786	643	983	0:SP3_SP1_SP2	B[5]	C[6a]	C	3:3:3:2:	3:3:4:	4:1:	C[5]-3:C[5]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:B[5]-4:	B[5]-4:O-1:	B[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)(CO)	C[6a](C[6a]C[6a]F)2(B[5]C[5]2C)	C(B[5]C[6a]C[5]2)(O)	B[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)(CO){2|F<1>,8|C<3>}	C[6a](C[6a]C[6a]F)2(B[5]C[5]2C){2|F<1>,5|C<3>}	C(B[5]C[6a]C[5]2)(O)	112.2660	0.000	1	112.2660	0.000	1	112.2660	0.000	1	112.2660	0.000	1	110.7925	4.342	2	110.7925	4.342	2
786	643	983	0:SP3_SP1_SP2	B[5]	C[6a]	C	4:3:3:2:	3:3:4:	4:2:	C[5]-4:C[5]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:B[5]-4:	B[5]-4:N-2:	B[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]F)2(B[5]C[5]2C)	C(B[5]C[6a]C[5]2)(NC)	B[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(C[6a]C[6a]2)(CN){1|H<1>,2|C<4>,2|F<1>,6|C<3>}	C[6a](C[6a]C[6a]F)2(B[5]C[5]2C){1|C<4>,1|H<1>,2|F<1>,4|C<3>}	C(B[5]C[6a]C[5]2)(NC)	109.3190	0.000	1	109.3190	0.000	1	109.3190	0.000	1	109.3190	0.000	1	110.7925	4.342	2	110.7925	4.342	2
786	643	992	0:SP3_SP2_SP3	B[5]	C[6a]	P	3:3:3:4:	3:3:4:	4:3:1:1:	C[5]-3:C[5]-3:C[6a]-3:P-4:	C[6a]-3:C[6a]-3:B[5]-4:	B[5]-4:C[6a]-3:H-1:H-1:	B[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)(PC[6a]HH)	C[6a](C[6a]C[6a]H)2(B[5]C[5]2P)	P(B[5]C[6a]C[5]2)(C[6a]C[6a]2)(H)2	B[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)(PC[6a]HH){2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]H)2(B[5]C[5]2P){2|H<1>,5|C<3>}	P(B[5]C[6a]C[5]2)(C[6a]C[6a]2)(H)2	112.4290	0.000	1	112.4290	0.000	1	112.4290	0.000	1	112.4290	0.000	1	112.4290	0.000	1	112.4290	0.000	1
786	643	999	0:SP3_SP2_SP3	B[5,5]	C[6a]	N[5,5]	3:4:2:2:	4:3:2:	4:4:4:4:	C[6a]-3:N[5,5]-4:O[5]-2:O[5]-2:	B[5,5]-4:C[6a]-3:N[6a]-2:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	B[5,5](C[6a]C[6a]N[6a])(N[5,5]C[5]2C)(O[5]C[5])2	C[6a](B[5,5]N[5,5]O[5]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(CH3)	B[5,5](C[6a]C[6a]N[6a])(N[5,5]C[5]2C)(O[5]C[5])2{2|C<3>,2|O<1>,5|H<1>}	C[6a](B[5,5]N[5,5]O[5]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>,3|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>}	114.2130	0.000	1	113.2710	1.775	2	114.1480	3.195	3	114.1480	3.195	3	116.3504	7.718	17	114.0987	16.585	28
786	643	999	0:SP3_SP2_SP3	B[5,5]	C[6a]	N[5,5]	3:4:2:2:	4:3:2:	4:4:4:4:	C[6a]-3:N[5,5]-4:O[5]-2:O[5]-2:	B[5,5]-4:C[6a]-3:N[6a]-2:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	B[5,5](C[6a]C[6a]N[6a])(N[5,5]C[5]2C)(O[5]C[5])2	C[6a](B[5,5]N[5,5]O[5]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(CH3)	B[5,5](C[6a]C[6a]N[6a])(N[5,5]C[5]2C)(O[5]C[5])2{2|C<3>,9|H<1>}	C[6a](B[5,5]N[5,5]O[5]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,1|C<3>,1|H<1>,5|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>,4|H<1>}	112.3290	0.000	1	113.2710	1.775	2	114.1480	3.195	3	114.1480	3.195	3	116.3504	7.718	17	114.0987	16.585	28
786	643	999	0:SP3_SP2_SP3	B[5,5]	C[6a]	N[5,5]	3:4:2:2:	4:3:2:	4:4:4:4:	C[6a]-3:N[5,5]-4:O[5]-2:O[5]-2:	B[5,5]-4:C[6a]-3:N[6a]-2:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	B[5,5](C[6a]C[6a]N[6a])(N[5,5]C[5]2C)(O[5]C[5])2	C[6a](B[5,5]N[5,5]O[5]2)(C[6a]N[6a]H)(N[6a]C[6a])	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(CH3)	B[5,5](C[6a]C[6a]N[6a])(N[5,5]C[5]2C)(O[5]C[5])2{1|C<3>,1|N<2>,2|O<1>,5|H<1>}	C[6a](B[5,5]N[5,5]O[5]2)(C[6a]N[6a]H)(N[6a]C[6a]){1|H<1>,3|C<3>,3|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>}	115.9020	0.000	1	115.9020	0.000	1	114.1480	3.195	3	114.1480	3.195	3	116.3504	7.718	17	114.0987	16.585	28
786	643	999	0:SP3_SP2_SP3	B[5,5]	C[6a]	N[5,5]	4:3:2:2:	4:3:3:	4:4:4:1:	N[5,5]-4:C[6a]-3:O[5]-2:O[5]-2:	B[5,5]-4:C[6a]-3:C[6a]-3:	B[5,5]-4:C[5]-4:C[5]-4:H-1:	B[5,5](N[5,5]C[5]2H)(C[6a]C[6a]2)(O[5]C[5])2	C[6a](B[5,5]N[5,5]O[5]2)(C[6a]C[6a]H)2	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(H)	B[5,5](N[5,5]C[5]2H)(C[6a]C[6a]2)(O[5]C[5])2{10|H<1>,2|C<3>}	C[6a](B[5,5]N[5,5]O[5]2)(C[6a]C[6a]H)2{1|C<3>,3|H<1>,4|C<4>}	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(H){2|C<3>,4|H<1>}	115.1390	2.513	2	115.1390	6.315	2	115.1390	6.315	2	115.1390	6.315	2	116.3504	7.718	17	114.0987	16.585	28
786	643	999	0:SP3_SP2_SP3	B[5,5]	C[6a]	N[5,5]	4:3:2:2:	4:3:3:	4:4:4:4:	N[5,5]-4:C[6a]-3:O[5]-2:O[5]-2:	B[5,5]-4:C[6a]-3:C[6a]-3:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	B[5,5](N[5,5]C[5]2C)(C[6a]C[6a]2)(O[5]C[5])2	C[6a](B[5,5]N[5,5]O[5]2)(C[6a]C[6a]Br)(C[6a]C[6a]H)	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(CH3)	B[5,5](N[5,5]C[5]2C)(C[6a]C[6a]2)(O[5]C[5])2{1|Br<1>,2|C<3>,2|O<1>,5|H<1>}	C[6a](B[5,5]N[5,5]O[5]2)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|F<1>,1|H<1>,3|C<3>,3|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>}	115.9060	0.000	1	115.9060	0.000	1	117.1029	7.863	12	117.1029	7.863	12	116.3504	7.718	17	114.0987	16.585	28
786	643	999	0:SP3_SP2_SP3	B[5,5]	C[6a]	N[5,5]	4:3:2:2:	4:3:3:	4:4:4:4:	N[5,5]-4:C[6a]-3:O[5]-2:O[5]-2:	B[5,5]-4:C[6a]-3:C[6a]-3:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	B[5,5](N[5,5]C[5]2C)(C[6a]C[6a]2)(O[5]C[5])2	C[6a](B[5,5]N[5,5]O[5]2)(C[6a]C[6a]C)(C[6a]N[6a]H)	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(CH3)	B[5,5](N[5,5]C[5]2C)(C[6a]C[6a]2)(O[5]C[5])2{1|C<3>,1|C<4>,1|N<2>,2|O<1>,5|H<1>}	C[6a](B[5,5]N[5,5]O[5]2)(C[6a]C[6a]C)(C[6a]N[6a]H){1|H<1>,3|C<3>,3|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>}	116.7680	0.000	1	116.7680	0.000	1	117.1029	7.863	12	117.1029	7.863	12	116.3504	7.718	17	114.0987	16.585	28
786	643	999	0:SP3_SP2_SP3	B[5,5]	C[6a]	N[5,5]	4:3:2:2:	4:3:3:	4:4:4:4:	N[5,5]-4:C[6a]-3:O[5]-2:O[5]-2:	B[5,5]-4:C[6a]-3:C[6a]-3:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	B[5,5](N[5,5]C[5]2C)(C[6a]C[6a]2)(O[5]C[5])2	C[6a](B[5,5]N[5,5]O[5]2)(C[6a]C[6a]F)(C[6a]C[6a]H)	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(CH3)	B[5,5](N[5,5]C[5]2C)(C[6a]C[6a]2)(O[5]C[5])2{1|F<1>,2|C<3>,2|O<1>,5|H<1>}	C[6a](B[5,5]N[5,5]O[5]2)(C[6a]C[6a]F)(C[6a]C[6a]H){1|H<1>,3|C<4>,4|C<3>}	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(CH3){2|C<3>,2|O<1>}	116.6660	0.000	1	116.6660	0.000	1	117.1029	7.863	12	117.1029	7.863	12	116.3504	7.718	17	114.0987	16.585	28
786	643	999	0:SP3_SP2_SP3	B[5,5]	C[6a]	N[5,5]	4:3:2:2:	4:3:3:	4:4:4:4:	N[5,5]-4:C[6a]-3:O[5]-2:O[5]-2:	B[5,5]-4:C[6a]-3:C[6a]-3:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	B[5,5](N[5,5]C[5]2C)(C[6a]C[6a]2)(O[5]C[5])2	C[6a](B[5,5]N[5,5]O[5]2)(C[6a]C[6a]H)2	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(CC3)	B[5,5](N[5,5]C[5]2C)(C[6a]C[6a]2)(O[5]C[5])2{10|H<1>,2|C<3>}	C[6a](B[5,5]N[5,5]O[5]2)(C[6a]C[6a]H)2{1|C<3>,2|F<1>,5|C<4>}	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(CC3){2|C<3>,4|H<1>}	122.6375	0.033	2	122.6375	0.001	2	117.1029	7.863	12	117.1029	7.863	12	116.3504	7.718	17	114.0987	16.585	28
786	643	999	0:SP3_SP2_SP3	B[5,5]	C[6a]	N[5,5]	4:3:2:2:	4:3:3:	4:4:4:4:	N[5,5]-4:C[6a]-3:O[5]-2:O[5]-2:	B[5,5]-4:C[6a]-3:C[6a]-3:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	B[5,5](N[5,5]C[5]2C)(C[6a]C[6a]2)(O[5]C[5])2	C[6a](B[5,5]N[5,5]O[5]2)(C[6a]C[6a]H)2	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(CCHH)	B[5,5](N[5,5]C[5]2C)(C[6a]C[6a]2)(O[5]C[5])2{2|C<3>,2|O<1>,6|H<1>}	C[6a](B[5,5]N[5,5]O[5]2)(C[6a]C[6a]H)2{2|H<1>,3|C<3>,3|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>}	116.9880	0.000	1	116.9880	0.000	1	117.1029	7.863	12	117.1029	7.863	12	116.3504	7.718	17	114.0987	16.585	28
786	643	999	0:SP3_SP2_SP3	B[5,5]	C[6a]	N[5,5]	4:3:2:2:	4:3:3:	4:4:4:4:	N[5,5]-4:C[6a]-3:O[5]-2:O[5]-2:	B[5,5]-4:C[6a]-3:C[6a]-3:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	B[5,5](N[5,5]C[5]2C)(C[6a]C[6a]2)(O[5]C[5])2	C[6a](B[5,5]N[5,5]O[5]2)(C[6a]C[6a]H)2	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(CH3)	B[5,5](N[5,5]C[5]2C)(C[6a]C[6a]2)(O[5]C[5])2{10|H<1>,2|C<3>}	C[6a](B[5,5]N[5,5]O[5]2)(C[6a]C[6a]H)2{1|C<3>,2|H<1>,5|C<4>}	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(CH3){2|C<3>,4|H<1>}	114.9800	0.000	1	115.6053	2.006	6	117.1029	7.863	12	117.1029	7.863	12	116.3504	7.718	17	114.0987	16.585	28
786	643	999	0:SP3_SP2_SP3	B[5,5]	C[6a]	N[5,5]	4:3:2:2:	4:3:3:	4:4:4:4:	N[5,5]-4:C[6a]-3:O[5]-2:O[5]-2:	B[5,5]-4:C[6a]-3:C[6a]-3:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	B[5,5](N[5,5]C[5]2C)(C[6a]C[6a]2)(O[5]C[5])2	C[6a](B[5,5]N[5,5]O[5]2)(C[6a]C[6a]H)2	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(CH3)	B[5,5](N[5,5]C[5]2C)(C[6a]C[6a]2)(O[5]C[5])2{2|C<3>,2|O<1>,6|H<1>}	C[6a](B[5,5]N[5,5]O[5]2)(C[6a]C[6a]H)2{2|H<1>,3|C<3>,3|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>}	115.7304	1.546	5	115.6053	2.006	6	117.1029	7.863	12	117.1029	7.863	12	116.3504	7.718	17	114.0987	16.585	28
786	643	999	0:SP3_SP2_SP3	B[5]	C[6a]	N[5]	3:3:3:4:	4:3:3:	4:4:4:4:	C[5,6a]-3:C[6a]-3:C[6a]-3:N[5]-4:	B[5]-4:C[6a]-3:C[6a]-3:	B[5]-4:C[5]-4:C-4:C-4:	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(N[5]C[5]CC)	C[6a](B[5]C[5,6a]C[6a]N[5])(C[6a]C[6a]H)2	N[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]CH)(CH3)2	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(N[5]C[5]CC){1|C<4>,6|C<3>,6|H<1>}	C[6a](B[5]C[5,6a]C[6a]N[5])(C[6a]C[6a]H)2{2|H<1>,3|C<4>,5|C<3>}	N[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]CH)(CH3)2{6|C<3>}	108.7225	0.629	4	108.7225	0.395	4	108.7225	0.395	4	108.7225	0.395	4	110.6189	10.492	11	114.0987	16.585	28
786	643	999	0:SP3_SP2_SP3	B[5]	C[6a]	N[5]	3:3:4:1:	4:3:3:	4:4:4:4:	B[5]-3:C[6a]-3:N[5]-4:I-1:	B[5]-4:C[6a]-3:C[6a]-3:	B[5]-4:C[5]-4:C-4:C-4:	B[5](B[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]CC)(I)	C[6a](B[5]B[5]N[5]I)(C[6a]C[6a]C)2	N[5](B[5]C[6a]B[5]I)(C[5]C[5]HH)(CCHH)2	B[5](B[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]CC)(I){2|C<4>,4|C<3>,4|H<1>}	C[6a](B[5]B[5]N[5]I)(C[6a]C[6a]C)2{2|C<3>,2|H<1>,4|C<4>}	N[5](B[5]C[6a]B[5]I)(C[5]C[5]HH)(CCHH)2{2|H<1>,3|C<3>}	112.8190	0.000	1	112.8190	0.000	1	112.8190	0.000	1	113.3625	0.591	2	110.6189	10.492	11	114.0987	16.585	28
786	643	999	0:SP3_SP2_SP3	B[5]	C[6a]	N[5]	3:3:4:1:	4:3:3:	4:4:4:4:	C[5,6a]-3:C[6a]-3:N[5]-4:H-1:	B[5]-4:C[6a]-3:C[6a]-3:	B[5]-4:C[5]-4:C-4:C-4:	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]CC)(H)	C[6a](B[5]C[5,6a]N[5]H)(C[6a]C[6a]C)2	N[5](B[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(CH3)2	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]CC)(H){2|H<1>,3|C<4>,4|C<3>}	C[6a](B[5]C[5,6a]N[5]H)(C[6a]C[6a]C)2{2|H<1>,3|C<3>,3|C<4>}	N[5](B[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(CH3)2{4|C<3>}	113.9060	0.000	1	113.9060	0.000	1	113.9060	0.000	1	113.3625	0.591	2	110.6189	10.492	11	114.0987	16.585	28
786	643	999	0:SP3_SP2_SP3	B[5]	C[6a]	N[5]	3:3:4:2:	4:3:3:	4:4:1:1:	C[5a]-3:C[6a]-3:N[5]-4:O[5]-2:	B[5]-4:C[6a]-3:C[6a]-3:	B[5]-4:C[5]-4:H-1:H-1:	B[5](C[5a]C[5a]S[5a])(C[6a]C[6a]2)(N[5]C[5]HH)(O[5]C[5])	C[6a](B[5]C[5a]N[5]O[5])(C[6a]C[6a]H)2	N[5](B[5]C[5a]C[6a]O[5])(C[5]C[5]HH)(H)2	B[5](C[5a]C[5a]S[5a])(C[6a]C[6a]2)(N[5]C[5]HH)(O[5]C[5]){4|C<3>,7|H<1>}	C[6a](B[5]C[5a]N[5]O[5])(C[6a]C[6a]H)2{1|S<2>,2|C<3>,2|C<4>,4|H<1>}	N[5](B[5]C[5a]C[6a]O[5])(C[5]C[5]HH)(H)2{1|S<2>,2|H<1>,3|C<3>}	108.8900	0.000	1	108.8900	0.000	1	108.8900	0.000	1	108.8900	0.000	1	110.6189	10.492	11	114.0987	16.585	28
786	643	999	0:SP3_SP2_SP3	B[5]	C[6a]	N[5]	4:3:3:4:	4:3:3:	4:3:4:4:	N[5]-4:C[6a]-3:C[6a]-3:C[5]-4:	B[5]-4:C[6a]-3:C[6a]-3:	B[5]-4:C[6a]-3:C[5]-4:C-4:	B[5](N[5]C[6a]C[5]C)(C[6a]C[6a]2)2(C[5]C[5]HH)	C[6a](B[5]C[6a]C[5]N[5])(C[6a]C[6a]F)2	N[5](B[5]C[6a]2C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(CCHH)	B[5](N[5]C[6a]C[5]C)(C[6a]C[6a]2)2(C[5]C[5]HH){4|F<1>,4|H<1>,6|C<3>}	C[6a](B[5]C[6a]C[5]N[5])(C[6a]C[6a]F)2{2|F<1>,2|H<1>,3|C<4>,4|C<3>}	N[5](B[5]C[6a]2C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(CCHH){6|C<3>,6|H<1>}	113.2260	7.289	2	113.2260	53.127	2	113.2260	53.127	2	113.2260	53.127	2	110.6189	10.492	11	114.0987	16.585	28
786	643	999	0:SP3_SP2_SP3	B[5]	C[6a]	N[5]	4:4:3:1:	4:3:3:	3:4:4:4:	C[5]-4:N[5]-4:C[6a]-3:Cl-1:	B[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:B[5]-4:C-4:C-4:	B[5](C[5]C[5,6a]HH)(N[5]C[5,6a]CC)(C[6a]C[6a]2)(Cl)	C[6a](B[5]C[5]N[5]Cl)(C[6a]C[6a]H)2	N[5](C[5,6a]C[5,6a]C[6a])(B[5]C[6a]C[5]Cl)(CH3)2	B[5](C[5]C[5,6a]HH)(N[5]C[5,6a]CC)(C[6a]C[6a]2)(Cl){2|H<1>,4|C<3>}	C[6a](B[5]C[5]N[5]Cl)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(B[5]C[6a]C[5]Cl)(CH3)2{3|H<1>,4|C<3>}	111.1570	0.000	1	111.1570	0.000	1	111.1570	0.000	1	111.1570	0.000	1	110.6189	10.492	11	114.0987	16.585	28
786	643	999	0:SP3_SP2_SP3	B[5]	C[6a]	N[5]	4:4:3:4:	4:3:3:	3:4:4:4:	C[5]-4:N[5]-4:C[6a]-3:C-4:	B[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:B[5]-4:C-4:C-4:	B[5](C[5]C[5,6a]HH)(N[5]C[5,6a]CC)(C[6a]C[6a]2)(CC[6a]HH)	C[6a](B[5]C[5]N[5]C)(C[6a]C[6a]H)2	N[5](C[5,6a]C[5,6a]C[6a])(B[5]C[6a]C[5]C)(CH3)2	B[5](C[5]C[5,6a]HH)(N[5]C[5,6a]CC)(C[6a]C[6a]2)(CC[6a]HH){2|H<1>,4|C<3>}	C[6a](B[5]C[5]N[5]C)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(B[5]C[6a]C[5]C)(CH3)2{3|H<1>,4|C<3>}	108.6940	0.000	1	108.6940	0.000	1	108.6940	0.000	1	108.6940	0.000	1	110.6189	10.492	11	114.0987	16.585	28
786	727	727	0:SP3_SP2_SP2	B[5,5]	C[5,6a]	C[5,6a]	3:3:2:2:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:O[5]-2:O[5]-2:	B[5,5]-4:C[5,6a]-3:C[6a]-3:	B[5,5]-4:C[5,6a]-3:C[6a]-3:	B[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]Si[5])2	C[5,6a](B[5,5]C[5,6a]O[5]2)(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[5,6a](B[5,5]C[5,6a]O[5]2)(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	B[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]Si[5])2{2|H<1>,4|C<3>,4|C<4>}	C[5,6a](B[5,5]C[5,6a]O[5]2)(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){1|Si<4>,1|F<1>,1|H<1>,2|C<4>,3|C<3>}	C[5,6a](B[5,5]C[5,6a]O[5]2)(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){1|Si<4>,1|F<1>,1|H<1>,2|C<4>,3|C<3>}	117.6150	0.000	1	117.6150	0.000	1	117.6150	0.000	1	117.6150	0.000	1	120.1382	15.371	11	119.7871	15.453	12
786	727	727	0:SP3_SP2_SP2	B[5,5]	C[5,6a]	C[5,6a]	3:3:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a]-3:B[5,5]-4:C[6a]-3:	B[5,5]-4:C[5,6a]-3:C[6a]-3:	B[5,5](C[5,6a]C[5,6a]C[6a])3(N[5]B[5,5]N)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5,5]C[5,6a]2N[5])(C[6a]C[6a]F)	C[5,6a](B[5,5]C[5,6a]2N[5])(C[5,6a]B[5,5]C[6a])(C[6a]C[6a]F)	B[5,5](C[5,6a]C[5,6a]C[6a])3(N[5]B[5,5]N){3|F<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5,5]C[5,6a]2N[5])(C[6a]C[6a]F){1|B<4>,1|N<2>,2|F<1>,5|C<3>}	C[5,6a](B[5,5]C[5,6a]2N[5])(C[5,6a]B[5,5]C[6a])(C[6a]C[6a]F){1|N<2>,2|F<1>,7|C<3>}	120.5943	3.043	4	120.5943	9.263	4	120.5943	9.263	4	120.5943	9.263	4	120.1382	15.371	11	119.7871	15.453	12
786	727	727	0:SP3_SP2_SP2	B[5,5]	C[5,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:N[5,6]-3:	B[5,5]-4:C[5,6a]-3:C[6a]-3:	B[5,5]-4:C[5,6a]-3:C[6a]-3:	B[5,5](C[5,6a]C[5,6a]C[6a])3(N[5,6]C[5,6]C[6])	C[5,6a](B[5,5]C[5,6a]2N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](B[5,5]C[5,6a]2N[5,6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	B[5,5](C[5,6a]C[5,6a]C[6a])3(N[5,6]C[5,6]C[6]){4|H<1>,8|C<3>}	C[5,6a](B[5,5]C[5,6a]2N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[5,6a](B[5,5]C[5,6a]2N[5,6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	119.3080	2.683	2	119.3080	7.197	2	119.3080	7.197	2	119.3080	7.197	2	120.1382	15.371	11	119.7871	15.453	12
786	727	727	0:SP3_SP2_SP2	B[5,5]	C[5,6a]	C[5,6a]	3:3:3:4:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:P[5]-4:	C[5,6a,6a]-3:B[5,5]-4:C[6a]-3:	C[5,6a]-3:B[5,5]-4:C[6a]-3:	B[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])2(P[5]C[5,6a]CC)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(B[5,5]C[5,6a]2P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5,5]C[5,6a]2P[5])(C[6a]C[6a]H)	B[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])2(P[5]C[5,6a]CC){3|H<1>,7|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(B[5,5]C[5,6a]2P[5])(C[6a]C[6a]H){1|H<1>,2|C<4>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5,5]C[5,6a]2P[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,6|C<3>}	119.4135	4.559	2	119.4135	20.782	2	119.4135	20.782	2	119.4135	20.782	2	120.1382	15.371	11	119.7871	15.453	12
786	727	727	0:SP3_SP2_SP2	B[5,5]	C[5,6a]	C[5,6a]	3:3:3:4:	3:4:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:N[5]-4:	C[5,6a]-3:B[5,5]-4:C[6a]-3:	B[5,5]-4:C[5,6a]-3:C[6a]-3:	B[5,5](C[5,6a]C[5,6a]C[6a])3(N[5]C[5]CC)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5,5]C[5,6a]2N[5])(C[6a]C[6a]H)	C[5,6a](B[5,5]C[5,6a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	B[5,5](C[5,6a]C[5,6a]C[6a])3(N[5]C[5]CC){1|C<4>,4|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5,5]C[5,6a]2N[5])(C[6a]C[6a]H){2|H<1>,3|C<4>,5|C<3>}	C[5,6a](B[5,5]C[5,6a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){2|C<4>,4|H<1>,5|C<3>}	122.0425	9.004	2	122.0425	81.065	2	122.0425	81.065	2	122.0425	81.065	2	120.1382	15.371	11	119.7871	15.453	12
786	727	727	0:SP3_SP2_SP2	B[5]	C[5a]	C[5a]	3:3:4:2:	4:3:2:	4:3:2:	C[5a]-3:C[5a]-3:N[5]-4:O[5]-2:	B[5]-4:C[5a]-3:S[5a]-2:	B[5]-4:C[5a]-3:S[5a]-2:	B[5](C[5a]C[5a]S[5a])2(N[5]C[5]HH)(O[5]C[5])	C[5a](B[5]C[5a]N[5]O[5])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](B[5]C[5a]N[5]O[5])(C[5a]C[5a]H)(S[5a]C[5a])	B[5](C[5a]C[5a]S[5a])2(N[5]C[5]HH)(O[5]C[5]){4|C<3>,6|H<1>}	C[5a](B[5]C[5a]N[5]O[5])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,1|S<2>,2|C<4>,4|H<1>}	C[5a](B[5]C[5a]N[5]O[5])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,1|S<2>,2|C<4>,4|H<1>}	115.9250	0.000	1	115.9250	0.000	1	115.9250	0.000	1	115.9250	0.000	1	115.9250	0.000	1	119.7871	15.453	12
786	727	727	5:SP3_SP2_SP2	B[5,5]	C[5,6a]	C[5,6a]	3:3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a]-3:B[5,5]-4:C[6a]-3:	C[5,6a]-3:B[5,5]-4:C[6a]-3:	B[5,5](C[5,6a]C[5,6a]C[6a])3(N[5]B[5,5]N)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5,5]C[5,6a]2N[5])(C[6a]C[6a]F)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5,5]C[5,6a]2N[5])(C[6a]C[6a]F)	B[5,5](C[5,6a]C[5,6a]C[6a])3(N[5]B[5,5]N){3|F<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5,5]C[5,6a]2N[5])(C[6a]C[6a]F){1|B<4>,1|N<2>,2|F<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5,5]C[5,6a]2N[5])(C[6a]C[6a]F){1|B<4>,1|N<2>,2|F<1>,5|C<3>}	97.9332	0.035	2	97.9332	0.001	2	97.9332	0.001	2	97.9332	0.001	2	98.8143	0.665	5	99.4245	1.068	38
786	727	727	5:SP3_SP2_SP2	B[5,5]	C[5,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:N[5,6]-3:	B[5,5]-4:C[5,6a]-3:C[6a]-3:	B[5,5]-4:C[5,6a]-3:C[6a]-3:	B[5,5](C[5,6a]C[5,6a]C[6a])3(N[5,6]C[5,6]C[6])	C[5,6a](B[5,5]C[5,6a]2N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](B[5,5]C[5,6a]2N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	B[5,5](C[5,6a]C[5,6a]C[6a])3(N[5,6]C[5,6]C[6]){4|H<1>,8|C<3>}	C[5,6a](B[5,5]C[5,6a]2N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[5,6a](B[5,5]C[5,6a]2N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	99.2373	0.000	1	99.2373	0.000	1	99.2373	0.000	1	99.2373	0.000	1	98.8143	0.665	5	99.4245	1.068	38
786	727	727	5:SP3_SP2_SP2	B[5,5]	C[5,6a]	C[5,6a]	3:3:3:4:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:N[5]-4:	C[5,6a]-3:B[5,5]-4:C[6a]-3:	C[5,6a]-3:B[5,5]-4:C[6a]-3:	B[5,5](C[5,6a]C[5,6a]C[6a])3(N[5]C[5]CC)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5,5]C[5,6a]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5,5]C[5,6a]2N[5])(C[6a]C[6a]H)	B[5,5](C[5,6a]C[5,6a]C[6a])3(N[5]C[5]CC){1|C<4>,4|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5,5]C[5,6a]2N[5])(C[6a]C[6a]H){2|H<1>,3|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5,5]C[5,6a]2N[5])(C[6a]C[6a]H){2|H<1>,3|C<4>,5|C<3>}	99.3632	0.000	1	99.3632	0.000	1	99.3632	0.000	1	99.4840	0.029	2	98.8143	0.665	5	99.4245	1.068	38
786	727	727	5:SP3_SP2_SP2	B[5,5]	C[5,6a]	C[5,6a]	3:3:3:4:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:P[5]-4:	C[5,6a]-3:B[5,5]-4:C[6a]-3:	C[5,6a]-3:B[5,5]-4:C[6a]-3:	B[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])2(P[5]C[5,6a]CC)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5,5]C[5,6a]2P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5,5]C[5,6a]2P[5])(C[6a]C[6a]H)	B[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])2(P[5]C[5,6a]CC){3|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5,5]C[5,6a]2P[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5,5]C[5,6a]2P[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,6|C<3>}	99.6048	0.000	1	99.6048	0.000	1	99.6048	0.000	1	99.4840	0.029	2	98.8143	0.665	5	99.4245	1.068	38
786	727	727	5:SP3_SP2_SP2	B[5,6]	C[5,6a]	C[5,6a]	3:3:3:2:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:N[5,6]-3:O[6]-2:	B[5,6]-4:C[5,6a]-3:C[6a]-3:	B[5,6]-4:C[5,6a]-3:C[6a]-3:	B[5,6](C[5,6a]C[5,6a]C[6a])2(N[5,6]C[5,6a]C[5,6])(O[6]C[6,6a])	C[5,6a](B[5,6]C[5,6a]N[5,6]O[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](B[5,6]C[5,6a]N[5,6]O[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	B[5,6](C[5,6a]C[5,6a]C[6a])2(N[5,6]C[5,6a]C[5,6])(O[6]C[6,6a]){1|N<3>,2|H<1>,8|C<3>}	C[5,6a](B[5,6]C[5,6a]N[5,6]O[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5,6a](B[5,6]C[5,6a]N[5,6]O[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	100.2580	0.000	1	100.1513	0.009	3	100.1513	0.009	3	100.1260	0.025	7	99.4177	1.024	13	99.4245	1.068	38
786	727	727	5:SP3_SP2_SP2	B[5,6]	C[5,6a]	C[5,6a]	3:3:3:2:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:N[5,6]-3:O[6]-2:	B[5,6]-4:C[5,6a]-3:C[6a]-3:	B[5,6]-4:C[5,6a]-3:C[6a]-3:	B[5,6](C[5,6a]C[5,6a]C[6a])2(N[5,6]C[5,6a]C[5,6])(O[6]C[6,6a])	C[5,6a](B[5,6]C[5,6a]N[5,6]O[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](B[5,6]C[5,6a]N[5,6]O[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	B[5,6](C[5,6a]C[5,6a]C[6a])2(N[5,6]C[5,6a]C[5,6])(O[6]C[6,6a]){1|O<2>,2|H<1>,8|C<3>}	C[5,6a](B[5,6]C[5,6a]N[5,6]O[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5,6a](B[5,6]C[5,6a]N[5,6]O[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	100.0960	0.000	1	100.1513	0.009	3	100.1513	0.009	3	100.1260	0.025	7	99.4177	1.024	13	99.4245	1.068	38
786	727	727	5:SP3_SP2_SP2	B[5,6]	C[5,6a]	C[5,6a]	3:3:3:2:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:N[5,6]-3:O[6]-2:	B[5,6]-4:C[5,6a]-3:C[6a]-3:	B[5,6]-4:C[5,6a]-3:C[6a]-3:	B[5,6](C[5,6a]C[5,6a]C[6a])2(N[5,6]C[5,6a]C[5,6])(O[6]C[6,6a])	C[5,6a](B[5,6]C[5,6a]N[5,6]O[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](B[5,6]C[5,6a]N[5,6]O[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	B[5,6](C[5,6a]C[5,6a]C[6a])2(N[5,6]C[5,6a]C[5,6])(O[6]C[6,6a]){1|S<2>,2|H<1>,8|C<3>}	C[5,6a](B[5,6]C[5,6a]N[5,6]O[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5,6a](B[5,6]C[5,6a]N[5,6]O[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	100.1000	0.000	1	100.1513	0.009	3	100.1513	0.009	3	100.1260	0.025	7	99.4177	1.024	13	99.4245	1.068	38
786	727	727	5:SP3_SP2_SP2	B[5,6]	C[5,6a]	C[5,6a]	3:3:3:2:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:N[6,6]-3:O[6]-2:	B[5,6]-4:C[5,6a]-3:C[6a]-3:	B[5,6]-4:C[5,6a]-3:C[6a]-3:	B[5,6](C[5,6a]C[5,6a]C[6a])2(N[6,6]C[6,6]C[6])(O[6]C[6,6a])	C[5,6a](B[5,6]C[5,6a]N[6,6]O[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](B[5,6]C[5,6a]N[6,6]O[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	B[5,6](C[5,6a]C[5,6a]C[6a])2(N[6,6]C[6,6]C[6])(O[6]C[6,6a]){3|H<1>,8|C<3>}	C[5,6a](B[5,6]C[5,6a]N[6,6]O[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5,6a](B[5,6]C[5,6a]N[6,6]O[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	100.1820	0.000	1	100.1820	0.000	1	100.1820	0.000	1	100.1260	0.025	7	99.4177	1.024	13	99.4245	1.068	38
786	727	727	5:SP3_SP2_SP2	B[5,6]	C[5,6a]	C[5,6a]	3:3:3:2:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:N[6]-3:O[6]-2:	B[5,6]-4:C[5,6a]-3:C[6a]-3:	B[5,6]-4:C[5,6a]-3:C[6a]-3:	B[5,6](C[5,6a]C[5,6a]C[6a])2(N[6]C[6a]C[6])(O[6]C[6,6a])	C[5,6a](B[5,6]C[5,6a]N[6]O[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](B[5,6]C[5,6a]N[6]O[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	B[5,6](C[5,6a]C[5,6a]C[6a])2(N[6]C[6a]C[6])(O[6]C[6,6a]){3|H<1>,8|C<3>}	C[5,6a](B[5,6]C[5,6a]N[6]O[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5,6a](B[5,6]C[5,6a]N[6]O[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	100.0819	0.244	3	100.0819	0.060	3	100.0819	0.060	3	100.1260	0.025	7	99.4177	1.024	13	99.4245	1.068	38
786	727	727	5:SP3_SP2_SP2	B[5,6]	C[5,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:N[5a,6]-3:N[5a,6]-3:	B[5,6]-4:C[5,6a]-3:C[6a]-3:	B[5,6]-4:C[5,6a]-3:C[6a]-3:	B[5,6](C[5,6a]C[5,6a]C[6a])2(N[5a,6]C[5a,6]C[5a])2	C[5,6a](B[5,6]C[5,6a]N[5a,6]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]F)	C[5,6a](B[5,6]C[5,6a]N[5a,6]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]F)	B[5,6](C[5,6a]C[5,6a]C[6a])2(N[5a,6]C[5a,6]C[5a])2{2|C<4>,2|F<1>,9|C<3>}	C[5,6a](B[5,6]C[5,6a]N[5a,6]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]F){2|F<1>,7|C<3>}	C[5,6a](B[5,6]C[5,6a]N[5a,6]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]F){2|F<1>,7|C<3>}	97.4077	0.485	2	97.4077	0.235	2	98.5085	1.082	5	98.5085	1.082	5	99.4177	1.024	13	99.4245	1.068	38
786	727	727	5:SP3_SP2_SP2	B[5,6]	C[5,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:N[5a,6]-3:N[5a,6]-3:	B[5,6]-4:C[5,6a]-3:C[6a]-3:	B[5,6]-4:C[5,6a]-3:C[6a]-3:	B[5,6](C[5,6a]C[5,6a]C[6a])2(N[5a,6]C[5a,6]C[5a])2	C[5,6a](B[5,6]C[5,6a]N[5a,6]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](B[5,6]C[5,6a]N[5a,6]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	B[5,6](C[5,6a]C[5,6a]C[6a])2(N[5a,6]C[5a,6]C[5a])2{2|C<4>,2|H<1>,9|C<3>}	C[5,6a](B[5,6]C[5,6a]N[5a,6]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[5,6a](B[5,6]C[5,6a]N[5a,6]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	99.2423	0.166	3	99.2423	0.027	3	98.5085	1.082	5	98.5085	1.082	5	99.4177	1.024	13	99.4245	1.068	38
786	727	727	5:SP3_SP2_SP2	B[5,6]	C[5,6a]	C[5,6a]	3:3:4:4:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6]-4:P[6]-4:	B[5,6]-4:C[5,6a]-3:C[6a]-3:	B[5,6]-4:C[5,6a]-3:C[6a]-3:	B[5,6](C[5,6a]C[5,6a]C[6a])2(C[6]C[6]HH)(P[6]C[6]CC)	C[5,6a](B[5,6]C[5,6a]C[6]P[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](B[5,6]C[5,6a]C[6]P[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	B[5,6](C[5,6a]C[5,6a]C[6a])2(C[6]C[6]HH)(P[6]C[6]CC){1|C<4>,4|H<1>,5|C<3>}	C[5,6a](B[5,6]C[5,6a]C[6]P[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){3|C<4>,4|C<3>,4|H<1>}	C[5,6a](B[5,6]C[5,6a]C[6]P[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){3|C<4>,4|C<3>,4|H<1>}	99.0054	0.000	1	99.0054	0.000	1	99.0054	0.000	1	99.0054	0.000	1	99.4177	1.024	13	99.4245	1.068	38
786	727	727	5:SP3_SP2_SP2	B[5]	C[5,6a]	C[5,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5]-3:Br-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:B[5]-4:C[6a]-3:	B[5](C[5,6a]C[5,6a]C[6a])2(C[5]N[5]2)(Br)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C[5]Br)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C[5]Br)(C[6a]C[6a]H)	B[5](C[5,6a]C[5,6a]C[6a])2(C[5]N[5]2)(Br){2|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C[5]Br)(C[6a]C[6a]H){2|H<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C[5]Br)(C[6a]C[6a]H){2|H<1>,2|N<3>,3|C<3>}	100.1370	0.000	1	100.1370	0.000	1	100.1370	0.000	1	99.7229	0.343	2	99.5814	1.170	20	99.4245	1.068	38
786	727	727	5:SP3_SP2_SP2	B[5]	C[5,6a]	C[5,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:B[5]-4:C[6a]-3:	B[5](C[5,6a]C[5,6a]C[6a])2(C[5]N[5]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C[5]H)(C[6a]C[6a]H)	B[5](C[5,6a]C[5,6a]C[6a])2(C[5]N[5]2)(H){2|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C[5]H)(C[6a]C[6a]H){2|H<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C[5]H)(C[6a]C[6a]H){2|H<1>,2|N<3>,3|C<3>}	99.3088	0.000	1	99.3088	0.000	1	99.3088	0.000	1	99.7229	0.343	2	99.5814	1.170	20	99.4245	1.068	38
786	727	727	5:SP3_SP2_SP2	B[5]	C[5,6a]	C[5,6a]	3:3:3:2:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:B[5]-4:C[6a]-3:	B[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OP)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C[6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C[6a]O)(C[6a]C[6a]H)	B[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OP){4|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C[6a]O)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C[6a]O)(C[6a]C[6a]H){2|H<1>,5|C<3>}	99.3628	0.461	2	99.3628	0.213	2	99.3628	0.213	2	100.4056	0.583	7	99.5814	1.170	20	99.4245	1.068	38
786	727	727	5:SP3_SP2_SP2	B[5]	C[5,6a]	C[5,6a]	3:3:3:2:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:N[6]-3:N-2:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:B[5]-4:C[6a]-3:	B[5](C[5,6a]C[5,6a]C[6a])2(N[6]C[6]2)(NN)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]N[6]N)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]N[6]N)(C[6a]C[6a]H)	B[5](C[5,6a]C[5,6a]C[6a])2(N[6]C[6]2)(NN){4|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]N[6]N)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]N[6]N)(C[6a]C[6a]H){2|H<1>,5|C<3>}	100.8228	0.245	5	100.8228	0.060	5	100.8228	0.060	5	100.4056	0.583	7	99.5814	1.170	20	99.4245	1.068	38
786	727	727	5:SP3_SP2_SP2	B[5]	C[5,6a]	C[5,6a]	3:3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:B[5]-4:C[6a]-3:	B[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C[6a]2)(C[6a]C[6a]H)	B[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2{1|N<4>,4|H<1>,9|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	97.4801	0.582	2	97.4801	0.338	2	97.4801	0.338	2	97.4801	0.338	2	99.5814	1.170	20	99.4245	1.068	38
786	727	727	5:SP3_SP2_SP2	B[5]	C[5,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:N[6]-3:	B[5]-4:C[5,6a]-3:C[6a]-3:	B[5]-4:C[5,6a]-3:C[6a]-3:	B[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(N[6]C[6]2)	C[5,6a](B[5]C[5,6a]C[6a]N[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](B[5]C[5,6a]C[6a]N[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	B[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(N[6]C[6]2){5|H<1>,9|C<3>}	C[5,6a](B[5]C[5,6a]C[6a]N[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[5,6a](B[5]C[5,6a]C[6a]N[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	99.1742	0.479	3	99.1742	0.230	3	99.1742	0.230	3	98.9203	0.236	5	99.5814	1.170	20	99.4245	1.068	38
786	727	727	5:SP3_SP2_SP2	B[5]	C[5,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O[5]-3:	B[5]-4:C[5,6a]-3:C[6a]-3:	B[5]-4:C[5,6a]-3:C[6a]-3:	B[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(O[5]C[5]2)	C[5,6a](B[5]C[5,6a]C[6a]O[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]F)	C[5,6a](B[5]C[5,6a]C[6a]O[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]F)	B[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(O[5]C[5]2){1|B<3>,2|C<4>,3|F<1>,4|H<1>,6|C<3>}	C[5,6a](B[5]C[5,6a]C[6a]O[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]F){2|C<4>,2|F<1>,5|C<3>}	C[5,6a](B[5]C[5,6a]C[6a]O[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]F){2|C<4>,2|F<1>,5|C<3>}	98.5525	0.000	1	98.5394	0.000	2	98.5394	0.000	2	98.9203	0.236	5	99.5814	1.170	20	99.4245	1.068	38
786	727	727	5:SP3_SP2_SP2	B[5]	C[5,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O[5]-3:	B[5]-4:C[5,6a]-3:C[6a]-3:	B[5]-4:C[5,6a]-3:C[6a]-3:	B[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(O[5]C[5]2)	C[5,6a](B[5]C[5,6a]C[6a]O[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]F)	C[5,6a](B[5]C[5,6a]C[6a]O[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]F)	B[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(O[5]C[5]2){1|B<4>,2|C<4>,3|F<1>,4|H<1>,6|C<3>}	C[5,6a](B[5]C[5,6a]C[6a]O[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]F){2|C<4>,2|F<1>,5|C<3>}	C[5,6a](B[5]C[5,6a]C[6a]O[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]F){2|C<4>,2|F<1>,5|C<3>}	98.5264	0.000	1	98.5394	0.000	2	98.5394	0.000	2	98.9203	0.236	5	99.5814	1.170	20	99.4245	1.068	38
786	727	727	5:SP3_SP2_SP2	B[5]	C[5,6a]	C[5,6a]	3:3:3:4:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:N[6]-3:C-4:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:B[5]-4:C[6a]-3:	B[5](C[5,6a]C[5,6a]C[6a])2(N[6]C[6]2)(CC[6]HH)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]N[6]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]N[6]C)(C[6a]C[6a]H)	B[5](C[5,6a]C[5,6a]C[6a])2(N[6]C[6]2)(CC[6]HH){1|C<4>,2|C<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]N[6]C)(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]N[6]C)(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	99.8850	0.000	1	99.8850	0.000	1	99.8850	0.000	1	99.8850	0.000	1	99.5814	1.170	20	99.4245	1.068	38
786	727	727	5:SP3_SP2_SP2	B[5]	C[5,6a]	C[5,6a]	3:3:4:1:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:Br-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:B[5]-4:C[6a]-3:	B[5](C[5,6a]C[5,6a]C[6a])2(CC[5]HH)(Br)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]BrC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]BrC)(C[6a]C[6a]H)	B[5](C[5,6a]C[5,6a]C[6a])2(CC[5]HH)(Br){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]BrC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]BrC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	100.2930	0.000	1	100.2930	0.000	1	100.2930	0.000	1	100.3205	0.002	2	99.5814	1.170	20	99.4245	1.068	38
786	727	727	5:SP3_SP2_SP2	B[5]	C[5,6a]	C[5,6a]	3:3:4:1:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:P-4:H-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:B[5]-4:C[6a]-3:	B[5](C[5,6a]C[5,6a]C[6a])2(PCCH)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]HP)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]HP)(C[6a]C[6a]H)	B[5](C[5,6a]C[5,6a]C[6a])2(PCCH)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]HP)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]HP)(C[6a]C[6a]H){2|H<1>,3|C<3>}	100.3480	0.000	1	100.3480	0.000	1	100.3480	0.000	1	100.3205	0.002	2	99.5814	1.170	20	99.4245	1.068	38
786	727	727	5:SP3_SP2_SP2	B[5]	C[5,6a]	C[5,6a]	3:3:4:2:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:O-2:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:B[5]-4:C[6a]-3:	B[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]2Fe)(ON[6])	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C[5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C[5]O)(C[6a]C[6a]H)	B[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]2Fe)(ON[6]){2|C<4>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C[5]O)(C[6a]C[6a]H){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C[5]O)(C[6a]C[6a]H){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	99.2547	0.000	1	99.2547	0.000	1	99.2547	0.000	1	99.2547	0.000	1	99.5814	1.170	20	99.4245	1.068	38
786	727	790	0:SP3_SP-NON_SP2	B[5]	C[5,6a]	Cl	3:2:1:1:	3:4:3:	4:	C[5,6a]-3:Cl[5]-2:Cl-1:Cl-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	B[5]-4:	B[5](C[5,6a]C[5,6a]C[6a])(Cl[5]B[5])(Cl)2	C[5,6a](C[5,6a]C[6a]B[5])(B[5]Cl[5]Cl2)(C[6a]C[6a]H)	Cl(B[5]C[5,6a]Cl[5]Cl)	B[5](C[5,6a]C[5,6a]C[6a])(Cl[5]B[5])(Cl)2{1|Cl<1>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(B[5]Cl[5]Cl2)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|O<2>,2|H<1>}	Cl(B[5]C[5,6a]Cl[5]Cl)	115.9650	0.211	2	115.9650	0.044	2	115.9650	0.044	2	115.9650	0.044	2	113.0683	14.066	26	113.0683	14.066	26
786	727	790	0:SP3_SP-NON_SP2	B[5]	C[5,6a]	Cl	3:2:2:1:	3:4:3:	4:	C[5,6a]-3:Cl[5]-2:O-2:Cl-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	B[5]-4:	B[5](C[5,6a]C[5,6a]C[6a])(Cl[5]B[5])(OC)(Cl)	C[5,6a](C[5,6a]C[6a]B[5])(B[5]Cl[5]ClO)(C[6a]C[6a]H)	Cl(B[5]C[5,6a]Cl[5]O)	B[5](C[5,6a]C[5,6a]C[6a])(Cl[5]B[5])(OC)(Cl){2|Cl<1>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(B[5]Cl[5]ClO)(C[6a]C[6a]H){2|Cl<1>,1|C<3>,2|H<1>}	Cl(B[5]C[5,6a]Cl[5]O)	114.7850	0.000	1	114.7850	0.000	1	114.7850	0.000	1	114.7850	0.000	1	113.0683	14.066	26	113.0683	14.066	26
786	727	790	0:SP3_SP-NON_SP2	B[5]	C[5,6a]	Cl	3:3:1:1:	3:4:3:	4:	C[5,6a]-3:N[5,6]-3:Cl-1:Cl-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	B[5]-4:	B[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(Cl)2	C[5,6a](C[5,6a]C[5,6]C[6a])(B[5]N[5,6]Cl2)(C[6a]C[6a]H)	Cl(B[5]C[5,6a]N[5,6]Cl)	B[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(Cl)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(B[5]N[5,6]Cl2)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	Cl(B[5]C[5,6a]N[5,6]Cl)	115.3600	3.379	2	115.3600	11.415	2	115.3600	11.415	2	114.6972	3.749	8	113.0683	14.066	26	113.0683	14.066	26
786	727	790	0:SP3_SP-NON_SP2	B[5]	C[5,6a]	Cl	3:3:1:1:	3:4:3:	4:	C[5,6a]-3:N[5]-3:Cl-1:Cl-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	B[5]-4:	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(Cl)2	C[5,6a](C[5,6a]C[6a]C[5])(B[5]N[5]Cl2)(C[6a]C[6a]H)	Cl(B[5]C[5,6a]N[5]Cl)	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(Cl)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(B[5]N[5]Cl2)(C[6a]C[6a]H){2|C<3>,3|H<1>}	Cl(B[5]C[5,6a]N[5]Cl)	114.6645	0.511	2	114.6645	0.261	2	114.6645	0.261	2	114.6972	3.749	8	113.0683	14.066	26	113.0683	14.066	26
786	727	790	0:SP3_SP-NON_SP2	B[5]	C[5,6a]	Cl	3:3:1:1:	3:4:3:	4:	C[5,6a]-3:O[5]-3:Cl-1:Cl-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	B[5]-4:	B[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5]C)(Cl)2	C[5,6a](C[5,6a]C[6a]B[5])(B[5]O[5]Cl2)(C[6a]C[6a]H)	Cl(B[5]C[5,6a]O[5]Cl)	B[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5]C)(Cl)2{2|Cl<1>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(B[5]O[5]Cl2)(C[6a]C[6a]H){2|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	Cl(B[5]C[5,6a]O[5]Cl)	114.3822	2.105	4	114.3822	4.430	4	114.3822	4.430	4	114.6972	3.749	8	113.0683	14.066	26	113.0683	14.066	26
786	727	790	0:SP3_SP-NON_SP2	B[5]	C[5,6a]	Cl	3:3:3:1:	3:4:3:	4:	C[5,6a]-3:C[6a]-3:N[5]-3:Cl-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	B[5]-4:	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(Cl)	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]N[5]Cl)(C[6a]C[6a]H)	Cl(B[5]C[5,6a]C[6a]N[5])	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(Cl){4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]N[5]Cl)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	Cl(B[5]C[5,6a]C[6a]N[5])	107.7370	0.000	1	107.7370	0.000	1	107.7370	0.000	1	108.1270	0.304	2	113.0683	14.066	26	113.0683	14.066	26
786	727	790	0:SP3_SP-NON_SP2	B[5]	C[5,6a]	Cl	3:3:3:1:	3:4:3:	4:	C[5,6a]-3:N[5]-3:C[6a]-3:Cl-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	B[5]-4:	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(Cl)	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]N[5]Cl)(C[6a]C[6a]H)	Cl(B[5]C[5,6a]C[6a]N[5])	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(Cl){4|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]N[5]Cl)(C[6a]C[6a]H){3|H<1>,4|C<3>}	Cl(B[5]C[5,6a]C[6a]N[5])	108.5170	0.000	1	108.5170	0.000	1	108.5170	0.000	1	108.1270	0.304	2	113.0683	14.066	26	113.0683	14.066	26
786	727	790	0:SP3_SP-NON_SP2	B[5]	C[5,6a]	Cl	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:Cl-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	B[5]-4:	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]HH)(Cl)	C[5,6a](C[5,6a]C[6a]P[5])(B[5]C[6a]C[5]Cl)(C[6a]C[6a]F)	Cl(B[5]C[5,6a]C[6a]C[5])	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]HH)(Cl){1|F<1>,2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(B[5]C[6a]C[5]Cl)(C[6a]C[6a]F){2|C<4>,2|F<1>,2|H<1>,3|C<3>}	Cl(B[5]C[5,6a]C[6a]C[5])	105.8530	0.000	1	105.7130	0.039	2	105.7130	0.039	2	105.7130	0.039	2	113.0683	14.066	26	113.0683	14.066	26
786	727	790	0:SP3_SP-NON_SP2	B[5]	C[5,6a]	Cl	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:Cl-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	B[5]-4:	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]HH)(Cl)	C[5,6a](C[5,6a]C[6a]P[5])(B[5]C[6a]C[5]Cl)(C[6a]C[6a]F)	Cl(B[5]C[5,6a]C[6a]C[5])	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]HH)(Cl){2|C<4>,3|F<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(B[5]C[6a]C[5]Cl)(C[6a]C[6a]F){2|C<4>,2|F<1>,2|H<1>,3|C<3>}	Cl(B[5]C[5,6a]C[6a]C[5])	105.5730	0.000	1	105.7130	0.039	2	105.7130	0.039	2	105.7130	0.039	2	113.0683	14.066	26	113.0683	14.066	26
786	727	790	0:SP3_SP-NON_SP2	B[5]	C[5,6a]	Cl	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:N[5]-4:Cl-1:Cl-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	B[5]-4:	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(Cl)2	C[5,6a](C[5,6a]C[6a]C[5])(B[5]N[5]Cl2)(C[6a]C[6a]H)	Cl(B[5]C[5,6a]N[5]Cl)	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(Cl)2{1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(B[5]N[5]Cl2)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	Cl(B[5]C[5,6a]N[5]Cl)	113.2756	4.121	5	113.5394	14.730	7	113.5394	14.730	7	113.4367	12.553	11	113.0683	14.066	26	113.0683	14.066	26
786	727	790	0:SP3_SP-NON_SP2	B[5]	C[5,6a]	Cl	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:N[5]-4:Cl-1:Cl-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	B[5]-4:	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(Cl)2	C[5,6a](C[5,6a]C[6a]C[5])(B[5]N[5]Cl2)(C[6a]C[6a]H)	Cl(B[5]C[5,6a]N[5]Cl)	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(Cl)2{2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(B[5]N[5]Cl2)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	Cl(B[5]C[5,6a]N[5]Cl)	114.1990	4.384	2	113.5394	14.730	7	113.5394	14.730	7	113.4367	12.553	11	113.0683	14.066	26	113.0683	14.066	26
786	727	790	0:SP3_SP-NON_SP2	B[5]	C[5,6a]	Cl	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:P[5]-4:Cl-1:Cl-1:	C[5,6a,6a]-3:B[5]-4:C[6a]-3:	B[5]-4:	B[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]C[6a]2)(Cl)2	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(B[5]P[5]Cl2)(C[6a]C[6a]H)	Cl(B[5]C[5,6a]P[5]Cl)	B[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]C[6a]2)(Cl)2{1|H<1>,7|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(B[5]P[5]Cl2)(C[6a]C[6a]H){1|H<1>,5|C<3>}	Cl(B[5]C[5,6a]P[5]Cl)	113.4995	4.761	2	113.4995	22.667	2	113.4995	22.667	2	113.4367	12.553	11	113.0683	14.066	26	113.0683	14.066	26
786	727	790	0:SP3_SP-NON_SP2	B[5]	C[5,6a]	Cl	3:4:1:1:	3:4:3:	4:	C[5,6a]-3:P[5]-4:Cl-1:Cl-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	B[5]-4:	B[5](C[5,6a]C[5,6a]C[6a])(P[5]C[5]CC)(Cl)2	C[5,6a](C[5,6a]C[6a]C[5])(B[5]P[5]Cl2)(C[6a]C[6a]H)	Cl(B[5]C[5,6a]P[5]Cl)	B[5](C[5,6a]C[5,6a]C[6a])(P[5]C[5]CC)(Cl)2{2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(B[5]P[5]Cl2)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	Cl(B[5]C[5,6a]P[5]Cl)	113.0145	3.747	2	113.0145	14.040	2	113.0145	14.040	2	113.4367	12.553	11	113.0683	14.066	26	113.0683	14.066	26
786	727	813	0:SP3_SP2_SP2	B[5,6]	C[5,6a]	N[5a,6]	3:3:2:2:	4:3:3:	4:3:3:	C[5,6a]-3:N[5a,6]-3:O[6]-2:O[5]-2:	B[5,6]-4:C[5,6a]-3:C[6a]-3:	B[5,6]-4:C[5a,6]-3:C[5a,6]-3:	B[5,6](C[5,6a]C[5,6a]C[6a])(N[5a,6]C[5a,6]2)(O[6]C[6,6a])(O[5]B[5])	C[5,6a](B[5,6]N[5a,6]O[5]O[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	N[5a,6](B[5,6]C[5,6a]O[5]O[6])(C[5a,6]C[6,6a]C[5a])(C[5a,6]N[5a,6]C[6])	B[5,6](C[5,6a]C[5,6a]C[6a])(N[5a,6]C[5a,6]2)(O[6]C[6,6a])(O[5]B[5]){1|H<1>,1|N<3>,1|O<2>,6|C<3>}	C[5,6a](B[5,6]N[5a,6]O[5]O[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	N[5a,6](B[5,6]C[5,6a]O[5]O[6])(C[5a,6]C[6,6a]C[5a])(C[5a,6]N[5a,6]C[6]){1|B<3>,2|H<1>,6|C<3>}	115.1290	4.097	2	115.1290	16.785	2	115.1290	16.785	2	115.1290	16.785	2	113.2258	2.414	21	113.2258	2.414	21
786	727	813	0:SP3_SP2_SP2	B[5,6]	C[5,6a]	N[5a,6]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:N[5a,6]-3:N[5a,6]-3:	B[5,6]-4:C[5,6a]-3:C[6a]-3:	B[5,6]-4:C[5a,6]-3:C[5a]-3:	B[5,6](C[5,6a]C[5,6a]C[6a])2(N[5a,6]C[5a,6]C[5a])2	C[5,6a](B[5,6]C[5,6a]N[5a,6]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]F)	N[5a,6](B[5,6]C[5,6a]2N[5a,6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	B[5,6](C[5,6a]C[5,6a]C[6a])2(N[5a,6]C[5a,6]C[5a])2{2|C<4>,2|F<1>,9|C<3>}	C[5,6a](B[5,6]C[5,6a]N[5a,6]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]F){2|F<1>,7|C<3>}	N[5a,6](B[5,6]C[5,6a]2N[5a,6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|H<1>,2|C<4>,6|C<3>}	113.0303	0.899	7	113.0303	0.808	7	113.0254	1.305	19	113.0254	1.305	19	113.2258	2.414	21	113.2258	2.414	21
786	727	813	0:SP3_SP2_SP2	B[5,6]	C[5,6a]	N[5a,6]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:N[5a,6]-3:N[5a,6]-3:	B[5,6]-4:C[5,6a]-3:C[6a]-3:	B[5,6]-4:C[5a,6]-3:C[5a]-3:	B[5,6](C[5,6a]C[5,6a]C[6a])2(N[5a,6]C[5a,6]C[5a])2	C[5,6a](B[5,6]C[5,6a]N[5a,6]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	N[5a,6](B[5,6]C[5,6a]2N[5a,6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	B[5,6](C[5,6a]C[5,6a]C[6a])2(N[5a,6]C[5a,6]C[5a])2{2|C<4>,2|H<1>,9|C<3>}	C[5,6a](B[5,6]C[5,6a]N[5a,6]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	N[5a,6](B[5,6]C[5,6a]2N[5a,6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,7|C<3>}	112.9810	1.771	4	113.0226	1.695	12	113.0254	1.305	19	113.0254	1.305	19	113.2258	2.414	21	113.2258	2.414	21
786	727	813	0:SP3_SP2_SP2	B[5,6]	C[5,6a]	N[5a,6]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:N[5a,6]-3:N[5a,6]-3:	B[5,6]-4:C[5,6a]-3:C[6a]-3:	B[5,6]-4:C[5a,6]-3:C[5a]-3:	B[5,6](C[5,6a]C[5,6a]C[6a])2(N[5a,6]C[5a,6]C[5a])2	C[5,6a](B[5,6]C[5,6a]N[5a,6]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	N[5a,6](B[5,6]C[5,6a]2N[5a,6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	B[5,6](C[5,6a]C[5,6a]C[6a])2(N[5a,6]C[5a,6]C[5a])2{2|C<4>,2|H<1>,9|C<3>}	C[5,6a](B[5,6]C[5,6a]N[5a,6]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	N[5a,6](B[5,6]C[5,6a]2N[5a,6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|C<4>,2|H<1>,6|C<3>}	113.0434	1.148	8	113.0226	1.695	12	113.0254	1.305	19	113.0254	1.305	19	113.2258	2.414	21	113.2258	2.414	21
786	727	818	0:SP3_SP2_SP2	B[5]	C[5,6a]	C[5]	3:3:3:1:	3:4:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-3:Br-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	B[5]-4:N[5]-3:N[5]-3:	B[5](C[5,6a]C[5,6a]C[6a])2(C[5]N[5]2)(Br)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C[5]Br)(C[6a]C[6a]H)	C[5](B[5]C[5,6a]2Br)(N[5]C[6a]C[5])2	B[5](C[5,6a]C[5,6a]C[6a])2(C[5]N[5]2)(Br){2|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C[5]Br)(C[6a]C[6a]H){2|H<1>,2|N<3>,3|C<3>}	C[5](B[5]C[5,6a]2Br)(N[5]C[6a]C[5])2{2|H<1>,8|C<3>}	117.6800	2.029	2	117.6800	4.118	2	117.6800	4.118	2	116.7565	5.263	4	116.7565	5.263	4	113.9553	22.128	6
786	727	818	0:SP3_SP2_SP2	B[5]	C[5,6a]	C[5]	3:3:3:1:	3:4:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	B[5]-4:N[5]-3:N[5]-3:	B[5](C[5,6a]C[5,6a]C[6a])2(C[5]N[5]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C[5]H)(C[6a]C[6a]H)	C[5](B[5]C[5,6a]2H)(N[5]C[6a]C[5])2	B[5](C[5,6a]C[5,6a]C[6a])2(C[5]N[5]2)(H){2|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C[5]H)(C[6a]C[6a]H){2|H<1>,2|N<3>,3|C<3>}	C[5](B[5]C[5,6a]2H)(N[5]C[6a]C[5])2{2|H<1>,8|C<3>}	115.8330	2.874	2	115.8330	8.258	2	115.8330	8.258	2	116.7565	5.263	4	116.7565	5.263	4	113.9553	22.128	6
786	727	818	0:SP3_SP2_SP2	B[5]	C[5a]	C[5]	3:3:3:3:	4:3:2:	4:3:3:	C[5a]-3:C[5]-3:C[5]-3:N[6]-3:	B[5]-4:C[5a]-3:S[5a]-2:	B[5]-4:C[5]-3:C[6a]-3:	B[5](C[5a]C[5a]S[5a])(C[5]C[6a]C[5])2(N[6]C[6]2)	C[5a](B[5]C[5]2N[6])(C[5a]C[5a]H)(S[5a]C[5a])	C[5](B[5]C[5a]C[5]N[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)	B[5](C[5a]C[5a]S[5a])(C[5]C[6a]C[5])2(N[6]C[6]2){10|C<3>,3|H<1>}	C[5a](B[5]C[5]2N[6])(C[5a]C[5a]H)(S[5a]C[5a]){1|H<1>,7|C<3>}	C[5](B[5]C[5a]C[5]N[6])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|S<2>,2|H<1>,9|C<3>}	108.3530	0.833	2	108.3530	0.694	2	108.3530	0.694	2	108.3530	0.694	2	108.3530	0.694	2	113.9553	22.128	6
786	727	818	5:SP3_SP2_SP2	B[5]	C[5,6a]	C[5,5]	3:3:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[5,5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:B[5]-4:C[6a]-3:	B[5]-4:N[5,5]-3:N[5]-3:	B[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5])(C[6a]C[6a]2)2	C[5,6a](C[5,6a]N[5,5]C[6a])(B[5]C[5,5]C[6a]2)(C[6a]C[6a]H)	C[5,5](B[5]C[5,6a]C[6a]2)(N[5,5]C[5,6a]2)(N[5]C[5,6a]C)	B[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5])(C[6a]C[6a]2)2{1|H<1>,5|C<4>,8|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(B[5]C[5,5]C[6a]2)(C[6a]C[6a]H){1|N<3>,2|H<1>,6|C<3>}	C[5,5](B[5]C[5,6a]C[6a]2)(N[5,5]C[5,6a]2)(N[5]C[5,6a]C){8|C<3>}	94.2408	0.000	1	94.2408	0.000	1	94.2816	0.003	2	94.2816	0.003	2	94.2816	0.003	2	96.8810	6.045	5
786	727	818	5:SP3_SP2_SP2	B[5]	C[5,6a]	C[5,5]	3:3:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[5,5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:B[5]-4:C[6a]-3:	B[5]-4:N[5,5]-3:N[5]-3:	B[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5])(C[6a]C[6a]2)2	C[5,6a](C[5,6a]N[5,5]C[6a])(B[5]C[5,5]C[6a]2)(C[6a]C[6a]H)	C[5,5](B[5]C[5,6a]C[6a]2)(N[5,5]C[5,6a]2)(N[5]C[5,6a]H)	B[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5])(C[6a]C[6a]2)2{2|H<1>,4|C<4>,8|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(B[5]C[5,5]C[6a]2)(C[6a]C[6a]H){1|N<3>,2|H<1>,6|C<3>}	C[5,5](B[5]C[5,6a]C[6a]2)(N[5,5]C[5,6a]2)(N[5]C[5,6a]H){8|C<3>}	94.3224	0.000	1	94.3224	0.000	1	94.2816	0.003	2	94.2816	0.003	2	94.2816	0.003	2	96.8810	6.045	5
786	727	818	5:SP3_SP2_SP2	B[5]	C[5,6a]	C[5,6]	3:3:3:4:	3:4:3:	3:4:2:	C[5,6a]-3:C[5,6]-3:N[6]-3:C-4:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6]-3:B[5]-4:C[6]-2:	B[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(N[6]C[6]2)(CC[6]HH)	C[5,6a](C[5,6a]C[5,6]C[6a])(B[5]C[5,6]N[6]C)(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[6])(B[5]C[5,6a]N[6]C)(C[6]C[6])	B[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(N[6]C[6]2)(CC[6]HH){1|C<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(B[5]C[5,6]N[6]C)(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6])(B[5]C[5,6a]N[6]C)(C[6]C[6]){2|H<1>,5|C<3>}	99.5730	0.000	1	99.5730	0.000	1	99.5730	0.000	1	99.5730	0.000	1	99.5730	0.000	1	96.8810	6.045	5
786	727	818	5:SP3_SP2_SP2	B[5]	C[5,6a]	C[5]	3:3:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:B[5]-4:C[6a]-3:	B[5]-4:C[5]-3:C[6a]-3:	B[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)2	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2C[5])(C[6a]C[6a]H)	C[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	B[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)2{1|H<1>,4|F<1>,9|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2C[5])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){10|C<3>,2|F<1>}	97.7642	0.000	1	97.7642	0.000	1	98.1345	0.274	2	98.1345	0.274	2	98.1345	0.274	2	96.8810	6.045	5
786	727	818	5:SP3_SP2_SP2	B[5]	C[5,6a]	C[5]	3:3:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:B[5]-4:C[6a]-3:	B[5]-4:C[5]-3:C[6a]-3:	B[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)2	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2C[5])(C[6a]C[6a]H)	C[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]H)(C[6a]C[6a]2)	B[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)2{2|H<1>,4|F<1>,8|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2C[5])(C[6a]C[6a]H){3|H<1>,6|C<3>}	C[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]H)(C[6a]C[6a]2){2|F<1>,8|C<3>}	98.5047	0.000	1	98.5047	0.000	1	98.1345	0.274	2	98.1345	0.274	2	98.1345	0.274	2	96.8810	6.045	5
786	727	830	0:SP3_SP-NON_SP2	B[5]	C[5,5a]	F	3:2:1:1:	3:3:4:	4:	C[5,5a]-3:O[5]-2:F-1:F-1:	N[5,5a]-3:C[5a]-3:B[5]-4:	B[5]-4:	B[5](C[5,5a]N[5,5a]C[5a])(O[5]C[5])(F)2	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(B[5]O[5]FF)	F(B[5]C[5,5a]O[5]F)	B[5](C[5,5a]N[5,5a]C[5a])(O[5]C[5])(F)2{1|C<4>,1|O<1>,2|C<3>}	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(B[5]O[5]FF){1|O<1>,2|C<3>}	F(B[5]C[5,5a]O[5]F)	116.7870	0.762	4	116.7870	0.581	4	116.7870	0.581	4	116.7870	0.581	4	116.7870	0.581	4	114.6884	13.736	8
786	727	830	0:SP3_SP-NON_SP2	B[5]	C[5,6a]	F	3:3:2:1:	3:4:3:	4:	C[5,6a]-3:C[6a]-3:O[5]-2:F-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	B[5]-4:	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]P[5])(F)	C[5,6a](C[5,6a]C[6a]P[5])(B[5]C[6a]O[5]F)(C[6a]C[6a]F)	F(B[5]C[5,6a]C[6a]O[5])	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]P[5])(F){3|F<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(B[5]C[6a]O[5]F)(C[6a]C[6a]F){2|F<1>,5|C<3>}	F(B[5]C[5,6a]C[6a]O[5])	109.6370	0.000	1	109.6370	0.000	1	109.6370	0.000	1	109.6370	0.000	1	112.5897	19.725	4	114.6884	13.736	8
786	727	830	0:SP3_SP-NON_SP2	B[5]	C[5,6a]	F	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:F-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	B[5]-4:	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]HH)(F)	C[5,6a](C[5,6a]C[6a]P[5])(B[5]C[6a]C[5]F)(C[6a]C[6a]F)	F(B[5]C[5,6a]C[6a]C[5])	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]HH)(F){2|C<4>,3|F<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(B[5]C[6a]C[5]F)(C[6a]C[6a]F){2|C<4>,2|F<1>,2|H<1>,3|C<3>}	F(B[5]C[5,6a]C[6a]C[5])	107.9440	0.000	1	107.9440	0.000	1	107.9440	0.000	1	107.9440	0.000	1	112.5897	19.725	4	114.6884	13.736	8
786	727	830	0:SP3_SP-NON_SP2	B[5]	C[5,6a]	F	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:N[5]-4:F-1:F-1:	C[5,6a,6a]-3:C[6a]-3:B[5]-4:	B[5]-4:	B[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]CC)(F)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(B[5]N[5]FF)	F(B[5]C[5,6a]N[5]F)	B[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]CC)(F)2{1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(B[5]N[5]FF){1|H<1>,2|C<4>,3|C<3>}	F(B[5]C[5,6a]N[5]F)	116.3890	0.068	2	116.3890	0.005	2	116.3890	0.005	2	116.3890	0.005	2	112.5897	19.725	4	114.6884	13.736	8
786	727	849	0:SP3_SP2_SP3	B[5,6]	C[5,6a]	P[6]	3:3:4:4:	4:3:3:	4:4:4:4:	C[5,6a]-3:C[5,6a]-3:C[6]-4:P[6]-4:	B[5,6]-4:C[5,6a]-3:C[6a]-3:	B[5,6]-4:C[6]-4:C-4:C-4:	B[5,6](C[5,6a]C[5,6a]C[6a])2(C[6]C[6]HH)(P[6]C[6]CC)	C[5,6a](B[5,6]C[5,6a]C[6]P[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	P[6](B[5,6]C[5,6a]2C[6])(C[6]C[6]HH)(CC3)2	B[5,6](C[5,6a]C[5,6a]C[6a])2(C[6]C[6]HH)(P[6]C[6]CC){1|C<4>,4|H<1>,5|C<3>}	C[5,6a](B[5,6]C[5,6a]C[6]P[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){3|C<4>,4|C<3>,4|H<1>}	P[6](B[5,6]C[5,6a]2C[6])(C[6]C[6]HH)(CC3)2{1|C<4>,2|H<1>,5|C<3>}	112.0570	1.499	2	112.0570	2.247	2	112.0570	2.247	2	112.0570	2.247	2	112.0570	2.247	2	112.0570	2.247	2
786	727	856	0:SP3_SP2_SP2	B[5,6,6]	C[5,6a]	N[6,6]	3:3:3:2:	4:3:3:	4:3:4:	C[5,6a]-3:N[5,6]-3:N[6,6]-3:O[6]-2:	B[5,6,6]-4:C[5,6a]-3:C[6a]-3:	B[5,6,6]-4:C[6]-3:C[6]-4:	B[5,6,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5])(N[6,6]C[6]2)(O[6]C[6])	C[5,6a](B[5,6,6]N[5,6]N[6,6]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[6,6](B[5,6,6]C[5,6a]N[5,6]O[6])(C[6]C[6,6a]C[6a])(C[6]C[6]HH)	B[5,6,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5])(N[6,6]C[6]2)(O[6]C[6]){1|C<4>,5|C<3>,7|H<1>}	C[5,6a](B[5,6,6]N[5,6]N[6,6]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	N[6,6](B[5,6,6]C[5,6a]N[5,6]O[6])(C[6]C[6,6a]C[6a])(C[6]C[6]HH){2|C<4>,2|H<1>,6|C<3>}	119.5780	0.000	1	119.5780	0.000	1	119.5780	0.000	1	119.5780	0.000	1	119.5780	0.000	1	111.4136	11.901	29
786	727	856	0:SP3_SP2_SP2	B[5,6]	C[5,6a]	N[6,6]	3:3:3:2:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:N[6,6]-3:O[6]-2:	B[5,6]-4:C[5,6a]-3:C[6a]-3:	B[5,6]-4:C[6,6]-3:C[6]-3:	B[5,6](C[5,6a]C[5,6a]C[6a])2(N[6,6]C[6,6]C[6])(O[6]C[6,6a])	C[5,6a](B[5,6]C[5,6a]N[6,6]O[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	N[6,6](B[5,6]C[5,6a]2O[6])(C[6,6]C[6,6a]C[6])(C[6]C[6]H)	B[5,6](C[5,6a]C[5,6a]C[6a])2(N[6,6]C[6,6]C[6])(O[6]C[6,6a]){3|H<1>,8|C<3>}	C[5,6a](B[5,6]C[5,6a]N[6,6]O[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	N[6,6](B[5,6]C[5,6a]2O[6])(C[6,6]C[6,6a]C[6])(C[6]C[6]H){2|H<1>,7|C<3>}	110.7640	3.448	2	110.7640	11.888	2	110.7640	11.888	2	110.7640	11.888	2	110.7640	11.888	2	111.4136	11.901	29
786	727	856	0:SP3_SP2_SP2	B[5,6]	C[5,6a]	N[6]	3:3:3:2:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:N[6]-3:O[6]-2:	B[5,6]-4:C[5,6a]-3:C[6a]-3:	B[5,6]-4:C[6]-3:C[6a]-3:	B[5,6](C[5,6a]C[5,6a]C[6a])2(N[6]C[6a]C[6])(O[6]C[6,6a])	C[5,6a](B[5,6]C[5,6a]N[6]O[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	N[6](B[5,6]C[5,6a]2O[6])(C[6]C[6,6a]H)(C[6a]C[6a]2)	B[5,6](C[5,6a]C[5,6a]C[6a])2(N[6]C[6a]C[6])(O[6]C[6,6a]){3|H<1>,8|C<3>}	C[5,6a](B[5,6]C[5,6a]N[6]O[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	N[6](B[5,6]C[5,6a]2O[6])(C[6]C[6,6a]H)(C[6a]C[6a]2){2|H<1>,8|C<3>}	113.7570	2.202	6	113.7570	4.851	6	113.7570	4.851	6	113.7570	4.851	6	113.7570	4.851	6	111.4136	11.901	29
