5,6]S[5])(C[5,5,6]C[5,5,6]C[5,6]C[6a])	S[5](C[3x5,6]C[5,5,6]N[5,5,6]S[5,5])(C[5]C[5]HH)	C[3x5,6](C[5,5,6]C[5,5,6]C[5]H)(N[5,5,6]C[5,6]C[5])(S[5,5]C[5,5,6])(S[5]C[5]){1|C<4>,1|N<3>,2|C<3>,2|O<1>,4|H<1>}	S[5,5](C[3x5,6]C[5,5,6]N[5,5,6]S[5])(C[5,5,6]C[5,5,6]C[5,6]C[6a]){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	S[5](C[3x5,6]C[5,5,6]N[5,5,6]S[5,5])(C[5]C[5]HH){2|C<3>,2|H<1>,3|C<4>}	118.1900	0.025	2	117.4558	2.525	5	117.4558	2.525	5	116.8515	2.152	8	117.2812	2.176	12	117.2812	2.176	12
474	891	891	0:SP3_SP3_SP3	C[3x5,6]	S[5,5]	S[5]	4:3:2:2:	4:4:	4:4:	C[5,5,6]-4:N[5,5,6]-3:S[5,5]-2:S[5]-2:	C[3x5,6]-4:C[5,5,6]-4:	C[3x5,6]-4:C[5]-4:	C[3x5,6](C[5,5,6]C[5,5,6]C[5]H)(N[5,5,6]C[5,6]C[5])(S[5,5]C[5,5,6])(S[5]C[5])	S[5,5](C[3x5,6]C[5,5,6]N[5,5,6]S[5])(C[5,5,6]C[5,5,6]C[5,6]C[6a])	S[5](C[3x5,6]C[5,5,6]N[5,5,6]S[5,5])(C[5]C[5]HH)	C[3x5,6](C[5,5,6]C[5,5,6]C[5]H)(N[5,5,6]C[5,6]C[5])(S[5,5]C[5,5,6])(S[5]C[5]){1|N<3>,2|C<3>,2|O<1>,5|H<1>}	S[5,5](C[3x5,6]C[5,5,6]N[5,5,6]S[5])(C[5,5,6]C[5,5,6]C[5,6]C[6a]){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	S[5](C[3x5,6]C[5,5,6]N[5,5,6]S[5,5])(C[5]C[5]HH){2|C<3>,2|C<4>,3|H<1>}	116.9663	2.037	3	117.4558	2.525	5	117.4558	2.525	5	116.8515	2.152	8	117.2812	2.176	12	117.2812	2.176	12
474	891	891	0:SP3_SP3_SP3	C[3x5,6]	S[5,5]	S[5]	4:3:2:2:	4:4:	4:4:	C[5,6]-4:N[5,5,6]-3:S[5,5]-2:S[5]-2:	C[3x5,6]-4:C[5,5,6]-4:	C[3x5,6]-4:C[5]-4:	C[3x5,6](C[5,6]S[5,6]C[6a]C)(N[5,5,6]C[5,6]C[5])(S[5,5]C[5,5,6])(S[5]C[5])	S[5,5](C[3x5,6]N[5,5,6]C[5,6]S[5])(C[5,5,6]C[5,6]S[5,6]C[6a])	S[5](C[3x5,6]N[5,5,6]C[5,6]S[5,5])(C[5]C[5]HH)	C[3x5,6](C[5,6]S[5,6]C[6a]C)(N[5,5,6]C[5,6]C[5])(S[5,5]C[5,5,6])(S[5]C[5]){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	S[5,5](C[3x5,6]N[5,5,6]C[5,6]S[5])(C[5,5,6]C[5,6]S[5,6]C[6a]){1|O<1>,2|C<4>,4|C<3>}	S[5](C[3x5,6]N[5,5,6]C[5,6]S[5,5])(C[5]C[5]HH){1|H<1>,1|S<2>,2|C<4>,3|C<3>}	116.0800	0.000	1	115.8443	0.049	3	115.8443	0.049	3	116.8515	2.152	8	117.2812	2.176	12	117.2812	2.176	12
474	891	891	0:SP3_SP3_SP3	C[3x5,6]	S[5,5]	S[5]	4:3:2:2:	4:4:	4:4:	C[5,6]-4:N[5,5,6]-3:S[5,5]-2:S[5]-2:	C[3x5,6]-4:C[5,5,6]-4:	C[3x5,6]-4:C[5]-4:	C[3x5,6](C[5,6]S[5,6]C[6a]C)(N[5,5,6]C[5,6]C[5])(S[5,5]C[5,5,6])(S[5]C[5])	S[5,5](C[3x5,6]N[5,5,6]C[5,6]S[5])(C[5,5,6]C[5,6]S[5,6]C[6a])	S[5](C[3x5,6]N[5,5,6]C[5,6]S[5,5])(C[5]C[5]HH)	C[3x5,6](C[5,6]S[5,6]C[6a]C)(N[5,5,6]C[5,6]C[5])(S[5,5]C[5,5,6])(S[5]C[5]){1|O<1>,3|C<3>,4|H<1>}	S[5,5](C[3x5,6]N[5,5,6]C[5,6]S[5])(C[5,5,6]C[5,6]S[5,6]C[6a]){1|O<1>,2|C<4>,4|C<3>}	S[5](C[3x5,6]N[5,5,6]C[5,6]S[5,5])(C[5]C[5]HH){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	115.6410	0.000	1	115.8443	0.049	3	115.8443	0.049	3	116.8515	2.152	8	117.2812	2.176	12	117.2812	2.176	12
474	891	891	0:SP3_SP3_SP3	C[3x5,6]	S[5,5]	S[5]	4:3:2:2:	4:4:	4:4:	C[5,6]-4:N[5,5,6]-3:S[5,5]-2:S[5]-2:	C[3x5,6]-4:C[5,5,6]-4:	C[3x5,6]-4:C[5]-4:	C[3x5,6](C[5,6]S[5,6]C[6a]C)(N[5,5,6]C[5,6]C[5])(S[5,5]C[5,5,6])(S[5]C[5])	S[5,5](C[3x5,6]N[5,5,6]C[5,6]S[5])(C[5,5,6]C[5,6]S[5,6]C[6a])	S[5](C[3x5,6]N[5,5,6]C[5,6]S[5,5])(C[5]C[5]HH)	C[3x5,6](C[5,6]S[5,6]C[6a]C)(N[5,5,6]C[5,6]C[5])(S[5,5]C[5,5,6])(S[5]C[5]){1|O<1>,3|H<1>,4|C<3>}	S[5,5](C[3x5,6]N[5,5,6]C[5,6]S[5])(C[5,5,6]C[5,6]S[5,6]C[6a]){1|O<1>,2|C<4>,4|C<3>}	S[5](C[3x5,6]N[5,5,6]C[5,6]S[5,5])(C[5]C[5]HH){1|C<4>,1|H<1>,1|S<2>,4|C<3>}	115.8120	0.000	1	115.8443	0.049	3	115.8443	0.049	3	116.8515	2.152	8	117.2812	2.176	12	117.2812	2.176	12
474	891	891	5:SP3_SP2_SP2	C[5,5]	S[5]	S[5]	2:2:2:2:	3:4:	3:4:	S[5]-2:S[5]-2:S[5]-2:S[5]-2:	C[5,6a]-3:C[5,5]-4:	C[5,6a]-3:C[5,5]-4:	C[5,5](S[5]C[5,6a])4	S[5](C[5,6a]C[5,6a]C[6a])(C[5,5]S[5]3)	S[5](C[5,6a]C[5,6a]C[6a])(C[5,5]S[5]3)	C[5,5](S[5]C[5,6a])4{4|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5,5]S[5]3){1|H<1>,4|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5,5]S[5]3){1|H<1>,4|C<3>}	110.4290	3.314	4	110.4290	10.982	4	110.4290	10.982	4	110.4290	10.982	4	108.8016	8.225	9	108.0044	6.926	44
474	891	891	5:SP3_SP2_SP2	C[5,5]	S[5]	S[5]	3:2:2:3:	4:3:	4:3:	C[5,6a]-3:S[5]-2:S[5]-2:C[5]-3:	C[5,5]-4:C[5,6a]-3:	C[5,5]-4:C[5,6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a])2(C[5]C[5]O)	S[5](C[5,5]C[5,6a]C[5]S[5])(C[5,6a]C[5,6a]C[6a])	S[5](C[5,5]C[5,6a]C[5]S[5])(C[5,6a]C[5,6a]C[6a])	C[5,5](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a])2(C[5]C[5]O){1|H<1>,1|O<1>,4|C<3>}	S[5](C[5,5]C[5,6a]C[5]S[5])(C[5,6a]C[5,6a]C[6a]){1|H<1>,1|O<1>,5|C<3>}	S[5](C[5,5]C[5,6a]C[5]S[5])(C[5,6a]C[5,6a]C[6a]){1|H<1>,1|O<1>,5|C<3>}	107.9540	0.000	1	107.9540	0.000	1	107.9540	0.000	1	107.9540	0.000	1	108.8016	8.225	9	108.0044	6.926	44
474	891	891	5:SP3_SP2_SP2	C[5,5]	S[5]	S[5]	3:3:2:2:	3:4:	3:4:	C[5]-3:C[5]-3:S[5]-2:S[5]-2:	C[5,5]-3:C[5,5]-4:	C[5,5]-3:C[5,5]-4:	C[5,5](C[5]C[5,6a]O)2(S[5]C[5,5])2	S[5](C[5,5]C[5,5]S[5])(C[5,5]C[5]2S[5])	S[5](C[5,5]C[5,5]S[5])(C[5,5]C[5]2S[5])	C[5,5](C[5]C[5,6a]O)2(S[5]C[5,5])2{2|C<3>,2|S<2>}	S[5](C[5,5]C[5,5]S[5])(C[5,5]C[5]2S[5]){1|S<2>,2|O<1>,3|C<3>}	S[5](C[5,5]C[5,5]S[5])(C[5,5]C[5]2S[5]){1|S<2>,2|O<1>,3|C<3>}	108.5140	0.000	1	108.5140	0.000	1	108.5140	0.000	1	108.4113	0.455	3	108.8016	8.225	9	108.0044	6.926	44
474	891	891	5:SP3_SP2_SP2	C[5,5]	S[5]	S[5]	3:3:2:2:	3:4:	3:4:	C[5]-3:C[5]-3:S[5]-2:S[5]-2:	C[5,5a]-3:C[5,5]-4:	C[5,5a]-3:C[5,5]-4:	C[5,5](C[5]C[5,6a]O)2(S[5]C[5,5a])2	S[5](C[5,5a]C[5,5a]S[5a])(C[5,5]C[5]2S[5])	S[5](C[5,5a]C[5,5a]S[5a])(C[5,5]C[5]2S[5])	C[5,5](C[5]C[5,6a]O)2(S[5]C[5,5a])2{2|C<3>,2|S<2>}	S[5](C[5,5a]C[5,5a]S[5a])(C[5,5]C[5]2S[5]){1|S<2>,2|O<1>,3|C<3>}	S[5](C[5,5a]C[5,5a]S[5a])(C[5,5]C[5]2S[5]){1|S<2>,2|O<1>,3|C<3>}	107.6910	0.000	1	107.6910	0.000	1	107.6910	0.000	1	108.4113	0.455	3	108.8016	8.225	9	108.0044	6.926	44
474	891	891	5:SP3_SP2_SP2	C[5,5]	S[5]	S[5]	3:3:2:2:	3:4:	3:4:	C[5]-3:C[5]-3:S[5]-2:S[5]-2:	C[5,6a]-3:C[5,5]-4:	C[5,6a]-3:C[5,5]-4:	C[5,5](C[5]C[5,6a]O)2(S[5]C[5,6a])2	S[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])	S[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])	C[5,5](C[5]C[5,6a]O)2(S[5]C[5,6a])2{4|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5]){1|H<1>,2|O<1>,4|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5]){1|H<1>,2|O<1>,4|C<3>}	109.0290	0.000	1	109.0290	0.000	1	109.0290	0.000	1	108.4113	0.455	3	108.8016	8.225	9	108.0044	6.926	44
474	891	891	5:SP3_SP2_SP2	C[5,5]	S[5]	S[5]	3:4:2:2:	4:3:	4:3:	C[5]-3:C[5]-4:S[5]-2:S[5]-2:	C[5,5]-4:C[5]-3:	C[5,5]-4:C[5]-3:	C[5,5](C[5]C[5,5]C[5])(C[5]C[5,5]HH)(S[5]C[5])2	S[5](C[5,5]C[5]2S[5])(C[5]C[5]H)	S[5](C[5,5]C[5]2S[5])(C[5]C[5]H)	C[5,5](C[5]C[5,5]C[5])(C[5]C[5,5]HH)(S[5]C[5])2{2|H<1>,4|S<2>}	S[5](C[5,5]C[5]2S[5])(C[5]C[5]H){3|C<3>,3|H<1>}	S[5](C[5,5]C[5]2S[5])(C[5]C[5]H){3|C<3>,3|H<1>}	104.3100	0.000	1	104.3100	0.000	1	104.3100	0.000	1	104.3100	0.000	1	108.8016	8.225	9	108.0044	6.926	44
474	891	891	5:SP3_SP2_SP2	C[5,6]	S[5]	S[5]	2:3:2:2:	4:3:	4:3:	S[6]-2:C[6]-3:S[5]-2:S[5]-2:	C[5,6]-4:C[5]-3:	C[5,6]-4:C[5]-3:	C[5,6](S[6]C[5,6,6])(C[6]S[6]O)(S[5]C[5])2	S[5](C[5,6]C[6]S[5]S[6])(C[5]C[5]C)	S[5](C[5,6]C[6]S[5]S[6])(C[5]C[5]C)	C[5,6](S[6]C[5,6,6])(C[6]S[6]O)(S[5]C[5])2{1|H<1>,2|C<3>,2|C<4>}	S[5](C[5,6]C[6]S[5]S[6])(C[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|S<2>}	S[5](C[5,6]C[6]S[5]S[6])(C[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|S<2>}	107.1120	0.000	1	107.1120	0.000	1	107.1120	0.000	1	107.1120	0.000	1	108.6666	0.822	9	108.0044	6.926	44
474	891	891	5:SP3_SP2_SP2	C[5,6]	S[5]	S[5]	4:2:2:2:	4:3:	4:3:	C[5,6]-4:O[6]-2:S[5]-2:S[5]-2:	C[5,6]-4:C[5]-3:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]O[6]S[5]2)(O[6]C[6,6a])(S[5]C[5])2	S[5](C[5,6]C[5,6]O[6]S[5])(C[5]C[5]H)	S[5](C[5,6]C[5,6]O[6]S[5])(C[5]C[5]H)	C[5,6](C[5,6]O[6]S[5]2)(O[6]C[6,6a])(S[5]C[5])2{2|H<1>,4|C<3>}	S[5](C[5,6]C[5,6]O[6]S[5])(C[5]C[5]H){1|C<3>,1|H<1>,1|O<2>,2|S<2>}	S[5](C[5,6]C[5,6]O[6]S[5])(C[5]C[5]H){1|C<3>,1|H<1>,1|O<2>,2|S<2>}	108.8609	0.742	8	108.8609	0.551	8	108.8609	0.551	8	108.8609	0.551	8	108.6666	0.822	9	108.0044	6.926	44
474	891	891	5:SP3_SP2_SP2	C[5]	S[5]	S[5]	2:2:1:1:	3:4:	3:4:	S[5]-2:S[5]-2:H-1:H-1:	C[5,5]-3:C[5]-4:	C[5,5]-3:C[5]-4:	C[5](S[5]C[5,5])2(H)2	S[5](C[5,5]C[5,5]S[5])(C[5]S[5]HH)	S[5](C[5,5]C[5,5]S[5])(C[5]S[5]HH)	C[5](S[5]C[5,5])2(H)2{2|S<2>}	S[5](C[5,5]C[5,5]S[5])(C[5]S[5]HH){1|C<3>,1|S<2>}	S[5](C[5,5]C[5,5]S[5])(C[5]S[5]HH){1|C<3>,1|S<2>}	113.5070	3.397	3	113.5070	11.537	3	113.5070	11.537	3	111.7057	9.136	6	107.4993	8.366	26	108.0044	6.926	44
474	891	891	5:SP3_SP2_SP2	C[5]	S[5]	S[5]	2:2:1:1:	3:4:	3:4:	S[5]-2:S[5]-2:H-1:H-1:	C[5,5a]-3:C[5]-4:	C[5,5a]-3:C[5]-4:	C[5](S[5]C[5,5a])2(H)2	S[5](C[5,5a]C[5,5a]C[5a])(C[5]S[5]HH)	S[5](C[5,5a]C[5,5a]C[5a])(C[5]S[5]HH)	C[5](S[5]C[5,5a])2(H)2{2|C<3>}	S[5](C[5,5a]C[5,5a]C[5a])(C[5]S[5]HH){1|Br<1>,1|C<3>,1|S<2>}	S[5](C[5,5a]C[5,5a]C[5a])(C[5]S[5]HH){1|Br<1>,1|C<3>,1|S<2>}	109.5970	0.000	1	109.5970	0.000	1	109.9043	1.569	3	111.7057	9.136	6	107.4993	8.366	26	108.0044	6.926	44
474	891	891	5:SP3_SP2_SP2	C[5]	S[5]	S[5]	2:2:1:1:	3:4:	3:4:	S[5]-2:S[5]-2:H-1:H-1:	C[5,5a]-3:C[5]-4:	C[5,5a]-3:C[5]-4:	C[5](S[5]C[5,5a])2(H)2	S[5](C[5,5a]C[5,5a]S[5a])(C[5]S[5]HH)	S[5](C[5,5a]C[5,5a]S[5a])(C[5]S[5]HH)	C[5](S[5]C[5,5a])2(H)2{2|S<2>}	S[5](C[5,5a]C[5,5a]S[5a])(C[5]S[5]HH){1|C<3>,1|S<2>}	S[5](C[5,5a]C[5,5a]S[5a])(C[5]S[5]HH){1|C<3>,1|S<2>}	108.8340	0.000	1	108.8340	0.000	1	109.9043	1.569	3	111.7057	9.136	6	107.4993	8.366	26	108.0044	6.926	44
474	891	891	5:SP3_SP2_SP2	C[5]	S[5]	S[5]	2:2:1:1:	3:4:	3:4:	S[5]-2:S[5]-2:H-1:H-1:	C[5,5a]-3:C[5]-4:	C[5,5a]-3:C[5]-4:	C[5](S[5]C[5,5a])2(H)2	S[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]S[5]HH)	S[5](C[5,5a]C[5,5a]S[5a])(C[5]S[5]HH)	C[5](S[5]C[5,5a])2(H)2{1|C<3>,1|S<2>}	S[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]S[5]HH){1|S<2>,2|C<3>}	S[5](C[5,5a]C[5,5a]S[5a])(C[5]S[5]HH){2|C<3>}	111.2820	0.000	1	111.2820	0.000	1	109.9043	1.569	3	111.7057	9.136	6	107.4993	8.366	26	108.0044	6.926	44
474	891	891	5:SP3_SP2_SP2	C[5]	S[5]	S[5]	2:2:4:1:	3:4:	3:4:	S[5]-2:S[5]-2:C-4:H-1:	C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](S[5]C[5,6a])2(CC[5a]CH)(H)	S[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]CH)	S[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]CH)	C[5](S[5]C[5,6a])2(CC[5a]CH)(H){2|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]CH){1|H<1>,2|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]CH){1|H<1>,2|C<3>}	106.4200	0.000	1	106.4200	0.000	1	106.4200	0.000	1	107.7180	0.755	4	107.4993	8.366	26	108.0044	6.926	44
474	891	891	5:SP3_SP2_SP2	C[5]	S[5]	S[5]	2:2:4:1:	3:4:	3:4:	S[5]-2:S[5]-2:P-4:H-1:	C[5,6]-3:C[5]-4:	C[5,6]-3:C[5]-4:	C[5](S[5]C[5,6])2(PO3)(H)	S[5](C[5,6]C[5,6]S[6])(C[5]S[5]HP)	S[5](C[5,6]C[5,6]S[6])(C[5]S[5]HP)	C[5](S[5]C[5,6])2(PO3)(H){2|S<2>}	S[5](C[5,6]C[5,6]S[6])(C[5]S[5]HP){1|C<4>,1|S<2>}	S[5](C[5,6]C[5,6]S[6])(C[5]S[5]HP){1|C<4>,1|S<2>}	108.1507	0.095	3	108.1507	0.009	3	108.1507	0.009	3	107.7180	0.755	4	107.4993	8.366	26	108.0044	6.926	44
474	891	891	5:SP3_SP2_SP2	C[5]	S[5]	S[5]	2:2:4:4:	3:4:	3:4:	S[5]-2:S[5]-2:C-4:C-4:	C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](S[5]C[5,6a])2(CCHH)2	S[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]CC)	S[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]CC)	C[5](S[5]C[5,6a])2(CCHH)2{2|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]CC){1|I<1>,2|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]CC){1|I<1>,2|C<3>}	107.5355	0.794	2	107.5355	0.631	2	105.8454	0.790	14	105.8454	0.790	14	107.4993	8.366	26	108.0044	6.926	44
474	891	891	5:SP3_SP2_SP2	C[5]	S[5]	S[5]	2:2:4:4:	3:4:	3:4:	S[5]-2:S[5]-2:C-4:C-4:	C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](S[5]C[5,6a])2(CH3)2	S[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]CC)	S[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]CC)	C[5](S[5]C[5,6a])2(CH3)2{2|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]CC){1|C<4>,2|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]CC){1|I<1>,2|C<3>}	105.3657	0.634	6	105.4104	0.296	8	105.8454	0.790	14	105.8454	0.790	14	107.4993	8.366	26	108.0044	6.926	44
474	891	891	5:SP3_SP2_SP2	C[5]	S[5]	S[5]	2:2:4:4:	3:4:	3:4:	S[5]-2:S[5]-2:C-4:C-4:	C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](S[5]C[5,6a])2(CH3)2	S[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]CC)	S[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]CC)	C[5](S[5]C[5,6a])2(CH3)2{2|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]CC){3|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]CC){3|C<3>}	105.5445	0.105	2	105.4104	0.296	8	105.8454	0.790	14	105.8454	0.790	14	107.4993	8.366	26	108.0044	6.926	44
474	891	891	5:SP3_SP2_SP2	C[5]	S[5]	S[5]	2:2:4:4:	3:4:	3:4:	S[5]-2:S[5]-2:C-4:C-4:	C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](S[5]C[5,6a])2(CHHO)(CH3)	S[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]CC)	S[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]CC)	C[5](S[5]C[5,6a])2(CHHO)(CH3){2|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]CC){1|H<1>,2|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]CC){1|H<1>,2|C<3>}	105.8705	0.338	4	105.8705	0.114	4	105.8454	0.790	14	105.8454	0.790	14	107.4993	8.366	26	108.0044	6.926	44