786	727	856	0:SP3_SP2_SP2	B[5]	C[5,6a]	N[6]	3:3:3:2:	3:4:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:N[6]-3:N-2:	C[5,6a]-3:B[5]-4:C[6a]-3:	B[5]-4:C[6]-3:C[6]-3:	B[5](C[5,6a]C[5,6a]C[6a])2(N[6]C[6]2)(NN)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]N[6]N)(C[6a]C[6a]H)	N[6](B[5]C[5,6a]2N)(C[6]C[6]H)2	B[5](C[5,6a]C[5,6a]C[6a])2(N[6]C[6]2)(NN){4|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]N[6]N)(C[6a]C[6a]H){2|H<1>,5|C<3>}	N[6](B[5]C[5,6a]2N)(C[6]C[6]H)2{2|H<1>,5|C<3>}	111.3907	2.727	10	111.3907	7.436	10	111.3907	7.436	10	111.3907	7.436	10	110.3627	9.708	19	111.4136	11.901	29
786	727	856	0:SP3_SP2_SP2	B[5]	C[5,6a]	N[6]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:N[6]-3:	B[5]-4:C[5,6a]-3:C[6a]-3:	B[5]-4:C[6]-3:C[6]-3:	B[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(N[6]C[6]2)	C[5,6a](B[5]C[5,6a]C[6a]N[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	N[6](B[5]C[5,6a]2C[6a])(C[6]C[6]H)2	B[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(N[6]C[6]2){5|H<1>,9|C<3>}	C[5,6a](B[5]C[5,6a]C[6a]N[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	N[6](B[5]C[5,6a]2C[6a])(C[6]C[6]H)2{2|H<1>,7|C<3>}	107.7273	2.820	6	107.7273	7.952	6	107.7273	7.952	6	107.7273	7.952	6	110.3627	9.708	19	111.4136	11.901	29
786	727	856	0:SP3_SP2_SP2	B[5]	C[5,6a]	N[6]	3:3:3:4:	3:4:3:	4:3:2:	C[5,6a]-3:C[5,6a]-3:N[6]-3:C-4:	C[5,6a]-3:B[5]-4:C[6a]-3:	B[5]-4:C[6]-3:C[6]-2:	B[5](C[5,6a]C[5,6a]C[6a])2(N[6]C[6]2)(CC[6]HH)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]N[6]C)(C[6a]C[6a]H)	N[6](B[5]C[5,6a]2C)(C[6]C[6]C)(C[6]C[6])	B[5](C[5,6a]C[5,6a]C[6a])2(N[6]C[6]2)(CC[6]HH){1|C<4>,2|C<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]N[6]C)(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	N[6](B[5]C[5,6a]2C)(C[6]C[6]C)(C[6]C[6]){1|C<2>,4|C<3>}	112.2670	2.366	2	112.2670	5.598	2	112.2670	5.598	2	112.2670	5.598	2	110.3627	9.708	19	111.4136	11.901	29
786	727	856	0:SP3_SP2_SP2	B[5]	C[5,6a]	N[6]	3:3:3:4:	3:4:3:	4:3:3:	C[5,6a]-3:C[5,6]-3:N[6]-3:C-4:	C[5,6a]-3:B[5]-4:C[6a]-3:	B[5]-4:C[6]-3:C[6]-3:	B[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(N[6]C[6]2)(CC[6]HH)	C[5,6a](C[5,6a]C[5,6]C[6a])(B[5]C[5,6]N[6]C)(C[6a]C[6a]H)	N[6](B[5]C[5,6a]C[5,6]C)(C[6]C[6]C)(C[6]C[6]H)	B[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(N[6]C[6]2)(CC[6]HH){1|C<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(B[5]C[5,6]N[6]C)(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	N[6](B[5]C[5,6a]C[5,6]C)(C[6]C[6]C)(C[6]C[6]H){1|C<2>,2|H<1>,4|C<3>}	112.0860	0.000	1	112.0860	0.000	1	112.0860	0.000	1	112.0860	0.000	1	110.3627	9.708	19	111.4136	11.901	29
786	727	856	0:SP3_SP2_SP2	B[5]	C[5a]	N[6]	3:3:3:3:	4:3:2:	4:3:3:	C[5a]-3:C[5]-3:C[5]-3:N[6]-3:	B[5]-4:C[5a]-3:S[5a]-2:	B[5]-4:C[6]-3:C[6]-3:	B[5](C[5a]C[5a]S[5a])(C[5]C[6a]C[5])2(N[6]C[6]2)	C[5a](B[5]C[5]2N[6])(C[5a]C[5a]H)(S[5a]C[5a])	N[6](B[5]C[5a]C[5]2)(C[6]C[6]H)2	B[5](C[5a]C[5a]S[5a])(C[5]C[6a]C[5])2(N[6]C[6]2){10|C<3>,3|H<1>}	C[5a](B[5]C[5]2N[6])(C[5a]C[5a]H)(S[5a]C[5a]){1|H<1>,7|C<3>}	N[6](B[5]C[5a]C[5]2)(C[6]C[6]H)2{1|S<2>,2|H<1>,6|C<3>}	110.4550	0.000	1	110.4550	0.000	1	110.4550	0.000	1	110.4550	0.000	1	110.4550	0.000	1	111.4136	11.901	29
786	727	871	0:SP3_SP2_SP3	B[5]	C[5,6a]	O	3:2:3:2:	3:3:4:	4:1:1:	C[5,6a]-3:O[5]-2:O-3:O-2:	C[5,6a]-3:C[6a]-3:B[5]-4:	B[5]-4:H-1:H-1:	B[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(OHH)(OH)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]F)(B[5]O[5]OO)	O(B[5]C[5,6a]O[5]O)(H)2	B[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(OHH)(OH){1|F<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]F)(B[5]O[5]OO){1|C<3>,1|O<2>,2|F<1>}	O(B[5]C[5,6a]O[5]O)(H)2	109.1560	0.000	1	109.1560	0.000	1	109.1560	0.000	1	109.1560	0.000	1	109.1560	0.000	1	109.1560	0.000	1
786	727	892	0:SP3_SP2_SP3	B[5]	C[5,6a]	N	3:4:3:4:	3:4:3:	4:1:1:1:	C[5,6a]-3:P[5]-4:C[6a]-3:N-4:	C[5,6a,6a]-3:B[5]-4:C[6a]-3:	B[5]-4:H-1:H-1:H-1:	B[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]C[6a]2)(C[6a]C[6a]2)(NH3)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(B[5]C[6a]P[5]N)(C[6a]C[6a]H)	N(B[5]C[5,6a]C[6a]P[5])(H)3	B[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]C[6a]2)(C[6a]C[6a]2)(NH3){1|H<1>,2|C<4>,9|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(B[5]C[6a]P[5]N)(C[6a]C[6a]H){1|H<1>,7|C<3>}	N(B[5]C[5,6a]C[6a]P[5])(H)3	103.1990	0.000	1	103.1990	0.000	1	103.1990	0.000	1	103.1990	0.000	1	103.1990	0.000	1	103.1990	0.000	1
786	727	893	0:SP3_SP2_SP2	B[5]	C[5,6a]	O	3:2:2:1:	3:4:3:	4:3:	C[5,6a]-3:Cl[5]-2:O-2:Cl-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	B[5]-4:C-3:	B[5](C[5,6a]C[5,6a]C[6a])(Cl[5]B[5])(OC)(Cl)	C[5,6a](C[5,6a]C[6a]B[5])(B[5]Cl[5]ClO)(C[6a]C[6a]H)	O(B[5]C[5,6a]Cl[5]Cl)(COP)	B[5](C[5,6a]C[5,6a]C[6a])(Cl[5]B[5])(OC)(Cl){2|Cl<1>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(B[5]Cl[5]ClO)(C[6a]C[6a]H){2|Cl<1>,1|C<3>,2|H<1>}	O(B[5]C[5,6a]Cl[5]Cl)(COP)	112.4050	0.000	1	112.4050	0.000	1	112.4050	0.000	1	112.4050	0.000	1	114.1959	6.902	12	114.1959	6.902	12
786	727	893	0:SP3_SP2_SP2	B[5]	C[5,6a]	O	3:3:2:2:	3:3:4:	4:3:	C[5,6a]-3:N[5]-3:O-2:O-2:	C[5,6a]-3:C[6a]-3:B[5]-4:	B[5]-4:C[6a]-3:	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(OC[6a])2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(B[5]N[5]OO)	O(B[5]C[5,6a]N[5]O)(C[6a]C[6a]2)	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(OC[6a])2{2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(B[5]N[5]OO){1|C<3>,1|C<4>,3|H<1>}	O(B[5]C[5,6a]N[5]O)(C[6a]C[6a]2)	114.6120	4.302	4	114.6120	18.507	4	114.6133	12.751	6	114.6133	12.751	6	114.1959	6.902	12	114.1959	6.902	12
786	727	893	0:SP3_SP2_SP2	B[5]	C[5,6a]	O	3:3:2:2:	3:3:4:	4:3:	C[5,6a]-3:N[5]-3:O-2:O-2:	C[5,6a]-3:C[6a]-3:B[5]-4:	B[5]-4:C[6a]-3:	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N)(OC[6a])2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(B[5]N[5]OO)	O(B[5]C[5,6a]N[5]O)(C[6a]C[6a]2)	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N)(OC[6a])2{1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(B[5]N[5]OO){1|N<3>,2|C<3>,2|H<1>}	O(B[5]C[5,6a]N[5]O)(C[6a]C[6a]2)	114.6160	2.869	2	114.6160	8.234	2	114.6133	12.751	6	114.6133	12.751	6	114.1959	6.902	12	114.1959	6.902	12
786	727	893	0:SP3_SP2_SP2	B[5]	C[5,6a]	O	3:3:4:2:	3:4:3:	4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:O-2:	C[5,6a]-3:B[5]-4:C[6a]-3:	B[5]-4:C-3:	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]HH)(OC)	C[5,6a](C[5,6a]C[6a]P[5])(B[5]C[6a]C[5]O)(C[6a]C[6a]F)	O(B[5]C[5,6a]C[6a]C[5])(CCO)	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]HH)(OC){2|C<4>,3|F<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(B[5]C[6a]C[5]O)(C[6a]C[6a]F){2|C<4>,2|F<1>,2|H<1>,3|C<3>}	O(B[5]C[5,6a]C[6a]C[5])(CCO)	111.8880	0.000	1	111.8880	0.000	1	111.8880	0.000	1	111.8880	0.000	1	114.1959	6.902	12	114.1959	6.902	12
786	727	893	0:SP3_SP2_SP2	B[5]	C[5,6a]	O	3:4:2:2:	3:4:3:	4:3:	C[5,6a]-3:N[5,5]-4:O-2:O-2:	C[5,6a]-3:B[5]-4:C[6a]-3:	B[5]-4:C[6a]-3:	B[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5]H)(OC[6a])2	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5]N[5,5]OO)(C[6a]C[6a]H)	O(B[5]C[5,6a]N[5,5]O)(C[6a]C[6a]2)	B[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5]H)(OC[6a])2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5]N[5,5]OO)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	O(B[5]C[5,6a]N[5,5]O)(C[6a]C[6a]2)	114.5945	0.807	4	114.5945	0.651	4	114.5945	0.651	4	114.5945	0.651	4	114.1959	6.902	12	114.1959	6.902	12
786	727	893	0:SP3_SP2_SP3	B[5,5]	C[5,6a]	O	3:4:2:2:	3:4:3:	4:1:	C[5,6a]-3:N[3x5]-4:O[5]-2:O-2:	C[5,6a]-3:B[5,5]-4:C[6a]-3:	B[5,5]-4:H-1:	B[5,5](C[5,6a]C[5,6a]C[6a])(N[3x5]C[5,5]2H)(O[5]C[5])(OH)	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5,5]N[3x5]O[5]O)(C[6a]C[6a]H)	O(B[5,5]C[5,6a]N[3x5]O[5])(H)	B[5,5](C[5,6a]C[5,6a]C[6a])(N[3x5]C[5,5]2H)(O[5]C[5])(OH){1|C<4>,1|O<1>,1|S<2>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5,5]N[3x5]O[5]O)(C[6a]C[6a]H){1|C<4>,1|S<2>,2|C<3>,4|H<1>}	O(B[5,5]C[5,6a]N[3x5]O[5])(H)	118.5830	0.738	2	119.0853	0.520	4	119.0853	0.520	4	119.0853	0.520	4	119.0853	0.520	4	114.3432	8.772	30
786	727	893	0:SP3_SP2_SP3	B[5,5]	C[5,6a]	O	3:4:2:2:	3:4:3:	4:1:	C[5,6a]-3:N[3x5]-4:O[5]-2:O-2:	C[5,6a]-3:B[5,5]-4:C[6a]-3:	B[5,5]-4:H-1:	B[5,5](C[5,6a]C[5,6a]C[6a])(N[3x5]C[5,5]2H)(O[5]C[5])(OH)	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5,5]N[3x5]O[5]O)(C[6a]C[6a]H)	O(B[5,5]C[5,6a]N[3x5]O[5])(H)	B[5,5](C[5,6a]C[5,6a]C[6a])(N[3x5]C[5,5]2H)(O[5]C[5])(OH){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5,5]N[3x5]O[5]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O(B[5,5]C[5,6a]N[3x5]O[5])(H)	119.6440	0.000	1	119.0853	0.520	4	119.0853	0.520	4	119.0853	0.520	4	119.0853	0.520	4	114.3432	8.772	30
786	727	893	0:SP3_SP2_SP3	B[5,5]	C[5,6a]	O	3:4:2:2:	3:4:3:	4:1:	C[5,6a]-3:N[3x5]-4:O[5]-2:O-2:	C[5,6a]-3:B[5,5]-4:C[6a]-3:	B[5,5]-4:H-1:	B[5,5](C[5,6a]C[5,6a]C[6a])(N[3x5]C[5,5]2H)(O[5]C[5])(OH)	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5,5]N[3x5]O[5]O)(C[6a]C[6a]H)	O(B[5,5]C[5,6a]N[3x5]O[5])(H)	B[5,5](C[5,6a]C[5,6a]C[6a])(N[3x5]C[5,5]2H)(O[5]C[5])(OH){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5,5]N[3x5]O[5]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	O(B[5,5]C[5,6a]N[3x5]O[5])(H)	119.5310	0.000	1	119.0853	0.520	4	119.0853	0.520	4	119.0853	0.520	4	119.0853	0.520	4	114.3432	8.772	30
786	727	893	0:SP3_SP2_SP3	B[5]	C[5,6a]	O	3:2:2:2:	3:3:4:	4:1:	C[5,6a]-3:O[5]-2:O-2:O-2:	C[5,6a]-3:C[6a]-3:B[5]-4:	B[5]-4:H-1:	B[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OH)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(B[5]O[5]OO)	O(B[5]C[5,6a]O[5]O)(H)	B[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OH)2{2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(B[5]O[5]OO){1|C<3>,4|H<1>}	O(B[5]C[5,6a]O[5]O)(H)	114.3445	1.882	2	114.3445	3.540	2	114.3445	3.540	2	114.3445	3.540	2	113.6137	5.962	26	114.3432	8.772	30
786	727	893	0:SP3_SP2_SP3	B[5]	C[5,6a]	O	3:2:3:2:	3:3:4:	4:1:	C[5,6a]-3:O[5]-2:O-3:O-2:	C[5,6a]-3:C[6a]-3:B[5]-4:	B[5]-4:H-1:	B[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(OHH)(OH)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]F)(B[5]O[5]OO)	O(B[5]C[5,6a]O[5]O)(H)	B[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(OHH)(OH){1|F<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]F)(B[5]O[5]OO){1|C<3>,1|O<2>,2|F<1>}	O(B[5]C[5,6a]O[5]O)(H)	118.3960	0.000	1	118.3960	0.000	1	118.3960	0.000	1	118.3960	0.000	1	113.6137	5.962	26	114.3432	8.772	30
786	727	893	0:SP3_SP2_SP3	B[5]	C[5,6a]	O	3:3:2:2:	3:3:4:	4:4:	C[5,6a]-3:N[5]-3:O-2:O-2:	C[5,6a]-3:C[6a]-3:B[5]-4:	B[5]-4:B[5]-4:	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(OB[5])(OC[6])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(B[5]N[5]OO)	O(B[5]C[5,6a]N[5]O)2	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(OB[5])(OC[6]){2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(B[5]N[5]OO){1|C<3>,1|C<4>,3|H<1>}	O(B[5]C[5,6a]N[5]O)2	113.9775	0.096	4	113.9775	0.009	4	113.9775	0.009	4	114.4453	0.284	8	113.6137	5.962	26	114.3432	8.772	30
786	727	893	0:SP3_SP2_SP3	B[5]	C[5,6a]	O	3:3:2:2:	3:3:4:	4:4:	C[5,6a]-3:N[5]-3:O-2:O-2:	C[5,6a]-3:C[6a]-3:B[5]-4:	B[5]-4:C[6]-4:	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(OB[5])(OC[6])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(B[5]N[5]OO)	O(B[5]C[5,6a]N[5]O)(C[6]C[6]2H)	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(OB[5])(OC[6]){2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(B[5]N[5]OO){1|C<3>,1|C<4>,3|H<1>}	O(B[5]C[5,6a]N[5]O)(C[6]C[6]2H)	114.9130	0.263	4	114.9130	0.069	4	114.9130	0.069	4	114.4453	0.284	8	113.6137	5.962	26	114.3432	8.772	30
786	727	893	0:SP3_SP2_SP3	B[5]	C[5,6a]	O	3:3:3:2:	3:3:4:	4:4:	C[5,6a]-3:O[5]-3:O[5]-3:O-2:	C[5,6a]-3:C[6a]-3:B[5]-4:	B[5]-4:C-4:	B[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5]I[5])2(OC)	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]F)(B[5]O[5]2O)	O(B[5]C[5,6a]O[5]2)(CH3)	B[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5]I[5])2(OC){1|F<1>,2|O<3>,4|O<2>,5|C<3>}	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]F)(B[5]O[5]2O){1|C<3>,1|I<3>,1|O<2>,2|B<4>,2|H<1>}	O(B[5]C[5,6a]O[5]2)(CH3)	115.1993	1.123	4	115.1993	1.260	4	115.1993	1.260	4	115.1993	1.260	4	113.6137	5.962	26	114.3432	8.772	30
786	727	893	0:SP3_SP2_SP3	B[5]	C[5,6a]	O	3:3:3:2:	3:4:3:	4:4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:B[5]-4:C[6a]-3:	B[5]-4:P-4:	B[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OP)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C[6a]O)(C[6a]C[6a]H)	O(B[5]C[5,6a]2C[6a])(PC3)	B[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OP){4|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C[6a]O)(C[6a]C[6a]H){2|H<1>,5|C<3>}	O(B[5]C[5,6a]2C[6a])(PC3)	112.9750	0.977	4	112.9750	0.955	4	112.9750	0.955	4	112.9750	0.955	4	113.6137	5.962	26	114.3432	8.772	30
786	727	893	0:SP3_SP2_SP3	B[5]	C[5,6a]	O	3:3:4:2:	3:4:3:	4:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:O-2:	C[5,6a]-3:B[5]-4:C[6a]-3:	B[5]-4:N[6]-3:	B[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]2Fe)(ON[6])	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C[5]O)(C[6a]C[6a]H)	O(B[5]C[5,6a]2C[5])(N[6]C[6]2)	B[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]2Fe)(ON[6]){2|C<4>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C[5]O)(C[6a]C[6a]H){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	O(B[5]C[5,6a]2C[5])(N[6]C[6]2)	115.2690	2.481	2	115.2690	6.153	2	115.2690	6.153	2	115.2690	6.153	2	113.6137	5.962	26	114.3432	8.772	30
786	727	893	0:SP3_SP2_SP3	B[5]	C[5,6a]	O	3:3:4:2:	3:4:3:	4:4:	C[5,6a]-3:C[6a]-3:C[5]-4:O-2:	C[5,6a]-3:B[5]-4:C[6a]-3:	B[5]-4:C-4:	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]HH)(OC)	C[5,6a](C[5,6a]C[6a]P[5])(B[5]C[6a]C[5]O)(C[6a]C[6a]F)	O(B[5]C[5,6a]C[6a]C[5])(CCHH)	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]HH)(OC){2|C<4>,3|F<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(B[5]C[6a]C[5]O)(C[6a]C[6a]F){1|F<1>,2|C<4>,3|C<3>,3|H<1>}	O(B[5]C[5,6a]C[6a]C[5])(CCHH)	110.3005	0.459	2	110.0295	0.224	4	110.0295	0.224	4	109.6146	1.029	5	113.6137	5.962	26	114.3432	8.772	30
786	727	893	0:SP3_SP2_SP3	B[5]	C[5,6a]	O	3:3:4:2:	3:4:3:	4:4:	C[5,6a]-3:C[6a]-3:C[5]-4:O-2:	C[5,6a]-3:B[5]-4:C[6a]-3:	B[5]-4:C-4:	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]HH)(OC)	C[5,6a](C[5,6a]C[6a]P[5])(B[5]C[6a]C[5]O)(C[6a]C[6a]F)	O(B[5]C[5,6a]C[6a]C[5])(CCHH)	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]HH)(OC){2|C<4>,3|F<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(B[5]C[6a]C[5]O)(C[6a]C[6a]F){2|C<4>,2|F<1>,2|H<1>,3|C<3>}	O(B[5]C[5,6a]C[6a]C[5])(CCHH)	109.7585	0.411	2	110.0295	0.224	4	110.0295	0.224	4	109.6146	1.029	5	113.6137	5.962	26	114.3432	8.772	30
786	727	893	0:SP3_SP2_SP3	B[5]	C[5,6a]	O	3:3:4:2:	3:4:3:	4:4:	C[5,6a]-3:C[6a]-3:C[5]-4:O-2:	C[5,6a]-3:B[5]-4:C[6a]-3:	B[5]-4:S-4:	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]HH)(OS)	C[5,6a](C[5,6a]C[6a]P[5])(B[5]C[6a]C[5]O)(C[6a]C[6a]F)	O(B[5]C[5,6a]C[6a]C[5])(SCOO)	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]HH)(OS){2|C<4>,3|F<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(B[5]C[6a]C[5]O)(C[6a]C[6a]F){2|C<4>,2|F<1>,2|H<1>,3|C<3>}	O(B[5]C[5,6a]C[6a]C[5])(SCOO)	107.9550	0.000	1	107.9550	0.000	1	107.9550	0.000	1	109.6146	1.029	5	113.6137	5.962	26	114.3432	8.772	30
786	727	906	5:SP3_SP-NON_SP2	B[5]	C[5,6a]	Cl[5]	3:2:1:1:	3:4:3:	4:4:	C[5,6a]-3:Cl[5]-2:Cl-1:Cl-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	B[5]-4:B[5]-4:	B[5](C[5,6a]C[5,6a]C[6a])(Cl[5]B[5])(Cl)2	C[5,6a](C[5,6a]C[6a]B[5])(B[5]Cl[5]Cl2)(C[6a]C[6a]H)	Cl[5](B[5]C[5,6a]Cl2)(B[5]C[5,6a]ClO)	B[5](C[5,6a]C[5,6a]C[6a])(Cl[5]B[5])(Cl)2{1|Cl<1>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(B[5]Cl[5]Cl2)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|O<2>,2|H<1>}	Cl[5](B[5]C[5,6a]Cl2)(B[5]C[5,6a]ClO){2|C<3>}	102.0370	0.000	1	102.0370	0.000	1	102.0370	0.000	1	102.0370	0.000	1	100.6045	6.334	4	100.6045	6.334	4
786	727	906	5:SP3_SP-NON_SP2	B[5]	C[5,6a]	Cl[5]	3:2:2:1:	3:4:3:	4:4:	C[5,6a]-3:Cl[5]-2:O-2:Cl-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	B[5]-4:B[5]-4:	B[5](C[5,6a]C[5,6a]C[6a])(Cl[5]B[5])(OC)(Cl)	C[5,6a](C[5,6a]C[6a]B[5])(B[5]Cl[5]ClO)(C[6a]C[6a]H)	Cl[5](B[5]C[5,6a]Cl2)(B[5]C[5,6a]ClO)	B[5](C[5,6a]C[5,6a]C[6a])(Cl[5]B[5])(OC)(Cl){2|Cl<1>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(B[5]Cl[5]ClO)(C[6a]C[6a]H){2|Cl<1>,1|C<3>,2|H<1>}	Cl[5](B[5]C[5,6a]Cl2)(B[5]C[5,6a]ClO){2|C<3>}	103.3740	0.000	1	103.3740	0.000	1	103.3740	0.000	1	103.3740	0.000	1	100.6045	6.334	4	100.6045	6.334	4
786	727	906	5:SP3_SP-NON_SP2	B[5]	C[5,6a]	Cl[5]	3:3:3:2:	3:4:3:	4:4:	C[5,6a]-3:C[6a]-3:C[6a]-3:Cl[5]-2:	C[5,6a]-3:B[5]-4:C[6a]-3:	B[5]-4:B[5]-4:	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(Cl[5]B[5])	C[5,6a](C[5,6a]C[6a]B[5])(B[5]C[6a]2Cl[5])(C[6a]C[6a]F)	Cl[5](B[5]C[5,6a]C[6a]2)2	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(Cl[5]B[5]){5|F<1>,8|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(B[5]C[6a]2Cl[5])(C[6a]C[6a]F){2|F<1>,7|C<3>}	Cl[5](B[5]C[5,6a]C[6a]2)2{10|C<3>}	98.5035	0.671	2	98.5035	0.451	2	98.5035	0.451	2	98.5035	0.451	2	100.6045	6.334	4	100.6045	6.334	4
786	727	916	0:SP3_SP2_SP3	B[5]	C[5,6a]	O[5]	3:3:3:2:	3:3:4:	4:4:3:	C[5,6a]-3:O[5]-3:O[5]-3:O-2:	C[5,6a]-3:C[6a]-3:B[5]-4:	B[5]-4:B[5]-4:I[5]-3:	B[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5]I[5])2(OC)	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]F)(B[5]O[5]2O)	O[5](B[5]C[5,6a]O[5]O)2(I[5]C[5,6a]O)	B[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5]I[5])2(OC){1|F<1>,2|O<3>,4|O<2>,5|C<3>}	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]F)(B[5]O[5]2O){1|C<3>,1|I<3>,1|O<2>,2|B<4>,2|H<1>}	O[5](B[5]C[5,6a]O[5]O)2(I[5]C[5,6a]O){2|B<4>,2|I<3>,4|C<3>}	111.3760	0.950	4	111.3760	0.902	4	111.3760	0.902	4	111.3760	0.902	4	108.8781	11.913	8	108.8781	11.913	8
786	727	916	0:SP3_SP2_SP3	B[5]	C[5,6a]	O[5]	3:3:3:3:	4:3:3:	4:4:4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O[5]-3:	B[5]-4:C[5,6a]-3:C[6a]-3:	B[5]-4:C[5]-4:C[5]-4:	B[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(O[5]C[5]2)	C[5,6a](B[5]C[5,6a]C[6a]O[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]F)	O[5](B[5]C[5,6a]2C[6a])(C[5]C[5]HH)2	B[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(O[5]C[5]2){1|B<3>,2|C<4>,3|F<1>,4|H<1>,6|C<3>}	C[5,6a](B[5]C[5,6a]C[6a]O[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]F){2|C<4>,2|F<1>,5|C<3>}	O[5](B[5]C[5,6a]2C[6a])(C[5]C[5]HH)2{4|H<1>,6|C<3>}	108.9755	0.622	2	106.3803	10.257	4	106.3803	10.257	4	106.3803	10.257	4	108.8781	11.913	8	108.8781	11.913	8
786	727	916	0:SP3_SP2_SP3	B[5]	C[5,6a]	O[5]	3:3:3:3:	4:3:3:	4:4:4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O[5]-3:	B[5]-4:C[5,6a]-3:C[6a]-3:	B[5]-4:C[5]-4:C[5]-4:	B[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(O[5]C[5]2)	C[5,6a](B[5]C[5,6a]C[6a]O[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]F)	O[5](B[5]C[5,6a]2C[6a])(C[5]C[5]HH)2	B[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(O[5]C[5]2){1|B<4>,2|C<4>,3|F<1>,4|H<1>,6|C<3>}	C[5,6a](B[5]C[5,6a]C[6a]O[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]F){2|C<4>,2|F<1>,5|C<3>}	O[5](B[5]C[5,6a]2C[6a])(C[5]C[5]HH)2{4|H<1>,6|C<3>}	103.7850	1.855	2	106.3803	10.257	4	106.3803	10.257	4	106.3803	10.257	4	108.8781	11.913	8	108.8781	11.913	8
786	727	916	5:SP3_SP2_SP3	B[5]	C[5,6a]	O[5]	3:3:1:1:	3:4:3:	4:4:4:	C[5,6a]-3:O[5]-3:Cl-1:Cl-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	B[5]-4:B[5]-4:C-4:	B[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5]C)(Cl)2	C[5,6a](C[5,6a]C[6a]B[5])(B[5]O[5]Cl2)(C[6a]C[6a]H)	O[5](B[5]C[5,6a]Cl2)2(CCHH)	B[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5]C)(Cl)2{2|Cl<1>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(B[5]O[5]Cl2)(C[6a]C[6a]H){2|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	O[5](B[5]C[5,6a]Cl2)2(CCHH){2|C<3>}	102.2635	0.180	2	102.2635	0.033	2	102.2635	0.033	2	102.2635	0.033	2	101.8552	7.061	8	101.8552	7.061	8
786	727	916	5:SP3_SP2_SP3	B[5]	C[5,6a]	O[5]	3:3:3:2:	3:3:4:	4:4:3:	C[5,6a]-3:O[5]-3:O[5]-3:O-2:	C[5,6a]-3:C[6a]-3:B[5]-4:	B[5]-4:B[5]-4:I[5]-3:	B[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5]I[5])2(OC)	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]F)(B[5]O[5]2O)	O[5](B[5]C[5,6a]O[5]O)2(I[5]C[5,6a]O)	B[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5]I[5])2(OC){1|F<1>,2|O<3>,4|O<2>,5|C<3>}	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]F)(B[5]O[5]2O){1|C<3>,1|I<3>,1|O<2>,2|B<4>,2|H<1>}	O[5](B[5]C[5,6a]O[5]O)2(I[5]C[5,6a]O){2|B<4>,2|I<3>,4|C<3>}	103.7268	0.433	4	103.7268	0.187	4	103.7268	0.187	4	103.7268	0.187	4	101.8552	7.061	8	101.8552	7.061	8
786	727	916	5:SP3_SP2_SP3	B[5]	C[5,6a]	O[5]	3:3:3:3:	3:4:3:	4:4:4:	C[5,6a]-3:C[6a]-3:C[6a]-3:O[5]-3:	C[5,6a]-3:B[5]-4:C[6a]-3:	B[5]-4:B[5]-4:C-4:	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(O[5]B[5]C)	C[5,6a](C[5,6a]C[6a]B[5])(B[5]C[6a]2O[5])(C[6a]C[6a]F)	O[5](B[5]C[5,6a]C[6a]2)2(CH3)	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(O[5]B[5]C){5|F<1>,8|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(B[5]C[6a]2O[5])(C[6a]C[6a]F){1|C<4>,2|F<1>,7|C<3>}	O[5](B[5]C[5,6a]C[6a]2)2(CH3){10|C<3>}	97.7037	0.139	2	97.7037	0.019	2	97.7037	0.019	2	97.7037	0.019	2	101.8552	7.061	8	101.8552	7.061	8
786	727	924	0:SP3_SP-NON_SP2	B[5]	C[5,5a]	Br	3:3:1:1:	3:4:3:	4:	C[5,5a]-3:N[5,6]-3:Br-1:Br-1:	C[5,5a]-3:B[5]-4:C[5a]-3:	B[5]-4:	B[5](C[5,5a]C[5,5a]C[5a])(N[5,6]C[5,6]C[6])(Br)2	C[5,5a](C[5,5a]C[5,6]S[5a])(B[5]N[5,6]Br2)(C[5a]C[5a]2)	Br(B[5]C[5,5a]N[5,6]Br)	B[5](C[5,5a]C[5,5a]C[5a])(N[5,6]C[5,6]C[6])(Br)2{1|H<1>,1|S<2>,4|C<3>}	C[5,5a](C[5,5a]C[5,6]S[5a])(B[5]N[5,6]Br2)(C[5a]C[5a]2){5|C<3>}	Br(B[5]C[5,5a]N[5,6]Br)	115.0715	1.187	2	115.0715	1.410	2	115.0715	1.410	2	115.0715	1.410	2	115.0715	1.410	2	110.5625	15.902	6
786	727	924	0:SP3_SP-NON_SP2	B[5]	C[5,6a]	Br	3:3:3:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:C[5]-3:Br-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	B[5]-4:	B[5](C[5,6a]C[5,6a]C[6a])2(C[5]N[5]2)(Br)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C[5]Br)(C[6a]C[6a]H)	Br(B[5]C[5,6a]2C[5])	B[5](C[5,6a]C[5,6a]C[6a])2(C[5]N[5]2)(Br){2|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C[5]Br)(C[6a]C[6a]H){2|H<1>,2|N<3>,3|C<3>}	Br(B[5]C[5,6a]2C[5])	110.0005	2.331	2	110.0005	5.435	2	110.0005	5.435	2	110.0005	5.435	2	108.3080	5.703	4	110.5625	15.902	6
786	727	924	0:SP3_SP-NON_SP2	B[5]	C[5,6a]	Br	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:C-4:Br-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	B[5]-4:	B[5](C[5,6a]C[5,6a]C[6a])2(CC[5]HH)(Br)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]BrC)(C[6a]C[6a]H)	Br(B[5]C[5,6a]2C)	B[5](C[5,6a]C[5,6a]C[6a])2(CC[5]HH)(Br){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]BrC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	Br(B[5]C[5,6a]2C)	106.6155	0.463	2	106.6155	0.215	2	106.6155	0.215	2	106.6155	0.215	2	108.3080	5.703	4	110.5625	15.902	6
786	727	941	0:SP3_SP2_SP2	B[5]	C[5,6a]	N	3:3:3:2:	3:4:3:	4:2:	C[5,6a]-3:C[5,6a]-3:N[6]-3:N-2:	C[5,6a]-3:B[5]-4:C[6a]-3:	B[5]-4:N-2:	B[5](C[5,6a]C[5,6a]C[6a])2(N[6]C[6]2)(NN)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]N[6]N)(C[6a]C[6a]H)	N(B[5]C[5,6a]2N[6])(NN)	B[5](C[5,6a]C[5,6a]C[6a])2(N[6]C[6]2)(NN){4|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]N[6]N)(C[6a]C[6a]H){2|H<1>,5|C<3>}	N(B[5]C[5,6a]2N[6])(NN)	115.4893	1.054	10	115.4893	1.111	10	115.4893	1.111	10	115.4893	1.111	10	115.4893	1.111	10	115.4893	1.111	10
786	727	951	0:SP3_SP-NON_SP2	B[5,5]	C[5,6a]	H	3:4:4:1:	4:3:3:	4:	C[5,6a]-3:N[5,5]-4:C[5]-4:H-1:	B[5,5]-4:C[5,6a]-3:C[6a]-3:	B[5,5]-4:	B[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2C)(C[5]C[5]CH)(H)	C[5,6a](B[5,5]N[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(B[5,5]C[5,6a]N[5,5]C[5])	B[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2C)(C[5]C[5]CH)(H){2|C<3>,7|H<1>}	C[5,6a](B[5,5]N[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,4|C<4>,5|H<1>}	H(B[5,5]C[5,6a]N[5,5]C[5])	111.0270	0.000	1	111.0270	0.000	1	111.5665	0.582	2	111.5665	0.582	2	111.5665	0.582	2	111.9616	9.869	14
786	727	951	0:SP3_SP-NON_SP2	B[5,5]	C[5,6a]	H	3:4:4:1:	4:3:3:	4:	C[5,6a]-3:N[5,5]-4:C[5]-4:H-1:	B[5,5]-4:C[5,6a]-3:C[6a]-3:	B[5,5]-4:	B[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2C)(C[5]C[5]HH)(H)	C[5,6a](B[5,5]N[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(B[5,5]C[5,6a]N[5,5]C[5])	B[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2C)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,5|H<1>}	C[5,6a](B[5,5]N[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,3|C<4>,6|H<1>}	H(B[5,5]C[5,6a]N[5,5]C[5])	112.1060	0.000	1	112.1060	0.000	1	111.5665	0.582	2	111.5665	0.582	2	111.5665	0.582	2	111.9616	9.869	14
786	727	951	0:SP3_SP-NON_SP2	B[5]	C[5,6a]	H	3:2:1:1:	3:3:4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:B[5]-4:	B[5]-4:	B[5](C[5,6a]C[5,6a]C[6a])(O[5]P[5])(H)2	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(B[5]O[5]HH)	H(B[5]C[5,6a]O[5]H)	B[5](C[5,6a]C[5,6a]C[6a])(O[5]P[5])(H)2{1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(B[5]O[5]HH){1|C<3>,2|C<4>,2|H<1>}	H(B[5]C[5,6a]O[5]H)	116.2490	0.000	1	116.2490	0.000	1	116.2490	0.000	1	116.2490	0.000	1	112.0275	11.578	12	111.9616	9.869	14
786	727	951	0:SP3_SP-NON_SP2	B[5]	C[5,6a]	H	3:3:2:1:	3:4:3:	4:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	B[5]-4:	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]P[5])(H)	C[5,6a](C[5,6a]C[6a]P[5])(B[5]C[6a]O[5]H)(C[6a]C[6a]H)	H(B[5]C[5,6a]C[6a]O[5])	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]P[5])(H){1|H<1>,2|C<4>,2|F<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(B[5]C[6a]O[5]H)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	H(B[5]C[5,6a]C[6a]O[5])	109.0385	1.245	2	109.0385	1.551	2	109.0385	1.551	2	109.0385	1.551	2	112.0275	11.578	12	111.9616	9.869	14
786	727	951	0:SP3_SP-NON_SP2	B[5]	C[5,6a]	H	3:3:3:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	B[5]-4:	B[5](C[5,6a]C[5,6a]C[6a])2(C[5]N[5]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C[5]H)(C[6a]C[6a]H)	H(B[5]C[5,6a]2C[5])	B[5](C[5,6a]C[5,6a]C[6a])2(C[5]N[5]2)(H){2|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C[5]H)(C[6a]C[6a]H){2|H<1>,2|N<3>,3|C<3>}	H(B[5]C[5,6a]2C[5])	110.0035	0.875	2	110.0035	0.765	2	110.0035	0.765	2	110.0035	0.765	2	112.0275	11.578	12	111.9616	9.869	14
786	727	951	0:SP3_SP-NON_SP2	B[5]	C[5,6a]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:C[5,6a]-3:P-4:H-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	B[5]-4:	B[5](C[5,6a]C[5,6a]C[6a])2(PCCH)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]HP)(C[6a]C[6a]H)	H(B[5]C[5,6a]2P)	B[5](C[5,6a]C[5,6a]C[6a])2(PCCH)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]HP)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(B[5]C[5,6a]2P)	114.0515	0.235	2	114.0515	0.055	2	114.0515	0.055	2	111.0920	12.664	4	112.0275	11.578	12	111.9616	9.869	14
786	727	951	0:SP3_SP-NON_SP2	B[5]	C[5,6a]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	B[5]-4:	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]HH)(H)	C[5,6a](C[5,6a]C[6a]P[5])(B[5]C[6a]C[5]H)(C[6a]C[6a]F)	H(B[5]C[5,6a]C[6a]C[5])	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]HH)(H){2|C<4>,3|F<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(B[5]C[6a]C[5]H)(C[6a]C[6a]F){1|F<1>,2|C<4>,3|C<3>,3|H<1>}	H(B[5]C[5,6a]C[6a]C[5])	109.3370	0.000	1	109.3370	0.000	1	109.3370	0.000	1	111.0920	12.664	4	112.0275	11.578	12	111.9616	9.869	14
786	727	951	0:SP3_SP-NON_SP2	B[5]	C[5,6a]	H	3:3:4:1:	3:4:3:	4:	C[5,6a]-3:C[6a]-3:N[5]-4:H-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	B[5]-4:	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]CC)(H)	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]N[5]H)(C[6a]C[6a]H)	H(B[5]C[5,6a]C[6a]N[5])	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]CC)(H){2|H<1>,3|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]N[5]H)(C[6a]C[6a]H){3|C<3>,3|C<4>,3|H<1>}	H(B[5]C[5,6a]C[6a]N[5])	106.9280	0.000	1	106.9280	0.000	1	106.9280	0.000	1	111.0920	12.664	4	112.0275	11.578	12	111.9616	9.869	14
786	727	951	0:SP3_SP-NON_SP2	B[5]	C[5,6a]	H	3:4:1:1:	3:3:4:	4:	C[5,6a]-3:N[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:B[5]-4:	B[5]-4:	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(B[5]N[5]HH)	H(B[5]C[5,6a]N[5]H)	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]HH)(H)2{2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(B[5]N[5]HH){1|C<3>,6|H<1>}	H(B[5]C[5,6a]N[5]H)	115.2700	3.043	2	115.2700	9.262	2	115.2700	9.262	2	115.2700	9.262	2	112.0275	11.578	12	111.9616	9.869	14
786	727	951	0:SP3_SP-NON_SP2	B[5]	C[5,6a]	H	3:4:3:1:	3:3:4:	4:	C[5,6a]-3:P[5]-4:N-3:H-1:	C[5,6a,6a]-3:C[6a]-3:B[5]-4:	B[5]-4:	B[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]CC)(NSS)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(B[5]P[5]HN)	H(B[5]C[5,6a]P[5]N)	B[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]CC)(NSS)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(B[5]P[5]HN){1|H<1>,2|C<4>,3|C<3>}	H(B[5]C[5,6a]P[5]N)	115.0890	0.000	1	115.0890	0.000	1	115.0890	0.000	1	115.0890	0.000	1	112.0275	11.578	12	111.9616	9.869	14
786	727	955	0:SP3_SP2_SP3	B[5,5]	C[5,6a]	P[5]	3:3:3:4:	3:4:3:	3:4:4:4:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:P[5]-4:	C[5,6a]-3:B[5,5]-4:C[6a]-3:	C[5,6a]-3:B[5,5]-4:C-4:C-4:	B[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])2(P[5]C[5,6a]CC)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5,5]C[5,6a]2P[5])(C[6a]C[6a]H)	P[5](C[5,6a]C[5,6a,6a]C[6a])(B[5,5]C[5,6a]3)(CCCH)2	B[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])2(P[5]C[5,6a]CC){3|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5,5]C[5,6a]2P[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,6|C<3>}	P[5](C[5,6a]C[5,6a,6a]C[6a])(B[5,5]C[5,6a]3)(CCCH)2{1|H<1>,7|C<3>}	110.7620	0.105	2	110.7620	0.011	2	110.7620	0.011	2	110.7620	0.011	2	110.7620	0.011	2	110.7620	0.011	2
786	727	955	5:SP3_SP2_SP3	B[5,5]	C[5,6a]	P[5]	3:3:3:4:	3:4:3:	3:4:4:4:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:P[5]-4:	C[5,6a,6a]-3:B[5,5]-4:C[6a]-3:	C[5,6a]-3:B[5,5]-4:C-4:C-4:	B[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])2(P[5]C[5,6a]CC)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(B[5,5]C[5,6a]2P[5])(C[6a]C[6a]H)	P[5](C[5,6a]C[5,6a,6a]C[6a])(B[5,5]C[5,6a]3)(CCCH)2	B[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])2(P[5]C[5,6a]CC){3|H<1>,7|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(B[5,5]C[5,6a]2P[5])(C[6a]C[6a]H){1|H<1>,2|C<4>,7|C<3>}	P[5](C[5,6a]C[5,6a,6a]C[6a])(B[5,5]C[5,6a]3)(CCCH)2{1|H<1>,7|C<3>}	97.0887	0.000	1	97.0887	0.000	1	97.0887	0.000	1	97.0887	0.000	1	97.0887	0.000	1	96.2862	6.872	9
786	727	955	5:SP3_SP2_SP3	B[5]	C[5,6a]	P[5]	3:3:3:4:	3:4:3:	4:4:4:4:	C[5,6a]-3:C[6a]-3:C[6a]-3:P[5]-4:	C[5,6a]-3:B[5]-4:C[6a]-3:	B[5]-4:C[5]-4:C-4:C-4:	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(P[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2P[5])(C[6a]C[6a]H)	P[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]HH)(CC3)2	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(P[5]C[5]CC){3|H<1>,4|F<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2P[5])(C[6a]C[6a]H){2|C<4>,4|H<1>,5|C<3>}	P[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]HH)(CC3)2{6|C<3>}	92.4832	0.000	1	92.4832	0.000	1	92.4832	0.000	1	92.4832	0.000	1	96.1859	7.751	8	96.2862	6.872	9
786	727	955	5:SP3_SP2_SP3	B[5]	C[5,6a]	P[5]	3:4:1:1:	3:4:3:	3:4:3:3:	C[5,6a]-3:P[5]-4:Cl-1:Cl-1:	C[5,6a,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:B[5]-4:C[6a]-3:C[6a]-3:	B[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]C[6a]2)(Cl)2	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(B[5]P[5]Cl2)(C[6a]C[6a]H)	P[5](C[5,6a]C[5,6a,6a]C[6a])(B[5]C[5,6a]Cl2)(C[6a]C[6a]2)2	B[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]C[6a]2)(Cl)2{1|H<1>,7|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(B[5]P[5]Cl2)(C[6a]C[6a]H){1|H<1>,5|C<3>}	P[5](C[5,6a]C[5,6a,6a]C[6a])(B[5]C[5,6a]Cl2)(C[6a]C[6a]2)2{5|H<1>,7|C<3>}	99.2610	0.000	1	99.2610	0.000	1	99.2610	0.000	1	99.2610	0.000	1	96.1859	7.751	8	96.2862	6.872	9
786	727	955	5:SP3_SP2_SP3	B[5]	C[5,6a]	P[5]	3:4:1:1:	3:4:3:	4:4:4:4:	C[5,6a]-3:P[5]-4:Cl-1:Cl-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	B[5]-4:C[5]-4:C-4:C-4:	B[5](C[5,6a]C[5,6a]C[6a])(P[5]C[5]CC)(Cl)2	C[5,6a](C[5,6a]C[6a]C[5])(B[5]P[5]Cl2)(C[6a]C[6a]H)	P[5](B[5]C[5,6a]Cl2)(C[5]C[5,6a]HH)(CC3)2	B[5](C[5,6a]C[5,6a]C[6a])(P[5]C[5]CC)(Cl)2{2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(B[5]P[5]Cl2)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	P[5](B[5]C[5,6a]Cl2)(C[5]C[5,6a]HH)(CC3)2{2|C<3>}	98.1473	0.000	1	98.1473	0.000	1	98.1473	0.000	1	98.1473	0.000	1	96.1859	7.751	8	96.2862	6.872	9
786	727	955	5:SP3_SP2_SP3	B[5]	C[5,6a]	P[5]	3:4:3:1:	3:3:4:	3:4:4:4:	C[5,6a]-3:P[5]-4:N-3:H-1:	C[5,6a,6a]-3:C[6a]-3:B[5]-4:	C[5,6a]-3:B[5]-4:C-4:C-4:	B[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]CC)(NSS)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(B[5]P[5]HN)	P[5](C[5,6a]C[5,6a,6a]C[6a])(B[5]C[5,6a]HN)(CCCH)2	B[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]CC)(NSS)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(B[5]P[5]HN){1|H<1>,2|C<4>,3|C<3>}	P[5](C[5,6a]C[5,6a,6a]C[6a])(B[5]C[5,6a]HN)(CCCH)2{1|H<1>,3|C<3>}	100.2040	0.000	1	100.2040	0.000	1	100.2040	0.000	1	100.2040	0.000	1	96.1859	7.751	8	96.2862	6.872	9
786	727	955	5:SP3_SP2_SP3	B[5]	C[5,6a]	P[5]	3:4:3:3:	3:4:3:	3:4:3:3:	C[5,6a]-3:P[5]-4:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:B[5]-4:C[6a]-3:C[6a]-3:	B[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]C[6a]2)(C[6a]C[6a]2)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(B[5]C[6a]2P[5])(C[6a]C[6a]H)	P[5](C[5,6a]C[5,6a,6a]C[6a])(B[5]C[5,6a]C[6a]2)(C[6a]C[6a]2)2	B[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]C[6a]2)(C[6a]C[6a]2)2{11|C<3>,1|H<1>,4|C<4>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(B[5]C[6a]2P[5])(C[6a]C[6a]H){1|H<1>,9|C<3>}	P[5](C[5,6a]C[5,6a,6a]C[6a])(B[5]C[5,6a]C[6a]2)(C[6a]C[6a]2)2{11|C<3>,5|H<1>}	93.9928	0.245	2	93.9928	0.060	2	93.9928	0.060	2	93.9928	0.060	2	96.1859	7.751	8	96.2862	6.872	9
786	727	955	5:SP3_SP2_SP3	B[5]	C[5,6a]	P[5]	3:4:3:3:	3:4:3:	3:4:4:4:	C[5,6a]-3:P[5]-4:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:B[5]-4:C-4:C-4:	B[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]CC)(C[6a]C[6a]2)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(B[5]C[6a]2P[5])(C[6a]C[6a]H)	P[5](C[5,6a]C[5,6a,6a]C[6a])(B[5]C[5,6a]C[6a]2)(CCCH)2	B[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]CC)(C[6a]C[6a]2)2{1|H<1>,4|C<4>,7|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(B[5]C[6a]2P[5])(C[6a]C[6a]H){1|H<1>,2|C<4>,7|C<3>}	P[5](C[5,6a]C[5,6a,6a]C[6a])(B[5]C[5,6a]C[6a]2)(CCCH)2{1|H<1>,7|C<3>}	95.0140	0.000	1	95.0140	0.000	1	95.0140	0.000	1	95.0140	0.000	1	96.1859	7.751	8	96.2862	6.872	9
786	727	955	5:SP3_SP2_SP3	B[5]	C[5,6a]	P[5]	3:4:3:4:	3:4:3:	3:4:3:3:	C[5,6a]-3:P[5]-4:C[6a]-3:N-4:	C[5,6a,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:B[5]-4:C[6a]-3:C[6a]-3:	B[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]C[6a]2)(C[6a]C[6a]2)(NH3)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(B[5]C[6a]P[5]N)(C[6a]C[6a]H)	P[5](C[5,6a]C[5,6a,6a]C[6a])(B[5]C[5,6a]C[6a]N)(C[6a]C[6a]2)2	B[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]C[6a]2)(C[6a]C[6a]2)(NH3){1|H<1>,2|C<4>,9|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(B[5]C[6a]P[5]N)(C[6a]C[6a]H){1|H<1>,7|C<3>}	P[5](C[5,6a]C[5,6a,6a]C[6a])(B[5]C[5,6a]C[6a]N)(C[6a]C[6a]2)2{5|H<1>,9|C<3>}	96.3918	0.000	1	96.3918	0.000	1	96.3918	0.000	1	96.3918	0.000	1	96.1859	7.751	8	96.2862	6.872	9
786	727	956	0:SP3_SP2_SP2	B[5]	C[5,6a]	N	3:4:3:1:	3:3:4:	4:4:4:	C[5,6a]-3:P[5]-4:N-3:H-1:	C[5,6a,6a]-3:C[6a]-3:B[5]-4:	B[5]-4:S-4:S-4:	B[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]CC)(NSS)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(B[5]P[5]HN)	N(B[5]C[5,6a]P[5]H)(SCOO)2	B[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]CC)(NSS)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(B[5]P[5]HN){1|H<1>,2|C<4>,3|C<3>}	N(B[5]C[5,6a]P[5]H)(SCOO)2	116.5980	0.000	1	116.5980	0.000	1	116.5980	0.000	1	116.5980	0.000	1	116.5980	0.000	1	116.5980	0.000	1
786	727	976	0:SP3_SP2_SP2	B[5,5]	C[5,6a]	O[5]	3:4:2:2:	3:4:3:	4:3:	C[5,6a]-3:N[3x5]-4:O[5]-2:O-2:	C[5,6a]-3:B[5,5]-4:C[6a]-3:	B[5,5]-4:C[5]-3:	B[5,5](C[5,6a]C[5,6a]C[6a])(N[3x5]C[5,5]2H)(O[5]C[5])(OH)	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5,5]N[3x5]O[5]O)(C[6a]C[6a]H)	O[5](B[5,5]C[5,6a]N[3x5]O)(C[5]C[5,5]O)	B[5,5](C[5,6a]C[5,6a]C[6a])(N[3x5]C[5,5]2H)(O[5]C[5])(OH){1|C<4>,1|O<1>,1|S<2>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5,5]N[3x5]O[5]O)(C[6a]C[6a]H){1|C<4>,1|S<2>,2|C<3>,4|H<1>}	O[5](B[5,5]C[5,6a]N[3x5]O)(C[5]C[5,5]O){2|C<3>,2|C<4>,2|H<1>}	117.8620	0.585	2	117.8620	0.343	2	117.8620	0.343	2	117.8620	0.343	2	117.8620	0.343	2	113.2246	4.428	20
786	727	976	0:SP3_SP2_SP2	B[5,5]	C[5a]	O[5]	3:4:2:2:	3:4:3:	4:3:	C[5a]-3:N[5,5]-4:O[5]-2:O[5]-2:	C[5a,6a]-3:B[5,5]-4:C[5a]-3:	B[5,5]-4:C[5]-3:	B[5,5](C[5a]C[5a,6a]C[5a])(N[5,5]C[5]2C)(O[5]C[5])2	C[5a](C[5a,6a]C[5a,6a]C[6a])(B[5,5]N[5,5]O[5]2)(C[5a]C[6a]O[5a])	O[5](B[5,5]N[5,5]C[5a]O[5])(C[5]C[5]O)	B[5,5](C[5a]C[5a,6a]C[5a])(N[5,5]C[5]2C)(O[5]C[5])2{1|O<2>,2|O<1>,3|C<3>,4|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(B[5,5]N[5,5]O[5]2)(C[5a]C[6a]O[5a]){1|H<1>,3|C<4>,6|C<3>}	O[5](B[5,5]N[5,5]C[5a]O[5])(C[5]C[5]O){2|C<4>,2|H<1>,3|C<3>}	113.1020	3.345	2	113.1020	11.186	2	113.1020	11.186	2	113.1020	11.186	2	112.7093	2.118	18	113.2246	4.428	20
786	727	976	0:SP3_SP2_SP2	B[5,5]	C[5a]	O[5]	3:4:2:2:	4:3:2:	4:3:	C[5a]-3:N[5,5]-4:O[5]-2:O[5]-2:	B[5,5]-4:C[5a]-3:N[5a]-2:	B[5,5]-4:C[5]-3:	B[5,5](C[5a]C[5a]N[5a])(N[5,5]C[5]2C)(O[5]C[5])2	C[5a](B[5,5]N[5,5]O[5]2)(C[5a]C[5a]H)(N[5a]N[5a])	O[5](B[5,5]N[5,5]C[5a]O[5])(C[5]C[5]O)	B[5,5](C[5a]C[5a]N[5a])(N[5,5]C[5]2C)(O[5]C[5])2{1|C<3>,1|N<3>,2|O<1>,5|H<1>}	C[5a](B[5,5]N[5,5]O[5]2)(C[5a]C[5a]H)(N[5a]N[5a]){3|C<3>,4|C<4>}	O[5](B[5,5]N[5,5]C[5a]O[5])(C[5]C[5]O){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	112.0750	0.074	2	112.0750	0.005	2	112.6033	0.967	6	112.6603	1.632	16	112.7093	2.118	18	113.2246	4.428	20
786	727	976	0:SP3_SP2_SP2	B[5,5]	C[5a]	O[5]	3:4:2:2:	4:3:2:	4:3:	C[5a]-3:N[5,5]-4:O[5]-2:O[5]-2:	B[5,5]-4:C[5a]-3:N[5a]-2:	B[5,5]-4:C[5]-3:	B[5,5](C[5a]C[5a]N[5a])(N[5,5]C[5]2C)(O[5]C[5])2	C[5a](B[5,5]N[5,5]O[5]2)(C[5a]S[5a]H)(N[5a]C[5a])	O[5](B[5,5]N[5,5]C[5a]O[5])(C[5]C[5]O)	B[5,5](C[5a]C[5a]N[5a])(N[5,5]C[5]2C)(O[5]C[5])2{1|C<3>,1|S<2>,2|O<1>,5|H<1>}	C[5a](B[5,5]N[5,5]O[5]2)(C[5a]S[5a]H)(N[5a]C[5a]){1|N<3>,2|C<3>,3|C<4>}	O[5](B[5,5]N[5,5]C[5a]O[5])(C[5]C[5]O){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	112.8675	1.154	4	112.8675	1.331	4	112.6033	0.967	6	112.6603	1.632	16	112.7093	2.118	18	113.2246	4.428	20
786	727	976	0:SP3_SP2_SP2	B[5,5]	C[5a]	O[5]	3:4:2:2:	4:3:2:	4:3:	C[5a]-3:N[5,5]-4:O[5]-2:O[5]-2:	B[5,5]-4:C[5a]-3:S[5a]-2:	B[5,5]-4:C[5]-3:	B[5,5](C[5a]C[5a]S[5a])(N[5,5]C[5]2C)(O[5]C[5])2	C[5a](B[5,5]N[5,5]O[5]2)(C[5a]C[5a]C)(S[5a]C[5a])	O[5](B[5,5]N[5,5]C[5a]O[5])(C[5]C[5]O)	B[5,5](C[5a]C[5a]S[5a])(N[5,5]C[5]2C)(O[5]C[5])2{1|C<4>,2|C<3>,2|O<1>,4|H<1>}	C[5a](B[5,5]N[5,5]O[5]2)(C[5a]C[5a]C)(S[5a]C[5a]){1|H<1>,3|C<3>,3|C<4>}	O[5](B[5,5]N[5,5]C[5a]O[5])(C[5]C[5]O){1|S<2>,2|C<3>,2|C<4>,2|H<1>}	113.7255	1.529	4	113.7255	2.338	4	112.6944	2.178	10	112.6603	1.632	16	112.7093	2.118	18	113.2246	4.428	20
786	727	976	0:SP3_SP2_SP2	B[5,5]	C[5a]	O[5]	3:4:2:2:	4:3:2:	4:3:	C[5a]-3:N[5,5]-4:O[5]-2:O[5]-2:	B[5,5]-4:C[5a]-3:S[5a]-2:	B[5,5]-4:C[5]-3:	B[5,5](C[5a]C[5a]S[5a])(N[5,5]C[5]2C)(O[5]C[5])2	C[5a](B[5,5]N[5,5]O[5]2)(C[5a]C[5a]H)(S[5a]C[5a])	O[5](B[5,5]N[5,5]C[5a]O[5])(C[5]C[5]O)	B[5,5](C[5a]C[5a]S[5a])(N[5,5]C[5]2C)(O[5]C[5])2{2|C<3>,2|O<1>,5|H<1>}	C[5a](B[5,5]N[5,5]O[5]2)(C[5a]C[5a]H)(S[5a]C[5a]){1|Br<1>,2|C<3>,4|C<4>}	O[5](B[5,5]N[5,5]C[5a]O[5])(C[5]C[5]O){1|S<2>,2|C<3>,2|C<4>,2|H<1>}	111.9095	0.759	4	111.9095	0.577	4	112.6944	2.178	10	112.6603	1.632	16	112.7093	2.118	18	113.2246	4.428	20
786	727	976	0:SP3_SP2_SP2	B[5,5]	C[5a]	O[5]	3:4:2:2:	4:3:2:	4:3:	C[5a]-3:N[5,5]-4:O[5]-2:O[5]-2:	B[5,5]-4:C[5a]-3:S[5a]-2:	B[5,5]-4:C[5]-3:	B[5,5](C[5a]C[5a]S[5a])(N[5,5]C[5]2C)(O[5]C[5])2	C[5a](B[5,5]N[5,5]O[5]2)(C[5a]N[5a]H)(S[5a]C[5a])	O[5](B[5,5]N[5,5]C[5a]O[5])(C[5]C[5]O)	B[5,5](C[5a]C[5a]S[5a])(N[5,5]C[5]2C)(O[5]C[5])2{1|C<3>,1|N<2>,2|O<1>,5|H<1>}	C[5a](B[5,5]N[5,5]O[5]2)(C[5a]N[5a]H)(S[5a]C[5a]){1|H<1>,2|C<3>,3|C<4>}	O[5](B[5,5]N[5,5]C[5a]O[5])(C[5]C[5]O){1|S<2>,2|C<3>,2|C<4>,2|H<1>}	112.2020	1.913	2	112.2020	3.661	2	112.6944	2.178	10	112.6603	1.632	16	112.7093	2.118	18	113.2246	4.428	20
786	727	976	0:SP3_SP2_SP3	B[5,5]	C[5,6a]	O[5]	3:3:2:2:	4:3:3:	4:4:	C[5,6a]-3:C[5,6a]-3:O[5]-2:O[5]-2:	B[5,5]-4:C[5,6a]-3:C[6a]-3:	B[5,5]-4:Si[5]-4:	B[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]Si[5])2	C[5,6a](B[5,5]C[5,6a]O[5]2)(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	O[5](B[5,5]C[5,6a]2O[5])(Si[5]C[5,6a]CC)	B[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]Si[5])2{2|H<1>,4|C<3>,4|C<4>}	C[5,6a](B[5,5]C[5,6a]O[5]2)(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){1|Si<4>,1|F<1>,1|H<1>,2|C<4>,3|C<3>}	O[5](B[5,5]C[5,6a]2O[5])(Si[5]C[5,6a]CC){1|Si<4>,4|C<3>}	111.8215	0.575	2	111.8215	0.330	2	111.8215	0.330	2	111.8215	0.330	2	116.3237	5.958	22	115.4077	9.048	27
786	727	976	0:SP3_SP2_SP3	B[5,5]	C[5,6a]	O[5]	3:4:2:2:	3:4:3:	4:4:	C[5,6a]-3:C[5]-4:O[5]-2:O[5]-2:	C[5,6a]-3:B[5,5]-4:C[6a]-3:	B[5,5]-4:C[5]-4:	B[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]FF)(O[5]C[5])2	C[5,6a](C[5,6a]C[6a]N[5])(B[5,5]C[5]O[5]2)(C[6a]C[6a]H)	O[5](B[5,5]C[5,6a]C[5]O[5])(C[5]C[5]CC)	B[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]FF)(O[5]C[5])2{1|H<1>,2|C<3>,6|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(B[5,5]C[5]O[5]2)(C[6a]C[6a]H){1|C<3>,2|F<1>,2|H<1>,4|C<4>}	O[5](B[5,5]C[5,6a]C[5]O[5])(C[5]C[5]CC){1|N<4>,2|C<3>,2|C<4>,2|F<1>}	115.4295	4.704	2	115.4295	22.131	2	115.4295	22.131	2	116.7739	4.220	20	116.3237	5.958	22	115.4077	9.048	27
786	727	976	0:SP3_SP2_SP3	B[5,5]	C[5,6a]	O[5]	3:4:2:2:	3:4:3:	4:4:	C[5,6a]-3:N[3x5]-4:O[5]-2:O-2:	C[5,6a]-3:B[5,5]-4:C[6a]-3:	B[5,5]-4:C[5]-4:	B[5,5](C[5,6a]C[5,6a]C[6a])(N[3x5]C[5,5]2H)(O[5]C[5])(OH)	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5,5]N[3x5]O[5]O)(C[6a]C[6a]H)	O[5](B[5,5]C[5,6a]N[3x5]O)(C[5]C[5,5]HH)	B[5,5](C[5,6a]C[5,6a]C[6a])(N[3x5]C[5,5]2H)(O[5]C[5])(OH){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5,5]N[3x5]O[5]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O[5](B[5,5]C[5,6a]N[3x5]O)(C[5]C[5,5]HH){1|H<1>,2|C<3>,3|C<4>}	113.4390	0.000	1	115.5405	8.833	2	115.5405	8.833	2	116.7739	4.220	20	116.3237	5.958	22	115.4077	9.048	27
786	727	976	0:SP3_SP2_SP3	B[5,5]	C[5,6a]	O[5]	3:4:2:2:	3:4:3:	4:4:	C[5,6a]-3:N[3x5]-4:O[5]-2:O-2:	C[5,6a]-3:B[5,5]-4:C[6a]-3:	B[5,5]-4:C[5]-4:	B[5,5](C[5,6a]C[5,6a]C[6a])(N[3x5]C[5,5]2H)(O[5]C[5])(OH)	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5,5]N[3x5]O[5]O)(C[6a]C[6a]H)	O[5](B[5,5]C[5,6a]N[3x5]O)(C[5]C[5,5]HH)	B[5,5](C[5,6a]C[5,6a]C[6a])(N[3x5]C[5,5]2H)(O[5]C[5])(OH){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5,5]N[3x5]O[5]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	O[5](B[5,5]C[5,6a]N[3x5]O)(C[5]C[5,5]HH){1|H<1>,2|C<3>,3|C<4>}	117.6420	0.000	1	115.5405	8.833	2	115.5405	8.833	2	116.7739	4.220	20	116.3237	5.958	22	115.4077	9.048	27
786	727	976	0:SP3_SP2_SP3	B[5,5]	C[5,6a]	O[5]	3:4:2:2:	3:4:3:	4:4:	C[5,6a]-3:N[5,5]-4:O[5]-2:O[5]-2:	C[5,6a]-3:B[5,5]-4:C[6a]-3:	B[5,5]-4:C[5,6,6]-4:	B[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]N[5]H)(O[5]C[5,6,6])2	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5,5]N[5,5]O[5]2)(C[6a]C[6a]H)	O[5](B[5,5]C[5,6a]N[5,5]O[5])(C[5,6,6]C[5,6,6]C[6,6]H)	B[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]N[5]H)(O[5]C[5,6,6])2{1|N<3>,2|H<1>,3|C<3>,5|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5,5]N[5,5]O[5]2)(C[6a]C[6a]H){1|C<3>,2|N<3>,3|C<4>,3|H<1>}	O[5](B[5,5]C[5,6a]N[5,5]O[5])(C[5,6,6]C[5,6,6]C[6,6]H){1|N<3>,2|C<3>,3|H<1>,4|C<4>}	119.3005	1.674	2	119.3005	2.801	2	119.3005	2.801	2	116.7739	4.220	20	116.3237	5.958	22	115.4077	9.048	27
786	727	976	0:SP3_SP2_SP3	B[5,5]	C[5,6a]	O[5]	3:4:2:2:	3:4:3:	4:4:	C[5,6a]-3:N[5,5]-4:O[5]-2:O[5]-2:	C[5,6a]-3:B[5,5]-4:C[6a]-3:	B[5,5]-4:C[5]-4:	B[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5]H)(O[5]C[5])2	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5,5]N[5,5]O[5]2)(C[6a]C[6a]H)	O[5](B[5,5]C[5,6a]N[5,5]O[5])(C[5]C[5]CC)	B[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5]H)(O[5]C[5])2{1|N<3>,2|C<3>,4|H<1>,5|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5,5]N[5,5]O[5]2)(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,4|H<1>}	O[5](B[5,5]C[5,6a]N[5,5]O[5])(C[5]C[5]CC){1|H<1>,2|C<3>,4|C<4>}	117.0171	1.331	8	117.0171	1.770	8	117.0171	1.770	8	116.7739	4.220	20	116.3237	5.958	22	115.4077	9.048	27
786	727	976	0:SP3_SP2_SP3	B[5,5]	C[5,6a]	O[5]	3:4:2:2:	3:4:3:	4:4:	C[5,6a]-3:N[5,5]-4:O[5]-2:O[5]-2:	C[5,6a]-3:B[5,5]-4:C[6a]-3:	C[5,6,6]-4:B[5,5]-4:	B[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]N[5]H)(O[5]C[5,6,6])2	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5,5]N[5,5]O[5]2)(C[6a]C[6a]H)	O[5](C[5,6,6]C[4,6,6]C[5,6,6]C)(B[5,5]C[5,6a]N[5,5]O[5])	B[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]N[5]H)(O[5]C[5,6,6])2{1|N<3>,2|H<1>,3|C<3>,5|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5,5]N[5,5]O[5]2)(C[6a]C[6a]H){1|C<3>,2|N<3>,3|C<4>,3|H<1>}	O[5](C[5,6,6]C[4,6,6]C[5,6,6]C)(B[5,5]C[5,6a]N[5,5]O[5]){1|N<3>,2|C<3>,3|H<1>,4|C<4>}	117.8130	0.553	2	117.8130	0.306	2	117.8130	0.306	2	116.7739	4.220	20	116.3237	5.958	22	115.4077	9.048	27
786	727	976	0:SP3_SP2_SP3	B[5,5]	C[5,6a]	O[5]	3:4:2:2:	3:4:3:	4:4:	C[5,6a]-3:N[5]-4:O[5]-2:O[5]-2:	C[5,6a]-3:B[5,5]-4:C[6a]-3:	B[5,5]-4:C[5]-4:	B[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(O[5]C[5])2	C[5,6a](C[5,6a]C[6a]C[5])(B[5,5]N[5]O[5]2)(C[6a]C[6a]H)	O[5](B[5,5]C[5,6a]N[5]O[5])(C[5]C[5]CC)	B[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(O[5]C[5])2{2|C<3>,3|H<1>,4|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(B[5,5]N[5]O[5]2)(C[6a]C[6a]H){2|C<3>,3|H<1>,4|C<4>}	O[5](B[5,5]C[5,6a]N[5]O[5])(C[5]C[5]CC){2|C<3>,5|C<4>}	117.1470	0.325	2	117.1470	0.106	2	115.7935	2.608	4	116.7739	4.220	20	116.3237	5.958	22	115.4077	9.048	27
786	727	976	0:SP3_SP2_SP3	B[5,5]	C[5,6a]	O[5]	3:4:2:2:	3:4:3:	4:4:	C[5,6a]-3:N[5]-4:O[5]-2:O[5]-2:	C[5,6a]-3:B[5,5]-4:C[6a]-3:	B[5,5]-4:C[5]-4:	B[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(O[5]Si[5])(O[5]C[5])	C[5,6a](C[5,6a]C[6a]Si[5])(B[5,5]N[5]O[5]2)(C[6a]C[6a]H)	O[5](B[5,5]C[5,6a]N[5]O[5])(C[5]C[5]HH)	B[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(O[5]Si[5])(O[5]C[5]){2|C<3>,2|C<4>,5|H<1>}	C[5,6a](C[5,6a]C[6a]Si[5])(B[5,5]N[5]O[5]2)(C[6a]C[6a]H){1|C<3>,2|H<1>,6|C<4>}	O[5](B[5,5]C[5,6a]N[5]O[5])(C[5]C[5]HH){1|Si<4>,2|C<3>,2|C<4>,2|H<1>}	114.4400	0.624	2	114.4400	0.389	2	115.7935	2.608	4	116.7739	4.220	20	116.3237	5.958	22	115.4077	9.048	27
786	727	976	0:SP3_SP2_SP3	B[5,5]	C[5a]	O[5]	4:3:2:2:	4:3:3:	4:4:	N[5,5]-4:C[5a]-3:O[5]-2:O[5]-2:	B[5,5]-4:C[5a]-3:C[5a]-3:	B[5,5]-4:C[5]-4:	B[5,5](N[5,5]C[5]2C)(C[5a]C[5a]2)(O[5]C[5])2	C[5a](B[5,5]N[5,5]O[5]2)(C[5a]S[5a]Si)(C[5a]C[5a]H)	O[5](B[5,5]N[5,5]C[5a]O[5])(C[5]C[5]HH)	B[5,5](N[5,5]C[5]2C)(C[5a]C[5a]2)(O[5]C[5])2{1|Si<4>,1|C<3>,1|S<2>,9|H<1>}	C[5a](B[5,5]N[5,5]O[5]2)(C[5a]S[5a]Si)(C[5a]C[5a]H){1|H<1>,5|C<4>}	O[5](B[5,5]N[5,5]C[5a]O[5])(C[5]C[5]HH){2|C<3>,2|H<1>,3|C<4>}	112.2165	0.715	2	112.2165	0.511	2	112.2165	0.511	2	112.2165	0.511	2	112.2165	0.511	2	115.4077	9.048	27
786	727	976	0:SP3_SP2_SP3	B[5]	C[5a]	O[5]	3:3:4:2:	4:3:2:	4:4:	C[5a]-3:C[5a]-3:N[5]-4:O[5]-2:	B[5]-4:C[5a]-3:S[5a]-2:	B[5]-4:C[5]-4:	B[5](C[5a]C[5a]S[5a])2(N[5]C[5]HH)(O[5]C[5])	C[5a](B[5]C[5a]N[5]O[5])(C[5a]C[5a]H)(S[5a]C[5a])	O[5](B[5]C[5a]2N[5])(C[5]C[5]HH)	B[5](C[5a]C[5a]S[5a])2(N[5]C[5]HH)(O[5]C[5]){4|C<3>,6|H<1>}	C[5a](B[5]C[5a]N[5]O[5])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,1|S<2>,2|C<4>,4|H<1>}	O[5](B[5]C[5a]2N[5])(C[5]C[5]HH){2|C<3>,2|S<2>,4|H<1>}	111.1500	2.638	2	111.1500	6.956	2	111.1500	6.956	2	110.8183	3.808	3	110.8183	3.808	3	115.4077	9.048	27
786	727	976	0:SP3_SP2_SP3	B[5]	C[5a]	O[5]	3:3:4:2:	4:3:2:	4:4:	C[5a]-3:C[6a]-3:N[5]-4:O[5]-2:	B[5]-4:C[5a]-3:S[5a]-2:	B[5]-4:C[5]-4:	B[5](C[5a]C[5a]S[5a])(C[6a]C[6a]2)(N[5]C[5]HH)(O[5]C[5])	C[5a](B[5]C[6a]N[5]O[5])(C[5a]C[5a]H)(S[5a]C[5a])	O[5](B[5]C[5a]C[6a]N[5])(C[5]C[5]HH)	B[5](C[5a]C[5a]S[5a])(C[6a]C[6a]2)(N[5]C[5]HH)(O[5]C[5]){4|C<3>,7|H<1>}	C[5a](B[5]C[6a]N[5]O[5])(C[5a]C[5a]H)(S[5a]C[5a]){1|B<4>,2|C<3>,2|C<4>,3|H<1>}	O[5](B[5]C[5a]C[6a]N[5])(C[5]C[5]HH){1|S<2>,3|C<3>,4|H<1>}	110.1550	0.000	1	110.1550	0.000	1	110.1550	0.000	1	110.8183	3.808	3	110.8183	3.808	3	115.4077	9.048	27
786	727	976	5:SP3_SP2_SP2	B[5,6]	C[5,6a]	O[5]	3:3:2:2:	4:3:3:	4:3:	C[5,6a]-3:N[5a,6]-3:O[6]-2:O[5]-2:	B[5,6]-4:C[5,6a]-3:C[6a]-3:	B[5,6]-4:B[5]-3:	B[5,6](C[5,6a]C[5,6a]C[6a])(N[5a,6]C[5a,6]2)(O[6]C[6,6a])(O[5]B[5])	C[5,6a](B[5,6]N[5a,6]O[5]O[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	O[5](B[5,6]C[5,6a]N[5a,6]O[6])(B[5]C[5,6a]O)	B[5,6](C[5,6a]C[5,6a]C[6a])(N[5a,6]C[5a,6]2)(O[6]C[6,6a])(O[5]B[5]){1|H<1>,1|N<3>,1|O<2>,6|C<3>}	C[5,6a](B[5,6]N[5a,6]O[5]O[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	O[5](B[5,6]C[5,6a]N[5a,6]O[6])(B[5]C[5,6a]O){5|C<3>}	103.8630	0.007	2	103.8630	0.000	2	103.8630	0.000	2	103.8630	0.000	2	103.8630	0.000	2	99.4788	11.412	9
786	727	976	5:SP3_SP2_SP2	B[5]	C[5,5a]	O[5]	3:2:1:1:	3:3:4:	4:3:	C[5,5a]-3:O[5]-2:F-1:F-1:	N[5,5a]-3:C[5a]-3:B[5]-4:	B[5]-4:C[5]-3:	B[5](C[5,5a]N[5,5a]C[5a])(O[5]C[5])(F)2	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(B[5]O[5]FF)	O[5](B[5]C[5,5a]FF)(C[5]N[5,5a]O)	B[5](C[5,5a]N[5,5a]C[5a])(O[5]C[5])(F)2{1|C<4>,1|O<1>,2|C<3>}	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(B[5]O[5]FF){1|O<1>,2|C<3>}	O[5](B[5]C[5,5a]FF)(C[5]N[5,5a]O){2|C<3>}	99.6416	0.451	2	99.6416	0.203	2	99.6416	0.203	2	99.6416	0.203	2	99.6416	0.203	2	99.4788	11.412	9
786	727	976	5:SP3_SP2_SP2	B[5]	C[5,6a]	O[5]	3:2:3:2:	3:3:4:	4:3:	C[5,6a]-3:O[5]-2:O-3:O-2:	C[5,6a]-3:C[6a]-3:B[5]-4:	B[5]-4:B[5]-3:	B[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(OHH)(OH)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]F)(B[5]O[5]OO)	O[5](B[5]C[5,6a]OO)(B[5]C[5,6a]O)	B[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(OHH)(OH){1|F<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]F)(B[5]O[5]OO){1|C<3>,1|O<2>,2|F<1>}	O[5](B[5]C[5,6a]OO)(B[5]C[5,6a]O){2|C<3>}	103.0290	0.000	1	103.0290	0.000	1	103.0290	0.000	1	103.0290	0.000	1	97.6600	9.013	5	99.4788	11.412	9
786	727	976	5:SP3_SP2_SP2	B[5]	C[5,6a]	O[5]	3:3:3:2:	3:4:3:	4:3:	C[5,6a]-3:C[6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:B[5]-4:C[6a]-3:	B[5]-4:C[5]-3:	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(O[5]C[5])	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2O[5])(C[6a]C[6a]H)	O[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]C)	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(O[5]C[5]){1|H<1>,5|C<4>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2O[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	O[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]C){6|C<3>}	96.2669	0.000	1	96.2669	0.000	1	96.3177	0.007	4	96.3177	0.007	4	97.6600	9.013	5	99.4788	11.412	9
786	727	976	5:SP3_SP2_SP2	B[5]	C[5,6a]	O[5]	3:3:3:2:	3:4:3:	4:3:	C[5,6a]-3:C[6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:B[5]-4:C[6a]-3:	B[5]-4:C[5]-3:	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(O[5]C[5])	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2O[5])(C[6a]C[6a]H)	O[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]H)	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(O[5]C[5]){2|H<1>,4|C<4>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2O[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	O[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]H){6|C<3>}	96.3347	0.092	3	96.3347	0.008	3	96.3177	0.007	4	96.3177	0.007	4	97.6600	9.013	5	99.4788	11.412	9
786	727	976	5:SP3_SP2_SP3	B[5,5]	C[5,6a]	O[5]	3:3:2:2:	4:3:3:	4:4:	C[5,6a]-3:C[5,6a]-3:O[5]-2:O[5]-2:	B[5,5]-4:C[5,6a]-3:C[6a]-3:	B[5,5]-4:Si[5]-4:	B[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]Si[5])2	C[5,6a](B[5,5]C[5,6a]O[5]2)(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	O[5](B[5,5]C[5,6a]2O[5])(Si[5]C[5,6a]CC)	B[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]Si[5])2{2|H<1>,4|C<3>,4|C<4>}	C[5,6a](B[5,5]C[5,6a]O[5]2)(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){1|Si<4>,1|F<1>,1|H<1>,2|C<4>,3|C<3>}	O[5](B[5,5]C[5,6a]2O[5])(Si[5]C[5,6a]CC){1|Si<4>,4|C<3>}	103.8600	0.068	2	103.8600	0.005	2	103.8600	0.005	2	103.8600	0.005	2	105.9712	5.947	4	103.6807	4.795	12
786	727	976	5:SP3_SP2_SP3	B[5,5]	C[5,6a]	O[5]	3:4:2:2:	3:4:3:	4:4:	C[5,6a]-3:N[5]-4:O[5]-2:O[5]-2:	C[5,6a]-3:B[5,5]-4:C[6a]-3:	B[5,5]-4:Si[5]-4:	B[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(O[5]Si[5])(O[5]C[5])	C[5,6a](C[5,6a]C[6a]Si[5])(B[5,5]N[5]O[5]2)(C[6a]C[6a]H)	O[5](B[5,5]C[5,6a]N[5]O[5])(Si[5]C[5,6a]CC)	B[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(O[5]Si[5])(O[5]C[5]){2|C<3>,2|C<4>,5|H<1>}	C[5,6a](C[5,6a]C[6a]Si[5])(B[5,5]N[5]O[5]2)(C[6a]C[6a]H){1|C<3>,2|H<1>,6|C<4>}	O[5](B[5,5]C[5,6a]N[5]O[5])(Si[5]C[5,6a]CC){2|C<3>,4|C<4>}	108.0825	0.078	2	108.0825	0.006	2	108.0825	0.006	2	108.0825	0.006	2	105.9712	5.947	4	103.6807	4.795	12
786	727	976	5:SP3_SP2_SP3	B[5]	C[5,6a]	O[5]	3:2:1:1:	3:3:4:	4:4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:B[5]-4:	B[5]-4:P[5]-4:	B[5](C[5,6a]C[5,6a]C[6a])(O[5]P[5])(H)2	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(B[5]O[5]HH)	O[5](B[5]C[5,6a]HH)(P[5]C[5,6a]CC)	B[5](C[5,6a]C[5,6a]C[6a])(O[5]P[5])(H)2{1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(B[5]O[5]HH){1|C<3>,2|C<4>,2|H<1>}	O[5](B[5]C[5,6a]HH)(P[5]C[5,6a]CC){2|C<3>}	102.6900	0.000	1	102.6900	0.000	1	102.6900	0.000	1	102.6900	0.000	1	102.5354	0.490	8	103.6807	4.795	12
786	727	976	5:SP3_SP2_SP3	B[5]	C[5,6a]	O[5]	3:2:2:2:	3:3:4:	4:4:	C[5,6a]-3:O[5]-2:O-2:O-2:	C[5,6a]-3:C[6a]-3:B[5]-4:	B[5]-4:C[5]-4:	B[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OH)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(B[5]O[5]OO)	O[5](B[5]C[5,6a]OO)(C[5]C[5,6a]HH)	B[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OH)2{2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(B[5]O[5]OO){1|C<3>,4|H<1>}	O[5](B[5]C[5,6a]OO)(C[5]C[5,6a]HH){2|C<3>}	101.5890	0.000	1	101.5890	0.000	1	101.5890	0.000	1	101.5890	0.000	1	102.5354	0.490	8	103.6807	4.795	12
786	727	976	5:SP3_SP2_SP3	B[5]	C[5,6a]	O[5]	3:3:2:1:	3:4:3:	4:4:	C[5,6a]-3:C[6a]-3:O[5]-2:F-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	B[5]-4:P[5]-4:	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]P[5])(F)	C[5,6a](C[5,6a]C[6a]P[5])(B[5]C[6a]O[5]F)(C[6a]C[6a]F)	O[5](B[5]C[5,6a]C[6a]F)(P[5]C[5,6a]C[6a]2)	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]P[5])(F){3|F<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(B[5]C[6a]O[5]F)(C[6a]C[6a]F){2|F<1>,5|C<3>}	O[5](B[5]C[5,6a]C[6a]F)(P[5]C[5,6a]C[6a]2){8|C<3>}	101.5530	0.000	1	101.5530	0.000	1	101.5530	0.000	1	102.3127	0.460	3	102.5354	0.490	8	103.6807	4.795	12
786	727	976	5:SP3_SP2_SP3	B[5]	C[5,6a]	O[5]	3:3:2:1:	3:4:3:	4:4:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	B[5]-4:P[5]-4:	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]P[5])(H)	C[5,6a](C[5,6a]C[6a]P[5])(B[5]C[6a]O[5]H)(C[6a]C[6a]H)	O[5](B[5]C[5,6a]C[6a]H)(P[5]C[5,6a]CC)	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]P[5])(H){1|H<1>,2|C<4>,2|F<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(B[5]C[6a]O[5]H)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	O[5](B[5]C[5,6a]C[6a]H)(P[5]C[5,6a]CC){4|C<3>}	102.6925	0.231	2	102.6925	0.053	2	102.6925	0.053	2	102.3127	0.460	3	102.5354	0.490	8	103.6807	4.795	12
786	727	976	5:SP3_SP2_SP3	B[5]	C[5,6a]	O[5]	3:3:3:2:	3:4:3:	4:4:	C[5,6a]-3:C[6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:B[5]-4:C[6a]-3:	B[5]-4:P[5]-4:	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(O[5]P[5])	C[5,6a](C[5,6a]C[6a]P[5])(B[5]C[6a]2O[5])(C[6a]C[6a]H)	O[5](B[5]C[5,6a]C[6a]2)(P[5]C[5,6a]CC)	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(O[5]P[5]){1|H<1>,2|C<4>,4|F<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(B[5]C[6a]2O[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	O[5](B[5]C[5,6a]C[6a]2)(P[5]C[5,6a]CC){6|C<3>}	102.3330	0.000	1	102.3330	0.000	1	102.3330	0.000	1	103.0220	0.366	3	102.5354	0.490	8	103.6807	4.795	12
786	727	976	5:SP3_SP2_SP3	B[5]	C[5,6a]	O[5]	3:3:3:2:	3:4:3:	4:4:	C[5,6a]-3:C[6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:B[5]-4:C[6a]-3:	B[5]-4:Si[5]-4:	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(O[5]Si[5])	C[5,6a](C[5,6a]C[6a]Si[5])(B[5]C[6a]2O[5])(C[6a]C[6a]H)	O[5](B[5]C[5,6a]C[6a]2)(Si[5]C[5,6a]CC)	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(O[5]Si[5]){1|H<1>,6|C<3>,6|C<4>}	C[5,6a](C[5,6a]C[6a]Si[5])(B[5]C[6a]2O[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	O[5](B[5]C[5,6a]C[6a]2)(Si[5]C[5,6a]CC){6|C<3>}	103.3665	0.139	2	103.3665	0.019	2	103.3665	0.019	2	103.0220	0.366	3	102.5354	0.490	8	103.6807	4.795	12
786	727	992	0:SP3_SP2_SP3	B[5]	C[5,6a]	P	3:3:4:1:	3:4:3:	4:4:4:1:	C[5,6a]-3:C[5,6a]-3:P-4:H-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	B[5]-4:C-4:C-4:H-1:	B[5](C[5,6a]C[5,6a]C[6a])2(PCCH)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]HP)(C[6a]C[6a]H)	P(B[5]C[5,6a]2H)(CC3)2(H)	B[5](C[5,6a]C[5,6a]C[6a])2(PCCH)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]HP)(C[6a]C[6a]H){2|H<1>,3|C<3>}	P(B[5]C[5,6a]2H)(CC3)2(H)	112.8630	6.367	2	112.8630	40.536	2	112.8630	40.536	2	112.8630	40.536	2	112.4050	32.497	4	112.4050	32.497	4
786	727	992	0:SP3_SP2_SP3	B[5]	C[5,6a]	P	3:3:4:4:	3:3:4:	4:4:4:4:	C[5,6a]-3:B[5]-3:P-4:P-4:	C[5,6a,6a]-3:C[6a,6a]-3:B[5]-4:	B[5]-4:C-4:C-4:C-4:	B[5](C[5,6a]C[5,6a,6a]C[6a,6a])(B[5]C[5,6a]C[6a])(PC3)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(B[5]B[5]PP)	P(B[5]C[5,6a]B[5]P)(CH3)3	B[5](C[5,6a]C[5,6a,6a]C[6a,6a])(B[5]C[5,6a]C[6a])(PC3)2{6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(B[5]B[5]PP){1|H<1>,6|C<3>}	P(B[5]C[5,6a]B[5]P)(CH3)3	111.9470	7.491	2	111.9470	56.116	2	111.9470	56.116	2	111.9470	56.116	2	112.4050	32.497	4	112.4050	32.497	4
786	727	999	0:SP3_SP2_SP3	B[5,5]	C[5,6a]	N[5]	3:3:3:4:	3:4:3:	4:4:4:4:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:N[5]-4:	C[5,6a]-3:B[5,5]-4:C[6a]-3:	B[5,5]-4:C[5]-4:C-4:C-4:	B[5,5](C[5,6a]C[5,6a]C[6a])3(N[5]C[5]CC)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5,5]C[5,6a]2N[5])(C[6a]C[6a]H)	N[5](B[5,5]C[5,6a]3)(C[5]C[5,6a]HH)(CH3)2	B[5,5](C[5,6a]C[5,6a]C[6a])3(N[5]C[5]CC){1|C<4>,4|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5,5]C[5,6a]2N[5])(C[6a]C[6a]H){2|H<1>,3|C<4>,5|C<3>}	N[5](B[5,5]C[5,6a]3)(C[5]C[5,6a]HH)(CH3)2{6|C<3>}	107.1375	0.548	2	107.1375	0.300	2	107.1375	0.300	2	107.1375	0.300	2	111.4488	24.906	4	113.7644	14.851	16
786	727	999	0:SP3_SP2_SP3	B[5,5]	C[5,6a]	N[5]	3:4:2:2:	3:4:3:	4:4:4:4:	C[5,6a]-3:N[5]-4:O[5]-2:O[5]-2:	C[5,6a]-3:B[5,5]-4:C[6a]-3:	B[5,5]-4:C[5]-4:C-4:C-4:	B[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(O[5]Si[5])(O[5]C[5])	C[5,6a](C[5,6a]C[6a]Si[5])(B[5,5]N[5]O[5]2)(C[6a]C[6a]H)	N[5](B[5,5]C[5,6a]O[5]2)(C[5]C[5]HH)(CH3)2	B[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(O[5]Si[5])(O[5]C[5]){2|C<3>,2|C<4>,5|H<1>}	C[5,6a](C[5,6a]C[6a]Si[5])(B[5,5]N[5]O[5]2)(C[6a]C[6a]H){1|C<3>,2|H<1>,6|C<4>}	N[5](B[5,5]C[5,6a]O[5]2)(C[5]C[5]HH)(CH3)2{1|Si<4>,2|C<3>,2|H<1>}	115.7600	0.264	2	115.7600	0.070	2	115.7600	0.070	2	115.7600	0.070	2	111.4488	24.906	4	113.7644	14.851	16
786	727	999	0:SP3_SP2_SP3	B[5,5]	C[5a]	N[5,5]	3:4:2:2:	3:4:3:	4:4:4:4:	C[5a]-3:N[5,5]-4:O[5]-2:O[5]-2:	C[5a,6a]-3:B[5,5]-4:C[5a]-3:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	B[5,5](C[5a]C[5a,6a]C[5a])(N[5,5]C[5]2C)(O[5]C[5])2	C[5a](C[5a,6a]C[5a,6a]C[6a])(B[5,5]N[5,5]O[5]2)(C[5a]C[6a]O[5a])	N[5,5](B[5,5]C[5a]O[5]2)(C[5]C[5]HH)2(CH3)	B[5,5](C[5a]C[5a,6a]C[5a])(N[5,5]C[5]2C)(O[5]C[5])2{1|O<2>,2|O<1>,3|C<3>,4|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(B[5,5]N[5,5]O[5]2)(C[5a]C[6a]O[5a]){1|H<1>,3|C<4>,6|C<3>}	N[5,5](B[5,5]C[5a]O[5]2)(C[5]C[5]HH)2(CH3){2|C<3>,2|O<1>}	116.3090	0.000	1	116.3090	0.000	1	116.3090	0.000	1	116.3090	0.000	1	116.2126	1.133	9	113.7644	14.851	16
786	727	999	0:SP3_SP2_SP3	B[5,5]	C[5a]	N[5,5]	3:4:2:2:	4:3:2:	4:4:4:4:	C[5a]-3:N[5,5]-4:O[5]-2:O[5]-2:	B[5,5]-4:C[5a]-3:N[5a]-2:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	B[5,5](C[5a]C[5a]N[5a])(N[5,5]C[5]2C)(O[5]C[5])2	C[5a](B[5,5]N[5,5]O[5]2)(C[5a]C[5a]H)(N[5a]N[5a])	N[5,5](B[5,5]C[5a]O[5]2)(C[5]C[5]HH)2(CH3)	B[5,5](C[5a]C[5a]N[5a])(N[5,5]C[5]2C)(O[5]C[5])2{1|C<3>,1|N<3>,2|O<1>,5|H<1>}	C[5a](B[5,5]N[5,5]O[5]2)(C[5a]C[5a]H)(N[5a]N[5a]){3|C<3>,4|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>}	115.9990	0.000	1	115.9990	0.000	1	116.0473	0.008	3	116.4750	0.806	7	116.2126	1.133	9	113.7644	14.851	16
786	727	999	0:SP3_SP2_SP3	B[5,5]	C[5a]	N[5,5]	3:4:2:2:	4:3:2:	4:4:4:4:	C[5a]-3:N[5,5]-4:O[5]-2:O[5]-2:	B[5,5]-4:C[5a]-3:N[5a]-2:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	B[5,5](C[5a]C[5a]N[5a])(N[5,5]C[5]2C)(O[5]C[5])2	C[5a](B[5,5]N[5,5]O[5]2)(C[5a]S[5a]H)(N[5a]C[5a])	N[5,5](B[5,5]C[5a]O[5]2)(C[5]C[5]HH)2(CH3)	B[5,5](C[5a]C[5a]N[5a])(N[5,5]C[5]2C)(O[5]C[5])2{1|C<3>,1|S<2>,2|O<1>,5|H<1>}	C[5a](B[5,5]N[5,5]O[5]2)(C[5a]S[5a]H)(N[5a]C[5a]){1|N<3>,2|C<3>,3|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>}	116.0715	0.114	2	116.0715	0.013	2	116.0473	0.008	3	116.4750	0.806	7	116.2126	1.133	9	113.7644	14.851	16
786	727	999	0:SP3_SP2_SP3	B[5,5]	C[5a]	N[5,5]	3:4:2:2:	4:3:2:	4:4:4:4:	C[5a]-3:N[5,5]-4:O[5]-2:O[5]-2:	B[5,5]-4:C[5a]-3:S[5a]-2:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	B[5,5](C[5a]C[5a]S[5a])(N[5,5]C[5]2C)(O[5]C[5])2	C[5a](B[5,5]N[5,5]O[5]2)(C[5a]C[5a]C)(S[5a]C[5a])	N[5,5](B[5,5]C[5a]O[5]2)(C[5]C[5]HH)2(CH3)	B[5,5](C[5a]C[5a]S[5a])(N[5,5]C[5]2C)(O[5]C[5])2{1|C<4>,2|C<3>,2|O<1>,4|H<1>}	C[5a](B[5,5]N[5,5]O[5]2)(C[5a]C[5a]C)(S[5a]C[5a]){1|H<1>,3|C<3>,3|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>}	115.3770	0.000	1	115.3770	0.000	1	116.7957	1.286	4	116.4750	0.806	7	116.2126	1.133	9	113.7644	14.851	16
786	727	999	0:SP3_SP2_SP3	B[5,5]	C[5a]	N[5,5]	3:4:2:2:	4:3:2:	4:4:4:4:	C[5a]-3:N[5,5]-4:O[5]-2:O[5]-2:	B[5,5]-4:C[5a]-3:S[5a]-2:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	B[5,5](C[5a]C[5a]S[5a])(N[5,5]C[5]2C)(O[5]C[5])2	C[5a](B[5,5]N[5,5]O[5]2)(C[5a]C[5a]H)(S[5a]C[5a])	N[5,5](B[5,5]C[5a]O[5]2)(C[5]C[5]HH)2(CH3)	B[5,5](C[5a]C[5a]S[5a])(N[5,5]C[5]2C)(O[5]C[5])2{2|C<3>,2|O<1>,5|H<1>}	C[5a](B[5,5]N[5,5]O[5]2)(C[5a]C[5a]H)(S[5a]C[5a]){1|Br<1>,2|C<3>,4|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>}	117.7075	0.136	2	117.7075	0.019	2	116.7957	1.286	4	116.4750	0.806	7	116.2126	1.133	9	113.7644	14.851	16
786	727	999	0:SP3_SP2_SP3	B[5,5]	C[5a]	N[5,5]	3:4:2:2:	4:3:2:	4:4:4:4:	C[5a]-3:N[5,5]-4:O[5]-2:O[5]-2:	B[5,5]-4:C[5a]-3:S[5a]-2:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	B[5,5](C[5a]C[5a]S[5a])(N[5,5]C[5]2C)(O[5]C[5])2	C[5a](B[5,5]N[5,5]O[5]2)(C[5a]N[5a]H)(S[5a]C[5a])	N[5,5](B[5,5]C[5a]O[5]2)(C[5]C[5]HH)2(CH3)	B[5,5](C[5a]C[5a]S[5a])(N[5,5]C[5]2C)(O[5]C[5])2{1|C<3>,1|N<2>,2|O<1>,5|H<1>}	C[5a](B[5,5]N[5,5]O[5]2)(C[5a]N[5a]H)(S[5a]C[5a]){1|H<1>,2|C<3>,3|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>}	116.3910	0.000	1	116.3910	0.000	1	116.7957	1.286	4	116.4750	0.806	7	116.2126	1.133	9	113.7644	14.851	16
786	727	999	0:SP3_SP2_SP3	B[5,5]	C[5a]	N[5,5]	4:3:2:2:	4:3:3:	4:4:4:4:	N[5,5]-4:C[5a]-3:O[5]-2:O[5]-2:	B[5,5]-4:C[5a]-3:C[5a]-3:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	B[5,5](N[5,5]C[5]2C)(C[5a]C[5a]2)(O[5]C[5])2	C[5a](B[5,5]N[5,5]O[5]2)(C[5a]S[5a]Si)(C[5a]C[5a]H)	N[5,5](B[5,5]C[5a]O[5]2)(C[5]C[5]HH)2(CCHH)	B[5,5](N[5,5]C[5]2C)(C[5a]C[5a]2)(O[5]C[5])2{1|Si<4>,1|C<3>,1|S<2>,9|H<1>}	C[5a](B[5,5]N[5,5]O[5]2)(C[5a]S[5a]Si)(C[5a]C[5a]H){1|H<1>,5|C<4>}	N[5,5](B[5,5]C[5a]O[5]2)(C[5]C[5]HH)2(CCHH){2|C<3>,4|H<1>}	114.2790	0.000	1	114.2790	0.000	1	114.2790	0.000	1	114.2790	0.000	1	116.2126	1.133	9	113.7644	14.851	16
786	727	999	0:SP3_SP2_SP3	B[5]	C[5a]	N[5]	3:3:4:2:	4:3:2:	4:4:1:1:	C[5a]-3:C[5a]-3:N[5]-4:O[5]-2:	B[5]-4:C[5a]-3:S[5a]-2:	B[5]-4:C[5]-4:H-1:H-1:	B[5](C[5a]C[5a]S[5a])2(N[5]C[5]HH)(O[5]C[5])	C[5a](B[5]C[5a]N[5]O[5])(C[5a]C[5a]H)(S[5a]C[5a])	N[5](B[5]C[5a]2O[5])(C[5]C[5]HH)(H)2	B[5](C[5a]C[5a]S[5a])2(N[5]C[5]HH)(O[5]C[5]){4|C<3>,6|H<1>}	C[5a](B[5]C[5a]N[5]O[5])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,1|S<2>,2|C<4>,4|H<1>}	N[5](B[5]C[5a]2O[5])(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>,2|S<2>}	108.3810	1.270	2	108.3810	1.613	2	108.3810	1.613	2	109.5077	4.615	3	109.5077	4.615	3	113.7644	14.851	16
786	727	999	0:SP3_SP2_SP3	B[5]	C[5a]	N[5]	3:3:4:2:	4:3:2:	4:4:1:1:	C[5a]-3:C[6a]-3:N[5]-4:O[5]-2:	B[5]-4:C[5a]-3:S[5a]-2:	B[5]-4:C[5]-4:H-1:H-1:	B[5](C[5a]C[5a]S[5a])(C[6a]C[6a]2)(N[5]C[5]HH)(O[5]C[5])	C[5a](B[5]C[6a]N[5]O[5])(C[5a]C[5a]H)(S[5a]C[5a])	N[5](B[5]C[5a]C[6a]O[5])(C[5]C[5]HH)(H)2	B[5](C[5a]C[5a]S[5a])(C[6a]C[6a]2)(N[5]C[5]HH)(O[5]C[5]){4|C<3>,7|H<1>}	C[5a](B[5]C[6a]N[5]O[5])(C[5a]C[5a]H)(S[5a]C[5a]){1|B<4>,2|C<3>,2|C<4>,3|H<1>}	N[5](B[5]C[5a]C[6a]O[5])(C[5]C[5]HH)(H)2{1|S<2>,2|H<1>,3|C<3>}	111.7610	0.000	1	111.7610	0.000	1	111.7610	0.000	1	109.5077	4.615	3	109.5077	4.615	3	113.7644	14.851	16
786	727	999	5:SP3_SP2_SP3	B[5,5]	C[5,6a]	N[3x5]	3:4:2:2:	3:4:3:	4:4:4:1:	C[5,6a]-3:N[3x5]-4:O[5]-2:O-2:	C[5,6a]-3:B[5,5]-4:C[6a]-3:	B[5,5]-4:C[5,5]-4:C[5,5]-4:H-1:	B[5,5](C[5,6a]C[5,6a]C[6a])(N[3x5]C[5,5]2H)(O[5]C[5])(OH)	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5,5]N[3x5]O[5]O)(C[6a]C[6a]H)	N[3x5](B[5,5]C[5,6a]O[5]O)(C[5,5]C[5,6a]O[5]C)(C[5,5]C[5]2C)(H)	B[5,5](C[5,6a]C[5,6a]C[6a])(N[3x5]C[5,5]2H)(O[5]C[5])(OH){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5,5]N[3x5]O[5]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	N[3x5](B[5,5]C[5,6a]O[5]O)(C[5,5]C[5,6a]O[5]C)(C[5,5]C[5]2C)(H){2|C<3>,4|H<1>}	97.3909	0.000	1	97.3909	0.000	1	98.9711	1.355	4	98.9711	1.355	4	98.9711	1.355	4	97.2085	4.472	32
786	727	999	5:SP3_SP2_SP3	B[5,5]	C[5,6a]	N[3x5]	3:4:2:2:	3:4:3:	4:4:4:1:	C[5,6a]-3:N[3x5]-4:O[5]-2:O-2:	C[5,6a]-3:B[5,5]-4:C[6a]-3:	B[5,5]-4:C[5,5]-4:C[5,5]-4:H-1:	B[5,5](C[5,6a]C[5,6a]C[6a])(N[3x5]C[5,5]2H)(O[5]C[5])(OH)	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5,5]N[3x5]O[5]O)(C[6a]C[6a]H)	N[3x5](B[5,5]C[5,6a]O[5]O)(C[5,5]C[5,6a]O[5]H)(C[5,5]C[5]2C)(H)	B[5,5](C[5,6a]C[5,6a]C[6a])(N[3x5]C[5,5]2H)(O[5]C[5])(OH){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5,5]N[3x5]O[5]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	N[3x5](B[5,5]C[5,6a]O[5]O)(C[5,5]C[5,6a]O[5]H)(C[5,5]C[5]2C)(H){2|C<3>,4|H<1>}	98.8443	0.000	1	98.8443	0.000	1	98.9711	1.355	4	98.9711	1.355	4	98.9711	1.355	4	97.2085	4.472	32
786	727	999	5:SP3_SP2_SP3	B[5,5]	C[5,6a]	N[3x5]	3:4:2:2:	3:4:3:	4:4:4:1:	C[5,6a]-3:N[3x5]-4:O[5]-2:O-2:	C[5,6a]-3:B[5,5]-4:C[6a]-3:	B[5,5]-4:C[5,5]-4:C[5,5]-4:H-1:	B[5,5](C[5,6a]C[5,6a]C[6a])(N[3x5]C[5,5]2H)(O[5]C[5])(OH)	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5,5]N[3x5]O[5]O)(C[6a]C[6a]H)	N[3x5](B[5,5]C[5,6a]O[5]O)(C[5,5]C[5,6a]S[5]H)(C[5,5]C[5]2H)(H)	B[5,5](C[5,6a]C[5,6a]C[6a])(N[3x5]C[5,5]2H)(O[5]C[5])(OH){1|C<4>,1|O<1>,1|S<2>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5,5]N[3x5]O[5]O)(C[6a]C[6a]H){1|C<4>,1|S<2>,2|C<3>,4|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>}	99.8247	0.306	2	99.8247	0.094	2	98.9711	1.355	4	98.9711	1.355	4	98.9711	1.355	4	97.2085	4.472	32
786	727	999	5:SP3_SP2_SP3	B[5,5]	C[5,6a]	N[5,5]	3:4:2:2:	3:4:3:	4:4:3:1:	C[5,6a]-3:N[5,5]-4:O[5]-2:O[5]-2:	C[5,6a]-3:B[5,5]-4:C[6a]-3:	B[5,5]-4:C[5,5]-4:N[5]-3:H-1:	B[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]N[5]H)(O[5]C[5,6,6])2	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5,5]N[5,5]O[5]2)(C[6a]C[6a]H)	N[5,5](B[5,5]C[5,6a]O[5]2)(C[5,5]C[5,6a]N[5]C)(N[5]C[5]C)(H)	B[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]N[5]H)(O[5]C[5,6,6])2{1|N<3>,2|H<1>,3|C<3>,5|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5,5]N[5,5]O[5]2)(C[6a]C[6a]H){1|C<3>,2|N<3>,3|C<4>,3|H<1>}	N[5,5](B[5,5]C[5,6a]O[5]2)(C[5,5]C[5,6a]N[5]C)(N[5]C[5]C)(H){1|S<1>,2|C<4>,3|C<3>}	95.5861	0.060	2	95.5861	0.004	2	95.5861	0.004	2	95.5861	0.004	2	97.0938	1.168	8	97.2085	4.472	32
786	727	999	5:SP3_SP2_SP3	B[5,5]	C[5,6a]	N[5,5]	3:4:2:2:	3:4:3:	4:4:4:1:	C[5,6a]-3:N[5,5]-4:O[5]-2:O[5]-2:	C[5,6a]-3:B[5,5]-4:C[6a]-3:	B[5,5]-4:C[5,5]-4:C[5]-4:H-1:	B[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5]H)(O[5]C[5])2	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5,5]N[5,5]O[5]2)(C[6a]C[6a]H)	N[5,5](B[5,5]C[5,6a]O[5]2)(C[5,5]C[5,6a]N[5]H)(C[5]C[5]HH)(H)	B[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5]H)(O[5]C[5])2{1|N<3>,2|C<3>,4|H<1>,5|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5,5]N[5,5]O[5]2)(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,4|H<1>}	N[5,5](B[5,5]C[5,6a]O[5]2)(C[5,5]C[5,6a]N[5]H)(C[5]C[5]HH)(H){1|H<1>,2|C<3>,4|C<4>}	97.9167	0.000	1	97.7375	0.605	4	97.7375	0.605	4	97.7375	0.605	4	97.0938	1.168	8	97.2085	4.472	32
786	727	999	5:SP3_SP2_SP3	B[5,5]	C[5,6a]	N[5,5]	3:4:2:2:	3:4:3:	4:4:4:1:	C[5,6a]-3:N[5,5]-4:O[5]-2:O[5]-2:	C[5,6a]-3:B[5,5]-4:C[6a]-3:	B[5,5]-4:C[5,5]-4:C[5]-4:H-1:	B[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5]H)(O[5]C[5])2	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5,5]N[5,5]O[5]2)(C[6a]C[6a]H)	N[5,5](B[5,5]C[5,6a]O[5]2)(C[5,5]C[5,6a]N[5]H)(C[5]C[5]HH)(H)	B[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5]H)(O[5]C[5])2{1|N<3>,2|C<3>,4|H<1>,5|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5,5]N[5,5]O[5]2)(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,4|H<1>}	N[5,5](B[5,5]C[5,6a]O[5]2)(C[5,5]C[5,6a]N[5]H)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,3|H<1>}	98.2156	0.189	2	97.7375	0.605	4	97.7375	0.605	4	97.7375	0.605	4	97.0938	1.168	8	97.2085	4.472	32
786	727	999	5:SP3_SP2_SP3	B[5,5]	C[5,6a]	N[5,5]	3:4:2:2:	3:4:3:	4:4:4:1:	C[5,6a]-3:N[5,5]-4:O[5]-2:O[5]-2:	C[5,6a]-3:B[5,5]-4:C[6a]-3:	B[5,5]-4:C[5,5]-4:C[5]-4:H-1:	B[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5]H)(O[5]C[5])2	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5,5]N[5,5]O[5]2)(C[6a]C[6a]H)	N[5,5](B[5,5]C[5,6a]O[5]2)(C[5,5]C[5,6a]N[5]H)(C[5]C[5]HH)(H)	B[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5]H)(O[5]C[5])2{1|N<3>,2|C<3>,4|H<1>,5|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5,5]N[5,5]O[5]2)(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,4|H<1>}	N[5,5](B[5,5]C[5,6a]O[5]2)(C[5,5]C[5,6a]N[5]H)(C[5]C[5]HH)(H){2|C<4>,2|H<1>,3|C<3>}	96.6022	0.000	1	97.7375	0.605	4	97.7375	0.605	4	97.7375	0.605	4	97.0938	1.168	8	97.2085	4.472	32
786	727	999	5:SP3_SP2_SP3	B[5,5]	C[5,6a]	N[5,5]	3:4:4:1:	4:3:3:	4:4:4:4:	C[5,6a]-3:N[5,5]-4:C[5]-4:H-1:	B[5,5]-4:C[5,6a]-3:C[6a]-3:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	B[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2C)(C[5]C[5]CH)(H)	C[5,6a](B[5,5]N[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[5,5](B[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5]HH)(CCHH)	B[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2C)(C[5]C[5]CH)(H){2|C<3>,7|H<1>}	C[5,6a](B[5,5]N[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,4|C<4>,5|H<1>}	N[5,5](B[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5]HH)(CCHH){1|C<4>,2|C<3>,3|H<1>}	97.1397	0.000	1	97.1397	0.000	1	97.3143	0.061	2	97.3143	0.061	2	97.0938	1.168	8	97.2085	4.472	32
786	727	999	5:SP3_SP2_SP3	B[5,5]	C[5,6a]	N[5,5]	3:4:4:1:	4:3:3:	4:4:4:4:	C[5,6a]-3:N[5,5]-4:C[5]-4:H-1:	B[5,5]-4:C[5,6a]-3:C[6a]-3:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	B[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2C)(C[5]C[5]HH)(H)	C[5,6a](B[5,5]N[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[5,5](B[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5]HH)(CCHH)	B[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2C)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,5|H<1>}	C[5,6a](B[5,5]N[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,3|C<4>,6|H<1>}	N[5,5](B[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5]HH)(CCHH){2|C<3>,2|C<4>,2|H<1>}	97.4889	0.000	1	97.4889	0.000	1	97.3143	0.061	2	97.3143	0.061	2	97.0938	1.168	8	97.2085	4.472	32
786	727	999	5:SP3_SP2_SP3	B[5,5]	C[5,6a]	N[5]	3:3:3:4:	4:3:3:	4:4:4:4:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:N[5]-4:	B[5,5]-4:C[5,6a]-3:C[6a]-3:	B[5,5]-4:C[5]-4:C-4:C-4:	B[5,5](C[5,6a]C[5,6a]C[6a])3(N[5]C[5]CC)	C[5,6a](B[5,5]C[5,6a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	N[5](B[5,5]C[5,6a]3)(C[5]C[5,6a]HH)(CH3)2	B[5,5](C[5,6a]C[5,6a]C[6a])3(N[5]C[5]CC){1|C<4>,4|H<1>,6|C<3>}	C[5,6a](B[5,5]C[5,6a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){2|C<4>,4|H<1>,5|C<3>}	N[5](B[5,5]C[5,6a]3)(C[5]C[5,6a]HH)(CH3)2{6|C<3>}	97.7066	0.000	1	97.7066	0.000	1	97.7066	0.000	1	97.7066	0.000	1	96.6408	2.272	2	97.2085	4.472	32
786	727	999	5:SP3_SP2_SP3	B[5,5]	C[5,6a]	N[5]	3:4:2:2:	3:4:3:	4:4:4:4:	C[5,6a]-3:N[5]-4:O[5]-2:O[5]-2:	C[5,6a]-3:B[5,5]-4:C[6a]-3:	B[5,5]-4:C[5]-4:C-4:C-4:	B[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(O[5]C[5])2	C[5,6a](C[5,6a]C[6a]C[5])(B[5,5]N[5]O[5]2)(C[6a]C[6a]H)	N[5](B[5,5]C[5,6a]O[5]2)(C[5]C[5,6a]HH)(CH3)2	B[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(O[5]C[5])2{2|C<3>,3|H<1>,4|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(B[5,5]N[5]O[5]2)(C[6a]C[6a]H){2|C<3>,3|H<1>,4|C<4>}	N[5](B[5,5]C[5,6a]O[5]2)(C[5]C[5,6a]HH)(CH3)2{2|C<3>,2|C<4>}	95.5750	0.000	1	95.5750	0.000	1	95.5750	0.000	1	95.5750	0.000	1	96.6408	2.272	2	97.2085	4.472	32
786	727	999	5:SP3_SP2_SP3	B[5,6]	C[5,6a]	N[5]	3:4:2:2:	3:4:3:	4:4:4:4:	C[5,6a]-3:N[5]-4:O[6]-2:O[6]-2:	C[5,6a]-3:B[5,6]-4:C[6a]-3:	B[5,6]-4:C[5]-4:C-4:C-4:	B[5,6](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(O[6]B[5,6])(O[6]B[6])	C[5,6a](C[5,6a]C[6a]C[5])(B[5,6]N[5]O[6]2)(C[6a]C[6a]H)	N[5](B[5,6]C[5,6a]O[6]2)(C[5]C[5,6a]HH)(CH3)2	B[5,6](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(O[6]B[5,6])(O[6]B[6]){1|N<4>,1|O<2>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(B[5,6]N[5]O[6]2)(C[6a]C[6a]H){1|B<3>,1|B<4>,1|C<3>,2|C<4>,4|H<1>}	N[5](B[5,6]C[5,6a]O[6]2)(C[5]C[5,6a]HH)(CH3)2{1|B<3>,1|B<4>,2|C<3>}	95.9638	0.384	2	95.9638	0.147	2	94.2103	2.322	6	94.2103	2.322	6	94.2103	2.322	6	97.2085	4.472	32
786	727	999	5:SP3_SP2_SP3	B[5,6]	C[5,6a]	N[5]	3:4:2:2:	3:4:3:	4:4:4:4:	C[5,6a]-3:N[5]-4:O[6]-2:O[6]-2:	C[5,6a]-3:B[5,6]-4:C[6a]-3:	B[5,6]-4:C[5]-4:C-4:C-4:	B[5,6](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(O[6]B[5,6])2	C[5,6a](C[5,6a]C[6a]C[5])(B[5,6]N[5]O[6]2)(C[6a]C[6a]H)	N[5](B[5,6]C[5,6a]O[6]2)(C[5]C[5,6a]HH)(CC[5]HH)(CH3)	B[5,6](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(O[6]B[5,6])2{1|O<2>,2|N<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(B[5,6]N[5]O[6]2)(C[6a]C[6a]H){1|C<3>,2|B<4>,2|C<4>,4|H<1>}	N[5](B[5,6]C[5,6a]O[6]2)(C[5]C[5,6a]HH)(CC[5]HH)(CH3){2|B<4>,2|C<3>}	92.9968	0.663	3	92.9968	0.440	3	94.2103	2.322	6	94.2103	2.322	6	94.2103	2.322	6	97.2085	4.472	32
786	727	999	5:SP3_SP2_SP3	B[5,6]	C[5,6a]	N[5]	3:4:2:2:	3:4:3:	4:4:4:4:	C[5,6a]-3:N[5]-4:O[6]-2:O[6]-2:	C[5,6a]-3:B[5,6]-4:C[6a]-3:	B[5,6]-4:C[5]-4:C-4:C-4:	B[5,6](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(O[6]C[6])2	C[5,6a](C[5,6a]C[6a]C[5])(B[5,6]N[5]O[6]2)(C[6a]C[6a]H)	N[5](B[5,6]C[5,6a]O[6]2)(C[5]C[5,6a]HH)(CH3)2	B[5,6](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(O[6]C[6])2{1|C<4>,2|C<3>,7|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(B[5,6]N[5]O[6]2)(C[6a]C[6a]H){1|C<3>,4|C<4>,4|H<1>}	N[5](B[5,6]C[5,6a]O[6]2)(C[5]C[5,6a]HH)(CH3)2{2|C<3>,2|C<4>}	94.3437	0.000	1	94.3437	0.000	1	94.2103	2.322	6	94.2103	2.322	6	94.2103	2.322	6	97.2085	4.472	32
786	727	999	5:SP3_SP2_SP3	B[5]	C[5,6a]	N[5,5]	3:4:2:2:	3:4:3:	4:4:4:1:	C[5,6a]-3:N[5,5]-4:O-2:O-2:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,5]-4:B[5]-4:C[5]-4:H-1:	B[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5]H)(OC[6a])2	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5]N[5,5]OO)(C[6a]C[6a]H)	N[5,5](C[5,5]C[5,6a]O[5]H)(B[5]C[5,6a]OO)(C[5]C[5]CH)(H)	B[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5]H)(OC[6a])2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5]N[5,5]OO)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	N[5,5](C[5,5]C[5,6a]O[5]H)(B[5]C[5,6a]OO)(C[5]C[5]CH)(H){2|C<3>,2|H<1>}	98.5590	0.000	2	98.5590	0.000	2	98.5590	0.000	2	98.5590	0.000	2	98.5590	0.000	2	97.2085	4.472	32
786	727	999	5:SP3_SP2_SP3	B[5]	C[5,6a]	N[5]	3:3:3:4:	3:4:3:	4:4:4:4:	C[5,6a]-3:C[6a]-3:C[6a]-3:N[5]-4:	C[5,6a]-3:B[5]-4:C[6a]-3:	B[5]-4:C[5]-4:C-4:C-4:	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(N[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2N[5])(C[6a]C[6a]H)	N[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]CH)(CH3)2	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(N[5]C[5]CC){1|C<4>,6|C<3>,6|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2N[5])(C[6a]C[6a]H){3|C<4>,3|H<1>,5|C<3>}	N[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]CH)(CH3)2{6|C<3>}	96.2182	0.309	2	96.2182	0.095	2	96.2182	0.095	2	96.2182	0.095	2	98.2376	3.462	10	97.2085	4.472	32
786	727	999	5:SP3_SP2_SP3	B[5]	C[5,6a]	N[5]	3:3:4:1:	3:4:3:	4:4:4:4:	C[5,6a]-3:C[6a]-3:N[5]-4:H-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	B[5]-4:C[5]-4:C-4:C-4:	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]CC)(H)	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]N[5]H)(C[6a]C[6a]H)	N[5](B[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(CH3)2	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]CC)(H){2|H<1>,3|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]N[5]H)(C[6a]C[6a]H){3|C<3>,3|C<4>,3|H<1>}	N[5](B[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(CH3)2{4|C<3>}	97.6117	0.000	1	97.6117	0.000	1	97.6117	0.000	1	97.6117	0.000	1	98.2376	3.462	10	97.2085	4.472	32
786	727	999	5:SP3_SP2_SP3	B[5]	C[5,6a]	N[5]	3:4:1:1:	3:3:4:	3:4:4:4:	C[5,6a]-3:N[5]-4:F-1:F-1:	C[5,6a,6a]-3:C[6a]-3:B[5]-4:	C[5,6a]-3:B[5]-4:C-4:C-4:	B[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]CC)(F)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(B[5]N[5]FF)	N[5](C[5,6a]C[5,6a,6a]C[6a])(B[5]C[5,6a]FF)(CH3)2	B[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]CC)(F)2{1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(B[5]N[5]FF){1|H<1>,2|C<4>,3|C<3>}	N[5](C[5,6a]C[5,6a,6a]C[6a])(B[5]C[5,6a]FF)(CH3)2{1|H<1>,3|C<3>}	99.9486	0.000	1	99.9486	0.000	1	99.9486	0.000	1	99.9486	0.000	1	98.2376	3.462	10	97.2085	4.472	32
786	727	999	5:SP3_SP2_SP3	B[5]	C[5,6a]	N[5]	3:4:1:1:	3:3:4:	4:4:1:1:	C[5,6a]-3:N[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:B[5]-4:	B[5]-4:C[5]-4:H-1:H-1:	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(B[5]N[5]HH)	N[5](B[5]C[5,6a]HH)(C[5]C[5,6a]HH)(H)2	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]HH)(H)2{2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(B[5]N[5]HH){1|C<3>,6|H<1>}	N[5](B[5]C[5,6a]HH)(C[5]C[5,6a]HH)(H)2{2|C<3>}	97.9462	0.000	1	97.9462	0.000	1	97.9462	0.000	1	97.9462	0.000	1	98.2376	3.462	10	97.2085	4.472	32
786	727	999	5:SP3_SP2_SP3	B[5]	C[5,6a]	N[5]	3:4:1:1:	3:4:3:	4:4:4:4:	C[5,6a]-3:N[5]-4:Cl-1:Cl-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	B[5]-4:C[5]-4:C-4:C-4:	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(Cl)2	C[5,6a](C[5,6a]C[6a]C[5])(B[5]N[5]Cl2)(C[6a]C[6a]H)	N[5](B[5]C[5,6a]Cl2)(C[5]C[5,6a]CH)(CH3)2	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(Cl)2{1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(B[5]N[5]Cl2)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	N[5](B[5]C[5,6a]Cl2)(C[5]C[5,6a]CH)(CH3)2{2|C<3>}	99.9008	0.183	3	99.9008	0.034	3	99.8151	0.052	4	99.8151	0.052	4	98.2376	3.462	10	97.2085	4.472	32
786	727	999	5:SP3_SP2_SP3	B[5]	C[5,6a]	N[5]	3:4:1:1:	3:4:3:	4:4:4:4:	C[5,6a]-3:N[5]-4:Cl-1:Cl-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	B[5]-4:C[5]-4:C-4:C-4:	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(Cl)2	C[5,6a](C[5,6a]C[6a]C[5])(B[5]N[5]Cl2)(C[6a]C[6a]H)	N[5](B[5]C[5,6a]Cl2)(C[5]C[5,6a]HH)(CH3)2	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(Cl)2{2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(B[5]N[5]Cl2)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	N[5](B[5]C[5,6a]Cl2)(C[5]C[5,6a]HH)(CH3)2{2|C<3>}	99.5580	0.000	1	99.5580	0.000	1	99.8151	0.052	4	99.8151	0.052	4	98.2376	3.462	10	97.2085	4.472	32
786	727	999	5:SP3_SP2_SP3	B[5]	C[5,6a]	N[5]	3:4:4:4:	3:4:3:	4:4:4:4:	C[5,6a]-3:C[6]-4:C[6]-4:N[5]-4:	C[5,6a]-3:B[5]-4:C[6a]-3:	B[5]-4:C[5]-4:C-4:C-4:	B[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)2(N[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6]2N[5])(C[6a]C[6a]H)	N[5](B[5]C[5,6a]C[6]2)(C[5]C[5,6a]CH)(CH3)2	B[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)2(N[5]C[5]CC){10|H<1>,2|C<3>,5|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6]2N[5])(C[6a]C[6a]H){1|C<3>,5|H<1>,7|C<4>}	N[5](B[5]C[5,6a]C[6]2)(C[5]C[5,6a]CH)(CH3)2{2|C<3>,2|H<1>,4|C<4>}	95.1729	0.000	1	95.1729	0.000	1	95.1729	0.000	1	95.1729	0.000	1	98.2376	3.462	10	97.2085	4.472	32
786	762	818	0:SP3_SP2_SP2	B[5]	C[6]	C[5]	3:3:2:2:	4:4:3:	4:3:3:	C[6]-3:C[5]-3:O[5]-2:O[5]-2:	B[5,6]-4:B[5]-4:N[6]-3:	B[5]-4:N[5]-3:N[5]-3:	B[5](C[6]B[5,6]N[6])(C[5]N[5]2)(O[5]C[5])2	C[6](B[5,6]N[6]O[5]2)(B[5]C[5]O[5]2)(N[6]C[6]C)	C[5](B[5]C[6]O[5]2)(N[5]C[5]C)2	B[5](C[6]B[5,6]N[6])(C[5]N[5]2)(O[5]C[5])2{1|N<3>,2|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[6](B[5,6]N[6]O[5]2)(B[5]C[5]O[5]2)(N[6]C[6]C){1|C<3>,1|H<1>,2|N<3>,5|C<4>}	C[5](B[5]C[6]O[5]2)(N[5]C[5]C)2{1|B<4>,1|N<3>,2|C<4>,2|H<1>}	110.1375	0.421	2	110.1375	0.177	2	110.1375	0.177	2	110.1375	0.177	2	110.1375	0.177	2	110.1375	0.177	2
786	762	818	6:SP3_SP2_SP2	B[5,6]	C[6]	C[5,6]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6]-3:C[6]-3:C[6a]-3:N[5]-3:	B[5,6]-4:C[6]-3:C[6a]-3:	B[5,6]-4:C[6,6a]-3:C[5]-3:	B[5,6](C[5,6]C[6,6a]C[5])(C[6]C[6a]C[6])(C[6a]C[6a]2)(N[5]P[5]O)	C[6](B[5,6]C[5,6]C[6a]N[5])(C[6]C[6,6a]Si)(C[6a]C[6a]2)	C[5,6](B[5,6]C[6a]C[6]N[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]P[5])	B[5,6](C[5,6]C[6,6a]C[5])(C[6]C[6a]C[6])(C[6a]C[6a]2)(N[5]P[5]O){1|Si<4>,2|F<1>,9|C<3>}	C[6](B[5,6]C[5,6]C[6a]N[5])(C[6]C[6,6a]Si)(C[6a]C[6a]2){1|O<1>,1|P<4>,2|F<1>,7|C<3>}	C[5,6](B[5,6]C[6a]C[6]N[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]P[5]){10|C<3>,1|H<1>,1|O<1>}	102.7150	0.000	1	102.7150	0.000	1	102.7150	0.000	1	102.7150	0.000	1	102.7150	0.000	1	102.7150	0.000	1
786	762	856	6:SP3_SP2_SP2	B[5,6]	C[6]	N[6]	3:3:2:2:	4:4:3:	4:3:4:	C[6]-3:N[6]-3:O[5]-2:O[5]-2:	B[5,6]-4:B[5]-4:N[6]-3:	B[5,6]-4:C[6]-3:C-4:	B[5,6](C[6]B[5]N[6])(N[6]C[6]C)(O[5]C[5])2	C[6](B[5,6]N[6]O[5]2)(B[5]C[5]O[5]2)(N[6]C[6]C)	N[6](B[5,6]C[6]O[5]2)(C[6]C[6]H)(CCCH)	B[5,6](C[6]B[5]N[6])(N[6]C[6]C)(O[5]C[5])2{1|C<4>,2|C<3>,2|O<2>,5|H<1>}	C[6](B[5,6]N[6]O[5]2)(B[5]C[5]O[5]2)(N[6]C[6]C){1|C<3>,1|H<1>,2|N<3>,5|C<4>}	N[6](B[5,6]C[6]O[5]2)(C[6]C[6]H)(CCCH){1|B<4>,1|H<1>,1|N<3>,2|C<4>}	108.4670	0.272	2	108.4670	0.074	2	108.4670	0.074	2	108.4670	0.074	2	108.4670	0.074	2	108.4670	0.074	2
786	762	976	0:SP3_SP2_SP3	B[5,6]	C[6]	O[5]	3:3:2:2:	4:4:3:	4:4:	C[6]-3:N[6]-3:O[5]-2:O[5]-2:	B[5,6]-4:B[5]-4:N[6]-3:	B[5,6]-4:C[5]-4:	B[5,6](C[6]B[5]N[6])(N[6]C[6]C)(O[5]C[5])2	C[6](B[5,6]N[6]O[5]2)(B[5]C[5]O[5]2)(N[6]C[6]C)	O[5](B[5,6]C[6]N[6]O[5])(C[5]C[5]HH)	B[5,6](C[6]B[5]N[6])(N[6]C[6]C)(O[5]C[5])2{1|C<4>,2|C<3>,2|O<2>,5|H<1>}	C[6](B[5,6]N[6]O[5]2)(B[5]C[5]O[5]2)(N[6]C[6]C){1|C<3>,1|H<1>,2|N<3>,5|C<4>}	O[5](B[5,6]C[6]N[6]O[5])(C[5]C[5]HH){1|B<4>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	111.8530	4.730	4	111.8530	22.373	4	111.8530	22.373	4	111.8530	22.373	4	111.8530	22.373	4	112.1318	11.673	10
786	762	976	0:SP3_SP2_SP3	B[5]	C[6]	O[5]	3:2:2:4:	4:3:3:	4:4:	C[6]-3:O[5]-2:O[5]-2:N-4:	B[5]-4:C[6]-3:N[6]-3:	B[5]-4:C[5]-4:	B[5](C[6]C[6]N[6])(O[5]C[5])2(NHNV)	C[6](B[5]O[5]2N)(C[6]C[6]H)(N[6]C[6]V)	O[5](B[5]C[6]O[5]N)(C[5]C[5]CC)	B[5](C[6]C[6]N[6])(O[5]C[5])2(NHNV){1|H<1>,2|C<3>,4|C<4>}	C[6](B[5]O[5]2N)(C[6]C[6]H)(N[6]C[6]V){1|H<1>,2|C<3>,2|C<4>}	O[5](B[5]C[6]O[5]N)(C[5]C[5]CC){1|C<3>,1|N<3>,2|C<4>}	114.3725	3.686	2	114.3725	13.588	2	114.3725	13.588	2	114.3725	13.588	2	112.3177	7.485	6	112.1318	11.673	10
786	762	976	0:SP3_SP2_SP3	B[5]	C[6]	O[5]	3:3:2:2:	4:4:3:	4:4:	C[6]-3:C[5]-3:O[5]-2:O[5]-2:	B[5,6]-4:B[5]-4:N[6]-3:	B[5]-4:C[5]-4:	B[5](C[6]B[5,6]N[6])(C[5]N[5]2)(O[5]C[5])2	C[6](B[5,6]N[6]O[5]2)(B[5]C[5]O[5]2)(N[6]C[6]C)	O[5](B[5]C[5]C[6]O[5])(C[5]C[5]HH)	B[5](C[6]B[5,6]N[6])(C[5]N[5]2)(O[5]C[5])2{1|N<3>,2|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[6](B[5,6]N[6]O[5]2)(B[5]C[5]O[5]2)(N[6]C[6]C){1|C<3>,1|H<1>,2|N<3>,5|C<4>}	O[5](B[5]C[5]C[6]O[5])(C[5]C[5]HH){1|B<4>,2|H<1>,3|N<3>}	111.2903	1.929	4	111.2903	3.723	4	111.2903	3.723	4	111.2903	3.723	4	112.3177	7.485	6	112.1318	11.673	10
786	786	891	5:SP3_SP2_SP3	B[5,5,6,6]	B[5,5,6,6]	S[5]	4:4:3:2:	4:4:3:2:	4:3:	B[5,5,6,6]-4:C[3x6]-4:N[5,5]-3:S[5]-2:	B[5,5,6,6]-4:C[3x6]-4:N[5,5]-3:S[5]-2:	B[5,5,6,6]-4:C[5,5]-3:	B[5,5,6,6](B[5,5,6,6]C[3x6]N[5,5]S[5])(C[3x6]C[6,6,6a]2H)(N[5,5]C[5,5]C[5])(S[5]C[5,5])	B[5,5,6,6](B[5,5,6,6]C[3x6]N[5,5]S[5])(C[3x6]C[6,6,6a]2H)(N[5,5]C[5,5]C[5])(S[5]C[5,5])	S[5](B[5,5,6,6]B[5,5,6,6]C[3x6]N[5,5])(C[5,5]N[5,5]N[5])	B[5,5,6,6](B[5,5,6,6]C[3x6]N[5,5]S[5])(C[3x6]C[6,6,6a]2H)(N[5,5]C[5,5]C[5])(S[5]C[5,5]){2|H<1>,2|N<3>,6|C<3>}	B[5,5,6,6](B[5,5,6,6]C[3x6]N[5,5]S[5])(C[3x6]C[6,6,6a]2H)(N[5,5]C[5,5]C[5])(S[5]C[5,5]){2|H<1>,2|N<3>,6|C<3>}	S[5](B[5,5,6,6]B[5,5,6,6]C[3x6]N[5,5])(C[5,5]N[5,5]N[5]){1|H<1>,1|S<2>,2|C<4>,6|C<3>}	104.1965	0.289	2	104.1965	0.084	2	104.1965	0.084	2	104.1965	0.084	2	104.1965	0.084	2	104.1965	0.084	2
786	786	893	0:SP3_SP3_SP3	B[5,5]	B[5,5]	O	3:3:4:2:	3:3:4:2:	4:4:	N[5,6]-3:N[5,6]-3:B[5,5]-4:O-2:	N[5,6]-3:N[5,6]-3:B[5,5]-4:O-2:	B[5,5]-4:S-4:	B[5,5](N[5,6]C[5,6,6]C[6])2(B[5,5]N[5,6]2O)(OS)	B[5,5](N[5,6]C[5,6,6]C[6])2(B[5,5]N[5,6]2O)(OS)	O(B[5,5]B[5,5]N[5,6]2)(SCOO)	B[5,5](N[5,6]C[5,6,6]C[6])2(B[5,5]N[5,6]2O)(OS){2|N<3>,4|C<4>,4|H<1>}	B[5,5](N[5,6]C[5,6,6]C[6])2(B[5,5]N[5,6]2O)(OS){2|N<3>,4|C<4>,4|H<1>}	O(B[5,5]B[5,5]N[5,6]2)(SCOO)	130.5785	0.166	2	130.5785	0.028	2	130.5785	0.028	2	130.5785	0.028	2	130.5785	0.028	2	130.5785	0.028	2
786	786	956	0:SP3_SP3_SP3	B[5,5]	B[5,5]	N	3:3:4:3:	3:3:4:3:	4:4:4:	N[5,6]-3:N[5,6]-3:B[5,5]-4:N-3:	N[5,6]-3:N[5,6]-3:B[5,5]-4:N-3:	B[5,5]-4:C-4:C-4:	B[5,5](N[5,6]C[5,6,6]C[6])2(B[5,5]N[5,6]2N)(NCC)	B[5,5](N[5,6]C[5,6,6]C[6])2(B[5,5]N[5,6]2N)(NCC)	N(B[5,5]B[5,5]N[5,6]2)(CH3)2	B[5,5](N[5,6]C[5,6,6]C[6])2(B[5,5]N[5,6]2N)(NCC){2|N<3>,4|C<4>,4|H<1>}	B[5,5](N[5,6]C[5,6,6]C[6])2(B[5,5]N[5,6]2N)(NCC){2|N<3>,4|C<4>,4|H<1>}	N(B[5,5]B[5,5]N[5,6]2)(CH3)2	132.3150	0.822	2	132.3150	0.675	2	132.3150	0.675	2	132.3150	0.675	2	132.3150	0.675	2	132.3150	0.675	2
786	786	983	0:SP3_SP1_SP3	B[5,5]	B[5,5]	C	3:3:4:2:	3:3:4:2:	4:2:	N[5,6]-3:N[5,6]-3:B[5,5]-4:C-2:	N[5,6]-3:N[5,6]-3:B[5,5]-4:C-2:	B[5,5]-4:C-2:	B[5,5](N[5,6]C[5,6,6]C[6])2(B[5,5]N[5,6]2C)(CC)	B[5,5](N[5,6]C[5,6,6]C[6])2(B[5,5]N[5,6]2C)(CC)	C(B[5,5]B[5,5]N[5,6]2)(CC[6a])	B[5,5](N[5,6]C[5,6,6]C[6])2(B[5,5]N[5,6]2C)(CC){2|N<3>,4|C<4>,4|H<1>}	B[5,5](N[5,6]C[5,6,6]C[6])2(B[5,5]N[5,6]2C)(CC){2|N<3>,4|C<4>,4|H<1>}	C(B[5,5]B[5,5]N[5,6]2)(CC[6a])	127.8895	0.203	2	127.8895	0.041	2	127.8895	0.041	2	127.8895	0.041	2	127.8895	0.041	2	127.8895	0.041	2
786	790	790	0:SP3_SP-NON_SP-NON	B[5]	Cl	Cl	3:2:1:1:	4:	4:	C[5,6a]-3:Cl[5]-2:Cl-1:Cl-1:	B[5]-4:	B[5]-4:	B[5](C[5,6a]C[5,6a]C[6a])(Cl[5]B[5])(Cl)2	Cl(B[5]C[5,6a]Cl[5]Cl)	Cl(B[5]C[5,6a]Cl[5]Cl)	B[5](C[5,6a]C[5,6a]C[6a])(Cl[5]B[5])(Cl)2{1|Cl<1>,1|H<1>,1|O<2>,2|C<3>}	Cl(B[5]C[5,6a]Cl[5]Cl)	Cl(B[5]C[5,6a]Cl[5]Cl)	110.5970	0.000	1	110.5970	0.000	1	110.5970	0.000	1	110.5970	0.000	1	109.7869	5.235	15	109.7869	5.235	15
786	790	790	0:SP3_SP-NON_SP-NON	B[5]	Cl	Cl	3:3:1:1:	4:	4:	C[5,6a]-3:N[5,6]-3:Cl-1:Cl-1:	B[5]-4:	B[5]-4:	B[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(Cl)2	Cl(B[5]C[5,6a]N[5,6]Cl)	Cl(B[5]C[5,6a]N[5,6]Cl)	B[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(Cl)2{2|H<1>,4|C<3>}	Cl(B[5]C[5,6a]N[5,6]Cl)	Cl(B[5]C[5,6a]N[5,6]Cl)	110.6490	0.000	1	110.6490	0.000	1	110.6490	0.000	1	108.9363	1.969	6	109.7869	5.235	15	109.7869	5.235	15
786	790	790	0:SP3_SP-NON_SP-NON	B[5]	Cl	Cl	3:3:1:1:	4:	4:	C[5,6a]-3:N[5]-3:Cl-1:Cl-1:	B[5]-4:	B[5]-4:	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(Cl)2	Cl(B[5]C[5,6a]N[5]Cl)	Cl(B[5]C[5,6a]N[5]Cl)	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(Cl)2{2|H<1>,4|C<3>}	Cl(B[5]C[5,6a]N[5]Cl)	Cl(B[5]C[5,6a]N[5]Cl)	108.6480	0.000	1	108.6480	0.000	1	108.6480	0.000	1	108.9363	1.969	6	109.7869	5.235	15	109.7869	5.235	15
786	790	790	0:SP3_SP-NON_SP-NON	B[5]	Cl	Cl	3:3:1:1:	4:	4:	C[5,6a]-3:O[5]-3:Cl-1:Cl-1:	B[5]-4:	B[5]-4:	B[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5]C)(Cl)2	Cl(B[5]C[5,6a]O[5]Cl)	Cl(B[5]C[5,6a]O[5]Cl)	B[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5]C)(Cl)2{2|Cl<1>,1|H<1>,2|C<3>}	Cl(B[5]C[5,6a]O[5]Cl)	Cl(B[5]C[5,6a]O[5]Cl)	108.1780	0.649	2	108.1780	0.421	2	108.1780	0.421	2	108.9363	1.969	6	109.7869	5.235	15	109.7869	5.235	15
786	790	790	0:SP3_SP-NON_SP-NON	B[5]	Cl	Cl	3:3:1:1:	4:	4:	N[5]-3:B[5]-3:Cl-1:Cl-1:	B[5]-4:	B[5]-4:	B[5](N[5]C[5]C[6])(B[5]N[5]N)(Cl)2	Cl(B[5]B[5]N[5]Cl)	Cl(B[5]B[5]N[5]Cl)	B[5](N[5]C[5]C[6])(B[5]N[5]N)(Cl)2{1|H<1>,1|N<3>,3|C<4>}	Cl(B[5]B[5]N[5]Cl)	Cl(B[5]B[5]N[5]Cl)	107.3620	0.000	1	107.3620	0.000	1	107.3620	0.000	1	108.9363	1.969	6	109.7869	5.235	15	109.7869	5.235	15
786	790	790	0:SP3_SP-NON_SP-NON	B[5]	Cl	Cl	3:3:1:1:	4:	4:	O[5,6]-3:C[5]-3:Cl-1:Cl-1:	B[5]-4:	B[5]-4:	B[5](O[5,6]B[5,6,6]B[5,6])(C[5]C[6a]C[5])(Cl)2	Cl(B[5]O[5,6]C[5]Cl)	Cl(B[5]O[5,6]C[5]Cl)	B[5](O[5,6]B[5,6,6]B[5,6])(C[5]C[6a]C[5])(Cl)2{1|O<2>,2|O<3>,4|C<3>}	Cl(B[5]O[5,6]C[5]Cl)	Cl(B[5]O[5,6]C[5]Cl)	110.6030	0.000	1	110.6030	0.000	1	110.6030	0.000	1	108.9363	1.969	6	109.7869	5.235	15	109.7869	5.235	15
786	790	790	0:SP3_SP-NON_SP-NON	B[5]	Cl	Cl	3:4:1:1:	4:	4:	C[5,6a]-3:N[5]-4:Cl-1:Cl-1:	B[5]-4:	B[5]-4:	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(Cl)2	Cl(B[5]C[5,6a]N[5]Cl)	Cl(B[5]C[5,6a]N[5]Cl)	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(Cl)2{1|C<4>,2|C<3>,2|H<1>}	Cl(B[5]C[5,6a]N[5]Cl)	Cl(B[5]C[5,6a]N[5]Cl)	108.5293	0.211	3	108.6403	0.079	4	108.6403	0.079	4	108.8467	0.738	6	109.7869	5.235	15	109.7869	5.235	15
786	790	790	0:SP3_SP-NON_SP-NON	B[5]	Cl	Cl	3:4:1:1:	4:	4:	C[5,6a]-3:N[5]-4:Cl-1:Cl-1:	B[5]-4:	B[5]-4:	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(Cl)2	Cl(B[5]C[5,6a]N[5]Cl)	Cl(B[5]C[5,6a]N[5]Cl)	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(Cl)2{2|C<3>,3|H<1>}	Cl(B[5]C[5,6a]N[5]Cl)	Cl(B[5]C[5,6a]N[5]Cl)	108.9730	0.000	1	108.6403	0.079	4	108.6403	0.079	4	108.8467	0.738	6	109.7869	5.235	15	109.7869	5.235	15
786	790	790	0:SP3_SP-NON_SP-NON	B[5]	Cl	Cl	3:4:1:1:	4:	4:	C[5,6a]-3:P[5]-4:Cl-1:Cl-1:	B[5]-4:	B[5]-4:	B[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]C[6a]2)(Cl)2	Cl(B[5]C[5,6a]P[5]Cl)	Cl(B[5]C[5,6a]P[5]Cl)	B[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]C[6a]2)(Cl)2{1|H<1>,7|C<3>}	Cl(B[5]C[5,6a]P[5]Cl)	Cl(B[5]C[5,6a]P[5]Cl)	110.4720	0.000	1	110.4720	0.000	1	109.2595	2.940	2	108.8467	0.738	6	109.7869	5.235	15	109.7869	5.235	15
786	790	790	0:SP3_SP-NON_SP-NON	B[5]	Cl	Cl	3:4:1:1:	4:	4:	C[5,6a]-3:P[5]-4:Cl-1:Cl-1:	B[5]-4:	B[5]-4:	B[5](C[5,6a]C[5,6a]C[6a])(P[5]C[5]CC)(Cl)2	Cl(B[5]C[5,6a]P[5]Cl)	Cl(B[5]C[5,6a]P[5]Cl)	B[5](C[5,6a]C[5,6a]C[6a])(P[5]C[5]CC)(Cl)2{2|C<3>,3|H<1>}	Cl(B[5]C[5,6a]P[5]Cl)	Cl(B[5]C[5,6a]P[5]Cl)	108.0470	0.000	1	108.0470	0.000	1	109.2595	2.940	2	108.8467	0.738	6	109.7869	5.235	15	109.7869	5.235	15
786	790	790	0:SP3_SP-NON_SP-NON	B[5]	Cl	Cl	4:4:1:1:	4:	4:	As[5]-4:As[5]-4:Cl-1:Cl-1:	B[5]-4:	B[5]-4:	B[5](As[5]C[5,6a]CC)2(Cl)2	Cl(B[5]As[5]2Cl)	Cl(B[5]As[5]2Cl)	B[5](As[5]C[5,6a]CC)2(Cl)2{2|C<3>}	Cl(B[5]As[5]2Cl)	Cl(B[5]As[5]2Cl)	114.5250	0.000	1	114.5250	0.000	1	114.5250	0.000	1	114.7545	0.105	2	109.7869	5.235	15	109.7869	5.235	15
786	790	790	0:SP3_SP-NON_SP-NON	B[5]	Cl	Cl	4:4:1:1:	4:	4:	P[5]-4:P[5]-4:Cl-1:Cl-1:	B[5]-4:	B[5]-4:	B[5](P[5]C[5,6a]CC)2(Cl)2	Cl(B[5]P[5]2Cl)	Cl(B[5]P[5]2Cl)	B[5](P[5]C[5,6a]CC)2(Cl)2{2|C<3>}	Cl(B[5]P[5]2Cl)	Cl(B[5]P[5]2Cl)	114.9840	0.000	1	114.9840	0.000	1	114.9840	0.000	1	114.7545	0.105	2	109.7869	5.235	15	109.7869	5.235	15
786	790	818	0:SP3_SP-NON_SP2	B[5,6]	Cl	C[5]	3:3:3:1:	4:	4:3:3:	O[5,6,6]-3:O[5,6]-3:C[5]-3:Cl-1:	B[5,6]-4:	B[5,6]-4:C[5]-3:C[6a]-3:	B[5,6](O[5,6,6]B[5,6,6]B[5,6])(O[5,6]B[5,6]B[5])(C[5]C[6a]C[5])(Cl)	Cl(B[5,6]O[5,6,6]O[5,6]C[5])	C[5](B[5,6]O[5,6,6]O[5,6]Cl)(C[5]B[5,6]C[6a])(C[6a]C[6a]2)	B[5,6](O[5,6,6]B[5,6,6]B[5,6])(O[5,6]B[5,6]B[5])(C[5]C[6a]C[5])(Cl){2|Cl<1>,1|O<2>,2|O<3>,6|C<3>}	Cl(B[5,6]O[5,6,6]O[5,6]C[5])	C[5](B[5,6]O[5,6,6]O[5,6]Cl)(C[5]B[5,6]C[6a])(C[6a]C[6a]2){1|B<3>,1|O<2>,2|B<4>,2|H<1>,4|C<3>}	119.0130	0.000	1	119.0130	0.000	1	119.0130	0.000	1	115.5485	24.006	2	115.5485	24.006	2	111.8597	17.074	11
786	790	818	0:SP3_SP-NON_SP2	B[5,6]	Cl	C[5]	3:3:3:1:	4:	4:3:3:	O[5,6]-3:O[5,6]-3:C[5]-3:Cl-1:	B[5,6]-4:	B[5,6]-4:C[5]-3:C[6a]-3:	B[5,6](O[5,6]B[5,6,6]B[5])(O[5,6]B[5,6]B[5])(C[5]C[6a]C[5])(Cl)	Cl(B[5,6]O[5,6]2C[5])	C[5](B[5,6]O[5,6]2Cl)(C[5]C[6a]B[5])(C[6a]C[6a]2)	B[5,6](O[5,6]B[5,6,6]B[5])(O[5,6]B[5,6]B[5])(C[5]C[6a]C[5])(Cl){3|Cl<1>,2|O<3>,6|C<3>}	Cl(B[5,6]O[5,6]2C[5])	C[5](B[5,6]O[5,6]2Cl)(C[5]C[6a]B[5])(C[6a]C[6a]2){1|Cl<1>,1|B<3>,2|B<4>,2|H<1>,4|C<3>}	112.0840	0.000	1	112.0840	0.000	1	112.0840	0.000	1	115.5485	24.006	2	115.5485	24.006	2	111.8597	17.074	11
786	790	818	0:SP3_SP-NON_SP2	B[5]	Cl	C[5,5]	3:4:4:1:	4:	4:3:3:	C[5,5]-3:C[5]-4:C-4:Cl-1:	B[5]-4:	B[5]-4:N[5,5]-3:N[5]-3:	B[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(CC3)(Cl)	Cl(B[5]C[5,5]C[5]C)	C[5,5](B[5]C[5]ClC)(N[5,5]C[5]2)(N[5]C[5]C)	B[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(CC3)(Cl){2|C<3>,3|C<4>}	Cl(B[5]C[5,5]C[5]C)	C[5,5](B[5]C[5]ClC)(N[5,5]C[5]2)(N[5]C[5]C){2|C<4>,4|H<1>}	103.0200	0.000	1	103.0200	0.000	1	103.0200	0.000	1	103.0200	0.000	1	103.0200	0.000	1	111.8597	17.074	11
786	790	818	0:SP3_SP-NON_SP2	B[5]	Cl	C[5]	3:3:1:1:	4:	3:4:3:	O[5,6]-3:C[5]-3:Cl-1:Cl-1:	B[5]-4:	C[5]-3:B[5]-4:C[6a]-3:	B[5](O[5,6]B[5,6,6]B[5,6])(C[5]C[6a]C[5])(Cl)2	Cl(B[5]O[5,6]C[5]Cl)	C[5](C[5]B[5,6]C[6a])(B[5]O[5,6]Cl2)(C[6a]C[6a]2)	B[5](O[5,6]B[5,6,6]B[5,6])(C[5]C[6a]C[5])(Cl)2{1|O<2>,2|O<3>,4|C<3>}	Cl(B[5]O[5,6]C[5]Cl)	C[5](C[5]B[5,6]C[6a])(B[5]O[5,6]Cl2)(C[6a]C[6a]2){1|B<4>,1|O<2>,2|H<1>,4|C<3>}	113.9785	3.038	2	113.9785	9.232	2	113.9785	9.232	2	113.9785	9.232	2	112.0425	5.873	8	111.8597	17.074	11
786	790	818	0:SP3_SP-NON_SP2	B[5]	Cl	C[5]	3:3:3:1:	4:	4:3:3:	C[5]-3:C[5]-3:N[6]-3:Cl-1:	B[5]-4:	B[5]-4:C[5]-3:C[6a]-3:	B[5](C[5]C[6a]C[5])2(N[6]C[6]2)(Cl)	Cl(B[5]C[5]2N[6])	C[5](B[5]C[5]N[6]Cl)(C[5]C[6a]C[5])(C[6a]C[6a]2)	B[5](C[5]C[6a]C[5])2(N[6]C[6]2)(Cl){2|H<1>,8|C<3>}	Cl(B[5]C[5]2N[6])	C[5](B[5]C[5]N[6]Cl)(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,8|C<3>}	111.2095	4.028	2	111.2095	16.228	2	111.2095	16.228	2	111.3972	4.377	6	112.0425	5.873	8	111.8597	17.074	11
786	790	818	0:SP3_SP-NON_SP2	B[5]	Cl	C[5]	3:3:3:1:	4:	4:3:3:	N[5,6]-3:C[5]-3:C[6a]-3:Cl-1:	B[5]-4:	B[5]-4:C[5]-3:C[6a]-3:	B[5](N[5,6]C[5,6]C[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)(Cl)	Cl(B[5]N[5,6]C[6a]C[5])	C[5](B[5]N[5,6]C[6a]Cl)(C[5]C[5,6]C[6a])(C[6a]C[6a]2)	B[5](N[5,6]C[5,6]C[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)(Cl){1|C<4>,2|H<1>,7|C<3>}	Cl(B[5]N[5,6]C[6a]C[5])	C[5](B[5]N[5,6]C[6a]Cl)(C[5]C[5,6]C[6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	110.8217	0.298	3	111.4910	1.851	4	111.4910	1.851	4	111.3972	4.377	6	112.0425	5.873	8	111.8597	17.074	11
786	790	818	0:SP3_SP-NON_SP2	B[5]	Cl	C[5]	3:3:3:1:	4:	4:3:3:	N[5,6]-3:C[5]-3:C[6a]-3:Cl-1:	B[5]-4:	B[5]-4:C[5]-3:C[6a]-3:	B[5](N[5,6]C[5,6]C[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)(Cl)	Cl(B[5]N[5,6]C[6a]C[5])	C[5](B[5]N[5,6]C[6a]Cl)(C[5]C[5,6]C[6a])(C[6a]C[6a]2)	B[5](N[5,6]C[5,6]C[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)(Cl){3|H<1>,7|C<3>}	Cl(B[5]N[5,6]C[6a]C[5])	C[5](B[5]N[5,6]C[6a]Cl)(C[5]C[5,6]C[6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	113.4990	0.000	1	111.4910	1.851	4	111.4910	1.851	4	111.3972	4.377	6	112.0425	5.873	8	111.8597	17.074	11
786	790	856	0:SP3_SP-NON_SP2	B[5]	Cl	N[6]	3:3:3:1:	4:	4:3:3:	C[5]-3:C[5]-3:N[6]-3:Cl-1:	B[5]-4:	B[5]-4:C[6]-3:C[6]-3:	B[5](C[5]C[6a]C[5])2(N[6]C[6]2)(Cl)	Cl(B[5]C[5]2N[6])	N[6](B[5]C[5]2Cl)(C[6]C[6]H)2	B[5](C[5]C[6a]C[5])2(N[6]C[6]2)(Cl){2|H<1>,8|C<3>}	Cl(B[5]C[5]2N[6])	N[6](B[5]C[5]2Cl)(C[6]C[6]H)2{2|H<1>,5|C<3>}	109.0990	0.000	1	109.0990	0.000	1	109.0990	0.000	1	109.0990	0.000	1	109.0990	0.000	1	109.0990	0.000	1
786	790	893	0:SP3_SP-NON_SP2	B[5]	Cl	O	3:2:2:1:	4:	4:3:	C[5,6a]-3:Cl[5]-2:O-2:Cl-1:	B[5]-4:	B[5]-4:C-3:	B[5](C[5,6a]C[5,6a]C[6a])(Cl[5]B[5])(OC)(Cl)	Cl(B[5]C[5,6a]Cl[5]O)	O(B[5]C[5,6a]Cl[5]Cl)(COP)	B[5](C[5,6a]C[5,6a]C[6a])(Cl[5]B[5])(OC)(Cl){2|Cl<1>,1|H<1>,2|C<3>}	Cl(B[5]C[5,6a]Cl[5]O)	O(B[5]C[5,6a]Cl[5]Cl)(COP)	111.8810	0.000	1	111.8810	0.000	1	111.8810	0.000	1	111.8810	0.000	1	111.8810	0.000	1	111.8810	0.000	1
786	790	906	0:SP3_SP-NON_SP-NON	B[5]	Cl	Cl[5]	3:2:1:1:	4:	4:4:	C[5,6a]-3:Cl[5]-2:Cl-1:Cl-1:	B[5]-4:	B[5]-4:B[5]-4:	B[5](C[5,6a]C[5,6a]C[6a])(Cl[5]B[5])(Cl)2	Cl(B[5]C[5,6a]Cl[5]Cl)	Cl[5](B[5]C[5,6a]Cl2)(B[5]C[5,6a]ClO)	B[5](C[5,6a]C[5,6a]C[6a])(Cl[5]B[5])(Cl)2{1|Cl<1>,1|H<1>,1|O<2>,2|C<3>}	Cl(B[5]C[5,6a]Cl[5]Cl)	Cl[5](B[5]C[5,6a]Cl2)(B[5]C[5,6a]ClO){2|C<3>}	105.3420	0.390	2	105.3420	0.152	2	105.3420	0.152	2	105.3420	0.152	2	106.0863	1.738	3	106.0863	1.738	3
786	790	906	0:SP3_SP-NON_SP-NON	B[5]	Cl	Cl[5]	3:2:2:1:	4:	4:4:	C[5,6a]-3:Cl[5]-2:O-2:Cl-1:	B[5]-4:	B[5]-4:B[5]-4:	B[5](C[5,6a]C[5,6a]C[6a])(Cl[5]B[5])(OC)(Cl)	Cl(B[5]C[5,6a]Cl[5]O)	Cl[5](B[5]C[5,6a]Cl2)(B[5]C[5,6a]ClO)	B[5](C[5,6a]C[5,6a]C[6a])(Cl[5]B[5])(OC)(Cl){2|Cl<1>,1|H<1>,2|C<3>}	Cl(B[5]C[5,6a]Cl[5]O)	Cl[5](B[5]C[5,6a]Cl2)(B[5]C[5,6a]ClO){2|C<3>}	107.5750	0.000	1	107.5750	0.000	1	107.5750	0.000	1	107.5750	0.000	1	106.0863	1.738	3	106.0863	1.738	3
786	790	916	0:SP3_SP-NON_SP3	B[5,6]	Cl	O[5,6,6]	3:3:3:1:	4:	4:4:3:	O[5,6,6]-3:O[5,6]-3:C[5]-3:Cl-1:	B[5,6]-4:	B[5,6,6]-4:B[5,6]-4:B[5,6]-3:	B[5,6](O[5,6,6]B[5,6,6]B[5,6])(O[5,6]B[5,6]B[5])(C[5]C[6a]C[5])(Cl)	Cl(B[5,6]O[5,6,6]O[5,6]C[5])	O[5,6,6](B[5,6,6]O[5,6]2C[5])(B[5,6]O[5,6]C[5]Cl)(B[5,6]C[5]O[6])	B[5,6](O[5,6,6]B[5,6,6]B[5,6])(O[5,6]B[5,6]B[5])(C[5]C[6a]C[5])(Cl){2|Cl<1>,1|O<2>,2|O<3>,6|C<3>}	Cl(B[5,6]O[5,6,6]O[5,6]C[5])	O[5,6,6](B[5,6,6]O[5,6]2C[5])(B[5,6]O[5,6]C[5]Cl)(B[5,6]C[5]O[6]){2|B<4>,3|B<3>,4|C<3>}	110.4390	0.000	1	110.4390	0.000	1	110.4390	0.000	1	110.4390	0.000	1	110.4390	0.000	1	108.9435	1.095	8
786	790	916	0:SP3_SP-NON_SP3	B[5,6]	Cl	O[5,6]	3:3:3:1:	4:	4:4:3:	O[5,6,6]-3:O[5,6]-3:C[5]-3:Cl-1:	B[5,6]-4:	B[5,6]-4:B[5,6]-4:B[5]-3:	B[5,6](O[5,6,6]B[5,6,6]B[5,6])(O[5,6]B[5,6]B[5])(C[5]C[6a]C[5])(Cl)	Cl(B[5,6]O[5,6,6]O[5,6]C[5])	O[5,6](B[5,6]O[5,6,6]C[5]Cl)(B[5,6]O[5,6]C[5]Cl)(B[5]C[5]Cl)	B[5,6](O[5,6,6]B[5,6,6]B[5,6])(O[5,6]B[5,6]B[5])(C[5]C[6a]C[5])(Cl){2|Cl<1>,1|O<2>,2|O<3>,6|C<3>}	Cl(B[5,6]O[5,6,6]O[5,6]C[5])	O[5,6](B[5,6]O[5,6,6]C[5]Cl)(B[5,6]O[5,6]C[5]Cl)(B[5]C[5]Cl){1|B<4>,2|B<3>,4|C<3>}	109.0920	0.000	1	109.0920	0.000	1	109.0920	0.000	1	109.0910	0.756	3	109.0910	0.756	3	108.9435	1.095	8
786	790	916	0:SP3_SP-NON_SP3	B[5,6]	Cl	O[5,6]	3:3:3:1:	4:	4:4:3:	O[5,6]-3:O[5,6]-3:C[5]-3:Cl-1:	B[5,6]-4:	B[5,6,6]-4:B[5,6]-4:B[5]-3:	B[5,6](O[5,6]B[5,6,6]B[5])(O[5,6]B[5,6]B[5])(C[5]C[6a]C[5])(Cl)	Cl(B[5,6]O[5,6]2C[5])	O[5,6](B[5,6,6]O[5,6,6]O[5,6]C[5])(B[5,6]O[5,6]C[5]Cl)(B[5]C[5]Cl)	B[5,6](O[5,6]B[5,6,6]B[5])(O[5,6]B[5,6]B[5])(C[5]C[6a]C[5])(Cl){3|Cl<1>,2|O<3>,6|C<3>}	Cl(B[5,6]O[5,6]2C[5])	O[5,6](B[5,6,6]O[5,6,6]O[5,6]C[5])(B[5,6]O[5,6]C[5]Cl)(B[5]C[5]Cl){2|B<4>,3|B<3>,4|C<3>}	108.2210	0.000	1	108.2210	0.000	1	108.2210	0.000	1	109.0910	0.756	3	109.0910	0.756	3	108.9435	1.095	8
786	790	916	0:SP3_SP-NON_SP3	B[5,6]	Cl	O[5,6]	3:3:3:1:	4:	4:4:3:	O[5,6]-3:O[5,6]-3:C[5]-3:Cl-1:	B[5,6]-4:	B[5,6]-4:B[5,6]-4:B[5]-3:	B[5,6](O[5,6]B[5,6,6]B[5])(O[5,6]B[5,6]B[5])(C[5]C[6a]C[5])(Cl)	Cl(B[5,6]O[5,6]2C[5])	O[5,6](B[5,6]O[5,6,6]C[5]Cl)(B[5,6]O[5,6]C[5]Cl)(B[5]C[5]Cl)	B[5,6](O[5,6]B[5,6,6]B[5])(O[5,6]B[5,6]B[5])(C[5]C[6a]C[5])(Cl){3|Cl<1>,2|O<3>,6|C<3>}	Cl(B[5,6]O[5,6]2C[5])	O[5,6](B[5,6]O[5,6,6]C[5]Cl)(B[5,6]O[5,6]C[5]Cl)(B[5]C[5]Cl){1|B<4>,2|B<3>,4|C<3>}	109.9600	0.000	1	109.9600	0.000	1	109.9600	0.000	1	109.0910	0.756	3	109.0910	0.756	3	108.9435	1.095	8
786	790	916	0:SP3_SP-NON_SP3	B[5]	Cl	O[5,6]	3:3:1:1:	4:	4:3:4:	O[5,6]-3:C[5]-3:Cl-1:Cl-1:	B[5]-4:	B[5,6,6]-4:B[5,6]-3:B[5]-4:	B[5](O[5,6]B[5,6,6]B[5,6])(C[5]C[6a]C[5])(Cl)2	Cl(B[5]O[5,6]C[5]Cl)	O[5,6](B[5,6,6]O[5,6,6]O[5,6]C[5])(B[5,6]C[5]O[6])(B[5]C[5]Cl2)	B[5](O[5,6]B[5,6,6]B[5,6])(C[5]C[6a]C[5])(Cl)2{1|O<2>,2|O<3>,4|C<3>}	Cl(B[5]O[5,6]C[5]Cl)	O[5,6](B[5,6,6]O[5,6,6]O[5,6]C[5])(B[5,6]C[5]O[6])(B[5]C[5]Cl2){2|B<3>,2|B<4>,4|C<3>}	108.3045	1.002	2	108.3045	1.004	2	108.3045	1.004	2	108.3045	1.004	2	108.3045	1.004	2	108.9435	1.095	8
786	790	916	0:SP3_SP-NON_SP3	B[5]	Cl	O[5]	3:3:1:1:	4:	4:4:4:	C[5,6a]-3:O[5]-3:Cl-1:Cl-1:	B[5]-4:	B[5]-4:B[5]-4:C-4:	B[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5]C)(Cl)2	Cl(B[5]C[5,6a]O[5]Cl)	O[5](B[5]C[5,6a]Cl2)2(CCHH)	B[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5]C)(Cl)2{2|Cl<1>,1|H<1>,2|C<3>}	Cl(B[5]C[5,6a]O[5]Cl)	O[5](B[5]C[5,6a]Cl2)2(CCHH){2|C<3>}	108.6135	1.346	2	108.6135	1.811	2	108.6135	1.811	2	108.6135	1.811	2	108.6135	1.811	2	108.9435	1.095	8
786	790	951	0:SP3_SP-NON_SP-NON	B[5]	Cl	H	4:3:1:1:	4:	4:	N[5,6]-4:N[5]-3:Cl-1:H-1:	B[5]-4:	B[5]-4:	B[5](N[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(Cl)(H)	Cl(B[5]N[5,6]N[5]H)	H(B[5]N[5,6]N[5]Cl)	B[5](N[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(Cl)(H){2|C<3>,2|C<4>,8|H<1>}	Cl(B[5]N[5,6]N[5]H)	H(B[5]N[5,6]N[5]Cl)	102.9350	0.000	1	102.9350	0.000	1	102.9350	0.000	1	102.9350	0.000	1	102.9350	0.000	1	102.9350	0.000	1
786	790	955	0:SP3_SP-NON_SP3	B[5]	Cl	P[5]	3:3:4:1:	4:	4:4:4:4:	N[5,6]-3:C[6a]-3:P[5]-4:Cl-1:	B[5]-4:	B[5]-4:C[5]-4:C-4:C-4:	B[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(P[5]C[5]CC)(Cl)	Cl(B[5]N[5,6]C[6a]P[5])	P[5](B[5]N[5,6]C[6a]Cl)(C[5]C[5,6]GaH)(CC3)2	B[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(P[5]C[5]CC)(Cl){1|Ga<4>,1|C<4>,3|H<1>,4|C<3>}	Cl(B[5]N[5,6]C[6a]P[5])	P[5](B[5]N[5,6]C[6a]Cl)(C[5]C[5,6]GaH)(CC3)2{4|C<3>}	108.5270	0.000	1	108.5270	0.000	1	108.8880	0.261	2	108.8880	0.261	2	110.2161	7.074	8	110.2161	7.074	8
786	790	955	0:SP3_SP-NON_SP3	B[5]	Cl	P[5]	3:3:4:1:	4:	4:4:4:4:	N[5,6]-3:C[6a]-3:P[5]-4:Cl-1:	B[5]-4:	B[5]-4:C[5]-4:C-4:C-4:	B[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(P[5]C[5]CC)(Cl)	Cl(B[5]N[5,6]C[6a]P[5])	P[5](B[5]N[5,6]C[6a]Cl)(C[5]C[5,6]HH)(CC3)2	B[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(P[5]C[5]CC)(Cl){1|C<4>,4|C<3>,4|H<1>}	Cl(B[5]N[5,6]C[6a]P[5])	P[5](B[5]N[5,6]C[6a]Cl)(C[5]C[5,6]HH)(CC3)2{4|C<3>}	109.2490	0.000	1	109.2490	0.000	1	108.8880	0.261	2	108.8880	0.261	2	110.2161	7.074	8	110.2161	7.074	8
786	790	955	0:SP3_SP-NON_SP3	B[5]	Cl	P[5]	3:4:1:1:	4:	3:4:3:3:	C[5,6a]-3:P[5]-4:Cl-1:Cl-1:	B[5]-4:	C[5,6a]-3:B[5]-4:C[6a]-3:C[6a]-3:	B[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]C[6a]2)(Cl)2	Cl(B[5]C[5,6a]P[5]Cl)	P[5](C[5,6a]C[5,6a,6a]C[6a])(B[5]C[5,6a]Cl2)(C[6a]C[6a]2)2	B[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]C[6a]2)(Cl)2{1|H<1>,7|C<3>}	Cl(B[5]C[5,6a]P[5]Cl)	P[5](C[5,6a]C[5,6a,6a]C[6a])(B[5]C[5,6a]Cl2)(C[6a]C[6a]2)2{5|H<1>,7|C<3>}	109.5910	4.814	2	109.5910	23.174	2	109.5910	23.174	2	109.5910	23.174	2	110.2161	7.074	8	110.2161	7.074	8
786	790	955	0:SP3_SP-NON_SP3	B[5]	Cl	P[5]	3:4:1:1:	4:	4:4:4:4:	C[5,6a]-3:P[5]-4:Cl-1:Cl-1:	B[5]-4:	B[5]-4:C[5]-4:C-4:C-4:	B[5](C[5,6a]C[5,6a]C[6a])(P[5]C[5]CC)(Cl)2	Cl(B[5]C[5,6a]P[5]Cl)	P[5](B[5]C[5,6a]Cl2)(C[5]C[5,6a]HH)(CC3)2	B[5](C[5,6a]C[5,6a]C[6a])(P[5]C[5]CC)(Cl)2{2|C<3>,3|H<1>}	Cl(B[5]C[5,6a]P[5]Cl)	P[5](B[5]C[5,6a]Cl2)(C[5]C[5,6a]HH)(CC3)2{2|C<3>}	112.1505	3.502	2	112.1505	12.266	2	112.1505	12.266	2	112.1505	12.266	2	110.2161	7.074	8	110.2161	7.074	8
786	790	955	0:SP3_SP-NON_SP3	B[5]	Cl	P[5]	4:4:1:1:	4:	3:4:4:4:	P[5]-4:P[5]-4:Cl-1:Cl-1:	B[5]-4:	C[5,6a]-3:B[5]-4:C-4:C-4:	B[5](P[5]C[5,6a]CC)2(Cl)2	Cl(B[5]P[5]2Cl)	P[5](C[5,6a]C[5,6a]C[6a])(B[5]P[5]Cl2)(CH3)2	B[5](P[5]C[5,6a]CC)2(Cl)2{2|C<3>}	Cl(B[5]P[5]2Cl)	P[5](C[5,6a]C[5,6a]C[6a])(B[5]P[5]Cl2)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	110.2350	1.423	2	110.2350	2.024	2	110.2350	2.024	2	110.2350	2.024	2	110.2161	7.074	8	110.2161	7.074	8
786	790	999	0:SP3_SP-NON_SP3	B[5]	Cl	N[5,6]	4:3:1:1:	4:	4:4:4:4:	N[5,6]-4:N[5]-3:Cl-1:H-1:	B[5]-4:	B[5]-4:C[5]-4:C[6]-4:C[6]-4:	B[5](N[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(Cl)(H)	Cl(B[5]N[5,6]N[5]H)	N[5,6](B[5]N[5]ClH)(C[5]C[5]HH)(C[6]C[6]HH)2	B[5](N[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(Cl)(H){2|C<3>,2|C<4>,8|H<1>}	Cl(B[5]N[5,6]N[5]H)	N[5,6](B[5]N[5]ClH)(C[5]C[5]HH)(C[6]C[6]HH)2{1|C<3>,1|C<4>,6|H<1>}	106.2890	0.000	1	106.2890	0.000	1	106.2890	0.000	1	106.2890	0.000	1	106.2890	0.000	1	109.1497	6.840	9
786	790	999	0:SP3_SP-NON_SP3	B[5]	Cl	N[5]	3:4:1:1:	4:	4:4:4:4:	C[5,6a]-3:N[5]-4:Cl-1:Cl-1:	B[5]-4:	B[5]-4:C[5]-4:C-4:C-4:	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(Cl)2	Cl(B[5]C[5,6a]N[5]Cl)	N[5](B[5]C[5,6a]Cl2)(C[5]C[5,6a]CH)(CH3)2	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(Cl)2{1|C<4>,2|C<3>,2|H<1>}	Cl(B[5]C[5,6a]N[5]Cl)	N[5](B[5]C[5,6a]Cl2)(C[5]C[5,6a]CH)(CH3)2{2|C<3>}	110.2950	2.107	5	110.2950	4.440	5	110.1113	4.181	7	110.1113	4.181	7	109.5072	6.502	8	109.1497	6.840	9
786	790	999	0:SP3_SP-NON_SP3	B[5]	Cl	N[5]	3:4:1:1:	4:	4:4:4:4:	C[5,6a]-3:N[5]-4:Cl-1:Cl-1:	B[5]-4:	B[5]-4:C[5]-4:C-4:C-4:	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(Cl)2	Cl(B[5]C[5,6a]N[5]Cl)	N[5](B[5]C[5,6a]Cl2)(C[5]C[5,6a]HH)(CH3)2	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(Cl)2{2|C<3>,3|H<1>}	Cl(B[5]C[5,6a]N[5]Cl)	N[5](B[5]C[5,6a]Cl2)(C[5]C[5,6a]HH)(CH3)2{2|C<3>}	109.6520	2.595	2	109.6520	6.734	2	110.1113	4.181	7	110.1113	4.181	7	109.5072	6.502	8	109.1497	6.840	9
786	790	999	0:SP3_SP-NON_SP3	B[5]	Cl	N[5]	4:4:3:1:	4:	3:4:4:4:	C[5]-4:N[5]-4:C[6a]-3:Cl-1:	B[5]-4:	C[5,6a]-3:B[5]-4:C-4:C-4:	B[5](C[5]C[5,6a]HH)(N[5]C[5,6a]CC)(C[6a]C[6a]2)(Cl)	Cl(B[5]C[6a]C[5]N[5])	N[5](C[5,6a]C[5,6a]C[6a])(B[5]C[6a]C[5]Cl)(CH3)2	B[5](C[5]C[5,6a]HH)(N[5]C[5,6a]CC)(C[6a]C[6a]2)(Cl){2|H<1>,4|C<3>}	Cl(B[5]C[6a]C[5]N[5])	N[5](C[5,6a]C[5,6a]C[6a])(B[5]C[6a]C[5]Cl)(CH3)2{3|H<1>,4|C<3>}	105.2790	0.000	1	105.2790	0.000	1	105.2790	0.000	1	105.2790	0.000	1	109.5072	6.502	8	109.1497	6.840	9
786	813	813	6:SP3_SP2_SP2	B[5,6]	N[5a,6]	N[5a,6]	3:3:2:2:	4:3:3:	4:3:3:	N[5a,6]-3:N[5a,6]-3:O[5]-2:O[5]-2:	B[5,6]-4:C[5a,6]-3:C[5a]-3:	B[5,6]-4:C[5a,6]-3:C[5a]-3:	B[5,6](N[5a,6]C[5a,6]C[5a])2(O[5]C[5])2	N[5a,6](B[5,6]N[5a,6]O[5]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]H)	N[5a,6](B[5,6]N[5a,6]O[5]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]H)	B[5,6](N[5a,6]C[5a,6]C[5a])2(O[5]C[5])2{1|C<4>,1|O<2>,4|H<1>,5|C<3>}	N[5a,6](B[5,6]N[5a,6]O[5]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]H){2|C<4>,2|H<1>,3|C<3>}	N[5a,6](B[5,6]N[5a,6]O[5]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]H){2|C<4>,2|H<1>,3|C<3>}	104.3360	0.000	1	103.9260	0.336	2	103.9260	0.336	2	103.9260	0.336	2	105.6931	2.113	7	105.6931	2.113	7
786	813	813	6:SP3_SP2_SP2	B[5,6]	N[5a,6]	N[5a,6]	3:3:2:2:	4:3:3:	4:3:3:	N[5a,6]-3:N[5a,6]-3:O[5]-2:O[5]-2:	B[5,6]-4:C[5a,6]-3:C[5a]-3:	B[5,6]-4:C[5a,6]-3:C[5a]-3:	B[5,6](N[5a,6]C[5a,6]C[5a])2(O[5]C[5])2	N[5a,6](B[5,6]N[5a,6]O[5]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]H)	N[5a,6](B[5,6]N[5a,6]O[5]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]H)	B[5,6](N[5a,6]C[5a,6]C[5a])2(O[5]C[5])2{2|C<4>,4|H<1>,5|C<3>}	N[5a,6](B[5,6]N[5a,6]O[5]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]H){2|C<4>,2|H<1>,3|C<3>}	N[5a,6](B[5,6]N[5a,6]O[5]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]H){2|C<4>,2|H<1>,3|C<3>}	103.5160	0.000	1	103.9260	0.336	2	103.9260	0.336	2	103.9260	0.336	2	105.6931	2.113	7	105.6931	2.113	7
786	813	813	6:SP3_SP2_SP2	B[5,6]	N[5a,6]	N[5a,6]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:N[5a,6]-3:N[5a,6]-3:	B[5,6]-4:C[5a,6]-3:C[5a]-3:	B[5,6]-4:C[5a,6]-3:C[5a]-3:	B[5,6](C[5,6a]C[5,6a]C[6a])2(N[5a,6]C[5a,6]C[5a])2	N[5a,6](B[5,6]C[5,6a]2N[5a,6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	N[5a,6](B[5,6]C[5,6a]2N[5a,6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	B[5,6](C[5,6a]C[5,6a]C[6a])2(N[5a,6]C[5a,6]C[5a])2{2|C<4>,2|F<1>,9|C<3>}	N[5a,6](B[5,6]C[5,6a]2N[5a,6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|H<1>,2|C<4>,6|C<3>}	N[5a,6](B[5,6]C[5,6a]2N[5a,6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|H<1>,2|C<4>,6|C<3>}	107.3945	0.347	2	106.4000	0.899	5	106.4000	0.899	5	106.4000	0.899	5	105.6931	2.113	7	105.6931	2.113	7
786	813	813	6:SP3_SP2_SP2	B[5,6]	N[5a,6]	N[5a,6]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:N[5a,6]-3:N[5a,6]-3:	B[5,6]-4:C[5a,6]-3:C[5a]-3:	B[5,6]-4:C[5a,6]-3:C[5a]-3:	B[5,6](C[5,6a]C[5,6a]C[6a])2(N[5a,6]C[5a,6]C[5a])2	N[5a,6](B[5,6]C[5,6a]2N[5a,6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	N[5a,6](B[5,6]C[5,6a]2N[5a,6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	B[5,6](C[5,6a]C[5,6a]C[6a])2(N[5a,6]C[5a,6]C[5a])2{2|C<4>,2|H<1>,9|C<3>}	N[5a,6](B[5,6]C[5,6a]2N[5a,6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,7|C<3>}	N[5a,6](B[5,6]C[5,6a]2N[5a,6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,7|C<3>}	105.7710	0.000	1	106.4000	0.899	5	106.4000	0.899	5	106.4000	0.899	5	105.6931	2.113	7	105.6931	2.113	7
786	813	813	6:SP3_SP2_SP2	B[5,6]	N[5a,6]	N[5a,6]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:N[5a,6]-3:N[5a,6]-3:	B[5,6]-4:C[5a,6]-3:C[5a]-3:	B[5,6]-4:C[5a,6]-3:C[5a]-3:	B[5,6](C[5,6a]C[5,6a]C[6a])2(N[5a,6]C[5a,6]C[5a])2	N[5a,6](B[5,6]C[5,6a]2N[5a,6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	N[5a,6](B[5,6]C[5,6a]2N[5a,6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	B[5,6](C[5,6a]C[5,6a]C[6a])2(N[5a,6]C[5a,6]C[5a])2{2|C<4>,2|H<1>,9|C<3>}	N[5a,6](B[5,6]C[5,6a]2N[5a,6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|C<4>,2|H<1>,6|C<3>}	N[5a,6](B[5,6]C[5,6a]2N[5a,6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|C<4>,2|H<1>,6|C<3>}	105.7200	0.420	2	106.4000	0.899	5	106.4000	0.899	5	106.4000	0.899	5	105.6931	2.113	7	105.6931	2.113	7
786	813	976	0:SP3_SP2_SP2	B[5,6]	N[5a,6]	O[5]	3:3:2:2:	4:3:3:	4:3:	C[5,6a]-3:N[5a,6]-3:O[6]-2:O[5]-2:	B[5,6]-4:C[5a,6]-3:C[5a,6]-3:	B[5,6]-4:B[5]-3:	B[5,6](C[5,6a]C[5,6a]C[6a])(N[5a,6]C[5a,6]2)(O[6]C[6,6a])(O[5]B[5])	N[5a,6](B[5,6]C[5,6a]O[5]O[6])(C[5a,6]C[6,6a]C[5a])(C[5a,6]N[5a,6]C[6])	O[5](B[5,6]C[5,6a]N[5a,6]O[6])(B[5]C[5,6a]O)	B[5,6](C[5,6a]C[5,6a]C[6a])(N[5a,6]C[5a,6]2)(O[6]C[6,6a])(O[5]B[5]){1|H<1>,1|N<3>,1|O<2>,6|C<3>}	N[5a,6](B[5,6]C[5,6a]O[5]O[6])(C[5a,6]C[6,6a]C[5a])(C[5a,6]N[5a,6]C[6]){1|B<3>,2|H<1>,6|C<3>}	O[5](B[5,6]C[5,6a]N[5a,6]O[6])(B[5]C[5,6a]O){5|C<3>}	107.5010	2.309	2	107.5010	5.333	2	107.5010	5.333	2	107.5010	5.333	2	107.5010	5.333	2	107.5010	5.333	2
786	813	976	0:SP3_SP2_SP3	B[5,6]	N[5a,6]	O[5]	3:3:2:2:	4:3:3:	4:4:	N[5a,6]-3:N[5a,6]-3:O[5]-2:O[5]-2:	B[5,6]-4:C[5a,6]-3:C[5a]-3:	B[5,6]-4:C[5]-4:	B[5,6](N[5a,6]C[5a,6]C[5a])2(O[5]C[5])2	N[5a,6](B[5,6]N[5a,6]O[5]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]H)	O[5](B[5,6]N[5a,6]2O[5])(C[5]C[5]2H)	B[5,6](N[5a,6]C[5a,6]C[5a])2(O[5]C[5])2{1|C<4>,1|O<2>,4|H<1>,5|C<3>}	N[5a,6](B[5,6]N[5a,6]O[5]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]H){2|C<4>,2|H<1>,3|C<3>}	O[5](B[5,6]N[5a,6]2O[5])(C[5]C[5]2H){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	110.5765	1.866	2	110.9008	7.237	4	111.6453	5.098	8	111.6453	5.098	8	111.6453	5.098	8	111.6453	5.098	8
786	813	976	0:SP3_SP2_SP3	B[5,6]	N[5a,6]	O[5]	3:3:2:2:	4:3:3:	4:4:	N[5a,6]-3:N[5a,6]-3:O[5]-2:O[5]-2:	B[5,6]-4:C[5a,6]-3:C[5a]-3:	B[5,6]-4:C[5]-4:	B[5,6](N[5a,6]C[5a,6]C[5a])2(O[5]C[5])2	N[5a,6](B[5,6]N[5a,6]O[5]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]H)	O[5](B[5,6]N[5a,6]2O[5])(C[5]C[5]2H)	B[5,6](N[5a,6]C[5a,6]C[5a])2(O[5]C[5])2{2|C<4>,4|H<1>,5|C<3>}	N[5a,6](B[5,6]N[5a,6]O[5]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]H){2|C<4>,2|H<1>,3|C<3>}	O[5](B[5,6]N[5a,6]2O[5])(C[5]C[5]2H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	111.2250	4.220	2	110.9008	7.237	4	111.6453	5.098	8	111.6453	5.098	8	111.6453	5.098	8	111.6453	5.098	8