474	891	891	5:SP3_SP2_SP2	C[5]	S[5]	S[5]	3:2:2:4:	3:4:	3:4:	C[6a]-3:S[5]-2:S[5]-2:C-4:	C[5,5]-3:C[5]-4:	C[5,5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(S[5]C[5,5])2(CC[6a]HH)	S[5](C[5,5]C[5,5]S[5])(C[5]C[6a]S[5]C)	S[5](C[5,5]C[5,5]S[5])(C[5]C[6a]S[5]C)	C[5](C[6a]C[6a]2)(S[5]C[5,5])2(CC[6a]HH){2|C<3>,2|H<1>,2|S<2>}	S[5](C[5,5]C[5,5]S[5])(C[5]C[6a]S[5]C){1|S<2>,3|C<3>}	S[5](C[5,5]C[5,5]S[5])(C[5]C[6a]S[5]C){1|S<2>,3|C<3>}	105.0400	0.000	1	105.0400	0.000	1	105.0400	0.000	1	105.0400	0.000	1	107.4993	8.366	26	108.0044	6.926	44
474	891	891	5:SP3_SP2_SP2	C[5]	S[5]	S[5]	4:2:2:1:	3:4:	3:4:	C[5,5]-4:S[5]-2:S[5]-2:H-1:	C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(S[5]C[5,6a])2(H)	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]S[5]H)	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]S[5]H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(S[5]C[5,6a])2(H){1|C<4>,2|N<3>,3|H<1>,4|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]S[5]H){1|H<1>,2|C<4>,3|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]S[5]H){1|H<1>,2|C<4>,3|C<3>}	106.9990	0.000	1	106.9990	0.000	1	106.9990	0.000	1	106.9990	0.000	1	107.4993	8.366	26	108.0044	6.926	44
474	891	891	5:SP3_SP3_SP3	C[5,5,6]	S[5,6]	S[5,5]	3:2:2:3:	4:4:	4:4:	C[5,6]-3:S[5,5]-2:S[5,6]-2:C[6a]-3:	C[5,5,6]-4:C[5,6]-4:	C[3x5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]N[5,5,6]O)(S[5,5]C[3x5,6])(S[5,6]C[5,6])(C[6a]C[6a]2)	S[5,6](C[5,5,6]C[5,6]S[5,5]C[6a])(C[5,6]C[3x5,6]C[6a]C)	S[5,5](C[3x5,6]N[5,5,6]C[5,6]S[5])(C[5,5,6]C[5,6]S[5,6]C[6a])	C[5,5,6](C[5,6]N[5,5,6]O)(S[5,5]C[3x5,6])(S[5,6]C[5,6])(C[6a]C[6a]2){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	S[5,6](C[5,5,6]C[5,6]S[5,5]C[6a])(C[5,6]C[3x5,6]C[6a]C){1|N<3>,1|O<1>,1|S<2>,4|C<3>}	S[5,5](C[3x5,6]N[5,5,6]C[5,6]S[5])(C[5,5,6]C[5,6]S[5,6]C[6a]){1|O<1>,2|C<4>,4|C<3>}	104.9923	0.069	3	104.9923	0.005	3	104.9923	0.005	3	104.9923	0.005	3	104.9923	0.005	3	106.9239	1.570	37
474	891	891	5:SP3_SP3_SP3	C[5,5,6]	S[5]	S[5]	4:4:2:2:	4:4:	4:4:	C[5,5,6,6]-4:C[4,5,6]-4:S[5]-2:S[5]-2:	C[5,5,6]-4:C[5]-4:	C[5,5,6]-4:C[5]-4:	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[4,5,6]H)(S[5]C[5])2	S[5](C[5,5,6]C[5,5,6,6]C[4,5,6]S[5])(C[5]C[5]HH)	S[5](C[5,5,6]C[5,5,6,6]C[4,5,6]S[5])(C[5]C[5]HH)	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[4,5,6]H)(S[5]C[5])2{1|C<3>,3|C<4>,8|H<1>}	S[5](C[5,5,6]C[5,5,6,6]C[4,5,6]S[5])(C[5]C[5]HH){4|C<4>,4|H<1>}	S[5](C[5,5,6]C[5,5,6,6]C[4,5,6]S[5])(C[5]C[5]HH){4|C<4>,4|H<1>}	107.0210	0.000	1	107.0210	0.000	1	107.0210	0.000	1	107.0210	0.000	1	107.0210	0.000	1	106.9239	1.570	37
474	891	891	5:SP3_SP3_SP3	C[5,5]	S[5]	S[5]	3:4:2:2:	4:4:	4:4:	C[5,5a]-3:C[5]-4:S[5]-2:S[5]-2:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]CH)(S[5]C[5])2	S[5](C[5,5]C[5,5a]C[5]S[5])(C[5]C[5]HH)	S[5](C[5,5]C[5,5a]C[5]S[5])(C[5]C[5]HH)	C[5,5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]CH)(S[5]C[5])2{2|C<3>,2|C<4>,5|H<1>}	S[5](C[5,5]C[5,5a]C[5]S[5])(C[5]C[5]HH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	S[5](C[5,5]C[5,5a]C[5]S[5])(C[5]C[5]HH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	108.0110	0.000	2	108.0110	0.000	2	108.0110	0.000	2	108.0110	0.000	2	107.6167	0.466	3	106.9239	1.570	37
474	891	891	5:SP3_SP3_SP3	C[5,5]	S[5]	S[5]	4:4:2:2:	4:4:	4:4:	C[5]-4:C[5]-4:S[5]-2:S[5]-2:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:	C[5,5](C[5]C[5]HH)2(S[5]C[5])2	S[5](C[5,5]C[5]2S[5])(C[5]C[5]HH)	S[5](C[5,5]C[5]2S[5])(C[5]C[5]HH)	C[5,5](C[5]C[5]HH)2(S[5]C[5])2{2|C<4>,6|H<1>}	S[5](C[5,5]C[5]2S[5])(C[5]C[5]HH){2|C<4>,6|H<1>}	S[5](C[5,5]C[5]2S[5])(C[5]C[5]HH){2|C<4>,6|H<1>}	106.8280	0.000	1	106.8280	0.000	1	106.8280	0.000	1	106.8280	0.000	1	107.6167	0.466	3	106.9239	1.570	37
474	891	891	5:SP3_SP3_SP3	C[5,6,6]	S[5]	S[5]	3:4:2:2:	4:4:	4:4:	C[5,6,6]-3:C[3x6]-4:S[5]-2:S[5]-2:	C[5,6,6]-4:C[5]-4:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[5,6,6]C[5,5,3x6]N[5])(C[3x6]C[6,6]2H)(S[5]C[5])2	S[5](C[5,6,6]C[5,6,6]C[3x6]S[5])(C[5]C[5]HH)	S[5](C[5,6,6]C[5,6,6]C[3x6]S[5])(C[5]C[5]HH)	C[5,6,6](C[5,6,6]C[5,5,3x6]N[5])(C[3x6]C[6,6]2H)(S[5]C[5])2{2|C<3>,2|C<4>,8|H<1>}	S[5](C[5,6,6]C[5,6,6]C[3x6]S[5])(C[5]C[5]HH){1|N<2>,3|C<4>,3|H<1>}	S[5](C[5,6,6]C[5,6,6]C[3x6]S[5])(C[5]C[5]HH){1|N<2>,3|C<4>,3|H<1>}	108.0950	0.000	1	108.0950	0.000	1	108.0950	0.000	1	108.0950	0.000	1	106.2642	1.122	5	106.9239	1.570	37
474	891	891	5:SP3_SP3_SP3	C[5,6,6]	S[5]	S[5]	4:4:2:2:	4:2:	4:4:	C[3x6]-4:C[3x6]-4:S[5]-2:S[5]-2:	C[5,6,6]-4:S[5]-2:	C[5,6,6]-4:C[5,6,6]-4:	C[5,6,6](C[3x6]C[6,6]2H)2(S[5]C[5,6,6])(S[5]S[5])	S[5](C[5,6,6]C[3x6]2S[5])(S[5]C[5,6,6])	S[5](C[5,6,6]C[3x6]2S[5])2	C[5,6,6](C[3x6]C[6,6]2H)2(S[5]C[5,6,6])(S[5]S[5]){4|C<4>,8|H<1>}	S[5](C[5,6,6]C[3x6]2S[5])(S[5]C[5,6,6]){2|H<1>,6|C<4>}	S[5](C[5,6,6]C[3x6]2S[5])2{4|H<1>,8|C<4>}	105.7380	0.481	2	105.7380	0.231	2	105.7380	0.231	2	105.7380	0.231	2	106.2642	1.122	5	106.9239	1.570	37
474	891	891	5:SP3_SP3_SP3	C[5,6,6]	S[5]	S[5]	4:4:2:2:	4:4:	4:4:	C[3x6]-4:C[6,6]-4:S[5]-2:S[5]-2:	C[5,6,6]-4:C[5]-4:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]HH)(S[5]C[5])2	S[5](C[5,6,6]C[3x6]C[6,6]S[5])(C[5]C[5]HH)	S[5](C[5,6,6]C[3x6]C[6,6]S[5])(C[5]C[5]HH)	C[5,6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]HH)(S[5]C[5])2{1|C<3>,1|C<4>,8|H<1>}	S[5](C[5,6,6]C[3x6]C[6,6]S[5])(C[5]C[5]HH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	S[5](C[5,6,6]C[3x6]C[6,6]S[5])(C[5]C[5]HH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	105.8750	0.219	2	105.8750	0.048	2	105.8750	0.048	2	105.8750	0.048	2	106.2642	1.122	5	106.9239	1.570	37
474	891	891	5:SP3_SP3_SP3	C[5,6]	S[5]	S[5]	3:3:2:2:	4:4:	4:4:	C[6]-3:C[6]-3:S[5]-2:S[5]-2:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[4,6]O)(C[6]C[6]H)(S[5]C[5])2	S[5](C[5,6]C[6]2S[5])(C[5]C[5]HH)	S[5](C[5,6]C[6]2S[5])(C[5]C[5]HH)	C[5,6](C[6]C[4,6]O)(C[6]C[6]H)(S[5]C[5])2{2|C<4>,6|H<1>}	S[5](C[5,6]C[6]2S[5])(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	S[5](C[5,6]C[6]2S[5])(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	106.7305	0.674	2	106.7305	0.454	2	106.7305	0.454	2	106.7305	0.454	2	106.7049	0.796	14	106.9239	1.570	37
474	891	891	5:SP3_SP3_SP3	C[5,6]	S[5]	S[5]	3:4:2:2:	4:4:	4:4:	C[5,6]-3:C[6]-4:S[5]-2:S[5]-2:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(S[5]C[5])2	S[5](C[5,6]C[5,6]C[6]S[5])(C[5]C[5]HH)	S[5](C[5,6]C[5,6]C[6]S[5])(C[5]C[5]HH)	C[5,6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(S[5]C[5])2{3|C<3>,6|H<1>}	S[5](C[5,6]C[5,6]C[6]S[5])(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	S[5](C[5,6]C[5,6]C[6]S[5])(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	106.9440	0.000	1	106.9440	0.000	1	106.9440	0.000	1	106.8267	0.306	7	106.7049	0.796	14	106.9239	1.570	37
474	891	891	5:SP3_SP3_SP3	C[5,6]	S[5]	S[5]	3:4:2:2:	4:4:	4:4:	C[5a,6]-3:C[6,6]-4:S[5]-2:S[5]-2:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(S[5]C[5])2	S[5](C[5,6]C[5a,6]C[6,6]S[5])(C[5]C[5]HH)	S[5](C[5,6]C[5a,6]C[6,6]S[5])(C[5]C[5]HH)	C[5,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(S[5]C[5])2{1|C<4>,3|C<3>,9|H<1>}	S[5](C[5,6]C[5a,6]C[6,6]S[5])(C[5]C[5]HH){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	S[5](C[5,6]C[5a,6]C[6,6]S[5])(C[5]C[5]HH){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	106.6840	0.000	1	106.5013	0.036	3	106.5013	0.036	3	106.8267	0.306	7	106.7049	0.796	14	106.9239	1.570	37
474	891	891	5:SP3_SP3_SP3	C[5,6]	S[5]	S[5]	3:4:2:2:	4:4:	4:4:	C[5a,6]-3:C[6,6]-4:S[5]-2:S[5]-2:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(S[5]C[5])2	S[5](C[5,6]C[5a,6]C[6,6]S[5])(C[5]C[5]HH)	S[5](C[5,6]C[5a,6]C[6,6]S[5])(C[5]C[5]HH)	C[5,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(S[5]C[5])2{2|C<4>,3|C<3>,8|H<1>}	S[5](C[5,6]C[5a,6]C[6,6]S[5])(C[5]C[5]HH){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	S[5](C[5,6]C[5a,6]C[6,6]S[5])(C[5]C[5]HH){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	106.5130	0.000	1	106.5013	0.036	3	106.5013	0.036	3	106.8267	0.306	7	106.7049	0.796	14	106.9239	1.570	37
474	891	891	5:SP3_SP3_SP3	C[5,6]	S[5]	S[5]	3:4:2:2:	4:4:	4:4:	C[5a,6]-3:C[6,6]-4:S[5]-2:S[5]-2:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(S[5]C[5])2	S[5](C[5,6]C[5a,6]C[6,6]S[5])(C[5]C[5]HH)	S[5](C[5,6]C[5a,6]C[6,6]S[5])(C[5]C[5]HH)	C[5,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(S[5]C[5])2{3|C<3>,3|C<4>,7|H<1>}	S[5](C[5,6]C[5a,6]C[6,6]S[5])(C[5]C[5]HH){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	S[5](C[5,6]C[5a,6]C[6,6]S[5])(C[5]C[5]HH){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	106.3070	0.000	1	106.5013	0.036	3	106.5013	0.036	3	106.8267	0.306	7	106.7049	0.796	14	106.9239	1.570	37
474	891	891	5:SP3_SP3_SP3	C[5,6]	S[5]	S[5]	3:4:2:2:	4:4:	4:4:	C[5a,6]-3:C[6]-4:S[5]-2:S[5]-2:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5a,6]C[5a,6]N[5a])(C[6]C[3,6]HH)(S[5]C[5])2	S[5](C[5,6]C[5a,6]C[6]S[5])(C[5]C[5]HH)	S[5](C[5,6]C[5a,6]C[6]S[5])(C[5]C[5]HH)	C[5,6](C[5a,6]C[5a,6]N[5a])(C[6]C[3,6]HH)(S[5]C[5])2{1|H<2>,2|C<3>,2|C<4>,6|H<1>}	S[5](C[5,6]C[5a,6]C[6]S[5])(C[5]C[5]HH){1|C<3>,1|C<5>,1|N<3>,4|H<1>}	S[5](C[5,6]C[5a,6]C[6]S[5])(C[5]C[5]HH){1|C<3>,1|C<5>,1|N<3>,4|H<1>}	106.2500	0.000	1	106.2500	0.000	1	107.1130	0.593	3	106.8267	0.306	7	106.7049	0.796	14	106.9239	1.570	37
474	891	891	5:SP3_SP3_SP3	C[5,6]	S[5]	S[5]	3:4:2:2:	4:4:	4:4:	C[5a,6]-3:C[6]-4:S[5]-2:S[5]-2:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(S[5]C[5])2	S[5](C[5,6]C[5a,6]C[6]S[5])(C[5]C[5]HH)	S[5](C[5,6]C[5a,6]C[6]S[5])(C[5]C[5]HH)	C[5,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(S[5]C[5])2{1|C<4>,4|C<3>,4|H<1>}	S[5](C[5,6]C[5a,6]C[6]S[5])(C[5]C[5]HH){1|N<3>,2|C<3>,4|H<1>}	S[5](C[5,6]C[5a,6]C[6]S[5])(C[5]C[5]HH){1|N<3>,2|C<3>,4|H<1>}	107.3580	0.000	1	107.5445	0.070	2	107.1130	0.593	3	106.8267	0.306	7	106.7049	0.796	14	106.9239	1.570	37
474	891	891	5:SP3_SP3_SP3	C[5,6]	S[5]	S[5]	3:4:2:2:	4:4:	4:4:	C[5a,6]-3:C[6]-4:S[5]-2:S[5]-2:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(S[5]C[5])2	S[5](C[5,6]C[5a,6]C[6]S[5])(C[5]C[5]HH)	S[5](C[5,6]C[5a,6]C[6]S[5])(C[5]C[5]HH)	C[5,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(S[5]C[5])2{2|C<4>,3|C<3>,5|H<1>}	S[5](C[5,6]C[5a,6]C[6]S[5])(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	S[5](C[5,6]C[5a,6]C[6]S[5])(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	107.7310	0.000	1	107.5445	0.070	2	107.1130	0.593	3	106.8267	0.306	7	106.7049	0.796	14	106.9239	1.570	37
474	891	891	5:SP3_SP3_SP3	C[5,6]	S[5]	S[5]	4:3:2:2:	4:4:	4:4:	C[6]-4:C[6]-3:S[5]-2:S[5]-2:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6]CN)(C[6]C[6]C)(S[5]C[5])2	S[5](C[5,6]C[6]2S[5])(C[5]C[5]HH)	S[5](C[5,6]C[6]2S[5])(C[5]C[5]HH)	C[5,6](C[6]C[6]CN)(C[6]C[6]C)(S[5]C[5])2{1|C<3>,1|C<4>,1|O<2>,5|H<1>}	S[5](C[5,6]C[6]2S[5])(C[5]C[5]HH){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	S[5](C[5,6]C[6]2S[5])(C[5]C[5]HH){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	106.6060	0.000	1	106.6060	0.000	1	106.6060	0.000	1	106.6060	0.000	1	106.7049	0.796	14	106.9239	1.570	37
474	891	891	5:SP3_SP3_SP3	C[5,6]	S[5]	S[5]	4:4:2:2:	4:4:	4:4:	C[5,6]-4:C[6]-4:S[5]-2:S[5]-2:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(S[5]C[5])2	S[5](C[5,6]C[5,6]C[6]S[5])(C[5]C[5]HH)	S[5](C[5,6]C[5,6]C[6]S[5])(C[5]C[5]HH)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(S[5]C[5])2{1|O<1>,1|O<2>,2|C<4>,7|H<1>}	S[5](C[5,6]C[5,6]C[6]S[5])(C[5]C[5]HH){1|C<3>,2|C<4>,5|H<1>}	S[5](C[5,6]C[5,6]C[6]S[5])(C[5]C[5]HH){1|C<3>,2|C<4>,5|H<1>}	107.9590	0.000	1	107.9590	0.000	1	107.9590	0.000	1	106.5037	2.593	4	106.7049	0.796	14	106.9239	1.570	37
474	891	891	5:SP3_SP3_SP3	C[5,6]	S[5]	S[5]	4:4:2:2:	4:4:	4:4:	C[6]-4:C[6]-4:S[5]-2:S[5]-2:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6,6]CH)(C[6]C[6]HH)(S[5]C[5])2	S[5](C[5,6]C[6]2S[5])(C[5]C[5]HH)	S[5](C[5,6]C[6]2S[5])(C[5]C[5]HH)	C[5,6](C[6]C[6,6]CH)(C[6]C[6]HH)(S[5]C[5])2{2|C<4>,7|H<1>}	S[5](C[5,6]C[6]2S[5])(C[5]C[5]HH){3|C<4>,5|H<1>}	S[5](C[5,6]C[6]2S[5])(C[5]C[5]HH){3|C<4>,5|H<1>}	106.9950	0.000	1	106.9950	0.000	1	106.0187	2.477	3	106.5037	2.593	4	106.7049	0.796	14	106.9239	1.570	37
474	891	891	5:SP3_SP3_SP3	C[5,6]	S[5]	S[5]	4:4:2:2:	4:4:	4:4:	C[6]-4:C[6]-4:S[5]-2:S[5]-2:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6,6]HH)(C[6]C[6]HH)(S[5]C[5])2	S[5](C[5,6]C[6]2S[5])(C[5]C[5]HH)	S[5](C[5,6]C[6]2S[5])(C[5]C[5]HH)	C[5,6](C[6]C[6,6]HH)(C[6]C[6]HH)(S[5]C[5])2{2|C<4>,7|H<1>}	S[5](C[5,6]C[6]2S[5])(C[5]C[5]HH){2|C<4>,6|H<1>}	S[5](C[5,6]C[6]2S[5])(C[5]C[5]HH){2|C<4>,6|H<1>}	106.8580	0.000	1	106.8580	0.000	1	106.0187	2.477	3	106.5037	2.593	4	106.7049	0.796	14	106.9239	1.570	37