786	813	976	0:SP3_SP2_SP3	B[5,6]	N[5a,6]	O[5]	3:3:2:2:	4:3:3:	4:4:	N[5a,6]-3:N[5a,6]-3:O[5]-2:O[5]-2:	B[5,6]-4:C[5a,6]-3:C[5a]-3:	B[5,6]-4:C[5]-4:	B[5,6](N[5a,6]C[5a,6]C[5a])2(O[5]C[5])2	N[5a,6](B[5,6]N[5a,6]O[5]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]H)	O[5](B[5,6]N[5a,6]2O[5])(C[5]C[5]CH)	B[5,6](N[5a,6]C[5a,6]C[5a])2(O[5]C[5])2{2|C<4>,4|H<1>,5|C<3>}	N[5a,6](B[5,6]N[5a,6]O[5]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]H){2|C<4>,2|H<1>,3|C<3>}	O[5](B[5,6]N[5a,6]2O[5])(C[5]C[5]CH){1|C<4>,1|H<1>,4|C<3>}	112.1875	1.949	2	112.1875	3.801	2	111.6453	5.098	8	111.6453	5.098	8	111.6453	5.098	8	111.6453	5.098	8
786	813	976	0:SP3_SP2_SP3	B[5,6]	N[5a,6]	O[5]	3:3:2:2:	4:3:3:	4:4:	N[5a,6]-3:N[5a,6]-3:O[5]-2:O[5]-2:	B[5,6]-4:C[5a,6]-3:C[5a]-3:	B[5,6]-4:C[5]-4:	B[5,6](N[5a,6]C[5a,6]C[5a])2(O[5]C[5])2	N[5a,6](B[5,6]N[5a,6]O[5]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]H)	O[5](B[5,6]N[5a,6]2O[5])(C[5]C[5]HO)	B[5,6](N[5a,6]C[5a,6]C[5a])2(O[5]C[5])2{1|C<4>,1|O<2>,4|H<1>,5|C<3>}	N[5a,6](B[5,6]N[5a,6]O[5]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]H){2|C<4>,2|H<1>,3|C<3>}	O[5](B[5,6]N[5a,6]2O[5])(C[5]C[5]HO){1|C<4>,1|H<1>,4|C<3>}	112.5920	2.362	2	112.5920	5.578	2	111.6453	5.098	8	111.6453	5.098	8	111.6453	5.098	8	111.6453	5.098	8
786	818	818	0:SP3_SP2_SP2	B[5,5]	C[5]	C[5]	3:3:3:3:	3:4:3:	3:4:3:	C[5]-3:C[5]-3:C[5]-3:C[5]-3:	C[5]-3:B[5,5]-4:C[6a]-3:	C[5]-3:B[5,5]-4:C[6a]-3:	B[5,5](C[5]C[6a]C[5])4	C[5](C[5]C[6a]C[5])(B[5,5]C[5]3)(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(B[5,5]C[5]3)(C[6a]C[6a]2)	B[5,5](C[5]C[6a]C[5])4{12|C<3>}	C[5](C[5]C[6a]C[5])(B[5,5]C[5]3)(C[6a]C[6a]2){10|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5])(B[5,5]C[5]3)(C[6a]C[6a]2){10|C<3>,2|H<1>}	113.3615	8.407	8	113.3615	70.672	8	113.3615	70.672	8	113.3615	70.672	8	113.3615	70.672	8	114.9570	79.800	11
786	818	818	0:SP3_SP2_SP2	B[5]	C[5]	C[5]	3:3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:C[5]-3:H-1:	C[5]-3:C[6a]-3:B[5]-4:	N[5]-3:N[5]-3:B[5]-4:	B[5](C[5]C[6a]C[5])2(C[5]N[5]2)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(B[5]C[5]2H)	C[5](N[5]C[6a]C[5])2(B[5]C[5]2H)	B[5](C[5]C[6a]C[5])2(C[5]N[5]2)(H){2|C<4>,8|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(B[5]C[5]2H){2|H<1>,2|N<3>,6|C<3>}	C[5](N[5]C[6a]C[5])2(B[5]C[5]2H){4|H<1>,8|C<3>}	113.4890	5.668	2	113.4890	32.128	2	113.4890	32.128	2	113.4890	32.128	2	119.2117	114.311	3	114.9570	79.800	11
786	818	818	0:SP3_SP2_SP2	B[5]	C[5]	C[5]	3:3:3:1:	4:3:4:	4:3:1:	B[5]-3:C[5]-3:C[5]-3:H-1:	B[5]-4:N[5]-3:C[5]-4:	B[5]-4:C[5]-3:H-1:	B[5](B[5]C[5]O[5])(C[5]C[5]N[5])(C[5]C[5]H)(H)	C[5](B[5]B[5]C[5]H)(N[5]C[6a]C[5])(C[5]C[5]CC)	C[5](B[5]B[5]C[5]H)(C[5]O[5]C)(H)	B[5](B[5]C[5]O[5])(C[5]C[5]N[5])(C[5]C[5]H)(H){1|C<3>,1|H<1>,1|N<3>,6|C<4>}	C[5](B[5]B[5]C[5]H)(N[5]C[6a]C[5])(C[5]C[5]CC){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[5](B[5]B[5]C[5]H)(C[5]O[5]C)(H){1|N<3>,2|C<4>}	130.6570	0.000	1	130.6570	0.000	1	130.6570	0.000	1	130.6570	0.000	1	119.2117	114.311	3	114.9570	79.800	11
786	818	818	5:SP3_SP2_SP2	B[5,5]	C[5]	C[5]	3:3:3:3:	3:4:3:	3:4:3:	C[5]-3:C[5]-3:C[5]-3:C[5]-3:	C[5]-3:B[5,5]-4:C[6a]-3:	C[5]-3:B[5,5]-4:C[6a]-3:	B[5,5](C[5]C[6a]C[5])4	C[5](C[5]C[6a]C[5])(B[5,5]C[5]3)(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(B[5,5]C[5]3)(C[6a]C[6a]2)	B[5,5](C[5]C[6a]C[5])4{12|C<3>}	C[5](C[5]C[6a]C[5])(B[5,5]C[5]3)(C[6a]C[6a]2){10|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5])(B[5,5]C[5]3)(C[6a]C[6a]2){10|C<3>,2|H<1>}	101.2483	2.021	4	101.2483	4.085	4	101.2483	4.085	4	101.2483	4.085	4	101.2483	4.085	4	100.9108	4.738	22
786	818	818	5:SP3_SP2_SP2	B[5]	C[5]	C[5]	3:3:3:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:C[5]-3:H-1:	C[5]-3:C[6a]-3:B[5]-4:	C[5]-3:C[6a]-3:B[5]-4:	B[5](C[5]C[6a]C[5])2(C[5]N[5]2)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(B[5]C[5]2H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(B[5]C[5]2H)	B[5](C[5]C[6a]C[5])2(C[5]N[5]2)(H){2|C<4>,8|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(B[5]C[5]2H){2|H<1>,2|N<3>,6|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(B[5]C[5]2H){2|H<1>,2|N<3>,6|C<3>}	99.8057	0.000	1	99.8057	0.000	1	99.8057	0.000	1	99.8057	0.000	1	100.8359	5.099	18	100.9108	4.738	22
786	818	818	5:SP3_SP2_SP2	B[5]	C[5]	C[5]	3:3:3:1:	4:3:3:	4:3:3:	C[5]-3:C[5]-3:N[6]-3:Cl-1:	B[5]-4:C[5]-3:C[6a]-3:	B[5]-4:C[5]-3:C[6a]-3:	B[5](C[5]C[6a]C[5])2(N[6]C[6]2)(Cl)	C[5](B[5]C[5]N[6]Cl)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](B[5]C[5]N[6]Cl)(C[5]C[6a]C[5])(C[6a]C[6a]2)	B[5](C[5]C[6a]C[5])2(N[6]C[6]2)(Cl){2|H<1>,8|C<3>}	C[5](B[5]C[5]N[6]Cl)(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[5](B[5]C[5]N[6]Cl)(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,8|C<3>}	102.0170	0.000	1	102.0170	0.000	1	102.0170	0.000	1	102.0170	0.000	1	100.8359	5.099	18	100.9108	4.738	22
786	818	818	5:SP3_SP2_SP2	B[5]	C[5]	C[5]	3:3:3:2:	4:3:3:	4:3:3:	C[5]-3:C[5]-3:C[6a]-3:C-2:	B[5]-4:C[5]-3:C[6a]-3:	B[5]-4:C[5]-3:C[6a]-3:	B[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)(CO)	C[5](B[5]C[6a]C[5]C)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](B[5]C[6a]C[5]C)(C[5]C[6a]C[5])(C[6a]C[6a]2)	B[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)(CO){2|F<1>,8|C<3>}	C[5](B[5]C[6a]C[5]C)(C[5]C[6a]C[5])(C[6a]C[6a]2){2|F<1>,8|C<3>}	C[5](B[5]C[6a]C[5]C)(C[5]C[6a]C[5])(C[6a]C[6a]2){2|F<1>,8|C<3>}	100.0060	0.000	1	100.0060	0.000	1	100.0060	0.000	1	100.3020	0.175	2	100.8359	5.099	18	100.9108	4.738	22
786	818	818	5:SP3_SP2_SP2	B[5]	C[5]	C[5]	3:3:3:2:	4:3:3:	4:3:3:	C[5]-3:C[5]-3:C[6a]-3:O-2:	B[5]-4:C[5]-3:C[6a]-3:	B[5]-4:C[5]-3:C[6a]-3:	B[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)(OP)	C[5](B[5]C[6a]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](B[5]C[6a]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2)	B[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)(OP){2|H<1>,8|C<3>}	C[5](B[5]C[6a]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[5](B[5]C[6a]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,8|C<3>}	100.5980	0.000	1	100.5980	0.000	1	100.5980	0.000	1	100.3020	0.175	2	100.8359	5.099	18	100.9108	4.738	22
786	818	818	5:SP3_SP2_SP2	B[5]	C[5]	C[5]	3:3:3:3:	3:4:3:	3:4:3:	C[5]-3:C[5]-3:C[6a]-3:N[6]-3:	C[5,6a]-3:B[5]-4:C-3:	C[5,6a]-3:B[5]-4:C-3:	B[5](C[5]C[5,6a]C)2(C[6a]C[6a]2)(N[6]C[6]2)	C[5](C[5,6a]C[5,6a]C[6a])(B[5]C[6a]C[5]N[6])(CCH)	C[5](C[5,6a]C[5,6a]C[6a])(B[5]C[6a]C[5]N[6])(CCH)	B[5](C[5]C[5,6a]C)2(C[6a]C[6a]2)(N[6]C[6]2){1|C<4>,3|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(B[5]C[6a]C[5]N[6])(CCH){1|H<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(B[5]C[6a]C[5]N[6])(CCH){1|H<1>,7|C<3>}	101.1790	0.000	1	101.1790	0.000	1	101.1790	0.000	1	101.1790	0.000	1	100.8359	5.099	18	100.9108	4.738	22
786	818	818	5:SP3_SP2_SP2	B[5]	C[5]	C[5]	3:3:3:3:	4:3:3:	4:2:3:	C[5]-3:C[6a]-3:C[6a]-3:C[5]-3:	B[5]-4:C[6a]-3:C[5]-3:	B[5]-4:S[5]-2:C-3:	B[5](C[5]C[6a]C[5])(C[6a]C[6a]2)2(C[5]S[5]C)	C[5](B[5]C[6a]2C[5])(C[6a]C[6a]2)(C[5]S[5]C)	C[5](B[5]C[6a]2C[5])(S[5]C[5])(CCC)	B[5](C[5]C[6a]C[5])(C[6a]C[6a]2)2(C[5]S[5]C){1|C<4>,4|F<1>,6|C<3>}	C[5](B[5]C[6a]2C[5])(C[6a]C[6a]2)(C[5]S[5]C){2|F<1>,7|C<3>}	C[5](B[5]C[6a]2C[5])(S[5]C[5])(CCC){1|C<4>,5|C<3>}	103.3390	0.000	1	103.3390	0.000	1	103.3390	0.000	1	103.3390	0.000	1	100.8359	5.099	18	100.9108	4.738	22
786	818	818	5:SP3_SP2_SP2	B[5]	C[5]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[6a]-3:C[6a]-3:C[5]-3:C[5]-3:	B[5]-4:S[5]-3:C-3:	B[5]-4:C[5]-3:H-1:	B[5](C[6a]C[6a]2)2(C[5]C[5]H)(C[5]S[5]C)	C[5](B[5]C[6a]2C[5])(S[5]C[6a]C[5])(CCH)	C[5](B[5]C[6a]2C[5])(C[5]C[6a]S[5])(H)	B[5](C[6a]C[6a]2)2(C[5]C[5]H)(C[5]S[5]C){4|F<1>,6|C<3>}	C[5](B[5]C[6a]2C[5])(S[5]C[6a]C[5])(CCH){1|H<1>,7|C<3>}	C[5](B[5]C[6a]2C[5])(C[5]C[6a]S[5])(H){8|C<3>}	102.5740	0.358	2	102.5740	0.128	2	102.5740	0.128	2	102.5740	0.128	2	100.8359	5.099	18	100.9108	4.738	22
786	818	818	5:SP3_SP2_SP2	B[5]	C[5]	C[5]	3:3:3:3:	4:3:3:	4:3:3:	C[5]-3:C[5]-3:N[6]-3:N[6]-3:	B[5]-4:C[5]-3:C[6a]-3:	B[5]-4:C[5]-3:C[6a]-3:	B[5](C[5]C[6a]C[5])2(N[6]C[6]2)2	C[5](B[5]C[5]N[6]2)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](B[5]C[5]N[6]2)(C[5]C[6a]C[5])(C[6a]C[6a]2)	B[5](C[5]C[6a]C[5])2(N[6]C[6]2)2{10|C<3>,4|H<1>}	C[5](B[5]C[5]N[6]2)(C[5]C[6a]C[5])(C[6a]C[6a]2){10|C<3>,2|H<1>}	C[5](B[5]C[5]N[6]2)(C[5]C[6a]C[5])(C[6a]C[6a]2){10|C<3>,2|H<1>}	101.7860	0.000	1	101.7860	0.000	1	101.7860	0.000	1	100.7785	2.030	2	100.8359	5.099	18	100.9108	4.738	22
786	818	818	5:SP3_SP2_SP2	B[5]	C[5]	C[5]	3:3:3:3:	4:3:3:	4:3:3:	C[5a]-3:C[5]-3:C[5]-3:N[6]-3:	B[5]-4:C[5]-3:C[6a]-3:	B[5]-4:C[5]-3:C[6a]-3:	B[5](C[5a]C[5a]S[5a])(C[5]C[6a]C[5])2(N[6]C[6]2)	C[5](B[5]C[5a]C[5]N[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](B[5]C[5a]C[5]N[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)	B[5](C[5a]C[5a]S[5a])(C[5]C[6a]C[5])2(N[6]C[6]2){10|C<3>,3|H<1>}	C[5](B[5]C[5a]C[5]N[6])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|S<2>,2|H<1>,9|C<3>}	C[5](B[5]C[5a]C[5]N[6])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|S<2>,2|H<1>,9|C<3>}	99.7710	0.000	1	99.7710	0.000	1	99.7710	0.000	1	100.7785	2.030	2	100.8359	5.099	18	100.9108	4.738	22
786	818	818	5:SP3_SP2_SP2	B[5]	C[5]	C[5]	3:3:3:3:	4:3:4:	4:3:4:	C[6a]-3:C[5]-3:C[5]-3:N[6]-3:	B[5]-4:C[5]-3:Si-4:	B[5]-4:C[5]-3:Si-4:	B[5](C[6a]C[6a]2)(C[5]C[5]Si)2(N[6]C[6]2)	C[5](B[5]C[6a]C[5]N[6])(C[5]C[6a]C[5])(SiC3)	C[5](B[5]C[6a]C[5]N[6])(C[5]C[5]B)(SiC3)	B[5](C[6a]C[6a]2)(C[5]C[5]Si)2(N[6]C[6]2){1|B<4>,4|H<1>,5|C<3>}	C[5](B[5]C[6a]C[5]N[6])(C[5]C[6a]C[5])(SiC3){1|Si<4>,1|B<4>,6|C<3>}	C[5](B[5]C[6a]C[5]N[6])(C[5]C[5]B)(SiC3){1|Si<4>,5|C<3>}	101.3960	0.000	1	101.3960	0.000	1	101.3960	0.000	1	101.3960	0.000	1	100.8359	5.099	18	100.9108	4.738	22
786	818	818	5:SP3_SP2_SP2	B[5]	C[5]	C[5]	3:3:3:3:	4:4:2:	4:3:4:	C[6a]-3:C[6a]-3:C[5]-3:C[5]-3:	B[5]-4:P[5]-4:N-2:	B[5]-4:C[5]-3:C-4:	B[5](C[6a]C[6a]2)2(C[5]C[5]C)(C[5]P[5]N)	C[5](B[5]C[6a]2C[5])(P[5]C[6a]2C[5])(NC)	C[5](B[5]C[6a]2C[5])(C[5]P[5]Si)(CCHH)	B[5](C[6a]C[6a]2)2(C[5]C[5]C)(C[5]P[5]N){1|Si<4>,4|F<1>,6|C<3>}	C[5](B[5]C[6a]2C[5])(P[5]C[6a]2C[5])(NC){1|Si<4>,1|C<4>,8|C<3>}	C[5](B[5]C[6a]2C[5])(C[5]P[5]Si)(CCHH){1|N<2>,6|C<3>}	100.0423	0.099	2	100.0423	0.010	2	100.0423	0.010	2	100.0423	0.010	2	100.8359	5.099	18	100.9108	4.738	22
786	818	818	5:SP3_SP2_SP2	B[5]	C[5]	C[5]	3:3:3:3:	4:4:3:	3:4:3:	C[5]-3:C[5]-3:C[6a]-3:C[6a]-3:	C[4,5]-4:B[5]-4:N[6]-3:	C[4,5]-3:B[5]-4:N[6]-3:	B[5](C[5]C[4,5]N[6])2(C[6a]C[6a]2)2	C[5](C[4,5]C[4,5]B[4]N[6])(B[5]C[6a]2C[5])(N[6]C[6]2)	C[5](C[4,5]C[4,5]N[4,6])(B[5]C[6a]2C[5])(N[6]C[6]2)	B[5](C[5]C[4,5]N[6])2(C[6a]C[6a]2)2{1|B<4>,1|N<3>,1|N<4>,4|C<3>,8|C<4>}	C[5](C[4,5]C[4,5]B[4]N[6])(B[5]C[6a]2C[5])(N[6]C[6]2){1|N<3>,1|N<4>,2|F<1>,4|C<3>,4|C<4>,4|H<1>}	C[5](C[4,5]C[4,5]N[4,6])(B[5]C[6a]2C[5])(N[6]C[6]2){1|B<4>,2|N<3>,4|C<3>,4|C<4>,4|H<1>}	93.1681	0.000	1	93.1681	0.000	1	93.1681	0.000	1	93.1681	0.000	1	100.8359	5.099	18	100.9108	4.738	22
786	818	818	5:SP3_SP2_SP2	B[5]	C[5]	C[5]	3:3:3:3:	4:4:3:	4:3:1:	C[6a]-3:C[6a]-3:C[5]-3:C[5]-3:	B[5]-4:P[5]-4:C-3:	B[5]-4:C[5]-3:H-1:	B[5](C[6a]C[6a]2)2(C[5]C[5]H)(C[5]P[5]C)	C[5](B[5]C[6a]2C[5])(P[5]C[6a]2C[5])(CCH)	C[5](B[5]C[6a]2C[5])(C[5]P[5]C)(H)	B[5](C[6a]C[6a]2)2(C[5]C[5]H)(C[5]P[5]C){1|C<4>,4|F<1>,6|C<3>}	C[5](B[5]C[6a]2C[5])(P[5]C[6a]2C[5])(CCH){1|C<4>,1|H<1>,8|C<3>}	C[5](B[5]C[6a]2C[5])(C[5]P[5]C)(H){7|C<3>}	102.8680	0.173	2	102.8680	0.030	2	102.8680	0.030	2	102.8680	0.030	2	100.8359	5.099	18	100.9108	4.738	22
786	818	818	5:SP3_SP2_SP2	B[5]	C[5]	C[5]	3:3:3:4:	4:3:3:	4:3:3:	C[5]-3:C[5]-3:C[6a]-3:P-4:	B[5]-4:C[5]-3:C[6a]-3:	B[5]-4:C[5]-3:C[6a]-3:	B[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)(PC[6a]HH)	C[5](B[5]C[6a]C[5]P)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](B[5]C[6a]C[5]P)(C[5]C[6a]C[5])(C[6a]C[6a]2)	B[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)(PC[6a]HH){2|H<1>,8|C<3>}	C[5](B[5]C[6a]C[5]P)(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[5](B[5]C[6a]C[5]P)(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,8|C<3>}	100.4530	0.000	1	100.4530	0.000	1	100.4530	0.000	1	100.4530	0.000	1	100.8359	5.099	18	100.9108	4.738	22
786	818	818	5:SP3_SP2_SP2	B[5]	C[5]	C[5]	3:3:4:3:	4:3:3:	4:3:3:	C[5]-3:C[5]-3:C[5]-4:N[6]-3:	B[5]-4:C[5]-3:C[6a]-3:	B[5]-4:C[5]-3:C[6a]-3:	B[5](C[5]C[6a]C[5])2(C[5]C[5]2Mn)(N[6]C[6]2)	C[5](B[5]C[5]2N[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](B[5]C[5]2N[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)	B[5](C[5]C[6a]C[5])2(C[5]C[5]2Mn)(N[6]C[6]2){2|C<4>,4|H<1>,8|C<3>}	C[5](B[5]C[5]2N[6])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|Mn<8>,2|C<4>,2|H<1>,8|C<3>}	C[5](B[5]C[5]2N[6])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|Mn<8>,2|C<4>,2|H<1>,8|C<3>}	100.5580	0.000	1	100.5580	0.000	1	100.5580	0.000	1	100.5580	0.000	1	100.8359	5.099	18	100.9108	4.738	22
786	818	818	6:SP3_SP2_SP2	B[5,5,6]	C[5,6]	C[5,6]	4:3:3:3:	4:3:1:	4:3:1:	C[5,5]-4:C[5,6]-3:C[5,6]-3:C[6a]-3:	B[5,5,6]-4:C[5,6]-3:H-1:	B[5,5,6]-4:C[5,6]-3:H-1:	B[5,5,6](C[5,5]P[5,5,6]CH)(C[5,6]C[5,6]H)2(C[6a]C[6a]2)	C[5,6](B[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]P[5,5,6]C[6a])(H)	C[5,6](B[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]P[5,5,6]C[6a])(H)	B[5,5,6](C[5,5]P[5,5,6]CH)(C[5,6]C[5,6]H)2(C[6a]C[6a]2){2|F<1>,5|C<3>}	C[5,6](B[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]P[5,5,6]C[6a])(H){1|C<4>,2|H<1>,6|C<3>}	C[5,6](B[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]P[5,5,6]C[6a])(H){1|C<4>,2|H<1>,6|C<3>}	108.3880	0.502	2	108.3880	0.252	2	108.3880	0.252	2	108.3880	0.252	2	108.3880	0.252	2	108.3880	0.252	2
786	818	830	0:SP3_SP-NON_SP2	B[5]	C[5]	F	3:2:2:1:	4:3:3:	4:	C[5]-3:O[5]-2:O[5]-2:F-1:	B[5]-4:N[5]-3:N[5]-3:	B[5]-4:	B[5](C[5]N[5]2)(O[5]C[5])2(F)	C[5](B[5]O[5]2F)(N[5]C[5]C)2	F(B[5]C[5]O[5]2)	B[5](C[5]N[5]2)(O[5]C[5])2(F){2|C<3>,6|C<4>}	C[5](B[5]O[5]2F)(N[5]C[5]C)2{2|C<4>,2|H<1>}	F(B[5]C[5]O[5]2)	104.5200	0.000	1	104.5200	0.000	1	104.5200	0.000	1	104.5200	0.000	1	104.5200	0.000	1	104.5200	0.000	1
786	818	856	0:SP3_SP2_SP2	B[5]	C[5,6]	N[6]	3:3:3:4:	3:4:2:	4:3:3:	C[5,6a]-3:C[5,6]-3:N[6]-3:C-4:	C[5,6]-3:B[5]-4:C[6]-2:	B[5]-4:C[6]-3:C[6]-3:	B[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(N[6]C[6]2)(CC[6]HH)	C[5,6](C[5,6]C[5,6a]C[6])(B[5]C[5,6a]N[6]C)(C[6]C[6])	N[6](B[5]C[5,6a]C[5,6]C)(C[6]C[6]C)(C[6]C[6]H)	B[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(N[6]C[6]2)(CC[6]HH){1|C<4>,2|H<1>,6|C<3>}	C[5,6](C[5,6]C[5,6a]C[6])(B[5]C[5,6a]N[6]C)(C[6]C[6]){2|H<1>,5|C<3>}	N[6](B[5]C[5,6a]C[5,6]C)(C[6]C[6]C)(C[6]C[6]H){1|C<2>,2|H<1>,4|C<3>}	106.9930	0.000	1	106.9930	0.000	1	106.9930	0.000	1	106.9930	0.000	1	106.9930	0.000	1	110.3074	10.931	13
786	818	856	0:SP3_SP2_SP2	B[5]	C[5]	N[6]	3:3:3:1:	4:3:3:	4:3:3:	C[5]-3:C[5]-3:N[6]-3:Cl-1:	B[5]-4:C[5]-3:C[6a]-3:	B[5]-4:C[6]-3:C[6]-3:	B[5](C[5]C[6a]C[5])2(N[6]C[6]2)(Cl)	C[5](B[5]C[5]N[6]Cl)(C[5]C[6a]C[5])(C[6a]C[6a]2)	N[6](B[5]C[5]2Cl)(C[6]C[6]H)2	B[5](C[5]C[6a]C[5])2(N[6]C[6]2)(Cl){2|H<1>,8|C<3>}	C[5](B[5]C[5]N[6]Cl)(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,8|C<3>}	N[6](B[5]C[5]2Cl)(C[6]C[6]H)2{2|H<1>,5|C<3>}	111.6410	3.278	2	111.6410	10.746	2	111.6410	10.746	2	111.6410	10.746	2	110.5836	10.843	12	110.3074	10.931	13
786	818	856	0:SP3_SP2_SP2	B[5]	C[5]	N[6]	3:3:3:3:	3:4:3:	4:3:3:	C[5]-3:C[5]-3:C[6a]-3:N[6]-3:	C[5,6a]-3:B[5]-4:C-3:	B[5]-4:C[6]-3:C[6]-3:	B[5](C[5]C[5,6a]C)2(C[6a]C[6a]2)(N[6]C[6]2)	C[5](C[5,6a]C[5,6a]C[6a])(B[5]C[6a]C[5]N[6])(CCH)	N[6](B[5]C[6a]C[5]2)(C[6]C[6]H)2	B[5](C[5]C[5,6a]C)2(C[6a]C[6a]2)(N[6]C[6]2){1|C<4>,3|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(B[5]C[6a]C[5]N[6])(CCH){1|H<1>,7|C<3>}	N[6](B[5]C[6a]C[5]2)(C[6]C[6]H)2{2|H<1>,7|C<3>}	106.1730	1.307	2	106.1730	1.708	2	106.1730	1.708	2	106.1730	1.708	2	110.5836	10.843	12	110.3074	10.931	13
786	818	856	0:SP3_SP2_SP2	B[5]	C[5]	N[6]	3:3:3:3:	4:3:3:	4:3:3:	C[5]-3:C[5]-3:N[6]-3:N[6]-3:	B[5]-4:C[5]-3:C[6a]-3:	B[5]-4:C[6]-3:C[6]-3:	B[5](C[5]C[6a]C[5])2(N[6]C[6]2)2	C[5](B[5]C[5]N[6]2)(C[5]C[6a]C[5])(C[6a]C[6a]2)	N[6](B[5]C[5]2N[6])(C[6]C[6]H)2	B[5](C[5]C[6a]C[5])2(N[6]C[6]2)2{10|C<3>,4|H<1>}	C[5](B[5]C[5]N[6]2)(C[5]C[6a]C[5])(C[6a]C[6a]2){10|C<3>,2|H<1>}	N[6](B[5]C[5]2N[6])(C[6]C[6]H)2{2|H<1>,7|C<3>}	111.0685	2.429	2	111.0685	5.900	2	111.0685	5.900	2	112.8473	7.983	4	110.5836	10.843	12	110.3074	10.931	13
786	818	856	0:SP3_SP2_SP2	B[5]	C[5]	N[6]	3:3:3:3:	4:3:3:	4:3:3:	C[5a]-3:C[5]-3:C[5]-3:N[6]-3:	B[5]-4:C[5]-3:C[6a]-3:	B[5]-4:C[6]-3:C[6]-3:	B[5](C[5a]C[5a]S[5a])(C[5]C[6a]C[5])2(N[6]C[6]2)	C[5](B[5]C[5a]C[5]N[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)	N[6](B[5]C[5a]C[5]2)(C[6]C[6]H)2	B[5](C[5a]C[5a]S[5a])(C[5]C[6a]C[5])2(N[6]C[6]2){10|C<3>,3|H<1>}	C[5](B[5]C[5a]C[5]N[6])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|S<2>,2|H<1>,9|C<3>}	N[6](B[5]C[5a]C[5]2)(C[6]C[6]H)2{1|S<2>,2|H<1>,6|C<3>}	114.6260	2.322	2	114.6260	5.392	2	114.6260	5.392	2	112.8473	7.983	4	110.5836	10.843	12	110.3074	10.931	13
786	818	856	0:SP3_SP2_SP2	B[5]	C[5]	N[6]	3:3:3:3:	4:3:4:	4:3:3:	C[6a]-3:C[5]-3:C[5]-3:N[6]-3:	B[5]-4:C[5]-3:Si-4:	B[5]-4:C[6]-3:C[6]-3:	B[5](C[6a]C[6a]2)(C[5]C[5]Si)2(N[6]C[6]2)	C[5](B[5]C[6a]C[5]N[6])(C[5]C[5]B)(SiC3)	N[6](B[5]C[6a]C[5]2)(C[6]C[6]H)2	B[5](C[6a]C[6a]2)(C[5]C[5]Si)2(N[6]C[6]2){1|B<4>,4|H<1>,5|C<3>}	C[5](B[5]C[6a]C[5]N[6])(C[5]C[5]B)(SiC3){1|Si<4>,5|C<3>}	N[6](B[5]C[6a]C[5]2)(C[6]C[6]H)2{2|Si<4>,2|H<1>,5|C<3>}	111.5300	0.000	1	111.5300	0.000	1	108.8795	14.050	2	108.8795	14.050	2	110.5836	10.843	12	110.3074	10.931	13
786	818	856	0:SP3_SP2_SP2	B[5]	C[5]	N[6]	3:3:3:3:	4:3:4:	4:3:3:	C[6a]-3:C[5]-3:C[5]-3:N[6]-3:	B[5]-4:C[5]-3:Si-4:	B[5]-4:C[6]-3:C[6]-3:	B[5](C[6a]C[6a]2)(C[5]C[5]Si)2(N[6]C[6]2)	C[5](B[5]C[6a]C[5]N[6])(C[5]C[6a]C[5])(SiC3)	N[6](B[5]C[6a]C[5]2)(C[6]C[6]H)2	B[5](C[6a]C[6a]2)(C[5]C[5]Si)2(N[6]C[6]2){1|B<4>,4|H<1>,5|C<3>}	C[5](B[5]C[6a]C[5]N[6])(C[5]C[6a]C[5])(SiC3){1|Si<4>,1|B<4>,6|C<3>}	N[6](B[5]C[6a]C[5]2)(C[6]C[6]H)2{2|Si<4>,2|H<1>,5|C<3>}	106.2290	0.000	1	106.2290	0.000	1	108.8795	14.050	2	108.8795	14.050	2	110.5836	10.843	12	110.3074	10.931	13
786	818	856	0:SP3_SP2_SP2	B[5]	C[5]	N[6]	3:3:4:3:	4:3:3:	4:3:3:	C[5]-3:C[5]-3:C[5]-4:N[6]-3:	B[5]-4:C[5]-3:C[6a]-3:	B[5]-4:C[6]-3:C[6]-3:	B[5](C[5]C[6a]C[5])2(C[5]C[5]2Mn)(N[6]C[6]2)	C[5](B[5]C[5]2N[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)	N[6](B[5]C[5]3)(C[6]C[6]H)2	B[5](C[5]C[6a]C[5])2(C[5]C[5]2Mn)(N[6]C[6]2){2|C<4>,4|H<1>,8|C<3>}	C[5](B[5]C[5]2N[6])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|Mn<8>,2|C<4>,2|H<1>,8|C<3>}	N[6](B[5]C[5]3)(C[6]C[6]H)2{1|Mn<8>,2|C<4>,2|H<1>,5|C<3>}	111.1135	0.900	2	111.1135	0.810	2	111.1135	0.810	2	111.1135	0.810	2	110.5836	10.843	12	110.3074	10.931	13
786	818	893	0:SP3_SP2_SP3	B[5]	C[5]	O	3:2:2:2:	4:3:3:	4:4:	C[5]-3:O[5]-2:O[5]-2:O-2:	B[5]-4:N[5]-3:N[5]-3:	B[5]-4:C-4:	B[5](C[5]N[5]2)(O[5]C[5])2(OC)	C[5](B[5]O[5]2O)(N[5]C[5]C)2	O(B[5]C[5]O[5]2)(CCHH)	B[5](C[5]N[5]2)(O[5]C[5])2(OC){2|C<3>,2|C<4>,4|H<1>}	C[5](B[5]O[5]2O)(N[5]C[5]C)2{2|C<4>,2|H<1>}	O(B[5]C[5]O[5]2)(CCHH)	108.8470	0.533	2	108.8470	0.284	2	108.8470	0.284	2	108.8470	0.284	2	111.7950	13.964	4	111.7950	13.964	4
786	818	893	0:SP3_SP2_SP3	B[5]	C[5]	O	3:3:3:2:	4:3:3:	4:4:	C[5]-3:C[5]-3:C[6a]-3:O-2:	B[5]-4:C[5]-3:C[6a]-3:	B[5]-4:P-4:	B[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)(OP)	C[5](B[5]C[6a]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2)	O(B[5]C[6a]C[5]2)(PC3)	B[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)(OP){2|H<1>,8|C<3>}	C[5](B[5]C[6a]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,8|C<3>}	O(B[5]C[6a]C[5]2)(PC3)	114.7430	2.616	2	114.7430	6.845	2	114.7430	6.845	2	114.7430	6.845	2	111.7950	13.964	4	111.7950	13.964	4
786	818	916	0:SP3_SP2_SP3	B[5,6,6]	C[5]	O[5,6,6]	3:3:3:3:	4:3:3:	4:4:3:	O[5,6]-3:O[5,6]-3:O[5,6,6]-3:C[5]-3:	B[5,6,6]-4:C[5]-3:C[6a]-3:	B[5,6,6]-4:B[5,6]-4:B[5,6]-3:	B[5,6,6](O[5,6]B[5,6]B[5])2(O[5,6,6]B[5,6]2)(C[5]C[6a]C[5])	C[5](B[5,6,6]O[5,6,6]O[5,6]2)(C[5]C[6a]B[5])(C[6a]C[6a]2)	O[5,6,6](B[5,6,6]O[5,6]2C[5])(B[5,6]O[5,6]C[5]Cl)(B[5,6]C[5]O[6])	B[5,6,6](O[5,6]B[5,6]B[5])2(O[5,6,6]B[5,6]2)(C[5]C[6a]C[5]){5|Cl<1>,1|O<2>,1|O<3>,8|C<3>}	C[5](B[5,6,6]O[5,6,6]O[5,6]2)(C[5]C[6a]B[5])(C[6a]C[6a]2){1|Cl<1>,2|B<3>,2|H<1>,3|B<4>,4|C<3>}	O[5,6,6](B[5,6,6]O[5,6]2C[5])(B[5,6]O[5,6]C[5]Cl)(B[5,6]C[5]O[6]){2|B<4>,3|B<3>,4|C<3>}	118.7290	0.000	1	118.7290	0.000	1	118.7290	0.000	1	118.7290	0.000	1	118.7290	0.000	1	116.3040	12.881	4
786	818	916	0:SP3_SP2_SP3	B[5,6,6]	C[5]	O[5,6]	3:3:3:3:	4:3:3:	4:3:4:	O[5,6]-3:O[5,6]-3:O[5,6,6]-3:C[5]-3:	B[5,6,6]-4:C[5]-3:C[6a]-3:	B[5,6,6]-4:B[5,6]-3:B[5]-4:	B[5,6,6](O[5,6]B[5,6]B[5])2(O[5,6,6]B[5,6]2)(C[5]C[6a]C[5])	C[5](B[5,6,6]O[5,6,6]O[5,6]2)(C[5]C[6a]B[5])(C[6a]C[6a]2)	O[5,6](B[5,6,6]O[5,6,6]O[5,6]C[5])(B[5,6]C[5]O[6])(B[5]C[5]Cl2)	B[5,6,6](O[5,6]B[5,6]B[5])2(O[5,6,6]B[5,6]2)(C[5]C[6a]C[5]){5|Cl<1>,1|O<2>,1|O<3>,8|C<3>}	C[5](B[5,6,6]O[5,6,6]O[5,6]2)(C[5]C[6a]B[5])(C[6a]C[6a]2){1|Cl<1>,2|B<3>,2|H<1>,3|B<4>,4|C<3>}	O[5,6](B[5,6,6]O[5,6,6]O[5,6]C[5])(B[5,6]C[5]O[6])(B[5]C[5]Cl2){2|B<3>,2|B<4>,4|C<3>}	113.4010	0.000	1	113.4010	0.000	1	113.4010	0.000	1	113.4010	0.000	1	113.4010	0.000	1	116.3040	12.881	4
786	818	916	0:SP3_SP2_SP3	B[5,6]	C[5]	O[5,6]	3:3:3:1:	4:3:3:	4:4:3:	O[5,6,6]-3:O[5,6]-3:C[5]-3:Cl-1:	B[5,6]-4:C[5]-3:C[6a]-3:	B[5,6]-4:B[5,6]-4:B[5]-3:	B[5,6](O[5,6,6]B[5,6,6]B[5,6])(O[5,6]B[5,6]B[5])(C[5]C[6a]C[5])(Cl)	C[5](B[5,6]O[5,6,6]O[5,6]Cl)(C[5]B[5,6]C[6a])(C[6a]C[6a]2)	O[5,6](B[5,6]O[5,6,6]C[5]Cl)(B[5,6]O[5,6]C[5]Cl)(B[5]C[5]Cl)	B[5,6](O[5,6,6]B[5,6,6]B[5,6])(O[5,6]B[5,6]B[5])(C[5]C[6a]C[5])(Cl){2|Cl<1>,1|O<2>,2|O<3>,6|C<3>}	C[5](B[5,6]O[5,6,6]O[5,6]Cl)(C[5]B[5,6]C[6a])(C[6a]C[6a]2){1|B<3>,1|O<2>,2|B<4>,2|H<1>,4|C<3>}	O[5,6](B[5,6]O[5,6,6]C[5]Cl)(B[5,6]O[5,6]C[5]Cl)(B[5]C[5]Cl){1|B<4>,2|B<3>,4|C<3>}	113.0630	0.000	1	113.0630	0.000	1	113.0630	0.000	1	116.5430	24.221	2	116.5430	24.221	2	116.3040	12.881	4
786	818	916	0:SP3_SP2_SP3	B[5,6]	C[5]	O[5,6]	3:3:3:1:	4:3:3:	4:4:3:	O[5,6]-3:O[5,6]-3:C[5]-3:Cl-1:	B[5,6]-4:C[5]-3:C[6a]-3:	B[5,6,6]-4:B[5,6]-4:B[5]-3:	B[5,6](O[5,6]B[5,6,6]B[5])(O[5,6]B[5,6]B[5])(C[5]C[6a]C[5])(Cl)	C[5](B[5,6]O[5,6]2Cl)(C[5]C[6a]B[5])(C[6a]C[6a]2)	O[5,6](B[5,6,6]O[5,6,6]O[5,6]C[5])(B[5,6]O[5,6]C[5]Cl)(B[5]C[5]Cl)	B[5,6](O[5,6]B[5,6,6]B[5])(O[5,6]B[5,6]B[5])(C[5]C[6a]C[5])(Cl){3|Cl<1>,2|O<3>,6|C<3>}	C[5](B[5,6]O[5,6]2Cl)(C[5]C[6a]B[5])(C[6a]C[6a]2){1|Cl<1>,1|B<3>,2|B<4>,2|H<1>,4|C<3>}	O[5,6](B[5,6,6]O[5,6,6]O[5,6]C[5])(B[5,6]O[5,6]C[5]Cl)(B[5]C[5]Cl){2|B<4>,3|B<3>,4|C<3>}	120.0230	0.000	1	120.0230	0.000	1	120.0230	0.000	1	116.5430	24.221	2	116.5430	24.221	2	116.3040	12.881	4
786	818	916	5:SP3_SP2_SP3	B[5,6,6]	C[5]	O[5,6]	3:3:3:3:	4:3:3:	4:4:3:	O[5,6]-3:O[5,6]-3:O[5,6,6]-3:C[5]-3:	B[5,6,6]-4:C[5]-3:C[6a]-3:	B[5,6,6]-4:B[5,6]-4:B[5]-3:	B[5,6,6](O[5,6]B[5,6]B[5])2(O[5,6,6]B[5,6]2)(C[5]C[6a]C[5])	C[5](B[5,6,6]O[5,6,6]O[5,6]2)(C[5]C[6a]B[5])(C[6a]C[6a]2)	O[5,6](B[5,6,6]O[5,6,6]O[5,6]C[5])(B[5,6]O[5,6]C[5]Cl)(B[5]C[5]Cl)	B[5,6,6](O[5,6]B[5,6]B[5])2(O[5,6,6]B[5,6]2)(C[5]C[6a]C[5]){5|Cl<1>,1|O<2>,1|O<3>,8|C<3>}	C[5](B[5,6,6]O[5,6,6]O[5,6]2)(C[5]C[6a]B[5])(C[6a]C[6a]2){1|Cl<1>,2|B<3>,2|H<1>,3|B<4>,4|C<3>}	O[5,6](B[5,6,6]O[5,6,6]O[5,6]C[5])(B[5,6]O[5,6]C[5]Cl)(B[5]C[5]Cl){2|B<4>,3|B<3>,4|C<3>}	103.7530	0.000	1	103.7530	0.000	1	103.7530	0.000	1	103.7530	0.000	1	103.7530	0.000	1	101.0067	12.194	5
786	818	916	5:SP3_SP2_SP3	B[5,6]	C[5]	O[5,6,6]	3:3:3:1:	4:3:3:	4:4:3:	O[5,6,6]-3:O[5,6]-3:C[5]-3:Cl-1:	B[5,6]-4:C[5]-3:C[6a]-3:	B[5,6,6]-4:B[5,6]-4:B[5,6]-3:	B[5,6](O[5,6,6]B[5,6,6]B[5,6])(O[5,6]B[5,6]B[5])(C[5]C[6a]C[5])(Cl)	C[5](B[5,6]O[5,6,6]O[5,6]Cl)(C[5]B[5,6]C[6a])(C[6a]C[6a]2)	O[5,6,6](B[5,6,6]O[5,6]2C[5])(B[5,6]O[5,6]C[5]Cl)(B[5,6]C[5]O[6])	B[5,6](O[5,6,6]B[5,6,6]B[5,6])(O[5,6]B[5,6]B[5])(C[5]C[6a]C[5])(Cl){2|Cl<1>,1|O<2>,2|O<3>,6|C<3>}	C[5](B[5,6]O[5,6,6]O[5,6]Cl)(C[5]B[5,6]C[6a])(C[6a]C[6a]2){1|B<3>,1|O<2>,2|B<4>,2|H<1>,4|C<3>}	O[5,6,6](B[5,6,6]O[5,6]2C[5])(B[5,6]O[5,6]C[5]Cl)(B[5,6]C[5]O[6]){2|B<4>,3|B<3>,4|C<3>}	102.0280	0.000	1	102.0280	0.000	1	102.0280	0.000	1	102.0280	0.000	1	102.0280	0.000	1	101.0067	12.194	5
786	818	916	5:SP3_SP2_SP3	B[5,6]	C[5]	O[5,6]	3:3:3:1:	4:3:3:	4:4:3:	O[5,6]-3:O[5,6]-3:C[5]-3:Cl-1:	B[5,6]-4:C[5]-3:C[6a]-3:	B[5,6]-4:B[5,6]-4:B[5]-3:	B[5,6](O[5,6]B[5,6,6]B[5])(O[5,6]B[5,6]B[5])(C[5]C[6a]C[5])(Cl)	C[5](B[5,6]O[5,6]2Cl)(C[5]C[6a]B[5])(C[6a]C[6a]2)	O[5,6](B[5,6]O[5,6,6]C[5]Cl)(B[5,6]O[5,6]C[5]Cl)(B[5]C[5]Cl)	B[5,6](O[5,6]B[5,6,6]B[5])(O[5,6]B[5,6]B[5])(C[5]C[6a]C[5])(Cl){3|Cl<1>,2|O<3>,6|C<3>}	C[5](B[5,6]O[5,6]2Cl)(C[5]C[6a]B[5])(C[6a]C[6a]2){1|Cl<1>,1|B<3>,2|B<4>,2|H<1>,4|C<3>}	O[5,6](B[5,6]O[5,6,6]C[5]Cl)(B[5,6]O[5,6]C[5]Cl)(B[5]C[5]Cl){1|B<4>,2|B<3>,4|C<3>}	103.2640	0.000	1	103.2640	0.000	1	103.2640	0.000	1	103.2640	0.000	1	103.2640	0.000	1	101.0067	12.194	5
786	818	916	5:SP3_SP2_SP3	B[5]	C[5]	O[5,6]	3:3:1:1:	3:4:3:	4:3:4:	O[5,6]-3:C[5]-3:Cl-1:Cl-1:	C[5]-3:B[5]-4:C[6a]-3:	B[5,6,6]-4:B[5,6]-3:B[5]-4:	B[5](O[5,6]B[5,6,6]B[5,6])(C[5]C[6a]C[5])(Cl)2	C[5](C[5]B[5,6]C[6a])(B[5]O[5,6]Cl2)(C[6a]C[6a]2)	O[5,6](B[5,6,6]O[5,6,6]O[5,6]C[5])(B[5,6]C[5]O[6])(B[5]C[5]Cl2)	B[5](O[5,6]B[5,6,6]B[5,6])(C[5]C[6a]C[5])(Cl)2{1|O<2>,2|O<3>,4|C<3>}	C[5](C[5]B[5,6]C[6a])(B[5]O[5,6]Cl2)(C[6a]C[6a]2){1|B<4>,1|O<2>,2|H<1>,4|C<3>}	O[5,6](B[5,6,6]O[5,6,6]O[5,6]C[5])(B[5,6]C[5]O[6])(B[5]C[5]Cl2){2|B<3>,2|B<4>,4|C<3>}	100.9050	0.000	1	100.9050	0.000	1	100.9050	0.000	1	100.9050	0.000	1	100.9050	0.000	1	101.0067	12.194	5
786	818	916	5:SP3_SP2_SP3	B[5]	C[5]	O[5]	3:3:3:3:	4:3:3:	4:4:4:	C[5]-3:C[6a]-3:C[6a]-3:O[5]-3:	B[5]-4:C[6a]-3:C[5]-3:	B[5]-4:C[5]-4:C-4:	B[5](C[5]C[6a]C[5])(C[6a]C[6a]2)2(O[5]C[5]C)	C[5](B[5]C[6a]2O[5])(C[6a]C[6a]2)(C[5]C[5]H)	O[5](B[5]C[6a]2C[5])(C[5]C[5]HH)(CCHH)	B[5](C[5]C[6a]C[5])(C[6a]C[6a]2)2(O[5]C[5]C){3|H<1>,4|F<1>,6|C<3>}	C[5](B[5]C[6a]2O[5])(C[6a]C[6a]2)(C[5]C[5]H){1|C<4>,2|F<1>,2|H<1>,6|C<3>}	O[5](B[5]C[6a]2C[5])(C[5]C[5]HH)(CCHH){1|H<1>,5|C<3>}	95.0835	0.000	1	95.0835	0.000	1	95.0835	0.000	1	95.0835	0.000	1	95.0835	0.000	1	101.0067	12.194	5
786	818	924	0:SP3_SP-NON_SP2	B[5]	C[5,5]	Br	3:4:1:1:	4:3:3:	4:	C[5,5]-3:C[5]-4:Br-1:Br-1:	B[5]-4:N[5,5]-3:N[5]-3:	B[5]-4:	B[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(Br)2	C[5,5](B[5]C[5]Br2)(N[5,5]C[5]2)(N[5]C[5]C)	Br(B[5]C[5,5]C[5]Br)	B[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(Br)2{2|C<3>,3|C<4>}	C[5,5](B[5]C[5]Br2)(N[5,5]C[5]2)(N[5]C[5]C){2|C<4>,4|H<1>}	Br(B[5]C[5,5]C[5]Br)	111.1368	2.524	6	111.1368	6.370	6	111.1368	6.370	6	111.1368	6.370	6	111.1368	6.370	6	109.7563	18.650	7
786	818	924	0:SP3_SP-NON_SP2	B[5]	C[5]	Br	3:3:3:1:	4:3:3:	4:	C[5,6a]-3:C[5,6a]-3:C[5]-3:Br-1:	B[5]-4:N[5]-3:N[5]-3:	B[5]-4:	B[5](C[5,6a]C[5,6a]C[6a])2(C[5]N[5]2)(Br)	C[5](B[5]C[5,6a]2Br)(N[5]C[6a]C[5])2	Br(B[5]C[5,6a]2C[5])	B[5](C[5,6a]C[5,6a]C[6a])2(C[5]N[5]2)(Br){2|H<1>,8|C<3>}	C[5](B[5]C[5,6a]2Br)(N[5]C[6a]C[5])2{2|H<1>,8|C<3>}	Br(B[5]C[5,6a]2C[5])	101.4730	0.000	1	101.4730	0.000	1	101.4730	0.000	1	101.4730	0.000	1	101.4730	0.000	1	109.7563	18.650	7
786	818	951	0:SP3_SP-NON_SP2	B[5]	C[5,5]	H	3:3:4:1:	4:3:3:	4:	C[5,5]-3:C[6a]-3:C[5]-4:H-1:	B[5]-4:N[5]-3:N[5,5]-3:	B[5]-4:	B[5](C[5,5]N[5,5]N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5,5](B[5]C[6a]C[5]H)(N[5]C[6a]C[5])(N[5,5]C[5]2)	H(B[5]C[5,5]C[6a]C[5])	B[5](C[5,5]N[5,5]N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,3|H<1>,5|C<3>}	C[5,5](B[5]C[6a]C[5]H)(N[5]C[6a]C[5])(N[5,5]C[5]2){1|C<4>,4|C<3>,5|H<1>}	H(B[5]C[5,5]C[6a]C[5])	112.3270	0.000	1	109.8160	4.736	3	109.8160	4.736	3	109.8160	4.736	3	109.8160	4.736	3	110.2220	10.529	23
786	818	951	0:SP3_SP-NON_SP2	B[5]	C[5,5]	H	3:3:4:1:	4:3:3:	4:	C[5,5]-3:C[6a]-3:C[5]-4:H-1:	B[5]-4:N[5]-3:N[5,5]-3:	B[5]-4:	B[5](C[5,5]N[5,5]N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5,5](B[5]C[6a]C[5]H)(N[5]C[6a]C[5])(N[5,5]C[5]2)	H(B[5]C[5,5]C[6a]C[5])	B[5](C[5,5]N[5,5]N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){2|C<4>,2|H<1>,5|C<3>}	C[5,5](B[5]C[6a]C[5]H)(N[5]C[6a]C[5])(N[5,5]C[5]2){1|C<4>,4|C<3>,5|H<1>}	H(B[5]C[5,5]C[6a]C[5])	108.5605	0.120	2	109.8160	4.736	3	109.8160	4.736	3	109.8160	4.736	3	109.8160	4.736	3	110.2220	10.529	23
786	818	951	0:SP3_SP-NON_SP2	B[5]	C[5]	H	3:2:2:1:	3:3:4:	4:	C[5]-3:O[5]-2:O[5]-2:H-1:	C[5]-3:N[5]-3:B[5]-4:	B[5]-4:	B[5](C[5]C[5]N[5])(O[5]C[5])2(H)	C[5](C[5]C[6a]N[5])(N[5]C[6a]C[5])(B[5]O[5]2H)	H(B[5]C[5]O[5]2)	B[5](C[5]C[5]N[5])(O[5]C[5])2(H){1|N<3>,3|C<3>,4|C<4>}	C[5](C[5]C[6a]N[5])(N[5]C[6a]C[5])(B[5]O[5]2H){2|C<4>,6|C<3>}	H(B[5]C[5]O[5]2)	109.6640	0.000	1	109.6640	0.000	1	109.6640	0.000	1	109.6640	0.000	1	110.2829	11.663	20	110.2220	10.529	23
786	818	951	0:SP3_SP-NON_SP2	B[5]	C[5]	H	3:3:3:1:	3:3:4:	4:	C[5]-3:C[5]-3:C[5]-3:H-1:	C[5]-3:C[6a]-3:B[5]-4:	B[5]-4:	B[5](C[5]C[6a]C[5])2(C[5]N[5]2)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(B[5]C[5]2H)	H(B[5]C[5]3)	B[5](C[5]C[6a]C[5])2(C[5]N[5]2)(H){2|C<4>,8|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(B[5]C[5]2H){2|H<1>,2|N<3>,6|C<3>}	H(B[5]C[5]3)	109.8575	0.029	2	109.8575	0.001	2	109.8575	0.001	2	109.8457	0.001	3	110.2829	11.663	20	110.2220	10.529	23
786	818	951	0:SP3_SP-NON_SP2	B[5]	C[5]	H	3:3:3:1:	3:3:4:	4:	C[5]-3:C[5]-3:C[5]-3:H-1:	N[5]-3:N[5]-3:B[5]-4:	B[5]-4:	B[5](C[5]C[6a]C[5])2(C[5]N[5]2)(H)	C[5](N[5]C[6a]C[5])2(B[5]C[5]2H)	H(B[5]C[5]3)	B[5](C[5]C[6a]C[5])2(C[5]N[5]2)(H){2|C<4>,8|C<3>}	C[5](N[5]C[6a]C[5])2(B[5]C[5]2H){4|H<1>,8|C<3>}	H(B[5]C[5]3)	109.8220	0.000	1	109.8220	0.000	1	109.8220	0.000	1	109.8457	0.001	3	110.2829	11.663	20	110.2220	10.529	23
786	818	951	0:SP3_SP-NON_SP2	B[5]	C[5]	H	3:3:3:1:	4:3:1:	4:	B[5]-3:C[5]-3:C[5]-3:H-1:	B[5]-4:C[5]-3:H-1:	B[5]-4:	B[5](B[5]C[5]O[5])(C[5]C[5]N[5])(C[5]C[5]H)(H)	C[5](B[5]B[5]C[5]H)(C[5]O[5]C)(H)	H(B[5]B[5]C[5]2)	B[5](B[5]C[5]O[5])(C[5]C[5]N[5])(C[5]C[5]H)(H){1|C<3>,1|H<1>,1|N<3>,6|C<4>}	C[5](B[5]B[5]C[5]H)(C[5]O[5]C)(H){1|N<3>,2|C<4>}	H(B[5]B[5]C[5]2)	107.5470	0.000	1	107.5470	0.000	1	107.5470	0.000	1	107.5470	0.000	1	110.2829	11.663	20	110.2220	10.529	23
786	818	951	0:SP3_SP-NON_SP2	B[5]	C[5]	H	3:3:3:1:	4:3:3:	4:	C[5,6a]-3:C[5,6a]-3:C[5]-3:H-1:	B[5]-4:N[5]-3:N[5]-3:	B[5]-4:	B[5](C[5,6a]C[5,6a]C[6a])2(C[5]N[5]2)(H)	C[5](B[5]C[5,6a]2H)(N[5]C[6a]C[5])2	H(B[5]C[5,6a]2C[5])	B[5](C[5,6a]C[5,6a]C[6a])2(C[5]N[5]2)(H){2|H<1>,8|C<3>}	C[5](B[5]C[5,6a]2H)(N[5]C[6a]C[5])2{2|H<1>,8|C<3>}	H(B[5]C[5,6a]2C[5])	105.8030	0.000	1	105.8030	0.000	1	105.8030	0.000	1	105.8030	0.000	1	110.2829	11.663	20	110.2220	10.529	23
786	818	951	0:SP3_SP-NON_SP2	B[5]	C[5]	H	3:3:3:1:	4:3:4:	4:	B[5]-3:C[5]-3:C[5]-3:H-1:	B[5]-4:N[5]-3:C[5]-4:	B[5]-4:	B[5](B[5]C[5]O[5])(C[5]C[5]N[5])(C[5]C[5]H)(H)	C[5](B[5]B[5]C[5]H)(N[5]C[6a]C[5])(C[5]C[5]CC)	H(B[5]B[5]C[5]2)	B[5](B[5]C[5]O[5])(C[5]C[5]N[5])(C[5]C[5]H)(H){1|C<3>,1|H<1>,1|N<3>,6|C<4>}	C[5](B[5]B[5]C[5]H)(N[5]C[6a]C[5])(C[5]C[5]CC){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	H(B[5]B[5]C[5]2)	108.2270	0.000	1	108.2270	0.000	1	108.2270	0.000	1	108.2270	0.000	1	110.2829	11.663	20	110.2220	10.529	23
786	818	951	0:SP3_SP-NON_SP2	B[5]	C[5]	H	3:4:3:1:	4:3:3:	4:	B[5]-3:C[5]-4:C[5]-3:H-1:	B[5]-4:N[5]-3:N[5]-3:	B[5]-4:	B[5](B[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[5]N[5]2)(H)	C[5](B[5]B[5]C[5]H)(N[5]C[6a]C[5])2	H(B[5]B[5]C[5]2)	B[5](B[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[5]N[5]2)(H){2|C<4>,6|C<3>}	C[5](B[5]B[5]C[5]H)(N[5]C[6a]C[5])2{6|H<1>,7|C<3>}	H(B[5]B[5]C[5]2)	110.4010	0.000	1	110.4010	0.000	1	110.4010	0.000	1	110.4010	0.000	1	110.2829	11.663	20	110.2220	10.529	23
786	818	951	0:SP3_SP-NON_SP2	B[5]	C[5]	H	4:3:1:1:	4:3:1:	4:	N[5]-4:C[5]-3:H-1:H-1:	B[5]-4:C[5]-3:H-1:	B[5]-4:	B[5](N[5]C[5]CC)(C[5]C[5]H)(H)2	C[5](B[5]N[5]HH)(C[5]C[5]C)(H)	H(B[5]C[5]N[5]H)	B[5](N[5]C[5]CC)(C[5]C[5]H)(H)2{1|C<4>,2|H<1>}	C[5](B[5]N[5]HH)(C[5]C[5]C)(H){2|C<4>,2|H<1>}	H(B[5]C[5]N[5]H)	115.7930	5.141	2	115.7930	26.426	2	115.7930	26.426	2	115.7930	26.426	2	110.2829	11.663	20	110.2220	10.529	23
786	818	951	0:SP3_SP-NON_SP2	B[5]	C[5]	H	4:3:1:1:	4:4:3:	4:	P[5]-4:C[5]-3:H-1:H-1:	P[5]-4:B[5]-4:C-3:	B[5]-4:	B[5](P[5]N[5]CC)(C[5]P[5]C)(H)2	C[5](P[5]C[6a]2N[5])(B[5]P[5]HH)(CC[6a]H)	H(B[5]C[5]P[5]H)	B[5](P[5]N[5]CC)(C[5]P[5]C)(H)2{2|C<3>}	C[5](P[5]C[6a]2N[5])(B[5]P[5]HH)(CC[6a]H){2|C<4>,4|C<3>}	H(B[5]C[5]P[5]H)	113.5033	2.209	4	113.5033	4.881	4	113.5033	4.881	4	113.5033	4.881	4	110.2829	11.663	20	110.2220	10.529	23
786	818	951	0:SP3_SP-NON_SP2	B[5]	C[5]	H	4:3:2:1:	4:3:3:	4:	C[5]-4:C[5]-3:O[5]-2:H-1:	B[5]-4:N[5]-3:N[5]-3:	B[5]-4:	B[5](C[5]C[5]CH)(C[5]N[5]2)(O[5]C[5])(H)	C[5](B[5]C[5]O[5]H)(N[5]C[5,6a]C)2	H(B[5]C[5]2O[5])	B[5](C[5]C[5]CH)(C[5]N[5]2)(O[5]C[5])(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](B[5]C[5]O[5]H)(N[5]C[5,6a]C)2{1|C<4>,1|H<1>,4|C<3>}	H(B[5]C[5]2O[5])	108.4210	0.000	1	108.4210	0.000	1	108.1468	3.639	6	108.1468	3.639	6	110.2829	11.663	20	110.2220	10.529	23
786	818	951	0:SP3_SP-NON_SP2	B[5]	C[5]	H	4:3:2:1:	4:3:3:	4:	C[5]-4:C[5]-3:O[5]-2:H-1:	B[5]-4:N[5]-3:N[5]-3:	B[5]-4:	B[5](C[5]C[5]CH)(C[5]N[5]2)(O[5]C[5])(H)	C[5](B[5]C[5]O[5]H)(N[5]C[5]C)2	H(B[5]C[5]2O[5])	B[5](C[5]C[5]CH)(C[5]N[5]2)(O[5]C[5])(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](B[5]C[5]O[5]H)(N[5]C[5]C)2{1|C<4>,2|C<3>,3|H<1>}	H(B[5]C[5]2O[5])	108.4800	3.907	2	108.4800	15.268	2	108.1468	3.639	6	108.1468	3.639	6	110.2829	11.663	20	110.2220	10.529	23
786	818	951	0:SP3_SP-NON_SP2	B[5]	C[5]	H	4:3:2:1:	4:3:3:	4:	C[5]-4:C[5]-3:O[5]-2:H-1:	B[5]-4:N[5]-3:N[5]-3:	B[5]-4:	B[5](C[5]C[5]CH)(C[5]N[5]2)(O[5]C[5])(H)	C[5](B[5]C[5]O[5]H)(N[5]C[6a]C[5])2	H(B[5]C[5]2O[5])	B[5](C[5]C[5]CH)(C[5]N[5]2)(O[5]C[5])(H){1|O<1>,2|H<1>,4|C<3>}	C[5](B[5]C[5]O[5]H)(N[5]C[6a]C[5])2{1|C<4>,3|H<1>,6|C<3>}	H(B[5]C[5]2O[5])	107.8333	1.081	3	107.8333	1.168	3	108.1468	3.639	6	108.1468	3.639	6	110.2829	11.663	20	110.2220	10.529	23
786	818	955	5:SP3_SP2_SP3	B[5]	C[5]	P[5]	4:3:1:1:	4:4:3:	4:2:4:4:	P[5]-4:C[5]-3:H-1:H-1:	P[5]-4:B[5]-4:C-3:	B[5]-4:N[5]-2:C-4:C-4:	B[5](P[5]N[5]CC)(C[5]P[5]C)(H)2	C[5](P[5]C[6a]2N[5])(B[5]P[5]HH)(CC[6a]H)	P[5](B[5]C[5]HH)(N[5]P[5])(CCCH)2	B[5](P[5]N[5]CC)(C[5]P[5]C)(H)2{2|C<3>}	C[5](P[5]C[6a]2N[5])(B[5]P[5]HH)(CC[6a]H){2|C<4>,4|C<3>}	P[5](B[5]C[5]HH)(N[5]P[5])(CCCH)2{3|C<3>}	101.2845	0.520	2	101.2845	0.270	2	101.2845	0.270	2	101.2845	0.270	2	97.6572	11.880	7	97.6572	11.880	7
786	818	955	5:SP3_SP2_SP3	B[5]	C[5]	P[5]	4:3:3:3:	4:4:2:	4:3:4:4:	P[5]-4:C[6a]-3:C[6a]-3:C[5]-3:	B[5]-4:C[5]-4:O-2:	B[5]-4:C[6a]-3:C[5]-4:C-4:	B[5](P[5]C[6a]C[5]C)(C[6a]C[6a]2)2(C[5]C[5]O)	C[5](B[5]C[6a]2P[5])(C[5]C[5]HH)(OB)	P[5](B[5]C[6a]2C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(CCHH)	B[5](P[5]C[6a]C[5]C)(C[6a]C[6a]2)2(C[5]C[5]O){4|F<1>,4|H<1>,6|C<3>}	C[5](B[5]C[6a]2P[5])(C[5]C[5]HH)(OB){1|C<4>,2|H<1>,5|C<3>}	P[5](B[5]C[6a]2C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(CCHH){1|O<2>,2|C<4>,2|H<1>,6|C<3>}	96.2063	2.923	5	96.2063	8.542	5	96.2063	8.542	5	96.2063	8.542	5	97.6572	11.880	7	97.6572	11.880	7
786	818	976	0:SP3_SP2_SP2	B[5]	C[5]	O[5]	4:3:2:1:	4:3:3:	4:3:	C[5]-4:C[5]-3:O[5]-2:H-1:	B[5]-4:N[5]-3:N[5]-3:	B[5]-4:C[5]-3:	B[5](C[5]C[5]CH)(C[5]N[5]2)(O[5]C[5])(H)	C[5](B[5]C[5]O[5]H)(N[5]C[5,6a]C)2	O[5](B[5]C[5]2H)(C[5]C[5]O)	B[5](C[5]C[5]CH)(C[5]N[5]2)(O[5]C[5])(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](B[5]C[5]O[5]H)(N[5]C[5,6a]C)2{1|C<4>,1|H<1>,4|C<3>}	O[5](B[5]C[5]2H)(C[5]C[5]O){1|C<3>,2|N<3>,3|H<1>}	111.0600	0.000	1	111.0600	0.000	1	109.5385	2.122	6	109.5385	2.122	6	109.5385	2.122	6	109.5385	2.122	6
786	818	976	0:SP3_SP2_SP2	B[5]	C[5]	O[5]	4:3:2:1:	4:3:3:	4:3:	C[5]-4:C[5]-3:O[5]-2:H-1:	B[5]-4:N[5]-3:N[5]-3:	B[5]-4:C[5]-3:	B[5](C[5]C[5]CH)(C[5]N[5]2)(O[5]C[5])(H)	C[5](B[5]C[5]O[5]H)(N[5]C[5]C)2	O[5](B[5]C[5]2H)(C[5]C[5]O)	B[5](C[5]C[5]CH)(C[5]N[5]2)(O[5]C[5])(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](B[5]C[5]O[5]H)(N[5]C[5]C)2{1|C<4>,2|C<3>,3|H<1>}	O[5](B[5]C[5]2H)(C[5]C[5]O){1|C<3>,2|N<3>,3|H<1>}	109.8545	2.411	2	109.8545	5.811	2	109.5385	2.122	6	109.5385	2.122	6	109.5385	2.122	6	109.5385	2.122	6
786	818	976	0:SP3_SP2_SP2	B[5]	C[5]	O[5]	4:3:2:1:	4:3:3:	4:3:	C[5]-4:C[5]-3:O[5]-2:H-1:	B[5]-4:N[5]-3:N[5]-3:	B[5]-4:C[5]-3:	B[5](C[5]C[5]CH)(C[5]N[5]2)(O[5]C[5])(H)	C[5](B[5]C[5]O[5]H)(N[5]C[6a]C[5])2	O[5](B[5]C[5]2H)(C[5]C[5]O)	B[5](C[5]C[5]CH)(C[5]N[5]2)(O[5]C[5])(H){1|O<1>,2|H<1>,4|C<3>}	C[5](B[5]C[5]O[5]H)(N[5]C[6a]C[5])2{1|C<4>,3|H<1>,6|C<3>}	O[5](B[5]C[5]2H)(C[5]C[5]O){1|C<3>,2|N<3>,3|H<1>}	108.8207	0.607	3	108.8207	0.368	3	109.5385	2.122	6	109.5385	2.122	6	109.5385	2.122	6	109.5385	2.122	6
786	818	976	0:SP3_SP2_SP3	B[5,5]	C[5]	O[5]	3:2:2:2:	3:4:3:	4:4:	C[5]-3:O[5]-2:O[5]-2:O[5]-2:	C[5]-3:B[5,5]-4:C[6a]-3:	B[5,5]-4:C[5]-4:	B[5,5](C[5]C[6a]C[5])(O[5]C[5])3	C[5](C[5]C[6a]C[5])(B[5,5]O[5]3)(C[6a]C[6a]2)	O[5](B[5,5]C[5]O[5]2)(C[5]C[5]CC)	B[5,5](C[5]C[6a]C[5])(O[5]C[5])3{1|N<3>,3|C<3>,4|C<4>}	C[5](C[5]C[6a]C[5])(B[5,5]O[5]3)(C[6a]C[6a]2){1|N<3>,2|C<4>,2|H<1>,4|C<3>}	O[5](B[5,5]C[5]O[5]2)(C[5]C[5]CC){2|C<4>,3|C<3>}	118.2035	1.508	2	118.2035	2.275	2	118.2035	2.275	2	118.2035	2.275	2	116.1268	13.036	4	110.6880	15.647	22
786	818	976	0:SP3_SP2_SP3	B[5,5]	C[5]	O[5]	3:3:2:2:	4:3:2:	4:4:	C[5]-3:N[5]-3:O[5]-2:O[5]-2:	B[5,5]-4:C[6a]-3:N[5]-2:	B[5,5]-4:C[5]-4:	B[5,5](C[5]C[6a]N[5])(N[5]C[5]Mg)(O[5]C[5])2	C[5](B[5,5]N[5]O[5]2)(C[6a]C[6a]2)(N[5]C[5])	O[5](B[5,5]C[5]N[5]O[5])(C[5]C[5]CC)	B[5,5](C[5]C[6a]N[5])(N[5]C[5]Mg)(O[5]C[5])2{3|C<3>,4|C<4>}	C[5](B[5,5]N[5]O[5]2)(C[6a]C[6a]2)(N[5]C[5]){1|Mg<4>,1|H<1>,3|C<3>,3|C<4>}	O[5](B[5,5]C[5]N[5]O[5])(C[5]C[5]CC){1|Mg<4>,1|N<2>,2|C<3>,2|C<4>}	114.0500	4.425	2	114.0500	19.581	2	114.0500	19.581	2	114.0500	19.581	2	116.1268	13.036	4	110.6880	15.647	22
786	818	976	0:SP3_SP2_SP3	B[5]	C[5]	O[5]	3:2:2:1:	3:3:4:	4:4:	C[5]-3:O[5]-2:O[5]-2:H-1:	C[5]-3:N[5]-3:B[5]-4:	B[5]-4:C[5]-4:	B[5](C[5]C[5]N[5])(O[5]C[5])2(H)	C[5](C[5]C[6a]N[5])(N[5]C[6a]C[5])(B[5]O[5]2H)	O[5](B[5]C[5]O[5]H)(C[5]C[5]CC)	B[5](C[5]C[5]N[5])(O[5]C[5])2(H){1|N<3>,3|C<3>,4|C<4>}	C[5](C[5]C[6a]N[5])(N[5]C[6a]C[5])(B[5]O[5]2H){2|C<4>,6|C<3>}	O[5](B[5]C[5]O[5]H)(C[5]C[5]CC){1|C<3>,1|N<3>,2|C<4>}	110.8745	3.037	2	110.8745	9.224	2	110.8745	9.224	2	110.8745	9.224	2	109.4793	8.521	18	110.6880	15.647	22
786	818	976	0:SP3_SP2_SP3	B[5]	C[5]	O[5]	3:2:2:1:	4:3:3:	4:4:	C[5]-3:O[5]-2:O[5]-2:F-1:	B[5]-4:N[5]-3:N[5]-3:	B[5]-4:C[5]-4:	B[5](C[5]N[5]2)(O[5]C[5])2(F)	C[5](B[5]O[5]2F)(N[5]C[5]C)2	O[5](B[5]C[5]O[5]F)(C[5]C[5]CC)	B[5](C[5]N[5]2)(O[5]C[5])2(F){2|C<3>,6|C<4>}	C[5](B[5]O[5]2F)(N[5]C[5]C)2{2|C<4>,2|H<1>}	O[5](B[5]C[5]O[5]F)(C[5]C[5]CC){2|C<4>,2|N<3>}	111.8870	2.374	2	111.8870	5.638	2	111.8870	5.638	2	111.8870	5.638	2	109.4793	8.521	18	110.6880	15.647	22
786	818	976	0:SP3_SP2_SP3	B[5]	C[5]	O[5]	3:2:2:2:	4:3:3:	4:4:	C[5]-3:O[5]-2:O[5]-2:O-2:	B[5]-4:N[5]-3:N[5]-3:	B[5]-4:C[5]-4:	B[5](C[5]N[5]2)(O[5]C[5])2(OC)	C[5](B[5]O[5]2O)(N[5]C[5]C)2	O[5](B[5]C[5]O[5]O)(C[5]C[5]HH)	B[5](C[5]N[5]2)(O[5]C[5])2(OC){2|C<3>,2|C<4>,4|H<1>}	C[5](B[5]O[5]2O)(N[5]C[5]C)2{2|C<4>,2|H<1>}	O[5](B[5]C[5]O[5]O)(C[5]C[5]HH){2|H<1>,2|N<3>}	109.0415	3.513	4	109.0415	12.338	4	109.0415	12.338	4	109.0415	12.338	4	109.4793	8.521	18	110.6880	15.647	22
786	818	976	0:SP3_SP2_SP3	B[5]	C[5]	O[5]	3:2:2:3:	4:3:3:	4:4:	C[5]-3:O[5]-2:O[5]-2:C-3:	B[5]-4:N[5]-3:N[5]-3:	B[5]-4:C[5]-4:	B[5](C[5]N[5]2)(O[5]C[5])2(CC[6]Te)	C[5](B[5]O[5]2C)(N[5]C[5]C)2	O[5](B[5]C[5]O[5]C)(C[5]C[5]CC)	B[5](C[5]N[5]2)(O[5]C[5])2(CC[6]Te){2|C<3>,6|C<4>}	C[5](B[5]O[5]2C)(N[5]C[5]C)2{4|C<4>}	O[5](B[5]C[5]O[5]C)(C[5]C[5]CC){2|C<4>,2|N<3>}	108.1535	0.275	2	108.1535	0.076	2	108.1535	0.076	2	108.1535	0.076	2	109.4793	8.521	18	110.6880	15.647	22
786	818	976	0:SP3_SP2_SP3	B[5]	C[5]	O[5]	3:3:2:2:	4:3:3:	4:4:	B[5]-3:C[5]-3:O[5]-2:O[5]-2:	B[5]-4:N[5]-3:N[5]-3:	B[5]-4:C[5]-4:	B[5](B[5]O[5]2)(C[5]N[5]2)(O[5]C[5])2	C[5](B[5]B[5]O[5]2)(N[5]C[5]C[6])2	O[5](B[5]B[5]C[5]O[5])(C[5]C[5]CC)	B[5](B[5]O[5]2)(C[5]N[5]2)(O[5]C[5])2{2|C<3>,8|C<4>}	C[5](B[5]B[5]O[5]2)(N[5]C[5]C[6])2{2|O<2>,4|H<1>,6|C<4>}	O[5](B[5]B[5]C[5]O[5])(C[5]C[5]CC){2|C<4>,2|N<3>,2|O<2>}	109.6365	2.920	2	109.6365	8.524	2	109.0683	7.001	4	109.0790	10.265	8	109.4793	8.521	18	110.6880	15.647	22
786	818	976	0:SP3_SP2_SP3	B[5]	C[5]	O[5]	3:3:2:2:	4:3:3:	4:4:	B[5]-3:C[5]-3:O[5]-2:O[5]-2:	B[5]-4:N[5]-3:N[5]-3:	B[5]-4:C[5]-4:	B[5](B[5]O[5]2)(C[5]N[5]2)(O[5]C[5])2	C[5](B[5]B[5]O[5]2)(N[5]C[6a]C[5])2	O[5](B[5]B[5]C[5]O[5])(C[5]C[5]HH)	B[5](B[5]O[5]2)(C[5]N[5]2)(O[5]C[5])2{2|C<4>,4|C<3>,4|H<1>}	C[5](B[5]B[5]O[5]2)(N[5]C[6a]C[5])2{2|C<4>,2|H<1>,2|O<2>,4|C<3>}	O[5](B[5]B[5]C[5]O[5])(C[5]C[5]HH){2|H<1>,2|N<3>,2|O<2>}	108.5000	3.345	2	108.5000	11.186	2	109.0683	7.001	4	109.0790	10.265	8	109.4793	8.521	18	110.6880	15.647	22
786	818	976	0:SP3_SP2_SP3	B[5]	C[5]	O[5]	3:3:2:2:	4:3:3:	4:4:	C[6]-3:C[5]-3:O[5]-2:O[5]-2:	B[5]-4:N[5]-3:N[5]-3:	B[5]-4:C[5]-4:	B[5](C[6]B[5,6]N[6])(C[5]N[5]2)(O[5]C[5])2	C[5](B[5]C[6]O[5]2)(N[5]C[5]C)2	O[5](B[5]C[5]C[6]O[5])(C[5]C[5]HH)	B[5](C[6]B[5,6]N[6])(C[5]N[5]2)(O[5]C[5])2{1|N<3>,2|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[5](B[5]C[6]O[5]2)(N[5]C[5]C)2{1|B<4>,1|N<3>,2|C<4>,2|H<1>}	O[5](B[5]C[5]C[6]O[5])(C[5]C[5]HH){1|B<4>,2|H<1>,3|N<3>}	109.0897	4.117	4	109.0897	16.952	4	109.0897	16.952	4	109.0790	10.265	8	109.4793	8.521	18	110.6880	15.647	22
786	818	976	5:SP3_SP2_SP2	B[5,5]	C[5]	O[5]	3:2:2:2:	3:4:3:	4:3:	C[5]-3:O[5]-2:O[5]-2:O[5]-2:	C[5]-3:B[5,5]-4:C[6a]-3:	B[5,5]-4:C[5]-3:	B[5,5](C[5]C[6a]C[5])(O[5]C[5])3	C[5](C[5]C[6a]C[5])(B[5,5]O[5]3)(C[6a]C[6a]2)	O[5](B[5,5]C[5]O[5]2)(C[5]C[5]N)	B[5,5](C[5]C[6a]C[5])(O[5]C[5])3{1|N<3>,3|C<3>,4|C<4>}	C[5](C[5]C[6a]C[5])(B[5,5]O[5]3)(C[6a]C[6a]2){1|N<3>,2|C<4>,2|H<1>,4|C<3>}	O[5](B[5,5]C[5]O[5]2)(C[5]C[5]N){2|C<3>,2|C<4>}	96.6099	0.000	1	96.6099	0.000	1	96.6099	0.000	1	96.6099	0.000	1	96.6099	0.000	1	97.4094	1.279	2
786	818	976	5:SP3_SP2_SP2	B[5,6,6]	C[5]	O[5]	3:4:4:2:	4:3:3:	4:3:	C[5]-3:C[6,6]-4:C[6,6]-4:O[5]-2:	B[5,6,6]-4:C[6a]-3:C[5]-3:	B[5,6,6]-4:C[5]-3:	B[5,6,6](C[5]C[6a]C[5])(C[6,6]C[6]2H)2(O[5]C[5])	C[5](B[5,6,6]C[6,6]2O[5])(C[6a]C[6a]2)(C[5]C[5]C)	O[5](B[5,6,6]C[6,6]2C[5])(C[5]C[5]O)	B[5,6,6](C[5]C[6a]C[5])(C[6,6]C[6]2H)2(O[5]C[5]){1|O<2>,2|C<3>,3|C<4>,8|H<1>}	C[5](B[5,6,6]C[6,6]2O[5])(C[6a]C[6a]2)(C[5]C[5]C){1|O<2>,2|C<3>,4|C<4>,4|H<1>}	O[5](B[5,6,6]C[6,6]2C[5])(C[5]C[5]O){1|C<3>,2|H<1>,5|C<4>}	98.2090	0.000	1	98.2090	0.000	1	98.2090	0.000	1	98.2090	0.000	1	98.2090	0.000	1	97.4094	1.279	2
786	818	976	5:SP3_SP2_SP3	B[5]	C[5]	O[5]	3:3:3:2:	4:3:1:	4:4:	C[6a]-3:C[6a]-3:C[5]-3:O[5]-2:	B[5]-4:C[5]-3:H-1:	B[5]-4:P[5]-4:	B[5](C[6a]C[6a]2)2(C[5]C[5]H)(O[5]P[5])	C[5](B[5]C[6a]2O[5])(C[5]C[6a]P[5])(H)	O[5](B[5]C[6a]2C[5])(P[5]C[6a]2C[5])	B[5](C[6a]C[6a]2)2(C[5]C[5]H)(O[5]P[5]){4|F<1>,7|C<3>}	C[5](B[5]C[6a]2O[5])(C[5]C[6a]P[5])(H){8|C<3>}	O[5](B[5]C[6a]2C[5])(P[5]C[6a]2C[5]){1|H<1>,9|C<3>}	99.7722	0.874	2	99.7722	0.763	2	99.7722	0.763	2	99.7722	0.763	2	102.3454	4.472	6	102.3454	4.472	6
786	818	976	5:SP3_SP2_SP3	B[5]	C[5]	O[5]	3:3:3:2:	4:4:3:	4:4:	C[6a]-3:C[6a]-3:C[5]-3:O[5]-2:	B[5]-4:P[5]-4:C-3:	B[5]-4:C[5]-4:	B[5](C[6a]C[6a]2)2(C[5]P[5]C)(O[5]C[5])	C[5](B[5]C[6a]2O[5])(P[5]C[6a]2C[5])(CCH)	O[5](B[5]C[6a]2C[5])(C[5]C[6a]P[5]H)	B[5](C[6a]C[6a]2)2(C[5]P[5]C)(O[5]C[5]){1|H<1>,4|F<1>,7|C<3>}	C[5](B[5]C[6a]2O[5])(P[5]C[6a]2C[5])(CCH){1|H<1>,9|C<3>}	O[5](B[5]C[6a]2C[5])(C[5]C[6a]P[5]H){9|C<3>}	102.5570	0.000	1	102.5570	0.000	1	103.6320	0.577	4	103.6320	0.577	4	102.3454	4.472	6	102.3454	4.472	6
786	818	976	5:SP3_SP2_SP3	B[5]	C[5]	O[5]	3:3:3:2:	4:4:3:	4:4:	C[6a]-3:C[6a]-3:C[5]-3:O[5]-2:	B[5]-4:P[5]-4:C-3:	B[5]-4:C[5]-4:	B[5](C[6a]C[6a]2)2(C[5]P[5]C)(O[5]C[5])	C[5](B[5]C[6a]2O[5])(P[5]C[6a]2C[5])(CCH)	O[5](B[5]C[6a]2C[5])(C[5]P[5]CH)	B[5](C[6a]C[6a]2)2(C[5]P[5]C)(O[5]C[5]){1|H<1>,4|F<1>,7|C<3>}	C[5](B[5]C[6a]2O[5])(P[5]C[6a]2C[5])(CCH){1|H<1>,9|C<3>}	O[5](B[5]C[6a]2C[5])(C[5]P[5]CH){7|C<3>}	103.6500	0.000	1	103.6500	0.000	1	103.6320	0.577	4	103.6320	0.577	4	102.3454	4.472	6	102.3454	4.472	6
786	818	976	5:SP3_SP2_SP3	B[5]	C[5]	O[5]	3:3:3:2:	4:4:3:	4:4:	C[6a]-3:C[6a]-3:C[5]-3:O[5]-2:	B[5]-4:P[5]-4:C-3:	B[5]-4:C[5]-4:	B[5](C[6a]C[6a]2)2(C[5]P[5]C)(O[5]C[5])	C[5](B[5]C[6a]2O[5])(P[5]C[6a]C[5]H)(CCH)	O[5](B[5]C[6a]2C[5])(C[5]P[5]CC)	B[5](C[6a]C[6a]2)2(C[5]P[5]C)(O[5]C[5]){1|C<2>,1|C<4>,1|H<1>,4|F<1>,5|C<3>}	C[5](B[5]C[6a]2O[5])(P[5]C[6a]C[5]H)(CCH){1|C<2>,1|C<4>,6|C<3>}	O[5](B[5]C[6a]2C[5])(C[5]P[5]CC){1|H<1>,6|C<3>}	104.1605	0.124	2	104.1605	0.015	2	103.6320	0.577	4	103.6320	0.577	4	102.3454	4.472	6	102.3454	4.472	6
786	818	983	0:SP3_SP1_SP2	B[5]	C[5]	C	3:2:2:2:	3:4:4:	4:1:	C[5]-3:Se[5]-2:Se[5]-2:C-2:	N[5]-3:B[5]-4:C[5]-4:	B[5]-4:N-1:	B[5](C[5]C[5]N[5])(Se[5]Se[5])(Se[5]B[5])(CN)	C[5](N[5]C[6a]C[5])(B[5]Se[5]2C)(C[5]C[5]CC)	C(B[5]Se[5]2C[5])(N)	B[5](C[5]C[5]N[5])(Se[5]Se[5])(Se[5]B[5])(CN){1|C<2>,2|C<3>,4|C<4>}	C[5](N[5]C[6a]C[5])(B[5]Se[5]2C)(C[5]C[5]CC){1|Se<2>,1|B<4>,2|C<3>,2|C<4>,2|H<1>}	C(B[5]Se[5]2C[5])(N)	117.2940	0.000	1	117.2940	0.000	1	117.2940	0.000	1	117.2940	0.000	1	106.6063	66.493	4	106.6063	66.493	4
786	818	983	0:SP3_SP1_SP2	B[5]	C[5]	C	3:3:3:2:	4:3:3:	4:1:	C[5]-3:C[5]-3:C[6a]-3:C-2:	B[5]-4:C[5]-3:C[6a]-3:	B[5]-4:O-1:	B[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)(CO)	C[5](B[5]C[6a]C[5]C)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C(B[5]C[6a]C[5]2)(O)	B[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)(CO){2|F<1>,8|C<3>}	C[5](B[5]C[6a]C[5]C)(C[5]C[6a]C[5])(C[6a]C[6a]2){2|F<1>,8|C<3>}	C(B[5]C[6a]C[5]2)(O)	100.4492	2.605	2	100.4492	6.785	2	100.4492	6.785	2	100.4492	6.785	2	106.6063	66.493	4	106.6063	66.493	4
786	818	983	0:SP3_SP1_SP2	B[5]	C[5]	C	4:3:3:2:	4:3:3:	4:2:	C[5]-4:C[5]-3:C[6a]-3:C-2:	B[5]-4:C[5]-3:C[6a]-3:	B[5]-4:N-2:	B[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(C[6a]C[6a]2)(CN)	C[5](B[5]C[6a]C[5]C)(C[5]C[3]C[5])(C[6a]C[6a]2)	C(B[5]C[6a]C[5]2)(NC)	B[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(C[6a]C[6a]2)(CN){1|H<1>,2|C<4>,2|F<1>,6|C<3>}	C[5](B[5]C[6a]C[5]C)(C[5]C[3]C[5])(C[6a]C[6a]2){2|F<1>,3|C<4>,3|H<1>,5|C<3>}	C(B[5]C[6a]C[5]2)(NC)	108.2330	0.000	1	108.2330	0.000	1	108.2330	0.000	1	108.2330	0.000	1	106.6063	66.493	4	106.6063	66.493	4
786	818	992	0:SP3_SP2_SP3	B[5]	C[5]	P	3:3:3:4:	4:3:3:	4:3:1:1:	C[5]-3:C[5]-3:C[6a]-3:P-4:	B[5]-4:C[5]-3:C[6a]-3:	B[5]-4:C[6a]-3:H-1:H-1:	B[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)(PC[6a]HH)	C[5](B[5]C[6a]C[5]P)(C[5]C[6a]C[5])(C[6a]C[6a]2)	P(B[5]C[6a]C[5]2)(C[6a]C[6a]2)(H)2	B[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)(PC[6a]HH){2|H<1>,8|C<3>}	C[5](B[5]C[6a]C[5]P)(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,8|C<3>}	P(B[5]C[6a]C[5]2)(C[6a]C[6a]2)(H)2	100.9626	4.669	2	100.9626	21.798	2	100.9626	21.798	2	100.9626	21.798	2	100.9626	21.798	2	100.9626	21.798	2
786	818	997	0:SP3_SP2_SP3	B[5]	C[5]	Se[5]	3:2:2:2:	3:4:4:	4:2:	C[5]-3:Se[5]-2:Se[5]-2:C-2:	N[5]-3:B[5]-4:C[5]-4:	B[5]-4:Se[5]-2:	B[5](C[5]C[5]N[5])(Se[5]Se[5])(Se[5]B[5])(CN)	C[5](N[5]C[6a]C[5])(B[5]Se[5]2C)(C[5]C[5]CC)	Se[5](B[5]Se[5]C[5]C)(Se[5]B[5])	B[5](C[5]C[5]N[5])(Se[5]Se[5])(Se[5]B[5])(CN){1|C<2>,2|C<3>,4|C<4>}	C[5](N[5]C[6a]C[5])(B[5]Se[5]2C)(C[5]C[5]CC){1|Se<2>,1|B<4>,2|C<3>,2|C<4>,2|H<1>}	Se[5](B[5]Se[5]C[5]C)(Se[5]B[5]){1|C<2>,1|C<3>,1|C<4>,1|N<3>}	110.8230	0.000	1	110.8230	0.000	1	110.8230	0.000	1	110.8230	0.000	1	107.6285	20.410	2	107.6285	20.410	2
786	818	997	0:SP3_SP2_SP3	B[5]	C[5]	Se[5]	3:2:2:2:	3:4:4:	4:4:	C[5]-3:Se[5]-2:Se[5]-2:C-2:	N[5]-3:B[5]-4:C[5]-4:	B[5]-4:B[5]-4:	B[5](C[5]C[5]N[5])(Se[5]Se[5])(Se[5]B[5])(CN)	C[5](N[5]C[6a]C[5])(B[5]Se[5]2C)(C[5]C[5]CC)	Se[5](B[5]Se[5]C[5]C)2	B[5](C[5]C[5]N[5])(Se[5]Se[5])(Se[5]B[5])(CN){1|C<2>,2|C<3>,4|C<4>}	C[5](N[5]C[6a]C[5])(B[5]Se[5]2C)(C[5]C[5]CC){1|Se<2>,1|B<4>,2|C<3>,2|C<4>,2|H<1>}	Se[5](B[5]Se[5]C[5]C)2{2|C<4>,2|N<3>}	104.4340	0.000	1	104.4340	0.000	1	104.4340	0.000	1	104.4340	0.000	1	107.6285	20.410	2	107.6285	20.410	2
786	818	999	5:SP3_SP2_SP3	B[5]	C[5]	N[5]	4:3:1:1:	4:3:1:	4:4:4:4:	N[5]-4:C[5]-3:H-1:H-1:	B[5]-4:C[5]-3:H-1:	B[5]-4:C[5]-4:C-4:C-4:	B[5](N[5]C[5]CC)(C[5]C[5]H)(H)2	C[5](B[5]N[5]HH)(C[5]C[5]C)(H)	N[5](B[5]C[5]HH)(C[5]C[5]HH)(CC[6a]HH)(CH3)	B[5](N[5]C[5]CC)(C[5]C[5]H)(H)2{1|C<4>,2|H<1>}	C[5](B[5]N[5]HH)(C[5]C[5]C)(H){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>}	97.9125	0.000	1	97.9125	0.000	1	97.9125	0.000	1	97.9125	0.000	1	97.9125	0.000	1	97.9125	0.000	1
786	830	830	0:SP3_SP-NON_SP-NON	B[5]	F	F	2:2:1:1:	4:	4:	O[5]-2:O[5]-2:F-1:F-1:	B[5]-4:	B[5]-4:	B[5](O[5]C[5,5])2(F)2	F(B[5]O[5]2F)	F(B[5]O[5]2F)	B[5](O[5]C[5,5])2(F)2{2|H<1>,2|N<3>}	F(B[5]O[5]2F)	F(B[5]O[5]2F)	108.1780	0.351	4	108.1780	0.123	4	109.6585	0.868	17	109.6585	0.868	17	109.8577	0.965	26	109.8577	0.965	26
786	830	830	0:SP3_SP-NON_SP-NON	B[5]	F	F	2:2:1:1:	4:	4:	O[5]-2:O[5]-2:F-1:F-1:	B[5]-4:	B[5]-4:	B[5](O[5]C[5])2(F)2	F(B[5]O[5]2F)	F(B[5]O[5]2F)	B[5](O[5]C[5])2(F)2{1|C<3>,1|C<4>,1|N<3>}	F(B[5]O[5]2F)	F(B[5]O[5]2F)	110.1140	0.414	13	110.1140	0.171	13	109.6585	0.868	17	109.6585	0.868	17	109.8577	0.965	26	109.8577	0.965	26
786	830	830	0:SP3_SP-NON_SP-NON	B[5]	F	F	3:2:1:1:	4:	4:	C[5,5a]-3:O[5]-2:F-1:F-1:	B[5]-4:	B[5]-4:	B[5](C[5,5a]N[5,5a]C[5a])(O[5]C[5])(F)2	F(B[5]C[5,5a]O[5]F)	F(B[5]C[5,5a]O[5]F)	B[5](C[5,5a]N[5,5a]C[5a])(O[5]C[5])(F)2{1|C<4>,1|O<1>,2|C<3>}	F(B[5]C[5,5a]O[5]F)	F(B[5]C[5,5a]O[5]F)	109.0835	0.035	2	109.0835	0.001	2	109.0835	0.001	2	110.3275	1.156	6	109.8577	0.965	26	109.8577	0.965	26
786	830	830	0:SP3_SP-NON_SP-NON	B[5]	F	F	3:2:1:1:	4:	4:	N[5,6]-3:O[5]-2:F-1:F-1:	B[5]-4:	B[5]-4:	B[5](N[5,6]N[5,6]C[6])(O[5]C[5])(F)2	F(B[5]N[5,6]O[5]F)	F(B[5]N[5,6]O[5]F)	B[5](N[5,6]N[5,6]C[6])(O[5]C[5])(F)2{1|B<4>,1|C<3>,1|C<4>,1|H<1>}	F(B[5]N[5,6]O[5]F)	F(B[5]N[5,6]O[5]F)	111.3150	0.000	1	110.9495	0.379	4	110.9495	0.379	4	110.3275	1.156	6	109.8577	0.965	26	109.8577	0.965	26
786	830	830	0:SP3_SP-NON_SP-NON	B[5]	F	F	3:2:1:1:	4:	4:	N[5,6]-3:O[5]-2:F-1:F-1:	B[5]-4:	B[5]-4:	B[5](N[5,6]N[5,6]C[6])(O[5]C[5])(F)2	F(B[5]N[5,6]O[5]F)	F(B[5]N[5,6]O[5]F)	B[5](N[5,6]N[5,6]C[6])(O[5]C[5])(F)2{1|B<4>,1|H<1>,2|C<3>}	F(B[5]N[5,6]O[5]F)	F(B[5]N[5,6]O[5]F)	110.8277	0.692	3	110.9495	0.379	4	110.9495	0.379	4	110.3275	1.156	6	109.8577	0.965	26	109.8577	0.965	26
786	830	830	0:SP3_SP-NON_SP-NON	B[5]	F	F	3:3:1:1:	4:	4:	N[5,6]-3:N[5,5]-3:F-1:F-1:	B[5]-4:	B[5]-4:	B[5](N[5,6]C[6,6a]C[5,6])(N[5,5]C[5,6]N[5,5])(F)2	F(B[5]N[5,5]N[5,6]F)	F(B[5]N[5,5]N[5,6]F)	B[5](N[5,6]C[6,6a]C[5,6])(N[5,5]C[5,6]N[5,5])(F)2{1|B<4>,1|N<2>,1|N<3>,3|C<3>}	F(B[5]N[5,5]N[5,6]F)	F(B[5]N[5,5]N[5,6]F)	111.2310	0.000	1	111.2310	0.000	1	111.2310	0.000	1	111.2310	0.000	1	109.8577	0.965	26	109.8577	0.965	26
786	830	830	0:SP3_SP-NON_SP-NON	B[5]	F	F	3:4:1:1:	4:	4:	C[5,6a]-3:N[5]-4:F-1:F-1:	B[5]-4:	B[5]-4:	B[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]CC)(F)2	F(B[5]C[5,6a]N[5]F)	F(B[5]C[5,6a]N[5]F)	B[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]CC)(F)2{1|H<1>,3|C<3>}	F(B[5]C[5,6a]N[5]F)	F(B[5]C[5,6a]N[5]F)	109.0990	0.000	1	109.0990	0.000	1	109.0990	0.000	1	109.4545	0.253	2	109.8577	0.965	26	109.8577	0.965	26
786	830	830	0:SP3_SP-NON_SP-NON	B[5]	F	F	3:4:1:1:	4:	4:	N[5]-3:P[5]-4:F-1:F-1:	B[5]-4:	B[5]-4:	B[5](N[5]C[5,6a]C[6a])(P[5]C[5,6a]CC)(F)2	F(B[5]N[5]P[5]F)	F(B[5]N[5]P[5]F)	B[5](N[5]C[5,6a]C[6a])(P[5]C[5,6a]CC)(F)2{4|C<3>}	F(B[5]N[5]P[5]F)	F(B[5]N[5]P[5]F)	109.8100	0.000	1	109.8100	0.000	1	109.8100	0.000	1	109.4545	0.253	2	109.8577	0.965	26	109.8577	0.965	26
786	830	955	0:SP3_SP-NON_SP3	B[5]	F	P[5]	3:4:1:1:	4:	3:4:4:4:	N[5]-3:P[5]-4:F-1:F-1:	B[5]-4:	C[5,6a]-3:B[5]-4:C-4:C-4:	B[5](N[5]C[5,6a]C[6a])(P[5]C[5,6a]CC)(F)2	F(B[5]N[5]P[5]F)	P[5](C[5,6a]C[5,6a]C[6a])(B[5]N[5]FF)(CCCH)2	B[5](N[5]C[5,6a]C[6a])(P[5]C[5,6a]CC)(F)2{4|C<3>}	F(B[5]N[5]P[5]F)	P[5](C[5,6a]C[5,6a]C[6a])(B[5]N[5]FF)(CCCH)2{1|H<1>,3|C<3>}	111.0835	4.641	2	111.0835	21.536	2	111.0835	21.536	2	111.0835	21.536	2	111.0835	21.536	2	111.0835	21.536	2
786	830	976	0:SP3_SP-NON_SP2	B[5]	F	O[5]	2:2:1:1:	4:	3:4:	O[5]-2:O[5]-2:F-1:F-1:	B[5]-4:	C[5]-3:B[5]-4:	B[5](O[5]C[5])2(F)2	F(B[5]O[5]2F)	O[5](C[5]C[5]N[5])(B[5]O[5]FF)	B[5](O[5]C[5])2(F)2{1|C<3>,1|C<4>,1|N<3>}	F(B[5]O[5]2F)	O[5](C[5]C[5]N[5])(B[5]O[5]FF){1|C<3>,3|C<4>}	107.5545	1.181	8	107.5545	1.394	8	107.9351	1.290	18	107.9351	1.290	18	108.6299	3.366	38	108.6299	3.366	38
786	830	976	0:SP3_SP-NON_SP2	B[5]	F	O[5]	2:2:1:1:	4:	3:4:	O[5]-2:O[5]-2:F-1:F-1:	B[5]-4:	C[5]-3:B[5]-4:	B[5](O[5]C[5])2(F)2	F(B[5]O[5]2F)	O[5](C[5]C[5]N[6])(B[5]O[5]FF)	B[5](O[5]C[5])2(F)2{1|C<3>,1|C<4>,1|N<3>}	F(B[5]O[5]2F)	O[5](C[5]C[5]N[6])(B[5]O[5]FF){1|C<3>,3|C<4>}	108.2395	1.058	10	108.2395	1.120	10	107.9351	1.290	18	107.9351	1.290	18	108.6299	3.366	38	108.6299	3.366	38
786	830	976	0:SP3_SP-NON_SP2	B[5]	F	O[5]	2:2:1:1:	4:	4:3:	O[5]-2:O[5]-2:F-1:F-1:	B[5]-4:	B[5]-4:C[5]-3:	B[5](O[5]C[5])2(F)2	F(B[5]O[5]2F)	O[5](B[5]O[5]FF)(C[5]C[5]N)	B[5](O[5]C[5])2(F)2{1|C<3>,1|C<4>,1|N<3>}	F(B[5]O[5]2F)	O[5](B[5]O[5]FF)(C[5]C[5]N){1|C<3>,1|C<4>}	108.2730	0.663	8	108.2730	0.440	8	108.2730	0.440	8	108.2730	0.440	8	108.6299	3.366	38	108.6299	3.366	38
786	830	976	0:SP3_SP-NON_SP2	B[5]	F	O[5]	3:2:1:1:	4:	3:4:	N[5,6]-3:O[5]-2:F-1:F-1:	B[5]-4:	C[5]-3:B[5]-4:	B[5](N[5,6]N[5,6]C[6])(O[5]C[5])(F)2	F(B[5]N[5,6]O[5]F)	O[5](C[5]N[5,6]C[5a])(B[5]N[5,6]FF)	B[5](N[5,6]N[5,6]C[6])(O[5]C[5])(F)2{1|B<4>,1|H<1>,2|C<3>}	F(B[5]N[5,6]O[5]F)	O[5](C[5]N[5,6]C[5a])(B[5]N[5,6]FF){1|B<4>,1|N<3>,2|C<3>}	111.8058	0.460	4	111.6870	0.166	6	111.6870	0.166	6	111.6870	0.166	6	108.6299	3.366	38	108.6299	3.366	38
786	830	976	0:SP3_SP-NON_SP2	B[5]	F	O[5]	3:2:1:1:	4:	3:4:	N[5,6]-3:O[5]-2:F-1:F-1:	B[5]-4:	C[5]-3:B[5]-4:	B[5](N[5,6]N[5,6]C[6])(O[5]C[5])(F)2	F(B[5]N[5,6]O[5]F)	O[5](C[5]N[5,6]C[5a])(B[5]N[5,6]FF)	B[5](N[5,6]N[5,6]C[6])(O[5]C[5])(F)2{1|B<4>,1|H<1>,2|C<3>}	F(B[5]N[5,6]O[5]F)	O[5](C[5]N[5,6]C[5a])(B[5]N[5,6]FF){1|B<4>,1|O<2>,2|C<3>}	111.4495	0.172	2	111.6870	0.166	6	111.6870	0.166	6	111.6870	0.166	6	108.6299	3.366	38	108.6299	3.366	38
786	830	976	0:SP3_SP-NON_SP2	B[5]	F	O[5]	3:2:1:1:	4:	4:3:	C[5,5a]-3:O[5]-2:F-1:F-1:	B[5]-4:	B[5]-4:C[5]-3:	B[5](C[5,5a]N[5,5a]C[5a])(O[5]C[5])(F)2	F(B[5]C[5,5a]O[5]F)	O[5](B[5]C[5,5a]FF)(C[5]N[5,5a]O)	B[5](C[5,5a]N[5,5a]C[5a])(O[5]C[5])(F)2{1|C<4>,1|O<1>,2|C<3>}	F(B[5]C[5,5a]O[5]F)	O[5](B[5]C[5,5a]FF)(C[5]N[5,5a]O){2|C<3>}	106.5337	0.150	4	106.5337	0.022	4	106.5337	0.022	4	108.1335	6.290	6	108.6299	3.366	38	108.6299	3.366	38
786	830	976	0:SP3_SP-NON_SP2	B[5]	F	O[5]	3:2:1:1:	4:	4:3:	N[5,6]-3:O[5]-2:F-1:F-1:	B[5]-4:	B[5]-4:C[5]-3:	B[5](N[5,6]N[5,6]C[6])(O[5]C[5])(F)2	F(B[5]N[5,6]O[5]F)	O[5](B[5]N[5,6]FF)(C[5]N[5,6]C)	B[5](N[5,6]N[5,6]C[6])(O[5]C[5])(F)2{1|B<4>,1|C<3>,1|C<4>,1|H<1>}	F(B[5]N[5,6]O[5]F)	O[5](B[5]N[5,6]FF)(C[5]N[5,6]C){1|B<4>,1|C<3>}	111.3330	0.819	2	111.3330	0.670	2	111.3330	0.670	2	108.1335	6.290	6	108.6299	3.366	38	108.6299	3.366	38
786	830	976	0:SP3_SP-NON_SP3	B[5]	F	O[5]	2:2:1:1:	4:	4:4:	O[5]-2:O[5]-2:F-1:F-1:	B[5]-4:	B[5]-4:C[5]-4:	B[5](O[5]C[5])2(F)2	F(B[5]O[5]2F)	O[5](B[5]O[5]FF)(C[5]C[5]CC)	B[5](O[5]C[5])2(F)2{1|C<3>,1|C<4>,1|N<3>}	F(B[5]O[5]2F)	O[5](B[5]O[5]FF)(C[5]C[5]CC){1|N<3>}	113.6664	0.581	26	113.6664	0.337	26	113.6664	0.337	26	112.7338	1.998	40	112.5467	2.636	43	112.5467	2.636	43
786	830	976	0:SP3_SP-NON_SP3	B[5]	F	O[5]	2:2:1:1:	4:	4:4:	O[5]-2:O[5]-2:F-1:F-1:	B[5]-4:	C[5,5]-4:B[5]-4:	B[5](O[5]C[5,5])2(F)2	F(B[5]O[5]2F)	O[5](C[5,5]C[5,5]N[5]H)(B[5]O[5]FF)	B[5](O[5]C[5,5])2(F)2{2|H<1>,2|N<3>}	F(B[5]O[5]2F)	O[5](C[5,5]C[5,5]N[5]H)(B[5]O[5]FF){1|H<1>,1|N<3>,2|C<3>}	111.0017	0.611	14	111.0017	0.374	14	111.0017	0.374	14	112.7338	1.998	40	112.5467	2.636	43	112.5467	2.636	43
786	830	976	0:SP3_SP-NON_SP3	B[5]	F	O[5]	3:2:2:1:	4:	4:4:	C[5]-3:O[5]-2:O[5]-2:F-1:	B[5]-4:	B[5]-4:C[5]-4:	B[5](C[5]N[5]2)(O[5]C[5])2(F)	F(B[5]C[5]O[5]2)	O[5](B[5]C[5]O[5]F)(C[5]C[5]CC)	B[5](C[5]N[5]2)(O[5]C[5])2(F){2|C<3>,6|C<4>}	F(B[5]C[5]O[5]2)	O[5](B[5]C[5]O[5]F)(C[5]C[5]CC){2|C<4>,2|N<3>}	110.8010	3.059	2	110.8010	9.357	2	110.8010	9.357	2	110.8010	9.357	2	112.5467	2.636	43	112.5467	2.636	43
786	830	976	0:SP3_SP-NON_SP3	B[5]	F	O[5]	3:3:2:1:	4:	4:4:	C[5,6a]-3:C[6a]-3:O[5]-2:F-1:	B[5]-4:	B[5]-4:P[5]-4:	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]P[5])(F)	F(B[5]C[5,6a]C[6a]O[5])	O[5](B[5]C[5,6a]C[6a]F)(P[5]C[5,6a]C[6a]2)	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]P[5])(F){3|F<1>,6|C<3>}	F(B[5]C[5,6a]C[6a]O[5])	O[5](B[5]C[5,6a]C[6a]F)(P[5]C[5,6a]C[6a]2){8|C<3>}	108.5530	0.000	1	108.5530	0.000	1	108.5530	0.000	1	108.5530	0.000	1	112.5467	2.636	43	112.5467	2.636	43
786	830	999	0:SP3_SP-NON_SP3	B[5]	F	N[5]	3:4:1:1:	4:	3:4:4:4:	C[5,6a]-3:N[5]-4:F-1:F-1:	B[5]-4:	C[5,6a]-3:B[5]-4:C-4:C-4:	B[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]CC)(F)2	F(B[5]C[5,6a]N[5]F)	N[5](C[5,6a]C[5,6a,6a]C[6a])(B[5]C[5,6a]FF)(CH3)2	B[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]CC)(F)2{1|H<1>,3|C<3>}	F(B[5]C[5,6a]N[5]F)	N[5](C[5,6a]C[5,6a,6a]C[6a])(B[5]C[5,6a]FF)(CH3)2{1|H<1>,3|C<3>}	106.8730	0.109	2	106.8730	0.012	2	106.8730	0.012	2	106.8730	0.012	2	106.8730	0.012	2	106.8730	0.012	2