474	891	891	5:SP3_SP3_SP3	C[5,6]	S[5]	S[5]	4:4:2:2:	4:4:	4:4:	C[6]-4:C[6]-4:S[5]-2:S[5]-2:	C[5,6]-4:C[5]-4:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6]HH)2(S[5]C[5])2	S[5](C[5,6]C[6]2S[5])(C[5]C[5]HH)	S[5](C[5,6]C[6]2S[5])(C[5]C[5]HH)	C[5,6](C[6]C[6]HH)2(S[5]C[5])2{1|C<4>,1|N<3>,1|O<2>,6|H<1>}	S[5](C[5,6]C[6]2S[5])(C[5]C[5]HH){2|C<4>,6|H<1>}	S[5](C[5,6]C[6]2S[5])(C[5]C[5]HH){2|C<4>,6|H<1>}	104.2030	0.000	1	104.2030	0.000	1	106.0187	2.477	3	106.5037	2.593	4	106.7049	0.796	14	106.9239	1.570	37
474	891	891	5:SP3_SP3_SP3	C[5]	S[5]	S[5]	2:2:1:1:	4:4:	4:4:	S[5]-2:S[5]-2:H-1:H-1:	C[5,5,6]-4:C[5]-4:	C[5,5,6]-4:C[5]-4:	C[5](S[5]C[5,5,6])2(H)2	S[5](C[5,5,6]C[5,5,6]2H)(C[5]S[5]HH)	S[5](C[5,5,6]C[5,5,6]2H)(C[5]S[5]HH)	C[5](S[5]C[5,5,6])2(H)2{2|C<4>,2|H<1>}	S[5](C[5,5,6]C[5,5,6]2H)(C[5]S[5]HH){1|O<2>,2|C<4>,2|H<1>}	S[5](C[5,5,6]C[5,5,6]2H)(C[5]S[5]HH){1|O<2>,2|C<4>,2|H<1>}	106.7550	0.000	1	106.7550	0.000	1	106.7550	0.000	1	108.9690	9.804	2	107.8314	1.620	11	106.9239	1.570	37
474	891	891	5:SP3_SP3_SP3	C[5]	S[5]	S[5]	2:2:1:1:	4:4:	4:4:	S[5]-2:S[5]-2:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:	C[5](S[5]C[5,5])2(H)2	S[5](C[5,5]C[5,6a]2C[5,5])(C[5]S[5]HH)	S[5](C[5,5]C[5,6a]2C[5,5])(C[5]S[5]HH)	C[5](S[5]C[5,5])2(H)2{4|C<3>}	S[5](C[5,5]C[5,6a]2C[5,5])(C[5]S[5]HH){6|C<3>}	S[5](C[5,5]C[5,6a]2C[5,5])(C[5]S[5]HH){6|C<3>}	111.1830	0.000	1	111.1830	0.000	1	111.1830	0.000	1	108.9690	9.804	2	107.8314	1.620	11	106.9239	1.570	37
474	891	891	5:SP3_SP3_SP3	C[5]	S[5]	S[5]	2:2:4:1:	4:4:	4:4:	S[5]-2:S[5]-2:C-4:H-1:	C[5]-4:C[5]-4:	C[5]-4:C[5]-4:	C[5](S[5]C[5])2(CN[5]HH)(H)	S[5](C[5]C[5]HH)(C[5]S[5]CH)	S[5](C[5]C[5]HH)(C[5]S[5]CH)	C[5](S[5]C[5])2(CN[5]HH)(H){4|H<1>}	S[5](C[5]C[5]HH)(C[5]S[5]CH){2|H<1>}	S[5](C[5]C[5]HH)(C[5]S[5]CH){2|H<1>}	107.3895	0.678	2	107.3895	0.460	2	107.3895	0.460	2	107.3895	0.460	2	107.8314	1.620	11	106.9239	1.570	37
474	891	891	5:SP3_SP3_SP3	C[5]	S[5]	S[5]	3:2:2:1:	4:4:	4:4:	C[6a]-3:S[5]-2:S[5]-2:H-1:	C[5]-4:C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(S[5]C[5])2(H)	S[5](C[5]C[6a]S[5]H)(C[5]C[5]CH)	S[5](C[5]C[6a]S[5]H)(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(S[5]C[5])2(H){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	S[5](C[5]C[6a]S[5]H)(C[5]C[5]CH){1|H<1>,3|C<3>}	S[5](C[5]C[6a]S[5]H)(C[5]C[5]CH){1|H<1>,3|C<3>}	108.3680	0.000	1	108.3680	0.000	1	108.2705	0.019	2	108.1857	0.031	3	107.8314	1.620	11	106.9239	1.570	37
474	891	891	5:SP3_SP3_SP3	C[5]	S[5]	S[5]	3:2:2:1:	4:4:	4:4:	C[6a]-3:S[5]-2:S[5]-2:H-1:	C[5]-4:C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(S[5]C[5])2(H)	S[5](C[5]C[6a]S[5]H)(C[5]C[5]HH)	S[5](C[5]C[6a]S[5]H)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(S[5]C[5])2(H){1|O<2>,2|C<3>,5|H<1>}	S[5](C[5]C[6a]S[5]H)(C[5]C[5]HH){2|C<3>,2|H<1>}	S[5](C[5]C[6a]S[5]H)(C[5]C[5]HH){2|C<3>,2|H<1>}	108.1730	0.000	1	108.1730	0.000	1	108.2705	0.019	2	108.1857	0.031	3	107.8314	1.620	11	106.9239	1.570	37
474	891	891	5:SP3_SP3_SP3	C[5]	S[5]	S[5]	3:2:2:1:	4:4:	4:4:	N[5a]-3:S[5]-2:S[5]-2:H-1:	C[5]-4:C[5]-4:	C[5]-4:C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(S[5]C[5])2(H)	S[5](C[5]N[5a]S[5]H)(C[5]C[5]HH)	S[5](C[5]N[5a]S[5]H)(C[5]C[5]HH)	C[5](N[5a]C[5a,6a]C[5a])(S[5]C[5])2(H){1|N<2>,2|C<3>,5|H<1>}	S[5](C[5]N[5a]S[5]H)(C[5]C[5]HH){2|C<3>,2|H<1>}	S[5](C[5]N[5a]S[5]H)(C[5]C[5]HH){2|C<3>,2|H<1>}	108.0160	0.000	1	108.0160	0.000	1	108.0160	0.000	1	108.1857	0.031	3	107.8314	1.620	11	106.9239	1.570	37
474	891	891	5:SP3_SP3_SP3	C[5]	S[5]	S[5]	3:2:2:4:	4:4:	4:4:	C[5]-3:S[5]-2:S[5]-2:C-4:	C[5]-4:C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5,6,6]C[5])(S[5]C[5])2(CCCH)	S[5](C[5]C[5]S[5]C)(C[5]C[5]HH)	S[5](C[5]C[5]S[5]C)(C[5]C[5]HH)	C[5](C[5]C[5,6,6]C[5])(S[5]C[5])2(CCCH){1|C<4>,1|O<1>,2|O<2>,4|H<1>}	S[5](C[5]C[5]S[5]C)(C[5]C[5]HH){2|C<3>,2|H<1>}	S[5](C[5]C[5]S[5]C)(C[5]C[5]HH){2|C<3>,2|H<1>}	106.3920	0.000	1	106.3920	0.000	1	106.3920	0.000	1	106.3920	0.000	1	107.8314	1.620	11	106.9239	1.570	37
474	891	891	5:SP3_SP3_SP3	C[5]	S[5]	S[5]	4:2:2:3:	4:4:	4:4:	C[6]-4:S[5]-2:S[5]-2:C-3:	C[5]-4:C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6]C[6]2H)(S[5]C[5])2(COO)	S[5](C[5]C[6]S[5]C)(C[5]C[5]HH)	S[5](C[5]C[6]S[5]C)(C[5]C[5]HH)	C[5](C[6]C[6]2H)(S[5]C[5])2(COO){1|C<3>,2|C<4>,7|H<1>}	S[5](C[5]C[6]S[5]C)(C[5]C[5]HH){2|C<4>,3|H<1>}	S[5](C[5]C[6]S[5]C)(C[5]C[5]HH){2|C<4>,3|H<1>}	107.3100	0.000	1	107.3100	0.000	1	107.3100	0.000	1	107.3100	0.000	1	107.8314	1.620	11	106.9239	1.570	37
474	891	891	5:SP3_SP3_SP3	C[5]	S[5]	S[5]	4:2:2:4:	4:4:	4:4:	C[5]-4:S[5]-2:S[5]-2:C-4:	C[5]-4:C[5]-4:	C[5]-4:C[5]-4:	C[5](C[5]S[5]2C)(S[5]C[5])2(CH3)	S[5](C[5]C[5]S[5]C)(C[5]C[5]HH)	S[5](C[5]C[5]S[5]C)(C[5]C[5]HH)	C[5](C[5]S[5]2C)(S[5]C[5])2(CH3){2|C<4>,4|H<1>}	S[5](C[5]C[5]S[5]C)(C[5]C[5]HH){1|C<4>,2|H<1>,2|S<2>}	S[5](C[5]C[5]S[5]C)(C[5]C[5]HH){1|C<4>,2|H<1>,2|S<2>}	107.5845	0.235	2	107.5845	0.055	2	107.5845	0.055	2	107.5845	0.055	2	107.8314	1.620	11	106.9239	1.570	37
474	891	891	6:SP3_SP3_SP3	C[5,5,6,6]	S[5,6,6]	S[5,6,6]	4:2:2:3:	4:4:	4:4:	C[5,5]-4:S[5,6,6]-2:S[5,6,6]-2:C[6a]-3:	C[5,5,6,6]-4:P[4,5,6,6]-4:	C[5,5,6,6]-4:P[4,5,6,6]-4:	C[5,5,6,6](C[5,5]C[4,5,5,6]HH)(S[5,6,6]P[4,5,6,6])2(C[6a]C[6a]2)	S[5,6,6](C[5,5,6,6]S[5,6,6]C[5,5]C[6a])(P[4,5,6,6]C[4,5,5,6]S[4,6]S)	S[5,6,6](C[5,5,6,6]S[5,6,6]C[5,5]C[6a])(P[4,5,6,6]C[4,5,5,6]S[4,6]S)	C[5,5,6,6](C[5,5]C[4,5,5,6]HH)(S[5,6,6]P[4,5,6,6])2(C[6a]C[6a]2){1|S<2>,2|H<1>,2|S<1>,3|C<3>}	S[5,6,6](C[5,5,6,6]S[5,6,6]C[5,5]C[6a])(P[4,5,6,6]C[4,5,5,6]S[4,6]S){1|P<4>,2|H<1>,3|C<3>}	S[5,6,6](C[5,5,6,6]S[5,6,6]C[5,5]C[6a])(P[4,5,6,6]C[4,5,5,6]S[4,6]S){1|P<4>,2|H<1>,3|C<3>}	111.1000	0.000	1	111.1000	0.000	1	111.1000	0.000	1	111.1000	0.000	1	111.1000	0.000	1	111.1000	0.000	1
474	891	893	0:SP3_SP2_SP3	C[5]	S[5]	O	3:2:4:2:	3:4:	4:1:	C[5]-3:S[5]-2:C-4:O-2:	C[5]-3:C[5]-4:	C[5]-4:H-1:	C[5](C[5]N[5]O)(S[5]C[5])(CBrHH)(OH)	S[5](C[5]C[6a]N[5])(C[5]C[5]CO)	O(C[5]C[5]S[5]C)(H)	C[5](C[5]N[5]O)(S[5]C[5])(CBrHH)(OH){1|C<3>}	S[5](C[5]C[6a]N[5])(C[5]C[5]CO){1|O<1>,2|C<3>}	O(C[5]C[5]S[5]C)(H)	113.0790	0.000	1	113.0790	0.000	1	113.0790	0.000	1	113.0790	0.000	1	112.0080	0.577	6	112.0080	0.577	6
474	891	893	0:SP3_SP2_SP3	C[5]	S[5]	O	3:3:2:2:	4:3:	4:4:	C[6a]-3:N[5]-3:S[5]-2:O-2:	C[5]-4:C[5]-3:	C[5]-4:C-4:	C[5](C[6a]C[6a]2)(N[5]C[5]S)(S[5]C[5])(OC)	S[5](C[5]C[6a]N[5]O)(C[5]C[6a]C[5])	O(C[5]C[6a]N[5]S[5])(CH3)	C[5](C[6a]C[6a]2)(N[5]C[5]S)(S[5]C[5])(OC){3|C<3>,3|H<1>}	S[5](C[5]C[6a]N[5]O)(C[5]C[6a]C[5]){1|H<1>,1|S<4>,4|C<3>}	O(C[5]C[6a]N[5]S[5])(CH3)	111.5250	0.000	1	111.5250	0.000	1	111.5250	0.000	1	111.5250	0.000	1	112.0080	0.577	6	112.0080	0.577	6
474	891	893	0:SP3_SP2_SP3	C[5]	S[5]	O	4:2:2:1:	4:3:	4:4:	C[5]-4:S[5]-2:O-2:H-1:	C[5]-4:C[5]-3:	C[5]-4:C-4:	C[5](C[5]C[5]N[5]C)(S[5]C[5])(OC)(H)	S[5](C[5]C[5]HO)(C[5]N[5]C)	O(C[5]C[5]S[5]H)(CCHH)	C[5](C[5]C[5]N[5]C)(S[5]C[5])(OC)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>}	S[5](C[5]C[5]HO)(C[5]N[5]C){2|C<4>}	O(C[5]C[5]S[5]H)(CCHH)	111.4560	0.000	1	111.4560	0.000	1	111.4560	0.000	1	111.4560	0.000	1	112.0080	0.577	6	112.0080	0.577	6
474	891	893	0:SP3_SP2_SP3	C[5]	S[5]	O	4:2:2:1:	4:4:	4:3:	C[5]-4:S[5]-2:O-2:H-1:	C[4,5]-4:C[5]-4:	C[5]-4:C-3:	C[5](C[5]C[4,5]CC)(S[5]C[4,5])(OC)(H)	S[5](C[4,5]C[4,5]C[6a]O[4])(C[5]C[5]HO)	O(C[5]C[5]S[5]H)(CCO)	C[5](C[5]C[4,5]CC)(S[5]C[4,5])(OC)(H){1|C<3>,1|C<4>,2|O<2>}	S[5](C[4,5]C[4,5]C[6a]O[4])(C[5]C[5]HO){1|O<2>,2|C<3>,3|C<4>}	O(C[5]C[5]S[5]H)(CCO)	111.1580	0.000	1	111.1580	0.000	1	111.9210	1.164	2	111.9960	0.599	3	112.0080	0.577	6	112.0080	0.577	6
474	891	893	0:SP3_SP2_SP3	C[5]	S[5]	O	4:2:2:1:	4:4:	4:3:	C[5]-4:S[5]-2:O-2:H-1:	C[4,5]-4:C[5]-4:	C[5]-4:C-3:	C[5](C[5]C[4,5]CH)(S[5]C[4,5])(OC)(H)	S[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]HO)	O(C[5]C[5]S[5]H)(CCO)	C[5](C[5]C[4,5]CH)(S[5]C[4,5])(OC)(H){1|C<3>,1|C<4>,2|H<1>}	S[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]HO){2|Cl<1>,2|C<3>,2|H<1>}	O(C[5]C[5]S[5]H)(CCO)	112.6840	0.000	1	112.6840	0.000	1	111.9210	1.164	2	111.9960	0.599	3	112.0080	0.577	6	112.0080	0.577	6
474	891	893	0:SP3_SP2_SP3	C[5]	S[5]	O	4:2:2:1:	4:4:	4:3:	C[5]-4:S[5]-2:O-2:H-1:	C[5]-4:C[5]-4:	C[5]-4:C-3:	C[5](C[5]C[5]HO)(S[5]C[5])(OC)(H)	S[5](C[5]C[5]CH)(C[5]C[5]HO)	O(C[5]C[5]S[5]H)(CCO)	C[5](C[5]C[5]HO)(S[5]C[5])(OC)(H){1|C<4>,1|O<2>,2|H<1>}	S[5](C[5]C[5]CH)(C[5]C[5]HO){2|H<1>,2|O<2>}	O(C[5]C[5]S[5]H)(CCO)	112.1460	0.000	1	112.1460	0.000	1	112.1460	0.000	1	111.9960	0.599	3	112.0080	0.577	6	112.0080	0.577	6
474	891	893	0:SP3_SP3_SP3	C[5,6]	S[5]	O	3:4:2:2:	4:3:	4:4:	C[5,6]-3:C[6]-4:S[5]-2:O-2:	C[5,6]-4:N[5]-3:	C[5,6]-4:C-4:	C[5,6](C[5,6]C[6,6a]N[5])(C[6]C[6a]O[6]O)(S[5]N[5])(OC)	S[5](C[5,6]C[5,6]C[6]O)(N[5]C[6a]N[5])	O(C[5,6]C[5,6]C[6]S[5])(CCHH)	C[5,6](C[5,6]C[6,6a]N[5])(C[6]C[6a]O[6]O)(S[5]N[5])(OC){5|C<3>}	S[5](C[5,6]C[5,6]C[6]O)(N[5]C[6a]N[5]){2|O<2>,4|C<3>}	O(C[5,6]C[5,6]C[6]S[5])(CCHH)	114.5990	0.000	1	114.5990	0.000	1	114.5990	0.000	1	114.5990	0.000	1	114.5990	0.000	1	112.6309	2.793	8
474	891	893	0:SP3_SP3_SP3	C[5]	S[5]	O	2:3:4:2:	4:4:	4:1:	S[5]-2:C[5]-3:C-4:O-2:	C[5,6]-4:C[5]-4:	C[5]-4:H-1:	C[5](S[5]C[5,6])(C[5]N[5]O)(CH3)(OH)	S[5](C[5,6]C[6]2N[5])(C[5]C[5]CO)	O(C[5]C[5]S[5]C)(H)	C[5](S[5]C[5,6])(C[5]N[5]O)(CH3)(OH){3|C<4>}	S[5](C[5,6]C[6]2N[5])(C[5]C[5]CO){1|O<1>,3|C<4>,4|H<1>}	O(C[5]C[5]S[5]C)(H)	110.7270	0.103	2	110.7270	0.011	2	110.7270	0.011	2	110.7270	0.011	2	112.3497	2.521	7	112.6309	2.793	8
474	891	893	0:SP3_SP3_SP3	C[5]	S[5]	O	4:2:2:1:	4:4:	4:4:	C[5]-4:S[5]-2:O-2:H-1:	C[4,5]-4:C[5]-4:	C[5]-4:C-4:	C[5](C[5]C[4,5]CH)(S[5]C[4,5])(OC)(H)	S[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]HO)	O(C[5]C[5]S[5]H)(CC3)	C[5](C[5]C[4,5]CH)(S[5]C[4,5])(OC)(H){1|C<3>,1|C<4>,2|H<1>}	S[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]HO){2|Cl<1>,2|C<3>,2|H<1>}	O(C[5]C[5]S[5]H)(CC3)	114.6740	0.000	1	114.6740	0.000	1	113.5485	0.567	4	113.5485	0.567	4	112.3497	2.521	7	112.6309	2.793	8
474	891	893	0:SP3_SP3_SP3	C[5]	S[5]	O	4:2:2:1:	4:4:	4:4:	C[5]-4:S[5]-2:O-2:H-1:	C[4,5]-4:C[5]-4:	C[5]-4:C-4:	C[5](C[5]C[4,5]CH)(S[5]C[4,5])(OC)(H)	S[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]HO)	O(C[5]C[5]S[5]H)(CH3)	C[5](C[5]C[4,5]CH)(S[5]C[4,5])(OC)(H){1|C<3>,1|C<4>,2|H<1>}	S[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]HO){2|Cl<1>,2|C<3>,2|H<1>}	O(C[5]C[5]S[5]H)(CH3)	113.1733	0.075	3	113.1733	0.006	3	113.5485	0.567	4	113.5485	0.567	4	112.3497	2.521	7	112.6309	2.793	8
474	891	893	0:SP3_SP3_SP3	C[5]	S[5]	O	4:3:2:2:	4:4:	4:1:	C[4,5]-4:C[6a]-3:S[5]-2:O-2:	C[5]-4:C[5]-4:	C[5]-4:H-1:	C[5](C[4,5]C[4,5]C[4]C)(C[6a]C[6a]2)(S[5]C[5])(OH)	S[5](C[5]C[4,5]C[6a]O)(C[5]C[4,5]CH)	O(C[5]C[4,5]C[6a]S[5])(H)	C[5](C[4,5]C[4,5]C[4]C)(C[6a]C[6a]2)(S[5]C[5])(OH){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	S[5](C[5]C[4,5]C[6a]O)(C[5]C[4,5]CH){1|C<4>,1|O<2>,4|C<3>}	O(C[5]C[4,5]C[6a]S[5])(H)	110.8000	0.000	1	110.8000	0.000	1	110.8000	0.000	1	110.8000	0.000	1	112.3497	2.521	7	112.6309	2.793	8
474	891	930	0:SP3_SP2_SP2	C[5,6]	S[5]	C	3:3:2:3:	4:3:	4:1:1:	C[6,6a]-3:N[5,6]-3:S[5]-2:C-3:	C[5,6]-4:C[5]-3:	C[5,6]-4:O-1:O-1:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(S[5]C[5])(COO)	S[5](C[5,6]C[6,6a]N[5,6]C)(C[5]N[5]N)	C(C[5,6]C[6,6a]N[5,6]S[5])(O)2	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(S[5]C[5])(COO){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	S[5](C[5,6]C[6,6a]N[5,6]C)(C[5]N[5]N){3|C<3>}	C(C[5,6]C[6,6a]N[5,6]S[5])(O)2	108.7890	0.000	1	108.7890	0.000	1	108.7890	0.000	1	108.7890	0.000	1	108.7890	0.000	1	108.4751	5.409	27
474	891	930	0:SP3_SP2_SP2	C[5]	S[5]	C	3:2:3:1:	3:4:	4:3:1:	N[5]-3:S[5]-2:C-3:H-1:	C[5,6a]-3:C[5]-4:	C[5]-4:C-3:H-1:	C[5](N[5]C[5,6a]S)(S[5]C[5,6a])(CCH)(H)	S[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)	C(C[5]N[5]S[5]H)(CC[6a]H)(H)	C[5](N[5]C[5,6a]S)(S[5]C[5,6a])(CCH)(H){2|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH){1|H<1>,1|S<4>,2|C<3>}	C(C[5]N[5]S[5]H)(CC[6a]H)(H)	112.1750	0.000	1	112.1750	0.000	1	112.1750	0.000	1	112.1750	0.000	1	108.4630	5.622	26	108.4751	5.409	27
474	891	930	0:SP3_SP2_SP2	C[5]	S[5]	C	3:2:3:3:	3:4:	4:2:1:	C[5]-3:S[5]-2:C-3:C-3:	C[5,6a]-3:C[5]-4:	C[5]-4:O-2:O-1:	C[5](C[5]C[5,6a]O)(S[5]C[5,6a])(COO)2	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)	C(C[5]C[5]S[5]C)(OC)(O)	C[5](C[5]C[5,6a]O)(S[5]C[5,6a])(COO)2{2|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5]S[5]C)(OC)(O)	110.2680	4.687	2	110.2680	21.965	2	110.2680	21.965	2	110.2680	21.965	2	108.4630	5.622	26	108.4751	5.409	27
474	891	930	0:SP3_SP2_SP2	C[5]	S[5]	C	3:2:4:3:	4:3:	4:3:1:	N[5]-3:S[5]-2:C-4:C-3:	C[5]-4:C[5]-3:	C[5]-4:C-3:H-1:	C[5](N[5]N[5]C)(S[5]C[5])(CCHH)(CCH)	S[5](C[5]N[5]CC)(C[5]N[5]N)	C(C[5]N[5]S[5]C)(CCC)(H)	C[5](N[5]N[5]C)(S[5]C[5])(CCHH)(CCH){1|N<3>}	S[5](C[5]N[5]CC)(C[5]N[5]N){1|C<3>}	C(C[5]N[5]S[5]C)(CCC)(H)	111.8260	0.000	1	111.8260	0.000	1	111.8260	0.000	1	111.8260	0.000	1	108.4630	5.622	26	108.4751	5.409	27
474	891	930	0:SP3_SP2_SP2	C[5]	S[5]	C	3:3:2:3:	3:4:	4:3:1:	N[5]-3:C[6a]-3:S[5]-2:C-3:	C[5,6a]-3:C[5]-4:	C[5]-4:C-3:H-1:	C[5](N[5]C[5,6a]C)(C[6a]C[6a]2)(S[5]C[5,6a])(CCH)	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)	C(C[5]C[6a]N[5]S[5])(CC[6a]H)(H)	C[5](N[5]C[5,6a]C)(C[6a]C[6a]2)(S[5]C[5,6a])(CCH){2|H<1>,4|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C){1|H<1>,5|C<3>}	C(C[5]C[6a]N[5]S[5])(CC[6a]H)(H)	105.2290	0.000	1	105.2290	0.000	1	105.2290	0.000	1	105.2290	0.000	1	108.4630	5.622	26	108.4751	5.409	27