786	846	893	0:SP3_SP2_SP2	B[5]	C[4]	O	3:2:2:2:	4:3:3:	4:3:	C[4]-3:O[5]-2:O[5]-2:O-2:	B[5]-4:C[4]-3:C[4]-3:	B[5]-4:B[5]-3:	B[5](C[4]C[4]2)(O[5]C[5])2(OB[5])	C[4](B[5]O[5]2O)(C[4]C[4]N)2	O(B[5]C[4]O[5]2)(B[5]O[5]2)	B[5](C[4]C[4]2)(O[5]C[5])2(OB[5]){2|N<3>,5|C<4>}	C[4](B[5]O[5]2O)(C[4]C[4]N)2{2|C<4>,2|H<1>}	O(B[5]C[4]O[5]2)(B[5]O[5]2)	110.2720	0.000	1	110.2720	0.000	1	110.2720	0.000	1	110.2720	0.000	1	110.2720	0.000	1	110.2720	0.000	1
786	846	976	0:SP3_SP2_SP3	B[5]	C[4]	O[5]	3:2:2:2:	4:3:3:	4:4:	C[4]-3:O[5]-2:O[5]-2:O-2:	B[5]-4:C[4]-3:C[4]-3:	B[5]-4:C[5]-4:	B[5](C[4]C[4]2)(O[5]C[5])2(OB[5])	C[4](B[5]O[5]2O)(C[4]C[4]N)2	O[5](B[5]C[4]O[5]O)(C[5]C[5]CC)	B[5](C[4]C[4]2)(O[5]C[5])2(OB[5]){2|N<3>,5|C<4>}	C[4](B[5]O[5]2O)(C[4]C[4]N)2{2|C<4>,2|H<1>}	O[5](B[5]C[4]O[5]O)(C[5]C[5]CC){2|C<3>,2|C<4>}	110.9655	0.665	2	110.9655	0.443	2	110.9655	0.443	2	110.9655	0.443	2	110.9655	0.443	2	110.9655	0.443	2
786	854	976	0:SP3_SP3_SP3	B[5,6]	N[6]	O[5]	4:4:2:2:	4:4:4:1:	4:4:	C[6]-4:N[6]-4:O[5]-2:O[5]-2:	B[5,6]-4:C[6]-4:C-4:H-1:	B[5,6]-4:C[5]-4:	B[5,6](C[6]C[6]HH)(N[6]C[6]CH)(O[5]C[5])2	N[6](B[5,6]C[6]O[5]2)(C[6]C[6]HH)(CC[6a]HH)(H)	O[5](B[5,6]C[6]N[6]O[5])(C[5]C[5]HH)	B[5,6](C[6]C[6]HH)(N[6]C[6]CH)(O[5]C[5])2{1|C<4>,8|H<1>}	N[6](B[5,6]C[6]O[5]2)(C[6]C[6]HH)(CC[6a]HH)(H){3|C<4>,4|H<1>}	O[5](B[5,6]C[6]N[6]O[5])(C[5]C[5]HH){3|C<4>,5|H<1>}	107.1735	1.357	2	107.1735	1.841	2	107.1735	1.841	2	107.1735	1.841	2	107.1735	1.841	2	107.1735	1.841	2
786	856	856	0:SP3_SP2_SP2	B[5,6,6]	N[6,6]	N[6,6]	3:3:3:2:	4:3:4:	4:3:4:	O[5,6,6]-3:N[6,6]-3:N[6,6]-3:O[5]-2:	B[5,6,6]-4:C[3x6]-3:C[6]-4:	B[5,6,6]-4:C[3x6]-3:C[6]-4:	B[5,6,6](O[5,6,6]C[5,6a]B[6,6])(N[6,6]C[3x6]C[6])2(O[5]C[5,6a])	N[6,6](B[5,6,6]O[5,6,6]N[6,6]O[5])(C[3x6]N[6,6]2)(C[6]C[6]HH)	N[6,6](B[5,6,6]O[5,6,6]N[6,6]O[5])(C[3x6]N[6,6]2)(C[6]C[6]HH)	B[5,6,6](O[5,6,6]C[5,6a]B[6,6])(N[6,6]C[3x6]C[6])2(O[5]C[5,6a]){1|O<2>,2|C<3>,2|C<4>,4|H<1>,4|N<3>}	N[6,6](B[5,6,6]O[5,6,6]N[6,6]O[5])(C[3x6]N[6,6]2)(C[6]C[6]HH){1|B<4>,2|H<1>,3|C<3>,4|C<4>}	N[6,6](B[5,6,6]O[5,6,6]N[6,6]O[5])(C[3x6]N[6,6]2)(C[6]C[6]HH){1|B<4>,2|H<1>,3|C<3>,4|C<4>}	114.7120	0.000	1	114.7120	0.000	1	114.7120	0.000	1	114.7120	0.000	1	114.7120	0.000	1	109.6613	30.767	3
786	856	856	0:SP3_SP2_SP2	B[5]	N[6]	N[6]	3:3:2:2:	4:3:3:	4:3:3:	N[6]-3:N[6]-3:O[5]-2:O[5]-2:	B[5]-4:C[6]-3:C[6]-3:	B[5]-4:C[6]-3:C[6]-3:	B[5](N[6]C[6]2)2(O[5]C[5])2	N[6](B[5]N[6]O[5]2)(C[6]C[6]H)2	N[6](B[5]N[6]O[5]2)(C[6]C[6]H)2	B[5](N[6]C[6]2)2(O[5]C[5])2{4|C<3>,4|C<4>,4|H<1>}	N[6](B[5]N[6]O[5]2)(C[6]C[6]H)2{2|C<4>,2|H<1>,3|C<3>}	N[6](B[5]N[6]O[5]2)(C[6]C[6]H)2{2|C<4>,2|H<1>,3|C<3>}	103.7250	0.000	1	103.7250	0.000	1	103.7250	0.000	1	103.7250	0.000	1	107.1360	23.270	2	109.6613	30.767	3
786	856	856	0:SP3_SP2_SP2	B[5]	N[6]	N[6]	3:3:3:3:	4:3:3:	4:3:3:	C[5]-3:C[5]-3:N[6]-3:N[6]-3:	B[5]-4:C[6]-3:C[6]-3:	B[5]-4:C[6]-3:C[6]-3:	B[5](C[5]C[6a]C[5])2(N[6]C[6]2)2	N[6](B[5]C[5]2N[6])(C[6]C[6]H)2	N[6](B[5]C[5]2N[6])(C[6]C[6]H)2	B[5](C[5]C[6a]C[5])2(N[6]C[6]2)2{10|C<3>,4|H<1>}	N[6](B[5]C[5]2N[6])(C[6]C[6]H)2{2|H<1>,7|C<3>}	N[6](B[5]C[5]2N[6])(C[6]C[6]H)2{2|H<1>,7|C<3>}	110.5470	0.000	1	110.5470	0.000	1	110.5470	0.000	1	110.5470	0.000	1	107.1360	23.270	2	109.6613	30.767	3
786	856	916	6:SP3_SP2_SP3	B[5,6,6]	N[6,6]	O[5,6,6]	3:3:3:2:	4:3:4:	3:4:4:	O[5,6,6]-3:N[6,6]-3:N[6,6]-3:O[5]-2:	B[5,6,6]-4:C[3x6]-3:C[6]-4:	C[5,6a]-3:B[5,6,6]-4:B[6,6]-4:	B[5,6,6](O[5,6,6]C[5,6a]B[6,6])(N[6,6]C[3x6]C[6])2(O[5]C[5,6a])	N[6,6](B[5,6,6]O[5,6,6]N[6,6]O[5])(C[3x6]N[6,6]2)(C[6]C[6]HH)	O[5,6,6](C[5,6a]C[6a,6a]C[5,6a])(B[5,6,6]N[6,6]2O[5])(B[6,6]N[6,6]2O)	B[5,6,6](O[5,6,6]C[5,6a]B[6,6])(N[6,6]C[3x6]C[6])2(O[5]C[5,6a]){1|O<2>,2|C<3>,2|C<4>,4|H<1>,4|N<3>}	N[6,6](B[5,6,6]O[5,6,6]N[6,6]O[5])(C[3x6]N[6,6]2)(C[6]C[6]HH){1|B<4>,2|H<1>,3|C<3>,4|C<4>}	O[5,6,6](C[5,6a]C[6a,6a]C[5,6a])(B[5,6,6]N[6,6]2O[5])(B[6,6]N[6,6]2O){4|C<4>,5|C<3>}	106.3970	2.357	2	106.3970	5.558	2	106.3970	5.558	2	106.3970	5.558	2	106.3970	5.558	2	106.3970	5.558	2
786	856	941	0:SP3_SP2_SP2	B[5]	N[6]	N	3:3:3:2:	4:3:3:	4:2:	C[5,6a]-3:C[5,6a]-3:N[6]-3:N-2:	B[5]-4:C[6]-3:C[6]-3:	B[5]-4:N-2:	B[5](C[5,6a]C[5,6a]C[6a])2(N[6]C[6]2)(NN)	N[6](B[5]C[5,6a]2N)(C[6]C[6]H)2	N(B[5]C[5,6a]2N[6])(NN)	B[5](C[5,6a]C[5,6a]C[6a])2(N[6]C[6]2)(NN){4|H<1>,6|C<3>}	N[6](B[5]C[5,6a]2N)(C[6]C[6]H)2{2|H<1>,5|C<3>}	N(B[5]C[5,6a]2N[6])(NN)	102.5730	1.011	5	102.5730	1.022	5	102.5730	1.022	5	102.5730	1.022	5	102.5730	1.022	5	102.5730	1.022	5
786	856	976	0:SP3_SP2_SP2	B[5,6,6]	N[6,6]	O[5]	3:3:3:2:	4:3:4:	4:3:	O[5,6,6]-3:N[6,6]-3:N[6,6]-3:O[5]-2:	B[5,6,6]-4:C[3x6]-3:C[6]-4:	B[5,6,6]-4:C[5,6a]-3:	B[5,6,6](O[5,6,6]C[5,6a]B[6,6])(N[6,6]C[3x6]C[6])2(O[5]C[5,6a])	N[6,6](B[5,6,6]O[5,6,6]N[6,6]O[5])(C[3x6]N[6,6]2)(C[6]C[6]HH)	O[5](B[5,6,6]O[5,6,6]N[6,6]2)(C[5,6a]C[6a,6a]C[5,6a])	B[5,6,6](O[5,6,6]C[5,6a]B[6,6])(N[6,6]C[3x6]C[6])2(O[5]C[5,6a]){1|O<2>,2|C<3>,2|C<4>,4|H<1>,4|N<3>}	N[6,6](B[5,6,6]O[5,6,6]N[6,6]O[5])(C[3x6]N[6,6]2)(C[6]C[6]HH){1|B<4>,2|H<1>,3|C<3>,4|C<4>}	O[5](B[5,6,6]O[5,6,6]N[6,6]2)(C[5,6a]C[6a,6a]C[5,6a]){1|B<4>,2|C<4>,5|C<3>}	112.5720	0.380	2	112.5720	0.145	2	112.5720	0.145	2	112.5720	0.145	2	112.5720	0.145	2	112.5720	0.145	2
786	856	976	0:SP3_SP2_SP3	B[5,6]	N[6,6]	O[5]	3:3:2:2:	4:3:3:	4:4:	C[6,6a]-3:N[6,6]-3:O[5]-2:O[5]-2:	B[5,6]-4:C[6,6]-3:C[6]-3:	B[5,6]-4:C[5]-4:	B[5,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O[5]C[5])2	N[6,6](B[5,6]C[6,6a]O[5]2)(C[6,6]C[6]O[6])(C[6]C[6]H)	O[5](B[5,6]C[6,6a]N[6,6]O[5])(C[5]C[5]CC)	B[5,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O[5]C[5])2{1|O<2>,2|H<1>,4|C<3>,4|C<4>}	N[6,6](B[5,6]C[6,6a]O[5]2)(C[6,6]C[6]O[6])(C[6]C[6]H){2|C<4>,2|H<1>,3|C<3>}	O[5](B[5,6]C[6,6a]N[6,6]O[5])(C[5]C[5]CC){2|C<4>,4|C<3>}	108.2785	4.973	2	108.2785	24.732	2	108.2785	24.732	2	108.2785	24.732	2	108.2785	24.732	2	111.0845	8.417	14
786	856	976	0:SP3_SP2_SP3	B[5,6]	N[6]	O[5]	3:2:2:2:	4:2:3:	4:4:	N[6]-3:O[5]-2:O[5]-2:O[6]-2:	B[5,6]-4:N[6]-2:P-3:	B[5,6]-4:C[5]-4:	B[5,6](N[6]N[6]P)(O[5]C[5])2(O[6]C[6])	N[6](B[5,6]O[5]2O[6])(N[6]C[6])(PCC)	O[5](B[5,6]N[6]O[5]O[6])(C[5]C[5]CC)	B[5,6](N[6]N[6]P)(O[5]C[5])2(O[6]C[6]){1|C<3>,1|O<2>,4|C<4>}	N[6](B[5,6]O[5]2O[6])(N[6]C[6])(PCC){1|C<3>,1|H<1>,2|C<4>}	O[5](B[5,6]N[6]O[5]O[6])(C[5]C[5]CC){1|C<3>,1|N<2>,1|P<3>,2|C<4>}	114.0950	1.434	2	114.0950	2.056	2	113.9123	0.813	4	113.9123	0.813	4	111.9702	7.970	8	111.0845	8.417	14
786	856	976	0:SP3_SP2_SP3	B[5,6]	N[6]	O[5]	3:2:2:2:	4:2:3:	4:4:	N[6]-3:O[5]-2:O[5]-2:O[6]-2:	B[5,6]-4:N[6]-2:P-3:	B[5,6]-4:C[5]-4:	B[5,6](N[6]N[6]P)(O[5]C[5])2(O[6]C[6])	N[6](B[5,6]O[5]2O[6])(N[6]C[6])(PC[6a]2)	O[5](B[5,6]N[6]O[5]O[6])(C[5]C[5]CC)	B[5,6](N[6]N[6]P)(O[5]C[5])2(O[6]C[6]){1|C<3>,1|O<2>,4|C<4>}	N[6](B[5,6]O[5]2O[6])(N[6]C[6])(PC[6a]2){1|C<3>,1|H<1>,2|C<4>}	O[5](B[5,6]N[6]O[5]O[6])(C[5]C[5]CC){1|C<3>,1|N<2>,1|P<3>,2|C<4>}	113.7295	0.499	2	113.7295	0.249	2	113.9123	0.813	4	113.9123	0.813	4	111.9702	7.970	8	111.0845	8.417	14
786	856	976	0:SP3_SP2_SP3	B[5,6]	N[6]	O[5]	3:3:2:2:	4:3:4:	4:4:	C[6]-3:N[6]-3:O[5]-2:O[5]-2:	B[5,6]-4:C[6]-3:C-4:	B[5,6]-4:C[5]-4:	B[5,6](C[6]B[5]N[6])(N[6]C[6]C)(O[5]C[5])2	N[6](B[5,6]C[6]O[5]2)(C[6]C[6]H)(CCCH)	O[5](B[5,6]C[6]N[6]O[5])(C[5]C[5]HH)	B[5,6](C[6]B[5]N[6])(N[6]C[6]C)(O[5]C[5])2{1|C<4>,2|C<3>,2|O<2>,5|H<1>}	N[6](B[5,6]C[6]O[5]2)(C[6]C[6]H)(CCCH){1|B<4>,1|H<1>,1|N<3>,2|C<4>}	O[5](B[5,6]C[6]N[6]O[5])(C[5]C[5]HH){1|B<4>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	110.0282	2.780	4	110.0282	7.727	4	110.0282	7.727	4	110.0282	7.727	4	111.9702	7.970	8	111.0845	8.417	14
786	856	976	0:SP3_SP2_SP3	B[5]	N[6]	O[5]	3:3:2:2:	4:3:3:	4:4:	N[6]-3:N[6]-3:O[5]-2:O[5]-2:	B[5]-4:C[6]-3:C[6]-3:	B[5]-4:C[5]-4:	B[5](N[6]C[6]2)2(O[5]C[5])2	N[6](B[5]N[6]O[5]2)(C[6]C[6]H)2	O[5](B[5]N[6]2O[5])(C[5]C[5]CC)	B[5](N[6]C[6]2)2(O[5]C[5])2{4|C<3>,4|C<4>,4|H<1>}	N[6](B[5]N[6]O[5]2)(C[6]C[6]H)2{2|C<4>,2|H<1>,3|C<3>}	O[5](B[5]N[6]2O[5])(C[5]C[5]CC){2|C<4>,4|C<3>}	110.7160	1.453	4	110.7160	2.110	4	110.7160	2.110	4	110.7160	2.110	4	110.7160	2.110	4	111.0845	8.417	14
786	871	893	0:SP3_SP3_SP3	B[5]	O	O	3:2:3:2:	4:1:1:	4:1:	C[5,6a]-3:O[5]-2:O-3:O-2:	B[5]-4:H-1:H-1:	B[5]-4:H-1:	B[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(OHH)(OH)	O(B[5]C[5,6a]O[5]O)(H)2	O(B[5]C[5,6a]O[5]O)(H)	B[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(OHH)(OH){1|F<1>,1|O<2>,2|C<3>}	O(B[5]C[5,6a]O[5]O)(H)2	O(B[5]C[5,6a]O[5]O)(H)	108.9950	0.000	1	108.9950	0.000	1	108.9950	0.000	1	108.9950	0.000	1	108.9950	0.000	1	108.9950	0.000	1
786	871	976	0:SP3_SP2_SP3	B[5]	O	O[5]	3:2:3:2:	4:1:1:	4:3:	C[5,6a]-3:O[5]-2:O-3:O-2:	B[5]-4:H-1:H-1:	B[5]-4:B[5]-3:	B[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(OHH)(OH)	O(B[5]C[5,6a]O[5]O)(H)2	O[5](B[5]C[5,6a]OO)(B[5]C[5,6a]O)	B[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(OHH)(OH){1|F<1>,1|O<2>,2|C<3>}	O(B[5]C[5,6a]O[5]O)(H)2	O[5](B[5]C[5,6a]OO)(B[5]C[5,6a]O){2|C<3>}	110.2790	0.000	1	110.2790	0.000	1	110.2790	0.000	1	110.2790	0.000	1	110.2790	0.000	1	110.2790	0.000	1
786	891	909	0:SP3_SP3_SP3	B[5]	S[5]	S	3:2:2:1:	4:3:	4:3:	S[5]-3:S[5]-2:S-2:H-1:	B[5]-4:S[5]-3:	B[5]-4:S-3:	B[5](S[5]B[5]Ir)(S[5]S[5])(SS)(H)	S[5](B[5]S[5]HS)(S[5]B[5]Ir)	S(B[5]S[5]2H)(SIr2)	B[5](S[5]B[5]Ir)(S[5]S[5])(SS)(H){1|Ir<8>,1|H<1>,1|S<2>}	S[5](B[5]S[5]HS)(S[5]B[5]Ir){1|Ir<8>,1|H<1>,1|S<2>}	S(B[5]S[5]2H)(SIr2)	116.0580	0.000	1	116.0580	0.000	1	116.0580	0.000	1	116.0580	0.000	1	116.0580	0.000	1	116.0580	0.000	1
786	891	924	0:SP3_SP-NON_SP2	B[5]	S[5]	Br	3:2:1:1:	3:4:	4:	S[5]-3:S[5]-2:Br-1:Br-1:	C[5,6a]-3:B[5]-4:	B[5]-4:	B[5](S[5]C[5,6a]C)(S[5]C[5,6a])(Br)2	S[5](C[5,6a]C[5a,6a]C[5,6a])(B[5]S[5]Br2)	Br(B[5]S[5]2Br)	B[5](S[5]C[5,6a]C)(S[5]C[5,6a])(Br)2{2|C<3>}	S[5](C[5,6a]C[5a,6a]C[5,6a])(B[5]S[5]Br2){1|C<4>,1|S<2>,2|C<3>}	Br(B[5]S[5]2Br)	112.5295	1.158	2	112.5295	1.340	2	112.5295	1.340	2	112.5295	1.340	2	112.5295	1.340	2	112.5295	1.340	2
786	891	951	0:SP3_SP-NON_SP3	B[5]	S[5]	H	3:2:2:1:	4:3:	4:	S[5]-3:S[5]-2:S-2:H-1:	B[5]-4:S[5]-3:	B[5]-4:	B[5](S[5]B[5]Ir)(S[5]S[5])(SS)(H)	S[5](B[5]S[5]HS)(S[5]B[5]Ir)	H(B[5]S[5]2S)	B[5](S[5]B[5]Ir)(S[5]S[5])(SS)(H){1|Ir<8>,1|H<1>,1|S<2>}	S[5](B[5]S[5]HS)(S[5]B[5]Ir){1|Ir<8>,1|H<1>,1|S<2>}	H(B[5]S[5]2S)	106.8210	0.000	1	106.8210	0.000	1	106.8210	0.000	1	106.8210	0.000	1	110.2610	8.944	3	110.2610	8.944	3
786	891	951	0:SP3_SP-NON_SP3	B[5]	S[5]	H	3:2:3:1:	4:3:	4:	S[5]-3:S[5]-2:S-3:H-1:	B[5]-4:S[5]-3:	B[5]-4:	B[5](S[5]B[5]Ir)(S[5]S[5])(SIr2)(H)	S[5](B[5]S[5]HS)(S[5]B[5]Ir)	H(B[5]S[5]2S)	B[5](S[5]B[5]Ir)(S[5]S[5])(SIr2)(H){1|H<1>,1|S<2>}	S[5](B[5]S[5]HS)(S[5]B[5]Ir){1|Ir<8>,1|H<1>,1|S<2>}	H(B[5]S[5]2S)	112.2440	0.000	1	112.2440	0.000	1	111.9810	0.138	2	111.9810	0.138	2	110.2610	8.944	3	110.2610	8.944	3
786	891	951	0:SP3_SP-NON_SP3	B[5]	S[5]	H	3:2:3:1:	4:3:	4:	S[5]-3:S[5]-2:S-3:H-1:	B[5]-4:S[5]-3:	B[5]-4:	B[5](S[5]B[5]Rh)(S[5]S[5])(SRh2)(H)	S[5](B[5]S[5]HS)(S[5]B[5]Rh)	H(B[5]S[5]2S)	B[5](S[5]B[5]Rh)(S[5]S[5])(SRh2)(H){1|H<1>,1|S<2>}	S[5](B[5]S[5]HS)(S[5]B[5]Rh){1|Rh<8>,1|H<1>,1|S<2>}	H(B[5]S[5]2S)	111.7180	0.000	1	111.7180	0.000	1	111.9810	0.138	2	111.9810	0.138	2	110.2610	8.944	3	110.2610	8.944	3
786	892	951	0:SP3_SP-NON_SP3	B[5]	N	H	2:2:4:1:	4:4:1:1:	4:	O[5]-2:O[5]-2:N-4:H-1:	B[5]-4:C-4:H-1:H-1:	B[5]-4:	B[5](O[5]C[5])2(NCHH)(H)	N(B[5]O[5]2H)(CCHH)(H)2	H(B[5]O[5]2N)	B[5](O[5]C[5])2(NCHH)(H){4|C<4>}	N(B[5]O[5]2H)(CCHH)(H)2	H(B[5]O[5]2N)	111.1730	0.000	1	111.1730	0.000	1	111.1730	0.000	1	111.1730	0.000	1	111.1730	0.000	1	111.1730	0.000	1
786	892	955	0:SP3_SP3_SP3	B[5]	N	P[5]	3:4:3:4:	4:1:1:1:	3:4:3:3:	C[5,6a]-3:P[5]-4:C[6a]-3:N-4:	B[5]-4:H-1:H-1:H-1:	C[5,6a]-3:B[5]-4:C[6a]-3:C[6a]-3:	B[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]C[6a]2)(C[6a]C[6a]2)(NH3)	N(B[5]C[5,6a]C[6a]P[5])(H)3	P[5](C[5,6a]C[5,6a,6a]C[6a])(B[5]C[5,6a]C[6a]N)(C[6a]C[6a]2)2	B[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]C[6a]2)(C[6a]C[6a]2)(NH3){1|H<1>,2|C<4>,9|C<3>}	N(B[5]C[5,6a]C[6a]P[5])(H)3	P[5](C[5,6a]C[5,6a,6a]C[6a])(B[5]C[5,6a]C[6a]N)(C[6a]C[6a]2)2{5|H<1>,9|C<3>}	108.5630	0.000	1	108.5630	0.000	1	108.5630	0.000	1	108.5630	0.000	1	108.5630	0.000	1	108.5630	0.000	1
786	892	976	0:SP3_SP3_SP3	B[5]	N	O[5]	2:2:4:1:	4:4:1:1:	4:4:	O[5]-2:O[5]-2:N-4:H-1:	B[5]-4:C-4:H-1:H-1:	B[5]-4:C[5]-4:	B[5](O[5]C[5])2(NCHH)(H)	N(B[5]O[5]2H)(CCHH)(H)2	O[5](B[5]O[5]HN)(C[5]C[5]CC)	B[5](O[5]C[5])2(NCHH)(H){4|C<4>}	N(B[5]O[5]2H)(CCHH)(H)2	O[5](B[5]O[5]HN)(C[5]C[5]CC){2|C<4>}	108.7905	0.602	2	108.7905	0.362	2	108.7905	0.362	2	108.7905	0.362	2	108.7905	0.362	2	108.7905	0.362	2
786	893	893	0:SP3_SP2_SP2	B[5]	O	O	2:2:2:2:	4:3:	4:3:	O[5]-2:O[5]-2:O-2:O-2:	B[5]-4:C-3:	B[5]-4:C-3:	B[5](O[5]C[5])2(OC)2	O(B[5]O[5]2O)(CHO)	O(B[5]O[5]2O)(CHO)	B[5](O[5]C[5])2(OC)2{4|C<4>}	O(B[5]O[5]2O)(CHO)	O(B[5]O[5]2O)(CHO)	103.4600	0.000	1	103.4600	0.000	1	103.4600	0.000	1	103.4600	0.000	1	111.9218	28.152	10	111.9218	28.152	10
786	893	893	0:SP3_SP2_SP2	B[5]	O	O	3:2:2:2:	4:3:	4:3:	O[5]-3:O[5]-2:O-2:O-2:	B[5]-4:C-3:	B[5]-4:C-3:	B[5](O[5]C[5]Co)(O[5]C[5])(OC)2	O(B[5]O[5]2O)(CCO)	O(B[5]O[5]2O)(CCO)	B[5](O[5]C[5]Co)(O[5]C[5])(OC)2{4|C<4>}	O(B[5]O[5]2O)(CCO)	O(B[5]O[5]2O)(CCO)	105.5400	0.000	1	105.5400	0.000	1	105.2725	0.143	2	105.2725	0.143	2	111.9218	28.152	10	111.9218	28.152	10
786	893	893	0:SP3_SP2_SP2	B[5]	O	O	3:2:2:2:	4:3:	4:3:	O[5]-3:O[5]-2:O-2:O-2:	B[5]-4:C-3:	B[5]-4:C-3:	B[5](O[5]C[5]Cu)(O[5]C[5])(OC)2	O(B[5]O[5]2O)(CSiO)	O(B[5]O[5]2O)(CSiO)	B[5](O[5]C[5]Cu)(O[5]C[5])(OC)2{4|C<4>}	O(B[5]O[5]2O)(CSiO)	O(B[5]O[5]2O)(CSiO)	105.0050	0.000	1	105.0050	0.000	1	105.2725	0.143	2	105.2725	0.143	2	111.9218	28.152	10	111.9218	28.152	10
786	893	893	0:SP3_SP2_SP2	B[5]	O	O	3:3:2:2:	4:3:	4:3:	C[5,6a]-3:N[5]-3:O-2:O-2:	B[5]-4:C[6a]-3:	B[5]-4:C[6a]-3:	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(OC[6a])2	O(B[5]C[5,6a]N[5]O)(C[6a]C[6a]2)	O(B[5]C[5,6a]N[5]O)(C[6a]C[6a]2)	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(OC[6a])2{2|C<3>,2|H<1>}	O(B[5]C[5,6a]N[5]O)(C[6a]C[6a]2)	O(B[5]C[5,6a]N[5]O)(C[6a]C[6a]2)	114.6965	1.773	2	114.6965	3.143	2	114.6610	1.575	3	114.6610	1.575	3	111.9218	28.152	10	111.9218	28.152	10
786	893	893	0:SP3_SP2_SP2	B[5]	O	O	3:3:2:2:	4:3:	4:3:	C[5,6a]-3:N[5]-3:O-2:O-2:	B[5]-4:C[6a]-3:	B[5]-4:C[6a]-3:	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N)(OC[6a])2	O(B[5]C[5,6a]N[5]O)(C[6a]C[6a]2)	O(B[5]C[5,6a]N[5]O)(C[6a]C[6a]2)	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N)(OC[6a])2{1|H<1>,3|C<3>}	O(B[5]C[5,6a]N[5]O)(C[6a]C[6a]2)	O(B[5]C[5,6a]N[5]O)(C[6a]C[6a]2)	114.5900	0.000	1	114.5900	0.000	1	114.6610	1.575	3	114.6610	1.575	3	111.9218	28.152	10	111.9218	28.152	10
786	893	893	0:SP3_SP2_SP2	B[5]	O	O	3:4:2:2:	4:3:	4:3:	C[5,6a]-3:N[5,5]-4:O-2:O-2:	B[5]-4:C[6a]-3:	B[5]-4:C[6a]-3:	B[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5]H)(OC[6a])2	O(B[5]C[5,6a]N[5,5]O)(C[6a]C[6a]2)	O(B[5]C[5,6a]N[5,5]O)(C[6a]C[6a]2)	B[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5]H)(OC[6a])2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O(B[5]C[5,6a]N[5,5]O)(C[6a]C[6a]2)	O(B[5]C[5,6a]N[5,5]O)(C[6a]C[6a]2)	112.9960	0.000	2	112.9960	0.000	2	112.9960	0.000	2	112.9960	0.000	2	111.9218	28.152	10	111.9218	28.152	10
786	893	893	0:SP3_SP2_SP2	B[5]	O	O	6:3:2:2:	4:3:	4:3:	C[5x3,6x5,20x6]-6:N[5]-3:O-2:O-2:	B[5]-4:C-3:	B[5]-4:C-3:	B[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(N[5]C[6a]C[5])(OC)2	O(B[5]C[5x3,6x5,20x6]N[5]O)(CCO)	O(B[5]C[5x3,6x5,20x6]N[5]O)(CCO)	B[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(N[5]C[6a]C[5])(OC)2{1|C<4>,2|C<3>,4|H<1>,5|B<6>}	O(B[5]C[5x3,6x5,20x6]N[5]O)(CCO)	O(B[5]C[5x3,6x5,20x6]N[5]O)(CCO)	117.6190	0.557	2	117.6190	0.310	2	117.6190	0.310	2	117.6190	0.310	2	111.9218	28.152	10	111.9218	28.152	10
786	893	893	0:SP3_SP3_SP3	B[5]	O	O	2:2:2:2:	4:4:	4:4:	O[5]-2:O[5]-2:O-2:O-2:	B[5]-4:P-4:	B[5]-4:P-4:	B[5](O[5]C[5])2(OP)2	O(B[5]O[5]2O)(PC[6a]2O)	O(B[5]O[5]2O)(PC[6a]2O)	B[5](O[5]C[5])2(OP)2{2|O<1>}	O(B[5]O[5]2O)(PC[6a]2O)	O(B[5]O[5]2O)(PC[6a]2O)	110.2760	0.000	1	110.2760	0.000	1	110.2760	0.000	1	110.2760	0.000	1	113.6363	12.928	8	113.6363	12.928	8
786	893	893	0:SP3_SP3_SP3	B[5]	O	O	3:2:2:2:	4:1:	4:1:	C[5,6a]-3:O[5]-2:O-2:O-2:	B[5]-4:H-1:	B[5]-4:H-1:	B[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OH)2	O(B[5]C[5,6a]O[5]O)(H)	O(B[5]C[5,6a]O[5]O)(H)	B[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OH)2{2|C<3>,3|H<1>}	O(B[5]C[5,6a]O[5]O)(H)	O(B[5]C[5,6a]O[5]O)(H)	106.8020	0.000	1	106.8020	0.000	1	106.8020	0.000	1	106.8020	0.000	1	113.6363	12.928	8	113.6363	12.928	8
786	893	893	0:SP3_SP3_SP3	B[5]	O	O	3:3:2:2:	4:4:	4:4:	C[5,6a]-3:N[5]-3:O-2:O-2:	B[5]-4:C[6]-4:	B[5]-4:B[5]-4:	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(OB[5])(OC[6])	O(B[5]C[5,6a]N[5]O)(C[6]C[6]2H)	O(B[5]C[5,6a]N[5]O)2	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(OB[5])(OC[6]){2|C<3>,2|C<4>,3|H<1>}	O(B[5]C[5,6a]N[5]O)(C[6]C[6]2H)	O(B[5]C[5,6a]N[5]O)2	116.4415	0.263	4	116.4415	0.069	4	116.4415	0.069	4	116.4415	0.069	4	113.6363	12.928	8	113.6363	12.928	8
786	893	893	0:SP3_SP3_SP3	B[5]	O	O	4:4:2:2:	4:4:	4:4:	C[5]-4:N[5]-4:O-2:O-2:	B[5]-4:C-4:	B[5]-4:C-4:	B[5](C[5]C[5]CH)(N[5]C[5]HH)(OC)2	O(B[5]C[5]N[5]O)(CH3)	O(B[5]C[5]N[5]O)(CH3)	B[5](C[5]C[5]CH)(N[5]C[5]HH)(OC)2{4|H<1>}	O(B[5]C[5]N[5]O)(CH3)	O(B[5]C[5]N[5]O)(CH3)	113.1230	0.535	2	113.1230	0.286	2	113.1230	0.286	2	113.1230	0.286	2	113.6363	12.928	8	113.6363	12.928	8
786	893	906	0:SP3_SP-NON_SP2	B[5]	O	Cl[5]	3:2:2:1:	4:3:	4:4:	C[5,6a]-3:Cl[5]-2:O-2:Cl-1:	B[5]-4:C-3:	B[5]-4:B[5]-4:	B[5](C[5,6a]C[5,6a]C[6a])(Cl[5]B[5])(OC)(Cl)	O(B[5]C[5,6a]Cl[5]Cl)(COP)	Cl[5](B[5]C[5,6a]Cl2)(B[5]C[5,6a]ClO)	B[5](C[5,6a]C[5,6a]C[6a])(Cl[5]B[5])(OC)(Cl){2|Cl<1>,1|H<1>,2|C<3>}	O(B[5]C[5,6a]Cl[5]Cl)(COP)	Cl[5](B[5]C[5,6a]Cl2)(B[5]C[5,6a]ClO){2|C<3>}	105.9310	0.000	1	105.9310	0.000	1	105.9310	0.000	1	105.9310	0.000	1	105.9310	0.000	1	105.9310	0.000	1
786	893	916	0:SP3_SP3_SP3	B[5]	O	O[5]	3:3:3:2:	4:4:	4:4:3:	C[5,6a]-3:O[5]-3:O[5]-3:O-2:	B[5]-4:C-4:	B[5]-4:B[5]-4:I[5]-3:	B[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5]I[5])2(OC)	O(B[5]C[5,6a]O[5]2)(CH3)	O[5](B[5]C[5,6a]O[5]O)2(I[5]C[5,6a]O)	B[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5]I[5])2(OC){1|F<1>,2|O<3>,4|O<2>,5|C<3>}	O(B[5]C[5,6a]O[5]2)(CH3)	O[5](B[5]C[5,6a]O[5]O)2(I[5]C[5,6a]O){2|B<4>,2|I<3>,4|C<3>}	108.0399	4.809	8	108.0399	23.124	8	108.0399	23.124	8	108.0399	23.124	8	108.0399	23.124	8	108.0399	23.124	8
786	893	951	0:SP3_SP-NON_SP2	B[5]	O	H	3:3:2:1:	4:3:	4:	N[5,6]-3:N[5]-3:O-2:H-1:	B[5]-4:C-3:	B[5]-4:	B[5](N[5,6]C[5,6]C[6])(N[5]C[6a]C[5])(OC)(H)	O(B[5]N[5,6]N[5]H)(CC[6a]O)	H(B[5]N[5,6]N[5]O)	B[5](N[5,6]C[5,6]C[6])(N[5]C[6a]C[5])(OC)(H){1|C<4>,2|H<1>,4|C<3>}	O(B[5]N[5,6]N[5]H)(CC[6a]O)	H(B[5]N[5,6]N[5]O)	105.3010	0.000	1	105.3010	0.000	1	105.3010	0.000	1	105.3010	0.000	1	105.3010	0.000	1	105.3010	0.000	1
786	893	976	0:SP3_SP2_SP2	B[5,5]	O	O[5]	4:2:2:2:	4:3:	4:3:	N[5,5]-4:O[5]-2:O[5]-2:O-2:	B[5,5]-4:C-3:	B[5,5]-4:C[5]-3:	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(OC)	O(B[5,5]N[5,5]O[5]2)(CCO)	O[5](B[5,5]N[5,5]O[5]O)(C[5]C[5]O)	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(OC){2|O<1>,4|H<1>}	O(B[5,5]N[5,5]O[5]2)(CCO)	O[5](B[5,5]N[5,5]O[5]O)(C[5]C[5]O){1|C<3>,2|C<4>,2|H<1>}	110.9970	4.746	4	110.9970	22.523	4	110.9970	22.523	4	110.9970	22.523	4	110.9970	22.523	4	110.9970	22.523	4
786	893	976	0:SP3_SP2_SP3	B[5,5]	O	O[5]	3:4:2:2:	4:1:	4:3:	C[5,6a]-3:N[3x5]-4:O[5]-2:O-2:	B[5,5]-4:H-1:	B[5,5]-4:C[5]-3:	B[5,5](C[5,6a]C[5,6a]C[6a])(N[3x5]C[5,5]2H)(O[5]C[5])(OH)	O(B[5,5]C[5,6a]N[3x5]O[5])(H)	O[5](B[5,5]C[5,6a]N[3x5]O)(C[5]C[5,5]O)	B[5,5](C[5,6a]C[5,6a]C[6a])(N[3x5]C[5,5]2H)(O[5]C[5])(OH){1|C<4>,1|O<1>,1|S<2>,2|C<3>,3|H<1>}	O(B[5,5]C[5,6a]N[3x5]O[5])(H)	O[5](B[5,5]C[5,6a]N[3x5]O)(C[5]C[5,5]O){2|C<3>,2|C<4>,2|H<1>}	106.5610	0.590	2	106.5610	0.348	2	106.5610	0.348	2	106.5610	0.348	2	106.5610	0.348	2	109.2481	7.927	19
786	893	976	0:SP3_SP2_SP3	B[5]	O	O[5]	2:2:2:2:	4:3:	4:4:	O[5]-2:O[5]-2:O-2:O-2:	B[5]-4:C-3:	B[5]-4:C[5]-4:	B[5](O[5]C[5])2(OC)2	O(B[5]O[5]2O)(CHO)	O[5](B[5]O[5]OO)(C[5]C[5]CC)	B[5](O[5]C[5])2(OC)2{4|C<4>}	O(B[5]O[5]2O)(CHO)	O[5](B[5]O[5]OO)(C[5]C[5]CC){2|C<4>}	111.2570	4.215	4	111.2570	17.770	4	111.2570	17.770	4	111.2570	17.770	4	109.5642	7.887	17	109.2481	7.927	19
786	893	976	0:SP3_SP2_SP3	B[5]	O	O[5]	2:2:2:2:	4:4:	4:3:	O[5]-2:O[5]-2:O-2:O-2:	B[5]-4:P-4:	B[5]-4:C[5]-3:	B[5](O[5]C[5])2(OP)2	O(B[5]O[5]2O)(PC[6a]2O)	O[5](B[5]O[5]OO)(C[5]C[5]O)	B[5](O[5]C[5])2(OP)2{2|O<1>}	O(B[5]O[5]2O)(PC[6a]2O)	O[5](B[5]O[5]OO)(C[5]C[5]O){1|O<1>}	110.4357	1.717	4	110.4357	2.949	4	110.4357	2.949	4	110.4357	2.949	4	109.5642	7.887	17	109.2481	7.927	19
786	893	976	0:SP3_SP2_SP3	B[5]	O	O[5]	2:2:4:2:	4:1:	4:3:	O[5]-2:O[5]-2:C-4:O-2:	B[5]-4:H-1:	B[5]-4:C[5]-3:	B[5](O[5]C[5])2(CH3)(OH)	O(B[5]O[5]2C)(H)	O[5](B[5]O[5]CO)(C[5]C[5]C)	B[5](O[5]C[5])2(CH3)(OH){1|C<3>,1|O<1>}	O(B[5]O[5]2C)(H)	O[5](B[5]O[5]CO)(C[5]C[5]C){1|O<1>}	107.2040	0.000	1	107.2040	0.000	1	107.6485	0.395	2	107.6485	0.395	2	109.5642	7.887	17	109.2481	7.927	19
786	893	976	0:SP3_SP2_SP3	B[5]	O	O[5]	2:2:4:2:	4:1:	4:3:	O[5]-2:O[5]-2:C-4:O-2:	B[5]-4:H-1:	B[5]-4:C[5]-3:	B[5](O[5]C[5])2(CH3)(OH)	O(B[5]O[5]2C)(H)	O[5](B[5]O[5]CO)(C[5]C[5]O)	B[5](O[5]C[5])2(CH3)(OH){1|C<3>,1|O<1>}	O(B[5]O[5]2C)(H)	O[5](B[5]O[5]CO)(C[5]C[5]O){1|C<3>}	108.0930	0.000	1	108.0930	0.000	1	107.6485	0.395	2	107.6485	0.395	2	109.5642	7.887	17	109.2481	7.927	19
786	893	976	0:SP3_SP2_SP3	B[5]	O	O[5]	3:2:2:2:	4:3:	4:4:	C[4]-3:O[5]-2:O[5]-2:O-2:	B[5]-4:B[5]-3:	B[5]-4:C[5]-4:	B[5](C[4]C[4]2)(O[5]C[5])2(OB[5])	O(B[5]C[4]O[5]2)(B[5]O[5]2)	O[5](B[5]C[4]O[5]O)(C[5]C[5]CC)	B[5](C[4]C[4]2)(O[5]C[5])2(OB[5]){2|N<3>,5|C<4>}	O(B[5]C[4]O[5]2)(B[5]O[5]2)	O[5](B[5]C[4]O[5]O)(C[5]C[5]CC){2|C<3>,2|C<4>}	109.6465	4.881	2	109.6465	23.826	2	109.6465	23.826	2	108.9730	6.283	6	109.5642	7.887	17	109.2481	7.927	19
786	893	976	0:SP3_SP2_SP3	B[5]	O	O[5]	3:2:2:2:	4:3:	4:4:	O[5]-3:O[5]-2:O-2:O-2:	B[5]-4:C-3:	B[5]-4:C[5]-4:	B[5](O[5]C[5]Co)(O[5]C[5])(OC)2	O(B[5]O[5]2O)(CCO)	O[5](B[5]O[5]OO)(C[5]C[5]CC)	B[5](O[5]C[5]Co)(O[5]C[5])(OC)2{4|C<4>}	O(B[5]O[5]2O)(CCO)	O[5](B[5]O[5]OO)(C[5]C[5]CC){1|Co<6>,2|C<4>}	109.1310	1.192	2	109.1310	1.421	2	108.6363	2.076	4	108.9730	6.283	6	109.5642	7.887	17	109.2481	7.927	19
786	893	976	0:SP3_SP2_SP3	B[5]	O	O[5]	3:2:2:2:	4:3:	4:4:	O[5]-3:O[5]-2:O-2:O-2:	B[5]-4:C-3:	B[5]-4:C[5]-4:	B[5](O[5]C[5]Cu)(O[5]C[5])(OC)2	O(B[5]O[5]2O)(CSiO)	O[5](B[5]O[5]OO)(C[5]C[5]CC)	B[5](O[5]C[5]Cu)(O[5]C[5])(OC)2{4|C<4>}	O(B[5]O[5]2O)(CSiO)	O[5](B[5]O[5]OO)(C[5]C[5]CC){1|Cu<4>,2|C<4>}	108.1415	1.957	2	108.1415	3.828	2	108.6363	2.076	4	108.9730	6.283	6	109.5642	7.887	17	109.2481	7.927	19
786	893	976	0:SP3_SP2_SP3	B[5]	O	O[5]	3:2:3:2:	4:1:	4:3:	C[5,6a]-3:O[5]-2:O-3:O-2:	B[5]-4:H-1:	B[5]-4:B[5]-3:	B[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(OHH)(OH)	O(B[5]C[5,6a]O[5]O)(H)	O[5](B[5]C[5,6a]OO)(B[5]C[5,6a]O)	B[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(OHH)(OH){1|F<1>,1|O<2>,2|C<3>}	O(B[5]C[5,6a]O[5]O)(H)	O[5](B[5]C[5,6a]OO)(B[5]C[5,6a]O){2|C<3>}	106.6850	0.000	1	106.6850	0.000	1	106.6850	0.000	1	106.6850	0.000	1	109.5642	7.887	17	109.2481	7.927	19
786	893	976	0:SP3_SP3_SP3	B[5,5]	O	O[5]	3:4:2:2:	4:1:	4:4:	C[5,6a]-3:N[3x5]-4:O[5]-2:O-2:	B[5,5]-4:H-1:	B[5,5]-4:C[5]-4:	B[5,5](C[5,6a]C[5,6a]C[6a])(N[3x5]C[5,5]2H)(O[5]C[5])(OH)	O(B[5,5]C[5,6a]N[3x5]O[5])(H)	O[5](B[5,5]C[5,6a]N[3x5]O)(C[5]C[5,5]HH)	B[5,5](C[5,6a]C[5,6a]C[6a])(N[3x5]C[5,5]2H)(O[5]C[5])(OH){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	O(B[5,5]C[5,6a]N[3x5]O[5])(H)	O[5](B[5,5]C[5,6a]N[3x5]O)(C[5]C[5,5]HH){1|H<1>,2|C<3>,3|C<4>}	111.2670	0.000	1	109.7035	4.889	2	109.7035	4.889	2	109.7035	4.889	2	109.7035	4.889	2	110.5927	1.752	8
786	893	976	0:SP3_SP3_SP3	B[5,5]	O	O[5]	3:4:2:2:	4:1:	4:4:	C[5,6a]-3:N[3x5]-4:O[5]-2:O-2:	B[5,5]-4:H-1:	B[5,5]-4:C[5]-4:	B[5,5](C[5,6a]C[5,6a]C[6a])(N[3x5]C[5,5]2H)(O[5]C[5])(OH)	O(B[5,5]C[5,6a]N[3x5]O[5])(H)	O[5](B[5,5]C[5,6a]N[3x5]O)(C[5]C[5,5]HH)	B[5,5](C[5,6a]C[5,6a]C[6a])(N[3x5]C[5,5]2H)(O[5]C[5])(OH){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	O(B[5,5]C[5,6a]N[3x5]O[5])(H)	O[5](B[5,5]C[5,6a]N[3x5]O)(C[5]C[5,5]HH){1|H<1>,2|C<3>,3|C<4>}	108.1400	0.000	1	109.7035	4.889	2	109.7035	4.889	2	109.7035	4.889	2	109.7035	4.889	2	110.5927	1.752	8
786	893	976	0:SP3_SP3_SP3	B[5]	O	O[5]	3:2:2:2:	4:1:	4:4:	C[5,6a]-3:O[5]-2:O-2:O-2:	B[5]-4:H-1:	B[5]-4:C[5]-4:	B[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OH)2	O(B[5]C[5,6a]O[5]O)(H)	O[5](B[5]C[5,6a]OO)(C[5]C[5,6a]HH)	B[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OH)2{2|C<3>,3|H<1>}	O(B[5]C[5,6a]O[5]O)(H)	O[5](B[5]C[5,6a]OO)(C[5]C[5,6a]HH){2|C<3>}	109.8285	0.682	2	109.8285	0.466	2	109.8285	0.466	2	109.8285	0.466	2	110.8892	1.053	6	110.5927	1.752	8
786	893	976	0:SP3_SP3_SP3	B[5]	O	O[5]	3:2:2:2:	4:4:	4:4:	C[5]-3:O[5]-2:O[5]-2:O-2:	B[5]-4:C-4:	B[5]-4:C[5]-4:	B[5](C[5]N[5]2)(O[5]C[5])2(OC)	O(B[5]C[5]O[5]2)(CCHH)	O[5](B[5]C[5]O[5]O)(C[5]C[5]HH)	B[5](C[5]N[5]2)(O[5]C[5])2(OC){2|C<3>,2|C<4>,4|H<1>}	O(B[5]C[5]O[5]2)(CCHH)	O[5](B[5]C[5]O[5]O)(C[5]C[5]HH){2|H<1>,2|N<3>}	111.4195	0.689	4	111.4195	0.475	4	111.4195	0.475	4	111.4195	0.475	4	110.8892	1.053	6	110.5927	1.752	8
786	893	999	0:SP3_SP2_SP3	B[5,5]	O	N[5,5]	4:2:2:2:	4:3:	4:4:4:4:	N[5,5]-4:O[5]-2:O[5]-2:O-2:	B[5,5]-4:C-3:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(OC)	O(B[5,5]N[5,5]O[5]2)(CCO)	N[5,5](B[5,5]O[5]2O)(C[5]C[5]HH)2(CH3)	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(OC){2|O<1>,4|H<1>}	O(B[5,5]N[5,5]O[5]2)(CCO)	N[5,5](B[5,5]O[5]2O)(C[5]C[5]HH)2(CH3){2|O<1>}	115.6270	0.071	2	115.6270	0.005	2	115.6270	0.005	2	115.6270	0.005	2	115.6270	0.005	2	109.9777	45.297	6
786	893	999	0:SP3_SP2_SP3	B[5]	O	N[5,5]	3:4:2:2:	4:3:	4:4:4:1:	C[5,6a]-3:N[5,5]-4:O-2:O-2:	B[5]-4:C[6a]-3:	C[5,5]-4:B[5]-4:C[5]-4:H-1:	B[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5]H)(OC[6a])2	O(B[5]C[5,6a]N[5,5]O)(C[6a]C[6a]2)	N[5,5](C[5,5]C[5,6a]O[5]H)(B[5]C[5,6a]OO)(C[5]C[5]CH)(H)	B[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5]H)(OC[6a])2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O(B[5]C[5,6a]N[5,5]O)(C[6a]C[6a]2)	N[5,5](C[5,5]C[5,6a]O[5]H)(B[5]C[5,6a]OO)(C[5]C[5]CH)(H){2|C<3>,2|H<1>}	107.1530	6.601	4	107.1530	43.579	4	107.1530	43.579	4	107.1530	43.579	4	107.1530	43.579	4	109.9777	45.297	6
786	893	999	0:SP3_SP3_SP3	B[5,5]	O	N[3x5]	3:4:2:2:	4:1:	4:4:4:1:	C[5,6a]-3:N[3x5]-4:O[5]-2:O-2:	B[5,5]-4:H-1:	B[5,5]-4:C[5,5]-4:C[5,5]-4:H-1:	B[5,5](C[5,6a]C[5,6a]C[6a])(N[3x5]C[5,5]2H)(O[5]C[5])(OH)	O(B[5,5]C[5,6a]N[3x5]O[5])(H)	N[3x5](B[5,5]C[5,6a]O[5]O)(C[5,5]C[5,6a]O[5]C)(C[5,5]C[5]2C)(H)	B[5,5](C[5,6a]C[5,6a]C[6a])(N[3x5]C[5,5]2H)(O[5]C[5])(OH){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	O(B[5,5]C[5,6a]N[3x5]O[5])(H)	N[3x5](B[5,5]C[5,6a]O[5]O)(C[5,5]C[5,6a]O[5]C)(C[5,5]C[5]2C)(H){2|C<3>,4|H<1>}	111.8290	0.000	1	111.8290	0.000	1	112.0117	1.322	4	112.0117	1.322	4	112.0117	1.322	4	109.1130	14.016	8
786	893	999	0:SP3_SP3_SP3	B[5,5]	O	N[3x5]	3:4:2:2:	4:1:	4:4:4:1:	C[5,6a]-3:N[3x5]-4:O[5]-2:O-2:	B[5,5]-4:H-1:	B[5,5]-4:C[5,5]-4:C[5,5]-4:H-1:	B[5,5](C[5,6a]C[5,6a]C[6a])(N[3x5]C[5,5]2H)(O[5]C[5])(OH)	O(B[5,5]C[5,6a]N[3x5]O[5])(H)	N[3x5](B[5,5]C[5,6a]O[5]O)(C[5,5]C[5,6a]O[5]H)(C[5,5]C[5]2C)(H)	B[5,5](C[5,6a]C[5,6a]C[6a])(N[3x5]C[5,5]2H)(O[5]C[5])(OH){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	O(B[5,5]C[5,6a]N[3x5]O[5])(H)	N[3x5](B[5,5]C[5,6a]O[5]O)(C[5,5]C[5,6a]O[5]H)(C[5,5]C[5]2C)(H){2|C<3>,4|H<1>}	110.4630	0.000	1	110.4630	0.000	1	112.0117	1.322	4	112.0117	1.322	4	112.0117	1.322	4	109.1130	14.016	8
786	893	999	0:SP3_SP3_SP3	B[5,5]	O	N[3x5]	3:4:2:2:	4:1:	4:4:4:1:	C[5,6a]-3:N[3x5]-4:O[5]-2:O-2:	B[5,5]-4:H-1:	B[5,5]-4:C[5,5]-4:C[5,5]-4:H-1:	B[5,5](C[5,6a]C[5,6a]C[6a])(N[3x5]C[5,5]2H)(O[5]C[5])(OH)	O(B[5,5]C[5,6a]N[3x5]O[5])(H)	N[3x5](B[5,5]C[5,6a]O[5]O)(C[5,5]C[5,6a]S[5]H)(C[5,5]C[5]2H)(H)	B[5,5](C[5,6a]C[5,6a]C[6a])(N[3x5]C[5,5]2H)(O[5]C[5])(OH){1|C<4>,1|O<1>,1|S<2>,2|C<3>,3|H<1>}	O(B[5,5]C[5,6a]N[3x5]O[5])(H)	N[3x5](B[5,5]C[5,6a]O[5]O)(C[5,5]C[5,6a]S[5]H)(C[5,5]C[5]2H)(H){1|O<1>,2|C<3>,2|H<1>}	112.8775	0.189	2	112.8775	0.036	2	112.0117	1.322	4	112.0117	1.322	4	112.0117	1.322	4	109.1130	14.016	8
786	893	999	0:SP3_SP3_SP3	B[5]	O	N[5]	4:4:2:2:	4:4:	4:4:1:1:	C[5]-4:N[5]-4:O-2:O-2:	B[5]-4:C-4:	B[5]-4:C[5]-4:H-1:H-1:	B[5](C[5]C[5]CH)(N[5]C[5]HH)(OC)2	O(B[5]C[5]N[5]O)(CH3)	N[5](B[5]C[5]OO)(C[5]C[5]HH)(H)2	B[5](C[5]C[5]CH)(N[5]C[5]HH)(OC)2{4|H<1>}	O(B[5]C[5]N[5]O)(CH3)	N[5](B[5]C[5]OO)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	106.2143	2.996	4	106.2143	8.975	4	106.2143	8.975	4	106.2143	8.975	4	106.2143	8.975	4	109.1130	14.016	8
786	909	951	0:SP3_SP-NON_SP3	B[5]	S	H	3:2:2:1:	4:3:	4:	S[5]-3:S[5]-2:S-2:H-1:	B[5]-4:S-3:	B[5]-4:	B[5](S[5]B[5]Ir)(S[5]S[5])(SS)(H)	S(B[5]S[5]2H)(SIr2)	H(B[5]S[5]2S)	B[5](S[5]B[5]Ir)(S[5]S[5])(SS)(H){1|Ir<8>,1|H<1>,1|S<2>}	S(B[5]S[5]2H)(SIr2)	H(B[5]S[5]2S)	111.2250	0.000	1	111.2250	0.000	1	111.2250	0.000	1	111.2250	0.000	1	111.8907	6.404	4	111.8907	6.404	4
786	909	951	0:SP3_SP-NON_SP3	B[5]	S	H	3:3:2:1:	4:3:	4:	S[5]-3:S[5]-3:S-2:H-1:	B[5]-4:S-3:	B[5]-4:	B[5](S[5]B[5]Ir)(S[5]S[5]Ir)(SS)(H)	S(B[5]S[5]2H)(SIr2)	H(B[5]S[5]2S)	B[5](S[5]B[5]Ir)(S[5]S[5]Ir)(SS)(H){1|H<1>,1|S<2>}	S(B[5]S[5]2H)(SIr2)	H(B[5]S[5]2S)	115.6360	0.000	1	112.9950	13.950	2	112.1127	9.310	3	112.1127	9.310	3	111.8907	6.404	4	111.8907	6.404	4
786	909	951	0:SP3_SP-NON_SP3	B[5]	S	H	3:3:2:1:	4:3:	4:	S[5]-3:S[5]-3:S-2:H-1:	B[5]-4:S-3:	B[5]-4:	B[5](S[5]B[5]Ir)(S[5]S[5]Ir)(SS)(H)	S(B[5]S[5]2H)(SIr2)	H(B[5]S[5]2S)	B[5](S[5]B[5]Ir)(S[5]S[5]Ir)(SS)(H){1|H<1>,1|S<3>}	S(B[5]S[5]2H)(SIr2)	H(B[5]S[5]2S)	110.3540	0.000	1	112.9950	13.950	2	112.1127	9.310	3	112.1127	9.310	3	111.8907	6.404	4	111.8907	6.404	4
786	909	951	0:SP3_SP-NON_SP3	B[5]	S	H	3:3:2:1:	4:3:	4:	S[5]-3:S[5]-3:S-2:H-1:	B[5]-4:S-3:	B[5]-4:	B[5](S[5]B[5]Rh)(S[5]S[5]Rh)(SS)(H)	S(B[5]S[5]2H)(SRh2)	H(B[5]S[5]2S)	B[5](S[5]B[5]Rh)(S[5]S[5]Rh)(SS)(H){1|H<1>,1|S<3>}	S(B[5]S[5]2H)(SRh2)	H(B[5]S[5]2S)	110.3480	0.000	1	110.3480	0.000	1	112.1127	9.310	3	112.1127	9.310	3	111.8907	6.404	4	111.8907	6.404	4
786	916	916	0:SP3_SP3_SP3	B[5,6,6]	O[5,6]	O[5,6]	3:3:3:3:	4:4:3:	4:3:4:	O[5,6]-3:O[5,6]-3:O[5,6,6]-3:C[5]-3:	B[5,6,6]-4:B[5,6]-4:B[5]-3:	B[5,6,6]-4:B[5,6]-3:B[5]-4:	B[5,6,6](O[5,6]B[5,6]B[5])2(O[5,6,6]B[5,6]2)(C[5]C[6a]C[5])	O[5,6](B[5,6,6]O[5,6,6]O[5,6]C[5])(B[5,6]O[5,6]C[5]Cl)(B[5]C[5]Cl)	O[5,6](B[5,6,6]O[5,6,6]O[5,6]C[5])(B[5,6]C[5]O[6])(B[5]C[5]Cl2)	B[5,6,6](O[5,6]B[5,6]B[5])2(O[5,6,6]B[5,6]2)(C[5]C[6a]C[5]){5|Cl<1>,1|O<2>,1|O<3>,8|C<3>}	O[5,6](B[5,6,6]O[5,6,6]O[5,6]C[5])(B[5,6]O[5,6]C[5]Cl)(B[5]C[5]Cl){2|B<4>,3|B<3>,4|C<3>}	O[5,6](B[5,6,6]O[5,6,6]O[5,6]C[5])(B[5,6]C[5]O[6])(B[5]C[5]Cl2){2|B<3>,2|B<4>,4|C<3>}	108.9660	0.000	1	108.9660	0.000	1	108.9660	0.000	1	108.9660	0.000	1	108.9660	0.000	1	110.3036	0.787	5
786	916	916	0:SP3_SP3_SP3	B[5]	O[5]	O[5]	3:3:3:2:	4:4:3:	4:4:3:	C[5,6a]-3:O[5]-3:O[5]-3:O-2:	B[5]-4:B[5]-4:I[5]-3:	B[5]-4:B[5]-4:I[5]-3:	B[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5]I[5])2(OC)	O[5](B[5]C[5,6a]O[5]O)2(I[5]C[5,6a]O)	O[5](B[5]C[5,6a]O[5]O)2(I[5]C[5,6a]O)	B[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5]I[5])2(OC){1|F<1>,2|O<3>,4|O<2>,5|C<3>}	O[5](B[5]C[5,6a]O[5]O)2(I[5]C[5,6a]O){2|B<4>,2|I<3>,4|C<3>}	O[5](B[5]C[5,6a]O[5]O)2(I[5]C[5,6a]O){2|B<4>,2|I<3>,4|C<3>}	110.6380	0.551	4	110.6380	0.303	4	110.6380	0.303	4	110.6380	0.303	4	110.6380	0.303	4	110.3036	0.787	5
786	916	916	6:SP3_SP3_SP3	B[5,6,6]	O[5,6,6]	O[5,6]	3:3:3:3:	4:4:3:	4:3:4:	O[5,6]-3:O[5,6]-3:O[5,6,6]-3:C[5]-3:	B[5,6,6]-4:B[5,6]-4:B[5,6]-3:	B[5,6,6]-4:B[5,6]-3:B[5]-4:	B[5,6,6](O[5,6]B[5,6]B[5])2(O[5,6,6]B[5,6]2)(C[5]C[6a]C[5])	O[5,6,6](B[5,6,6]O[5,6]2C[5])(B[5,6]O[5,6]C[5]Cl)(B[5,6]C[5]O[6])	O[5,6](B[5,6,6]O[5,6,6]O[5,6]C[5])(B[5,6]C[5]O[6])(B[5]C[5]Cl2)	B[5,6,6](O[5,6]B[5,6]B[5])2(O[5,6,6]B[5,6]2)(C[5]C[6a]C[5]){5|Cl<1>,1|O<2>,1|O<3>,8|C<3>}	O[5,6,6](B[5,6,6]O[5,6]2C[5])(B[5,6]O[5,6]C[5]Cl)(B[5,6]C[5]O[6]){2|B<4>,3|B<3>,4|C<3>}	O[5,6](B[5,6,6]O[5,6,6]O[5,6]C[5])(B[5,6]C[5]O[6])(B[5]C[5]Cl2){2|B<3>,2|B<4>,4|C<3>}	107.3770	0.000	1	107.3770	0.000	1	107.3770	0.000	1	107.3770	0.000	1	107.3770	0.000	1	103.7895	6.577	4
786	916	916	6:SP3_SP3_SP3	B[5,6,6]	O[5,6]	O[5,6,6]	3:3:3:3:	4:4:3:	4:4:3:	O[5,6]-3:O[5,6]-3:O[5,6,6]-3:C[5]-3:	B[5,6,6]-4:B[5,6]-4:B[5]-3:	B[5,6,6]-4:B[5,6]-4:B[5,6]-3:	B[5,6,6](O[5,6]B[5,6]B[5])2(O[5,6,6]B[5,6]2)(C[5]C[6a]C[5])	O[5,6](B[5,6,6]O[5,6,6]O[5,6]C[5])(B[5,6]O[5,6]C[5]Cl)(B[5]C[5]Cl)	O[5,6,6](B[5,6,6]O[5,6]2C[5])(B[5,6]O[5,6]C[5]Cl)(B[5,6]C[5]O[6])	B[5,6,6](O[5,6]B[5,6]B[5])2(O[5,6,6]B[5,6]2)(C[5]C[6a]C[5]){5|Cl<1>,1|O<2>,1|O<3>,8|C<3>}	O[5,6](B[5,6,6]O[5,6,6]O[5,6]C[5])(B[5,6]O[5,6]C[5]Cl)(B[5]C[5]Cl){2|B<4>,3|B<3>,4|C<3>}	O[5,6,6](B[5,6,6]O[5,6]2C[5])(B[5,6]O[5,6]C[5]Cl)(B[5,6]C[5]O[6]){2|B<4>,3|B<3>,4|C<3>}	103.7950	0.000	1	103.7950	0.000	1	103.7950	0.000	1	103.7950	0.000	1	103.7950	0.000	1	103.7895	6.577	4
786	916	916	6:SP3_SP3_SP3	B[5,6]	O[5,6,6]	O[5,6]	3:3:3:1:	4:4:3:	4:4:3:	O[5,6,6]-3:O[5,6]-3:C[5]-3:Cl-1:	B[5,6,6]-4:B[5,6]-4:B[5,6]-3:	B[5,6]-4:B[5,6]-4:B[5]-3:	B[5,6](O[5,6,6]B[5,6,6]B[5,6])(O[5,6]B[5,6]B[5])(C[5]C[6a]C[5])(Cl)	O[5,6,6](B[5,6,6]O[5,6]2C[5])(B[5,6]O[5,6]C[5]Cl)(B[5,6]C[5]O[6])	O[5,6](B[5,6]O[5,6,6]C[5]Cl)(B[5,6]O[5,6]C[5]Cl)(B[5]C[5]Cl)	B[5,6](O[5,6,6]B[5,6,6]B[5,6])(O[5,6]B[5,6]B[5])(C[5]C[6a]C[5])(Cl){2|Cl<1>,1|O<2>,2|O<3>,6|C<3>}	O[5,6,6](B[5,6,6]O[5,6]2C[5])(B[5,6]O[5,6]C[5]Cl)(B[5,6]C[5]O[6]){2|B<4>,3|B<3>,4|C<3>}	O[5,6](B[5,6]O[5,6,6]C[5]Cl)(B[5,6]O[5,6]C[5]Cl)(B[5]C[5]Cl){1|B<4>,2|B<3>,4|C<3>}	101.5420	0.000	1	101.5420	0.000	1	101.5420	0.000	1	101.5420	0.000	1	101.5420	0.000	1	103.7895	6.577	4
786	916	916	6:SP3_SP3_SP3	B[5,6]	O[5,6]	O[5,6]	3:3:3:1:	4:4:3:	4:4:3:	O[5,6]-3:O[5,6]-3:C[5]-3:Cl-1:	B[5,6,6]-4:B[5,6]-4:B[5]-3:	B[5,6]-4:B[5,6]-4:B[5]-3:	B[5,6](O[5,6]B[5,6,6]B[5])(O[5,6]B[5,6]B[5])(C[5]C[6a]C[5])(Cl)	O[5,6](B[5,6,6]O[5,6,6]O[5,6]C[5])(B[5,6]O[5,6]C[5]Cl)(B[5]C[5]Cl)	O[5,6](B[5,6]O[5,6,6]C[5]Cl)(B[5,6]O[5,6]C[5]Cl)(B[5]C[5]Cl)	B[5,6](O[5,6]B[5,6,6]B[5])(O[5,6]B[5,6]B[5])(C[5]C[6a]C[5])(Cl){3|Cl<1>,2|O<3>,6|C<3>}	O[5,6](B[5,6,6]O[5,6,6]O[5,6]C[5])(B[5,6]O[5,6]C[5]Cl)(B[5]C[5]Cl){2|B<4>,3|B<3>,4|C<3>}	O[5,6](B[5,6]O[5,6,6]C[5]Cl)(B[5,6]O[5,6]C[5]Cl)(B[5]C[5]Cl){1|B<4>,2|B<3>,4|C<3>}	102.4440	0.000	1	102.4440	0.000	1	102.4440	0.000	1	102.4440	0.000	1	102.4440	0.000	1	103.7895	6.577	4
786	916	976	5:SP3_SP2_SP3	B[5,6,6]	O[5,6,6]	O[5]	3:3:3:2:	3:4:4:	4:3:	O[5,6,6]-3:N[6,6]-3:N[6,6]-3:O[5]-2:	C[5,6a]-3:B[5,6,6]-4:B[6,6]-4:	B[5,6,6]-4:C[5,6a]-3:	B[5,6,6](O[5,6,6]C[5,6a]B[6,6])(N[6,6]C[3x6]C[6])2(O[5]C[5,6a])	O[5,6,6](C[5,6a]C[6a,6a]C[5,6a])(B[5,6,6]N[6,6]2O[5])(B[6,6]N[6,6]2O)	O[5](B[5,6,6]O[5,6,6]N[6,6]2)(C[5,6a]C[6a,6a]C[5,6a])	B[5,6,6](O[5,6,6]C[5,6a]B[6,6])(N[6,6]C[3x6]C[6])2(O[5]C[5,6a]){1|O<2>,2|C<3>,2|C<4>,4|H<1>,4|N<3>}	O[5,6,6](C[5,6a]C[6a,6a]C[5,6a])(B[5,6,6]N[6,6]2O[5])(B[6,6]N[6,6]2O){4|C<4>,5|C<3>}	O[5](B[5,6,6]O[5,6,6]N[6,6]2)(C[5,6a]C[6a,6a]C[5,6a]){1|B<4>,2|C<4>,5|C<3>}	103.0570	0.000	1	103.0570	0.000	1	103.0570	0.000	1	103.0570	0.000	1	103.0570	0.000	1	103.0570	0.000	1
786	924	924	0:SP3_SP-NON_SP-NON	B[5]	Br	Br	3:2:1:1:	4:	4:	S[5]-3:S[5]-2:Br-1:Br-1:	B[5]-4:	B[5]-4:	B[5](S[5]C[5,6a]C)(S[5]C[5,6a])(Br)2	Br(B[5]S[5]2Br)	Br(B[5]S[5]2Br)	B[5](S[5]C[5,6a]C)(S[5]C[5,6a])(Br)2{2|C<3>}	Br(B[5]S[5]2Br)	Br(B[5]S[5]2Br)	111.0190	0.000	1	111.0190	0.000	1	111.0190	0.000	1	111.0190	0.000	1	110.4030	4.945	7	110.4030	4.945	7
786	924	924	0:SP3_SP-NON_SP-NON	B[5]	Br	Br	3:3:1:1:	4:	4:	C[5,5a]-3:N[5,6]-3:Br-1:Br-1:	B[5]-4:	B[5]-4:	B[5](C[5,5a]C[5,5a]C[5a])(N[5,6]C[5,6]C[6])(Br)2	Br(B[5]C[5,5a]N[5,6]Br)	Br(B[5]C[5,5a]N[5,6]Br)	B[5](C[5,5a]C[5,5a]C[5a])(N[5,6]C[5,6]C[6])(Br)2{1|H<1>,1|S<2>,4|C<3>}	Br(B[5]C[5,5a]N[5,6]Br)	Br(B[5]C[5,5a]N[5,6]Br)	109.6000	0.000	1	109.6000	0.000	1	109.6000	0.000	1	109.6000	0.000	1	110.4030	4.945	7	110.4030	4.945	7
786	924	924	0:SP3_SP-NON_SP-NON	B[5]	Br	Br	3:4:1:1:	4:	4:	C[5,5]-3:C[5]-4:Br-1:Br-1:	B[5]-4:	B[5]-4:	B[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(Br)2	Br(B[5]C[5,5]C[5]Br)	Br(B[5]C[5,5]C[5]Br)	B[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(Br)2{2|C<3>,3|C<4>}	Br(B[5]C[5,5]C[5]Br)	Br(B[5]C[5,5]C[5]Br)	108.7267	0.221	3	108.7267	0.049	3	108.7267	0.049	3	108.7267	0.049	3	110.4030	4.945	7	110.4030	4.945	7
786	924	924	0:SP3_SP-NON_SP-NON	B[5]	Br	Br	4:4:1:1:	4:	4:	C[5]-4:C[5]-4:Br-1:Br-1:	B[5]-4:	B[5]-4:	B[5](C[5]C[5]HH)(C[5]N[5]HN)(Br)2	Br(B[5]C[5]2Br)	Br(B[5]C[5]2Br)	B[5](C[5]C[5]HH)(C[5]N[5]HN)(Br)2{1|H<1>,2|C<4>}	Br(B[5]C[5]2Br)	Br(B[5]C[5]2Br)	111.2060	0.000	1	111.2060	0.000	1	111.2060	0.000	1	113.0110	6.516	2	110.4030	4.945	7	110.4030	4.945	7
786	924	924	0:SP3_SP-NON_SP-NON	B[5]	Br	Br	4:4:1:1:	4:	4:	P[5]-4:P[5]-4:Br-1:Br-1:	B[5]-4:	B[5]-4:	B[5](P[5]C[5,6a]CC)2(Br)2	Br(B[5]P[5]2Br)	Br(B[5]P[5]2Br)	B[5](P[5]C[5,6a]CC)2(Br)2{2|C<3>}	Br(B[5]P[5]2Br)	Br(B[5]P[5]2Br)	114.8160	0.000	1	114.8160	0.000	1	114.8160	0.000	1	113.0110	6.516	2	110.4030	4.945	7	110.4030	4.945	7
786	924	951	0:SP3_SP-NON_SP-NON	B[5]	Br	H	4:4:1:1:	4:	4:	P[5]-4:N[5]-4:Br-1:H-1:	B[5]-4:	B[5]-4:	B[5](P[5]C[5,6a]C[6a]2)(N[5]C[5,6a]CC)(Br)(H)	Br(B[5]N[5]P[5]H)	H(B[5]N[5]P[5]Br)	B[5](P[5]C[5,6a]C[6a]2)(N[5]C[5,6a]CC)(Br)(H){6|C<3>}	Br(B[5]N[5]P[5]H)	H(B[5]N[5]P[5]Br)	108.6910	0.000	1	108.6910	0.000	1	108.6910	0.000	1	106.7177	2.995	3	106.7177	2.995	3	106.7177	2.995	3
786	924	951	0:SP3_SP-NON_SP-NON	B[5]	Br	H	4:4:1:1:	4:	4:	P[5]-4:P[5]-4:Br-1:H-1:	B[5]-4:	B[5]-4:	B[5](P[5]C[5]C[6]2)2(Br)(H)	Br(B[5]P[5]2H)	H(B[5]P[5]2Br)	B[5](P[5]C[5]C[6]2)2(Br)(H){8|C<4>,8|H<1>}	Br(B[5]P[5]2H)	H(B[5]P[5]2Br)	105.7310	0.386	2	105.7310	0.149	2	105.7310	0.149	2	106.7177	2.995	3	106.7177	2.995	3	106.7177	2.995	3
786	924	955	0:SP3_SP-NON_SP3	B[5]	Br	P[5]	4:4:1:1:	4:	3:4:3:3:	P[5]-4:N[5]-4:Br-1:H-1:	B[5]-4:	C[5,6a]-3:B[5]-4:C[6a]-3:C[6a]-3:	B[5](P[5]C[5,6a]C[6a]2)(N[5]C[5,6a]CC)(Br)(H)	Br(B[5]N[5]P[5]H)	P[5](C[5,6a]C[5,6a]C[6a])(B[5]N[5]BrH)(C[6a]C[6a]2)2	B[5](P[5]C[5,6a]C[6a]2)(N[5]C[5,6a]CC)(Br)(H){6|C<3>}	Br(B[5]N[5]P[5]H)	P[5](C[5,6a]C[5,6a]C[6a])(B[5]N[5]BrH)(C[6a]C[6a]2)2{2|C<4>,5|H<1>,6|C<3>}	116.5940	0.000	1	116.5940	0.000	1	116.5940	0.000	1	116.5940	0.000	1	115.8289	25.391	7	115.8289	25.391	7
786	924	955	0:SP3_SP-NON_SP3	B[5]	Br	P[5]	4:4:1:1:	4:	3:4:4:4:	P[5]-4:P[5]-4:Br-1:Br-1:	B[5]-4:	C[5,6a]-3:B[5]-4:C-4:C-4:	B[5](P[5]C[5,6a]CC)2(Br)2	Br(B[5]P[5]2Br)	P[5](C[5,6a]C[5,6a]C[6a])(B[5]P[5]Br2)(CH3)2	B[5](P[5]C[5,6a]CC)2(Br)2{2|C<3>}	Br(B[5]P[5]2Br)	P[5](C[5,6a]C[5,6a]C[6a])(B[5]P[5]Br2)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	109.9955	2.412	2	109.9955	5.817	2	109.9955	5.817	2	109.9955	5.817	2	115.8289	25.391	7	115.8289	25.391	7
786	924	955	0:SP3_SP-NON_SP3	B[5]	Br	P[5]	4:4:1:1:	4:	4:4:4:4:	P[5]-4:P[5]-4:Br-1:H-1:	B[5]-4:	B[5]-4:C[5]-4:C[6]-4:C[6]-4:	B[5](P[5]C[5]C[6]2)2(Br)(H)	Br(B[5]P[5]2H)	P[5](B[5]P[5]BrH)(C[5]C[5]HH)(C[6]C[6]2H)2	B[5](P[5]C[5]C[6]2)2(Br)(H){8|C<4>,8|H<1>}	Br(B[5]P[5]2H)	P[5](B[5]P[5]BrH)(C[5]C[5]HH)(C[6]C[6]2H)2{10|H<1>,6|C<4>}	118.5542	4.007	4	118.5542	16.058	4	118.5542	16.058	4	118.5542	16.058	4	115.8289	25.391	7	115.8289	25.391	7
786	924	999	0:SP3_SP-NON_SP3	B[5]	Br	N[5]	4:4:1:1:	4:	3:4:4:4:	P[5]-4:N[5]-4:Br-1:H-1:	B[5]-4:	C[5,6a]-3:B[5]-4:C-4:C-4:	B[5](P[5]C[5,6a]C[6a]2)(N[5]C[5,6a]CC)(Br)(H)	Br(B[5]N[5]P[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(B[5]P[5]BrH)(CH3)2	B[5](P[5]C[5,6a]C[6a]2)(N[5]C[5,6a]CC)(Br)(H){6|C<3>}	Br(B[5]N[5]P[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(B[5]P[5]BrH)(CH3)2{1|H<1>,4|C<3>}	113.4090	0.000	1	113.4090	0.000	1	113.4090	0.000	1	113.4090	0.000	1	113.4090	0.000	1	113.4090	0.000	1
786	930	976	0:SP3_SP2_SP2	B[5,5]	C	O[5]	4:2:2:3:	4:2:1:	4:3:	N[5,5]-4:O[5]-2:O[5]-2:C-3:	B[5,5]-4:C-2:H-1:	B[5,5]-4:C[5]-3:	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CCH)	C(B[5,5]N[5,5]O[5]2)(CRu)(H)	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]O)	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CCH){2|O<1>,4|H<1>}	C(B[5,5]N[5,5]O[5]2)(CRu)(H)	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]O){1|C<3>,2|C<4>,2|H<1>}	113.2395	1.866	2	113.2395	3.482	2	113.2395	3.482	2	113.2395	3.482	2	113.3473	6.419	24	113.3473	6.419	24
786	930	976	0:SP3_SP2_SP2	B[5,5]	C	O[5]	4:2:2:3:	4:3:1:	4:3:	N[5,5]-4:O[5]-2:O[5]-2:C-3:	B[5,5]-4:C-3:H-1:	B[5,5]-4:C[5]-3:	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CCH)	C(B[5,5]N[5,5]O[5]2)(CC[6a]2)(H)	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]O)	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CCH){2|O<1>,4|H<1>}	C(B[5,5]N[5,5]O[5]2)(CC[6a]2)(H)	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]O){1|C<3>,2|C<4>,2|H<1>}	114.8902	5.239	4	114.8902	27.449	4	114.4440	17.144	6	113.7920	9.688	12	113.3473	6.419	24	113.3473	6.419	24
786	930	976	0:SP3_SP2_SP2	B[5,5]	C	O[5]	4:2:2:3:	4:3:1:	4:3:	N[5,5]-4:O[5]-2:O[5]-2:C-3:	B[5,5]-4:C-3:H-1:	B[5,5]-4:C[5]-3:	B[5,5](N[5,5]C[6,6]C[5]2)(O[5]C[5])2(CCH)	C(B[5,5]N[5,5]O[5]2)(CCH)(H)	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]O)	B[5,5](N[5,5]C[6,6]C[5]2)(O[5]C[5])2(CCH){2|C<4>,2|O<1>,5|H<1>}	C(B[5,5]N[5,5]O[5]2)(CCH)(H)	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]O){1|C<3>,2|C<4>,2|H<1>}	113.5515	0.991	2	113.5515	0.981	2	114.4440	17.144	6	113.7920	9.688	12	113.3473	6.419	24	113.3473	6.419	24
786	930	976	0:SP3_SP2_SP2	B[5,5]	C	O[5]	4:2:2:3:	4:3:1:	4:3:	N[5,5]-4:O[5]-2:O[5]-2:C-3:	B[5,5]-4:C-3:I-1:	B[5,5]-4:C[5]-3:	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CCI)	C(B[5,5]N[5,5]O[5]2)(CC[6a]F)(I)	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]O)	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CCI){2|O<1>,4|H<1>}	C(B[5,5]N[5,5]O[5]2)(CC[6a]F)(I)	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]O){1|C<3>,2|C<4>,2|H<1>}	112.7875	1.108	4	112.7875	1.229	4	112.7875	1.229	4	113.7920	9.688	12	113.3473	6.419	24	113.3473	6.419	24
786	930	976	0:SP3_SP2_SP2	B[5,5]	C	O[5]	4:2:2:3:	4:3:1:	4:3:	N[5,5]-4:O[5]-2:O[5]-2:C-3:	B[5,5]-4:C[5]-3:H-1:	B[5,5]-4:C[5]-3:	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CC[5]H)	C(B[5,5]N[5,5]O[5]2)(C[5]C[5,6a]N[5])(H)	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]O)	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CC[5]H){2|O<1>,4|H<1>}	C(B[5,5]N[5,5]O[5]2)(C[5]C[5,6a]N[5])(H)	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]O){1|C<3>,2|C<4>,2|H<1>}	113.8450	3.251	2	113.8450	10.571	2	113.8450	10.571	2	113.7920	9.688	12	113.3473	6.419	24	113.3473	6.419	24
786	930	976	0:SP3_SP2_SP2	B[5,5]	C	O[5]	4:2:2:3:	4:3:3:	4:3:	N[5,5]-4:O[5]-2:O[5]-2:C-3:	B[5,5]-4:C[6a]-3:C-3:	B[5,5]-4:C[5]-3:	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CC[6a]C)	C(B[5,5]N[5,5]O[5]2)(C[6a]C[6a]2)(CHN)	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]O)	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CC[6a]C){2|O<1>,4|H<1>}	C(B[5,5]N[5,5]O[5]2)(C[6a]C[6a]2)(CHN)	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]O){1|C<3>,2|C<4>,2|H<1>}	113.7360	0.095	2	113.7360	0.009	2	113.7360	0.009	2	113.7360	0.009	2	113.3473	6.419	24	113.3473	6.419	24
786	930	976	0:SP3_SP2_SP2	B[5,5]	C	O[5]	4:2:2:3:	4:3:4:	4:3:	N[5,5]-4:O[5]-2:O[5]-2:C-3:	B[5,5]-4:C-3:C-4:	B[5,5]-4:C[5]-3:	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CCC)	C(B[5,5]N[5,5]O[5]2)(CBrH)(CH3)	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]O)	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CCC){2|O<1>,4|H<1>}	C(B[5,5]N[5,5]O[5]2)(CBrH)(CH3)	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]O){1|C<3>,2|C<4>,2|H<1>}	112.6175	1.513	2	112.6175	2.288	2	112.6175	2.288	2	112.6175	2.288	2	113.3473	6.419	24	113.3473	6.419	24
786	930	976	0:SP3_SP2_SP2	B[5,5]	C	O[5]	4:2:2:3:	4:4:1:	4:3:	N[5,5]-4:O[5]-2:O[5]-2:C-3:	B[5,5]-4:C-4:O-1:	B[5,5]-4:C[5]-3:	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CCO)	C(B[5,5]N[5,5]O[5]2)(CCHH)(O)	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]O)	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CCO){2|O<1>,4|H<1>}	C(B[5,5]N[5,5]O[5]2)(CCHH)(O)	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]O){1|C<3>,2|C<4>,2|H<1>}	112.6075	2.376	6	112.6075	5.647	6	112.6075	5.647	6	112.6075	5.647	6	113.3473	6.419	24	113.3473	6.419	24
786	930	976	0:SP3_SP2_SP3	B[5,5]	C	O[5]	4:2:2:3:	4:3:1:	4:4:	N[5,5]-4:O[5]-2:O[5]-2:C-3:	B[5,5]-4:C-3:H-1:	B[5,5]-4:C[5]-4:	B[5,5](N[5,5]C[5]2H)(O[5]C[5])2(CCH)	C(B[5,5]N[5,5]O[5]2)(CC[6]H)(H)	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]HH)	B[5,5](N[5,5]C[5]2H)(O[5]C[5])2(CCH){8|H<1>}	C(B[5,5]N[5,5]O[5]2)(CC[6]H)(H)	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]HH){2|C<4>,3|H<1>}	113.5625	1.749	2	113.5625	3.058	2	113.6208	1.089	4	113.6208	1.089	4	113.9397	1.657	12	113.9397	1.657	12
786	930	976	0:SP3_SP2_SP3	B[5,5]	C	O[5]	4:2:2:3:	4:3:1:	4:4:	N[5,5]-4:O[5]-2:O[5]-2:C-3:	B[5,5]-4:C-3:H-1:	B[5,5]-4:C[5]-4:	B[5,5](N[5,5]C[5]2H)(O[5]C[5])2(CCH)	C(B[5,5]N[5,5]O[5]2)(CC[6a]H)(H)	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]HH)	B[5,5](N[5,5]C[5]2H)(O[5]C[5])2(CCH){8|H<1>}	C(B[5,5]N[5,5]O[5]2)(CC[6a]H)(H)	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]HH){2|C<4>,3|H<1>}	113.6790	0.443	2	113.6790	0.196	2	113.6208	1.089	4	113.6208	1.089	4	113.9397	1.657	12	113.9397	1.657	12
786	930	976	0:SP3_SP2_SP3	B[5,5]	C	O[5]	4:2:2:3:	4:4:3:	4:4:	N[5,5]-4:O[5]-2:O[5]-2:C-3:	B[5,5]-4:C-4:C-3:	B[5,5]-4:C[5]-4:	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CCC)	C(B[5,5]N[5,5]O[5]2)(CH3)(CCH)	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[6a]C[5]H)	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CCC){2|C<3>,6|H<1>}	C(B[5,5]N[5,5]O[5]2)(CH3)(CCH)	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[6a]C[5]H){2|C<3>,2|H<1>,3|C<4>}	114.0991	1.432	8	114.0991	2.050	8	114.0991	2.050	8	114.0991	2.050	8	113.9397	1.657	12	113.9397	1.657	12
786	930	999	0:SP3_SP2_SP3	B[5,5]	C	N[5,5]	4:2:2:3:	4:2:1:	4:4:4:4:	N[5,5]-4:O[5]-2:O[5]-2:C-3:	B[5,5]-4:C-2:H-1:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CCH)	C(B[5,5]N[5,5]O[5]2)(CRu)(H)	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3)	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CCH){2|O<1>,4|H<1>}	C(B[5,5]N[5,5]O[5]2)(CRu)(H)	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3){2|O<1>}	113.0100	0.000	1	113.0100	0.000	1	113.0100	0.000	1	113.0100	0.000	1	114.4961	2.736	18	114.4961	2.736	18
786	930	999	0:SP3_SP2_SP3	B[5,5]	C	N[5,5]	4:2:2:3:	4:3:1:	4:4:4:1:	N[5,5]-4:O[5]-2:O[5]-2:C-3:	B[5,5]-4:C-3:H-1:	B[5,5]-4:C[5]-4:C[5]-4:H-1:	B[5,5](N[5,5]C[5]2H)(O[5]C[5])2(CCH)	C(B[5,5]N[5,5]O[5]2)(CC[6]H)(H)	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(H)	B[5,5](N[5,5]C[5]2H)(O[5]C[5])2(CCH){8|H<1>}	C(B[5,5]N[5,5]O[5]2)(CC[6]H)(H)	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(H){4|H<1>}	112.8710	0.000	1	112.8710	0.000	1	112.2330	0.814	2	112.2330	0.814	2	114.4961	2.736	18	114.4961	2.736	18
786	930	999	0:SP3_SP2_SP3	B[5,5]	C	N[5,5]	4:2:2:3:	4:3:1:	4:4:4:1:	N[5,5]-4:O[5]-2:O[5]-2:C-3:	B[5,5]-4:C-3:H-1:	B[5,5]-4:C[5]-4:C[5]-4:H-1:	B[5,5](N[5,5]C[5]2H)(O[5]C[5])2(CCH)	C(B[5,5]N[5,5]O[5]2)(CC[6a]H)(H)	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(H)	B[5,5](N[5,5]C[5]2H)(O[5]C[5])2(CCH){8|H<1>}	C(B[5,5]N[5,5]O[5]2)(CC[6a]H)(H)	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(H){4|H<1>}	111.5950	0.000	1	111.5950	0.000	1	112.2330	0.814	2	112.2330	0.814	2	114.4961	2.736	18	114.4961	2.736	18
786	930	999	0:SP3_SP2_SP3	B[5,5]	C	N[5,5]	4:2:2:3:	4:3:1:	4:4:4:4:	N[5,5]-4:O[5]-2:O[5]-2:C-3:	B[5,5]-4:C-3:H-1:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CCH)	C(B[5,5]N[5,5]O[5]2)(CC[6a]2)(H)	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3)	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CCH){2|O<1>,4|H<1>}	C(B[5,5]N[5,5]O[5]2)(CC[6a]2)(H)	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3){2|O<1>}	114.7145	0.812	2	114.7145	0.660	2	114.7145	0.660	2	115.5650	1.574	6	114.4961	2.736	18	114.4961	2.736	18
786	930	999	0:SP3_SP2_SP3	B[5,5]	C	N[5,5]	4:2:2:3:	4:3:1:	4:4:4:4:	N[5,5]-4:O[5]-2:O[5]-2:C-3:	B[5,5]-4:C-3:H-1:	C[6,6]-4:B[5,5]-4:C[5]-4:C[5]-4:	B[5,5](N[5,5]C[6,6]C[5]2)(O[5]C[5])2(CCH)	C(B[5,5]N[5,5]O[5]2)(CCH)(H)	N[5,5](C[6,6]C[6,6]2H)(B[5,5]O[5]2C)(C[5]C[5]HH)2	B[5,5](N[5,5]C[6,6]C[5]2)(O[5]C[5])2(CCH){2|C<4>,2|O<1>,5|H<1>}	C(B[5,5]N[5,5]O[5]2)(CCH)(H)	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>}	117.7190	0.000	1	117.7190	0.000	1	117.7190	0.000	1	115.5650	1.574	6	114.4961	2.736	18	114.4961	2.736	18
786	930	999	0:SP3_SP2_SP3	B[5,5]	C	N[5,5]	4:2:2:3:	4:3:1:	4:4:4:4:	N[5,5]-4:O[5]-2:O[5]-2:C-3:	B[5,5]-4:C-3:I-1:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CCI)	C(B[5,5]N[5,5]O[5]2)(CC[6a]F)(I)	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3)	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CCI){2|O<1>,4|H<1>}	C(B[5,5]N[5,5]O[5]2)(CC[6a]F)(I)	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3){2|O<1>}	115.3995	1.026	2	115.3995	1.053	2	115.3995	1.053	2	115.5650	1.574	6	114.4961	2.736	18	114.4961	2.736	18
786	930	999	0:SP3_SP2_SP3	B[5,5]	C	N[5,5]	4:2:2:3:	4:3:1:	4:4:4:4:	N[5,5]-4:O[5]-2:O[5]-2:C-3:	B[5,5]-4:C[5]-3:H-1:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CC[5]H)	C(B[5,5]N[5,5]O[5]2)(C[5]C[5,6a]N[5])(H)	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3)	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CC[5]H){2|O<1>,4|H<1>}	C(B[5,5]N[5,5]O[5]2)(C[5]C[5,6a]N[5])(H)	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3){2|O<1>}	115.4430	0.000	1	115.4430	0.000	1	115.4430	0.000	1	115.5650	1.574	6	114.4961	2.736	18	114.4961	2.736	18
786	930	999	0:SP3_SP2_SP3	B[5,5]	C	N[5,5]	4:2:2:3:	4:3:3:	4:4:4:4:	N[5,5]-4:O[5]-2:O[5]-2:C-3:	B[5,5]-4:C[6a]-3:C-3:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CC[6a]C)	C(B[5,5]N[5,5]O[5]2)(C[6a]C[6a]2)(CHN)	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3)	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CC[6a]C){2|O<1>,4|H<1>}	C(B[5,5]N[5,5]O[5]2)(C[6a]C[6a]2)(CHN)	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3){2|O<1>}	114.9650	0.000	1	114.9650	0.000	1	114.9650	0.000	1	114.9650	0.000	1	114.4961	2.736	18	114.4961	2.736	18
786	930	999	0:SP3_SP2_SP3	B[5,5]	C	N[5,5]	4:2:2:3:	4:3:4:	4:4:4:4:	N[5,5]-4:O[5]-2:O[5]-2:C-3:	B[5,5]-4:C-3:C-4:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CCC)	C(B[5,5]N[5,5]O[5]2)(CBrH)(CH3)	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3)	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CCC){2|O<1>,4|H<1>}	C(B[5,5]N[5,5]O[5]2)(CBrH)(CH3)	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3){2|O<1>}	116.6100	0.000	1	116.6100	0.000	1	116.6100	0.000	1	116.6100	0.000	1	114.4961	2.736	18	114.4961	2.736	18
786	930	999	0:SP3_SP2_SP3	B[5,5]	C	N[5,5]	4:2:2:3:	4:4:1:	4:4:4:4:	N[5,5]-4:O[5]-2:O[5]-2:C-3:	B[5,5]-4:C-4:O-1:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CCO)	C(B[5,5]N[5,5]O[5]2)(CCHH)(O)	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3)	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CCO){2|O<1>,4|H<1>}	C(B[5,5]N[5,5]O[5]2)(CCHH)(O)	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3){2|O<1>}	113.7897	2.220	3	113.7897	4.930	3	113.7897	4.930	3	113.7897	4.930	3	114.4961	2.736	18	114.4961	2.736	18
786	930	999	0:SP3_SP2_SP3	B[5,5]	C	N[5,5]	4:2:2:3:	4:4:3:	4:4:4:4:	N[5,5]-4:O[5]-2:O[5]-2:C-3:	B[5,5]-4:C-4:C-3:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CCC)	C(B[5,5]N[5,5]O[5]2)(CH3)(CCH)	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CCHH)	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CCC){2|C<3>,6|H<1>}	C(B[5,5]N[5,5]O[5]2)(CH3)(CCH)	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CCHH){2|C<3>,2|H<1>}	113.2760	0.000	1	113.2760	0.000	1	114.2800	0.760	4	114.2800	0.760	4	114.4961	2.736	18	114.4961	2.736	18
786	930	999	0:SP3_SP2_SP3	B[5,5]	C	N[5,5]	4:2:2:3:	4:4:3:	4:4:4:4:	N[5,5]-4:O[5]-2:O[5]-2:C-3:	B[5,5]-4:C-4:C-3:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CCC)	C(B[5,5]N[5,5]O[5]2)(CH3)(CCH)	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CC[6a]HH)	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CCC){2|C<3>,6|H<1>}	C(B[5,5]N[5,5]O[5]2)(CH3)(CCH)	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CC[6a]HH){2|C<3>,2|H<1>}	114.6147	0.685	3	114.6147	0.469	3	114.2800	0.760	4	114.2800	0.760	4	114.4961	2.736	18	114.4961	2.736	18
786	944	944	0:SP3_SP-NON_SP-NON	B[5]	I	I	4:4:1:1:	4:	4:	P[5]-4:P[5]-4:I-1:I-1:	B[5]-4:	B[5]-4:	B[5](P[5]C[5,6a]CC)2(I)2	I(B[5]P[5]2I)	I(B[5]P[5]2I)	B[5](P[5]C[5,6a]CC)2(I)2{2|C<3>}	I(B[5]P[5]2I)	I(B[5]P[5]2I)	114.0480	0.000	1	114.0480	0.000	1	114.0480	0.000	1	114.0480	0.000	1	114.0480	0.000	1	114.0480	0.000	1
786	944	955	0:SP3_SP-NON_SP3	B[5]	I	P[5]	4:4:1:1:	4:	3:4:4:4:	P[5]-4:P[5]-4:I-1:I-1:	B[5]-4:	C[5,6a]-3:B[5]-4:C-4:C-4:	B[5](P[5]C[5,6a]CC)2(I)2	I(B[5]P[5]2I)	P[5](C[5,6a]C[5,6a]C[6a])(B[5]P[5]II)(CH3)2	B[5](P[5]C[5,6a]CC)2(I)2{2|C<3>}	I(B[5]P[5]2I)	P[5](C[5,6a]C[5,6a]C[6a])(B[5]P[5]II)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	110.5610	2.949	4	110.5610	8.698	4	110.5610	8.698	4	110.5610	8.698	4	110.5610	8.698	4	110.5610	8.698	4
786	944	999	0:SP3_SP-NON_SP3	B[5]	I	N[5]	3:3:4:1:	4:	4:4:4:4:	B[5]-3:C[6a]-3:N[5]-4:I-1:	B[5]-4:	B[5]-4:C[5]-4:C-4:C-4:	B[5](B[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]CC)(I)	I(B[5]C[6a]B[5]N[5])	N[5](B[5]C[6a]B[5]I)(C[5]C[5]HH)(CCHH)2	B[5](B[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]CC)(I){2|C<4>,4|C<3>,4|H<1>}	I(B[5]C[6a]B[5]N[5])	N[5](B[5]C[6a]B[5]I)(C[5]C[5]HH)(CCHH)2{2|H<1>,3|C<3>}	102.3180	0.000	1	102.3180	0.000	1	102.3180	0.000	1	102.3180	0.000	1	102.3180	0.000	1	102.3180	0.000	1
786	951	951	0:SP3_SP-NON_SP-NON	B[5]	H	H	3:2:1:1:	4:	4:	C[5,6a]-3:O[5]-2:H-1:H-1:	B[5]-4:	B[5]-4:	B[5](C[5,6a]C[5,6a]C[6a])(O[5]P[5])(H)2	H(B[5]C[5,6a]O[5]H)	H(B[5]C[5,6a]O[5]H)	B[5](C[5,6a]C[5,6a]C[6a])(O[5]P[5])(H)2{1|H<1>,2|C<3>,2|C<4>}	H(B[5]C[5,6a]O[5]H)	H(B[5]C[5,6a]O[5]H)	103.9680	0.000	1	103.9680	0.000	1	103.9680	0.000	1	103.9680	0.000	1	109.3871	10.744	8	109.3871	10.744	8
786	951	951	0:SP3_SP-NON_SP-NON	B[5]	H	H	3:3:1:1:	4:	4:	N[5,6]-3:N[5]-3:H-1:H-1:	B[5]-4:	B[5]-4:	B[5](N[5,6]C[5,6]C[6])(N[5]C[6a]C[5])(H)2	H(B[5]N[5,6]N[5]H)	H(B[5]N[5,6]N[5]H)	B[5](N[5,6]C[5,6]C[6])(N[5]C[6a]C[5])(H)2{1|C<4>,2|H<1>,4|C<3>}	H(B[5]N[5,6]N[5]H)	H(B[5]N[5,6]N[5]H)	109.7910	0.000	1	109.7910	0.000	1	109.7910	0.000	1	109.7910	0.000	1	109.3871	10.744	8	109.3871	10.744	8
786	951	951	0:SP3_SP-NON_SP-NON	B[5]	H	H	3:4:1:1:	4:	4:	C[5,6a]-3:N[5]-4:H-1:H-1:	B[5]-4:	B[5]-4:	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]HH)(H)2	H(B[5]C[5,6a]N[5]H)	H(B[5]C[5,6a]N[5]H)	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]HH)(H)2{2|C<3>,3|H<1>}	H(B[5]C[5,6a]N[5]H)	H(B[5]C[5,6a]N[5]H)	111.2550	0.000	1	111.2550	0.000	1	111.2550	0.000	1	111.2550	0.000	1	109.3871	10.744	8	109.3871	10.744	8
786	951	951	0:SP3_SP-NON_SP-NON	B[5]	H	H	4:3:1:1:	4:	4:	N[5]-4:C[5]-3:H-1:H-1:	B[5]-4:	B[5]-4:	B[5](N[5]C[5]CC)(C[5]C[5]H)(H)2	H(B[5]C[5]N[5]H)	H(B[5]C[5]N[5]H)	B[5](N[5]C[5]CC)(C[5]C[5]H)(H)2{1|C<4>,2|H<1>}	H(B[5]C[5]N[5]H)	H(B[5]C[5]N[5]H)	111.1010	0.000	1	111.1010	0.000	1	111.1010	0.000	1	111.0180	1.232	3	109.3871	10.744	8	109.3871	10.744	8
786	951	951	0:SP3_SP-NON_SP-NON	B[5]	H	H	4:3:1:1:	4:	4:	P[5]-4:C[5]-3:H-1:H-1:	B[5]-4:	B[5]-4:	B[5](P[5]N[5]CC)(C[5]P[5]C)(H)2	H(B[5]C[5]P[5]H)	H(B[5]C[5]P[5]H)	B[5](P[5]N[5]CC)(C[5]P[5]C)(H)2{2|C<3>}	H(B[5]C[5]P[5]H)	H(B[5]C[5]P[5]H)	110.9765	1.566	2	110.9765	2.453	2	110.9765	2.453	2	111.0180	1.232	3	109.3871	10.744	8	109.3871	10.744	8
786	951	951	0:SP3_SP-NON_SP-NON	B[5]	H	H	4:4:1:1:	4:	4:	P[5]-4:N[5]-4:H-1:H-1:	B[5]-4:	B[5]-4:	B[5](P[5]C[5,6a]C[6a]2)(N[5]C[5,6a]CC)(H)2	H(B[5]N[5]P[5]H)	H(B[5]N[5]P[5]H)	B[5](P[5]C[5,6a]C[6a]2)(N[5]C[5,6a]CC)(H)2{6|C<3>}	H(B[5]N[5]P[5]H)	H(B[5]N[5]P[5]H)	104.6270	0.000	1	104.6270	0.000	1	104.6270	0.000	1	108.5145	30.225	2	109.3871	10.744	8	109.3871	10.744	8
786	951	951	0:SP3_SP-NON_SP-NON	B[5]	H	H	4:4:1:1:	4:	4:	P[5]-4:P[5]-4:H-1:H-1:	B[5]-4:	B[5]-4:	B[5](P[5]C[5]C[6]2)2(H)2	H(B[5]P[5]2H)	H(B[5]P[5]2H)	B[5](P[5]C[5]C[6]2)2(H)2{8|C<4>,8|H<1>}	H(B[5]P[5]2H)	H(B[5]P[5]2H)	112.4020	0.000	1	112.4020	0.000	1	112.4020	0.000	1	108.5145	30.225	2	109.3871	10.744	8	109.3871	10.744	8
786	951	955	0:SP3_SP-NON_SP3	B[5]	H	P[5]	3:4:3:1:	4:	3:4:4:4:	C[5,6a]-3:P[5]-4:N-3:H-1:	B[5]-4:	C[5,6a]-3:B[5]-4:C-4:C-4:	B[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]CC)(NSS)(H)	H(B[5]C[5,6a]P[5]N)	P[5](C[5,6a]C[5,6a,6a]C[6a])(B[5]C[5,6a]HN)(CCCH)2	B[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]CC)(NSS)(H){1|H<1>,3|C<3>}	H(B[5]C[5,6a]P[5]N)	P[5](C[5,6a]C[5,6a,6a]C[6a])(B[5]C[5,6a]HN)(CCCH)2{1|H<1>,3|C<3>}	107.4810	0.000	1	107.4810	0.000	1	107.4810	0.000	1	107.4810	0.000	1	108.6616	18.326	16	108.6616	18.326	16