474	891	930	0:SP3_SP2_SP2	C[5]	S[5]	C	3:4:2:3:	4:3:	4:3:1:	C[6a]-3:C[5]-4:S[5]-2:C-3:	C[5]-4:C[5]-3:	C[5]-4:N-3:O-1:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(S[5]C[5])(CNO)	S[5](C[5]C[6a]C[5]C)(C[5]C[5]N)	C(C[5]C[6a]C[5]S[5])(NC[6a]H)(O)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(S[5]C[5])(CNO){2|C<3>,2|H<1>,2|N<3>}	S[5](C[5]C[6a]C[5]C)(C[5]C[5]N){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(C[5]C[6a]C[5]S[5])(NC[6a]H)(O)	110.5125	1.013	2	110.5125	1.027	2	110.5125	1.027	2	110.5125	1.027	2	108.4630	5.622	26	108.4751	5.409	27
474	891	930	0:SP3_SP2_SP2	C[5]	S[5]	C	4:2:3:1:	3:4:	4:2:1:	C[5]-4:S[5]-2:C-3:H-1:	C[5]-3:C[5]-4:	C[5]-4:O-2:O-1:	C[5](C[5]N[5]CO)(S[5]C[5])(COO)(H)	S[5](C[5]C[6a]N[5])(C[5]C[5]CH)	C(C[5]C[5]S[5]H)(OC)(O)	C[5](C[5]N[5]CO)(S[5]C[5])(COO)(H){1|C<3>}	S[5](C[5]C[6a]N[5])(C[5]C[5]CH){1|C<4>,1|O<2>,2|C<3>}	C(C[5]C[5]S[5]H)(OC)(O)	111.6610	0.000	1	111.6610	0.000	1	111.6610	0.000	1	111.6610	0.000	1	108.4630	5.622	26	108.4751	5.409	27
474	891	930	0:SP3_SP2_SP2	C[5]	S[5]	C	4:2:3:1:	3:4:	4:3:1:	C[5]-4:S[5]-2:C-3:H-1:	C[5,6a]-3:C[5]-4:	C[5]-4:C[6a]-3:O-1:	C[5](C[5]C[5,6a]CO)(S[5]C[5,6a])(CC[6a]O)(H)	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)	C(C[5]C[5]S[5]H)(C[6a]C[6a]2)(O)	C[5](C[5]C[5,6a]CO)(S[5]C[5,6a])(CC[6a]O)(H){2|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH){1|H<1>,1|O<2>,3|C<3>}	C(C[5]C[5]S[5]H)(C[6a]C[6a]2)(O)	104.1680	0.000	1	104.1680	0.000	1	105.3780	2.928	2	105.3780	2.928	2	108.4630	5.622	26	108.4751	5.409	27
474	891	930	0:SP3_SP2_SP2	C[5]	S[5]	C	4:2:3:1:	3:4:	4:3:1:	C[5]-4:S[5]-2:C-3:H-1:	C[5,6a]-3:C[5]-4:	C[5]-4:C[6a]-3:O-1:	C[5](C[5]C[5,6a]HH)(S[5]C[5,6a])(CC[6a]O)(H)	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)	C(C[5]C[5]S[5]H)(C[6a]C[6a]2)(O)	C[5](C[5]C[5,6a]HH)(S[5]C[5,6a])(CC[6a]O)(H){2|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH){2|C<3>,3|H<1>}	C(C[5]C[5]S[5]H)(C[6a]C[6a]2)(O)	106.5880	0.000	1	106.5880	0.000	1	105.3780	2.928	2	105.3780	2.928	2	108.4630	5.622	26	108.4751	5.409	27
474	891	930	0:SP3_SP2_SP2	C[5]	S[5]	C	4:2:3:1:	4:3:	4:2:1:	C[5,6]-4:S[5]-2:C-3:H-1:	C[5]-4:C[5]-3:	C[5]-4:O-2:O-1:	C[5](C[5,6]C[6,6a]2N[5])(S[5]C[5])(COO)(H)	S[5](C[5]C[5,6]CH)(C[5]N[5]O)	C(C[5]C[5,6]S[5]H)(OC)(O)	C[5](C[5,6]C[6,6a]2N[5])(S[5]C[5])(COO)(H){1|O<2>,4|C<3>}	S[5](C[5]C[5,6]CH)(C[5]N[5]O){2|C<3>}	C(C[5]C[5,6]S[5]H)(OC)(O)	110.9710	0.000	1	110.9710	0.000	1	110.9710	0.000	1	109.5450	4.067	2	108.4630	5.622	26	108.4751	5.409	27
474	891	930	0:SP3_SP2_SP2	C[5]	S[5]	C	4:2:3:1:	4:3:	4:2:1:	C[5]-4:S[5]-2:C-3:H-1:	C[5]-4:C[5]-3:	C[5]-4:O-2:O-1:	C[5](C[5]C[6a]N[5]H)(S[5]C[5])(COO)(H)	S[5](C[5]C[5]CH)(C[5]N[5]C)	C(C[5]C[5]S[5]H)(OH)(O)	C[5](C[5]C[6a]N[5]H)(S[5]C[5])(COO)(H){4|C<3>}	S[5](C[5]C[5]CH)(C[5]N[5]C){1|H<1>,2|C<3>}	C(C[5]C[5]S[5]H)(OH)(O)	108.1190	0.000	1	108.1190	0.000	1	108.1190	0.000	1	109.5450	4.067	2	108.4630	5.622	26	108.4751	5.409	27
474	891	930	0:SP3_SP2_SP2	C[5]	S[5]	C	4:2:3:1:	4:3:	4:3:1:	C[5]-4:S[5]-2:C-3:H-1:	C[5]-4:C[5]-3:	C[5]-4:N-3:O-1:	C[5](C[5]C[5a]C[5]H)(S[5]C[5])(CNO)(H)	S[5](C[5]C[5]CH)(C[5]C[5]N)	C(C[5]C[5]S[5]H)(NCH)(O)	C[5](C[5]C[5a]C[5]H)(S[5]C[5])(CNO)(H){1|C<2>,1|C<3>,1|N<3>,1|S<2>}	S[5](C[5]C[5]CH)(C[5]C[5]N){1|C<2>,1|C<3>,1|H<1>}	C(C[5]C[5]S[5]H)(NCH)(O)	108.0230	0.000	1	108.0230	0.000	1	107.1548	0.833	9	107.1548	0.833	9	108.4630	5.622	26	108.4751	5.409	27
474	891	930	0:SP3_SP2_SP2	C[5]	S[5]	C	4:2:3:1:	4:3:	4:3:1:	C[5]-4:S[5]-2:C-3:H-1:	C[5]-4:C[5]-3:	C[5]-4:N-3:O-1:	C[5](C[5]C[6a]C[5]H)(S[5]C[5])(CNO)(H)	S[5](C[5]C[5]CH)(C[5]C[5]N)	C(C[5]C[5]S[5]H)(NCH)(O)	C[5](C[5]C[6a]C[5]H)(S[5]C[5])(CNO)(H){1|C<2>,1|N<3>,2|C<3>}	S[5](C[5]C[5]CH)(C[5]C[5]N){1|C<2>,1|C<3>,1|H<1>}	C(C[5]C[5]S[5]H)(NCH)(O)	107.0463	0.911	8	107.0463	0.831	8	107.1548	0.833	9	107.1548	0.833	9	108.4630	5.622	26	108.4751	5.409	27
474	891	930	0:SP3_SP2_SP2	C[5]	S[5]	C	4:2:3:3:	3:4:	4:2:1:	C[5]-4:S[5]-2:C-3:C-3:	C[5,6a]-3:C[5]-4:	C[5]-4:O-2:O-1:	C[5](C[5]C[5,6a]HO)(S[5]C[5,6a])(COO)2	S[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]CC)	C(C[5]C[5]S[5]C)(OC)(O)	C[5](C[5]C[5,6a]HO)(S[5]C[5,6a])(COO)2{1|C<3>,1|N<2>}	S[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]CC){1|H<1>,1|O<2>,2|C<3>}	C(C[5]C[5]S[5]C)(OC)(O)	108.8775	1.335	4	108.8775	1.781	4	108.8775	1.781	4	108.8775	1.781	4	108.4630	5.622	26	108.4751	5.409	27
474	891	930	0:SP3_SP2_SP2	C[5]	S[5]	C	4:2:4:3:	4:3:	4:3:1:	C[5]-4:S[5]-2:C-4:C-3:	C[5]-4:C[5]-3:	C[5]-4:N-3:O-1:	C[5](C[5]C[6a]C[5]H)(S[5]C[5])(CH3)(CNO)	S[5](C[5]C[5]CC)(C[5]C[5]S)	C(C[5]C[5]S[5]C)(NC[6a]H)(O)	C[5](C[5]C[6a]C[5]H)(S[5]C[5])(CH3)(CNO){1|S<1>,3|C<3>}	S[5](C[5]C[5]CC)(C[5]C[5]S){1|H<1>,2|C<3>}	C(C[5]C[5]S[5]C)(NC[6a]H)(O)	107.8380	0.000	1	107.8380	0.000	1	107.8380	0.000	1	107.8380	0.000	1	108.4630	5.622	26	108.4751	5.409	27
474	891	930	0:SP3_SP2_SP3	C[5,6]	S[5,6]	C	4:2:3:3:	4:4:	4:3:1:	C[3x5,6]-4:S[5,6]-2:C[6a]-3:C-3:	C[5,5,6]-4:C[5,6]-4:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[3x5,6]N[5,5,6]S[5,5]S[5])(S[5,6]C[5,5,6])(C[6a]C[6a]2)(CN[5]O)	S[5,6](C[5,5,6]C[5,6]S[5,5]C[6a])(C[5,6]C[3x5,6]C[6a]C)	C(C[5,6]C[3x5,6]S[5,6]C[6a])(N[5]C[5]2)(O)	C[5,6](C[3x5,6]N[5,5,6]S[5,5]S[5])(S[5,6]C[5,5,6])(C[6a]C[6a]2)(CN[5]O){2|C<4>,2|H<1>,4|C<3>}	S[5,6](C[5,5,6]C[5,6]S[5,5]C[6a])(C[5,6]C[3x5,6]C[6a]C){1|N<3>,1|O<1>,1|S<2>,4|C<3>}	C(C[5,6]C[3x5,6]S[5,6]C[6a])(N[5]C[5]2)(O)	109.2737	0.688	3	109.2737	0.474	3	109.2737	0.474	3	109.2737	0.474	3	109.2737	0.474	3	109.5364	14.885	31
474	891	930	0:SP3_SP2_SP3	C[5]	S[5]	C	2:2:3:1:	4:4:	4:2:1:	O[5]-2:S[5]-2:C-3:H-1:	C[5]-4:C[5]-4:	C[5]-4:O-2:O-1:	C[5](O[5]C[5])(S[5]C[5])(COO)(H)	S[5](C[5]C[5]HH)(C[5]O[5]CH)	C(C[5]O[5]S[5]H)(OC[6])(O)	C[5](O[5]C[5])(S[5]C[5])(COO)(H){1|O<2>,3|H<1>}	S[5](C[5]C[5]HH)(C[5]O[5]CH){1|H<1>,1|O<2>}	C(C[5]O[5]S[5]H)(OC[6])(O)	108.2170	0.000	1	108.2170	0.000	1	108.2170	0.000	1	108.2170	0.000	1	109.5645	16.495	28	109.5364	14.885	31
474	891	930	0:SP3_SP2_SP3	C[5]	S[5]	C	2:3:4:3:	4:4:	4:3:3:	S[5]-2:C[5]-3:C-4:C-3:	C[5,5]-4:C[5]-4:	C[5]-4:C-3:C-3:	C[5](S[5]C[5,5])(C[5]N[5]C)(CH3)(CCC)	S[5](C[5,5]C[5]2N[5])(C[5]C[5]CC)	C(C[5]C[5]S[5]C)(CCH)(COO)	C[5](S[5]C[5,5])(C[5]N[5]C)(CH3)(CCC){1|C<3>,2|C<4>}	S[5](C[5,5]C[5]2N[5])(C[5]C[5]CC){1|O<2>,2|C<4>,4|C<3>}	C(C[5]C[5]S[5]C)(CCH)(COO)	107.0900	0.000	1	107.0900	0.000	1	107.0900	0.000	1	107.0900	0.000	1	109.5645	16.495	28	109.5364	14.885	31