786	951	955	0:SP3_SP-NON_SP3	B[5]	H	P[5]	4:3:1:1:	4:	4:2:4:4:	P[5]-4:C[5]-3:H-1:H-1:	B[5]-4:	B[5]-4:N[5]-2:C-4:C-4:	B[5](P[5]N[5]CC)(C[5]P[5]C)(H)2	H(B[5]C[5]P[5]H)	P[5](B[5]C[5]HH)(N[5]P[5])(CCCH)2	B[5](P[5]N[5]CC)(C[5]P[5]C)(H)2{2|C<3>}	H(B[5]C[5]P[5]H)	P[5](B[5]C[5]HH)(N[5]P[5])(CCCH)2{3|C<3>}	108.4253	1.146	4	108.4253	1.312	4	108.4253	1.312	4	108.4253	1.312	4	108.6616	18.326	16	108.6616	18.326	16
786	951	955	0:SP3_SP-NON_SP3	B[5]	H	P[5]	4:4:1:1:	4:	3:3:3:4:	P[5]-4:N[5]-4:H-1:H-1:	B[5]-4:	C[5,6a]-3:C[6a]-3:C[6a]-3:B[5]-4:	B[5](P[5]C[5,6a]C[6a]2)(N[5]C[5,6a]CC)(H)2	H(B[5]N[5]P[5]H)	P[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(B[5]N[5]HH)	B[5](P[5]C[5,6a]C[6a]2)(N[5]C[5,6a]CC)(H)2{6|C<3>}	H(B[5]N[5]P[5]H)	P[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(B[5]N[5]HH){2|C<4>,5|H<1>,6|C<3>}	111.5055	14.157	2	111.5055	200.420	2	111.5055	200.420	2	111.5055	200.420	2	108.6616	18.326	16	108.6616	18.326	16
786	951	955	0:SP3_SP-NON_SP3	B[5]	H	P[5]	4:4:1:1:	4:	3:4:3:3:	P[5]-4:N[5]-4:Br-1:H-1:	B[5]-4:	C[5,6a]-3:B[5]-4:C[6a]-3:C[6a]-3:	B[5](P[5]C[5,6a]C[6a]2)(N[5]C[5,6a]CC)(Br)(H)	H(B[5]N[5]P[5]Br)	P[5](C[5,6a]C[5,6a]C[6a])(B[5]N[5]BrH)(C[6a]C[6a]2)2	B[5](P[5]C[5,6a]C[6a]2)(N[5]C[5,6a]CC)(Br)(H){6|C<3>}	H(B[5]N[5]P[5]Br)	P[5](C[5,6a]C[5,6a]C[6a])(B[5]N[5]BrH)(C[6a]C[6a]2)2{2|C<4>,5|H<1>,6|C<3>}	108.6660	0.000	1	108.6660	0.000	1	108.6660	0.000	1	108.6660	0.000	1	108.6616	18.326	16	108.6616	18.326	16
786	951	955	0:SP3_SP-NON_SP3	B[5]	H	P[5]	4:4:1:1:	4:	4:4:4:4:	P[5]-4:P[5]-4:Br-1:H-1:	B[5]-4:	B[5]-4:C[5]-4:C[6]-4:C[6]-4:	B[5](P[5]C[5]C[6]2)2(Br)(H)	H(B[5]P[5]2Br)	P[5](B[5]P[5]BrH)(C[5]C[5]HH)(C[6]C[6]2H)2	B[5](P[5]C[5]C[6]2)2(Br)(H){8|C<4>,8|H<1>}	H(B[5]P[5]2Br)	P[5](B[5]P[5]BrH)(C[5]C[5]HH)(C[6]C[6]2H)2{10|H<1>,6|C<4>}	105.7673	0.312	4	105.7673	0.097	4	105.7673	0.097	4	108.2157	7.307	8	108.6616	18.326	16	108.6616	18.326	16
786	951	955	0:SP3_SP-NON_SP3	B[5]	H	P[5]	4:4:1:1:	4:	4:4:4:4:	P[5]-4:P[5]-4:H-1:H-1:	B[5]-4:	B[5]-4:C[5]-4:C[6]-4:C[6]-4:	B[5](P[5]C[5]C[6]2)2(H)2	H(B[5]P[5]2H)	P[5](B[5]P[5]HH)(C[5]C[5]HH)(C[6]C[6]2H)2	B[5](P[5]C[5]C[6]2)2(H)2{8|C<4>,8|H<1>}	H(B[5]P[5]2H)	P[5](B[5]P[5]HH)(C[5]C[5]HH)(C[6]C[6]2H)2{10|H<1>,6|C<4>}	110.6642	0.983	4	110.6642	0.966	4	110.6642	0.966	4	108.2157	7.307	8	108.6616	18.326	16	108.6616	18.326	16
786	951	956	0:SP3_SP-NON_SP2	B[5]	H	N	3:4:3:1:	4:	4:4:4:	C[5,6a]-3:P[5]-4:N-3:H-1:	B[5]-4:	B[5]-4:S-4:S-4:	B[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]CC)(NSS)(H)	H(B[5]C[5,6a]P[5]N)	N(B[5]C[5,6a]P[5]H)(SCOO)2	B[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]CC)(NSS)(H){1|H<1>,3|C<3>}	H(B[5]C[5,6a]P[5]N)	N(B[5]C[5,6a]P[5]H)(SCOO)2	103.1090	0.000	1	103.1090	0.000	1	103.1090	0.000	1	103.1090	0.000	1	103.1090	0.000	1	103.1090	0.000	1
786	951	976	0:SP3_SP-NON_SP2	B[5]	H	O[5]	4:3:2:1:	4:	4:3:	C[5]-4:C[5]-3:O[5]-2:H-1:	B[5]-4:	B[5]-4:C[5]-3:	B[5](C[5]C[5]CH)(C[5]N[5]2)(O[5]C[5])(H)	H(B[5]C[5]2O[5])	O[5](B[5]C[5]2H)(C[5]C[5]O)	B[5](C[5]C[5]CH)(C[5]N[5]2)(O[5]C[5])(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(B[5]C[5]2O[5])	O[5](B[5]C[5]2H)(C[5]C[5]O){1|C<3>,2|N<3>,3|H<1>}	108.7423	2.456	3	109.0025	3.779	6	109.0025	3.779	6	109.0025	3.779	6	109.0025	3.779	6	109.0025	3.779	6
786	951	976	0:SP3_SP-NON_SP2	B[5]	H	O[5]	4:3:2:1:	4:	4:3:	C[5]-4:C[5]-3:O[5]-2:H-1:	B[5]-4:	B[5]-4:C[5]-3:	B[5](C[5]C[5]CH)(C[5]N[5]2)(O[5]C[5])(H)	H(B[5]C[5]2O[5])	O[5](B[5]C[5]2H)(C[5]C[5]O)	B[5](C[5]C[5]CH)(C[5]N[5]2)(O[5]C[5])(H){1|O<1>,2|H<1>,4|C<3>}	H(B[5]C[5]2O[5])	O[5](B[5]C[5]2H)(C[5]C[5]O){1|C<3>,2|N<3>,3|H<1>}	109.2627	1.793	3	109.0025	3.779	6	109.0025	3.779	6	109.0025	3.779	6	109.0025	3.779	6	109.0025	3.779	6
786	951	976	0:SP3_SP-NON_SP3	B[5]	H	O[5]	2:2:4:1:	4:	4:4:	O[5]-2:O[5]-2:N-4:H-1:	B[5]-4:	B[5]-4:C[5]-4:	B[5](O[5]C[5])2(NCHH)(H)	H(B[5]O[5]2N)	O[5](B[5]O[5]HN)(C[5]C[5]CC)	B[5](O[5]C[5])2(NCHH)(H){4|C<4>}	H(B[5]O[5]2N)	O[5](B[5]O[5]HN)(C[5]C[5]CC){2|C<4>}	111.1535	0.013	2	111.1535	0.000	2	111.1535	0.000	2	111.1535	0.000	2	109.5597	1.777	6	109.5597	1.777	6
786	951	976	0:SP3_SP-NON_SP3	B[5]	H	O[5]	3:2:1:1:	4:	4:4:	C[5,6a]-3:O[5]-2:H-1:H-1:	B[5]-4:	B[5]-4:P[5]-4:	B[5](C[5,6a]C[5,6a]C[6a])(O[5]P[5])(H)2	H(B[5]C[5,6a]O[5]H)	O[5](B[5]C[5,6a]HH)(P[5]C[5,6a]CC)	B[5](C[5,6a]C[5,6a]C[6a])(O[5]P[5])(H)2{1|H<1>,2|C<3>,2|C<4>}	H(B[5]C[5,6a]O[5]H)	O[5](B[5]C[5,6a]HH)(P[5]C[5,6a]CC){2|C<3>}	108.7220	0.000	1	108.7220	0.000	1	108.7220	0.000	1	108.7220	0.000	1	109.5597	1.777	6	109.5597	1.777	6
786	951	976	0:SP3_SP-NON_SP3	B[5]	H	O[5]	3:2:2:1:	4:	4:4:	C[5]-3:O[5]-2:O[5]-2:H-1:	B[5]-4:	B[5]-4:C[5]-4:	B[5](C[5]C[5]N[5])(O[5]C[5])2(H)	H(B[5]C[5]O[5]2)	O[5](B[5]C[5]O[5]H)(C[5]C[5]CC)	B[5](C[5]C[5]N[5])(O[5]C[5])2(H){1|N<3>,3|C<3>,4|C<4>}	H(B[5]C[5]O[5]2)	O[5](B[5]C[5]O[5]H)(C[5]C[5]CC){1|C<3>,1|N<3>,2|C<4>}	109.6540	0.000	1	109.6540	0.000	1	109.6540	0.000	1	109.6540	0.000	1	109.5597	1.777	6	109.5597	1.777	6
786	951	976	0:SP3_SP-NON_SP3	B[5]	H	O[5]	3:3:2:1:	4:	4:4:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	B[5]-4:	B[5]-4:P[5]-4:	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]P[5])(H)	H(B[5]C[5,6a]C[6a]O[5])	O[5](B[5]C[5,6a]C[6a]H)(P[5]C[5,6a]CC)	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]P[5])(H){1|H<1>,2|C<4>,2|F<1>,4|C<3>}	H(B[5]C[5,6a]C[6a]O[5])	O[5](B[5]C[5,6a]C[6a]H)(P[5]C[5,6a]CC){4|C<3>}	108.3375	0.323	2	108.3375	0.104	2	108.3375	0.104	2	108.3375	0.104	2	109.5597	1.777	6	109.5597	1.777	6
786	951	992	0:SP3_SP-NON_SP3	B[5]	H	P	3:3:4:1:	4:	4:4:4:1:	C[5,6a]-3:C[5,6a]-3:P-4:H-1:	B[5]-4:	B[5]-4:C-4:C-4:H-1:	B[5](C[5,6a]C[5,6a]C[6a])2(PCCH)(H)	H(B[5]C[5,6a]2P)	P(B[5]C[5,6a]2H)(CC3)2(H)	B[5](C[5,6a]C[5,6a]C[6a])2(PCCH)(H){2|H<1>,4|C<3>}	H(B[5]C[5,6a]2P)	P(B[5]C[5,6a]2H)(CC3)2(H)	103.0330	0.000	1	103.0330	0.000	1	103.0330	0.000	1	103.0330	0.000	1	103.0330	0.000	1	103.0330	0.000	1
786	951	999	0:SP3_SP-NON_SP3	B[5,5,6]	H	N[5,5,6]	4:4:4:1:	4:	4:4:4:1:	N[5,5,6]-4:N[5,5,6]-4:C[5,6]-4:H-1:	B[5,5,6]-4:	B[5,5,6]-4:B[5,5,6]-4:C[5,6]-4:H-1:	B[5,5,6](N[5,5,6]B[5,5,6]C[5,6]H)2(C[5,6]N[5,5,6]HH)(H)	H(B[5,5,6]N[5,5,6]2C[5,6])	N[5,5,6](B[5,5,6]N[5,5,6]C[5,6]H)2(C[5,6]B[5,5,6]HH)(H)	B[5,5,6](N[5,5,6]B[5,5,6]C[5,6]H)2(C[5,6]N[5,5,6]HH)(H){1|B<4>,1|C<4>,1|N<4>,7|H<1>}	H(B[5,5,6]N[5,5,6]2C[5,6])	N[5,5,6](B[5,5,6]N[5,5,6]C[5,6]H)2(C[5,6]B[5,5,6]HH)(H){1|B<4>,1|C<4>,1|N<4>,7|H<1>}	111.7315	1.976	4	111.7315	3.906	4	111.7315	3.906	4	111.7315	3.906	4	111.7315	3.906	4	109.5887	13.774	15
786	951	999	0:SP3_SP-NON_SP3	B[5,5]	H	N[5,5]	3:4:4:1:	4:	4:4:4:4:	C[5,6a]-3:N[5,5]-4:C[5]-4:H-1:	B[5,5]-4:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	B[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2C)(C[5]C[5]CH)(H)	H(B[5,5]C[5,6a]N[5,5]C[5])	N[5,5](B[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5]HH)(CCHH)	B[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2C)(C[5]C[5]CH)(H){2|C<3>,7|H<1>}	H(B[5,5]C[5,6a]N[5,5]C[5])	N[5,5](B[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5]HH)(CCHH){1|C<4>,2|C<3>,3|H<1>}	107.7240	0.000	1	107.7240	0.000	1	108.1805	0.417	2	108.1805	0.417	2	108.1805	0.417	2	109.5887	13.774	15
786	951	999	0:SP3_SP-NON_SP3	B[5,5]	H	N[5,5]	3:4:4:1:	4:	4:4:4:4:	C[5,6a]-3:N[5,5]-4:C[5]-4:H-1:	B[5,5]-4:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	B[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2C)(C[5]C[5]HH)(H)	H(B[5,5]C[5,6a]N[5,5]C[5])	N[5,5](B[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5]HH)(CCHH)	B[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2C)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,5|H<1>}	H(B[5,5]C[5,6a]N[5,5]C[5])	N[5,5](B[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5]HH)(CCHH){2|C<3>,2|C<4>,2|H<1>}	108.6370	0.000	1	108.6370	0.000	1	108.1805	0.417	2	108.1805	0.417	2	108.1805	0.417	2	109.5887	13.774	15
786	951	999	0:SP3_SP-NON_SP3	B[5]	H	N[5,6]	4:3:1:1:	4:	4:4:4:4:	N[5,6]-4:N[5]-3:Cl-1:H-1:	B[5]-4:	B[5]-4:C[5]-4:C[6]-4:C[6]-4:	B[5](N[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(Cl)(H)	H(B[5]N[5,6]N[5]Cl)	N[5,6](B[5]N[5]ClH)(C[5]C[5]HH)(C[6]C[6]HH)2	B[5](N[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(Cl)(H){2|C<3>,2|C<4>,8|H<1>}	H(B[5]N[5,6]N[5]Cl)	N[5,6](B[5]N[5]ClH)(C[5]C[5]HH)(C[6]C[6]HH)2{1|C<3>,1|C<4>,6|H<1>}	112.8090	0.000	1	112.8090	0.000	1	112.8090	0.000	1	112.8090	0.000	1	112.8090	0.000	1	109.5887	13.774	15
786	951	999	0:SP3_SP-NON_SP3	B[5]	H	N[5]	3:3:4:1:	4:	4:4:4:4:	C[5,6a]-3:C[6a]-3:N[5]-4:H-1:	B[5]-4:	B[5]-4:C[5]-4:C-4:C-4:	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]CC)(H)	H(B[5]C[5,6a]C[6a]N[5])	N[5](B[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(CH3)2	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]CC)(H){2|H<1>,3|C<4>,4|C<3>}	H(B[5]C[5,6a]C[6a]N[5])	N[5](B[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(CH3)2{4|C<3>}	102.2200	0.000	1	102.2200	0.000	1	102.2200	0.000	1	102.2200	0.000	1	108.4669	19.705	8	109.5887	13.774	15
786	951	999	0:SP3_SP-NON_SP3	B[5]	H	N[5]	3:4:1:1:	4:	4:4:1:1:	C[5,6a]-3:N[5]-4:H-1:H-1:	B[5]-4:	B[5]-4:C[5]-4:H-1:H-1:	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]HH)(H)2	H(B[5]C[5,6a]N[5]H)	N[5](B[5]C[5,6a]HH)(C[5]C[5,6a]HH)(H)2	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]HH)(H)2{2|C<3>,3|H<1>}	H(B[5]C[5,6a]N[5]H)	N[5](B[5]C[5,6a]HH)(C[5]C[5,6a]HH)(H)2{2|C<3>}	107.8430	1.274	2	107.8430	1.624	2	107.8430	1.624	2	107.8430	1.624	2	108.4669	19.705	8	109.5887	13.774	15
786	951	999	0:SP3_SP-NON_SP3	B[5]	H	N[5]	4:3:1:1:	4:	4:4:4:4:	N[5]-4:C[5]-3:H-1:H-1:	B[5]-4:	B[5]-4:C[5]-4:C-4:C-4:	B[5](N[5]C[5]CC)(C[5]C[5]H)(H)2	H(B[5]C[5]N[5]H)	N[5](B[5]C[5]HH)(C[5]C[5]HH)(CC[6a]HH)(CH3)	B[5](N[5]C[5]CC)(C[5]C[5]H)(H)2{1|C<4>,2|H<1>}	H(B[5]C[5]N[5]H)	N[5](B[5]C[5]HH)(C[5]C[5]HH)(CC[6a]HH)(CH3){1|C<4>,1|H<1>}	107.2600	2.051	2	107.2600	4.205	2	107.2600	4.205	2	107.2600	4.205	2	108.4669	19.705	8	109.5887	13.774	15
786	951	999	0:SP3_SP-NON_SP3	B[5]	H	N[5]	4:4:1:1:	4:	3:4:4:4:	P[5]-4:N[5]-4:Br-1:H-1:	B[5]-4:	C[5,6a]-3:B[5]-4:C-4:C-4:	B[5](P[5]C[5,6a]C[6a]2)(N[5]C[5,6a]CC)(Br)(H)	H(B[5]N[5]P[5]Br)	N[5](C[5,6a]C[5,6a]C[6a])(B[5]P[5]BrH)(CH3)2	B[5](P[5]C[5,6a]C[6a]2)(N[5]C[5,6a]CC)(Br)(H){6|C<3>}	H(B[5]N[5]P[5]Br)	N[5](C[5,6a]C[5,6a]C[6a])(B[5]P[5]BrH)(CH3)2{1|H<1>,4|C<3>}	108.7150	0.000	1	108.7150	0.000	1	108.7150	0.000	1	111.7697	28.333	3	108.4669	19.705	8	109.5887	13.774	15
786	951	999	0:SP3_SP-NON_SP3	B[5]	H	N[5]	4:4:1:1:	4:	3:4:4:4:	P[5]-4:N[5]-4:H-1:H-1:	B[5]-4:	C[5,6a]-3:B[5]-4:C-4:C-4:	B[5](P[5]C[5,6a]C[6a]2)(N[5]C[5,6a]CC)(H)2	H(B[5]N[5]P[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(B[5]P[5]HH)(CH3)2	B[5](P[5]C[5,6a]C[6a]2)(N[5]C[5,6a]CC)(H)2{6|C<3>}	H(B[5]N[5]P[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(B[5]P[5]HH)(CH3)2{1|H<1>,4|C<3>}	113.2970	6.532	2	113.2970	42.670	2	113.2970	42.670	2	111.7697	28.333	3	108.4669	19.705	8	109.5887	13.774	15
786	955	955	5:SP3_SP3_SP3	B[5]	P[5]	P[5]	4:4:1:1:	3:4:4:4:	3:4:4:4:	P[5]-4:P[5]-4:Br-1:Br-1:	C[5,6a]-3:B[5]-4:C-4:C-4:	C[5,6a]-3:B[5]-4:C-4:C-4:	B[5](P[5]C[5,6a]CC)2(Br)2	P[5](C[5,6a]C[5,6a]C[6a])(B[5]P[5]Br2)(CH3)2	P[5](C[5,6a]C[5,6a]C[6a])(B[5]P[5]Br2)(CH3)2	B[5](P[5]C[5,6a]CC)2(Br)2{2|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])(B[5]P[5]Br2)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	P[5](C[5,6a]C[5,6a]C[6a])(B[5]P[5]Br2)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	101.1020	0.000	1	101.1020	0.000	1	101.1020	0.000	1	100.1346	0.742	3	100.6681	0.653	6	100.6681	0.653	6
786	955	955	5:SP3_SP3_SP3	B[5]	P[5]	P[5]	4:4:1:1:	3:4:4:4:	3:4:4:4:	P[5]-4:P[5]-4:Cl-1:Cl-1:	C[5,6a]-3:B[5]-4:C-4:C-4:	C[5,6a]-3:B[5]-4:C-4:C-4:	B[5](P[5]C[5,6a]CC)2(Cl)2	P[5](C[5,6a]C[5,6a]C[6a])(B[5]P[5]Cl2)(CH3)2	P[5](C[5,6a]C[5,6a]C[6a])(B[5]P[5]Cl2)(CH3)2	B[5](P[5]C[5,6a]CC)2(Cl)2{2|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])(B[5]P[5]Cl2)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	P[5](C[5,6a]C[5,6a]C[6a])(B[5]P[5]Cl2)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	99.8522	0.000	1	99.8522	0.000	1	99.8522	0.000	1	100.1346	0.742	3	100.6681	0.653	6	100.6681	0.653	6
786	955	955	5:SP3_SP3_SP3	B[5]	P[5]	P[5]	4:4:1:1:	3:4:4:4:	3:4:4:4:	P[5]-4:P[5]-4:I-1:I-1:	C[5,6a]-3:B[5]-4:C-4:C-4:	C[5,6a]-3:B[5]-4:C-4:C-4:	B[5](P[5]C[5,6a]CC)2(I)2	P[5](C[5,6a]C[5,6a]C[6a])(B[5]P[5]II)(CH3)2	P[5](C[5,6a]C[5,6a]C[6a])(B[5]P[5]II)(CH3)2	B[5](P[5]C[5,6a]CC)2(I)2{2|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])(B[5]P[5]II)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	P[5](C[5,6a]C[5,6a]C[6a])(B[5]P[5]II)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	99.4495	0.000	1	99.4495	0.000	1	99.4495	0.000	1	100.1346	0.742	3	100.6681	0.653	6	100.6681	0.653	6
786	955	955	5:SP3_SP3_SP3	B[5]	P[5]	P[5]	4:4:1:1:	4:4:4:4:	4:4:4:4:	P[5]-4:P[5]-4:Br-1:H-1:	B[5]-4:C[5]-4:C[6]-4:C[6]-4:	B[5]-4:C[5]-4:C[6]-4:C[6]-4:	B[5](P[5]C[5]C[6]2)2(Br)(H)	P[5](B[5]P[5]BrH)(C[5]C[5]HH)(C[6]C[6]2H)2	P[5](B[5]P[5]BrH)(C[5]C[5]HH)(C[6]C[6]2H)2	B[5](P[5]C[5]C[6]2)2(Br)(H){8|C<4>,8|H<1>}	P[5](B[5]P[5]BrH)(C[5]C[5]HH)(C[6]C[6]2H)2{10|H<1>,6|C<4>}	P[5](B[5]P[5]BrH)(C[5]C[5]HH)(C[6]C[6]2H)2{10|H<1>,6|C<4>}	101.1880	0.264	2	101.1880	0.070	2	101.1880	0.070	2	101.2017	0.036	3	100.6681	0.653	6	100.6681	0.653	6
786	955	955	5:SP3_SP3_SP3	B[5]	P[5]	P[5]	4:4:1:1:	4:4:4:4:	4:4:4:4:	P[5]-4:P[5]-4:H-1:H-1:	B[5]-4:C[5]-4:C[6]-4:C[6]-4:	B[5]-4:C[5]-4:C[6]-4:C[6]-4:	B[5](P[5]C[5]C[6]2)2(H)2	P[5](B[5]P[5]HH)(C[5]C[5]HH)(C[6]C[6]2H)2	P[5](B[5]P[5]HH)(C[5]C[5]HH)(C[6]C[6]2H)2	B[5](P[5]C[5]C[6]2)2(H)2{8|C<4>,8|H<1>}	P[5](B[5]P[5]HH)(C[5]C[5]HH)(C[6]C[6]2H)2{10|H<1>,6|C<4>}	P[5](B[5]P[5]HH)(C[5]C[5]HH)(C[6]C[6]2H)2{10|H<1>,6|C<4>}	101.2290	0.000	1	101.2290	0.000	1	101.2290	0.000	1	101.2017	0.036	3	100.6681	0.653	6	100.6681	0.653	6
786	955	956	0:SP3_SP2_SP3	B[5]	P[5]	N	3:4:3:1:	3:4:4:4:	4:4:4:	C[5,6a]-3:P[5]-4:N-3:H-1:	C[5,6a]-3:B[5]-4:C-4:C-4:	B[5]-4:S-4:S-4:	B[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]CC)(NSS)(H)	P[5](C[5,6a]C[5,6a,6a]C[6a])(B[5]C[5,6a]HN)(CCCH)2	N(B[5]C[5,6a]P[5]H)(SCOO)2	B[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]CC)(NSS)(H){1|H<1>,3|C<3>}	P[5](C[5,6a]C[5,6a,6a]C[6a])(B[5]C[5,6a]HN)(CCCH)2{1|H<1>,3|C<3>}	N(B[5]C[5,6a]P[5]H)(SCOO)2	114.4760	0.000	1	114.4760	0.000	1	114.4760	0.000	1	114.4760	0.000	1	114.4760	0.000	1	114.4760	0.000	1
786	955	976	5:SP3_SP3_SP3	B[5]	P[5]	O[5]	3:3:4:2:	4:4:4:4:	4:4:	C[6a]-3:C[6a]-3:P[5]-4:O[5]-2:	B[5]-4:C[5]-4:C-4:C-4:	B[5]-4:C[5]-4:	B[5](C[6a]C[6a]2)2(P[5]C[5]CC)(O[5]C[5])	P[5](B[5]C[6a]2O[5])(C[5]C[5]HH)(CC3)2	O[5](B[5]C[6a]2P[5])(C[5]C[5]CC)	B[5](C[6a]C[6a]2)2(P[5]C[5]CC)(O[5]C[5]){2|C<4>,2|H<1>,4|C<3>,4|F<1>}	P[5](B[5]C[6a]2O[5])(C[5]C[5]HH)(CC3)2{2|C<4>,4|C<3>}	O[5](B[5]C[6a]2P[5])(C[5]C[5]CC){2|C<4>,2|H<1>,4|C<3>}	95.0932	0.000	1	95.0932	0.000	1	95.0932	0.000	1	95.0932	0.000	1	95.0932	0.000	1	95.0932	0.000	1
786	955	999	5:SP3_SP3_SP3	B[5]	P[5]	N[5]	4:4:1:1:	3:3:3:4:	3:4:4:4:	P[5]-4:N[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[6a]-3:B[5]-4:	C[5,6a]-3:B[5]-4:C-4:C-4:	B[5](P[5]C[5,6a]C[6a]2)(N[5]C[5,6a]CC)(H)2	P[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(B[5]N[5]HH)	N[5](C[5,6a]C[5,6a]C[6a])(B[5]P[5]HH)(CH3)2	B[5](P[5]C[5,6a]C[6a]2)(N[5]C[5,6a]CC)(H)2{6|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(B[5]N[5]HH){2|C<4>,5|H<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(B[5]P[5]HH)(CH3)2{1|H<1>,4|C<3>}	101.0900	0.000	1	101.0900	0.000	1	101.0900	0.000	1	101.0900	0.000	1	100.7055	0.296	2	100.7055	0.296	2
786	955	999	5:SP3_SP3_SP3	B[5]	P[5]	N[5]	4:4:1:1:	3:4:3:3:	3:4:4:4:	P[5]-4:N[5]-4:Br-1:H-1:	C[5,6a]-3:B[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:B[5]-4:C-4:C-4:	B[5](P[5]C[5,6a]C[6a]2)(N[5]C[5,6a]CC)(Br)(H)	P[5](C[5,6a]C[5,6a]C[6a])(B[5]N[5]BrH)(C[6a]C[6a]2)2	N[5](C[5,6a]C[5,6a]C[6a])(B[5]P[5]BrH)(CH3)2	B[5](P[5]C[5,6a]C[6a]2)(N[5]C[5,6a]CC)(Br)(H){6|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])(B[5]N[5]BrH)(C[6a]C[6a]2)2{2|C<4>,5|H<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(B[5]P[5]BrH)(CH3)2{1|H<1>,4|C<3>}	100.3210	0.000	1	100.3210	0.000	1	100.3210	0.000	1	100.3210	0.000	1	100.7055	0.296	2	100.7055	0.296	2
786	976	976	0:SP3_SP2_SP2	B[5,5]	O[5]	O[5]	2:2:2:2:	4:3:	4:3:	O[5]-2:O[5]-2:O[5]-2:O[5]-2:	B[5,5]-4:C[5]-3:	B[5,5]-4:C[5]-3:	B[5,5](O[5]C[5])4	O[5](B[5,5]O[5]3)(C[5]C[5]O)	O[5](B[5,5]O[5]3)(C[5]C[5]O)	B[5,5](O[5]C[5])4{1|P<4>,1|P<5>,2|C<4>,2|O<1>}	O[5](B[5,5]O[5]3)(C[5]C[5]O){1|C<3>,1|P<4>,2|C<4>}	O[5](B[5,5]O[5]3)(C[5]C[5]O){1|C<3>,1|P<5>,2|C<4>}	106.3640	0.000	1	108.0311	1.031	16	108.0311	1.031	16	108.0311	1.031	16	110.1376	2.985	75	110.1376	2.985	75
786	976	976	0:SP3_SP2_SP2	B[5,5]	O[5]	O[5]	2:2:2:2:	4:3:	4:3:	O[5]-2:O[5]-2:O[5]-2:O[5]-2:	B[5,5]-4:C[5]-3:	B[5,5]-4:C[5]-3:	B[5,5](O[5]C[5])4	O[5](B[5,5]O[5]3)(C[5]C[5]O)	O[5](B[5,5]O[5]3)(C[5]C[5]O)	B[5,5](O[5]C[5])4{2|C<3>,2|H<1>,2|O<1>}	O[5](B[5,5]O[5]3)(C[5]C[5]O){1|C<4>,1|H<1>,2|C<3>}	O[5](B[5,5]O[5]3)(C[5]C[5]O){1|C<4>,1|H<1>,2|C<3>}	107.8513	0.829	11	108.0311	1.031	16	108.0311	1.031	16	108.0311	1.031	16	110.1376	2.985	75	110.1376	2.985	75
786	976	976	0:SP3_SP2_SP2	B[5,5]	O[5]	O[5]	2:2:2:2:	4:3:	4:3:	O[5]-2:O[5]-2:O[5]-2:O[5]-2:	B[5,5]-4:C[5]-3:	B[5,5]-4:C[5]-3:	B[5,5](O[5]C[5])4	O[5](B[5,5]O[5]3)(C[5]C[5]O)	O[5](B[5,5]O[5]3)(C[5]C[5]O)	B[5,5](O[5]C[5])4{2|C<4>,2|H<1>,2|O<1>}	O[5](B[5,5]O[5]3)(C[5]C[5]O){1|C<3>,1|H<1>,2|C<4>}	O[5](B[5,5]O[5]3)(C[5]C[5]O){1|C<3>,1|H<1>,2|C<4>}	108.7703	0.944	3	108.0311	1.031	16	108.0311	1.031	16	108.0311	1.031	16	110.1376	2.985	75	110.1376	2.985	75
786	976	976	0:SP3_SP2_SP2	B[5,5]	O[5]	O[5]	2:2:2:2:	4:3:	4:3:	O[5]-2:O[5]-2:O[5]-2:O[5]-2:	B[5,5]-4:C[5]-3:	B[5,5]-4:C[5]-3:	B[5,5](O[5]C[5])4	O[5](B[5,5]O[5]3)(C[5]C[5]O)	O[5](B[5,5]O[5]3)(C[5]C[5]O)	B[5,5](O[5]C[5])4{2|O<1>,4|C<4>}	O[5](B[5,5]O[5]3)(C[5]C[5]O){1|C<3>,3|C<4>}	O[5](B[5,5]O[5]3)(C[5]C[5]O){1|C<3>,3|C<4>}	109.4590	0.000	1	108.0311	1.031	16	108.0311	1.031	16	108.0311	1.031	16	110.1376	2.985	75	110.1376	2.985	75
786	976	976	0:SP3_SP2_SP2	B[5,5]	O[5]	O[5]	3:3:2:2:	3:4:	3:4:	O[5]-3:O[5]-3:O[5]-2:O[5]-2:	C[5,6a]-3:B[5,5]-4:	C[5,6a]-3:B[5,5]-4:	B[5,5](O[5]C[5,6a]Li)2(O[5]C[5,6a])2	O[5](C[5,6a]C[5,6a]C[6a])(B[5,5]O[5]3)	O[5](C[5,6a]C[5,6a]C[6a])(B[5,5]O[5]3)	B[5,5](O[5]C[5,6a]Li)2(O[5]C[5,6a])2{4|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(B[5,5]O[5]3){2|Li<4>,1|H<1>,4|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(B[5,5]O[5]3){2|Li<4>,1|H<1>,4|C<3>}	111.0040	0.000	1	111.0040	0.000	1	111.0040	0.000	1	111.0040	0.000	1	110.1376	2.985	75	110.1376	2.985	75
786	976	976	0:SP3_SP2_SP2	B[5,5]	O[5]	O[5]	3:4:2:2:	4:3:	4:3:	C[5a]-3:N[5,5]-4:O[5]-2:O[5]-2:	B[5,5]-4:C[5]-3:	B[5,5]-4:C[5]-3:	B[5,5](C[5a]C[5a,6a]C[5a])(N[5,5]C[5]2C)(O[5]C[5])2	O[5](B[5,5]N[5,5]C[5a]O[5])(C[5]C[5]O)	O[5](B[5,5]N[5,5]C[5a]O[5])(C[5]C[5]O)	B[5,5](C[5a]C[5a,6a]C[5a])(N[5,5]C[5]2C)(O[5]C[5])2{1|O<2>,2|O<1>,3|C<3>,4|H<1>}	O[5](B[5,5]N[5,5]C[5a]O[5])(C[5]C[5]O){2|C<4>,2|H<1>,3|C<3>}	O[5](B[5,5]N[5,5]C[5a]O[5])(C[5]C[5]O){2|C<4>,2|H<1>,3|C<3>}	109.5070	0.000	1	109.5070	0.000	1	111.6301	1.830	9	111.7441	1.557	11	110.1376	2.985	75	110.1376	2.985	75
786	976	976	0:SP3_SP2_SP2	B[5,5]	O[5]	O[5]	3:4:2:2:	4:3:	4:3:	C[5a]-3:N[5,5]-4:O[5]-2:O[5]-2:	B[5,5]-4:C[5]-3:	B[5,5]-4:C[5]-3:	B[5,5](C[5a]C[5a]N[5a])(N[5,5]C[5]2C)(O[5]C[5])2	O[5](B[5,5]N[5,5]C[5a]O[5])(C[5]C[5]O)	O[5](B[5,5]N[5,5]C[5a]O[5])(C[5]C[5]O)	B[5,5](C[5a]C[5a]N[5a])(N[5,5]C[5]2C)(O[5]C[5])2{1|C<3>,1|N<3>,2|O<1>,5|H<1>}	O[5](B[5,5]N[5,5]C[5a]O[5])(C[5]C[5]O){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	O[5](B[5,5]N[5,5]C[5a]O[5])(C[5]C[5]O){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	112.9590	0.000	1	111.5860	1.445	3	111.6301	1.830	9	111.7441	1.557	11	110.1376	2.985	75	110.1376	2.985	75
786	976	976	0:SP3_SP2_SP2	B[5,5]	O[5]	O[5]	3:4:2:2:	4:3:	4:3:	C[5a]-3:N[5,5]-4:O[5]-2:O[5]-2:	B[5,5]-4:C[5]-3:	B[5,5]-4:C[5]-3:	B[5,5](C[5a]C[5a]N[5a])(N[5,5]C[5]2C)(O[5]C[5])2	O[5](B[5,5]N[5,5]C[5a]O[5])(C[5]C[5]O)	O[5](B[5,5]N[5,5]C[5a]O[5])(C[5]C[5]O)	B[5,5](C[5a]C[5a]N[5a])(N[5,5]C[5]2C)(O[5]C[5])2{1|C<3>,1|S<2>,2|O<1>,5|H<1>}	O[5](B[5,5]N[5,5]C[5a]O[5])(C[5]C[5]O){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	O[5](B[5,5]N[5,5]C[5a]O[5])(C[5]C[5]O){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	110.8995	0.251	2	111.5860	1.445	3	111.6301	1.830	9	111.7441	1.557	11	110.1376	2.985	75	110.1376	2.985	75
786	976	976	0:SP3_SP2_SP2	B[5,5]	O[5]	O[5]	3:4:2:2:	4:3:	4:3:	C[5a]-3:N[5,5]-4:O[5]-2:O[5]-2:	B[5,5]-4:C[5]-3:	B[5,5]-4:C[5]-3:	B[5,5](C[5a]C[5a]S[5a])(N[5,5]C[5]2C)(O[5]C[5])2	O[5](B[5,5]N[5,5]C[5a]O[5])(C[5]C[5]O)	O[5](B[5,5]N[5,5]C[5a]O[5])(C[5]C[5]O)	B[5,5](C[5a]C[5a]S[5a])(N[5,5]C[5]2C)(O[5]C[5])2{1|C<3>,1|N<2>,2|O<1>,5|H<1>}	O[5](B[5,5]N[5,5]C[5a]O[5])(C[5]C[5]O){1|S<2>,2|C<3>,2|C<4>,2|H<1>}	O[5](B[5,5]N[5,5]C[5a]O[5])(C[5]C[5]O){1|S<2>,2|C<3>,2|C<4>,2|H<1>}	113.9730	0.000	1	112.0812	1.555	5	111.6301	1.830	9	111.7441	1.557	11	110.1376	2.985	75	110.1376	2.985	75
786	976	976	0:SP3_SP2_SP2	B[5,5]	O[5]	O[5]	3:4:2:2:	4:3:	4:3:	C[5a]-3:N[5,5]-4:O[5]-2:O[5]-2:	B[5,5]-4:C[5]-3:	B[5,5]-4:C[5]-3:	B[5,5](C[5a]C[5a]S[5a])(N[5,5]C[5]2C)(O[5]C[5])2	O[5](B[5,5]N[5,5]C[5a]O[5])(C[5]C[5]O)	O[5](B[5,5]N[5,5]C[5a]O[5])(C[5]C[5]O)	B[5,5](C[5a]C[5a]S[5a])(N[5,5]C[5]2C)(O[5]C[5])2{1|C<4>,2|C<3>,2|O<1>,4|H<1>}	O[5](B[5,5]N[5,5]C[5a]O[5])(C[5]C[5]O){1|S<2>,2|C<3>,2|C<4>,2|H<1>}	O[5](B[5,5]N[5,5]C[5a]O[5])(C[5]C[5]O){1|S<2>,2|C<3>,2|C<4>,2|H<1>}	111.1240	0.856	2	112.0812	1.555	5	111.6301	1.830	9	111.7441	1.557	11	110.1376	2.985	75	110.1376	2.985	75
786	976	976	0:SP3_SP2_SP2	B[5,5]	O[5]	O[5]	3:4:2:2:	4:3:	4:3:	C[5a]-3:N[5,5]-4:O[5]-2:O[5]-2:	B[5,5]-4:C[5]-3:	B[5,5]-4:C[5]-3:	B[5,5](C[5a]C[5a]S[5a])(N[5,5]C[5]2C)(O[5]C[5])2	O[5](B[5,5]N[5,5]C[5a]O[5])(C[5]C[5]O)	O[5](B[5,5]N[5,5]C[5a]O[5])(C[5]C[5]O)	B[5,5](C[5a]C[5a]S[5a])(N[5,5]C[5]2C)(O[5]C[5])2{2|C<3>,2|O<1>,5|H<1>}	O[5](B[5,5]N[5,5]C[5a]O[5])(C[5]C[5]O){1|S<2>,2|C<3>,2|C<4>,2|H<1>}	O[5](B[5,5]N[5,5]C[5a]O[5])(C[5]C[5]O){1|S<2>,2|C<3>,2|C<4>,2|H<1>}	112.0925	0.276	2	112.0812	1.555	5	111.6301	1.830	9	111.7441	1.557	11	110.1376	2.985	75	110.1376	2.985	75
786	976	976	0:SP3_SP2_SP2	B[5,5]	O[5]	O[5]	3:4:2:2:	4:3:	4:3:	C[6a]-3:N[5,5]-4:O[5]-2:O[5]-2:	B[5,5]-4:C[5]-3:	B[5,5]-4:C[5]-3:	B[5,5](C[6a]C[6a]N[6a])(N[5,5]C[5]2C)(O[5]C[5])2	O[5](B[5,5]N[5,5]C[6a]O[5])(C[5]C[5]O)	O[5](B[5,5]N[5,5]C[6a]O[5])(C[5]C[5]O)	B[5,5](C[6a]C[6a]N[6a])(N[5,5]C[5]2C)(O[5]C[5])2{1|C<3>,1|N<2>,2|O<1>,5|H<1>}	O[5](B[5,5]N[5,5]C[6a]O[5])(C[5]C[5]O){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	O[5](B[5,5]N[5,5]C[6a]O[5])(C[5]C[5]O){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	112.6370	0.000	1	112.2570	0.289	2	112.2570	0.289	2	111.7441	1.557	11	110.1376	2.985	75	110.1376	2.985	75
786	976	976	0:SP3_SP2_SP2	B[5,5]	O[5]	O[5]	3:4:2:2:	4:3:	4:3:	C[6a]-3:N[5,5]-4:O[5]-2:O[5]-2:	B[5,5]-4:C[5]-3:	B[5,5]-4:C[5]-3:	B[5,5](C[6a]C[6a]N[6a])(N[5,5]C[5]2C)(O[5]C[5])2	O[5](B[5,5]N[5,5]C[6a]O[5])(C[5]C[5]O)	O[5](B[5,5]N[5,5]C[6a]O[5])(C[5]C[5]O)	B[5,5](C[6a]C[6a]N[6a])(N[5,5]C[5]2C)(O[5]C[5])2{2|C<3>,2|O<1>,5|H<1>}	O[5](B[5,5]N[5,5]C[6a]O[5])(C[5]C[5]O){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	O[5](B[5,5]N[5,5]C[6a]O[5])(C[5]C[5]O){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	111.8770	0.000	1	112.2570	0.289	2	112.2570	0.289	2	111.7441	1.557	11	110.1376	2.985	75	110.1376	2.985	75
786	976	976	0:SP3_SP2_SP2	B[5,5]	O[5]	O[5]	4:2:2:2:	4:3:	4:3:	N[5,5]-4:O[5]-2:O[5]-2:C-2:	B[5,5]-4:C[5]-3:	B[5,5]-4:C[5]-3:	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CC)	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]O)	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]O)	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CC){2|O<1>,4|H<1>}	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]O){1|C<3>,2|C<4>,2|H<1>}	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]O){1|C<3>,2|C<4>,2|H<1>}	108.9692	0.996	5	108.9692	0.991	5	108.9692	0.991	5	110.0393	4.003	7	110.1376	2.985	75	110.1376	2.985	75
786	976	976	0:SP3_SP2_SP2	B[5,5]	O[5]	O[5]	4:2:2:2:	4:3:	4:3:	N[5,5]-4:O[5]-2:O[5]-2:O-2:	B[5,5]-4:C[5]-3:	B[5,5]-4:C[5]-3:	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(OC)	O[5](B[5,5]N[5,5]O[5]O)(C[5]C[5]O)	O[5](B[5,5]N[5,5]O[5]O)(C[5]C[5]O)	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(OC){2|O<1>,4|H<1>}	O[5](B[5,5]N[5,5]O[5]O)(C[5]C[5]O){1|C<3>,2|C<4>,2|H<1>}	O[5](B[5,5]N[5,5]O[5]O)(C[5]C[5]O){1|C<3>,2|C<4>,2|H<1>}	112.7145	0.114	2	112.7145	0.013	2	112.7145	0.013	2	110.0393	4.003	7	110.1376	2.985	75	110.1376	2.985	75
786	976	976	0:SP3_SP2_SP2	B[5,5]	O[5]	O[5]	4:2:2:3:	4:3:	4:3:	N[5,5]-4:O[5]-2:O[5]-2:C-3:	B[5,5]-4:C[5]-3:	B[5,5]-4:C[5]-3:	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CCC)	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]O)	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]O)	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CCC){2|O<1>,4|H<1>}	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]O){1|C<3>,2|C<4>,2|H<1>}	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]O){1|C<3>,2|C<4>,2|H<1>}	110.6500	0.000	1	110.6500	0.000	1	110.8592	2.648	12	110.8592	2.648	12	110.1376	2.985	75	110.1376	2.985	75
786	976	976	0:SP3_SP2_SP2	B[5,5]	O[5]	O[5]	4:2:2:3:	4:3:	4:3:	N[5,5]-4:O[5]-2:O[5]-2:C-3:	B[5,5]-4:C[5]-3:	B[5,5]-4:C[5]-3:	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CCH)	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]O)	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]O)	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CCH){2|O<1>,4|H<1>}	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]O){1|C<3>,2|C<4>,2|H<1>}	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]O){1|C<3>,2|C<4>,2|H<1>}	110.3183	1.911	3	110.3183	3.653	3	110.8592	2.648	12	110.8592	2.648	12	110.1376	2.985	75	110.1376	2.985	75
786	976	976	0:SP3_SP2_SP2	B[5,5]	O[5]	O[5]	4:2:2:3:	4:3:	4:3:	N[5,5]-4:O[5]-2:O[5]-2:C-3:	B[5,5]-4:C[5]-3:	B[5,5]-4:C[5]-3:	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CCI)	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]O)	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]O)	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CCI){2|O<1>,4|H<1>}	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]O){1|C<3>,2|C<4>,2|H<1>}	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]O){1|C<3>,2|C<4>,2|H<1>}	110.8020	0.040	2	110.8020	0.002	2	110.8592	2.648	12	110.8592	2.648	12	110.1376	2.985	75	110.1376	2.985	75
786	976	976	0:SP3_SP2_SP2	B[5,5]	O[5]	O[5]	4:2:2:3:	4:3:	4:3:	N[5,5]-4:O[5]-2:O[5]-2:C-3:	B[5,5]-4:C[5]-3:	B[5,5]-4:C[5]-3:	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CCO)	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]O)	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]O)	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CCO){2|O<1>,4|H<1>}	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]O){1|C<3>,2|C<4>,2|H<1>}	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]O){1|C<3>,2|C<4>,2|H<1>}	112.5207	0.349	3	112.5207	0.122	3	110.8592	2.648	12	110.8592	2.648	12	110.1376	2.985	75	110.1376	2.985	75
786	976	976	0:SP3_SP2_SP2	B[5,5]	O[5]	O[5]	4:2:2:3:	4:3:	4:3:	N[5,5]-4:O[5]-2:O[5]-2:C-3:	B[5,5]-4:C[5]-3:	B[5,5]-4:C[5]-3:	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CC[5]H)	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]O)	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]O)	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CC[5]H){2|O<1>,4|H<1>}	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]O){1|C<3>,2|C<4>,2|H<1>}	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]O){1|C<3>,2|C<4>,2|H<1>}	109.4470	0.000	1	109.4470	0.000	1	110.8592	2.648	12	110.8592	2.648	12	110.1376	2.985	75	110.1376	2.985	75
786	976	976	0:SP3_SP2_SP2	B[5,5]	O[5]	O[5]	4:2:2:3:	4:3:	4:3:	N[5,5]-4:O[5]-2:O[5]-2:C-3:	B[5,5]-4:C[5]-3:	B[5,5]-4:C[5]-3:	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CC[6a]C)	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]O)	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]O)	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CC[6a]C){2|O<1>,4|H<1>}	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]O){1|C<3>,2|C<4>,2|H<1>}	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]O){1|C<3>,2|C<4>,2|H<1>}	112.1740	0.000	1	112.1740	0.000	1	110.8592	2.648	12	110.8592	2.648	12	110.1376	2.985	75	110.1376	2.985	75
786	976	976	0:SP3_SP2_SP2	B[5,5]	O[5]	O[5]	4:2:2:3:	4:3:	4:3:	N[5,5]-4:O[5]-2:O[5]-2:C-3:	B[5,5]-4:C[5]-3:	B[5,5]-4:C[5]-3:	B[5,5](N[5,5]C[6,6]C[5]2)(O[5]C[5])2(CCH)	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]O)	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]O)	B[5,5](N[5,5]C[6,6]C[5]2)(O[5]C[5])2(CCH){2|C<4>,2|O<1>,5|H<1>}	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]O){1|C<3>,2|C<4>,2|H<1>}	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]O){1|C<3>,2|C<4>,2|H<1>}	107.9190	0.000	1	107.9190	0.000	1	110.8592	2.648	12	110.8592	2.648	12	110.1376	2.985	75	110.1376	2.985	75
786	976	976	0:SP3_SP2_SP2	B[5,5]	O[5]	O[5]	4:2:2:4:	4:3:	4:3:	N[5,5]-4:O[5]-2:O[5]-2:C-4:	B[5,5]-4:C[5]-3:	B[5,5]-4:C[5]-3:	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CBrCH)	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]O)	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]O)	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CBrCH){2|O<1>,4|H<1>}	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]O){1|C<3>,2|C<4>,2|H<1>}	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]O){1|C<3>,2|C<4>,2|H<1>}	111.1180	0.000	1	111.1180	0.000	1	110.4382	0.543	6	110.4382	0.543	6	110.1376	2.985	75	110.1376	2.985	75
786	976	976	0:SP3_SP2_SP2	B[5,5]	O[5]	O[5]	4:2:2:4:	4:3:	4:3:	N[5,5]-4:O[5]-2:O[5]-2:C-4:	B[5,5]-4:C[5]-3:	B[5,5]-4:C[5]-3:	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CCHI)	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]O)	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]O)	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CCHI){2|O<1>,4|H<1>}	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]O){1|C<3>,2|C<4>,2|H<1>}	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]O){1|C<3>,2|C<4>,2|H<1>}	109.8497	0.560	3	109.8497	0.313	3	110.4382	0.543	6	110.4382	0.543	6	110.1376	2.985	75	110.1376	2.985	75
786	976	976	0:SP3_SP2_SP2	B[5,5]	O[5]	O[5]	4:2:2:4:	4:3:	4:3:	N[5,5]-4:O[5]-2:O[5]-2:C-4:	B[5,5]-4:C[5]-3:	B[5,5]-4:C[5]-3:	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CC[6]CH)	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]O)	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]O)	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CC[6]CH){2|O<1>,4|H<1>}	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]O){1|C<3>,2|C<4>,2|H<1>}	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]O){1|C<3>,2|C<4>,2|H<1>}	110.9870	0.000	1	110.9870	0.000	1	110.4382	0.543	6	110.4382	0.543	6	110.1376	2.985	75	110.1376	2.985	75
786	976	976	0:SP3_SP2_SP2	B[5,5]	O[5]	O[5]	4:2:2:4:	4:3:	4:3:	N[5,5]-4:O[5]-2:O[5]-2:C-4:	B[5,5]-4:C[5]-3:	B[5,5]-4:C[5]-3:	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CHHN)	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]O)	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]O)	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CHHN){2|O<1>,4|H<1>}	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]O){1|C<3>,2|C<4>,2|H<1>}	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]O){1|C<3>,2|C<4>,2|H<1>}	110.9750	0.000	1	110.9750	0.000	1	110.4382	0.543	6	110.4382	0.543	6	110.1376	2.985	75	110.1376	2.985	75
786	976	976	0:SP3_SP2_SP2	B[5,5]	O[5]	O[5]	4:3:2:2:	4:3:	4:3:	N[5,5]-4:C[6a]-3:O[5]-2:O[5]-2:	B[5,5]-4:C[5]-3:	B[5,5]-4:C[5]-3:	B[5,5](N[5,5]C[5]2C)(C[6a]C[6a]2)(O[5]C[5])2	O[5](B[5,5]N[5,5]C[6a]O[5])(C[5]C[5]O)	O[5](B[5,5]N[5,5]C[6a]O[5])(C[5]C[5]O)	B[5,5](N[5,5]C[5]2C)(C[6a]C[6a]2)(O[5]C[5])2{1|Br<1>,2|C<3>,2|O<1>,5|H<1>}	O[5](B[5,5]N[5,5]C[6a]O[5])(C[5]C[5]O){2|C<4>,2|H<1>,3|C<3>}	O[5](B[5,5]N[5,5]C[6a]O[5])(C[5]C[5]O){2|C<4>,2|H<1>,3|C<3>}	110.5440	0.000	1	110.7402	0.530	9	110.7402	0.530	9	110.7402	0.530	9	110.1376	2.985	75	110.1376	2.985	75
786	976	976	0:SP3_SP2_SP2	B[5,5]	O[5]	O[5]	4:3:2:2:	4:3:	4:3:	N[5,5]-4:C[6a]-3:O[5]-2:O[5]-2:	B[5,5]-4:C[5]-3:	B[5,5]-4:C[5]-3:	B[5,5](N[5,5]C[5]2C)(C[6a]C[6a]2)(O[5]C[5])2	O[5](B[5,5]N[5,5]C[6a]O[5])(C[5]C[5]O)	O[5](B[5,5]N[5,5]C[6a]O[5])(C[5]C[5]O)	B[5,5](N[5,5]C[5]2C)(C[6a]C[6a]2)(O[5]C[5])2{1|C<3>,1|C<4>,1|N<2>,2|O<1>,5|H<1>}	O[5](B[5,5]N[5,5]C[6a]O[5])(C[5]C[5]O){2|C<4>,2|H<1>,3|C<3>}	O[5](B[5,5]N[5,5]C[6a]O[5])(C[5]C[5]O){2|C<4>,2|H<1>,3|C<3>}	110.2010	0.000	1	110.7402	0.530	9	110.7402	0.530	9	110.7402	0.530	9	110.1376	2.985	75	110.1376	2.985	75
786	976	976	0:SP3_SP2_SP2	B[5,5]	O[5]	O[5]	4:3:2:2:	4:3:	4:3:	N[5,5]-4:C[6a]-3:O[5]-2:O[5]-2:	B[5,5]-4:C[5]-3:	B[5,5]-4:C[5]-3:	B[5,5](N[5,5]C[5]2C)(C[6a]C[6a]2)(O[5]C[5])2	O[5](B[5,5]N[5,5]C[6a]O[5])(C[5]C[5]O)	O[5](B[5,5]N[5,5]C[6a]O[5])(C[5]C[5]O)	B[5,5](N[5,5]C[5]2C)(C[6a]C[6a]2)(O[5]C[5])2{1|F<1>,2|C<3>,2|O<1>,5|H<1>}	O[5](B[5,5]N[5,5]C[6a]O[5])(C[5]C[5]O){2|C<4>,2|H<1>,3|C<3>}	O[5](B[5,5]N[5,5]C[6a]O[5])(C[5]C[5]O){2|C<4>,2|H<1>,3|C<3>}	111.9110	0.000	1	110.7402	0.530	9	110.7402	0.530	9	110.7402	0.530	9	110.1376	2.985	75	110.1376	2.985	75
786	976	976	0:SP3_SP2_SP2	B[5,5]	O[5]	O[5]	4:3:2:2:	4:3:	4:3:	N[5,5]-4:C[6a]-3:O[5]-2:O[5]-2:	B[5,5]-4:C[5]-3:	B[5,5]-4:C[5]-3:	B[5,5](N[5,5]C[5]2C)(C[6a]C[6a]2)(O[5]C[5])2	O[5](B[5,5]N[5,5]C[6a]O[5])(C[5]C[5]O)	O[5](B[5,5]N[5,5]C[6a]O[5])(C[5]C[5]O)	B[5,5](N[5,5]C[5]2C)(C[6a]C[6a]2)(O[5]C[5])2{2|C<3>,2|O<1>,6|H<1>}	O[5](B[5,5]N[5,5]C[6a]O[5])(C[5]C[5]O){2|C<4>,2|H<1>,3|C<3>}	O[5](B[5,5]N[5,5]C[6a]O[5])(C[5]C[5]O){2|C<4>,2|H<1>,3|C<3>}	110.6677	0.709	6	110.7402	0.530	9	110.7402	0.530	9	110.7402	0.530	9	110.1376	2.985	75	110.1376	2.985	75
786	976	976	0:SP3_SP2_SP2	B[5,5]	O[5]	O[5]	4:4:2:2:	4:3:	4:3:	C[5]-4:N[5,5]-4:O[5]-2:O[5]-2:	B[5,5]-4:C[5]-3:	B[5,5]-4:C[5]-3:	B[5,5](C[5]C[5]O[5]H)(N[5,5]C[5]2C)(O[5]C[5])2	O[5](B[5,5]N[5,5]C[5]O[5])(C[5]C[5]O)	O[5](B[5,5]N[5,5]C[5]O[5])(C[5]C[5]O)	B[5,5](C[5]C[5]O[5]H)(N[5,5]C[5]2C)(O[5]C[5])2{2|C<4>,2|O<1>,6|H<1>}	O[5](B[5,5]N[5,5]C[5]O[5])(C[5]C[5]O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	O[5](B[5,5]N[5,5]C[5]O[5])(C[5]C[5]O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	111.2800	0.498	3	111.2800	0.248	3	111.2800	0.248	3	110.1353	1.626	13	110.1376	2.985	75	110.1376	2.985	75
786	976	976	0:SP3_SP2_SP2	B[5,5]	O[5]	O[5]	4:4:2:2:	4:3:	4:3:	C[6]-4:N[5,5]-4:O[5]-2:O[5]-2:	B[5,5]-4:C[5]-3:	B[5,5]-4:C[5]-3:	B[5,5](C[6]C[6]O[6]H)(N[5,5]C[5]2C)(O[5]C[5])2	O[5](B[5,5]N[5,5]C[6]O[5])(C[5]C[5]O)	O[5](B[5,5]N[5,5]C[6]O[5])(C[5]C[5]O)	B[5,5](C[6]C[6]O[6]H)(N[5,5]C[5]2C)(O[5]C[5])2{2|C<4>,2|O<1>,6|H<1>}	O[5](B[5,5]N[5,5]C[6]O[5])(C[5]C[5]O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	O[5](B[5,5]N[5,5]C[6]O[5])(C[5]C[5]O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	110.6140	0.000	1	110.6140	0.000	1	110.6140	0.000	1	110.1353	1.626	13	110.1376	2.985	75	110.1376	2.985	75
786	976	976	0:SP3_SP2_SP2	B[5,5]	O[5]	O[5]	4:4:2:2:	4:3:	4:3:	N[5,5]-4:C-4:O[5]-2:O[5]-2:	B[5,5]-4:C[5]-3:	B[5,5]-4:C[5]-3:	B[5,5](N[5,5]C[5]2C)(CN[5a]HH)(O[5]C[5])2	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]O)	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]O)	B[5,5](N[5,5]C[5]2C)(CN[5a]HH)(O[5]C[5])2{2|O<1>,4|H<1>}	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]O){1|C<3>,2|C<4>,2|H<1>}	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]O){1|C<3>,2|C<4>,2|H<1>}	111.1700	1.293	2	111.1700	1.671	2	111.1700	1.671	2	110.1353	1.626	13	110.1376	2.985	75	110.1376	2.985	75
786	976	976	0:SP3_SP2_SP2	B[5,5]	O[5]	O[5]	4:4:2:2:	4:3:	4:3:	N[5,5]-4:C[3]-4:O[5]-2:O[5]-2:	B[5,5]-4:C[5]-3:	B[5,5]-4:C[5]-3:	B[5,5](N[5,5]C[5]2C)(C[3]C[3]2H)(O[5]C[5])2	O[5](B[5,5]N[5,5]C[3]O[5])(C[5]C[5]O)	O[5](B[5,5]N[5,5]C[3]O[5])(C[5]C[5]O)	B[5,5](N[5,5]C[5]2C)(C[3]C[3]2H)(O[5]C[5])2{1|C<4>,2|O<1>,7|H<1>}	O[5](B[5,5]N[5,5]C[3]O[5])(C[5]C[5]O){1|C<3>,3|H<1>,4|C<4>}	O[5](B[5,5]N[5,5]C[3]O[5])(C[5]C[5]O){1|C<3>,3|H<1>,4|C<4>}	109.8603	0.850	4	109.8603	0.722	4	109.2807	0.989	7	110.1353	1.626	13	110.1376	2.985	75	110.1376	2.985	75
786	976	976	0:SP3_SP2_SP2	B[5,5]	O[5]	O[5]	4:4:2:2:	4:3:	4:3:	N[5,5]-4:C[3]-4:O[5]-2:O[5]-2:	B[5,5]-4:C[5]-3:	B[5,5]-4:C[5]-3:	B[5,5](N[5,5]C[6,6]C[5]2)(C[3]C[3]O[3]H)(O[5]C[5])2	O[5](B[5,5]N[5,5]C[3]O[5])(C[5]C[5]O)	O[5](B[5,5]N[5,5]C[3]O[5])(C[5]C[5]O)	B[5,5](N[5,5]C[6,6]C[5]2)(C[3]C[3]O[3]H)(O[5]C[5])2{1|C<3>,2|C<4>,2|O<1>,6|H<1>}	O[5](B[5,5]N[5,5]C[3]O[5])(C[5]C[5]O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	O[5](B[5,5]N[5,5]C[3]O[5])(C[5]C[5]O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	108.8750	0.000	1	108.5080	0.317	3	109.2807	0.989	7	110.1353	1.626	13	110.1376	2.985	75	110.1376	2.985	75
786	976	976	0:SP3_SP2_SP2	B[5,5]	O[5]	O[5]	4:4:2:2:	4:3:	4:3:	N[5,5]-4:C[3]-4:O[5]-2:O[5]-2:	B[5,5]-4:C[5]-3:	B[5,5]-4:C[5]-3:	B[5,5](N[5,5]C[6,6]C[5]2)(C[3]C[3]O[3]H)(O[5]C[5])2	O[5](B[5,5]N[5,5]C[3]O[5])(C[5]C[5]O)	O[5](B[5,5]N[5,5]C[3]O[5])(C[5]C[5]O)	B[5,5](N[5,5]C[6,6]C[5]2)(C[3]C[3]O[3]H)(O[5]C[5])2{2|C<4>,2|O<1>,7|H<1>}	O[5](B[5,5]N[5,5]C[3]O[5])(C[5]C[5]O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	O[5](B[5,5]N[5,5]C[3]O[5])(C[5]C[5]O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	107.8600	0.000	1	108.5080	0.317	3	109.2807	0.989	7	110.1353	1.626	13	110.1376	2.985	75	110.1376	2.985	75
786	976	976	0:SP3_SP2_SP2	B[5,5]	O[5]	O[5]	4:4:2:2:	4:3:	4:3:	N[5,5]-4:C[3]-4:O[5]-2:O[5]-2:	B[5,5]-4:C[5]-3:	B[5,5]-4:C[5]-3:	B[5,5](N[5,5]C[6,6]C[5]2)(C[3]C[3]O[3]H)(O[5]C[5])2	O[5](B[5,5]N[5,5]C[3]O[5])(C[5]C[5]O)	O[5](B[5,5]N[5,5]C[3]O[5])(C[5]C[5]O)	B[5,5](N[5,5]C[6,6]C[5]2)(C[3]C[3]O[3]H)(O[5]C[5])2{2|O<1>,3|C<4>,6|H<1>}	O[5](B[5,5]N[5,5]C[3]O[5])(C[5]C[5]O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	O[5](B[5,5]N[5,5]C[3]O[5])(C[5]C[5]O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	108.7890	0.000	1	108.5080	0.317	3	109.2807	0.989	7	110.1353	1.626	13	110.1376	2.985	75	110.1376	2.985	75
786	976	976	0:SP3_SP2_SP3	B[5,5]	O[5]	O[5]	2:2:2:2:	4:4:	4:3:	O[5]-2:O[5]-2:O[5]-2:O[5]-2:	B[5,5]-4:C[5]-4:	B[5,5]-4:C[5]-3:	B[5,5](O[5]C[5])4	O[5](B[5,5]O[5]3)(C[5]C[5]CC)	O[5](B[5,5]O[5]3)(C[5]C[5]O)	B[5,5](O[5]C[5])4{2|O<1>,4|C<4>}	O[5](B[5,5]O[5]3)(C[5]C[5]CC){1|C<3>,1|C<4>,1|O<1>}	O[5](B[5,5]O[5]3)(C[5]C[5]O){1|C<3>,3|C<4>}	113.1760	0.752	2	113.1760	0.566	2	111.9115	4.349	11	112.6459	2.394	34	111.1449	7.802	48	111.1449	7.802	48
786	976	976	0:SP3_SP2_SP3	B[5,5]	O[5]	O[5]	2:2:2:2:	4:4:	4:3:	O[5]-2:O[5]-2:O[5]-2:O[5]-2:	B[5,5]-4:C[5]-4:	B[5,5]-4:C[5]-3:	B[5,5](O[5]C[5])4	O[5](B[5,5]O[5]3)(C[5]C[5]CC)	O[5](B[5,5]O[5]3)(C[5]C[5]Rh)	B[5,5](O[5]C[5])4{1|Rh<4>,1|C<3>,5|C<4>}	O[5](B[5,5]O[5]3)(C[5]C[5]CC){1|C<3>,3|C<4>}	O[5](B[5,5]O[5]3)(C[5]C[5]Rh){1|C<3>,3|C<4>}	108.2070	0.800	2	108.2070	0.641	2	111.9115	4.349	11	112.6459	2.394	34	111.1449	7.802	48	111.1449	7.802	48
786	976	976	0:SP3_SP2_SP3	B[5,5]	O[5]	O[5]	2:2:2:2:	4:4:	4:3:	O[5]-2:O[5]-2:O[5]-2:O[5]-2:	B[5,5]-4:C[5]-4:	B[5,5]-4:C[5]-3:	B[5,5](O[5]C[5])4	O[5](B[5,5]O[5]3)(C[5]C[5]CH)	O[5](B[5,5]O[5]3)(C[5]C[5]O)	B[5,5](O[5]C[5])4{2|C<4>,2|H<1>,2|O<1>}	O[5](B[5,5]O[5]3)(C[5]C[5]CH){1|C<3>,1|C<4>,1|O<1>}	O[5](B[5,5]O[5]3)(C[5]C[5]O){1|C<3>,1|H<1>,2|C<4>}	112.4693	1.218	6	112.4693	1.483	6	111.9115	4.349	11	112.6459	2.394	34	111.1449	7.802	48	111.1449	7.802	48
786	976	976	0:SP3_SP2_SP3	B[5,5]	O[5]	O[5]	2:2:2:2:	4:4:	4:3:	O[5]-2:O[5]-2:O[5]-2:O[5]-2:	B[5,5]-4:C[5]-4:	B[5,5]-4:C[5]-3:	B[5,5](O[5]C[5])4	O[5](B[5,5]O[5]3)(C[5]C[5]CP)	O[5](B[5,5]O[5]3)(C[5]C[5]O)	B[5,5](O[5]C[5])4{1|P<4>,1|P<5>,2|C<4>,2|O<1>}	O[5](B[5,5]O[5]3)(C[5]C[5]CP){1|C<3>,1|C<4>,1|O<1>}	O[5](B[5,5]O[5]3)(C[5]C[5]O){1|C<3>,1|P<5>,2|C<4>}	113.4450	0.000	1	113.4450	0.000	1	111.9115	4.349	11	112.6459	2.394	34	111.1449	7.802	48	111.1449	7.802	48
786	976	976	0:SP3_SP2_SP3	B[5,5]	O[5]	O[5]	2:2:2:2:	4:4:	4:3:	O[5]-2:O[5]-2:O[5]-2:O[5]-2:	C[5]-4:B[5,5]-4:	B[5,5]-4:C[5]-3:	B[5,5](O[5]C[5])4	O[5](C[5]C[5]P[3]C)(B[5,5]O[5]3)	O[5](B[5,5]O[5]3)(C[5]C[5]O)	B[5,5](O[5]C[5])4{1|P<4>,1|P<5>,2|C<4>,2|O<1>}	O[5](C[5]C[5]P[3]C)(B[5,5]O[5]3){1|C<3>,1|C<4>,1|H<2>,1|O<2>,3|O<1>}	O[5](B[5,5]O[5]3)(C[5]C[5]O){1|C<3>,1|P<4>,2|C<4>}	113.5130	0.000	1	113.5130	0.000	1	112.9970	1.215	23	112.6459	2.394	34	111.1449	7.802	48	111.1449	7.802	48
786	976	976	0:SP3_SP2_SP3	B[5,5]	O[5]	O[5]	2:2:2:2:	4:4:	4:3:	O[5]-2:O[5]-2:O[5]-2:O[5]-2:	C[5]-4:B[5,5]-4:	B[5,5]-4:C[5]-3:	B[5,5](O[5]C[5])4	O[5](C[5]C[6a]C[5]H)(B[5,5]O[5]3)	O[5](B[5,5]O[5]3)(C[5]C[5]O)	B[5,5](O[5]C[5])4{2|C<3>,2|H<1>,2|O<1>}	O[5](C[5]C[6a]C[5]H)(B[5,5]O[5]3){1|C<4>,1|O<1>,3|C<3>}	O[5](B[5,5]O[5]3)(C[5]C[5]O){1|C<4>,1|H<1>,2|C<3>}	112.9736	1.122	22	112.9736	1.260	22	112.9970	1.215	23	112.6459	2.394	34	111.1449	7.802	48	111.1449	7.802	48
786	976	976	0:SP3_SP2_SP3	B[5,5]	O[5]	O[5]	3:2:2:2:	4:4:	4:3:	C[5]-3:O[5]-2:O[5]-2:O[5]-2:	B[5,5]-4:C[5]-4:	B[5,5]-4:C[5]-3:	B[5,5](C[5]C[6a]C[5])(O[5]C[5])3	O[5](B[5,5]C[5]O[5]2)(C[5]C[5]CC)	O[5](B[5,5]C[5]O[5]2)(C[5]C[5]N)	B[5,5](C[5]C[6a]C[5])(O[5]C[5])3{1|N<3>,3|C<3>,4|C<4>}	O[5](B[5,5]C[5]O[5]2)(C[5]C[5]CC){2|C<4>,3|C<3>}	O[5](B[5,5]C[5]O[5]2)(C[5]C[5]N){2|C<3>,2|C<4>}	107.1640	2.082	2	107.1640	4.334	2	107.1640	4.334	2	107.1640	4.334	2	111.1449	7.802	48	111.1449	7.802	48
786	976	976	0:SP3_SP2_SP3	B[5,5]	O[5]	O[5]	4:2:2:2:	4:4:	4:3:	C[5,5,6]-4:O[5]-2:O[5]-2:O[5]-2:	B[5,5]-4:C[5]-4:	B[5,5]-4:C[5]-3:	B[5,5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])3	O[5](B[5,5]C[5,5,6]O[5]2)(C[5]C[5]CC)	O[5](B[5,5]C[5,5,6]O[5]2)(C[5]C[5,5,6]N)	B[5,5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])3{1|N<3>,2|H<1>,7|C<4>}	O[5](B[5,5]C[5,5,6]O[5]2)(C[5]C[5]CC){1|C<3>,1|H<1>,4|C<4>}	O[5](B[5,5]C[5,5,6]O[5]2)(C[5]C[5,5,6]N){2|H<1>,4|C<4>}	106.1735	1.460	2	106.1735	2.132	2	106.1735	2.132	2	107.5557	1.863	12	111.1449	7.802	48	111.1449	7.802	48
786	976	976	0:SP3_SP2_SP3	B[5,5]	O[5]	O[5]	4:2:2:2:	4:4:	4:3:	C[5]-4:O[5]-2:O[5]-2:O[5]-2:	B[5,5]-4:C[5]-4:	B[5,5]-4:C[5]-3:	B[5,5](C[5]N[5]CH)(O[5]C[5])3	O[5](B[5,5]C[5]O[5]2)(C[5]C[5]CC)	O[5](B[5,5]C[5]O[5]2)(C[5]C[6a]N[5])	B[5,5](C[5]N[5]CH)(O[5]C[5])3{1|C<3>,5|C<4>}	O[5](B[5,5]C[5]O[5]2)(C[5]C[5]CC){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	O[5](B[5,5]C[5]O[5]2)(C[5]C[6a]N[5]){1|H<1>,2|C<3>,4|C<4>}	107.3205	2.625	2	107.3205	6.893	2	107.8814	1.873	8	107.5557	1.863	12	111.1449	7.802	48	111.1449	7.802	48
786	976	976	0:SP3_SP2_SP3	B[5,5]	O[5]	O[5]	4:2:2:2:	4:4:	4:3:	C[5]-4:O[5]-2:O[5]-2:O[5]-2:	B[5,5]-4:C[5]-4:	B[5,5]-4:C[5]-3:	B[5,5](C[5]O[5]CH)(O[5]C[5])3	O[5](B[5,5]C[5]O[5]2)(C[5]C[5]CC)	O[5](B[5,5]C[5]O[5]2)(C[5]O[5]N)	B[5,5](C[5]O[5]CH)(O[5]C[5])3{1|N<3>,4|C<4>}	O[5](B[5,5]C[5]O[5]2)(C[5]C[5]CC){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	O[5](B[5,5]C[5]O[5]2)(C[5]O[5]N){1|H<1>,3|C<4>}	108.5192	0.164	4	108.5192	0.027	4	107.8814	1.873	8	107.5557	1.863	12	111.1449	7.802	48	111.1449	7.802	48
786	976	976	0:SP3_SP2_SP3	B[5,5]	O[5]	O[5]	4:2:2:2:	4:4:	4:3:	C[5]-4:O[5]-2:O[5]-2:O[5]-2:	B[5,5]-4:C[5]-4:	B[5,5]-4:C[5]-3:	B[5,5](C[5]O[5]SnH)(O[5]C[5])3	O[5](B[5,5]C[5]O[5]2)(C[5]C[5]C[6]H)	O[5](B[5,5]C[5]O[5]2)(C[5]N[6]O[5])	B[5,5](C[5]O[5]SnH)(O[5]C[5])3{1|N<3>,2|C<4>,2|H<1>}	O[5](B[5,5]C[5]O[5]2)(C[5]C[5]C[6]H){1|Sn<4>,1|C<3>,1|O<2>,3|C<4>,3|H<1>}	O[5](B[5,5]C[5]O[5]2)(C[5]N[6]O[5]){1|Sn<4>,1|H<1>,4|C<4>}	107.1665	1.691	2	107.1665	2.858	2	107.8814	1.873	8	107.5557	1.863	12	111.1449	7.802	48	111.1449	7.802	48
786	976	976	0:SP3_SP2_SP3	B[5,5]	O[5]	O[5]	4:2:2:2:	4:4:	4:3:	C[5]-4:O[5]-2:O[5]-2:O[5]-2:	C[5,6,6]-4:B[5,5]-4:	B[5,5]-4:C[5]-3:	B[5,5](C[5]C[6a]N[5]H)(O[5]C[5,6,6])2(O[5]C[5])	O[5](C[5,6,6]C[4,6,6]C[5,6,6]C)(B[5,5]C[5]O[5]2)	O[5](B[5,5]C[5]O[5]2)(C[5]N[5]C)	B[5,5](C[5]C[6a]N[5]H)(O[5]C[5,6,6])2(O[5]C[5]){2|C<3>,2|H<1>,4|C<4>}	O[5](C[5,6,6]C[4,6,6]C[5,6,6]C)(B[5,5]C[5]O[5]2){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	O[5](B[5,5]C[5]O[5]2)(C[5]N[5]C){1|C<3>,2|C<4>,2|H<1>}	108.1670	0.000	1	108.1670	0.000	1	107.6350	0.566	2	107.5557	1.863	12	111.1449	7.802	48	111.1449	7.802	48
786	976	976	0:SP3_SP2_SP3	B[5,5]	O[5]	O[5]	4:2:2:2:	4:4:	4:3:	C[5]-4:O[5]-2:O[5]-2:O[5]-2:	C[5,6,6]-4:B[5,5]-4:	B[5,5]-4:C[5]-3:	B[5,5](C[5]C[6a]N[5]H)(O[5]C[5,6,6])2(O[5]C[5])	O[5](C[5,6,6]C[5,6,6]C[6,6]H)(B[5,5]C[5]O[5]2)	O[5](B[5,5]C[5]O[5]2)(C[5]N[5]C)	B[5,5](C[5]C[6a]N[5]H)(O[5]C[5,6,6])2(O[5]C[5]){2|C<3>,2|H<1>,4|C<4>}	O[5](C[5,6,6]C[5,6,6]C[6,6]H)(B[5,5]C[5]O[5]2){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	O[5](B[5,5]C[5]O[5]2)(C[5]N[5]C){1|C<3>,2|C<4>,2|H<1>}	107.1030	0.000	1	107.1030	0.000	1	107.6350	0.566	2	107.5557	1.863	12	111.1449	7.802	48	111.1449	7.802	48
786	976	976	0:SP3_SP3_SP3	B[3x5]	O[5]	O[5]	4:2:2:2:	4:4:	4:4:	N[3x5]-4:O[5]-2:O[5]-2:O[5]-2:	B[3x5]-4:C[5]-4:	B[3x5]-4:C[5]-4:	B[3x5](N[3x5]C[5]3)(O[5]C[5])3	O[5](B[3x5]N[3x5]O[5]2)(C[5]C[5]HH)	O[5](B[3x5]N[3x5]O[5]2)(C[5]C[5]HH)	B[3x5](N[3x5]C[5]3)(O[5]C[5])3{12|H<1>}	O[5](B[3x5]N[3x5]O[5]2)(C[5]C[5]HH){2|H<1>,4|C<4>}	O[5](B[3x5]N[3x5]O[5]2)(C[5]C[5]HH){2|H<1>,4|C<4>}	115.0017	0.367	3	115.0017	0.134	3	115.0017	0.134	3	115.0017	0.134	3	115.0017	0.134	3	113.7313	3.553	63
786	976	976	0:SP3_SP3_SP3	B[5,5]	O[5]	O[5]	2:2:2:2:	4:4:	4:4:	O[5]-2:O[5]-2:O[5]-2:O[5]-2:	B[5,5]-4:C[5]-4:	B[5,5]-4:C[5]-4:	B[5,5](O[5]C[5])4	O[5](B[5,5]O[5]3)(C[5]C[5]CC)	O[5](B[5,5]O[5]3)(C[5]C[5]CC)	B[5,5](O[5]C[5])4{2|O<1>,4|C<4>}	O[5](B[5,5]O[5]3)(C[5]C[5]CC){1|C<3>,1|C<4>,1|O<1>}	O[5](B[5,5]O[5]3)(C[5]C[5]CC){1|C<3>,1|C<4>,1|O<1>}	112.7670	0.000	1	112.7670	0.000	1	112.3419	1.156	16	113.3396	2.853	30	113.6678	3.643	60	113.7313	3.553	63
786	976	976	0:SP3_SP3_SP3	B[5,5]	O[5]	O[5]	2:2:2:2:	4:4:	4:4:	O[5]-2:O[5]-2:O[5]-2:O[5]-2:	B[5,5]-4:C[5]-4:	B[5,5]-4:C[5]-4:	B[5,5](O[5]C[5])4	O[5](B[5,5]O[5]3)(C[5]C[5]CH)	O[5](B[5,5]O[5]3)(C[5]C[5]CH)	B[5,5](O[5]C[5])4{2|C<4>,2|H<1>,2|O<1>}	O[5](B[5,5]O[5]3)(C[5]C[5]CH){1|C<3>,1|C<4>,1|O<1>}	O[5](B[5,5]O[5]3)(C[5]C[5]CH){1|C<3>,1|C<4>,1|O<1>}	113.3850	1.200	3	112.3136	1.224	15	112.3419	1.156	16	113.3396	2.853	30	113.6678	3.643	60	113.7313	3.553	63
786	976	976	0:SP3_SP3_SP3	B[5,5]	O[5]	O[5]	2:2:2:2:	4:4:	4:4:	O[5]-2:O[5]-2:O[5]-2:O[5]-2:	B[5,5]-4:C[5]-4:	B[5,5]-4:C[5]-4:	B[5,5](O[5]C[5])4	O[5](B[5,5]O[5]3)(C[5]C[5]CH)	O[5](B[5,5]O[5]3)(C[5]C[5]CH)	B[5,5](O[5]C[5])4{4|C<3>,4|H<1>}	O[5](B[5,5]O[5]3)(C[5]C[5]CH){1|C<3>,1|H<1>,2|C<4>}	O[5](B[5,5]O[5]3)(C[5]C[5]CH){1|C<3>,1|H<1>,2|C<4>}	112.0457	0.951	12	112.3136	1.224	15	112.3419	1.156	16	113.3396	2.853	30	113.6678	3.643	60	113.7313	3.553	63
786	976	976	0:SP3_SP3_SP3	B[5,5]	O[5]	O[5]	2:2:2:2:	4:4:	4:4:	O[5]-2:O[5]-2:O[5]-2:O[5]-2:	C[5]-4:B[5,5]-4:	B[5,5]-4:C[5]-4:	B[5,5](O[5]C[5])4	O[5](C[5]C[5]P[3]C)(B[5,5]O[5]3)	O[5](B[5,5]O[5]3)(C[5]C[5]CP)	B[5,5](O[5]C[5])4{1|P<4>,1|P<5>,2|C<4>,2|O<1>}	O[5](C[5]C[5]P[3]C)(B[5,5]O[5]3){1|C<3>,1|C<4>,1|H<2>,1|O<2>,3|O<1>}	O[5](B[5,5]O[5]3)(C[5]C[5]CP){1|C<3>,1|C<4>,1|O<1>}	114.5540	0.000	1	114.5540	0.000	1	115.6587	4.745	3	113.3396	2.853	30	113.6678	3.643	60	113.7313	3.553	63
786	976	976	0:SP3_SP3_SP3	B[5,5]	O[5]	O[5]	2:2:2:2:	4:4:	4:4:	O[5]-2:O[5]-2:O[5]-2:O[5]-2:	C[5]-4:B[5,5]-4:	B[5,5]-4:C[5]-4:	B[5,5](O[5]C[5])4	O[5](C[5]C[6a]C[5]C)(B[5,5]O[5]3)	O[5](B[5,5]O[5]3)(C[5]C[5]CC)	B[5,5](O[5]C[5])4{1|Rh<4>,1|C<3>,5|C<4>}	O[5](C[5]C[6a]C[5]C)(B[5,5]O[5]3){1|Rh<4>,2|C<3>,2|C<4>}	O[5](B[5,5]O[5]3)(C[5]C[5]CC){1|C<3>,3|C<4>}	116.2110	2.768	2	116.2110	7.660	2	115.6587	4.745	3	113.3396	2.853	30	113.6678	3.643	60	113.7313	3.553	63
786	976	976	0:SP3_SP3_SP3	B[5,5]	O[5]	O[5]	2:2:2:2:	4:4:	4:4:	O[5]-2:O[5]-2:O[5]-2:O[5]-2:	C[5]-4:B[5,5]-4:	C[5]-4:B[5,5]-4:	B[5,5](O[5]C[5])4	O[5](C[5]C[6a]C[5]H)(B[5,5]O[5]3)	O[5](C[5]C[6a]C[5]H)(B[5,5]O[5]3)	B[5,5](O[5]C[5])4{2|C<3>,2|H<1>,2|O<1>}	O[5](C[5]C[6a]C[5]H)(B[5,5]O[5]3){1|C<4>,1|O<1>,3|C<3>}	O[5](C[5]C[6a]C[5]H)(B[5,5]O[5]3){1|C<4>,1|O<1>,3|C<3>}	114.1584	1.284	11	114.1584	1.649	11	114.1584	1.649	11	113.3396	2.853	30	113.6678	3.643	60	113.7313	3.553	63
786	976	976	0:SP3_SP3_SP3	B[5,5]	O[5]	O[5]	3:2:2:2:	4:4:	4:4:	N[5,6]-3:O[5]-2:O[5]-2:O[5]-2:	B[5,5]-4:C[5]-4:	B[5,5]-4:C[5]-4:	B[5,5](N[5,6]C[5,6]C[6])(O[5]C[5])3	O[5](B[5,5]N[5,6]O[5]2)(C[5]C[5,6]CH)	O[5](B[5,5]N[5,6]O[5]2)(C[5]C[5]CC)	B[5,5](N[5,6]C[5,6]C[6])(O[5]C[5])3{2|C<3>,2|H<1>,5|C<4>}	O[5](B[5,5]N[5,6]O[5]2)(C[5]C[5,6]CH){2|C<3>,2|C<4>}	O[5](B[5,5]N[5,6]O[5]2)(C[5]C[5]CC){2|C<3>,3|C<4>}	114.9534	1.749	8	114.9534	3.057	8	114.9534	3.057	8	114.9534	3.057	8	113.6678	3.643	60	113.7313	3.553	63
786	976	976	0:SP3_SP3_SP3	B[5,5]	O[5]	O[5]	3:3:2:2:	4:4:	4:4:	C[5,6a]-3:C[5,6a]-3:O[5]-2:O[5]-2:	B[5,5]-4:Si[5]-4:	B[5,5]-4:Si[5]-4:	B[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]Si[5])2	O[5](B[5,5]C[5,6a]2O[5])(Si[5]C[5,6a]CC)	O[5](B[5,5]C[5,6a]2O[5])(Si[5]C[5,6a]CC)	B[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]Si[5])2{2|H<1>,4|C<3>,4|C<4>}	O[5](B[5,5]C[5,6a]2O[5])(Si[5]C[5,6a]CC){1|Si<4>,4|C<3>}	O[5](B[5,5]C[5,6a]2O[5])(Si[5]C[5,6a]CC){1|Si<4>,4|C<3>}	107.6650	0.000	1	107.6650	0.000	1	107.6650	0.000	1	107.6650	0.000	1	113.6678	3.643	60	113.7313	3.553	63
786	976	976	0:SP3_SP3_SP3	B[5,5]	O[5]	O[5]	3:4:2:2:	4:4:	4:4:	C[5,6a]-3:N[5]-4:O[5]-2:O[5]-2:	B[5,5]-4:C[5]-4:	B[5,5]-4:Si[5]-4:	B[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(O[5]Si[5])(O[5]C[5])	O[5](B[5,5]C[5,6a]N[5]O[5])(C[5]C[5]HH)	O[5](B[5,5]C[5,6a]N[5]O[5])(Si[5]C[5,6a]CC)	B[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(O[5]Si[5])(O[5]C[5]){2|C<3>,2|C<4>,5|H<1>}	O[5](B[5,5]C[5,6a]N[5]O[5])(C[5]C[5]HH){1|Si<4>,2|C<3>,2|C<4>,2|H<1>}	O[5](B[5,5]C[5,6a]N[5]O[5])(Si[5]C[5,6a]CC){2|C<3>,4|C<4>}	114.5590	0.465	2	114.5590	0.216	2	114.5590	0.216	2	114.7333	0.199	3	113.6678	3.643	60	113.7313	3.553	63
786	976	976	0:SP3_SP3_SP3	B[5,5]	O[5]	O[5]	3:4:2:2:	4:4:	4:4:	C[6a]-3:N[5,5]-4:O[5]-2:O[5]-2:	B[5,5]-4:C[5]-4:	B[5,5]-4:C[5]-4:	B[5,5](C[6a]C[6a]N[6a])(N[5,5]C[5]2C)(O[5]C[5])2	O[5](B[5,5]N[5,5]C[6a]O[5])(C[5]C[5]HH)	O[5](B[5,5]N[5,5]C[6a]O[5])(C[5]C[5]HH)	B[5,5](C[6a]C[6a]N[6a])(N[5,5]C[5]2C)(O[5]C[5])2{2|C<3>,9|H<1>}	O[5](B[5,5]N[5,5]C[6a]O[5])(C[5]C[5]HH){1|C<3>,1|N<2>,2|H<1>,3|C<4>}	O[5](B[5,5]N[5,5]C[6a]O[5])(C[5]C[5]HH){1|C<3>,1|N<2>,2|H<1>,3|C<4>}	115.0820	0.000	1	115.0820	0.000	1	115.0820	0.000	1	114.7333	0.199	3	113.6678	3.643	60	113.7313	3.553	63
786	976	976	0:SP3_SP3_SP3	B[5,5]	O[5]	O[5]	4:2:2:2:	4:4:	4:4:	N[5]-4:O[5]-2:O[5]-2:O[5]-2:	B[5,5]-4:C[5]-4:	B[5,5]-4:C[5]-4:	B[5,5](N[5]C[5]CC)(O[5]C[5])3	O[5](B[5,5]N[5]O[5]2)(C[5]C[6a]C[5]H)	O[5](B[5,5]N[5]O[5]2)(C[5]C[5]CH)	B[5,5](N[5]C[5]CC)(O[5]C[5])3{1|C<4>,2|C<3>,5|H<1>}	O[5](B[5,5]N[5]O[5]2)(C[5]C[6a]C[5]H){1|H<1>,3|C<3>,4|C<4>}	O[5](B[5,5]N[5]O[5]2)(C[5]C[5]CH){2|H<1>,4|C<4>}	115.0070	2.920	2	115.0070	8.528	2	115.0070	8.528	2	115.0070	8.528	2	113.6678	3.643	60	113.7313	3.553	63
786	976	976	0:SP3_SP3_SP3	B[5,5]	O[5]	O[5]	4:2:2:3:	4:4:	4:4:	N[5,5]-4:O[5]-2:O[5]-2:C-3:	B[5,5]-4:C[5]-4:	B[5,5]-4:C[5]-4:	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CCC)	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[6a]C[5]H)	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[6a]C[5]H)	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CCC){2|C<3>,6|H<1>}	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[6a]C[5]H){2|C<3>,2|H<1>,3|C<4>}	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[6a]C[5]H){2|C<3>,2|H<1>,3|C<4>}	113.5110	0.503	4	113.5110	0.254	4	113.4502	0.165	6	113.4502	0.165	6	113.6678	3.643	60	113.7313	3.553	63
786	976	976	0:SP3_SP3_SP3	B[5,5]	O[5]	O[5]	4:2:2:3:	4:4:	4:4:	N[5,5]-4:O[5]-2:O[5]-2:C-3:	B[5,5]-4:C[5]-4:	B[5,5]-4:C[5]-4:	B[5,5](N[5,5]C[5]2H)(O[5]C[5])2(CCH)	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]HH)	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]HH)	B[5,5](N[5,5]C[5]2H)(O[5]C[5])2(CCH){8|H<1>}	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]HH){2|C<4>,3|H<1>}	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]HH){2|C<4>,3|H<1>}	113.3285	0.138	2	113.3285	0.019	2	113.4502	0.165	6	113.4502	0.165	6	113.6678	3.643	60	113.7313	3.553	63
786	976	976	0:SP3_SP3_SP3	B[5,5]	O[5]	O[5]	4:2:2:4:	4:4:	4:4:	N[5,5]-4:O[5]-2:O[5]-2:C-4:	B[5,5]-4:C[5]-4:	B[5,5]-4:C[5]-4:	B[5,5](N[5,5]C[5]2H)(O[5]C[5])2(CCHH)	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]HH)	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]HH)	B[5,5](N[5,5]C[5]2H)(O[5]C[5])2(CCHH){8|H<1>}	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]HH){2|C<4>,3|H<1>}	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]HH){2|C<4>,3|H<1>}	111.8965	0.848	2	111.8965	0.719	2	111.8965	0.719	2	111.8965	0.719	2	113.6678	3.643	60	113.7313	3.553	63
786	976	976	0:SP3_SP3_SP3	B[5,5]	O[5]	O[5]	4:3:2:2:	4:4:	4:4:	N[5,5]-4:B[5]-3:O[5]-2:O[5]-2:	B[5,5]-4:C[5]-4:	B[5,5]-4:C[5]-4:	B[5,5](N[5,5]C[5]2H)(B[5]O[5]2)(O[5]C[5])2	O[5](B[5,5]N[5,5]B[5]O[5])(C[5]C[5]CH)	O[5](B[5,5]N[5,5]B[5]O[5])(C[5]C[5]CH)	B[5,5](N[5,5]C[5]2H)(B[5]O[5]2)(O[5]C[5])2{4|C<4>,6|H<1>}	O[5](B[5,5]N[5,5]B[5]O[5])(C[5]C[5]CH){2|C<4>,2|O<2>,3|H<1>}	O[5](B[5,5]N[5,5]B[5]O[5])(C[5]C[5]CH){2|C<4>,2|O<2>,3|H<1>}	112.0400	0.000	1	112.0400	0.000	1	112.0400	0.000	1	114.5749	4.203	7	113.6678	3.643	60	113.7313	3.553	63
786	976	976	0:SP3_SP3_SP3	B[5,5]	O[5]	O[5]	4:3:2:2:	4:4:	4:4:	N[5,5]-4:C[5a]-3:O[5]-2:O[5]-2:	B[5,5]-4:C[5]-4:	B[5,5]-4:C[5]-4:	B[5,5](N[5,5]C[5]2C)(C[5a]C[5a]2)(O[5]C[5])2	O[5](B[5,5]N[5,5]C[5a]O[5])(C[5]C[5]HH)	O[5](B[5,5]N[5,5]C[5a]O[5])(C[5]C[5]HH)	B[5,5](N[5,5]C[5]2C)(C[5a]C[5a]2)(O[5]C[5])2{1|Si<4>,1|C<3>,1|S<2>,9|H<1>}	O[5](B[5,5]N[5,5]C[5a]O[5])(C[5]C[5]HH){2|C<3>,2|H<1>,3|C<4>}	O[5](B[5,5]N[5,5]C[5a]O[5])(C[5]C[5]HH){2|C<3>,2|H<1>,3|C<4>}	115.3310	0.000	1	115.3310	0.000	1	115.3310	0.000	1	114.5749	4.203	7	113.6678	3.643	60	113.7313	3.553	63
786	976	976	0:SP3_SP3_SP3	B[5,5]	O[5]	O[5]	4:3:2:2:	4:4:	4:4:	N[5,5]-4:C[6a]-3:O[5]-2:O[5]-2:	B[5,5]-4:C[5]-4:	B[5,5]-4:C[5]-4:	B[5,5](N[5,5]C[5]2C)(C[6a]C[6a]2)(O[5]C[5])2	O[5](B[5,5]N[5,5]C[6a]O[5])(C[5]C[5]HH)	O[5](B[5,5]N[5,5]C[6a]O[5])(C[5]C[5]HH)	B[5,5](N[5,5]C[5]2C)(C[6a]C[6a]2)(O[5]C[5])2{10|H<1>,2|C<3>}	O[5](B[5,5]N[5,5]C[6a]O[5])(C[5]C[5]HH){2|C<3>,2|H<1>,3|C<4>}	O[5](B[5,5]N[5,5]C[6a]O[5])(C[5]C[5]HH){2|C<3>,2|H<1>,3|C<4>}	116.2843	1.230	3	116.2843	1.514	3	114.9306	4.398	5	114.5749	4.203	7	113.6678	3.643	60	113.7313	3.553	63
786	976	976	0:SP3_SP3_SP3	B[5,5]	O[5]	O[5]	4:3:2:2:	4:4:	4:4:	N[5,5]-4:C[6a]-3:O[5]-2:O[5]-2:	B[5,5]-4:C[5]-4:	B[5,5]-4:C[5]-4:	B[5,5](N[5,5]C[5]2H)(C[6a]C[6a]2)(O[5]C[5])2	O[5](B[5,5]N[5,5]C[6a]O[5])(C[5]C[5]HH)	O[5](B[5,5]N[5,5]C[6a]O[5])(C[5]C[5]HH)	B[5,5](N[5,5]C[5]2H)(C[6a]C[6a]2)(O[5]C[5])2{10|H<1>,2|C<3>}	O[5](B[5,5]N[5,5]C[6a]O[5])(C[5]C[5]HH){2|C<3>,2|C<4>,3|H<1>}	O[5](B[5,5]N[5,5]C[6a]O[5])(C[5]C[5]HH){2|C<3>,2|C<4>,3|H<1>}	112.9000	0.905	2	112.9000	0.819	2	114.9306	4.398	5	114.5749	4.203	7	113.6678	3.643	60	113.7313	3.553	63
786	976	976	0:SP3_SP3_SP3	B[5,5]	O[5]	O[5]	4:4:2:2:	4:4:	4:4:	N[5,5]-4:N[5,5]-4:O[5]-2:O[5]-2:	B[5,5]-4:C[5]-4:	B[5,5]-4:C[5]-4:	B[5,5](N[5,5]C[5,5]C[5]B)(N[5,5]C[5,5]C[5]H)(O[5]C[5])2	O[5](B[5,5]N[5,5]2O[5])(C[5]C[5,5]C[6a]2)	O[5](B[5,5]N[5,5]2O[5])(C[5]C[5,5]C[6a]2)	B[5,5](N[5,5]C[5,5]C[5]B)(N[5,5]C[5,5]C[5]H)(O[5]C[5])2{4|C<3>,4|C<4>,6|H<1>}	O[5](B[5,5]N[5,5]2O[5])(C[5]C[5,5]C[6a]2){1|B<4>,2|H<1>,4|C<3>,5|C<4>}	O[5](B[5,5]N[5,5]2O[5])(C[5]C[5,5]C[6a]2){1|B<4>,2|H<1>,4|C<3>,5|C<4>}	111.8550	0.000	1	111.8550	0.000	1	111.8550	0.000	1	111.8550	0.000	1	113.6678	3.643	60	113.7313	3.553	63
786	976	976	5:SP3_SP2_SP2	B[5,5]	O[5]	O[5]	2:2:2:2:	4:3:	4:3:	O[5]-2:O[5]-2:O[5]-2:O[5]-2:	B[5,5]-4:C[5]-3:	B[5,5]-4:C[5]-3:	B[5,5](O[5]C[5])4	O[5](B[5,5]O[5]3)(C[5]C[5]O)	O[5](B[5,5]O[5]3)(C[5]C[5]O)	B[5,5](O[5]C[5])4{2|C<4>,2|H<1>,2|O<1>}	O[5](B[5,5]O[5]3)(C[5]C[5]O){1|C<3>,1|H<1>,2|C<4>}	O[5](B[5,5]O[5]3)(C[5]C[5]O){1|C<3>,1|H<1>,2|C<4>}	105.6930	0.000	1	107.8462	7.914	4	107.8462	7.914	4	107.8462	7.914	4	107.8462	7.914	4	106.2762	11.534	6
786	976	976	5:SP3_SP2_SP2	B[5,5]	O[5]	O[5]	2:2:2:2:	4:3:	4:3:	O[5]-2:O[5]-2:O[5]-2:O[5]-2:	B[5,5]-4:C[5]-3:	B[5,5]-4:C[5]-3:	B[5,5](O[5]C[5])4	O[5](B[5,5]O[5]3)(C[5]C[5]O)	O[5](B[5,5]O[5]3)(C[5]C[5]O)	B[5,5](O[5]C[5])4{2|O<1>,4|C<4>}	O[5](B[5,5]O[5]3)(C[5]C[5]O){1|C<3>,3|C<4>}	O[5](B[5,5]O[5]3)(C[5]C[5]O){1|C<3>,3|C<4>}	108.6770	0.000	1	107.8462	7.914	4	107.8462	7.914	4	107.8462	7.914	4	107.8462	7.914	4	106.2762	11.534	6
786	976	976	5:SP3_SP2_SP2	B[5,5]	O[5]	O[5]	2:2:2:2:	4:3:	4:3:	O[5]-2:O[5]-2:O[5]-2:O[5]-2:	B[5,5]-4:C[5]-3:	B[5,5]-4:C[5]-3:	B[5,5](O[5]C[5])4	O[5](B[5,5]O[5]3)(C[5]C[5]O)	O[5](B[5,5]O[5]3)(C[5]C[5]O)	B[5,5](O[5]C[5])4{4|O<1>}	O[5](B[5,5]O[5]3)(C[5]C[5]O){1|O<1>,2|C<3>}	O[5](B[5,5]O[5]3)(C[5]C[5]O){1|O<1>,2|C<3>}	108.5075	4.188	2	107.8462	7.914	4	107.8462	7.914	4	107.8462	7.914	4	107.8462	7.914	4	106.2762	11.534	6
786	976	976	5:SP3_SP2_SP2	B[5]	O[5]	O[5]	2:2:2:2:	4:3:	4:3:	O[5]-2:O[5]-2:O-2:O-2:	B[5]-4:C[5]-3:	B[5]-4:C[5]-3:	B[5](O[5]C[5])2(OP)2	O[5](B[5]O[5]OO)(C[5]C[5]O)	O[5](B[5]O[5]OO)(C[5]C[5]O)	B[5](O[5]C[5])2(OP)2{2|O<1>}	O[5](B[5]O[5]OO)(C[5]C[5]O){1|O<1>}	O[5](B[5]O[5]OO)(C[5]C[5]O){1|O<1>}	104.6100	0.000	1	104.6100	0.000	1	104.6100	0.000	1	104.6100	0.000	1	103.1360	4.345	2	106.2762	11.534	6
786	976	976	5:SP3_SP2_SP2	B[5]	O[5]	O[5]	2:2:4:2:	4:3:	4:3:	O[5]-2:O[5]-2:C-4:O-2:	B[5]-4:C[5]-3:	B[5]-4:C[5]-3:	B[5](O[5]C[5])2(CH3)(OH)	O[5](B[5]O[5]CO)(C[5]C[5]C)	O[5](B[5]O[5]CO)(C[5]C[5]O)	B[5](O[5]C[5])2(CH3)(OH){1|C<3>,1|O<1>}	O[5](B[5]O[5]CO)(C[5]C[5]C){1|O<1>}	O[5](B[5]O[5]CO)(C[5]C[5]O){1|C<3>}	101.6620	0.000	1	101.6620	0.000	1	101.6620	0.000	1	101.6620	0.000	1	103.1360	4.345	2	106.2762	11.534	6
786	976	976	5:SP3_SP2_SP3	B[5,5]	O[5]	O[5]	2:2:2:2:	4:4:	4:3:	O[5]-2:O[5]-2:O[5]-2:O[5]-2:	B[5,5]-4:C[5]-4:	B[5,5]-4:C[5]-3:	B[5,5](O[5]C[5])4	O[5](B[5,5]O[5]3)(C[5]C[5]CC)	O[5](B[5,5]O[5]3)(C[5]C[5]O)	B[5,5](O[5]C[5])4{2|O<1>,4|C<4>}	O[5](B[5,5]O[5]3)(C[5]C[5]CC){1|C<3>,1|C<4>,1|O<1>}	O[5](B[5,5]O[5]3)(C[5]C[5]O){1|C<3>,3|C<4>}	106.4115	4.508	4	106.4115	20.322	4	105.9185	10.879	13	104.8444	5.650	36	104.8444	5.650	36	103.9260	6.911	53
786	976	976	5:SP3_SP2_SP3	B[5,5]	O[5]	O[5]	2:2:2:2:	4:4:	4:3:	O[5]-2:O[5]-2:O[5]-2:O[5]-2:	B[5,5]-4:C[5]-4:	B[5,5]-4:C[5]-3:	B[5,5](O[5]C[5])4	O[5](B[5,5]O[5]3)(C[5]C[5]CH)	O[5](B[5,5]O[5]3)(C[5]C[5]O)	B[5,5](O[5]C[5])4{2|C<4>,2|H<1>,2|O<1>}	O[5](B[5,5]O[5]3)(C[5]C[5]CH){1|C<3>,1|C<4>,1|O<1>}	O[5](B[5,5]O[5]3)(C[5]C[5]O){1|C<3>,1|H<1>,2|C<4>}	105.9015	3.053	8	105.9015	9.320	8	105.9185	10.879	13	104.8444	5.650	36	104.8444	5.650	36	103.9260	6.911	53
786	976	976	5:SP3_SP2_SP3	B[5,5]	O[5]	O[5]	2:2:2:2:	4:4:	4:3:	O[5]-2:O[5]-2:O[5]-2:O[5]-2:	B[5,5]-4:C[5]-4:	B[5,5]-4:C[5]-3:	B[5,5](O[5]C[5])4	O[5](B[5,5]O[5]3)(C[5]C[5]CP)	O[5](B[5,5]O[5]3)(C[5]C[5]O)	B[5,5](O[5]C[5])4{1|P<4>,1|P<5>,2|C<4>,2|O<1>}	O[5](B[5,5]O[5]3)(C[5]C[5]CP){1|C<3>,1|C<4>,1|O<1>}	O[5](B[5,5]O[5]3)(C[5]C[5]O){1|C<3>,1|P<4>,2|C<4>}	104.0820	0.000	1	104.0820	0.000	1	105.9185	10.879	13	104.8444	5.650	36	104.8444	5.650	36	103.9260	6.911	53
786	976	976	5:SP3_SP2_SP3	B[5,5]	O[5]	O[5]	2:2:2:2:	4:4:	4:3:	O[5]-2:O[5]-2:O[5]-2:O[5]-2:	C[5]-4:B[5,5]-4:	B[5,5]-4:C[5]-3:	B[5,5](O[5]C[5])4	O[5](C[5]C[5]P[3]C)(B[5,5]O[5]3)	O[5](B[5,5]O[5]3)(C[5]C[5]O)	B[5,5](O[5]C[5])4{1|P<4>,1|P<5>,2|C<4>,2|O<1>}	O[5](C[5]C[5]P[3]C)(B[5,5]O[5]3){1|C<3>,1|C<4>,1|H<2>,1|O<2>,3|O<1>}	O[5](B[5,5]O[5]3)(C[5]C[5]O){1|C<3>,1|P<5>,2|C<4>}	104.8120	0.000	1	104.8120	0.000	1	104.2374	1.987	23	104.8444	5.650	36	104.8444	5.650	36	103.9260	6.911	53
786	976	976	5:SP3_SP2_SP3	B[5,5]	O[5]	O[5]	2:2:2:2:	4:4:	4:3:	O[5]-2:O[5]-2:O[5]-2:O[5]-2:	C[5]-4:B[5,5]-4:	B[5,5]-4:C[5]-3:	B[5,5](O[5]C[5])4	O[5](C[5]C[6a]C[5]C)(B[5,5]O[5]3)	O[5](B[5,5]O[5]3)(C[5]C[5]Rh)	B[5,5](O[5]C[5])4{1|Rh<4>,1|C<3>,5|C<4>}	O[5](C[5]C[6a]C[5]C)(B[5,5]O[5]3){1|Rh<4>,2|C<3>,2|C<4>}	O[5](B[5,5]O[5]3)(C[5]C[5]Rh){1|C<3>,3|C<4>}	98.7521	0.000	1	98.7521	0.000	1	104.2374	1.987	23	104.8444	5.650	36	104.8444	5.650	36	103.9260	6.911	53
786	976	976	5:SP3_SP2_SP3	B[5,5]	O[5]	O[5]	2:2:2:2:	4:4:	4:3:	O[5]-2:O[5]-2:O[5]-2:O[5]-2:	C[5]-4:B[5,5]-4:	B[5,5]-4:C[5]-3:	B[5,5](O[5]C[5])4	O[5](C[5]C[6a]C[5]H)(B[5,5]O[5]3)	O[5](B[5,5]O[5]3)(C[5]C[5]O)	B[5,5](O[5]C[5])4{2|C<3>,2|H<1>,2|O<1>}	O[5](C[5]C[6a]C[5]H)(B[5,5]O[5]3){1|C<4>,1|O<1>,3|C<3>}	O[5](B[5,5]O[5]3)(C[5]C[5]O){1|C<4>,1|H<1>,2|C<3>}	104.4712	0.780	21	104.4712	0.608	21	104.2374	1.987	23	104.8444	5.650	36	104.8444	5.650	36	103.9260	6.911	53
786	976	976	5:SP3_SP2_SP3	B[5]	O[5]	O[5]	2:2:1:1:	3:4:	4:4:	O[5]-2:O[5]-2:F-1:F-1:	C[5]-3:B[5]-4:	B[5]-4:C[5]-4:	B[5](O[5]C[5])2(F)2	O[5](C[5]C[5]N[5])(B[5]O[5]FF)	O[5](B[5]O[5]FF)(C[5]C[5]CC)	B[5](O[5]C[5])2(F)2{1|C<3>,1|C<4>,1|N<3>}	O[5](C[5]C[5]N[5])(B[5]O[5]FF){1|C<3>,3|C<4>}	O[5](B[5]O[5]FF)(C[5]C[5]CC){1|N<3>}	102.7950	0.585	4	102.7950	0.342	4	102.7191	0.161	9	102.7191	0.161	9	101.9812	4.185	17	103.9260	6.911	53
786	976	976	5:SP3_SP2_SP3	B[5]	O[5]	O[5]	2:2:1:1:	3:4:	4:4:	O[5]-2:O[5]-2:F-1:F-1:	C[5]-3:B[5]-4:	B[5]-4:C[5]-4:	B[5](O[5]C[5])2(F)2	O[5](C[5]C[5]N[6])(B[5]O[5]FF)	O[5](B[5]O[5]FF)(C[5]C[5]CC)	B[5](O[5]C[5])2(F)2{1|C<3>,1|C<4>,1|N<3>}	O[5](C[5]C[5]N[6])(B[5]O[5]FF){1|C<3>,3|C<4>}	O[5](B[5]O[5]FF)(C[5]C[5]CC){1|N<3>}	102.6584	0.236	5	102.6584	0.056	5	102.7191	0.161	9	102.7191	0.161	9	101.9812	4.185	17	103.9260	6.911	53
786	976	976	5:SP3_SP2_SP3	B[5]	O[5]	O[5]	2:2:1:1:	4:3:	4:4:	O[5]-2:O[5]-2:F-1:F-1:	B[5]-4:C[5]-3:	B[5]-4:C[5]-4:	B[5](O[5]C[5])2(F)2	O[5](B[5]O[5]FF)(C[5]C[5]N)	O[5](B[5]O[5]FF)(C[5]C[5]CC)	B[5](O[5]C[5])2(F)2{1|C<3>,1|C<4>,1|N<3>}	O[5](B[5]O[5]FF)(C[5]C[5]N){1|C<3>,1|C<4>}	O[5](B[5]O[5]FF)(C[5]C[5]CC){1|N<3>}	102.8635	0.338	4	102.8635	0.114	4	102.8635	0.114	4	102.8635	0.114	4	101.9812	4.185	17	103.9260	6.911	53
786	976	976	5:SP3_SP2_SP3	B[5]	O[5]	O[5]	3:3:2:2:	4:2:	4:3:	C[6a]-3:C[6a]-3:O[5]-2:O[5]-2:	B[5]-4:N[5]-2:	B[5]-4:N[5]-3:	B[5](C[6a]C[6a]2)2(O[5]N[5])2	O[5](B[5]C[6a]2O[5])(N[5]N[5])	O[5](B[5]C[6a]2O[5])(N[5]N[5]C)	B[5](C[6a]C[6a]2)2(O[5]N[5])2{1|C<4>,4|C<3>,4|F<1>}	O[5](B[5]C[6a]2O[5])(N[5]N[5]){1|C<4>,4|C<3>}	O[5](B[5]C[6a]2O[5])(N[5]N[5]C){4|C<3>}	97.9526	0.545	2	97.9526	0.297	2	97.9526	0.297	2	97.9526	0.297	2	101.9812	4.185	17	103.9260	6.911	53
786	976	976	5:SP3_SP2_SP3	B[5]	O[5]	O[5]	3:3:2:2:	4:3:	4:3:	C[6a]-3:C[6a]-3:O[5]-2:O[5]-2:	B[5]-4:N[5]-3:	B[5]-4:C[5]-3:	B[5](C[6a]C[6a]2)2(O[5]C[5])(O[5]N[5])	O[5](B[5]C[6a]2O[5])(N[5]C[5]C[6])	O[5](B[5]C[6a]2O[5])(C[5]N[5]C)	B[5](C[6a]C[6a]2)2(O[5]C[5])(O[5]N[5]){2|C<4>,4|C<3>,4|H<1>}	O[5](B[5]C[6a]2O[5])(N[5]C[5]C[6]){1|H<1>,3|C<4>,4|C<3>}	O[5](B[5]C[6a]2O[5])(C[5]N[5]C){1|C<4>,4|C<3>}	97.5839	0.000	1	97.5839	0.000	1	97.5839	0.000	1	97.5839	0.000	1	101.9812	4.185	17	103.9260	6.911	53
786	976	976	5:SP3_SP2_SP3	B[5]	O[5]	O[5]	3:3:2:2:	4:4:	4:3:	C[6a]-3:C[6a]-3:O[5]-2:O[5]-2:	B[5]-4:P[5]-4:	B[5]-4:C[5]-3:	B[5](C[6a]C[6a]2)2(O[5]C[5])(O[5]P[5])	O[5](B[5]C[6a]2O[5])(P[5]C[6a]2C[5])	O[5](B[5]C[6a]2O[5])(C[5]P[5]O)	B[5](C[6a]C[6a]2)2(O[5]C[5])(O[5]P[5]){1|O<1>,4|F<1>,6|C<3>}	O[5](B[5]C[6a]2O[5])(P[5]C[6a]2C[5]){1|O<1>,8|C<3>}	O[5](B[5]C[6a]2O[5])(C[5]P[5]O){6|C<3>}	104.2650	0.000	1	104.2650	0.000	1	104.2650	0.000	1	104.2650	0.000	1	101.9812	4.185	17	103.9260	6.911	53
786	976	976	5:SP3_SP3_SP3	B[3x5]	O[5]	O[5]	4:4:2:2:	4:4:	4:4:	C[5,5,6]-4:N[3x5,6]-4:O[5]-2:O[5]-2:	B[3x5]-4:C[5]-4:	B[3x5]-4:C[5]-4:	B[3x5](C[5,5,6]C[5,6]2C[6a])(N[3x5,6]C[5,5,6]2C)(O[5]C[5])2	O[5](B[3x5]C[5,5,6]N[3x5,6]O[5])(C[5]C[5]CC)	O[5](B[3x5]C[5,5,6]N[3x5,6]O[5])(C[5]C[5]CC)	B[3x5](C[5,5,6]C[5,6]2C[6a])(N[3x5,6]C[5,5,6]2C)(O[5]C[5])2{1|S<2>,2|C<3>,5|H<1>,6|C<4>}	O[5](B[3x5]C[5,5,6]N[3x5,6]O[5])(C[5]C[5]CC){1|C<3>,7|C<4>}	O[5](B[3x5]C[5,5,6]N[3x5,6]O[5])(C[5]C[5]CC){1|C<3>,7|C<4>}	108.4300	0.000	1	108.4300	0.000	1	108.4300	0.000	1	108.4300	0.000	1	108.4300	0.000	1	107.1544	6.752	69
786	976	976	5:SP3_SP3_SP3	B[5,5]	O[5]	O[5]	2:2:2:2:	4:4:	4:4:	O[5]-2:O[5]-2:O[5]-2:O[5]-2:	B[5,5]-4:C[5]-4:	B[5,5]-4:C[5]-4:	B[5,5](O[5]C[5])4	O[5](B[5,5]O[5]3)(C[5]C[5]CC)	O[5](B[5,5]O[5]3)(C[5]C[5]CC)	B[5,5](O[5]C[5])4{1|Rh<4>,1|C<3>,5|C<4>}	O[5](B[5,5]O[5]3)(C[5]C[5]CC){1|C<3>,3|C<4>}	O[5](B[5,5]O[5]3)(C[5]C[5]CC){1|C<3>,3|C<4>}	108.3520	0.000	1	111.1140	15.257	2	108.3822	16.693	17	108.3822	16.693	17	107.9204	7.688	39	107.1544	6.752	69
786	976	976	5:SP3_SP3_SP3	B[5,5]	O[5]	O[5]	2:2:2:2:	4:4:	4:4:	O[5]-2:O[5]-2:O[5]-2:O[5]-2:	B[5,5]-4:C[5]-4:	B[5,5]-4:C[5]-4:	B[5,5](O[5]C[5])4	O[5](B[5,5]O[5]3)(C[5]C[5]CC)	O[5](B[5,5]O[5]3)(C[5]C[5]CC)	B[5,5](O[5]C[5])4{2|O<1>,4|C<4>}	O[5](B[5,5]O[5]3)(C[5]C[5]CC){1|C<3>,1|C<4>,1|O<1>}	O[5](B[5,5]O[5]3)(C[5]C[5]CC){1|C<3>,1|C<4>,1|O<1>}	113.8760	0.000	1	111.1140	15.257	2	108.3822	16.693	17	108.3822	16.693	17	107.9204	7.688	39	107.1544	6.752	69
786	976	976	5:SP3_SP3_SP3	B[5,5]	O[5]	O[5]	2:2:2:2:	4:4:	4:4:	O[5]-2:O[5]-2:O[5]-2:O[5]-2:	B[5,5]-4:C[5]-4:	B[5,5]-4:C[5]-4:	B[5,5](O[5]C[5])4	O[5](B[5,5]O[5]3)(C[5]C[5]CH)	O[5](B[5,5]O[5]3)(C[5]C[5]CH)	B[5,5](O[5]C[5])4{2|C<4>,2|H<1>,2|O<1>}	O[5](B[5,5]O[5]3)(C[5]C[5]CH){1|C<3>,1|C<4>,1|O<1>}	O[5](B[5,5]O[5]3)(C[5]C[5]CH){1|C<3>,1|C<4>,1|O<1>}	115.3520	0.000	1	108.0180	16.780	15	108.3822	16.693	17	108.3822	16.693	17	107.9204	7.688	39	107.1544	6.752	69
786	976	976	5:SP3_SP3_SP3	B[5,5]	O[5]	O[5]	2:2:2:2:	4:4:	4:4:	O[5]-2:O[5]-2:O[5]-2:O[5]-2:	B[5,5]-4:C[5]-4:	B[5,5]-4:C[5]-4:	B[5,5](O[5]C[5])4	O[5](B[5,5]O[5]3)(C[5]C[5]CH)	O[5](B[5,5]O[5]3)(C[5]C[5]CH)	B[5,5](O[5]C[5])4{4|C<3>,4|H<1>}	O[5](B[5,5]O[5]3)(C[5]C[5]CH){1|C<3>,1|H<1>,2|C<4>}	O[5](B[5,5]O[5]3)(C[5]C[5]CH){1|C<3>,1|H<1>,2|C<4>}	107.4941	3.693	14	108.0180	16.780	15	108.3822	16.693	17	108.3822	16.693	17	107.9204	7.688	39	107.1544	6.752	69
786	976	976	5:SP3_SP3_SP3	B[5,5]	O[5]	O[5]	3:2:2:2:	4:4:	4:4:	C[5]-3:O[5]-2:O[5]-2:O[5]-2:	B[5,5]-4:C[5]-4:	B[5,5]-4:C[5]-4:	B[5,5](C[5]C[6a]C[5])(O[5]C[5])3	O[5](B[5,5]C[5]O[5]2)(C[5]C[5]CC)	O[5](B[5,5]C[5]O[5]2)(C[5]C[5]CC)	B[5,5](C[5]C[6a]C[5])(O[5]C[5])3{1|N<3>,3|C<3>,4|C<4>}	O[5](B[5,5]C[5]O[5]2)(C[5]C[5]CC){2|C<4>,3|C<3>}	O[5](B[5,5]C[5]O[5]2)(C[5]C[5]CC){2|C<4>,3|C<3>}	107.8200	0.000	1	107.8200	0.000	1	107.8200	0.000	1	107.7412	0.066	5	107.9204	7.688	39	107.1544	6.752	69
786	976	976	5:SP3_SP3_SP3	B[5,5]	O[5]	O[5]	3:2:2:2:	4:4:	4:4:	N[5,6]-3:O[5]-2:O[5]-2:O[5]-2:	B[5,5]-4:C[5]-4:	B[5,5]-4:C[5]-4:	B[5,5](N[5,6]C[5,6]C[6])(O[5]C[5])3	O[5](B[5,5]N[5,6]O[5]2)(C[5]C[5]CC)	O[5](B[5,5]N[5,6]O[5]2)(C[5]C[5]CC)	B[5,5](N[5,6]C[5,6]C[6])(O[5]C[5])3{2|C<3>,2|H<1>,5|C<4>}	O[5](B[5,5]N[5,6]O[5]2)(C[5]C[5]CC){2|C<3>,3|C<4>}	O[5](B[5,5]N[5,6]O[5]2)(C[5]C[5]CC){2|C<3>,3|C<4>}	107.7215	0.292	4	107.7215	0.085	4	107.7215	0.085	4	107.7412	0.066	5	107.9204	7.688	39	107.1544	6.752	69
786	976	976	5:SP3_SP3_SP3	B[5,5]	O[5]	O[5]	3:3:2:2:	4:4:	4:4:	C[5]-3:N[5]-3:O[5]-2:O[5]-2:	B[5,5]-4:C[5]-4:	B[5,5]-4:C[5]-4:	B[5,5](C[5]C[6a]N[5])(N[5]C[5]Mg)(O[5]C[5])2	O[5](B[5,5]C[5]N[5]O[5])(C[5]C[5]CC)	O[5](B[5,5]C[5]N[5]O[5])(C[5]C[5]CC)	B[5,5](C[5]C[6a]N[5])(N[5]C[5]Mg)(O[5]C[5])2{3|C<3>,4|C<4>}	O[5](B[5,5]C[5]N[5]O[5])(C[5]C[5]CC){1|Mg<4>,1|N<2>,2|C<3>,2|C<4>}	O[5](B[5,5]C[5]N[5]O[5])(C[5]C[5]CC){1|Mg<4>,1|N<2>,2|C<3>,2|C<4>}	107.1170	0.000	1	107.1170	0.000	1	107.1170	0.000	1	107.1170	0.000	1	107.9204	7.688	39	107.1544	6.752	69
786	976	976	5:SP3_SP3_SP3	B[5,5]	O[5]	O[5]	3:4:2:2:	4:4:	4:4:	C[5,6a]-3:C[5]-4:O[5]-2:O[5]-2:	B[5,5]-4:C[5]-4:	B[5,5]-4:C[5]-4:	B[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]FF)(O[5]C[5])2	O[5](B[5,5]C[5,6a]C[5]O[5])(C[5]C[5]CC)	O[5](B[5,5]C[5,6a]C[5]O[5])(C[5]C[5]CC)	B[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]FF)(O[5]C[5])2{1|H<1>,2|C<3>,6|C<4>}	O[5](B[5,5]C[5,6a]C[5]O[5])(C[5]C[5]CC){1|N<4>,2|C<3>,2|C<4>,2|F<1>}	O[5](B[5,5]C[5,6a]C[5]O[5])(C[5]C[5]CC){1|N<4>,2|C<3>,2|C<4>,2|F<1>}	107.4960	0.000	1	107.4960	0.000	1	107.4960	0.000	1	107.1029	1.537	9	107.9204	7.688	39	107.1544	6.752	69
786	976	976	5:SP3_SP3_SP3	B[5,5]	O[5]	O[5]	3:4:2:2:	4:4:	4:4:	C[5,6a]-3:N[5,5]-4:O[5]-2:O[5]-2:	B[5,5]-4:C[5]-4:	B[5,5]-4:C[5]-4:	B[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5]H)(O[5]C[5])2	O[5](B[5,5]C[5,6a]N[5,5]O[5])(C[5]C[5]CC)	O[5](B[5,5]C[5,6a]N[5,5]O[5])(C[5]C[5]CC)	B[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5]H)(O[5]C[5])2{1|N<3>,2|C<3>,4|H<1>,5|C<4>}	O[5](B[5,5]C[5,6a]N[5,5]O[5])(C[5]C[5]CC){1|H<1>,2|C<3>,4|C<4>}	O[5](B[5,5]C[5,6a]N[5,5]O[5])(C[5]C[5]CC){1|H<1>,2|C<3>,4|C<4>}	106.0380	0.718	4	106.0380	0.516	4	106.0380	0.516	4	107.1029	1.537	9	107.9204	7.688	39	107.1544	6.752	69
786	976	976	5:SP3_SP3_SP3	B[5,5]	O[5]	O[5]	3:4:2:2:	4:4:	4:4:	C[5,6a]-3:N[5,5]-4:O[5]-2:O[5]-2:	C[5,6,6]-4:B[5,5]-4:	B[5,5]-4:C[5,6,6]-4:	B[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]N[5]H)(O[5]C[5,6,6])2	O[5](C[5,6,6]C[4,6,6]C[5,6,6]C)(B[5,5]C[5,6a]N[5,5]O[5])	O[5](B[5,5]C[5,6a]N[5,5]O[5])(C[5,6,6]C[5,6,6]C[6,6]H)	B[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]N[5]H)(O[5]C[5,6,6])2{1|N<3>,2|H<1>,3|C<3>,5|C<4>}	O[5](C[5,6,6]C[4,6,6]C[5,6,6]C)(B[5,5]C[5,6a]N[5,5]O[5]){1|N<3>,2|C<3>,3|H<1>,4|C<4>}	O[5](B[5,5]C[5,6a]N[5,5]O[5])(C[5,6,6]C[5,6,6]C[6,6]H){1|N<3>,2|C<3>,3|H<1>,4|C<4>}	108.6025	1.071	2	108.6025	1.148	2	108.6025	1.148	2	107.1029	1.537	9	107.9204	7.688	39	107.1544	6.752	69
786	976	976	5:SP3_SP3_SP3	B[5,5]	O[5]	O[5]	3:4:2:2:	4:4:	4:4:	C[5,6a]-3:N[5]-4:O[5]-2:O[5]-2:	B[5,5]-4:C[5]-4:	B[5,5]-4:C[5]-4:	B[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(O[5]C[5])2	O[5](B[5,5]C[5,6a]N[5]O[5])(C[5]C[5]CC)	O[5](B[5,5]C[5,6a]N[5]O[5])(C[5]C[5]CC)	B[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(O[5]C[5])2{2|C<3>,3|H<1>,4|C<4>}	O[5](B[5,5]C[5,6a]N[5]O[5])(C[5]C[5]CC){2|C<3>,5|C<4>}	O[5](B[5,5]C[5,6a]N[5]O[5])(C[5]C[5]CC){2|C<3>,5|C<4>}	107.6700	0.000	1	107.6700	0.000	1	107.6700	0.000	1	107.1029	1.537	9	107.9204	7.688	39	107.1544	6.752	69
786	976	976	5:SP3_SP3_SP3	B[5,5]	O[5]	O[5]	3:4:2:2:	4:4:	4:4:	N[5,6]-3:C[5]-4:O[5]-2:O[5]-2:	B[5,5]-4:C[5]-4:	B[5,5]-4:C[5]-4:	B[5,5](N[5,6]C[5,6]C[6])(C[5]B[5]2C[5])(O[5]C[5])2	O[5](B[5,5]N[5,6]C[5]O[5])(C[5]C[5]CC)	O[5](B[5,5]N[5,6]C[5]O[5])(C[5]C[5]CC)	B[5,5](N[5,6]C[5,6]C[6])(C[5]B[5]2C[5])(O[5]C[5])2{2|C<3>,3|H<1>,4|C<4>,4|O<2>}	O[5](B[5,5]N[5,6]C[5]O[5])(C[5]C[5]CC){2|B<3>,2|C<3>,3|C<4>}	O[5](B[5,5]N[5,6]C[5]O[5])(C[5]C[5]CC){2|B<3>,2|C<3>,3|C<4>}	107.4030	0.000	1	107.4030	0.000	1	107.4030	0.000	1	107.1029	1.537	9	107.9204	7.688	39	107.1544	6.752	69
786	976	976	5:SP3_SP3_SP3	B[5,5]	O[5]	O[5]	4:2:2:2:	4:4:	4:4:	C[5,5,6]-4:O[5]-2:O[5]-2:O[5]-2:	B[5,5]-4:C[5]-4:	B[5,5]-4:C[5]-4:	B[5,5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])3	O[5](B[5,5]C[5,5,6]O[5]2)(C[5]C[5]CC)	O[5](B[5,5]C[5,5,6]O[5]2)(C[5]C[5]CC)	B[5,5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])3{1|N<3>,2|H<1>,7|C<4>}	O[5](B[5,5]C[5,5,6]O[5]2)(C[5]C[5]CC){1|C<3>,1|H<1>,4|C<4>}	O[5](B[5,5]C[5,5,6]O[5]2)(C[5]C[5]CC){1|C<3>,1|H<1>,4|C<4>}	107.5030	0.000	1	107.5030	0.000	1	107.5030	0.000	1	108.0924	0.307	7	107.9204	7.688	39	107.1544	6.752	69
786	976	976	5:SP3_SP3_SP3	B[5,5]	O[5]	O[5]	4:2:2:2:	4:4:	4:4:	C[5]-4:O[5]-2:O[5]-2:O[5]-2:	B[5,5]-4:C[5]-4:	B[5,5]-4:C[5]-4:	B[5,5](C[5]N[5]CH)(O[5]C[5])3	O[5](B[5,5]C[5]O[5]2)(C[5]C[5]CC)	O[5](B[5,5]C[5]O[5]2)(C[5]C[5]CC)	B[5,5](C[5]N[5]CH)(O[5]C[5])3{1|C<3>,5|C<4>}	O[5](B[5,5]C[5]O[5]2)(C[5]C[5]CC){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	O[5](B[5,5]C[5]O[5]2)(C[5]C[5]CC){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	109.0080	0.000	1	109.0080	0.000	1	108.2908	0.387	4	108.0924	0.307	7	107.9204	7.688	39	107.1544	6.752	69
786	976	976	5:SP3_SP3_SP3	B[5,5]	O[5]	O[5]	4:2:2:2:	4:4:	4:4:	C[5]-4:O[5]-2:O[5]-2:O[5]-2:	B[5,5]-4:C[5]-4:	B[5,5]-4:C[5]-4:	B[5,5](C[5]O[5]CH)(O[5]C[5])3	O[5](B[5,5]C[5]O[5]2)(C[5]C[5]CC)	O[5](B[5,5]C[5]O[5]2)(C[5]C[5]CC)	B[5,5](C[5]O[5]CH)(O[5]C[5])3{1|N<3>,4|C<4>}	O[5](B[5,5]C[5]O[5]2)(C[5]C[5]CC){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	O[5](B[5,5]C[5]O[5]2)(C[5]C[5]CC){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	107.8175	0.384	2	107.8175	0.147	2	108.2908	0.387	4	108.0924	0.307	7	107.9204	7.688	39	107.1544	6.752	69
786	976	976	5:SP3_SP3_SP3	B[5,5]	O[5]	O[5]	4:2:2:2:	4:4:	4:4:	C[5]-4:O[5]-2:O[5]-2:O[5]-2:	B[5,5]-4:C[5]-4:	B[5,5]-4:C[5]-4:	B[5,5](C[5]O[5]SnH)(O[5]C[5])3	O[5](B[5,5]C[5]O[5]2)(C[5]C[5]C[6]H)	O[5](B[5,5]C[5]O[5]2)(C[5]C[5]C[6]H)	B[5,5](C[5]O[5]SnH)(O[5]C[5])3{1|N<3>,2|C<4>,2|H<1>}	O[5](B[5,5]C[5]O[5]2)(C[5]C[5]C[6]H){1|Sn<4>,1|C<3>,1|O<2>,3|C<4>,3|H<1>}	O[5](B[5,5]C[5]O[5]2)(C[5]C[5]C[6]H){1|Sn<4>,1|C<3>,1|O<2>,3|C<4>,3|H<1>}	108.5200	0.000	1	108.5200	0.000	1	108.2908	0.387	4	108.0924	0.307	7	107.9204	7.688	39	107.1544	6.752	69
786	976	976	5:SP3_SP3_SP3	B[5,5]	O[5]	O[5]	4:2:2:2:	4:4:	4:4:	C[5]-4:O[5]-2:O[5]-2:O[5]-2:	C[5,6,6]-4:B[5,5]-4:	C[5,6,6]-4:B[5,5]-4:	B[5,5](C[5]C[6a]N[5]H)(O[5]C[5,6,6])2(O[5]C[5])	O[5](C[5,6,6]C[4,6,6]C[5,6,6]C)(B[5,5]C[5]O[5]2)	O[5](C[5,6,6]C[5,6,6]C[6,6]H)(B[5,5]C[5]O[5]2)	B[5,5](C[5]C[6a]N[5]H)(O[5]C[5,6,6])2(O[5]C[5]){2|C<3>,2|H<1>,4|C<4>}	O[5](C[5,6,6]C[4,6,6]C[5,6,6]C)(B[5,5]C[5]O[5]2){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	O[5](C[5,6,6]C[5,6,6]C[6,6]H)(B[5,5]C[5]O[5]2){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	107.7140	0.000	1	107.7140	0.000	1	107.7140	0.000	1	108.0924	0.307	7	107.9204	7.688	39	107.1544	6.752	69
786	976	976	5:SP3_SP3_SP3	B[5,5]	O[5]	O[5]	4:2:2:2:	4:4:	4:4:	N[5]-4:O[5]-2:O[5]-2:O[5]-2:	B[5,5]-4:C[5]-4:	B[5,5]-4:C[5]-4:	B[5,5](N[5]C[5]CC)(O[5]C[5])3	O[5](B[5,5]N[5]O[5]2)(C[5]C[6a]C[5]H)	O[5](B[5,5]N[5]O[5]2)(C[5]C[6a]C[5]H)	B[5,5](N[5]C[5]CC)(O[5]C[5])3{1|C<4>,2|C<3>,5|H<1>}	O[5](B[5,5]N[5]O[5]2)(C[5]C[6a]C[5]H){1|H<1>,3|C<3>,4|C<4>}	O[5](B[5,5]N[5]O[5]2)(C[5]C[6a]C[5]H){1|H<1>,3|C<3>,4|C<4>}	108.2670	0.000	1	108.2670	0.000	1	108.2670	0.000	1	108.0924	0.307	7	107.9204	7.688	39	107.1544	6.752	69
786	976	976	5:SP3_SP3_SP3	B[5,6]	O[5]	O[5]	3:2:2:2:	4:4:	4:4:	N[6]-3:O[5]-2:O[5]-2:O[6]-2:	B[5,6]-4:C[5]-4:	B[5,6]-4:C[5]-4:	B[5,6](N[6]N[6]P)(O[5]C[5])2(O[6]C[6])	O[5](B[5,6]N[6]O[5]O[6])(C[5]C[5]CC)	O[5](B[5,6]N[6]O[5]O[6])(C[5]C[5]CC)	B[5,6](N[6]N[6]P)(O[5]C[5])2(O[6]C[6]){1|C<3>,1|O<2>,4|C<4>}	O[5](B[5,6]N[6]O[5]O[6])(C[5]C[5]CC){1|C<3>,1|N<2>,1|P<3>,2|C<4>}	O[5](B[5,6]N[6]O[5]O[6])(C[5]C[5]CC){1|C<3>,1|N<2>,1|P<3>,2|C<4>}	109.5225	0.279	2	109.5225	0.078	2	109.5225	0.078	2	109.5225	0.078	2	106.9993	3.147	9	107.1544	6.752	69
786	976	976	5:SP3_SP3_SP3	B[5,6]	O[5]	O[5]	3:3:2:2:	4:4:	4:4:	C[6,6a]-3:N[6,6]-3:O[5]-2:O[5]-2:	B[5,6]-4:C[5]-4:	B[5,6]-4:C[5]-4:	B[5,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O[5]C[5])2	O[5](B[5,6]C[6,6a]N[6,6]O[5])(C[5]C[5]CC)	O[5](B[5,6]C[6,6a]N[6,6]O[5])(C[5]C[5]CC)	B[5,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O[5]C[5])2{1|O<2>,2|H<1>,4|C<3>,4|C<4>}	O[5](B[5,6]C[6,6a]N[6,6]O[5])(C[5]C[5]CC){2|C<4>,4|C<3>}	O[5](B[5,6]C[6,6a]N[6,6]O[5])(C[5]C[5]CC){2|C<4>,4|C<3>}	107.5900	0.000	1	107.5900	0.000	1	107.5900	0.000	1	105.9796	1.639	5	106.9993	3.147	9	107.1544	6.752	69
786	976	976	5:SP3_SP3_SP3	B[5,6]	O[5]	O[5]	3:3:2:2:	4:4:	4:4:	C[6]-3:N[6]-3:O[5]-2:O[5]-2:	B[5,6]-4:C[5]-4:	B[5,6]-4:C[5]-4:	B[5,6](C[6]B[5]N[6])(N[6]C[6]C)(O[5]C[5])2	O[5](B[5,6]C[6]N[6]O[5])(C[5]C[5]HH)	O[5](B[5,6]C[6]N[6]O[5])(C[5]C[5]HH)	B[5,6](C[6]B[5]N[6])(N[6]C[6]C)(O[5]C[5])2{1|C<4>,2|C<3>,2|O<2>,5|H<1>}	O[5](B[5,6]C[6]N[6]O[5])(C[5]C[5]HH){1|B<4>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	O[5](B[5,6]C[6]N[6]O[5])(C[5]C[5]HH){1|B<4>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	104.6875	0.291	2	104.6875	0.084	2	104.6875	0.084	2	105.9796	1.639	5	106.9993	3.147	9	107.1544	6.752	69
786	976	976	5:SP3_SP3_SP3	B[5,6]	O[5]	O[5]	3:3:2:2:	4:4:	4:4:	N[5a,6]-3:N[5a,6]-3:O[5]-2:O[5]-2:	B[5,6]-4:C[5]-4:	B[5,6]-4:C[5]-4:	B[5,6](N[5a,6]C[5a,6]C[5a])2(O[5]C[5])2	O[5](B[5,6]N[5a,6]2O[5])(C[5]C[5]2H)	O[5](B[5,6]N[5a,6]2O[5])(C[5]C[5]CH)	B[5,6](N[5a,6]C[5a,6]C[5a])2(O[5]C[5])2{2|C<4>,4|H<1>,5|C<3>}	O[5](B[5,6]N[5a,6]2O[5])(C[5]C[5]2H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	O[5](B[5,6]N[5a,6]2O[5])(C[5]C[5]CH){1|C<4>,1|H<1>,4|C<3>}	106.6460	0.000	1	106.6460	0.000	1	106.4665	0.064	2	105.9796	1.639	5	106.9993	3.147	9	107.1544	6.752	69
786	976	976	5:SP3_SP3_SP3	B[5,6]	O[5]	O[5]	3:3:2:2:	4:4:	4:4:	N[5a,6]-3:N[5a,6]-3:O[5]-2:O[5]-2:	B[5,6]-4:C[5]-4:	B[5,6]-4:C[5]-4:	B[5,6](N[5a,6]C[5a,6]C[5a])2(O[5]C[5])2	O[5](B[5,6]N[5a,6]2O[5])(C[5]C[5]2H)	O[5](B[5,6]N[5a,6]2O[5])(C[5]C[5]HO)	B[5,6](N[5a,6]C[5a,6]C[5a])2(O[5]C[5])2{1|C<4>,1|O<2>,4|H<1>,5|C<3>}	O[5](B[5,6]N[5a,6]2O[5])(C[5]C[5]2H){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	O[5](B[5,6]N[5a,6]2O[5])(C[5]C[5]HO){1|C<4>,1|H<1>,4|C<3>}	106.2870	0.000	1	106.2870	0.000	1	106.4665	0.064	2	105.9796	1.639	5	106.9993	3.147	9	107.1544	6.752	69
786	976	976	5:SP3_SP3_SP3	B[5,6]	O[5]	O[5]	4:2:2:2:	4:4:	4:4:	C[6]-4:O[6]-2:O[5]-2:O[5]-2:	B[5,6]-4:C[5]-4:	B[5,6]-4:C[5]-4:	B[5,6](C[6]N[5,6]FF)(O[6]C[6,6a])(O[5]C[5])2	O[5](B[5,6]C[6]O[5]O[6])(C[5]C[5]CC)	O[5](B[5,6]C[6]O[5]O[6])(C[5]C[5]CC)	B[5,6](C[6]N[5,6]FF)(O[6]C[6,6a])(O[5]C[5])2{2|C<3>,6|C<4>}	O[5](B[5,6]C[6]O[5]O[6])(C[5]C[5]CC){1|C<3>,1|N<4>,2|C<4>,2|F<1>}	O[5](B[5,6]C[6]O[5]O[6])(C[5]C[5]CC){1|C<3>,1|N<4>,2|C<4>,2|F<1>}	107.5790	0.000	1	107.5790	0.000	1	107.5790	0.000	1	107.5790	0.000	1	106.9993	3.147	9	107.1544	6.752	69
786	976	976	5:SP3_SP3_SP3	B[5,6]	O[5]	O[5]	4:4:2:2:	4:4:	4:4:	C[6]-4:N[6]-4:O[5]-2:O[5]-2:	B[5,6]-4:C[5]-4:	B[5,6]-4:C[5]-4:	B[5,6](C[6]C[6]HH)(N[6]C[6]CH)(O[5]C[5])2	O[5](B[5,6]C[6]N[6]O[5])(C[5]C[5]HH)	O[5](B[5,6]C[6]N[6]O[5])(C[5]C[5]HH)	B[5,6](C[6]C[6]HH)(N[6]C[6]CH)(O[5]C[5])2{1|C<4>,8|H<1>}	O[5](B[5,6]C[6]N[6]O[5])(C[5]C[5]HH){3|C<4>,5|H<1>}	O[5](B[5,6]C[6]N[6]O[5])(C[5]C[5]HH){3|C<4>,5|H<1>}	106.4720	0.000	1	106.4720	0.000	1	106.4720	0.000	1	106.4720	0.000	1	106.9993	3.147	9	107.1544	6.752	69
786	976	976	5:SP3_SP3_SP3	B[5]	O[5]	O[5]	2:2:1:1:	4:4:	4:4:	O[5]-2:O[5]-2:F-1:F-1:	C[5,5]-4:B[5]-4:	C[5,5]-4:B[5]-4:	B[5](O[5]C[5,5])2(F)2	O[5](C[5,5]C[5,5]N[5]H)(B[5]O[5]FF)	O[5](C[5,5]C[5,5]N[5]H)(B[5]O[5]FF)	B[5](O[5]C[5,5])2(F)2{2|H<1>,2|N<3>}	O[5](C[5,5]C[5,5]N[5]H)(B[5]O[5]FF){1|H<1>,1|N<3>,2|C<3>}	O[5](C[5,5]C[5,5]N[5]H)(B[5]O[5]FF){1|H<1>,1|N<3>,2|C<3>}	104.6000	0.452	4	104.6000	0.204	4	104.6000	0.204	4	104.6000	0.204	4	105.6667	3.832	20	107.1544	6.752	69
786	976	976	5:SP3_SP3_SP3	B[5]	O[5]	O[5]	2:2:2:2:	4:4:	4:4:	O[5]-2:O[5]-2:O-2:O-2:	B[5]-4:C[5]-4:	B[5]-4:C[5]-4:	B[5](O[5]C[5])2(OC)2	O[5](B[5]O[5]OO)(C[5]C[5]CC)	O[5](B[5]O[5]OO)(C[5]C[5]CC)	B[5](O[5]C[5])2(OC)2{4|C<4>}	O[5](B[5]O[5]OO)(C[5]C[5]CC){2|C<4>}	O[5](B[5]O[5]OO)(C[5]C[5]CC){2|C<4>}	108.4270	0.000	1	108.4270	0.000	1	108.4270	0.000	1	108.4270	0.000	1	105.6667	3.832	20	107.1544	6.752	69
786	976	976	5:SP3_SP3_SP3	B[5]	O[5]	O[5]	2:2:4:1:	4:4:	4:4:	O[5]-2:O[5]-2:N-4:H-1:	B[5]-4:C[5]-4:	B[5]-4:C[5]-4:	B[5](O[5]C[5])2(NCHH)(H)	O[5](B[5]O[5]HN)(C[5]C[5]CC)	O[5](B[5]O[5]HN)(C[5]C[5]CC)	B[5](O[5]C[5])2(NCHH)(H){4|C<4>}	O[5](B[5]O[5]HN)(C[5]C[5]CC){2|C<4>}	O[5](B[5]O[5]HN)(C[5]C[5]CC){2|C<4>}	105.5850	0.000	1	105.5850	0.000	1	105.5850	0.000	1	105.5850	0.000	1	105.6667	3.832	20	107.1544	6.752	69
786	976	976	5:SP3_SP3_SP3	B[5]	O[5]	O[5]	3:2:2:1:	4:4:	4:4:	C[5]-3:O[5]-2:O[5]-2:F-1:	B[5]-4:C[5]-4:	B[5]-4:C[5]-4:	B[5](C[5]N[5]2)(O[5]C[5])2(F)	O[5](B[5]C[5]O[5]F)(C[5]C[5]CC)	O[5](B[5]C[5]O[5]F)(C[5]C[5]CC)	B[5](C[5]N[5]2)(O[5]C[5])2(F){2|C<3>,6|C<4>}	O[5](B[5]C[5]O[5]F)(C[5]C[5]CC){2|C<4>,2|N<3>}	O[5](B[5]C[5]O[5]F)(C[5]C[5]CC){2|C<4>,2|N<3>}	107.0600	0.000	1	107.0600	0.000	1	107.0600	0.000	1	106.5410	0.539	2	105.6667	3.832	20	107.1544	6.752	69
786	976	976	5:SP3_SP3_SP3	B[5]	O[5]	O[5]	3:2:2:1:	4:4:	4:4:	C[5]-3:O[5]-2:O[5]-2:H-1:	B[5]-4:C[5]-4:	B[5]-4:C[5]-4:	B[5](C[5]C[5]N[5])(O[5]C[5])2(H)	O[5](B[5]C[5]O[5]H)(C[5]C[5]CC)	O[5](B[5]C[5]O[5]H)(C[5]C[5]CC)	B[5](C[5]C[5]N[5])(O[5]C[5])2(H){1|N<3>,3|C<3>,4|C<4>}	O[5](B[5]C[5]O[5]H)(C[5]C[5]CC){1|C<3>,1|N<3>,2|C<4>}	O[5](B[5]C[5]O[5]H)(C[5]C[5]CC){1|C<3>,1|N<3>,2|C<4>}	106.0220	0.000	1	106.0220	0.000	1	106.0220	0.000	1	106.5410	0.539	2	105.6667	3.832	20	107.1544	6.752	69
786	976	976	5:SP3_SP3_SP3	B[5]	O[5]	O[5]	3:2:2:2:	4:4:	4:4:	C[4]-3:O[5]-2:O[5]-2:O-2:	B[5]-4:C[5]-4:	B[5]-4:C[5]-4:	B[5](C[4]C[4]2)(O[5]C[5])2(OB[5])	O[5](B[5]C[4]O[5]O)(C[5]C[5]CC)	O[5](B[5]C[4]O[5]O)(C[5]C[5]CC)	B[5](C[4]C[4]2)(O[5]C[5])2(OB[5]){2|N<3>,5|C<4>}	O[5](B[5]C[4]O[5]O)(C[5]C[5]CC){2|C<3>,2|C<4>}	O[5](B[5]C[4]O[5]O)(C[5]C[5]CC){2|C<3>,2|C<4>}	105.1800	0.000	1	105.1800	0.000	1	105.1800	0.000	1	106.3330	1.036	3	105.6667	3.832	20	107.1544	6.752	69
786	976	976	5:SP3_SP3_SP3	B[5]	O[5]	O[5]	3:2:2:2:	4:4:	4:4:	C[5]-3:O[5]-2:O[5]-2:O-2:	B[5]-4:C[5]-4:	B[5]-4:C[5]-4:	B[5](C[5]N[5]2)(O[5]C[5])2(OC)	O[5](B[5]C[5]O[5]O)(C[5]C[5]HH)	O[5](B[5]C[5]O[5]O)(C[5]C[5]HH)	B[5](C[5]N[5]2)(O[5]C[5])2(OC){2|C<3>,2|C<4>,4|H<1>}	O[5](B[5]C[5]O[5]O)(C[5]C[5]HH){2|H<1>,2|N<3>}	O[5](B[5]C[5]O[5]O)(C[5]C[5]HH){2|H<1>,2|N<3>}	106.9095	0.279	2	106.9095	0.078	2	106.9095	0.078	2	106.3330	1.036	3	105.6667	3.832	20	107.1544	6.752	69
786	976	976	5:SP3_SP3_SP3	B[5]	O[5]	O[5]	3:2:2:3:	4:4:	4:4:	C[5]-3:O[5]-2:O[5]-2:C-3:	B[5]-4:C[5]-4:	B[5]-4:C[5]-4:	B[5](C[5]N[5]2)(O[5]C[5])2(CC[6]Te)	O[5](B[5]C[5]O[5]C)(C[5]C[5]CC)	O[5](B[5]C[5]O[5]C)(C[5]C[5]CC)	B[5](C[5]N[5]2)(O[5]C[5])2(CC[6]Te){2|C<3>,6|C<4>}	O[5](B[5]C[5]O[5]C)(C[5]C[5]CC){2|C<4>,2|N<3>}	O[5](B[5]C[5]O[5]C)(C[5]C[5]CC){2|C<4>,2|N<3>}	104.6690	0.000	1	104.6690	0.000	1	104.6690	0.000	1	104.6690	0.000	1	105.6667	3.832	20	107.1544	6.752	69
786	976	976	5:SP3_SP3_SP3	B[5]	O[5]	O[5]	3:2:2:4:	4:4:	4:4:	C[6]-3:O[5]-2:O[5]-2:N-4:	B[5]-4:C[5]-4:	B[5]-4:C[5]-4:	B[5](C[6]C[6]N[6])(O[5]C[5])2(NHNV)	O[5](B[5]C[6]O[5]N)(C[5]C[5]CC)	O[5](B[5]C[6]O[5]N)(C[5]C[5]CC)	B[5](C[6]C[6]N[6])(O[5]C[5])2(NHNV){1|H<1>,2|C<3>,4|C<4>}	O[5](B[5]C[6]O[5]N)(C[5]C[5]CC){1|C<3>,1|N<3>,2|C<4>}	O[5](B[5]C[6]O[5]N)(C[5]C[5]CC){1|C<3>,1|N<3>,2|C<4>}	107.9820	0.000	1	107.9820	0.000	1	107.9820	0.000	1	107.9820	0.000	1	105.6667	3.832	20	107.1544	6.752	69
786	976	976	5:SP3_SP3_SP3	B[5]	O[5]	O[5]	3:3:2:2:	4:4:	4:4:	B[5]-3:C[5]-3:O[5]-2:O[5]-2:	B[5]-4:C[5]-4:	B[5]-4:C[5]-4:	B[5](B[5]O[5]2)(C[5]N[5]2)(O[5]C[5])2	O[5](B[5]B[5]C[5]O[5])(C[5]C[5]CC)	O[5](B[5]B[5]C[5]O[5])(C[5]C[5]CC)	B[5](B[5]O[5]2)(C[5]N[5]2)(O[5]C[5])2{2|C<3>,8|C<4>}	O[5](B[5]B[5]C[5]O[5])(C[5]C[5]CC){2|C<4>,2|N<3>,2|O<2>}	O[5](B[5]B[5]C[5]O[5])(C[5]C[5]CC){2|C<4>,2|N<3>,2|O<2>}	104.5530	0.000	1	104.5530	0.000	1	105.0155	0.428	2	105.5123	8.309	6	105.6667	3.832	20	107.1544	6.752	69
786	976	976	5:SP3_SP3_SP3	B[5]	O[5]	O[5]	3:3:2:2:	4:4:	4:4:	B[5]-3:C[5]-3:O[5]-2:O[5]-2:	B[5]-4:C[5]-4:	B[5]-4:C[5]-4:	B[5](B[5]O[5]2)(C[5]N[5]2)(O[5]C[5])2	O[5](B[5]B[5]C[5]O[5])(C[5]C[5]HH)	O[5](B[5]B[5]C[5]O[5])(C[5]C[5]HH)	B[5](B[5]O[5]2)(C[5]N[5]2)(O[5]C[5])2{2|C<4>,4|C<3>,4|H<1>}	O[5](B[5]B[5]C[5]O[5])(C[5]C[5]HH){2|H<1>,2|N<3>,2|O<2>}	O[5](B[5]B[5]C[5]O[5])(C[5]C[5]HH){2|H<1>,2|N<3>,2|O<2>}	105.4780	0.000	1	105.4780	0.000	1	105.0155	0.428	2	105.5123	8.309	6	105.6667	3.832	20	107.1544	6.752	69
786	976	976	5:SP3_SP3_SP3	B[5]	O[5]	O[5]	3:3:2:2:	4:4:	4:4:	C[6]-3:C[5]-3:O[5]-2:O[5]-2:	B[5]-4:C[5]-4:	B[5]-4:C[5]-4:	B[5](C[6]B[5,6]N[6])(C[5]N[5]2)(O[5]C[5])2	O[5](B[5]C[5]C[6]O[5])(C[5]C[5]HH)	O[5](B[5]C[5]C[6]O[5])(C[5]C[5]HH)	B[5](C[6]B[5,6]N[6])(C[5]N[5]2)(O[5]C[5])2{1|N<3>,2|O<2>,3|C<3>,3|C<4>,4|H<1>}	O[5](B[5]C[5]C[6]O[5])(C[5]C[5]HH){1|B<4>,2|H<1>,3|N<3>}	O[5](B[5]C[5]C[6]O[5])(C[5]C[5]HH){1|B<4>,2|H<1>,3|N<3>}	105.8750	0.496	2	105.8750	0.246	2	105.8750	0.246	2	105.5123	8.309	6	105.6667	3.832	20	107.1544	6.752	69
786	976	976	5:SP3_SP3_SP3	B[5]	O[5]	O[5]	3:3:2:2:	4:4:	4:4:	C[6a]-3:C[6a]-3:O[5]-2:O[5]-2:	B[5]-4:C[5]-4:	B[5]-4:N[5]-4:	B[5](C[6a]C[6a]2)2(O[5]C[5])(O[5]N[5])	O[5](B[5]C[6a]2O[5])(C[5]N[5]HH)	O[5](B[5]C[6a]2O[5])(N[5]C[5]CC)	B[5](C[6a]C[6a]2)2(O[5]C[5])(O[5]N[5]){2|C<4>,4|C<3>,6|H<1>}	O[5](B[5]C[6a]2O[5])(C[5]N[5]HH){2|C<4>,4|C<3>}	O[5](B[5]C[6a]2O[5])(N[5]C[5]CC){2|H<1>,4|C<3>}	101.1700	0.000	1	101.1700	0.000	1	101.1700	0.000	1	105.5123	8.309	6	105.6667	3.832	20	107.1544	6.752	69
786	976	976	5:SP3_SP3_SP3	B[5]	O[5]	O[5]	3:3:2:2:	4:4:	4:4:	N[6]-3:N[6]-3:O[5]-2:O[5]-2:	B[5]-4:C[5]-4:	B[5]-4:C[5]-4:	B[5](N[6]C[6]2)2(O[5]C[5])2	O[5](B[5]N[6]2O[5])(C[5]C[5]CC)	O[5](B[5]N[6]2O[5])(C[5]C[5]CC)	B[5](N[6]C[6]2)2(O[5]C[5])2{4|C<3>,4|C<4>,4|H<1>}	O[5](B[5]N[6]2O[5])(C[5]C[5]CC){2|C<4>,4|C<3>}	O[5](B[5]N[6]2O[5])(C[5]C[5]CC){2|C<4>,4|C<3>}	110.1230	0.000	1	110.1230	0.000	1	110.1230	0.000	1	105.5123	8.309	6	105.6667	3.832	20	107.1544	6.752	69
786	976	976	5:SP3_SP3_SP3	B[5]	O[5]	O[5]	4:2:2:4:	4:4:	4:4:	C[4]-4:O[5]-2:O[5]-2:C-4:	B[5]-4:C[5]-4:	B[5]-4:C[5]-4:	B[5](C[4]C[4]2C)(O[5]C[5])2(CHHN)	O[5](B[5]C[4]O[5]C)(C[5]C[5]CC)	O[5](B[5]C[4]O[5]C)(C[5]C[5]CC)	B[5](C[4]C[4]2C)(O[5]C[5])2(CHHN){3|H<1>,6|C<4>}	O[5](B[5]C[4]O[5]C)(C[5]C[5]CC){5|C<4>}	O[5](B[5]C[4]O[5]C)(C[5]C[5]CC){5|C<4>}	103.1150	0.000	1	103.1150	0.000	1	103.1150	0.000	1	103.1150	0.000	1	105.6667	3.832	20	107.1544	6.752	69
786	976	983	0:SP3_SP1_SP2	B[5,5]	O[5]	C	4:2:2:2:	4:3:	4:2:	N[5,5]-4:O[5]-2:O[5]-2:C-2:	B[5,5]-4:C[5]-3:	B[5,5]-4:C-2:	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CC)	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]O)	C(B[5,5]N[5,5]O[5]2)(CH)	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CC){2|O<1>,4|H<1>}	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]O){1|C<3>,2|C<4>,2|H<1>}	C(B[5,5]N[5,5]O[5]2)(CH)	112.8150	1.527	2	112.8150	2.333	2	115.4192	5.776	10	115.4192	5.776	10	115.4192	5.776	10	115.4192	5.776	10
786	976	983	0:SP3_SP1_SP2	B[5,5]	O[5]	C	4:2:2:2:	4:3:	4:2:	N[5,5]-4:O[5]-2:O[5]-2:C-2:	B[5,5]-4:C[5]-3:	B[5,5]-4:C-2:	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CC)	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]O)	C(B[5,5]N[5,5]O[5]2)(CRu)	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CC){2|O<1>,4|H<1>}	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]O){1|C<3>,2|C<4>,2|H<1>}	C(B[5,5]N[5,5]O[5]2)(CRu)	116.0703	2.161	8	116.0703	4.671	8	115.4192	5.776	10	115.4192	5.776	10	115.4192	5.776	10	115.4192	5.776	10
786	976	983	0:SP3_SP1_SP3	B[5]	O[5]	C	4:2:2:2:	4:4:	4:1:	N[3,5]-4:O[5]-2:C-2:C-2:	B[5]-4:C[5]-4:	B[5]-4:N-1:	B[5](N[3,5]C[3,5]C[3]C)(O[5]C[5])(CN)2	O[5](B[5]N[3,5]CC)(C[5]C[3,5]HH)	C(B[5]N[3,5]O[5]C)(N)	B[5](N[3,5]C[3,5]C[3]C)(O[5]C[5])(CN)2{5|H<1>}	O[5](B[5]N[3,5]CC)(C[5]C[3,5]HH){1|H<1>,2|C<4>}	C(B[5]N[3,5]O[5]C)(N)	112.4100	2.360	2	112.4100	5.571	2	112.4100	5.571	2	112.4100	5.571	2	112.4100	5.571	2	112.4100	5.571	2
786	976	999	0:SP3_SP3_SP3	B[3x5]	O[5]	N[3x5,6]	4:4:2:2:	4:4:	4:4:4:4:	C[5,5,6]-4:N[3x5,6]-4:O[5]-2:O[5]-2:	B[3x5]-4:C[5]-4:	B[3x5]-4:C[5,5,6]-4:C[5,5,6]-4:C-4:	B[3x5](C[5,5,6]C[5,6]2C[6a])(N[3x5,6]C[5,5,6]2C)(O[5]C[5])2	O[5](B[3x5]C[5,5,6]N[3x5,6]O[5])(C[5]C[5]CC)	N[3x5,6](B[3x5]C[5,5,6]O[5]2)(C[5,5,6]C[5,6]C[5]H)2(CC[6a]HH)	B[3x5](C[5,5,6]C[5,6]2C[6a])(N[3x5,6]C[5,5,6]2C)(O[5]C[5])2{1|S<2>,2|C<3>,5|H<1>,6|C<4>}	O[5](B[3x5]C[5,5,6]N[3x5,6]O[5])(C[5]C[5]CC){1|C<3>,7|C<4>}	N[3x5,6](B[3x5]C[5,5,6]O[5]2)(C[5,5,6]C[5,6]C[5]H)2(CC[6a]HH){1|C<3>,1|S<2>,2|C<4>,7|H<1>}	108.9755	4.600	2	108.9755	21.158	2	108.9755	21.158	2	108.9755	21.158	2	108.9755	21.158	2	109.0525	14.484	23
786	976	999	0:SP3_SP3_SP3	B[5,5,6]	O[5]	N[5,6]	4:4:2:2:	4:4:	4:4:4:4:	N[5,6]-4:N[5,5]-4:O[6]-2:O[5]-2:	B[5,5,6]-4:C[5]-4:	B[5,5,6]-4:B[6]-4:C[5]-4:C-4:	B[5,5,6](N[5,6]B[6]C[5]C)(N[5,5]C[5]2B)(O[6]C[5,6])(O[5]C[5])	O[5](B[5,5,6]N[5,5]N[5,6]O[6])(C[5]C[5]HH)	N[5,6](B[5,5,6]N[5,5]O[5]O[6])(B[6]N[5,6]HH)(C[5]C[5]CH)(CH3)	B[5,5,6](N[5,6]B[6]C[5]C)(N[5,5]C[5]2B)(O[6]C[5,6])(O[5]C[5]){2|C<4>,2|N<3>,8|H<1>}	O[5](B[5,5,6]N[5,5]N[5,6]O[6])(C[5]C[5]HH){1|C<3>,1|H<1>,2|B<4>,4|C<4>}	N[5,6](B[5,5,6]N[5,5]O[5]O[6])(B[6]N[5,6]HH)(C[5]C[5]CH)(CH3){1|B<4>,1|C<3>,2|H<1>,3|C<4>}	114.3450	0.000	1	114.3450	0.000	1	114.3450	0.000	1	114.3450	0.000	1	114.3450	0.000	1	109.0525	14.484	23
786	976	999	0:SP3_SP3_SP3	B[5,5]	O[5]	N[5,5]	3:4:2:2:	4:4:	4:4:3:1:	C[5,6a]-3:N[5,5]-4:O[5]-2:O[5]-2:	B[5,5]-4:C[5,6,6]-4:	B[5,5]-4:C[5,5]-4:N[5]-3:H-1:	B[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]N[5]H)(O[5]C[5,6,6])2	O[5](B[5,5]C[5,6a]N[5,5]O[5])(C[5,6,6]C[5,6,6]C[6,6]H)	N[5,5](B[5,5]C[5,6a]O[5]2)(C[5,5]C[5,6a]N[5]C)(N[5]C[5]C)(H)	B[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]N[5]H)(O[5]C[5,6,6])2{1|N<3>,2|H<1>,3|C<3>,5|C<4>}	O[5](B[5,5]C[5,6a]N[5,5]O[5])(C[5,6,6]C[5,6,6]C[6,6]H){1|N<3>,2|C<3>,3|H<1>,4|C<4>}	N[5,5](B[5,5]C[5,6a]O[5]2)(C[5,5]C[5,6a]N[5]C)(N[5]C[5]C)(H){1|S<1>,2|C<4>,3|C<3>}	106.3505	0.572	2	106.3505	0.327	2	106.3505	0.327	2	106.6377	0.565	4	109.1994	14.414	14	109.0525	14.484	23
786	976	999	0:SP3_SP3_SP3	B[5,5]	O[5]	N[5,5]	3:4:2:2:	4:4:	4:4:3:1:	C[5,6a]-3:N[5,5]-4:O[5]-2:O[5]-2:	C[5,6,6]-4:B[5,5]-4:	B[5,5]-4:C[5,5]-4:N[5]-3:H-1:	B[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]N[5]H)(O[5]C[5,6,6])2	O[5](C[5,6,6]C[4,6,6]C[5,6,6]C)(B[5,5]C[5,6a]N[5,5]O[5])	N[5,5](B[5,5]C[5,6a]O[5]2)(C[5,5]C[5,6a]N[5]C)(N[5]C[5]C)(H)	B[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]N[5]H)(O[5]C[5,6,6])2{1|N<3>,2|H<1>,3|C<3>,5|C<4>}	O[5](C[5,6,6]C[4,6,6]C[5,6,6]C)(B[5,5]C[5,6a]N[5,5]O[5]){1|N<3>,2|C<3>,3|H<1>,4|C<4>}	N[5,5](B[5,5]C[5,6a]O[5]2)(C[5,5]C[5,6a]N[5]C)(N[5]C[5]C)(H){1|S<1>,2|C<4>,3|C<3>}	106.9250	1.018	2	106.9250	1.037	2	106.9250	1.037	2	106.6377	0.565	4	109.1994	14.414	14	109.0525	14.484	23
786	976	999	0:SP3_SP3_SP3	B[5,5]	O[5]	N[5,5]	3:4:2:2:	4:4:	4:4:4:1:	C[5,6a]-3:N[5,5]-4:O[5]-2:O[5]-2:	B[5,5]-4:C[5]-4:	B[5,5]-4:C[5,5]-4:C[5]-4:H-1:	B[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5]H)(O[5]C[5])2	O[5](B[5,5]C[5,6a]N[5,5]O[5])(C[5]C[5]CC)	N[5,5](B[5,5]C[5,6a]O[5]2)(C[5,5]C[5,6a]N[5]H)(C[5]C[5]HH)(H)	B[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5]H)(O[5]C[5])2{1|N<3>,2|C<3>,4|H<1>,5|C<4>}	O[5](B[5,5]C[5,6a]N[5,5]O[5])(C[5]C[5]CC){1|H<1>,2|C<3>,4|C<4>}	N[5,5](B[5,5]C[5,6a]O[5]2)(C[5,5]C[5,6a]N[5]H)(C[5]C[5]HH)(H){1|H<1>,2|C<3>,4|C<4>}	109.0430	3.974	2	109.2549	14.374	8	109.2549	14.374	8	109.2549	14.374	8	109.1994	14.414	14	109.0525	14.484	23
786	976	999	0:SP3_SP3_SP3	B[5,5]	O[5]	N[5,5]	3:4:2:2:	4:4:	4:4:4:1:	C[5,6a]-3:N[5,5]-4:O[5]-2:O[5]-2:	B[5,5]-4:C[5]-4:	B[5,5]-4:C[5,5]-4:C[5]-4:H-1:	B[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5]H)(O[5]C[5])2	O[5](B[5,5]C[5,6a]N[5,5]O[5])(C[5]C[5]CC)	N[5,5](B[5,5]C[5,6a]O[5]2)(C[5,5]C[5,6a]N[5]H)(C[5]C[5]HH)(H)	B[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5]H)(O[5]C[5])2{1|N<3>,2|C<3>,4|H<1>,5|C<4>}	O[5](B[5,5]C[5,6a]N[5,5]O[5])(C[5]C[5]CC){1|H<1>,2|C<3>,4|C<4>}	N[5,5](B[5,5]C[5,6a]O[5]2)(C[5,5]C[5,6a]N[5]H)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,3|H<1>}	109.4772	4.528	4	109.2549	14.374	8	109.2549	14.374	8	109.2549	14.374	8	109.1994	14.414	14	109.0525	14.484	23
786	976	999	0:SP3_SP3_SP3	B[5,5]	O[5]	N[5,5]	3:4:2:2:	4:4:	4:4:4:1:	C[5,6a]-3:N[5,5]-4:O[5]-2:O[5]-2:	B[5,5]-4:C[5]-4:	B[5,5]-4:C[5,5]-4:C[5]-4:H-1:	B[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5]H)(O[5]C[5])2	O[5](B[5,5]C[5,6a]N[5,5]O[5])(C[5]C[5]CC)	N[5,5](B[5,5]C[5,6a]O[5]2)(C[5,5]C[5,6a]N[5]H)(C[5]C[5]HH)(H)	B[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5]H)(O[5]C[5])2{1|N<3>,2|C<3>,4|H<1>,5|C<4>}	O[5](B[5,5]C[5,6a]N[5,5]O[5])(C[5]C[5]CC){1|H<1>,2|C<3>,4|C<4>}	N[5,5](B[5,5]C[5,6a]O[5]2)(C[5,5]C[5,6a]N[5]H)(C[5]C[5]HH)(H){2|C<4>,2|H<1>,3|C<3>}	109.0220	4.787	2	109.2549	14.374	8	109.2549	14.374	8	109.2549	14.374	8	109.1994	14.414	14	109.0525	14.484	23
786	976	999	0:SP3_SP3_SP3	B[5,5]	O[5]	N[5,5]	4:4:2:2:	4:4:	4:4:4:1:	N[5,5]-4:N[5,5]-4:O[5]-2:O[5]-2:	B[5,5]-4:C[5]-4:	B[5,5]-4:C[5,5]-4:C[5]-4:H-1:	B[5,5](N[5,5]C[5,5]C[5]B)(N[5,5]C[5,5]C[5]H)(O[5]C[5])2	O[5](B[5,5]N[5,5]2O[5])(C[5]C[5,5]C[6a]2)	N[5,5](B[5,5]N[5,5]O[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	B[5,5](N[5,5]C[5,5]C[5]B)(N[5,5]C[5,5]C[5]H)(O[5]C[5])2{4|C<3>,4|C<4>,6|H<1>}	O[5](B[5,5]N[5,5]2O[5])(C[5]C[5,5]C[6a]2){1|B<4>,2|H<1>,4|C<3>,5|C<4>}	N[5,5](B[5,5]N[5,5]O[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)(H){1|B<4>,2|C<3>,3|C<4>,4|H<1>}	111.7840	0.000	1	111.7840	0.000	1	111.7840	0.000	1	111.7840	0.000	1	109.1994	14.414	14	109.0525	14.484	23
786	976	999	0:SP3_SP3_SP3	B[5,5]	O[5]	N[5,5]	4:4:2:2:	4:4:	4:4:4:4:	N[5,5]-4:N[5,5]-4:O[5]-2:O[5]-2:	B[5,5]-4:C[5]-4:	B[5,5]-4:C[5,5]-4:C[5]-4:B-4:	B[5,5](N[5,5]C[5,5]C[5]B)(N[5,5]C[5,5]C[5]H)(O[5]C[5])2	O[5](B[5,5]N[5,5]2O[5])(C[5]C[5,5]C[6a]2)	N[5,5](B[5,5]N[5,5]O[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)(BH3)	B[5,5](N[5,5]C[5,5]C[5]B)(N[5,5]C[5,5]C[5]H)(O[5]C[5])2{4|C<3>,4|C<4>,6|H<1>}	O[5](B[5,5]N[5,5]2O[5])(C[5]C[5,5]C[6a]2){1|B<4>,2|H<1>,4|C<3>,5|C<4>}	N[5,5](B[5,5]N[5,5]O[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)(BH3){2|C<3>,3|C<4>,5|H<1>}	116.4180	0.000	1	116.4180	0.000	1	116.4180	0.000	1	116.4180	0.000	1	109.1994	14.414	14	109.0525	14.484	23
786	976	999	0:SP3_SP3_SP3	B[5,5]	O[5]	N[5]	3:4:2:2:	4:4:	4:4:4:4:	C[5,6a]-3:N[5]-4:O[5]-2:O[5]-2:	B[5,5]-4:C[5]-4:	B[5,5]-4:C[5]-4:C-4:C-4:	B[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(O[5]C[5])2	O[5](B[5,5]C[5,6a]N[5]O[5])(C[5]C[5]CC)	N[5](B[5,5]C[5,6a]O[5]2)(C[5]C[5,6a]HH)(CH3)2	B[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(O[5]C[5])2{2|C<3>,3|H<1>,4|C<4>}	O[5](B[5,5]C[5,6a]N[5]O[5])(C[5]C[5]CC){2|C<3>,5|C<4>}	N[5](B[5,5]C[5,6a]O[5]2)(C[5]C[5,6a]HH)(CH3)2{2|C<3>,2|C<4>}	109.1260	4.755	2	109.1260	22.606	2	109.1260	22.606	2	106.9250	14.039	4	107.8532	14.632	6	109.0525	14.484	23
786	976	999	0:SP3_SP3_SP3	B[5,5]	O[5]	N[5]	3:4:2:2:	4:4:	4:4:4:4:	C[5,6a]-3:N[5]-4:O[5]-2:O[5]-2:	B[5,5]-4:Si[5]-4:	B[5,5]-4:C[5]-4:C-4:C-4:	B[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(O[5]Si[5])(O[5]C[5])	O[5](B[5,5]C[5,6a]N[5]O[5])(Si[5]C[5,6a]CC)	N[5](B[5,5]C[5,6a]O[5]2)(C[5]C[5]HH)(CH3)2	B[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(O[5]Si[5])(O[5]C[5]){2|C<3>,2|C<4>,5|H<1>}	O[5](B[5,5]C[5,6a]N[5]O[5])(Si[5]C[5,6a]CC){2|C<3>,4|C<4>}	N[5](B[5,5]C[5,6a]O[5]2)(C[5]C[5]HH)(CH3)2{1|Si<4>,2|C<3>,2|H<1>}	104.7240	0.365	2	104.7240	0.133	2	104.7240	0.133	2	106.9250	14.039	4	107.8532	14.632	6	109.0525	14.484	23
786	976	999	0:SP3_SP3_SP3	B[5,5]	O[5]	N[5]	4:2:2:2:	4:4:	4:4:4:4:	N[5]-4:O[5]-2:O[5]-2:O[5]-2:	B[5,5]-4:C[5]-4:	B[5,5]-4:C[5]-4:C-4:C-4:	B[5,5](N[5]C[5]CC)(O[5]C[5])3	O[5](B[5,5]N[5]O[5]2)(C[5]C[6a]C[5]H)	N[5](B[5,5]O[5]3)(C[5]C[5]HH)(CH3)2	B[5,5](N[5]C[5]CC)(O[5]C[5])3{1|C<4>,2|C<3>,5|H<1>}	O[5](B[5,5]N[5]O[5]2)(C[5]C[6a]C[5]H){1|H<1>,3|C<3>,4|C<4>}	N[5](B[5,5]O[5]3)(C[5]C[5]HH)(CH3)2{1|H<1>,3|C<4>}	109.7095	4.550	2	109.7095	20.705	2	109.7095	20.705	2	109.7095	20.705	2	107.8532	14.632	6	109.0525	14.484	23
786	976	999	5:SP3_SP2_SP3	B[5,5]	O[5]	N[3x5]	3:4:2:2:	4:3:	4:4:4:1:	C[5,6a]-3:N[3x5]-4:O[5]-2:O-2:	B[5,5]-4:C[5]-3:	B[5,5]-4:C[5,5]-4:C[5,5]-4:H-1:	B[5,5](C[5,6a]C[5,6a]C[6a])(N[3x5]C[5,5]2H)(O[5]C[5])(OH)	O[5](B[5,5]C[5,6a]N[3x5]O)(C[5]C[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)	B[5,5](C[5,6a]C[5,6a]C[6a])(N[3x5]C[5,5]2H)(O[5]C[5])(OH){1|C<4>,1|O<1>,1|S<2>,2|C<3>,3|H<1>}	O[5](B[5,5]C[5,6a]N[3x5]O)(C[5]C[5,5]O){2|C<3>,2|C<4>,2|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>}	99.3397	0.335	2	99.3397	0.112	2	99.3397	0.112	2	99.3397	0.112	2	99.3397	0.112	2	101.3334	2.189	119
786	976	999	5:SP3_SP2_SP3	B[5,5]	O[5]	N[5,5]	3:4:2:2:	4:3:	4:4:4:4:	C[5a]-3:N[5,5]-4:O[5]-2:O[5]-2:	B[5,5]-4:C[5]-3:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	B[5,5](C[5a]C[5a,6a]C[5a])(N[5,5]C[5]2C)(O[5]C[5])2	O[5](B[5,5]N[5,5]C[5a]O[5])(C[5]C[5]O)	N[5,5](B[5,5]C[5a]O[5]2)(C[5]C[5]HH)2(CH3)	B[5,5](C[5a]C[5a,6a]C[5a])(N[5,5]C[5]2C)(O[5]C[5])2{1|O<2>,2|O<1>,3|C<3>,4|H<1>}	O[5](B[5,5]N[5,5]C[5a]O[5])(C[5]C[5]O){2|C<4>,2|H<1>,3|C<3>}	N[5,5](B[5,5]C[5a]O[5]2)(C[5]C[5]HH)2(CH3){2|C<3>,2|O<1>}	101.8185	0.538	2	101.8185	0.290	2	101.1975	1.690	18	101.2452	1.756	22	101.3825	2.148	116	101.3334	2.189	119
786	976	999	5:SP3_SP2_SP3	B[5,5]	O[5]	N[5,5]	3:4:2:2:	4:3:	4:4:4:4:	C[5a]-3:N[5,5]-4:O[5]-2:O[5]-2:	B[5,5]-4:C[5]-3:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	B[5,5](C[5a]C[5a]N[5a])(N[5,5]C[5]2C)(O[5]C[5])2	O[5](B[5,5]N[5,5]C[5a]O[5])(C[5]C[5]O)	N[5,5](B[5,5]C[5a]O[5]2)(C[5]C[5]HH)2(CH3)	B[5,5](C[5a]C[5a]N[5a])(N[5,5]C[5]2C)(O[5]C[5])2{1|C<3>,1|N<3>,2|O<1>,5|H<1>}	O[5](B[5,5]N[5,5]C[5a]O[5])(C[5]C[5]O){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	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>}	101.4715	1.442	2	101.5292	2.034	6	101.1975	1.690	18	101.2452	1.756	22	101.3825	2.148	116	101.3334	2.189	119
786	976	999	5:SP3_SP2_SP3	B[5,5]	O[5]	N[5,5]	3:4:2:2:	4:3:	4:4:4:4:	C[5a]-3:N[5,5]-4:O[5]-2:O[5]-2:	B[5,5]-4:C[5]-3:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	B[5,5](C[5a]C[5a]N[5a])(N[5,5]C[5]2C)(O[5]C[5])2	O[5](B[5,5]N[5,5]C[5a]O[5])(C[5]C[5]O)	N[5,5](B[5,5]C[5a]O[5]2)(C[5]C[5]HH)2(CH3)	B[5,5](C[5a]C[5a]N[5a])(N[5,5]C[5]2C)(O[5]C[5])2{1|C<3>,1|S<2>,2|O<1>,5|H<1>}	O[5](B[5,5]N[5,5]C[5a]O[5])(C[5]C[5]O){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	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>}	101.5580	1.641	4	101.5292	2.034	6	101.1975	1.690	18	101.2452	1.756	22	101.3825	2.148	116	101.3334	2.189	119
786	976	999	5:SP3_SP2_SP3	B[5,5]	O[5]	N[5,5]	3:4:2:2:	4:3:	4:4:4:4:	C[5a]-3:N[5,5]-4:O[5]-2:O[5]-2:	B[5,5]-4:C[5]-3:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	B[5,5](C[5a]C[5a]S[5a])(N[5,5]C[5]2C)(O[5]C[5])2	O[5](B[5,5]N[5,5]C[5a]O[5])(C[5]C[5]O)	N[5,5](B[5,5]C[5a]O[5]2)(C[5]C[5]HH)2(CH3)	B[5,5](C[5a]C[5a]S[5a])(N[5,5]C[5]2C)(O[5]C[5])2{1|C<3>,1|N<2>,2|O<1>,5|H<1>}	O[5](B[5,5]N[5,5]C[5a]O[5])(C[5]C[5]O){1|S<2>,2|C<3>,2|C<4>,2|H<1>}	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>}	100.5513	1.537	2	100.8743	1.755	10	101.1975	1.690	18	101.2452	1.756	22	101.3825	2.148	116	101.3334	2.189	119
786	976	999	5:SP3_SP2_SP3	B[5,5]	O[5]	N[5,5]	3:4:2:2:	4:3:	4:4:4:4:	C[5a]-3:N[5,5]-4:O[5]-2:O[5]-2:	B[5,5]-4:C[5]-3:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	B[5,5](C[5a]C[5a]S[5a])(N[5,5]C[5]2C)(O[5]C[5])2	O[5](B[5,5]N[5,5]C[5a]O[5])(C[5]C[5]O)	N[5,5](B[5,5]C[5a]O[5]2)(C[5]C[5]HH)2(CH3)	B[5,5](C[5a]C[5a]S[5a])(N[5,5]C[5]2C)(O[5]C[5])2{1|C<4>,2|C<3>,2|O<1>,4|H<1>}	O[5](B[5,5]N[5,5]C[5a]O[5])(C[5]C[5]O){1|S<2>,2|C<3>,2|C<4>,2|H<1>}	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>}	100.7142	1.671	4	100.8743	1.755	10	101.1975	1.690	18	101.2452	1.756	22	101.3825	2.148	116	101.3334	2.189	119
786	976	999	5:SP3_SP2_SP3	B[5,5]	O[5]	N[5,5]	3:4:2:2:	4:3:	4:4:4:4:	C[5a]-3:N[5,5]-4:O[5]-2:O[5]-2:	B[5,5]-4:C[5]-3:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	B[5,5](C[5a]C[5a]S[5a])(N[5,5]C[5]2C)(O[5]C[5])2	O[5](B[5,5]N[5,5]C[5a]O[5])(C[5]C[5]O)	N[5,5](B[5,5]C[5a]O[5]2)(C[5]C[5]HH)2(CH3)	B[5,5](C[5a]C[5a]S[5a])(N[5,5]C[5]2C)(O[5]C[5])2{2|C<3>,2|O<1>,5|H<1>}	O[5](B[5,5]N[5,5]C[5a]O[5])(C[5]C[5]O){1|S<2>,2|C<3>,2|C<4>,2|H<1>}	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>}	101.1960	1.202	4	100.8743	1.755	10	101.1975	1.690	18	101.2452	1.756	22	101.3825	2.148	116	101.3334	2.189	119
786	976	999	5:SP3_SP2_SP3	B[5,5]	O[5]	N[5,5]	3:4:2:2:	4:3:	4:4:4:4:	C[6a]-3:N[5,5]-4:O[5]-2:O[5]-2:	B[5,5]-4:C[5]-3:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	B[5,5](C[6a]C[6a]N[6a])(N[5,5]C[5]2C)(O[5]C[5])2	O[5](B[5,5]N[5,5]C[6a]O[5])(C[5]C[5]O)	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(CH3)	B[5,5](C[6a]C[6a]N[6a])(N[5,5]C[5]2C)(O[5]C[5])2{1|C<3>,1|N<2>,2|O<1>,5|H<1>}	O[5](B[5,5]N[5,5]C[6a]O[5])(C[5]C[5]O){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	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>}	101.6240	1.802	2	101.4599	2.638	4	101.4599	2.638	4	101.2452	1.756	22	101.3825	2.148	116	101.3334	2.189	119
786	976	999	5:SP3_SP2_SP3	B[5,5]	O[5]	N[5,5]	3:4:2:2:	4:3:	4:4:4:4:	C[6a]-3:N[5,5]-4:O[5]-2:O[5]-2:	B[5,5]-4:C[5]-3:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	B[5,5](C[6a]C[6a]N[6a])(N[5,5]C[5]2C)(O[5]C[5])2	O[5](B[5,5]N[5,5]C[6a]O[5])(C[5]C[5]O)	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(CH3)	B[5,5](C[6a]C[6a]N[6a])(N[5,5]C[5]2C)(O[5]C[5])2{2|C<3>,2|O<1>,5|H<1>}	O[5](B[5,5]N[5,5]C[6a]O[5])(C[5]C[5]O){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	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>}	101.2959	2.136	2	101.4599	2.638	4	101.4599	2.638	4	101.2452	1.756	22	101.3825	2.148	116	101.3334	2.189	119
786	976	999	5:SP3_SP2_SP3	B[5,5]	O[5]	N[5,5]	4:2:2:2:	4:3:	4:4:4:4:	N[5,5]-4:O[5]-2:O[5]-2:C-2:	B[5,5]-4:C[5]-3:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CC)	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]O)	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3)	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CC){2|O<1>,4|H<1>}	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]O){1|C<3>,2|C<4>,2|H<1>}	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3){2|O<1>}	100.3972	1.742	10	100.3972	3.036	10	100.3972	3.036	10	101.1490	3.743	14	101.3825	2.148	116	101.3334	2.189	119
786	976	999	5:SP3_SP2_SP3	B[5,5]	O[5]	N[5,5]	4:2:2:2:	4:3:	4:4:4:4:	N[5,5]-4:O[5]-2:O[5]-2:O-2:	B[5,5]-4:C[5]-3:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(OC)	O[5](B[5,5]N[5,5]O[5]O)(C[5]C[5]O)	N[5,5](B[5,5]O[5]2O)(C[5]C[5]HH)2(CH3)	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(OC){2|O<1>,4|H<1>}	O[5](B[5,5]N[5,5]O[5]O)(C[5]C[5]O){1|C<3>,2|C<4>,2|H<1>}	N[5,5](B[5,5]O[5]2O)(C[5]C[5]HH)2(CH3){2|O<1>}	103.0282	0.722	4	103.0282	0.521	4	103.0282	0.521	4	101.1490	3.743	14	101.3825	2.148	116	101.3334	2.189	119
786	976	999	5:SP3_SP2_SP3	B[5,5]	O[5]	N[5,5]	4:2:2:3:	4:3:	4:4:4:4:	N[5,5]-4:O[5]-2:O[5]-2:C-3:	B[5,5]-4:C[5]-3:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CCC)	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]O)	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3)	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CCC){2|O<1>,4|H<1>}	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]O){1|C<3>,2|C<4>,2|H<1>}	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3){2|O<1>}	101.6945	1.389	2	101.6945	1.931	2	101.5454	2.243	22	101.5254	2.196	24	101.3825	2.148	116	101.3334	2.189	119
786	976	999	5:SP3_SP2_SP3	B[5,5]	O[5]	N[5,5]	4:2:2:3:	4:3:	4:4:4:4:	N[5,5]-4:O[5]-2:O[5]-2:C-3:	B[5,5]-4:C[5]-3:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CCH)	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]O)	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3)	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CCH){2|O<1>,4|H<1>}	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]O){1|C<3>,2|C<4>,2|H<1>}	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3){2|O<1>}	100.9664	1.683	6	100.9664	2.832	6	101.5454	2.243	22	101.5254	2.196	24	101.3825	2.148	116	101.3334	2.189	119
786	976	999	5:SP3_SP2_SP3	B[5,5]	O[5]	N[5,5]	4:2:2:3:	4:3:	4:4:4:4:	N[5,5]-4:O[5]-2:O[5]-2:C-3:	B[5,5]-4:C[5]-3:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CCI)	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]O)	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3)	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CCI){2|O<1>,4|H<1>}	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]O){1|C<3>,2|C<4>,2|H<1>}	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3){2|O<1>}	102.0422	1.074	4	102.0422	1.153	4	101.5454	2.243	22	101.5254	2.196	24	101.3825	2.148	116	101.3334	2.189	119
786	976	999	5:SP3_SP2_SP3	B[5,5]	O[5]	N[5,5]	4:2:2:3:	4:3:	4:4:4:4:	N[5,5]-4:O[5]-2:O[5]-2:C-3:	B[5,5]-4:C[5]-3:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CCO)	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]O)	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3)	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CCO){2|O<1>,4|H<1>}	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]O){1|C<3>,2|C<4>,2|H<1>}	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3){2|O<1>}	102.1568	1.563	6	102.1568	2.445	6	101.5454	2.243	22	101.5254	2.196	24	101.3825	2.148	116	101.3334	2.189	119
786	976	999	5:SP3_SP2_SP3	B[5,5]	O[5]	N[5,5]	4:2:2:3:	4:3:	4:4:4:4:	N[5,5]-4:O[5]-2:O[5]-2:C-3:	B[5,5]-4:C[5]-3:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CC[5]H)	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]O)	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3)	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CC[5]H){2|O<1>,4|H<1>}	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]O){1|C<3>,2|C<4>,2|H<1>}	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3){2|O<1>}	101.4720	1.423	2	101.4720	2.024	2	101.5454	2.243	22	101.5254	2.196	24	101.3825	2.148	116	101.3334	2.189	119
786	976	999	5:SP3_SP2_SP3	B[5,5]	O[5]	N[5,5]	4:2:2:3:	4:3:	4:4:4:4:	N[5,5]-4:O[5]-2:O[5]-2:C-3:	B[5,5]-4:C[5]-3:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CC[6a]C)	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]O)	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3)	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CC[6a]C){2|O<1>,4|H<1>}	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]O){1|C<3>,2|C<4>,2|H<1>}	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3){2|O<1>}	100.3792	2.298	2	100.3792	5.280	2	101.5454	2.243	22	101.5254	2.196	24	101.3825	2.148	116	101.3334	2.189	119
786	976	999	5:SP3_SP2_SP3	B[5,5]	O[5]	N[5,5]	4:2:2:3:	4:3:	4:4:4:4:	N[5,5]-4:O[5]-2:O[5]-2:C-3:	B[5,5]-4:C[5]-3:	C[6,6]-4:B[5,5]-4:C[5]-4:C[5]-4:	B[5,5](N[5,5]C[6,6]C[5]2)(O[5]C[5])2(CCH)	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]O)	N[5,5](C[6,6]C[6,6]2H)(B[5,5]O[5]2C)(C[5]C[5]HH)2	B[5,5](N[5,5]C[6,6]C[5]2)(O[5]C[5])2(CCH){2|C<4>,2|O<1>,5|H<1>}	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]O){1|C<3>,2|C<4>,2|H<1>}	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>}	101.3055	1.821	2	101.3055	3.315	2	101.3055	3.315	2	101.5254	2.196	24	101.3825	2.148	116	101.3334	2.189	119
786	976	999	5:SP3_SP2_SP3	B[5,5]	O[5]	N[5,5]	4:2:2:4:	4:3:	4:4:4:4:	N[5,5]-4:O[5]-2:O[5]-2:C-4:	B[5,5]-4:C[5]-3:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CBrCH)	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]O)	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3)	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CBrCH){2|O<1>,4|H<1>}	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]O){1|C<3>,2|C<4>,2|H<1>}	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3){2|O<1>}	101.2830	1.739	2	101.2830	3.026	2	101.1126	2.074	12	101.1126	2.074	12	101.3825	2.148	116	101.3334	2.189	119
786	976	999	5:SP3_SP2_SP3	B[5,5]	O[5]	N[5,5]	4:2:2:4:	4:3:	4:4:4:4:	N[5,5]-4:O[5]-2:O[5]-2:C-4:	B[5,5]-4:C[5]-3:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CCHI)	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]O)	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3)	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CCHI){2|O<1>,4|H<1>}	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]O){1|C<3>,2|C<4>,2|H<1>}	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3){2|O<1>}	101.2072	1.216	6	101.2072	1.478	6	101.1126	2.074	12	101.1126	2.074	12	101.3825	2.148	116	101.3334	2.189	119
786	976	999	5:SP3_SP2_SP3	B[5,5]	O[5]	N[5,5]	4:2:2:4:	4:3:	4:4:4:4:	N[5,5]-4:O[5]-2:O[5]-2:C-4:	B[5,5]-4:C[5]-3:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CC[6]CH)	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]O)	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3)	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CC[6]CH){2|O<1>,4|H<1>}	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]O){1|C<3>,2|C<4>,2|H<1>}	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3){2|O<1>}	100.4321	2.572	2	100.4321	6.617	2	101.1126	2.074	12	101.1126	2.074	12	101.3825	2.148	116	101.3334	2.189	119
786	976	999	5:SP3_SP2_SP3	B[5,5]	O[5]	N[5,5]	4:2:2:4:	4:3:	4:4:4:4:	N[5,5]-4:O[5]-2:O[5]-2:C-4:	B[5,5]-4:C[5]-3:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CHHN)	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]O)	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3)	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CHHN){2|O<1>,4|H<1>}	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]O){1|C<3>,2|C<4>,2|H<1>}	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3){2|O<1>}	101.3391	2.154	2	101.3391	4.638	2	101.1126	2.074	12	101.1126	2.074	12	101.3825	2.148	116	101.3334	2.189	119
786	976	999	5:SP3_SP2_SP3	B[5,5]	O[5]	N[5,5]	4:3:2:2:	4:3:	4:4:4:4:	N[5,5]-4:C[6a]-3:O[5]-2:O[5]-2:	B[5,5]-4:C[5]-3:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	B[5,5](N[5,5]C[5]2C)(C[6a]C[6a]2)(O[5]C[5])2	O[5](B[5,5]N[5,5]C[6a]O[5])(C[5]C[5]O)	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(CCHH)	B[5,5](N[5,5]C[5]2C)(C[6a]C[6a]2)(O[5]C[5])2{2|C<3>,2|O<1>,6|H<1>}	O[5](B[5,5]N[5,5]C[6a]O[5])(C[5]C[5]O){2|C<4>,2|H<1>,3|C<3>}	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(CCHH){2|C<3>,2|O<1>}	100.7172	1.987	2	100.7172	3.947	2	101.0588	1.597	18	101.0588	1.597	18	101.3825	2.148	116	101.3334	2.189	119
786	976	999	5:SP3_SP2_SP3	B[5,5]	O[5]	N[5,5]	4:3:2:2:	4:3:	4:4:4:4:	N[5,5]-4:C[6a]-3:O[5]-2:O[5]-2:	B[5,5]-4:C[5]-3:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	B[5,5](N[5,5]C[5]2C)(C[6a]C[6a]2)(O[5]C[5])2	O[5](B[5,5]N[5,5]C[6a]O[5])(C[5]C[5]O)	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(CH3)	B[5,5](N[5,5]C[5]2C)(C[6a]C[6a]2)(O[5]C[5])2{1|Br<1>,2|C<3>,2|O<1>,5|H<1>}	O[5](B[5,5]N[5,5]C[6a]O[5])(C[5]C[5]O){2|C<4>,2|H<1>,3|C<3>}	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(CH3){2|C<3>,2|O<1>}	102.2825	0.279	2	101.1015	1.530	16	101.0588	1.597	18	101.0588	1.597	18	101.3825	2.148	116	101.3334	2.189	119
786	976	999	5:SP3_SP2_SP3	B[5,5]	O[5]	N[5,5]	4:3:2:2:	4:3:	4:4:4:4:	N[5,5]-4:C[6a]-3:O[5]-2:O[5]-2:	B[5,5]-4:C[5]-3:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	B[5,5](N[5,5]C[5]2C)(C[6a]C[6a]2)(O[5]C[5])2	O[5](B[5,5]N[5,5]C[6a]O[5])(C[5]C[5]O)	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(CH3)	B[5,5](N[5,5]C[5]2C)(C[6a]C[6a]2)(O[5]C[5])2{1|C<3>,1|C<4>,1|N<2>,2|O<1>,5|H<1>}	O[5](B[5,5]N[5,5]C[6a]O[5])(C[5]C[5]O){2|C<4>,2|H<1>,3|C<3>}	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(CH3){2|C<3>,2|O<1>}	100.7125	2.235	2	101.1015	1.530	16	101.0588	1.597	18	101.0588	1.597	18	101.3825	2.148	116	101.3334	2.189	119
786	976	999	5:SP3_SP2_SP3	B[5,5]	O[5]	N[5,5]	4:3:2:2:	4:3:	4:4:4:4:	N[5,5]-4:C[6a]-3:O[5]-2:O[5]-2:	B[5,5]-4:C[5]-3:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	B[5,5](N[5,5]C[5]2C)(C[6a]C[6a]2)(O[5]C[5])2	O[5](B[5,5]N[5,5]C[6a]O[5])(C[5]C[5]O)	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(CH3)	B[5,5](N[5,5]C[5]2C)(C[6a]C[6a]2)(O[5]C[5])2{1|F<1>,2|C<3>,2|O<1>,5|H<1>}	O[5](B[5,5]N[5,5]C[6a]O[5])(C[5]C[5]O){2|C<4>,2|H<1>,3|C<3>}	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(CH3){2|C<3>,2|O<1>}	100.7112	1.278	2	101.1015	1.530	16	101.0588	1.597	18	101.0588	1.597	18	101.3825	2.148	116	101.3334	2.189	119
786	976	999	5:SP3_SP2_SP3	B[5,5]	O[5]	N[5,5]	4:3:2:2:	4:3:	4:4:4:4:	N[5,5]-4:C[6a]-3:O[5]-2:O[5]-2:	B[5,5]-4:C[5]-3:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	B[5,5](N[5,5]C[5]2C)(C[6a]C[6a]2)(O[5]C[5])2	O[5](B[5,5]N[5,5]C[6a]O[5])(C[5]C[5]O)	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(CH3)	B[5,5](N[5,5]C[5]2C)(C[6a]C[6a]2)(O[5]C[5])2{2|C<3>,2|O<1>,6|H<1>}	O[5](B[5,5]N[5,5]C[6a]O[5])(C[5]C[5]O){2|C<4>,2|H<1>,3|C<3>}	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(CH3){2|C<3>,2|O<1>}	101.0211	1.192	10	101.1015	1.530	16	101.0588	1.597	18	101.0588	1.597	18	101.3825	2.148	116	101.3334	2.189	119
786	976	999	5:SP3_SP2_SP3	B[5,5]	O[5]	N[5,5]	4:4:2:2:	4:3:	4:4:4:4:	C[5]-4:N[5,5]-4:O[5]-2:O[5]-2:	B[5,5]-4:C[5]-3:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	B[5,5](C[5]C[5]O[5]H)(N[5,5]C[5]2C)(O[5]C[5])2	O[5](B[5,5]N[5,5]C[5]O[5])(C[5]C[5]O)	N[5,5](B[5,5]C[5]O[5]2)(C[5]C[5]HH)2(CH3)	B[5,5](C[5]C[5]O[5]H)(N[5,5]C[5]2C)(O[5]C[5])2{2|C<4>,2|O<1>,6|H<1>}	O[5](B[5,5]N[5,5]C[5]O[5])(C[5]C[5]O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	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>}	101.7177	1.847	6	101.7177	3.411	6	101.7177	3.411	6	101.8411	2.045	26	101.3825	2.148	116	101.3334	2.189	119
786	976	999	5:SP3_SP2_SP3	B[5,5]	O[5]	N[5,5]	4:4:2:2:	4:3:	4:4:4:4:	C[6]-4:N[5,5]-4:O[5]-2:O[5]-2:	B[5,5]-4:C[5]-3:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	B[5,5](C[6]C[6]O[6]H)(N[5,5]C[5]2C)(O[5]C[5])2	O[5](B[5,5]N[5,5]C[6]O[5])(C[5]C[5]O)	N[5,5](B[5,5]C[6]O[5]2)(C[5]C[5]HH)2(CH3)	B[5,5](C[6]C[6]O[6]H)(N[5,5]C[5]2C)(O[5]C[5])2{2|C<4>,2|O<1>,6|H<1>}	O[5](B[5,5]N[5,5]C[6]O[5])(C[5]C[5]O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	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>}	100.9416	2.392	2	100.9416	5.722	2	100.9416	5.722	2	101.8411	2.045	26	101.3825	2.148	116	101.3334	2.189	119
786	976	999	5:SP3_SP2_SP3	B[5,5]	O[5]	N[5,5]	4:4:2:2:	4:3:	4:4:4:4:	N[5,5]-4:C-4:O[5]-2:O[5]-2:	B[5,5]-4:C[5]-3:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	B[5,5](N[5,5]C[5]2C)(CN[5a]HH)(O[5]C[5])2	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]O)	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3)	B[5,5](N[5,5]C[5]2C)(CN[5a]HH)(O[5]C[5])2{2|O<1>,4|H<1>}	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]O){1|C<3>,2|C<4>,2|H<1>}	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3){2|O<1>}	102.1145	1.356	4	102.1145	1.840	4	102.1145	1.840	4	101.8411	2.045	26	101.3825	2.148	116	101.3334	2.189	119