474	891	930	0:SP3_SP2_SP3	C[5]	S[5]	C	3:2:3:1:	4:4:	4:2:1:	C[5,6a]-3:S[5]-2:C-3:H-1:	C[5]-4:C[5]-4:	C[5]-4:O-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(S[5]C[5])(COO)(H)	S[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)	C(C[5]C[5,6a]S[5]H)(OH)(O)	C[5](C[5,6a]C[5,6a]C[6a])(S[5]C[5])(COO)(H){2|C<3>,3|H<1>}	S[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH){2|C<3>}	C(C[5]C[5,6a]S[5]H)(OH)(O)	108.1660	0.000	1	108.1660	0.000	1	108.1660	0.000	1	108.1660	0.000	1	109.5645	16.495	28	109.5364	14.885	31
474	891	930	0:SP3_SP2_SP3	C[5]	S[5]	C	3:2:3:3:	4:4:	4:2:1:	N[5]-3:S[5]-2:C-3:C-3:	C[5,5]-4:C[5]-4:	C[5]-4:O-2:O-1:	C[5](N[5]C[6a]C[5])(S[5]C[5,5])(COO)2	S[5](C[5,5]C[5,6a]2C[5])(C[5]N[5]CC)	C(C[5]N[5]S[5]C)(OC)(O)	C[5](N[5]C[6a]C[5])(S[5]C[5,5])(COO)2{1|H<1>,5|C<3>}	S[5](C[5,5]C[5,6a]2C[5])(C[5]N[5]CC){1|H<1>,6|C<3>}	C(C[5]N[5]S[5]C)(OC)(O)	107.5370	4.429	2	107.5370	19.619	2	107.5370	19.619	2	108.8236	10.507	8	109.5645	16.495	28	109.5364	14.885	31
474	891	930	0:SP3_SP2_SP3	C[5]	S[5]	C	3:2:3:3:	4:4:	4:2:1:	N[5]-3:S[5]-2:C-3:C-3:	C[5]-4:C[5]-4:	C[5]-4:O-2:O-1:	C[5](N[5]C[6a]C[5])(S[5]C[5])(COO)2	S[5](C[5]C[6a]2C[5])(C[5]N[5]CC)	C(C[5]N[5]S[5]C)(OC)(O)	C[5](N[5]C[6a]C[5])(S[5]C[5])(COO)2{1|H<1>,5|C<3>}	S[5](C[5]C[6a]2C[5])(C[5]N[5]CC){1|H<1>,6|C<3>}	C(C[5]N[5]S[5]C)(OC)(O)	108.7820	3.801	4	108.7820	14.446	4	108.7820	14.446	4	108.8236	10.507	8	109.5645	16.495	28	109.5364	14.885	31
474	891	930	0:SP3_SP2_SP3	C[5]	S[5]	C	3:2:3:3:	4:4:	4:2:1:	S[5]-3:S[5]-2:C-3:C-3:	C[5]-4:C[5]-4:	C[5]-4:O-2:O-1:	C[5](S[5]C[5]O)(S[5]C[5])(CCO)(COO)	S[5](C[5]C[5]HH)(C[5]S[5]CC)	C(C[5]S[5]2C)(OC)(O)	C[5](S[5]C[5]O)(S[5]C[5])(CCO)(COO){4|H<1>}	S[5](C[5]C[5]HH)(C[5]S[5]CC){1|O<1>,2|H<1>}	C(C[5]S[5]2C)(OC)(O)	110.1935	1.877	2	110.1935	3.525	2	110.1935	3.525	2	108.8236	10.507	8	109.5645	16.495	28	109.5364	14.885	31
474	891	930	0:SP3_SP2_SP3	C[5]	S[5]	C	3:2:3:3:	4:4:	4:3:1:	S[5]-3:S[5]-2:C-3:C-3:	C[5]-4:C[5]-4:	C[5]-4:N-3:O-1:	C[5](S[5]C[5]O)(S[5]C[5])(CCO)(CNO)	S[5](C[5]C[5]HH)(C[5]S[5]CC)	C(C[5]S[5]2C)(NC[6a]C)(O)	C[5](S[5]C[5]O)(S[5]C[5])(CCO)(CNO){4|H<1>}	S[5](C[5]C[5]HH)(C[5]S[5]CC){1|O<1>,2|H<1>}	C(C[5]S[5]2C)(NC[6a]C)(O)	107.5175	0.095	2	107.5175	0.009	2	110.5647	27.860	3	110.5647	27.860	3	109.5645	16.495	28	109.5364	14.885	31
474	891	930	0:SP3_SP2_SP3	C[5]	S[5]	C	3:2:3:3:	4:4:	4:3:1:	S[5]-3:S[5]-2:C-3:C-3:	C[5]-4:C[5]-4:	C[5]-4:N-3:O-1:	C[5](S[5]C[5]O)(S[5]C[5])(CCO)(CNO)	S[5](C[5]C[5]HH)(C[5]S[5]CC)	C(C[5]S[5]2C)(NC[6a]H)(O)	C[5](S[5]C[5]O)(S[5]C[5])(CCO)(CNO){4|H<1>}	S[5](C[5]C[5]HH)(C[5]S[5]CC){1|O<1>,2|H<1>}	C(C[5]S[5]2C)(NC[6a]H)(O)	116.6590	0.000	1	116.6590	0.000	1	110.5647	27.860	3	110.5647	27.860	3	109.5645	16.495	28	109.5364	14.885	31
474	891	930	0:SP3_SP2_SP3	C[5]	S[5]	C	3:2:3:3:	4:4:	4:4:1:	S[5]-3:S[5]-2:C-3:C-3:	C[5]-4:C[5]-4:	C[5]-4:C-4:O-1:	C[5](S[5]C[5]O)(S[5]C[5])(CCO)(CNO)	S[5](C[5]C[5]HH)(C[5]S[5]CC)	C(C[5]S[5]2C)(CH3)(O)	C[5](S[5]C[5]O)(S[5]C[5])(CCO)(CNO){4|H<1>}	S[5](C[5]C[5]HH)(C[5]S[5]CC){1|O<1>,2|H<1>}	C(C[5]S[5]2C)(CH3)(O)	109.7570	5.643	3	109.7570	31.843	3	110.7074	26.826	5	110.7074	26.826	5	109.5645	16.495	28	109.5364	14.885	31
474	891	930	0:SP3_SP2_SP3	C[5]	S[5]	C	3:2:3:3:	4:4:	4:4:1:	S[5]-3:S[5]-2:C-3:C-3:	C[5]-4:C[5]-4:	C[5]-4:C-4:O-1:	C[5](S[5]C[5]O)(S[5]C[5])(CCO)(COO)	S[5](C[5]C[5]HH)(C[5]S[5]CC)	C(C[5]S[5]2C)(CH3)(O)	C[5](S[5]C[5]O)(S[5]C[5])(CCO)(COO){4|H<1>}	S[5](C[5]C[5]HH)(C[5]S[5]CC){1|O<1>,2|H<1>}	C(C[5]S[5]2C)(CH3)(O)	112.1330	6.070	2	112.1330	36.843	2	110.7074	26.826	5	110.7074	26.826	5	109.5645	16.495	28	109.5364	14.885	31
474	891	930	0:SP3_SP2_SP3	C[5]	S[5]	C	3:3:2:3:	4:4:	4:2:1:	C[6a]-3:C[5]-3:S[5]-2:C-3:	C[5]-4:C[5]-4:	C[5]-4:O-2:O-1:	C[5](C[6a]C[6a]2)(C[5]C[5]N)(S[5]C[5])(COO)	S[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)	C(C[5]C[6a]C[5]S[5])(OC)(O)	C[5](C[6a]C[6a]2)(C[5]C[5]N)(S[5]C[5])(COO){2|C<3>,5|H<1>}	S[5](C[5]C[6a]C[5]C)(C[5]C[5]HH){1|H<1>,1|N<3>,2|C<3>}	C(C[5]C[6a]C[5]S[5])(OC)(O)	104.4980	0.000	1	104.4980	0.000	1	104.4980	0.000	1	104.4980	0.000	1	109.5645	16.495	28	109.5364	14.885	31
474	891	930	0:SP3_SP2_SP3	C[5]	S[5]	C	4:2:2:3:	4:4:	4:2:1:	C[6]-4:S[5]-2:S[5]-2:C-3:	C[5]-4:C[5]-4:	C[5]-4:O-2:O-1:	C[5](C[6]C[6]2H)(S[5]C[5])2(COO)	S[5](C[5]C[6]S[5]C)(C[5]C[5]HH)	C(C[5]C[6]S[5]2)(OC)(O)	C[5](C[6]C[6]2H)(S[5]C[5])2(COO){1|C<3>,2|C<4>,7|H<1>}	S[5](C[5]C[6]S[5]C)(C[5]C[5]HH){2|C<4>,3|H<1>}	C(C[5]C[6]S[5]2)(OC)(O)	108.3980	9.914	2	108.3980	98.280	2	108.3980	98.280	2	108.3980	98.280	2	109.5645	16.495	28	109.5364	14.885	31
474	891	930	0:SP3_SP2_SP3	C[5]	S[5]	C	4:2:3:1:	4:4:	4:2:1:	C[5,5]-4:S[5]-2:C-3:H-1:	C[5]-4:C[5]-4:	C[5]-4:O-2:O-1:	C[5](C[5,5]C[5,6a]C[5,5]O)(S[5]C[5])(COO)(H)	S[5](C[5]C[5,5]CH)2	C(C[5]C[5,5]S[5]H)(OC)(O)	C[5](C[5,5]C[5,6a]C[5,5]O)(S[5]C[5])(COO)(H){1|H<1>,1|O<2>,4|C<3>}	S[5](C[5]C[5,5]CH)2{2|C<3>,2|O<2>}	C(C[5]C[5,5]S[5]H)(OC)(O)	111.4560	2.783	2	111.4560	7.746	2	111.5640	3.908	3	111.2033	8.438	6	109.5645	16.495	28	109.5364	14.885	31
474	891	930	0:SP3_SP2_SP3	C[5]	S[5]	C	4:2:3:1:	4:4:	4:2:1:	C[5,5]-4:S[5]-2:C-3:H-1:	C[5]-4:C[5]-4:	C[5]-4:O-2:O-1:	C[5](C[5,5]C[5,6a]C[5]2)(S[5]C[5])(COO)(H)	S[5](C[5]C[5,5]CH)(C[5]C[5]HH)	C(C[5]C[5,5]S[5]H)(OC)(O)	C[5](C[5,5]C[5,6a]C[5]2)(S[5]C[5])(COO)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	S[5](C[5]C[5,5]CH)(C[5]C[5]HH){1|H<1>,1|O<2>,2|C<3>}	C(C[5]C[5,5]S[5]H)(OC)(O)	111.7800	0.000	1	111.7800	0.000	1	111.5640	3.908	3	111.2033	8.438	6	109.5645	16.495	28	109.5364	14.885	31
474	891	930	0:SP3_SP2_SP3	C[5]	S[5]	C	4:2:3:1:	4:4:	4:2:1:	C[5]-4:S[5]-2:C-3:H-1:	C[5]-4:C[5]-4:	C[5]-4:O-2:O-1:	C[5](C[5]S[5]CH)(S[5]C[5])(COO)(H)	S[5](C[5]C[6a]S[5]H)(C[5]C[5]CH)	C(C[5]C[5]S[5]H)(OC)(O)	C[5](C[5]S[5]CH)(S[5]C[5])(COO)(H){1|C<3>,1|H<1>}	S[5](C[5]C[6a]S[5]H)(C[5]C[5]CH){1|H<1>,3|C<3>}	C(C[5]C[5]S[5]H)(OC)(O)	112.8690	2.992	2	112.8690	8.955	2	112.8690	8.955	2	111.2033	8.438	6	109.5645	16.495	28	109.5364	14.885	31
474	891	930	0:SP3_SP2_SP3	C[5]	S[5]	C	4:2:3:1:	4:4:	4:2:1:	N[5]-4:S[5]-2:C-3:H-1:	C[5]-4:C[5]-4:	C[5]-4:O-2:O-1:	C[5](N[5]C[5]NiH)(S[5]C[5])(COO)(H)	S[5](C[5]C[5]HH)(C[5]N[5]CH)	C(C[5]N[5]S[5]H)(ONi)(O)	C[5](N[5]C[5]NiH)(S[5]C[5])(COO)(H){1|C<3>,3|H<1>}	S[5](C[5]C[5]HH)(C[5]N[5]CH){1|Ni<6>,1|C<3>,2|H<1>}	C(C[5]N[5]S[5]H)(ONi)(O)	106.7900	0.000	1	106.7900	0.000	1	106.7900	0.000	1	111.2033	8.438	6	109.5645	16.495	28	109.5364	14.885	31