786	976	999	5:SP3_SP2_SP3	B[5,5]	O[5]	N[5,5]	4:4:2:2:	4:3:	4:4:4:4:	N[5,5]-4:C[3]-4:O[5]-2:O[5]-2:	B[5,5]-4:C[5]-3:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	B[5,5](N[5,5]C[5]2C)(C[3]C[3]2H)(O[5]C[5])2	O[5](B[5,5]N[5,5]C[3]O[5])(C[5]C[5]O)	N[5,5](B[5,5]C[3]O[5]2)(C[5]C[5]HH)2(CH3)	B[5,5](N[5,5]C[5]2C)(C[3]C[3]2H)(O[5]C[5])2{1|C<4>,2|O<1>,7|H<1>}	O[5](B[5,5]N[5,5]C[3]O[5])(C[5]C[5]O){1|C<3>,3|H<1>,4|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>}	101.9808	1.236	8	101.9808	1.528	8	101.9808	1.528	8	101.8411	2.045	26	101.3825	2.148	116	101.3334	2.189	119
786	976	999	5:SP3_SP2_SP3	B[5,5]	O[5]	N[5,5]	4:4:2:2:	4:3:	4:4:4:4:	N[5,5]-4:C[3]-4:O[5]-2:O[5]-2:	B[5,5]-4:C[5]-3:	B[5,5]-4:C[6,6]-4:C[5]-4:C[5]-4:	B[5,5](N[5,5]C[6,6]C[5]2)(C[3]C[3]O[3]H)(O[5]C[5])2	O[5](B[5,5]N[5,5]C[3]O[5])(C[5]C[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	B[5,5](N[5,5]C[6,6]C[5]2)(C[3]C[3]O[3]H)(O[5]C[5])2{1|C<3>,2|C<4>,2|O<1>,6|H<1>}	O[5](B[5,5]N[5,5]C[3]O[5])(C[5]C[5]O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	N[5,5](B[5,5]C[3]O[5]2)(C[6,6]C[6,6]2H)(C[5]C[5]HH)2{1|O<2>,2|O<1>,4|C<4>,4|H<1>}	101.9395	1.672	2	101.8960	1.988	6	101.8960	1.988	6	101.8411	2.045	26	101.3825	2.148	116	101.3334	2.189	119
786	976	999	5:SP3_SP2_SP3	B[5,5]	O[5]	N[5,5]	4:4:2:2:	4:3:	4:4:4:4:	N[5,5]-4:C[3]-4:O[5]-2:O[5]-2:	B[5,5]-4:C[5]-3:	B[5,5]-4:C[6,6]-4:C[5]-4:C[5]-4:	B[5,5](N[5,5]C[6,6]C[5]2)(C[3]C[3]O[3]H)(O[5]C[5])2	O[5](B[5,5]N[5,5]C[3]O[5])(C[5]C[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	B[5,5](N[5,5]C[6,6]C[5]2)(C[3]C[3]O[3]H)(O[5]C[5])2{2|C<4>,2|O<1>,7|H<1>}	O[5](B[5,5]N[5,5]C[3]O[5])(C[5]C[5]O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	N[5,5](B[5,5]C[3]O[5]2)(C[6,6]C[6,6]2H)(C[5]C[5]HH)2{1|O<2>,2|O<1>,4|C<4>,4|H<1>}	101.9425	1.921	2	101.8960	1.988	6	101.8960	1.988	6	101.8411	2.045	26	101.3825	2.148	116	101.3334	2.189	119
786	976	999	5:SP3_SP2_SP3	B[5,5]	O[5]	N[5,5]	4:4:2:2:	4:3:	4:4:4:4:	N[5,5]-4:C[3]-4:O[5]-2:O[5]-2:	B[5,5]-4:C[5]-3:	B[5,5]-4:C[6,6]-4:C[5]-4:C[5]-4:	B[5,5](N[5,5]C[6,6]C[5]2)(C[3]C[3]O[3]H)(O[5]C[5])2	O[5](B[5,5]N[5,5]C[3]O[5])(C[5]C[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	B[5,5](N[5,5]C[6,6]C[5]2)(C[3]C[3]O[3]H)(O[5]C[5])2{2|O<1>,3|C<4>,6|H<1>}	O[5](B[5,5]N[5,5]C[3]O[5])(C[5]C[5]O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	N[5,5](B[5,5]C[3]O[5]2)(C[6,6]C[6,6]2H)(C[5]C[5]HH)2{1|O<2>,2|O<1>,4|C<4>,4|H<1>}	101.8060	1.851	2	101.8960	1.988	6	101.8960	1.988	6	101.8411	2.045	26	101.3825	2.148	116	101.3334	2.189	119
786	976	999	5:SP3_SP2_SP3	B[5,6]	O[5]	N[5]	4:4:4:2:	4:3:	4:4:1:1:	C[6]-4:C[6]-4:N[5]-4:O[5]-2:	B[5,6]-4:C[5]-3:	B[5,6]-4:C[5]-4:H-1:H-1:	B[5,6](C[6]C[6]CH)2(N[5]C[5]HH)(O[5]C[5])	O[5](B[5,6]C[6]2N[5])(C[5]C[5]O)	N[5](B[5,6]C[6]2O[5])(C[5]C[5]CH)(H)2	B[5,6](C[6]C[6]CH)2(N[5]C[5]HH)(O[5]C[5]){1|C<4>,1|N<3>,1|O<1>,5|H<1>}	O[5](B[5,6]C[6]2N[5])(C[5]C[5]O){5|C<4>,5|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>}	99.6256	0.000	1	99.6256	0.000	1	99.6256	0.000	1	99.6256	0.000	1	99.6256	0.000	1	101.3334	2.189	119
786	976	999	5:SP3_SP3_SP3	B[3x5]	O[5]	N[3x5]	4:2:2:2:	4:4:	4:4:4:4:	N[3x5]-4:O[5]-2:O[5]-2:O[5]-2:	B[3x5]-4:C[5]-4:	B[3x5]-4:C[5]-4:C[5]-4:C[5]-4:	B[3x5](N[3x5]C[5]3)(O[5]C[5])3	O[5](B[3x5]N[3x5]O[5]2)(C[5]C[5]HH)	N[3x5](B[3x5]O[5]3)(C[5]C[5]HH)3	B[3x5](N[3x5]C[5]3)(O[5]C[5])3{12|H<1>}	O[5](B[3x5]N[3x5]O[5]2)(C[5]C[5]HH){2|H<1>,4|C<4>}	N[3x5](B[3x5]O[5]3)(C[5]C[5]HH)3{6|H<1>}	103.1260	0.139	3	103.1260	0.019	3	103.1260	0.019	3	103.1260	0.019	3	103.1260	0.019	3	100.8326	2.897	44
786	976	999	5:SP3_SP3_SP3	B[5,5,6]	O[5]	N[5,5]	4:4:2:2:	4:4:	4:4:4:4:	N[5,6]-4:N[5,5]-4:O[6]-2:O[5]-2:	B[5,5,6]-4:C[5]-4:	B[5,5,6]-4:C[5]-4:C[5]-4:B-4:	B[5,5,6](N[5,6]B[6]C[5]C)(N[5,5]C[5]2B)(O[6]C[5,6])(O[5]C[5])	O[5](B[5,5,6]N[5,5]N[5,6]O[6])(C[5]C[5]HH)	N[5,5](B[5,5,6]N[5,6]O[5]O[6])(C[5]C[5]CH)(C[5]C[5]HH)(BH3)	B[5,5,6](N[5,6]B[6]C[5]C)(N[5,5]C[5]2B)(O[6]C[5,6])(O[5]C[5]){2|C<4>,2|N<3>,8|H<1>}	O[5](B[5,5,6]N[5,5]N[5,6]O[6])(C[5]C[5]HH){1|C<3>,1|H<1>,2|B<4>,4|C<4>}	N[5,5](B[5,5,6]N[5,6]O[5]O[6])(C[5]C[5]CH)(C[5]C[5]HH)(BH3){1|B<4>,1|C<3>,2|C<4>,3|H<1>}	106.8180	0.000	1	106.8180	0.000	1	106.8180	0.000	1	106.8180	0.000	1	106.8180	0.000	1	100.8326	2.897	44
786	976	999	5:SP3_SP3_SP3	B[5,5]	O[5]	N[3x5]	3:4:2:2:	4:4:	4:4:4:1:	C[5,6a]-3:N[3x5]-4:O[5]-2:O-2:	B[5,5]-4:C[5]-4:	B[5,5]-4:C[5,5]-4:C[5,5]-4:H-1:	B[5,5](C[5,6a]C[5,6a]C[6a])(N[3x5]C[5,5]2H)(O[5]C[5])(OH)	O[5](B[5,5]C[5,6a]N[3x5]O)(C[5]C[5,5]HH)	N[3x5](B[5,5]C[5,6a]O[5]O)(C[5,5]C[5,6a]O[5]C)(C[5,5]C[5]2C)(H)	B[5,5](C[5,6a]C[5,6a]C[6a])(N[3x5]C[5,5]2H)(O[5]C[5])(OH){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	O[5](B[5,5]C[5,6a]N[3x5]O)(C[5]C[5,5]HH){1|H<1>,2|C<3>,3|C<4>}	N[3x5](B[5,5]C[5,6a]O[5]O)(C[5,5]C[5,6a]O[5]C)(C[5,5]C[5]2C)(H){2|C<3>,4|H<1>}	99.8535	0.000	1	99.8535	0.000	1	100.2482	0.312	2	100.2482	0.312	2	100.2482	0.312	2	100.8326	2.897	44
786	976	999	5:SP3_SP3_SP3	B[5,5]	O[5]	N[3x5]	3:4:2:2:	4:4:	4:4:4:1:	C[5,6a]-3:N[3x5]-4:O[5]-2:O-2:	B[5,5]-4:C[5]-4:	B[5,5]-4:C[5,5]-4:C[5,5]-4:H-1:	B[5,5](C[5,6a]C[5,6a]C[6a])(N[3x5]C[5,5]2H)(O[5]C[5])(OH)	O[5](B[5,5]C[5,6a]N[3x5]O)(C[5]C[5,5]HH)	N[3x5](B[5,5]C[5,6a]O[5]O)(C[5,5]C[5,6a]O[5]H)(C[5,5]C[5]2C)(H)	B[5,5](C[5,6a]C[5,6a]C[6a])(N[3x5]C[5,5]2H)(O[5]C[5])(OH){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	O[5](B[5,5]C[5,6a]N[3x5]O)(C[5]C[5,5]HH){1|H<1>,2|C<3>,3|C<4>}	N[3x5](B[5,5]C[5,6a]O[5]O)(C[5,5]C[5,6a]O[5]H)(C[5,5]C[5]2C)(H){2|C<3>,4|H<1>}	100.6430	0.000	1	100.6430	0.000	1	100.2482	0.312	2	100.2482	0.312	2	100.2482	0.312	2	100.8326	2.897	44
786	976	999	5:SP3_SP3_SP3	B[5,5]	O[5]	N[5,5]	3:4:2:2:	4:4:	4:4:4:4:	C[6a]-3:N[5,5]-4:O[5]-2:O[5]-2:	B[5,5]-4:C[5]-4:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	B[5,5](C[6a]C[6a]N[6a])(N[5,5]C[5]2C)(O[5]C[5])2	O[5](B[5,5]N[5,5]C[6a]O[5])(C[5]C[5]HH)	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(CH3)	B[5,5](C[6a]C[6a]N[6a])(N[5,5]C[5]2C)(O[5]C[5])2{2|C<3>,9|H<1>}	O[5](B[5,5]N[5,5]C[6a]O[5])(C[5]C[5]HH){1|C<3>,1|N<2>,2|H<1>,3|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>,4|H<1>}	101.4915	0.370	2	101.4915	0.137	2	101.4915	0.137	2	101.4915	0.137	2	100.6802	1.836	33	100.8326	2.897	44
786	976	999	5:SP3_SP3_SP3	B[5,5]	O[5]	N[5,5]	4:2:2:3:	4:4:	4:4:4:1:	N[5,5]-4:O[5]-2:O[5]-2:C-3:	B[5,5]-4:C[5]-4:	B[5,5]-4:C[5]-4:C[5]-4:H-1:	B[5,5](N[5,5]C[5]2H)(O[5]C[5])2(CCH)	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]HH)	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(H)	B[5,5](N[5,5]C[5]2H)(O[5]C[5])2(CCH){8|H<1>}	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]HH){2|C<4>,3|H<1>}	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(H){4|H<1>}	101.3300	1.071	4	101.3300	1.147	4	101.3300	1.147	4	101.3300	1.147	4	100.6802	1.836	33	100.8326	2.897	44
786	976	999	5:SP3_SP3_SP3	B[5,5]	O[5]	N[5,5]	4:2:2:3:	4:4:	4:4:4:4:	N[5,5]-4:O[5]-2:O[5]-2:C-3:	B[5,5]-4:C[5]-4:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CCC)	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[6a]C[5]H)	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CCHH)	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CCC){2|C<3>,6|H<1>}	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[6a]C[5]H){2|C<3>,2|H<1>,3|C<4>}	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CCHH){2|C<3>,2|H<1>}	99.3658	0.898	2	99.3658	0.807	2	99.5245	0.912	8	99.5245	0.912	8	100.6802	1.836	33	100.8326	2.897	44
786	976	999	5:SP3_SP3_SP3	B[5,5]	O[5]	N[5,5]	4:2:2:3:	4:4:	4:4:4:4:	N[5,5]-4:O[5]-2:O[5]-2:C-3:	B[5,5]-4:C[5]-4:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CCC)	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[6a]C[5]H)	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CC[6a]HH)	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CCC){2|C<3>,6|H<1>}	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[6a]C[5]H){2|C<3>,2|H<1>,3|C<4>}	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CC[6a]HH){2|C<3>,2|H<1>}	99.5774	1.050	6	99.5774	1.102	6	99.5245	0.912	8	99.5245	0.912	8	100.6802	1.836	33	100.8326	2.897	44
786	976	999	5:SP3_SP3_SP3	B[5,5]	O[5]	N[5,5]	4:2:2:4:	4:4:	4:4:4:1:	N[5,5]-4:O[5]-2:O[5]-2:C-4:	B[5,5]-4:C[5]-4:	B[5,5]-4:C[5]-4:C[5]-4:H-1:	B[5,5](N[5,5]C[5]2H)(O[5]C[5])2(CCHH)	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]HH)	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(H)	B[5,5](N[5,5]C[5]2H)(O[5]C[5])2(CCHH){8|H<1>}	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]HH){2|C<4>,3|H<1>}	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(H){4|H<1>}	101.6060	0.897	4	101.6060	0.805	4	101.6060	0.805	4	101.6060	0.805	4	100.6802	1.836	33	100.8326	2.897	44
786	976	999	5:SP3_SP3_SP3	B[5,5]	O[5]	N[5,5]	4:3:2:2:	4:4:	4:4:4:1:	N[5,5]-4:B[5]-3:O[5]-2:O[5]-2:	B[5,5]-4:C[5]-4:	B[5,5]-4:C[5]-4:C[5]-4:H-1:	B[5,5](N[5,5]C[5]2H)(B[5]O[5]2)(O[5]C[5])2	O[5](B[5,5]N[5,5]B[5]O[5])(C[5]C[5]CH)	N[5,5](B[5,5]B[5]O[5]2)(C[5]C[5]HH)2(H)	B[5,5](N[5,5]C[5]2H)(B[5]O[5]2)(O[5]C[5])2{4|C<4>,6|H<1>}	O[5](B[5,5]N[5,5]B[5]O[5])(C[5]C[5]CH){2|C<4>,2|O<2>,3|H<1>}	N[5,5](B[5,5]B[5]O[5]2)(C[5]C[5]HH)2(H){2|C<4>,2|H<1>,2|O<2>}	100.5015	2.153	2	100.5015	4.636	2	100.5015	4.636	2	100.7528	1.369	6	100.6802	1.836	33	100.8326	2.897	44
786	976	999	5:SP3_SP3_SP3	B[5,5]	O[5]	N[5,5]	4:3:2:2:	4:4:	4:4:4:1:	N[5,5]-4:C[6a]-3:O[5]-2:O[5]-2:	B[5,5]-4:C[5]-4:	B[5,5]-4:C[5]-4:C[5]-4:H-1:	B[5,5](N[5,5]C[5]2H)(C[6a]C[6a]2)(O[5]C[5])2	O[5](B[5,5]N[5,5]C[6a]O[5])(C[5]C[5]HH)	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(H)	B[5,5](N[5,5]C[5]2H)(C[6a]C[6a]2)(O[5]C[5])2{10|H<1>,2|C<3>}	O[5](B[5,5]N[5,5]C[6a]O[5])(C[5]C[5]HH){2|C<3>,2|C<4>,3|H<1>}	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(H){2|C<3>,4|H<1>}	100.8785	0.820	4	100.8785	0.673	4	100.8785	0.673	4	100.7528	1.369	6	100.6802	1.836	33	100.8326	2.897	44
786	976	999	5:SP3_SP3_SP3	B[5,5]	O[5]	N[5,5]	4:3:2:2:	4:4:	4:4:4:4:	N[5,5]-4:C[5a]-3:O[5]-2:O[5]-2:	B[5,5]-4:C[5]-4:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	B[5,5](N[5,5]C[5]2C)(C[5a]C[5a]2)(O[5]C[5])2	O[5](B[5,5]N[5,5]C[5a]O[5])(C[5]C[5]HH)	N[5,5](B[5,5]C[5a]O[5]2)(C[5]C[5]HH)2(CCHH)	B[5,5](N[5,5]C[5]2C)(C[5a]C[5a]2)(O[5]C[5])2{1|Si<4>,1|C<3>,1|S<2>,9|H<1>}	O[5](B[5,5]N[5,5]C[5a]O[5])(C[5]C[5]HH){2|C<3>,2|H<1>,3|C<4>}	N[5,5](B[5,5]C[5a]O[5]2)(C[5]C[5]HH)2(CCHH){2|C<3>,4|H<1>}	100.9140	0.000	1	100.9140	0.000	1	100.9140	0.000	1	100.0469	0.601	7	100.6802	1.836	33	100.8326	2.897	44
786	976	999	5:SP3_SP3_SP3	B[5,5]	O[5]	N[5,5]	4:3:2:2:	4:4:	4:4:4:4:	N[5,5]-4:C[6a]-3:O[5]-2:O[5]-2:	B[5,5]-4:C[5]-4:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	B[5,5](N[5,5]C[5]2C)(C[6a]C[6a]2)(O[5]C[5])2	O[5](B[5,5]N[5,5]C[6a]O[5])(C[5]C[5]HH)	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(CC3)	B[5,5](N[5,5]C[5]2C)(C[6a]C[6a]2)(O[5]C[5])2{10|H<1>,2|C<3>}	O[5](B[5,5]N[5,5]C[6a]O[5])(C[5]C[5]HH){2|C<3>,2|H<1>,3|C<4>}	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(CC3){2|C<3>,4|H<1>}	99.5563	0.515	4	99.5563	0.265	4	99.9024	0.546	6	100.0469	0.601	7	100.6802	1.836	33	100.8326	2.897	44
786	976	999	5:SP3_SP3_SP3	B[5,5]	O[5]	N[5,5]	4:3:2:2:	4:4:	4:4:4:4:	N[5,5]-4:C[6a]-3:O[5]-2:O[5]-2:	B[5,5]-4:C[5]-4:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	B[5,5](N[5,5]C[5]2C)(C[6a]C[6a]2)(O[5]C[5])2	O[5](B[5,5]N[5,5]C[6a]O[5])(C[5]C[5]HH)	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(CH3)	B[5,5](N[5,5]C[5]2C)(C[6a]C[6a]2)(O[5]C[5])2{10|H<1>,2|C<3>}	O[5](B[5,5]N[5,5]C[6a]O[5])(C[5]C[5]HH){2|C<3>,2|H<1>,3|C<4>}	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(CH3){2|C<3>,4|H<1>}	100.5945	0.704	2	100.5945	0.495	2	99.9024	0.546	6	100.0469	0.601	7	100.6802	1.836	33	100.8326	2.897	44
786	976	999	5:SP3_SP3_SP3	B[5,5]	O[5]	N[5,5]	4:4:2:2:	4:4:	4:4:4:1:	N[5,5]-4:N[5,5]-4:O[5]-2:O[5]-2:	B[5,5]-4:C[5]-4:	B[5,5]-4:C[5,5]-4:C[5]-4:H-1:	B[5,5](N[5,5]C[5,5]C[5]B)(N[5,5]C[5,5]C[5]H)(O[5]C[5])2	O[5](B[5,5]N[5,5]2O[5])(C[5]C[5,5]C[6a]2)	N[5,5](B[5,5]N[5,5]O[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	B[5,5](N[5,5]C[5,5]C[5]B)(N[5,5]C[5,5]C[5]H)(O[5]C[5])2{4|C<3>,4|C<4>,6|H<1>}	O[5](B[5,5]N[5,5]2O[5])(C[5]C[5,5]C[6a]2){1|B<4>,2|H<1>,4|C<3>,5|C<4>}	N[5,5](B[5,5]N[5,5]O[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)(H){1|B<4>,2|C<3>,3|C<4>,4|H<1>}	102.3830	0.000	1	102.3830	0.000	1	102.3830	0.000	1	102.3830	0.000	1	100.6802	1.836	33	100.8326	2.897	44
786	976	999	5:SP3_SP3_SP3	B[5,5]	O[5]	N[5,5]	4:4:2:2:	4:4:	4:4:4:4:	N[5,5]-4:N[5,5]-4:O[5]-2:O[5]-2:	B[5,5]-4:C[5]-4:	B[5,5]-4:C[5,5]-4:C[5]-4:B-4:	B[5,5](N[5,5]C[5,5]C[5]B)(N[5,5]C[5,5]C[5]H)(O[5]C[5])2	O[5](B[5,5]N[5,5]2O[5])(C[5]C[5,5]C[6a]2)	N[5,5](B[5,5]N[5,5]O[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)(BH3)	B[5,5](N[5,5]C[5,5]C[5]B)(N[5,5]C[5,5]C[5]H)(O[5]C[5])2{4|C<3>,4|C<4>,6|H<1>}	O[5](B[5,5]N[5,5]2O[5])(C[5]C[5,5]C[6a]2){1|B<4>,2|H<1>,4|C<3>,5|C<4>}	N[5,5](B[5,5]N[5,5]O[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)(BH3){2|C<3>,3|C<4>,5|H<1>}	104.2970	0.000	1	104.2970	0.000	1	104.2970	0.000	1	104.2970	0.000	1	100.6802	1.836	33	100.8326	2.897	44
786	976	999	5:SP3_SP3_SP3	B[5,5]	O[5]	N[5]	3:4:2:2:	4:4:	4:4:4:4:	C[5,6a]-3:N[5]-4:O[5]-2:O[5]-2:	B[5,5]-4:C[5]-4:	B[5,5]-4:C[5]-4:C-4:C-4:	B[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(O[5]Si[5])(O[5]C[5])	O[5](B[5,5]C[5,6a]N[5]O[5])(C[5]C[5]HH)	N[5](B[5,5]C[5,6a]O[5]2)(C[5]C[5]HH)(CH3)2	B[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(O[5]Si[5])(O[5]C[5]){2|C<3>,2|C<4>,5|H<1>}	O[5](B[5,5]C[5,6a]N[5]O[5])(C[5]C[5]HH){1|Si<4>,2|C<3>,2|C<4>,2|H<1>}	N[5](B[5,5]C[5,6a]O[5]2)(C[5]C[5]HH)(CH3)2{1|Si<4>,2|C<3>,2|H<1>}	98.8552	0.283	2	98.8552	0.080	2	98.8552	0.080	2	98.8552	0.080	2	98.8281	0.042	3	100.8326	2.897	44
786	976	999	5:SP3_SP3_SP3	B[5,5]	O[5]	N[5]	4:2:2:2:	4:4:	4:4:4:4:	N[5]-4:O[5]-2:O[5]-2:O[5]-2:	B[5,5]-4:C[5]-4:	B[5,5]-4:C[5]-4:C-4:C-4:	B[5,5](N[5]C[5]CC)(O[5]C[5])3	O[5](B[5,5]N[5]O[5]2)(C[5]C[5]CH)	N[5](B[5,5]O[5]3)(C[5]C[5]HH)(CH3)2	B[5,5](N[5]C[5]CC)(O[5]C[5])3{1|C<4>,2|C<3>,5|H<1>}	O[5](B[5,5]N[5]O[5]2)(C[5]C[5]CH){2|H<1>,4|C<4>}	N[5](B[5,5]O[5]3)(C[5]C[5]HH)(CH3)2{1|H<1>,3|C<4>}	98.7737	0.000	1	98.7737	0.000	1	98.7737	0.000	1	98.7737	0.000	1	98.8281	0.042	3	100.8326	2.897	44
786	976	999	5:SP3_SP3_SP3	B[5]	O[5]	N[5]	3:3:4:2:	4:4:	4:4:1:1:	C[5a]-3:C[5a]-3:N[5]-4:O[5]-2:	B[5]-4:C[5]-4:	B[5]-4:C[5]-4:H-1:H-1:	B[5](C[5a]C[5a]S[5a])2(N[5]C[5]HH)(O[5]C[5])	O[5](B[5]C[5a]2N[5])(C[5]C[5]HH)	N[5](B[5]C[5a]2O[5])(C[5]C[5]HH)(H)2	B[5](C[5a]C[5a]S[5a])2(N[5]C[5]HH)(O[5]C[5]){4|C<3>,6|H<1>}	O[5](B[5]C[5a]2N[5])(C[5]C[5]HH){2|C<3>,2|S<2>,4|H<1>}	N[5](B[5]C[5a]2O[5])(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>,2|S<2>}	100.6910	0.000	1	100.6910	0.000	1	100.6910	0.000	1	100.5045	0.070	2	100.5045	0.070	2	100.8326	2.897	44
786	976	999	5:SP3_SP3_SP3	B[5]	O[5]	N[5]	3:3:4:2:	4:4:	4:4:1:1:	C[5a]-3:C[6a]-3:N[5]-4:O[5]-2:	B[5]-4:C[5]-4:	B[5]-4:C[5]-4:H-1:H-1:	B[5](C[5a]C[5a]S[5a])(C[6a]C[6a]2)(N[5]C[5]HH)(O[5]C[5])	O[5](B[5]C[5a]C[6a]N[5])(C[5]C[5]HH)	N[5](B[5]C[5a]C[6a]O[5])(C[5]C[5]HH)(H)2	B[5](C[5a]C[5a]S[5a])(C[6a]C[6a]2)(N[5]C[5]HH)(O[5]C[5]){4|C<3>,7|H<1>}	O[5](B[5]C[5a]C[6a]N[5])(C[5]C[5]HH){1|S<2>,3|C<3>,4|H<1>}	N[5](B[5]C[5a]C[6a]O[5])(C[5]C[5]HH)(H)2{1|S<2>,2|H<1>,3|C<3>}	100.3180	0.000	1	100.3180	0.000	1	100.3180	0.000	1	100.5045	0.070	2	100.5045	0.070	2	100.8326	2.897	44
786	983	983	0:SP3_SP1_SP1	B[5]	C	C	4:2:2:2:	4:1:	4:1:	N[3,5]-4:O[5]-2:C-2:C-2:	B[5]-4:N-1:	B[5]-4:N-1:	B[5](N[3,5]C[3,5]C[3]C)(O[5]C[5])(CN)2	C(B[5]N[3,5]O[5]C)(N)	C(B[5]N[3,5]O[5]C)(N)	B[5](N[3,5]C[3,5]C[3]C)(O[5]C[5])(CN)2{5|H<1>}	C(B[5]N[3,5]O[5]C)(N)	C(B[5]N[3,5]O[5]C)(N)	109.5860	0.000	1	109.5860	0.000	1	109.5860	0.000	1	109.5860	0.000	1	109.5860	0.000	1	109.5860	0.000	1
786	983	997	0:SP3_SP1_SP3	B[5]	C	Se[5]	3:2:2:2:	4:1:	4:2:	C[5]-3:Se[5]-2:Se[5]-2:C-2:	B[5]-4:N-1:	B[5]-4:Se[5]-2:	B[5](C[5]C[5]N[5])(Se[5]Se[5])(Se[5]B[5])(CN)	C(B[5]Se[5]2C[5])(N)	Se[5](B[5]Se[5]C[5]C)(Se[5]B[5])	B[5](C[5]C[5]N[5])(Se[5]Se[5])(Se[5]B[5])(CN){1|C<2>,2|C<3>,4|C<4>}	C(B[5]Se[5]2C[5])(N)	Se[5](B[5]Se[5]C[5]C)(Se[5]B[5]){1|C<2>,1|C<3>,1|C<4>,1|N<3>}	107.6000	0.000	1	107.6000	0.000	1	107.6000	0.000	1	107.6000	0.000	1	107.3245	0.152	2	107.3245	0.152	2
786	983	997	0:SP3_SP1_SP3	B[5]	C	Se[5]	3:2:2:2:	4:1:	4:4:	C[5]-3:Se[5]-2:Se[5]-2:C-2:	B[5]-4:N-1:	B[5]-4:B[5]-4:	B[5](C[5]C[5]N[5])(Se[5]Se[5])(Se[5]B[5])(CN)	C(B[5]Se[5]2C[5])(N)	Se[5](B[5]Se[5]C[5]C)2	B[5](C[5]C[5]N[5])(Se[5]Se[5])(Se[5]B[5])(CN){1|C<2>,2|C<3>,4|C<4>}	C(B[5]Se[5]2C[5])(N)	Se[5](B[5]Se[5]C[5]C)2{2|C<4>,2|N<3>}	107.0490	0.000	1	107.0490	0.000	1	107.0490	0.000	1	107.0490	0.000	1	107.3245	0.152	2	107.3245	0.152	2
786	983	999	0:SP3_SP1_SP3	B[5,5]	C	N[5,5]	4:2:2:2:	4:2:	4:4:4:4:	N[5,5]-4:O[5]-2:O[5]-2:C-2:	B[5,5]-4:C-2:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CC)	C(B[5,5]N[5,5]O[5]2)(CH)	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3)	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CC){2|O<1>,4|H<1>}	C(B[5,5]N[5,5]O[5]2)(CH)	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3){2|O<1>}	115.3540	0.000	1	115.3540	0.000	1	114.1384	1.377	5	114.1384	1.377	5	114.1384	1.377	5	114.1384	1.377	5
786	983	999	0:SP3_SP1_SP3	B[5,5]	C	N[5,5]	4:2:2:2:	4:2:	4:4:4:4:	N[5,5]-4:O[5]-2:O[5]-2:C-2:	B[5,5]-4:C-2:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CC)	C(B[5,5]N[5,5]O[5]2)(CRu)	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3)	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CC){2|O<1>,4|H<1>}	C(B[5,5]N[5,5]O[5]2)(CRu)	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3){2|O<1>}	113.8345	1.105	4	113.8345	1.221	4	114.1384	1.377	5	114.1384	1.377	5	114.1384	1.377	5	114.1384	1.377	5
786	992	992	0:SP3_SP3_SP3	B[5]	P	P	3:3:4:4:	4:4:4:4:	4:4:4:4:	C[5,6a]-3:B[5]-3:P-4:P-4:	B[5]-4:C-4:C-4:C-4:	B[5]-4:C-4:C-4:C-4:	B[5](C[5,6a]C[5,6a,6a]C[6a,6a])(B[5]C[5,6a]C[6a])(PC3)2	P(B[5]C[5,6a]B[5]P)(CH3)3	P(B[5]C[5,6a]B[5]P)(CH3)3	B[5](C[5,6a]C[5,6a,6a]C[6a,6a])(B[5]C[5,6a]C[6a])(PC3)2{6|C<3>}	P(B[5]C[5,6a]B[5]P)(CH3)3	P(B[5]C[5,6a]B[5]P)(CH3)3	112.6730	0.000	1	112.6730	0.000	1	112.6730	0.000	1	112.6730	0.000	1	112.6730	0.000	1	112.6730	0.000	1
786	997	997	5:SP3_SP3_SP3	B[5]	Se[5]	Se[5]	3:2:2:2:	4:2:	4:4:	C[5]-3:Se[5]-2:Se[5]-2:C-2:	B[5]-4:Se[5]-2:	B[5]-4:B[5]-4:	B[5](C[5]C[5]N[5])(Se[5]Se[5])(Se[5]B[5])(CN)	Se[5](B[5]Se[5]C[5]C)(Se[5]B[5])	Se[5](B[5]Se[5]C[5]C)2	B[5](C[5]C[5]N[5])(Se[5]Se[5])(Se[5]B[5])(CN){1|C<2>,2|C<3>,4|C<4>}	Se[5](B[5]Se[5]C[5]C)(Se[5]B[5]){1|C<2>,1|C<3>,1|C<4>,1|N<3>}	Se[5](B[5]Se[5]C[5]C)2{2|C<4>,2|N<3>}	109.3700	0.000	1	109.3700	0.000	1	109.3700	0.000	1	109.3700	0.000	1	109.3700	0.000	1	109.3700	0.000	1
786	999	999	0:SP3_SP3_SP3	B[5,5]	N[5,5]	N[5,5]	4:4:2:2:	4:4:4:1:	4:4:4:4:	N[5,5]-4:N[5,5]-4:O[5]-2:O[5]-2:	B[5,5]-4:C[5,5]-4:C[5]-4:H-1:	B[5,5]-4:C[5,5]-4:C[5]-4:B-4:	B[5,5](N[5,5]C[5,5]C[5]B)(N[5,5]C[5,5]C[5]H)(O[5]C[5])2	N[5,5](B[5,5]N[5,5]O[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	N[5,5](B[5,5]N[5,5]O[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)(BH3)	B[5,5](N[5,5]C[5,5]C[5]B)(N[5,5]C[5,5]C[5]H)(O[5]C[5])2{4|C<3>,4|C<4>,6|H<1>}	N[5,5](B[5,5]N[5,5]O[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)(H){1|B<4>,2|C<3>,3|C<4>,4|H<1>}	N[5,5](B[5,5]N[5,5]O[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)(BH3){2|C<3>,3|C<4>,5|H<1>}	110.3260	0.000	1	110.3260	0.000	1	110.3260	0.000	1	110.3260	0.000	1	110.3260	0.000	1	110.3260	0.000	1
786	999	999	5:SP3_SP3_SP3	B[5,5,6]	N[5,5,6]	N[5,5,6]	4:4:4:1:	4:4:4:1:	4:4:4:1:	N[5,5,6]-4:N[5,5,6]-4:C[5,6]-4:H-1:	B[5,5,6]-4:B[5,5,6]-4:C[5,6]-4:H-1:	B[5,5,6]-4:B[5,5,6]-4:C[5,6]-4:H-1:	B[5,5,6](N[5,5,6]B[5,5,6]C[5,6]H)2(C[5,6]N[5,5,6]HH)(H)	N[5,5,6](B[5,5,6]N[5,5,6]C[5,6]H)2(C[5,6]B[5,5,6]HH)(H)	N[5,5,6](B[5,5,6]N[5,5,6]C[5,6]H)2(C[5,6]B[5,5,6]HH)(H)	B[5,5,6](N[5,5,6]B[5,5,6]C[5,6]H)2(C[5,6]N[5,5,6]HH)(H){1|B<4>,1|C<4>,1|N<4>,7|H<1>}	N[5,5,6](B[5,5,6]N[5,5,6]C[5,6]H)2(C[5,6]B[5,5,6]HH)(H){1|B<4>,1|C<4>,1|N<4>,7|H<1>}	N[5,5,6](B[5,5,6]N[5,5,6]C[5,6]H)2(C[5,6]B[5,5,6]HH)(H){1|B<4>,1|C<4>,1|N<4>,7|H<1>}	101.3270	0.071	2	101.3270	0.005	2	101.3270	0.005	2	101.3270	0.005	2	101.3270	0.005	2	102.3043	2.868	3
786	999	999	5:SP3_SP3_SP3	B[5,5,6]	N[5,6]	N[5,5]	4:4:2:2:	4:4:4:4:	4:4:4:4:	N[5,6]-4:N[5,5]-4:O[6]-2:O[5]-2:	B[5,5,6]-4:B[6]-4:C[5]-4:C-4:	B[5,5,6]-4:C[5]-4:C[5]-4:B-4:	B[5,5,6](N[5,6]B[6]C[5]C)(N[5,5]C[5]2B)(O[6]C[5,6])(O[5]C[5])	N[5,6](B[5,5,6]N[5,5]O[5]O[6])(B[6]N[5,6]HH)(C[5]C[5]CH)(CH3)	N[5,5](B[5,5,6]N[5,6]O[5]O[6])(C[5]C[5]CH)(C[5]C[5]HH)(BH3)	B[5,5,6](N[5,6]B[6]C[5]C)(N[5,5]C[5]2B)(O[6]C[5,6])(O[5]C[5]){2|C<4>,2|N<3>,8|H<1>}	N[5,6](B[5,5,6]N[5,5]O[5]O[6])(B[6]N[5,6]HH)(C[5]C[5]CH)(CH3){1|B<4>,1|C<3>,2|H<1>,3|C<4>}	N[5,5](B[5,5,6]N[5,6]O[5]O[6])(C[5]C[5]CH)(C[5]C[5]HH)(BH3){1|B<4>,1|C<3>,2|C<4>,3|H<1>}	104.2590	0.000	1	104.2590	0.000	1	104.2590	0.000	1	104.2590	0.000	1	104.2590	0.000	1	102.3043	2.868	3
794	86	794	4:SPD5_SPD5_SPD5	C[4x4,5,5]	N[4,4]	C[4x4,6x5,6]	5:5:5:1:1:	5:5:4:4:1:	5:5:4:2:2:	C[4x4,6x5,6]-5:C[4x4,6x5,6]-5:N[4,4]-5:H-1:H-1:	C[4x4,5,5]-5:C[4x4,5,5]-5:C-4:C-4:H-1:	C[4x4,5,5]-5:C[4x4,5,5]-5:N[4,4,5,5]-4:H[3x5,6]-2:H[3x5,6]-2:	C[4x4,5,5](C[4x4,6x5,6]C[4x4,5,5]N[4,4,5,5]H[3x5,6]2)2(N[4,4]C[4x4,5,5]CCH)(H)2	N[4,4](C[4x4,5,5]C[4x4,6x5,6]2HH)2(CH3)2(H)	C[4x4,6x5,6](C[4x4,5,5]C[4x4,6x5,6]N[4,4]HH)2(N[4,4,5,5]C[4x4,6x5,6]CC)(H[3x5,6]H[3x5,6])2	C[4x4,5,5](C[4x4,6x5,6]C[4x4,5,5]N[4,4,5,5]H[3x5,6]2)2(N[4,4]C[4x4,5,5]CCH)(H)2{2|C<4>,2|H<1>}	N[4,4](C[4x4,5,5]C[4x4,6x5,6]2HH)2(CH3)2(H){1|N<4>,4|H<2>}	C[4x4,6x5,6](C[4x4,5,5]C[4x4,6x5,6]N[4,4]HH)2(N[4,4,5,5]C[4x4,6x5,6]CC)(H[3x5,6]H[3x5,6])2{1|H<1>,2|C<4>}	111.3270	5.414	2	111.3270	29.307	2	111.3270	29.307	2	111.3270	29.307	2	111.3270	29.307	2	111.3270	29.307	2
794	86	951	0:SPD5_SP-NON_SPD5	C[4x4,5,5]	N[4,4]	H	5:5:5:1:1:	5:5:4:4:1:	5:	C[4x4,6x5,6]-5:C[4x4,6x5,6]-5:N[4,4]-5:H-1:H-1:	C[4x4,5,5]-5:C[4x4,5,5]-5:C-4:C-4:H-1:	C[4x4,5,5]-5:	C[4x4,5,5](C[4x4,6x5,6]C[4x4,5,5]N[4,4,5,5]H[3x5,6]2)2(N[4,4]C[4x4,5,5]CCH)(H)2	N[4,4](C[4x4,5,5]C[4x4,6x5,6]2HH)2(CH3)2(H)	H(C[4x4,5,5]C[4x4,6x5,6]2N[4,4]H)	C[4x4,5,5](C[4x4,6x5,6]C[4x4,5,5]N[4,4,5,5]H[3x5,6]2)2(N[4,4]C[4x4,5,5]CCH)(H)2{2|C<4>,2|H<1>}	N[4,4](C[4x4,5,5]C[4x4,6x5,6]2HH)2(CH3)2(H){1|N<4>,4|H<2>}	H(C[4x4,5,5]C[4x4,6x5,6]2N[4,4]H)	108.6010	0.464	2	108.6010	0.215	2	108.6010	0.215	2	108.6010	0.215	2	108.6010	0.215	2	108.6010	0.215	2
794	238	398	0:SPD5_SP-NON_SPD7	C[6x4]	C[3x3,3x4]	H[3,3x4]	7:3:2:2:1:	6:7:7:5:6:6:3:	6:5:2:	C[3x3,3x4]-7:H[3,3x4]-3:H[3x4]-2:H[3x4]-2:H-1:	C[3,6x4]-6:C[4x3]-7:C[4x3]-7:C[6x4]-5:C[3x3]-6:C[3x3]-6:C[6a]-3:	C[3,6x4]-6:C[6x4]-5:H[3]-2:	C[6x4](C[3x3,3x4]C[3,6x4]C[3x3]2C[4x3]2C[6a])(H[3,3x4]C[3,6x4]H[3])(H[3x4]C[3,6x4])2(H)	C[3x3,3x4](C[3,6x4]H[3,3x4]H[3x4]2H[3]H)(C[4x3]C[3x3]C[4x3]H[3]2HH)2(C[6x4]H[3,3x4]H[3x4]2H)(C[3x3]C[4x3]H[3]2HH)2(C[6a]C[6a]2)	H[3,3x4](C[3,6x4]C[3x3,3x4]H[3x4]2H[3]H)(C[6x4]C[3x3,3x4]H[3x4]2H)(H[3]C[3,6x4])	C[6x4](C[3x3,3x4]C[3,6x4]C[3x3]2C[4x3]2C[6a])(H[3,3x4]C[3,6x4]H[3])(H[3x4]C[3,6x4])2(H){2|C<3>,4|H<2>,9|H<1>}	C[3x3,3x4](C[3,6x4]H[3,3x4]H[3x4]2H[3]H)(C[4x3]C[3x3]C[4x3]H[3]2HH)2(C[6x4]H[3,3x4]H[3x4]2H)(C[3x3]C[4x3]H[3]2HH)2(C[6a]C[6a]2){2|C<3>,2|H<1>}	H[3,3x4](C[3,6x4]C[3x3,3x4]H[3x4]2H[3]H)(C[6x4]C[3x3,3x4]H[3x4]2H)(H[3]C[3,6x4])	109.3940	0.000	1	109.3940	0.000	1	109.3940	0.000	1	109.3940	0.000	1	109.3940	0.000	1	109.3940	0.000	1
794	238	714	4:SPD5_SPD5_SPD7	C[4x4,5,5]	C[3x3,3x4,5,5]	S[4,5,5]	7:5:2:2:1:	6:6:5:6:2:2:1:	6:5:4:1:1:	C[3x3,3x4,5,5]-7:S[4,5,5]-5:H[4,4,5]-2:H[4,4,5]-2:H-1:	C[3,3x4,4x5]-6:C[3x3,4,5,5]-6:C[4x4,5,5]-5:C[4,5,5]-6:H[3]-2:H[3]-2:H-1:	C[3x3,4,5,5]-6:C[4x4,5,5]-5:C[5]-4:O-1:O-1:	C[4x4,5,5](C[3x3,3x4,5,5]C[3,3x4,4x5]C[3x3,4,5,5]C[4,5,5]H[3]2H)(S[4,5,5]C[3x3,4,5,5]C[5]OO)(H[4,4,5]C[3,3x4,4x5])2(H)	C[3x3,3x4,5,5](C[3,3x4,4x5]C[3x3,4,5,5]C[4,5,5]H[4,4,5]2H)(C[3x3,4,5,5]C[3,3x4,4x5]S[4,5,5]H[3]2H)(C[4x4,5,5]H[4,4,5]2S[4,5,5]H)(C[4,5,5]H[4,5]2H3)(H[3]C[3x3,4,5,5])2(H)	S[4,5,5](C[3x3,4,5,5]C[3x3,3x4,5,5]C[3,3x4,4x5]H[3]2H)(C[4x4,5,5]C[3x3,3x4,5,5]H[4,4,5]2H)(C[5]C[5]2H)(O)2	C[4x4,5,5](C[3x3,3x4,5,5]C[3,3x4,4x5]C[3x3,4,5,5]C[4,5,5]H[3]2H)(S[4,5,5]C[3x3,4,5,5]C[5]OO)(H[4,4,5]C[3,3x4,4x5])2(H){2|H<2>,3|C<4>,6|H<1>}	C[3x3,3x4,5,5](C[3,3x4,4x5]C[3x3,4,5,5]C[4,5,5]H[4,4,5]2H)(C[3x3,4,5,5]C[3,3x4,4x5]S[4,5,5]H[3]2H)(C[4x4,5,5]H[4,4,5]2S[4,5,5]H)(C[4,5,5]H[4,5]2H3)(H[3]C[3x3,4,5,5])2(H){1|C<4>,1|H<1>,2|O<1>}	S[4,5,5](C[3x3,4,5,5]C[3x3,3x4,5,5]C[3,3x4,4x5]H[3]2H)(C[4x4,5,5]C[3x3,3x4,5,5]H[4,4,5]2H)(C[5]C[5]2H)(O)2{1|C<6>,1|N<3>,4|C<4>,4|H<1>}	108.7310	0.000	1	108.7310	0.000	1	108.7310	0.000	1	108.7310	0.000	1	108.7310	0.000	1	108.7310	0.000	1
794	238	802	0:SPD5_SP-NON_SPD7	C[4x4,5,5]	C[3x3,3x4,5,5]	H[4,4,5]	7:5:2:2:1:	6:6:5:6:2:2:1:	6:5:	C[3x3,3x4,5,5]-7:S[4,5,5]-5:H[4,4,5]-2:H[4,4,5]-2:H-1:	C[3,3x4,4x5]-6:C[3x3,4,5,5]-6:C[4x4,5,5]-5:C[4,5,5]-6:H[3]-2:H[3]-2:H-1:	C[3,3x4,4x5]-6:C[4x4,5,5]-5:	C[4x4,5,5](C[3x3,3x4,5,5]C[3,3x4,4x5]C[3x3,4,5,5]C[4,5,5]H[3]2H)(S[4,5,5]C[3x3,4,5,5]C[5]OO)(H[4,4,5]C[3,3x4,4x5])2(H)	C[3x3,3x4,5,5](C[3,3x4,4x5]C[3x3,4,5,5]C[4,5,5]H[4,4,5]2H)(C[3x3,4,5,5]C[3,3x4,4x5]S[4,5,5]H[3]2H)(C[4x4,5,5]H[4,4,5]2S[4,5,5]H)(C[4,5,5]H[4,5]2H3)(H[3]C[3x3,4,5,5])2(H)	H[4,4,5](C[3,3x4,4x5]C[3x3,3x4,5,5]C[3x3,4,5,5]C[4,5,5]H[4,4,5]H)(C[4x4,5,5]C[3x3,3x4,5,5]H[4,4,5]S[4,5,5]H)	C[4x4,5,5](C[3x3,3x4,5,5]C[3,3x4,4x5]C[3x3,4,5,5]C[4,5,5]H[3]2H)(S[4,5,5]C[3x3,4,5,5]C[5]OO)(H[4,4,5]C[3,3x4,4x5])2(H){2|H<2>,3|C<4>,6|H<1>}	C[3x3,3x4,5,5](C[3,3x4,4x5]C[3x3,4,5,5]C[4,5,5]H[4,4,5]2H)(C[3x3,4,5,5]C[3,3x4,4x5]S[4,5,5]H[3]2H)(C[4x4,5,5]H[4,4,5]2S[4,5,5]H)(C[4,5,5]H[4,5]2H3)(H[3]C[3x3,4,5,5])2(H){1|C<4>,1|H<1>,2|O<1>}	H[4,4,5](C[3,3x4,4x5]C[3x3,3x4,5,5]C[3x3,4,5,5]C[4,5,5]H[4,4,5]H)(C[4x4,5,5]C[3x3,3x4,5,5]H[4,4,5]S[4,5,5]H)	112.0105	3.263	2	112.0105	10.649	2	112.0105	10.649	2	112.0105	10.649	2	112.0105	10.649	2	115.9293	51.396	3
794	238	802	0:SPD5_SP-NON_SPD7	C[6x4]	C[3x3,3x4]	H[3x4]	7:3:2:2:1:	6:7:7:5:6:6:3:	6:5:	C[3x3,3x4]-7:H[3,3x4]-3:H[3x4]-2:H[3x4]-2:H-1:	C[3,6x4]-6:C[4x3]-7:C[4x3]-7:C[6x4]-5:C[3x3]-6:C[3x3]-6:C[6a]-3:	C[3,6x4]-6:C[6x4]-5:	C[6x4](C[3x3,3x4]C[3,6x4]C[3x3]2C[4x3]2C[6a])(H[3,3x4]C[3,6x4]H[3])(H[3x4]C[3,6x4])2(H)	C[3x3,3x4](C[3,6x4]H[3,3x4]H[3x4]2H[3]H)(C[4x3]C[3x3]C[4x3]H[3]2HH)2(C[6x4]H[3,3x4]H[3x4]2H)(C[3x3]C[4x3]H[3]2HH)2(C[6a]C[6a]2)	H[3x4](C[3,6x4]C[3x3,3x4]H[3,3x4]H[3x4]H[3]H)(C[6x4]C[3x3,3x4]H[3,3x4]H[3x4]H)	C[6x4](C[3x3,3x4]C[3,6x4]C[3x3]2C[4x3]2C[6a])(H[3,3x4]C[3,6x4]H[3])(H[3x4]C[3,6x4])2(H){2|C<3>,4|H<2>,9|H<1>}	C[3x3,3x4](C[3,6x4]H[3,3x4]H[3x4]2H[3]H)(C[4x3]C[3x3]C[4x3]H[3]2HH)2(C[6x4]H[3,3x4]H[3x4]2H)(C[3x3]C[4x3]H[3]2HH)2(C[6a]C[6a]2){2|C<3>,2|H<1>}	H[3x4](C[3,6x4]C[3x3,3x4]H[3,3x4]H[3x4]H[3]H)(C[6x4]C[3x3,3x4]H[3,3x4]H[3x4]H)	123.7670	0.000	1	123.7670	0.000	1	123.7670	0.000	1	123.7670	0.000	1	123.7670	0.000	1	115.9293	51.396	3
794	238	846	4:SPD5_SP2_SPD7	C[4,4]	C[3x3,3x4]	C[3x4]	7:3:2:1:1:	5:5:5:2:2:2:1:	5:5:2:	C[3x3,3x4]-7:C[3x4]-3:O-2:H-1:H-1:	C[3,3,4,4]-5:C[4x3]-5:C[4,4]-5:H[4,4]-2:H[3]-2:H[3]-2:H-1:	C[3,3,4,4]-5:C[4,4]-5:H[4,4]-2:	C[4,4](C[3x3,3x4]C[3,3,4,4]C[4x3]H[4,4]H[3]2H)(C[3x4]C[3,3,4,4]H[4,4])(OC[6a])(H)2	C[3x3,3x4](C[3,3,4,4]C[3x4]C[4x3]H[3]H)(C[4x3]C[3,3,4,4]H[3]3)(C[4,4]C[3x4]HHO)(H[4,4]C[3x4])(H[3]C[4x3])2(H)	C[3x4](C[3,3,4,4]C[3x3,3x4]C[4x3]H[3]H)(C[4,4]C[3x3,3x4]HHO)(H[4,4]C[3x3,3x4])	C[4,4](C[3x3,3x4]C[3,3,4,4]C[4x3]H[4,4]H[3]2H)(C[3x4]C[3,3,4,4]H[4,4])(OC[6a])(H)2{1|H<1>,1|H<2>}	C[3x3,3x4](C[3,3,4,4]C[3x4]C[4x3]H[3]H)(C[4x3]C[3,3,4,4]H[3]3)(C[4,4]C[3x4]HHO)(H[4,4]C[3x4])(H[3]C[4x3])2(H)	C[3x4](C[3,3,4,4]C[3x3,3x4]C[4x3]H[3]H)(C[4,4]C[3x3,3x4]HHO)(H[4,4]C[3x3,3x4]){1|H<1>,2|H<2>}	22.9150	0.000	1	22.9150	0.000	1	22.9150	0.000	1	22.9150	0.000	1	22.9150	0.000	1	22.9150	0.000	1
794	238	893	0:SPD5_SP2_SPD7	C[4,4]	C[3x3,3x4]	O	7:3:2:1:1:	5:5:5:2:2:2:1:	5:3:	C[3x3,3x4]-7:C[3x4]-3:O-2:H-1:H-1:	C[3,3,4,4]-5:C[4x3]-5:C[4,4]-5:H[4,4]-2:H[3]-2:H[3]-2:H-1:	C[4,4]-5:C[6a]-3:	C[4,4](C[3x3,3x4]C[3,3,4,4]C[4x3]H[4,4]H[3]2H)(C[3x4]C[3,3,4,4]H[4,4])(OC[6a])(H)2	C[3x3,3x4](C[3,3,4,4]C[3x4]C[4x3]H[3]H)(C[4x3]C[3,3,4,4]H[3]3)(C[4,4]C[3x4]HHO)(H[4,4]C[3x4])(H[3]C[4x3])2(H)	O(C[4,4]C[3x3,3x4]C[3x4]HH)(C[6a]C[6a]2)	C[4,4](C[3x3,3x4]C[3,3,4,4]C[4x3]H[4,4]H[3]2H)(C[3x4]C[3,3,4,4]H[4,4])(OC[6a])(H)2{1|H<1>,1|H<2>}	C[3x3,3x4](C[3,3,4,4]C[3x4]C[4x3]H[3]H)(C[4x3]C[3,3,4,4]H[3]3)(C[4,4]C[3x4]HHO)(H[4,4]C[3x4])(H[3]C[4x3])2(H)	O(C[4,4]C[3x3,3x4]C[3x4]HH)(C[6a]C[6a]2)	109.6630	0.000	1	109.6630	0.000	1	109.6630	0.000	1	109.6630	0.000	1	109.6630	0.000	1	109.6630	0.000	1
794	238	951	0:SPD5_SP-NON_SPD7	C[4,4]	C[3x3,3x4]	H	7:3:2:1:1:	5:5:5:2:2:2:1:	5:	C[3x3,3x4]-7:C[3x4]-3:O-2:H-1:H-1:	C[3,3,4,4]-5:C[4x3]-5:C[4,4]-5:H[4,4]-2:H[3]-2:H[3]-2:H-1:	C[4,4]-5:	C[4,4](C[3x3,3x4]C[3,3,4,4]C[4x3]H[4,4]H[3]2H)(C[3x4]C[3,3,4,4]H[4,4])(OC[6a])(H)2	C[3x3,3x4](C[3,3,4,4]C[3x4]C[4x3]H[3]H)(C[4x3]C[3,3,4,4]H[3]3)(C[4,4]C[3x4]HHO)(H[4,4]C[3x4])(H[3]C[4x3])2(H)	H(C[4,4]C[3x3,3x4]C[3x4]HO)	C[4,4](C[3x3,3x4]C[3,3,4,4]C[4x3]H[4,4]H[3]2H)(C[3x4]C[3,3,4,4]H[4,4])(OC[6a])(H)2{1|H<1>,1|H<2>}	C[3x3,3x4](C[3,3,4,4]C[3x4]C[4x3]H[3]H)(C[4x3]C[3,3,4,4]H[3]3)(C[4,4]C[3x4]HHO)(H[4,4]C[3x4])(H[3]C[4x3])2(H)	H(C[4,4]C[3x3,3x4]C[3x4]HO)	108.9430	1.488	2	108.9430	2.213	2	108.9430	2.213	2	108.9430	2.213	2	108.9430	2.213	2	109.2665	0.878	4
794	238	951	0:SPD5_SP-NON_SPD7	C[4x4,5,5]	C[3x3,3x4,5,5]	H	7:5:2:2:1:	6:6:5:6:2:2:1:	5:	C[3x3,3x4,5,5]-7:S[4,5,5]-5:H[4,4,5]-2:H[4,4,5]-2:H-1:	C[3,3x4,4x5]-6:C[3x3,4,5,5]-6:C[4x4,5,5]-5:C[4,5,5]-6:H[3]-2:H[3]-2:H-1:	C[4x4,5,5]-5:	C[4x4,5,5](C[3x3,3x4,5,5]C[3,3x4,4x5]C[3x3,4,5,5]C[4,5,5]H[3]2H)(S[4,5,5]C[3x3,4,5,5]C[5]OO)(H[4,4,5]C[3,3x4,4x5])2(H)	C[3x3,3x4,5,5](C[3,3x4,4x5]C[3x3,4,5,5]C[4,5,5]H[4,4,5]2H)(C[3x3,4,5,5]C[3,3x4,4x5]S[4,5,5]H[3]2H)(C[4x4,5,5]H[4,4,5]2S[4,5,5]H)(C[4,5,5]H[4,5]2H3)(H[3]C[3x3,4,5,5])2(H)	H(C[4x4,5,5]C[3x3,3x4,5,5]H[4,4,5]2S[4,5,5])	C[4x4,5,5](C[3x3,3x4,5,5]C[3,3x4,4x5]C[3x3,4,5,5]C[4,5,5]H[3]2H)(S[4,5,5]C[3x3,4,5,5]C[5]OO)(H[4,4,5]C[3,3x4,4x5])2(H){2|H<2>,3|C<4>,6|H<1>}	C[3x3,3x4,5,5](C[3,3x4,4x5]C[3x3,4,5,5]C[4,5,5]H[4,4,5]2H)(C[3x3,4,5,5]C[3,3x4,4x5]S[4,5,5]H[3]2H)(C[4x4,5,5]H[4,4,5]2S[4,5,5]H)(C[4,5,5]H[4,5]2H3)(H[3]C[3x3,4,5,5])2(H){1|C<4>,1|H<1>,2|O<1>}	H(C[4x4,5,5]C[3x3,3x4,5,5]H[4,4,5]2S[4,5,5])	109.6180	0.000	1	109.6180	0.000	1	109.6180	0.000	1	109.6180	0.000	1	109.6180	0.000	1	109.2665	0.878	4
794	238	951	0:SPD5_SP-NON_SPD7	C[6x4]	C[3x3,3x4]	H	7:3:2:2:1:	6:7:7:5:6:6:3:	5:	C[3x3,3x4]-7:H[3,3x4]-3:H[3x4]-2:H[3x4]-2:H-1:	C[3,6x4]-6:C[4x3]-7:C[4x3]-7:C[6x4]-5:C[3x3]-6:C[3x3]-6:C[6a]-3:	C[6x4]-5:	C[6x4](C[3x3,3x4]C[3,6x4]C[3x3]2C[4x3]2C[6a])(H[3,3x4]C[3,6x4]H[3])(H[3x4]C[3,6x4])2(H)	C[3x3,3x4](C[3,6x4]H[3,3x4]H[3x4]2H[3]H)(C[4x3]C[3x3]C[4x3]H[3]2HH)2(C[6x4]H[3,3x4]H[3x4]2H)(C[3x3]C[4x3]H[3]2HH)2(C[6a]C[6a]2)	H(C[6x4]C[3x3,3x4]H[3,3x4]H[3x4]2)	C[6x4](C[3x3,3x4]C[3,6x4]C[3x3]2C[4x3]2C[6a])(H[3,3x4]C[3,6x4]H[3])(H[3x4]C[3,6x4])2(H){2|C<3>,4|H<2>,9|H<1>}	C[3x3,3x4](C[3,6x4]H[3,3x4]H[3x4]2H[3]H)(C[4x3]C[3x3]C[4x3]H[3]2HH)2(C[6x4]H[3,3x4]H[3x4]2H)(C[3x3]C[4x3]H[3]2HH)2(C[6a]C[6a]2){2|C<3>,2|H<1>}	H(C[6x4]C[3x3,3x4]H[3,3x4]H[3x4]2)	109.5620	0.000	1	109.5620	0.000	1	109.5620	0.000	1	109.5620	0.000	1	109.5620	0.000	1	109.2665	0.878	4
794	322	802	0:SPD5_SP-NON_SPD8	C[6x4]	C[3x4]	H[3x4]	8:3:2:2:1:	5:5:1:1:1:1:1:1:	5:5:	C[3x4]-8:O[3x4]-3:H[3x4]-2:H[3x4]-2:H-1:	C[6x4]-5:C[6x4]-5:H-1:H-1:H-1:H-1:H-1:H-1:	C[6x4]-5:C[6x4]-5:	C[6x4](C[3x4]C[6x4]H6)(O[3x4]C[6x4]C)(H[3x4]C[6x4])2(H)	C[3x4](C[6x4]H[3x4]2O[3x4]H)2(H)6	H[3x4](C[6x4]C[3x4]H[3x4]O[3x4]H)2	C[6x4](C[3x4]C[6x4]H6)(O[3x4]C[6x4]C)(H[3x4]C[6x4])2(H){1|H<1>}	C[3x4](C[6x4]H[3x4]2O[3x4]H)2(H)6{1|C<3>}	H[3x4](C[6x4]C[3x4]H[3x4]O[3x4]H)2	115.6732	6.321	4	115.6732	39.958	4	115.6732	39.958	4	115.6732	39.958	4	115.6732	39.958	4	115.6732	39.958	4
794	322	897	4:SPD5_SP3_SPD8	C[6x4]	C[3x4]	O[3x4]	8:3:2:2:1:	5:5:1:1:1:1:1:1:	5:5:3:	C[3x4]-8:O[3x4]-3:H[3x4]-2:H[3x4]-2:H-1:	C[6x4]-5:C[6x4]-5:H-1:H-1:H-1:H-1:H-1:H-1:	C[6x4]-5:C[6x4]-5:C-3:	C[6x4](C[3x4]C[6x4]H6)(O[3x4]C[6x4]C)(H[3x4]C[6x4])2(H)	C[3x4](C[6x4]H[3x4]2O[3x4]H)2(H)6	O[3x4](C[6x4]C[3x4]H[3x4]2H)2(CNO)	C[6x4](C[3x4]C[6x4]H6)(O[3x4]C[6x4]C)(H[3x4]C[6x4])2(H){1|H<1>}	C[3x4](C[6x4]H[3x4]2O[3x4]H)2(H)6{1|C<3>}	O[3x4](C[6x4]C[3x4]H[3x4]2H)2(CNO){6|H<1>}	107.0645	0.069	2	107.0645	0.005	2	107.0645	0.005	2	107.0645	0.005	2	107.0645	0.005	2	107.0645	0.005	2
794	322	951	0:SPD5_SP-NON_SPD8	C[6x4]	C[3x4]	H	8:3:2:2:1:	5:5:1:1:1:1:1:1:	5:	C[3x4]-8:O[3x4]-3:H[3x4]-2:H[3x4]-2:H-1:	C[6x4]-5:C[6x4]-5:H-1:H-1:H-1:H-1:H-1:H-1:	C[6x4]-5:	C[6x4](C[3x4]C[6x4]H6)(O[3x4]C[6x4]C)(H[3x4]C[6x4])2(H)	C[3x4](C[6x4]H[3x4]2O[3x4]H)2(H)6	H(C[6x4]C[3x4]H[3x4]2O[3x4])	C[6x4](C[3x4]C[6x4]H6)(O[3x4]C[6x4]C)(H[3x4]C[6x4])2(H){1|H<1>}	C[3x4](C[6x4]H[3x4]2O[3x4]H)2(H)6{1|C<3>}	H(C[6x4]C[3x4]H[3x4]2O[3x4])	112.0220	0.935	2	112.0220	0.874	2	112.0220	0.874	2	112.0220	0.874	2	112.0220	0.874	2	112.0220	0.874	2
794	398	802	0:SPD5_SP-NON_SP-NON	C[6x4]	H[3,3x4]	H[3x4]	7:3:2:2:1:	6:5:2:	6:5:	C[3x3,3x4]-7:H[3,3x4]-3:H[3x4]-2:H[3x4]-2:H-1:	C[3,6x4]-6:C[6x4]-5:H[3]-2:	C[3,6x4]-6:C[6x4]-5:	C[6x4](C[3x3,3x4]C[3,6x4]C[3x3]2C[4x3]2C[6a])(H[3,3x4]C[3,6x4]H[3])(H[3x4]C[3,6x4])2(H)	H[3,3x4](C[3,6x4]C[3x3,3x4]H[3x4]2H[3]H)(C[6x4]C[3x3,3x4]H[3x4]2H)(H[3]C[3,6x4])	H[3x4](C[3,6x4]C[3x3,3x4]H[3,3x4]H[3x4]H[3]H)(C[6x4]C[3x3,3x4]H[3,3x4]H[3x4]H)	C[6x4](C[3x3,3x4]C[3,6x4]C[3x3]2C[4x3]2C[6a])(H[3,3x4]C[3,6x4]H[3])(H[3x4]C[3,6x4])2(H){2|C<3>,4|H<2>,9|H<1>}	H[3,3x4](C[3,6x4]C[3x3,3x4]H[3x4]2H[3]H)(C[6x4]C[3x3,3x4]H[3x4]2H)(H[3]C[3,6x4])	H[3x4](C[3,6x4]C[3x3,3x4]H[3,3x4]H[3x4]H[3]H)(C[6x4]C[3x3,3x4]H[3,3x4]H[3x4]H)	103.2320	0.000	1	103.2320	0.000	1	103.2320	0.000	1	103.2320	0.000	1	103.2320	0.000	1	103.2320	0.000	1
794	398	951	0:SPD5_SP-NON_SP-NON	C[6x4]	H[3,3x4]	H	7:3:2:2:1:	6:5:2:	5:	C[3x3,3x4]-7:H[3,3x4]-3:H[3x4]-2:H[3x4]-2:H-1:	C[3,6x4]-6:C[6x4]-5:H[3]-2:	C[6x4]-5:	C[6x4](C[3x3,3x4]C[3,6x4]C[3x3]2C[4x3]2C[6a])(H[3,3x4]C[3,6x4]H[3])(H[3x4]C[3,6x4])2(H)	H[3,3x4](C[3,6x4]C[3x3,3x4]H[3x4]2H[3]H)(C[6x4]C[3x3,3x4]H[3x4]2H)(H[3]C[3,6x4])	H(C[6x4]C[3x3,3x4]H[3,3x4]H[3x4]2)	C[6x4](C[3x3,3x4]C[3,6x4]C[3x3]2C[4x3]2C[6a])(H[3,3x4]C[3,6x4]H[3])(H[3x4]C[3,6x4])2(H){2|C<3>,4|H<2>,9|H<1>}	H[3,3x4](C[3,6x4]C[3x3,3x4]H[3x4]2H[3]H)(C[6x4]C[3x3,3x4]H[3x4]2H)(H[3]C[3,6x4])	H(C[6x4]C[3x3,3x4]H[3,3x4]H[3x4]2)	109.4490	0.000	1	109.4490	0.000	1	109.4490	0.000	1	109.4490	0.000	1	109.4490	0.000	1	109.4490	0.000	1
794	426	794	4:SPD5_SPD5_SPD6	C[5x4]	C[5x4]	C[4,4]	6:5:2:2:2:	5:4:5:4:4:3:	5:4:2:1:1:	C[5x4]-6:C[4,4]-5:H[4,4]-2:H[4,4]-2:H[4]-2:	C[5x4]-5:C[3,3x4]-4:C[3,4,4]-5:C[3x4]-4:C-4:C-3:	C[5x4]-5:C[3,3x4]-4:H[4]-2:H-1:H-1:	C[5x4](C[5x4]C[3,3x4]C[3,4,4]C[3x4]CC)(C[4,4]C[3,3x4]H[4]HH)(H[4,4]C[3x4])2(H[4]H[4])	C[5x4](C[5x4]C[4,4]H[4,4]2H[4])(C[3,3x4]H[3,3,4]2C[4,4])(C[3,4,4]H[3,3,4]2HH)(C[3x4]H[4,4]2H)(CH3)(CNO)	C[4,4](C[5x4]C[5x4]H[4,4]2H[4])(C[3,3x4]H[3,3,4]2C[5x4])(H[4]H[4])(H)2	C[5x4](C[5x4]C[3,3x4]C[3,4,4]C[3x4]CC)(C[4,4]C[3,3x4]H[4]HH)(H[4,4]C[3x4])2(H[4]H[4]){2|H<3>,3|H<1>}	C[5x4](C[5x4]C[4,4]H[4,4]2H[4])(C[3,3x4]H[3,3,4]2C[4,4])(C[3,4,4]H[3,3,4]2HH)(C[3x4]H[4,4]2H)(CH3)(CNO){1|H<2>,2|H<1>}	C[4,4](C[5x4]C[5x4]H[4,4]2H[4])(C[3,3x4]H[3,3,4]2C[5x4])(H[4]H[4])(H)2{1|C<3>,1|C<5>,2|C<4>}	69.5101	0.000	1	69.5101	0.000	1	69.5101	0.000	1	69.5101	0.000	1	69.5101	0.000	1	69.5101	0.000	1
794	426	802	0:SPD5_SP-NON_SPD6	C[5x4]	C[5x4]	H[4,4]	6:5:2:2:2:	5:4:5:4:4:3:	5:4:	C[5x4]-6:C[4,4]-5:H[4,4]-2:H[4,4]-2:H[4]-2:	C[5x4]-5:C[3,3x4]-4:C[3,4,4]-5:C[3x4]-4:C-4:C-3:	C[5x4]-5:C[3x4]-4:	C[5x4](C[5x4]C[3,3x4]C[3,4,4]C[3x4]CC)(C[4,4]C[3,3x4]H[4]HH)(H[4,4]C[3x4])2(H[4]H[4])	C[5x4](C[5x4]C[4,4]H[4,4]2H[4])(C[3,3x4]H[3,3,4]2C[4,4])(C[3,4,4]H[3,3,4]2HH)(C[3x4]H[4,4]2H)(CH3)(CNO)	H[4,4](C[5x4]C[4,4]C[5x4]H[4,4]H[4])(C[3x4]C[5x4]H[4,4]H)	C[5x4](C[5x4]C[3,3x4]C[3,4,4]C[3x4]CC)(C[4,4]C[3,3x4]H[4]HH)(H[4,4]C[3x4])2(H[4]H[4]){2|H<3>,3|H<1>}	C[5x4](C[5x4]C[4,4]H[4,4]2H[4])(C[3,3x4]H[3,3,4]2C[4,4])(C[3,4,4]H[3,3,4]2HH)(C[3x4]H[4,4]2H)(CH3)(CNO){1|H<2>,2|H<1>}	H[4,4](C[5x4]C[4,4]C[5x4]H[4,4]H[4])(C[3x4]C[5x4]H[4,4]H)	102.3753	5.316	2	102.3753	28.255	2	102.3753	28.255	2	102.3753	28.255	2	102.3753	28.255	2	105.2656	39.188	3
794	426	802	0:SPD5_SP-NON_SPD6	C[5x4]	C[5x4]	H[4]	6:5:2:2:2:	5:4:5:4:4:3:	5:2:	C[5x4]-6:C[4,4]-5:H[4,4]-2:H[4,4]-2:H[4]-2:	C[5x4]-5:C[3,3x4]-4:C[3,4,4]-5:C[3x4]-4:C-4:C-3:	C[5x4]-5:H[4]-2:	C[5x4](C[5x4]C[3,3x4]C[3,4,4]C[3x4]CC)(C[4,4]C[3,3x4]H[4]HH)(H[4,4]C[3x4])2(H[4]H[4])	C[5x4](C[5x4]C[4,4]H[4,4]2H[4])(C[3,3x4]H[3,3,4]2C[4,4])(C[3,4,4]H[3,3,4]2HH)(C[3x4]H[4,4]2H)(CH3)(CNO)	H[4](C[5x4]C[4,4]C[5x4]H[4,4]2)(H[4]C[4,4])	C[5x4](C[5x4]C[3,3x4]C[3,4,4]C[3x4]CC)(C[4,4]C[3,3x4]H[4]HH)(H[4,4]C[3x4])2(H[4]H[4]){2|H<3>,3|H<1>}	C[5x4](C[5x4]C[4,4]H[4,4]2H[4])(C[3,3x4]H[3,3,4]2C[4,4])(C[3,4,4]H[3,3,4]2HH)(C[3x4]H[4,4]2H)(CH3)(CNO){1|H<2>,2|H<1>}	H[4](C[5x4]C[4,4]C[5x4]H[4,4]2)(H[4]C[4,4])	111.0460	0.000	1	111.0460	0.000	1	111.0460	0.000	1	111.0460	0.000	1	111.0460	0.000	1	105.2656	39.188	3
794	478	478	4:SPD5_SP3_SP3	C[4,4,6,6]	C[3x4,6]	C[3x4,6]	4:4:3:1:1:	4:5:2:1:	4:5:2:1:	C[3x4,6]-4:C[3x4,6]-4:N[3x6]-3:H-1:H-1:	C[4,4,6,6]-4:C[4,4,6,6]-5:H[4,4]-2:H-1:	C[4,4,6,6]-4:C[4,4,6,6]-5:H[4,4]-2:H-1:	C[4,4,6,6](C[3x4,6]C[4,4,6,6]H[4,4]H)2(N[3x6]C[3x6,6a]C[6])(H)2	C[3x4,6](C[4,4,6,6]C[6,6,6a]C[3x4,6]H)(C[4,4,6,6]C[3x4,6]N[3x6]HH)(H[4,4]C[3x4,6])(H)	C[3x4,6](C[4,4,6,6]C[6,6,6a]C[3x4,6]H)(C[4,4,6,6]C[3x4,6]N[3x6]HH)(H[4,4]C[3x4,6])(H)	C[4,4,6,6](C[3x4,6]C[4,4,6,6]H[4,4]H)2(N[3x6]C[3x6,6a]C[6])(H)2{1|C<4>,2|C<3>,3|H<1>}	C[3x4,6](C[4,4,6,6]C[6,6,6a]C[3x4,6]H)(C[4,4,6,6]C[3x4,6]N[3x6]HH)(H[4,4]C[3x4,6])(H){1|C<4>,1|H<1>,2|C<3>}	C[3x4,6](C[4,4,6,6]C[6,6,6a]C[3x4,6]H)(C[4,4,6,6]C[3x4,6]N[3x6]HH)(H[4,4]C[3x4,6])(H){1|C<4>,1|H<1>,2|C<3>}	29.8570	0.000	1	29.8570	0.000	1	29.8570	0.000	1	29.8570	0.000	1	29.8570	0.000	1	29.8570	0.000	1
794	478	802	0:SPD5_SP-NON_SP3	C[4,4]	C[4,4,6]	H[4]	4:4:2:1:1:	4:5:4:1:	5:4:	C[4,4,6]-4:O[3,4]-4:H[4]-2:H-1:H-1:	C[3,4,6]-4:C[4,4]-5:C[4,6]-4:H-1:	C[4,4]-5:C[4,6]-4:	C[4,4](C[4,4,6]C[3,4,6]C[4,6]H)(O[3,4]C[3,4,6]C[3,6]H)(H[4]C[4,6])(H)2	C[4,4,6](C[3,4,6]C[3,6]O[3,4]H)(C[4,4]O[3,4]H[4]HH)(C[4,6]C[6]H[4]H)(H)	H[4](C[4,4]C[4,4,6]O[3,4]HH)(C[4,6]C[4,4,6]C[6]H)	C[4,4](C[4,4,6]C[3,4,6]C[4,6]H)(O[3,4]C[3,4,6]C[3,6]H)(H[4]C[4,6])(H)2{2|H<1>,3|C<3>}	C[4,4,6](C[3,4,6]C[3,6]O[3,4]H)(C[4,4]O[3,4]H[4]HH)(C[4,6]C[6]H[4]H)(H){2|C<3>,2|H<1>}	H[4](C[4,4]C[4,4,6]O[3,4]HH)(C[4,6]C[4,4,6]C[6]H)	75.3749	0.000	1	75.3749	0.000	1	75.3749	0.000	1	75.3749	0.000	1	75.3749	0.000	1	75.3749	0.000	1
794	478	856	6:SPD5_SP2_SP3	C[4,4,6,6]	C[3x4,6]	N[3x6]	4:4:3:1:1:	4:5:2:1:	3:5:4:	C[3x4,6]-4:C[3x4,6]-4:N[3x6]-3:H-1:H-1:	C[4,4,6,6]-4:C[4,4,6,6]-5:H[4,4]-2:H-1:	C[3x6,6a]-3:C[4,4,6,6]-5:C[6]-4:	C[4,4,6,6](C[3x4,6]C[4,4,6,6]H[4,4]H)2(N[3x6]C[3x6,6a]C[6])(H)2	C[3x4,6](C[4,4,6,6]C[6,6,6a]C[3x4,6]H)(C[4,4,6,6]C[3x4,6]N[3x6]HH)(H[4,4]C[3x4,6])(H)	N[3x6](C[3x6,6a]C[6,6,6a]C[6,6a])(C[4,4,6,6]C[3x4,6]2HH)(C[6]C[6]HH)	C[4,4,6,6](C[3x4,6]C[4,4,6,6]H[4,4]H)2(N[3x6]C[3x6,6a]C[6])(H)2{1|C<4>,2|C<3>,3|H<1>}	C[3x4,6](C[4,4,6,6]C[6,6,6a]C[3x4,6]H)(C[4,4,6,6]C[3x4,6]N[3x6]HH)(H[4,4]C[3x4,6])(H){1|C<4>,1|H<1>,2|C<3>}	N[3x6](C[3x6,6a]C[6,6,6a]C[6,6a])(C[4,4,6,6]C[3x4,6]2HH)(C[6]C[6]HH){1|H<2>,2|C<3>,2|C<4>,4|H<1>}	113.3500	4.219	2	113.3500	17.797	2	113.3500	17.797	2	113.3500	17.797	2	113.3500	17.797	2	113.3500	17.797	2
794	478	920	4:SPD5_SP3_SP3	C[4,4]	C[4,4,6]	O[3,4]	4:4:2:1:1:	4:5:4:1:	4:5:4:1:	C[4,4,6]-4:O[3,4]-4:H[4]-2:H-1:H-1:	C[3,4,6]-4:C[4,4]-5:C[4,6]-4:H-1:	C[3,4,6]-4:C[4,4]-5:C[3,6]-4:H-1:	C[4,4](C[4,4,6]C[3,4,6]C[4,6]H)(O[3,4]C[3,4,6]C[3,6]H)(H[4]C[4,6])(H)2	C[4,4,6](C[3,4,6]C[3,6]O[3,4]H)(C[4,4]O[3,4]H[4]HH)(C[4,6]C[6]H[4]H)(H)	O[3,4](C[3,4,6]C[4,4,6]C[3,6]H)(C[4,4]C[4,4,6]H[4]HH)(C[3,6]C[3,4,6]C[6]C)(H)	C[4,4](C[4,4,6]C[3,4,6]C[4,6]H)(O[3,4]C[3,4,6]C[3,6]H)(H[4]C[4,6])(H)2{2|H<1>,3|C<3>}	C[4,4,6](C[3,4,6]C[3,6]O[3,4]H)(C[4,4]O[3,4]H[4]HH)(C[4,6]C[6]H[4]H)(H){2|C<3>,2|H<1>}	O[3,4](C[3,4,6]C[4,4,6]C[3,6]H)(C[4,4]C[4,4,6]H[4]HH)(C[3,6]C[3,4,6]C[6]C)(H){1|C<3>,1|C<4>,2|H<1>}	73.4324	0.000	1	73.4324	0.000	1	73.4324	0.000	1	73.4324	0.000	1	73.4324	0.000	1	73.4324	0.000	1
794	478	951	0:SPD5_SP-NON_SP3	C[4,4,6,6]	C[3x4,6]	H	4:4:3:1:1:	4:5:2:1:	5:	C[3x4,6]-4:C[3x4,6]-4:N[3x6]-3:H-1:H-1:	C[4,4,6,6]-4:C[4,4,6,6]-5:H[4,4]-2:H-1:	C[4,4,6,6]-5:	C[4,4,6,6](C[3x4,6]C[4,4,6,6]H[4,4]H)2(N[3x6]C[3x6,6a]C[6])(H)2	C[3x4,6](C[4,4,6,6]C[6,6,6a]C[3x4,6]H)(C[4,4,6,6]C[3x4,6]N[3x6]HH)(H[4,4]C[3x4,6])(H)	H(C[4,4,6,6]C[3x4,6]2N[3x6]H)	C[4,4,6,6](C[3x4,6]C[4,4,6,6]H[4,4]H)2(N[3x6]C[3x6,6a]C[6])(H)2{1|C<4>,2|C<3>,3|H<1>}	C[3x4,6](C[4,4,6,6]C[6,6,6a]C[3x4,6]H)(C[4,4,6,6]C[3x4,6]N[3x6]HH)(H[4,4]C[3x4,6])(H){1|C<4>,1|H<1>,2|C<3>}	H(C[4,4,6,6]C[3x4,6]2N[3x6]H)	111.2685	18.827	4	111.2685	354.439	4	111.2685	354.439	4	111.2685	354.439	4	111.2685	354.439	4	113.8224	1416.672	6
794	478	951	0:SPD5_SP-NON_SP3	C[4,4]	C[4,4,6]	H	4:4:2:1:1:	4:5:4:1:	5:	C[4,4,6]-4:O[3,4]-4:H[4]-2:H-1:H-1:	C[3,4,6]-4:C[4,4]-5:C[4,6]-4:H-1:	C[4,4]-5:	C[4,4](C[4,4,6]C[3,4,6]C[4,6]H)(O[3,4]C[3,4,6]C[3,6]H)(H[4]C[4,6])(H)2	C[4,4,6](C[3,4,6]C[3,6]O[3,4]H)(C[4,4]O[3,4]H[4]HH)(C[4,6]C[6]H[4]H)(H)	H(C[4,4]C[4,4,6]O[3,4]H[4]H)	C[4,4](C[4,4,6]C[3,4,6]C[4,6]H)(O[3,4]C[3,4,6]C[3,6]H)(H[4]C[4,6])(H)2{2|H<1>,3|C<3>}	C[4,4,6](C[3,4,6]C[3,6]O[3,4]H)(C[4,4]O[3,4]H[4]HH)(C[4,6]C[6]H[4]H)(H){2|C<3>,2|H<1>}	H(C[4,4]C[4,4,6]O[3,4]H[4]H)	118.9301	77.083	2	118.9301	5941.775	2	118.9301	5941.775	2	118.9301	5941.775	2	118.9301	5941.775	2	113.8224	1416.672	6
794	486	778	4:SPD5_SP3_SPD5	C[4,4,5]	C[3,4x4,5]	C[4x3,4,4,5]	5:4:2:1:1:	7:4:3:5:	7:6:4:5:3:	C[4x3,4,4,5]-5:C[3,4x4,5]-4:O-2:H-1:H-1:	C[6x3,4,4]-7:O[4x3,4,4]-4:H[3,4,4,5]-3:C[4,4,5]-5:	C[6x3,4,4]-7:C[4x3,4,4,5]-6:O[4x3,4,4]-4:C[4,4,5]-5:H[3,3]-3:	C[4,4,5](C[4x3,4,4,5]C[4x3,4,4,5]C[6x3,4,4]O[4x3,4,4]H[3,3])(C[3,4x4,5]C[6x3,4,4]H[3,4,4,5]O[4x3,4,4])(OC[6a])(H)2	C[3,4x4,5](C[6x3,4,4]C[4x3,4,4,5]2O[4x3,4,4]H[3,3]H[3]H)(O[4x3,4,4]C[4x3,4,4,5]2C[6x3,4,4])(H[3,4,4,5]C[4x3,4,4,5]H[3])(C[4,4,5]C[4x3,4,4,5]HHO)	C[4x3,4,4,5](C[6x3,4,4]C[4x3,4,4,5]C[3,4x4,5]O[4x3,4,4]H[3,3]H[3]H)(C[4x3,4,4,5]C[6x3,4,4]H[3,4,4,5]O[4x3,4,4]H[3]H)(O[4x3,4,4]C[4x3,4,4,5]C[3,4x4,5]C[6x3,4,4])(C[4,4,5]C[3,4x4,5]HHO)(H[3,3]C[6x3,4,4]H[3])	C[4,4,5](C[4x3,4,4,5]C[4x3,4,4,5]C[6x3,4,4]O[4x3,4,4]H[3,3])(C[3,4x4,5]C[6x3,4,4]H[3,4,4,5]O[4x3,4,4])(OC[6a])(H)2{2|H<1>,2|H<2>}	C[3,4x4,5](C[6x3,4,4]C[4x3,4,4,5]2O[4x3,4,4]H[3,3]H[3]H)(O[4x3,4,4]C[4x3,4,4,5]2C[6x3,4,4])(H[3,4,4,5]C[4x3,4,4,5]H[3])(C[4,4,5]C[4x3,4,4,5]HHO){1|H<1>}	C[4x3,4,4,5](C[6x3,4,4]C[4x3,4,4,5]C[3,4x4,5]O[4x3,4,4]H[3,3]H[3]H)(C[4x3,4,4,5]C[6x3,4,4]H[3,4,4,5]O[4x3,4,4]H[3]H)(O[4x3,4,4]C[4x3,4,4,5]C[3,4x4,5]C[6x3,4,4])(C[4,4,5]C[3,4x4,5]HHO)(H[3,3]C[6x3,4,4]H[3])	29.3231	0.000	1	29.3231	0.000	1	29.3231	0.000	1	29.3231	0.000	1	29.3231	0.000	1	29.3231	0.000	1
794	486	794	4:SPD5_SP3_SPD5	C[4,4]	C[3,3x4]	C[5x4]	5:4:2:1:1:	6:3:3:5:	6:5:2:2:2:	C[5x4]-5:C[3,3x4]-4:H[4]-2:H-1:H-1:	C[5x4]-6:H[3,3,4]-3:H[3,3,4]-3:C[4,4]-5:	C[5x4]-6:C[4,4]-5:H[4,4]-2:H[4,4]-2:H[4]-2:	C[4,4](C[5x4]C[5x4]H[4,4]2H[4])(C[3,3x4]H[3,3,4]2C[5x4])(H[4]H[4])(H)2	C[3,3x4](C[5x4]C[3,4,4]C[3x4]C[5x4]CC)(H[3,3,4]C[3,4,4]H[3,3,4])2(C[4,4]C[5x4]H[4]HH)	C[5x4](C[5x4]C[3,3x4]C[3,4,4]C[3x4]CC)(C[4,4]C[3,3x4]H[4]HH)(H[4,4]C[3x4])2(H[4]H[4])	C[4,4](C[5x4]C[5x4]H[4,4]2H[4])(C[3,3x4]H[3,3,4]2C[5x4])(H[4]H[4])(H)2{1|C<3>,1|C<5>,2|C<4>}	C[3,3x4](C[5x4]C[3,4,4]C[3x4]C[5x4]CC)(H[3,3,4]C[3,4,4]H[3,3,4])2(C[4,4]C[5x4]H[4]HH){3|H<1>,3|H<2>}	C[5x4](C[5x4]C[3,3x4]C[3,4,4]C[3x4]CC)(C[4,4]C[3,3x4]H[4]HH)(H[4,4]C[3x4])2(H[4]H[4]){2|H<3>,3|H<1>}	114.6300	0.000	1	114.6300	0.000	1	114.6300	0.000	1	114.6300	0.000	1	114.6300	0.000	1	114.6300	0.000	1
794	486	802	0:SPD5_SP-NON_SP3	C[4,4]	C[3,3x4]	H[4]	5:4:2:1:1:	6:3:3:5:	5:2:	C[5x4]-5:C[3,3x4]-4:H[4]-2:H-1:H-1:	C[5x4]-6:H[3,3,4]-3:H[3,3,4]-3:C[4,4]-5:	C[4,4]-5:H[4]-2:	C[4,4](C[5x4]C[5x4]H[4,4]2H[4])(C[3,3x4]H[3,3,4]2C[5x4])(H[4]H[4])(H)2	C[3,3x4](C[5x4]C[3,4,4]C[3x4]C[5x4]CC)(H[3,3,4]C[3,4,4]H[3,3,4])2(C[4,4]C[5x4]H[4]HH)	H[4](C[4,4]C[3,3x4]C[5x4]HH)(H[4]C[5x4])	C[4,4](C[5x4]C[5x4]H[4,4]2H[4])(C[3,3x4]H[3,3,4]2C[5x4])(H[4]H[4])(H)2{1|C<3>,1|C<5>,2|C<4>}	C[3,3x4](C[5x4]C[3,4,4]C[3x4]C[5x4]CC)(H[3,3,4]C[3,4,4]H[3,3,4])2(C[4,4]C[5x4]H[4]HH){3|H<1>,3|H<2>}	H[4](C[4,4]C[3,3x4]C[5x4]HH)(H[4]C[5x4])	156.0110	0.000	1	156.0110	0.000	1	156.0110	0.000	1	156.0110	0.000	1	156.0110	0.000	1	156.0110	0.000	1
794	486	893	0:SPD5_SP2_SP3	C[4,4,5]	C[3,4x4,5]	O	5:4:2:1:1:	7:4:3:5:	5:3:	C[4x3,4,4,5]-5:C[3,4x4,5]-4:O-2:H-1:H-1:	C[6x3,4,4]-7:O[4x3,4,4]-4:H[3,4,4,5]-3:C[4,4,5]-5:	C[4,4,5]-5:C[6a]-3:	C[4,4,5](C[4x3,4,4,5]C[4x3,4,4,5]C[6x3,4,4]O[4x3,4,4]H[3,3])(C[3,4x4,5]C[6x3,4,4]H[3,4,4,5]O[4x3,4,4])(OC[6a])(H)2	C[3,4x4,5](C[6x3,4,4]C[4x3,4,4,5]2O[4x3,4,4]H[3,3]H[3]H)(O[4x3,4,4]C[4x3,4,4,5]2C[6x3,4,4])(H[3,4,4,5]C[4x3,4,4,5]H[3])(C[4,4,5]C[4x3,4,4,5]HHO)	O(C[4,4,5]C[4x3,4,4,5]C[3,4x4,5]HH)(C[6a]C[6a]2)	C[4,4,5](C[4x3,4,4,5]C[4x3,4,4,5]C[6x3,4,4]O[4x3,4,4]H[3,3])(C[3,4x4,5]C[6x3,4,4]H[3,4,4,5]O[4x3,4,4])(OC[6a])(H)2{2|H<1>,2|H<2>}	C[3,4x4,5](C[6x3,4,4]C[4x3,4,4,5]2O[4x3,4,4]H[3,3]H[3]H)(O[4x3,4,4]C[4x3,4,4,5]2C[6x3,4,4])(H[3,4,4,5]C[4x3,4,4,5]H[3])(C[4,4,5]C[4x3,4,4,5]HHO){1|H<1>}	O(C[4,4,5]C[4x3,4,4,5]C[3,4x4,5]HH)(C[6a]C[6a]2)	98.6524	0.000	1	98.6524	0.000	1	98.6524	0.000	1	98.6524	0.000	1	98.6524	0.000	1	98.6524	0.000	1
794	486	951	0:SPD5_SP-NON_SP3	C[4,4,5]	C[3,4x4,5]	H	5:4:2:1:1:	7:4:3:5:	5:	C[4x3,4,4,5]-5:C[3,4x4,5]-4:O-2:H-1:H-1:	C[6x3,4,4]-7:O[4x3,4,4]-4:H[3,4,4,5]-3:C[4,4,5]-5:	C[4,4,5]-5:	C[4,4,5](C[4x3,4,4,5]C[4x3,4,4,5]C[6x3,4,4]O[4x3,4,4]H[3,3])(C[3,4x4,5]C[6x3,4,4]H[3,4,4,5]O[4x3,4,4])(OC[6a])(H)2	C[3,4x4,5](C[6x3,4,4]C[4x3,4,4,5]2O[4x3,4,4]H[3,3]H[3]H)(O[4x3,4,4]C[4x3,4,4,5]2C[6x3,4,4])(H[3,4,4,5]C[4x3,4,4,5]H[3])(C[4,4,5]C[4x3,4,4,5]HHO)	H(C[4,4,5]C[4x3,4,4,5]C[3,4x4,5]HO)	C[4,4,5](C[4x3,4,4,5]C[4x3,4,4,5]C[6x3,4,4]O[4x3,4,4]H[3,3])(C[3,4x4,5]C[6x3,4,4]H[3,4,4,5]O[4x3,4,4])(OC[6a])(H)2{2|H<1>,2|H<2>}	C[3,4x4,5](C[6x3,4,4]C[4x3,4,4,5]2O[4x3,4,4]H[3,3]H[3]H)(O[4x3,4,4]C[4x3,4,4,5]2C[6x3,4,4])(H[3,4,4,5]C[4x3,4,4,5]H[3])(C[4,4,5]C[4x3,4,4,5]HHO){1|H<1>}	H(C[4,4,5]C[4x3,4,4,5]C[3,4x4,5]HO)	113.2890	3.741	2	113.2890	13.992	2	113.2890	13.992	2	113.2890	13.992	2	113.2890	13.992	2	95.7063	651.158	4
794	486	951	0:SPD5_SP-NON_SP3	C[4,4]	C[3,3x4]	H	5:4:2:1:1:	6:3:3:5:	5:	C[5x4]-5:C[3,3x4]-4:H[4]-2:H-1:H-1:	C[5x4]-6:H[3,3,4]-3:H[3,3,4]-3:C[4,4]-5:	C[4,4]-5:	C[4,4](C[5x4]C[5x4]H[4,4]2H[4])(C[3,3x4]H[3,3,4]2C[5x4])(H[4]H[4])(H)2	C[3,3x4](C[5x4]C[3,4,4]C[3x4]C[5x4]CC)(H[3,3,4]C[3,4,4]H[3,3,4])2(C[4,4]C[5x4]H[4]HH)	H(C[4,4]C[3,3x4]C[5x4]H[4]H)	C[4,4](C[5x4]C[5x4]H[4,4]2H[4])(C[3,3x4]H[3,3,4]2C[5x4])(H[4]H[4])(H)2{1|C<3>,1|C<5>,2|C<4>}	C[3,3x4](C[5x4]C[3,4,4]C[3x4]C[5x4]CC)(H[3,3,4]C[3,4,4]H[3,3,4])2(C[4,4]C[5x4]H[4]HH){3|H<1>,3|H<2>}	H(C[4,4]C[3,3x4]C[5x4]H[4]H)	78.1236	26.512	2	78.1236	702.878	2	78.1236	702.878	2	78.1236	702.878	2	78.1236	702.878	2	95.7063	651.158	4
794	714	802	0:SPD5_SP-NON_SPD5	C[4x4,5,5]	S[4,5,5]	H[4,4,5]	7:5:2:2:1:	6:5:4:1:1:	6:5:	C[3x3,3x4,5,5]-7:S[4,5,5]-5:H[4,4,5]-2:H[4,4,5]-2:H-1:	C[3x3,4,5,5]-6:C[4x4,5,5]-5:C[5]-4:O-1:O-1:	C[3,3x4,4x5]-6:C[4x4,5,5]-5:	C[4x4,5,5](C[3x3,3x4,5,5]C[3,3x4,4x5]C[3x3,4,5,5]C[4,5,5]H[3]2H)(S[4,5,5]C[3x3,4,5,5]C[5]OO)(H[4,4,5]C[3,3x4,4x5])2(H)	S[4,5,5](C[3x3,4,5,5]C[3x3,3x4,5,5]C[3,3x4,4x5]H[3]2H)(C[4x4,5,5]C[3x3,3x4,5,5]H[4,4,5]2H)(C[5]C[5]2H)(O)2	H[4,4,5](C[3,3x4,4x5]C[3x3,3x4,5,5]C[3x3,4,5,5]C[4,5,5]H[4,4,5]H)(C[4x4,5,5]C[3x3,3x4,5,5]H[4,4,5]S[4,5,5]H)	C[4x4,5,5](C[3x3,3x4,5,5]C[3,3x4,4x5]C[3x3,4,5,5]C[4,5,5]H[3]2H)(S[4,5,5]C[3x3,4,5,5]C[5]OO)(H[4,4,5]C[3,3x4,4x5])2(H){2|H<2>,3|C<4>,6|H<1>}	S[4,5,5](C[3x3,4,5,5]C[3x3,3x4,5,5]C[3,3x4,4x5]H[3]2H)(C[4x4,5,5]C[3x3,3x4,5,5]H[4,4,5]2H)(C[5]C[5]2H)(O)2{1|C<6>,1|N<3>,4|C<4>,4|H<1>}	H[4,4,5](C[3,3x4,4x5]C[3x3,3x4,5,5]C[3x3,4,5,5]C[4,5,5]H[4,4,5]H)(C[4x4,5,5]C[3x3,3x4,5,5]H[4,4,5]S[4,5,5]H)	123.3560	19.182	2	123.3560	367.964	2	123.3560	367.964	2	123.3560	367.964	2	123.3560	367.964	2	123.3560	367.964	2
794	714	951	0:SPD5_SP-NON_SPD5	C[4x4,5,5]	S[4,5,5]	H	7:5:2:2:1:	6:5:4:1:1:	5:	C[3x3,3x4,5,5]-7:S[4,5,5]-5:H[4,4,5]-2:H[4,4,5]-2:H-1:	C[3x3,4,5,5]-6:C[4x4,5,5]-5:C[5]-4:O-1:O-1:	C[4x4,5,5]-5:	C[4x4,5,5](C[3x3,3x4,5,5]C[3,3x4,4x5]C[3x3,4,5,5]C[4,5,5]H[3]2H)(S[4,5,5]C[3x3,4,5,5]C[5]OO)(H[4,4,5]C[3,3x4,4x5])2(H)	S[4,5,5](C[3x3,4,5,5]C[3x3,3x4,5,5]C[3,3x4,4x5]H[3]2H)(C[4x4,5,5]C[3x3,3x4,5,5]H[4,4,5]2H)(C[5]C[5]2H)(O)2	H(C[4x4,5,5]C[3x3,3x4,5,5]H[4,4,5]2S[4,5,5])	C[4x4,5,5](C[3x3,3x4,5,5]C[3,3x4,4x5]C[3x3,4,5,5]C[4,5,5]H[3]2H)(S[4,5,5]C[3x3,4,5,5]C[5]OO)(H[4,4,5]C[3,3x4,4x5])2(H){2|H<2>,3|C<4>,6|H<1>}	S[4,5,5](C[3x3,4,5,5]C[3x3,3x4,5,5]C[3,3x4,4x5]H[3]2H)(C[4x4,5,5]C[3x3,3x4,5,5]H[4,4,5]2H)(C[5]C[5]2H)(O)2{1|C<6>,1|N<3>,4|C<4>,4|H<1>}	H(C[4x4,5,5]C[3x3,3x4,5,5]H[4,4,5]2S[4,5,5])	109.7460	0.000	1	109.7460	0.000	1	109.7460	0.000	1	109.7460	0.000	1	109.7460	0.000	1	109.7460	0.000	1
794	766	766	0:SPD5_SP-NON_SP-NON	C[4x4,6x5,6]	H[3x5,6]	H[3x5,6]	5:5:4:2:2:	5:2:	5:2:	C[4x4,5,5]-5:C[4x4,5,5]-5:N[4,4,5,5]-4:H[3x5,6]-2:H[3x5,6]-2:	C[4x4,6x5,6]-5:H[3x5,6]-2:	C[4x4,6x5,6]-5:H[3x5,6]-2:	C[4x4,6x5,6](C[4x4,5,5]C[4x4,6x5,6]N[4,4]HH)2(N[4,4,5,5]C[4x4,6x5,6]CC)(H[3x5,6]H[3x5,6])2	H[3x5,6](C[4x4,6x5,6]C[4x4,5,5]2N[4,4,5,5]H[3x5,6])(H[3x5,6]C[4x4,6x5,6])	H[3x5,6](C[4x4,6x5,6]C[4x4,5,5]2N[4,4,5,5]H[3x5,6])(H[3x5,6]C[4x4,6x5,6])	C[4x4,6x5,6](C[4x4,5,5]C[4x4,6x5,6]N[4,4]HH)2(N[4,4,5,5]C[4x4,6x5,6]CC)(H[3x5,6]H[3x5,6])2{1|H<1>,2|C<4>}	H[3x5,6](C[4x4,6x5,6]C[4x4,5,5]2N[4,4,5,5]H[3x5,6])(H[3x5,6]C[4x4,6x5,6])	H[3x5,6](C[4x4,6x5,6]C[4x4,5,5]2N[4,4,5,5]H[3x5,6])(H[3x5,6]C[4x4,6x5,6])	107.5550	0.000	1	107.5550	0.000	1	107.5550	0.000	1	107.5550	0.000	1	107.5550	0.000	1	107.5550	0.000	1
794	766	794	0:SPD5_SP-NON_SPD5	C[4x4,6x5,6]	H[3x5,6]	C[4x4,5,5]	5:5:4:2:2:	5:2:	5:5:5:1:1:	C[4x4,5,5]-5:C[4x4,5,5]-5:N[4,4,5,5]-4:H[3x5,6]-2:H[3x5,6]-2:	C[4x4,6x5,6]-5:H[3x5,6]-2:	C[4x4,6x5,6]-5:C[4x4,6x5,6]-5:N[4,4]-5:H-1:H-1:	C[4x4,6x5,6](C[4x4,5,5]C[4x4,6x5,6]N[4,4]HH)2(N[4,4,5,5]C[4x4,6x5,6]CC)(H[3x5,6]H[3x5,6])2	H[3x5,6](C[4x4,6x5,6]C[4x4,5,5]2N[4,4,5,5]H[3x5,6])(H[3x5,6]C[4x4,6x5,6])	C[4x4,5,5](C[4x4,6x5,6]C[4x4,5,5]N[4,4,5,5]H[3x5,6]2)2(N[4,4]C[4x4,5,5]CCH)(H)2	C[4x4,6x5,6](C[4x4,5,5]C[4x4,6x5,6]N[4,4]HH)2(N[4,4,5,5]C[4x4,6x5,6]CC)(H[3x5,6]H[3x5,6])2{1|H<1>,2|C<4>}	H[3x5,6](C[4x4,6x5,6]C[4x4,5,5]2N[4,4,5,5]H[3x5,6])(H[3x5,6]C[4x4,6x5,6])	C[4x4,5,5](C[4x4,6x5,6]C[4x4,5,5]N[4,4,5,5]H[3x5,6]2)2(N[4,4]C[4x4,5,5]CCH)(H)2{2|C<4>,2|H<1>}	108.5358	19.322	4	108.5358	373.351	4	108.5358	373.351	4	108.5358	373.351	4	108.5358	373.351	4	108.5358	373.351	4
794	766	802	0:SPD5_SP-NON_SP-NON	C[4,5,5]	H[5,5]	H[4,5]	5:2:2:1:1:	5:2:	5:5:	O[3x3,4,4,5]-5:H[4,5]-2:H[5,5]-2:H-1:H-1:	C[4,5,5]-5:H[5,5]-2:	C[3,4,5,5]-5:C[4,5,5]-5:	C[4,5,5](O[3x3,4,4,5]C[3,4,5,5]C[3x3,4,4]C[3,4,4]O[4x3,4])(H[4,5]C[3,4,5,5])(H[5,5]H[5,5])(H)2	H[5,5](C[4,5,5]O[3x3,4,4,5]H[4,5]HH)(H[5,5]C[3,4,5,5])	H[4,5](C[3,4,5,5]O[3x3,4,4,5]O[4x3,4]H[5,5]H)(C[4,5,5]O[3x3,4,4,5]H[5,5]HH)	C[4,5,5](O[3x3,4,4,5]C[3,4,5,5]C[3x3,4,4]C[3,4,4]O[4x3,4])(H[4,5]C[3,4,5,5])(H[5,5]H[5,5])(H)2{1|C<4>,1|H<3>,2|H<1>,2|H<2>}	H[5,5](C[4,5,5]O[3x3,4,4,5]H[4,5]HH)(H[5,5]C[3,4,5,5])	H[4,5](C[3,4,5,5]O[3x3,4,4,5]O[4x3,4]H[5,5]H)(C[4,5,5]O[3x3,4,4,5]H[5,5]HH)	57.2583	0.000	1	57.2583	0.000	1	57.2583	0.000	1	57.2583	0.000	1	57.2583	0.000	1	57.2583	0.000	1
794	766	915	0:SPD5_SP-NON_SPD5	C[4,5,5]	H[5,5]	O[3x3,4,4,5]	5:2:2:1:1:	5:2:	5:5:5:5:5:	O[3x3,4,4,5]-5:H[4,5]-2:H[5,5]-2:H-1:H-1:	C[4,5,5]-5:H[5,5]-2:	O[4x3,4]-5:C[3,4,5,5]-5:C[3x3,4,4]-5:C[3,4,4]-5:C[4,5,5]-5:	C[4,5,5](O[3x3,4,4,5]C[3,4,5,5]C[3x3,4,4]C[3,4,4]O[4x3,4])(H[4,5]C[3,4,5,5])(H[5,5]H[5,5])(H)2	H[5,5](C[4,5,5]O[3x3,4,4,5]H[4,5]HH)(H[5,5]C[3,4,5,5])	O[3x3,4,4,5](O[4x3,4]C[3,4,5,5]C[3x3,4,4]C[3,4,4]H[3])(C[3,4,5,5]O[4x3,4]H[4,5]H[5,5]H)(C[3x3,4,4]H[3,4,4]O[4x3,4]H[3]2)(C[3,4,4]H[3,4,4]O[4x3,4]CH)(C[4,5,5]H[4,5]H[5,5]HH)	C[4,5,5](O[3x3,4,4,5]C[3,4,5,5]C[3x3,4,4]C[3,4,4]O[4x3,4])(H[4,5]C[3,4,5,5])(H[5,5]H[5,5])(H)2{1|C<4>,1|H<3>,2|H<1>,2|H<2>}	H[5,5](C[4,5,5]O[3x3,4,4,5]H[4,5]HH)(H[5,5]C[3,4,5,5])	O[3x3,4,4,5](O[4x3,4]C[3,4,5,5]C[3x3,4,4]C[3,4,4]H[3])(C[3,4,5,5]O[4x3,4]H[4,5]H[5,5]H)(C[3x3,4,4]H[3,4,4]O[4x3,4]H[3]2)(C[3,4,4]H[3,4,4]O[4x3,4]CH)(C[4,5,5]H[4,5]H[5,5]HH)	111.0790	0.000	1	111.0790	0.000	1	111.0790	0.000	1	111.0790	0.000	1	111.0790	0.000	1	111.0790	0.000	1
794	766	980	0:SPD5_SP-NON_SP3	C[4x4,6x5,6]	H[3x5,6]	N[4,4,5,5]	5:5:4:2:2:	5:2:	5:5:4:4:	C[4x4,5,5]-5:C[4x4,5,5]-5:N[4,4,5,5]-4:H[3x5,6]-2:H[3x5,6]-2:	C[4x4,6x5,6]-5:H[3x5,6]-2:	C[4x4,6x5,6]-5:C[4x4,6x5,6]-5:C-4:C-4:	C[4x4,6x5,6](C[4x4,5,5]C[4x4,6x5,6]N[4,4]HH)2(N[4,4,5,5]C[4x4,6x5,6]CC)(H[3x5,6]H[3x5,6])2	H[3x5,6](C[4x4,6x5,6]C[4x4,5,5]2N[4,4,5,5]H[3x5,6])(H[3x5,6]C[4x4,6x5,6])	N[4,4,5,5](C[4x4,6x5,6]C[4x4,5,5]2H[3x5,6]2)2(CH3)2	C[4x4,6x5,6](C[4x4,5,5]C[4x4,6x5,6]N[4,4]HH)2(N[4,4,5,5]C[4x4,6x5,6]CC)(H[3x5,6]H[3x5,6])2{1|H<1>,2|C<4>}	H[3x5,6](C[4x4,6x5,6]C[4x4,5,5]2N[4,4,5,5]H[3x5,6])(H[3x5,6]C[4x4,6x5,6])	N[4,4,5,5](C[4x4,6x5,6]C[4x4,5,5]2H[3x5,6]2)2(CH3)2{1|N<5>,4|H<1>}	107.5865	0.422	2	107.5865	0.178	2	107.5865	0.178	2	107.5865	0.178	2	107.5865	0.178	2	107.5865	0.178	2
794	778	893	0:SPD5_SP2_SPD5	C[4,4,5]	C[4x3,4,4,5]	O	5:4:2:1:1:	7:6:4:5:3:	5:3:	C[4x3,4,4,5]-5:C[3,4x4,5]-4:O-2:H-1:H-1:	C[6x3,4,4]-7:C[4x3,4,4,5]-6:O[4x3,4,4]-4:C[4,4,5]-5:H[3,3]-3:	C[4,4,5]-5:C[6a]-3:	C[4,4,5](C[4x3,4,4,5]C[4x3,4,4,5]C[6x3,4,4]O[4x3,4,4]H[3,3])(C[3,4x4,5]C[6x3,4,4]H[3,4,4,5]O[4x3,4,4])(OC[6a])(H)2	C[4x3,4,4,5](C[6x3,4,4]C[4x3,4,4,5]C[3,4x4,5]O[4x3,4,4]H[3,3]H[3]H)(C[4x3,4,4,5]C[6x3,4,4]H[3,4,4,5]O[4x3,4,4]H[3]H)(O[4x3,4,4]C[4x3,4,4,5]C[3,4x4,5]C[6x3,4,4])(C[4,4,5]C[3,4x4,5]HHO)(H[3,3]C[6x3,4,4]H[3])	O(C[4,4,5]C[4x3,4,4,5]C[3,4x4,5]HH)(C[6a]C[6a]2)	C[4,4,5](C[4x3,4,4,5]C[4x3,4,4,5]C[6x3,4,4]O[4x3,4,4]H[3,3])(C[3,4x4,5]C[6x3,4,4]H[3,4,4,5]O[4x3,4,4])(OC[6a])(H)2{2|H<1>,2|H<2>}	C[4x3,4,4,5](C[6x3,4,4]C[4x3,4,4,5]C[3,4x4,5]O[4x3,4,4]H[3,3]H[3]H)(C[4x3,4,4,5]C[6x3,4,4]H[3,4,4,5]O[4x3,4,4]H[3]H)(O[4x3,4,4]C[4x3,4,4,5]C[3,4x4,5]C[6x3,4,4])(C[4,4,5]C[3,4x4,5]HHO)(H[3,3]C[6x3,4,4]H[3])	O(C[4,4,5]C[4x3,4,4,5]C[3,4x4,5]HH)(C[6a]C[6a]2)	124.5910	0.000	1	124.5910	0.000	1	124.5910	0.000	1	124.5910	0.000	1	124.5910	0.000	1	124.5910	0.000	1
794	778	951	0:SPD5_SP-NON_SPD5	C[4,4,5]	C[4x3,4,4,5]	H	5:4:2:1:1:	7:6:4:5:3:	5:	C[4x3,4,4,5]-5:C[3,4x4,5]-4:O-2:H-1:H-1:	C[6x3,4,4]-7:C[4x3,4,4,5]-6:O[4x3,4,4]-4:C[4,4,5]-5:H[3,3]-3:	C[4,4,5]-5:	C[4,4,5](C[4x3,4,4,5]C[4x3,4,4,5]C[6x3,4,4]O[4x3,4,4]H[3,3])(C[3,4x4,5]C[6x3,4,4]H[3,4,4,5]O[4x3,4,4])(OC[6a])(H)2	C[4x3,4,4,5](C[6x3,4,4]C[4x3,4,4,5]C[3,4x4,5]O[4x3,4,4]H[3,3]H[3]H)(C[4x3,4,4,5]C[6x3,4,4]H[3,4,4,5]O[4x3,4,4]H[3]H)(O[4x3,4,4]C[4x3,4,4,5]C[3,4x4,5]C[6x3,4,4])(C[4,4,5]C[3,4x4,5]HHO)(H[3,3]C[6x3,4,4]H[3])	H(C[4,4,5]C[4x3,4,4,5]C[3,4x4,5]HO)	C[4,4,5](C[4x3,4,4,5]C[4x3,4,4,5]C[6x3,4,4]O[4x3,4,4]H[3,3])(C[3,4x4,5]C[6x3,4,4]H[3,4,4,5]O[4x3,4,4])(OC[6a])(H)2{2|H<1>,2|H<2>}	C[4x3,4,4,5](C[6x3,4,4]C[4x3,4,4,5]C[3,4x4,5]O[4x3,4,4]H[3,3]H[3]H)(C[4x3,4,4,5]C[6x3,4,4]H[3,4,4,5]O[4x3,4,4]H[3]H)(O[4x3,4,4]C[4x3,4,4,5]C[3,4x4,5]C[6x3,4,4])(C[4,4,5]C[3,4x4,5]HHO)(H[3,3]C[6x3,4,4]H[3])	H(C[4,4,5]C[4x3,4,4,5]C[3,4x4,5]HO)	100.9284	11.657	2	100.9284	135.881	2	100.9284	135.881	2	100.9284	135.881	2	100.9284	135.881	2	100.9284	135.881	2
794	794	794	4:SPD5_SPD5_SPD5	C[4x4,5,5]	C[4x4,6x5,6]	C[4x4,6x5,6]	5:5:5:1:1:	5:5:4:2:2:	5:5:4:2:2:	C[4x4,6x5,6]-5:C[4x4,6x5,6]-5:N[4,4]-5:H-1:H-1:	C[4x4,5,5]-5:C[4x4,5,5]-5:N[4,4,5,5]-4:H[3x5,6]-2:H[3x5,6]-2:	C[4x4,5,5]-5:C[4x4,5,5]-5:N[4,4,5,5]-4:H[3x5,6]-2:H[3x5,6]-2:	C[4x4,5,5](C[4x4,6x5,6]C[4x4,5,5]N[4,4,5,5]H[3x5,6]2)2(N[4,4]C[4x4,5,5]CCH)(H)2	C[4x4,6x5,6](C[4x4,5,5]C[4x4,6x5,6]N[4,4]HH)2(N[4,4,5,5]C[4x4,6x5,6]CC)(H[3x5,6]H[3x5,6])2	C[4x4,6x5,6](C[4x4,5,5]C[4x4,6x5,6]N[4,4]HH)2(N[4,4,5,5]C[4x4,6x5,6]CC)(H[3x5,6]H[3x5,6])2	C[4x4,5,5](C[4x4,6x5,6]C[4x4,5,5]N[4,4,5,5]H[3x5,6]2)2(N[4,4]C[4x4,5,5]CCH)(H)2{2|C<4>,2|H<1>}	C[4x4,6x5,6](C[4x4,5,5]C[4x4,6x5,6]N[4,4]HH)2(N[4,4,5,5]C[4x4,6x5,6]CC)(H[3x5,6]H[3x5,6])2{1|H<1>,2|C<4>}	C[4x4,6x5,6](C[4x4,5,5]C[4x4,6x5,6]N[4,4]HH)2(N[4,4,5,5]C[4x4,6x5,6]CC)(H[3x5,6]H[3x5,6])2{1|H<1>,2|C<4>}	21.1901	0.000	1	21.1901	0.000	1	21.1901	0.000	1	21.1901	0.000	1	21.1901	0.000	1	24.7816	25.798	2
794	794	794	4:SPD5_SPD5_SPD5	C[4x4,6x5,6]	C[4x4,5,5]	C[4x4,5,5]	5:5:4:2:2:	5:5:5:1:1:	5:5:5:1:1:	C[4x4,5,5]-5:C[4x4,5,5]-5:N[4,4,5,5]-4:H[3x5,6]-2:H[3x5,6]-2:	C[4x4,6x5,6]-5:C[4x4,6x5,6]-5:N[4,4]-5:H-1:H-1:	C[4x4,6x5,6]-5:C[4x4,6x5,6]-5:N[4,4]-5:H-1:H-1:	C[4x4,6x5,6](C[4x4,5,5]C[4x4,6x5,6]N[4,4]HH)2(N[4,4,5,5]C[4x4,6x5,6]CC)(H[3x5,6]H[3x5,6])2	C[4x4,5,5](C[4x4,6x5,6]C[4x4,5,5]N[4,4,5,5]H[3x5,6]2)2(N[4,4]C[4x4,5,5]CCH)(H)2	C[4x4,5,5](C[4x4,6x5,6]C[4x4,5,5]N[4,4,5,5]H[3x5,6]2)2(N[4,4]C[4x4,5,5]CCH)(H)2	C[4x4,6x5,6](C[4x4,5,5]C[4x4,6x5,6]N[4,4]HH)2(N[4,4,5,5]C[4x4,6x5,6]CC)(H[3x5,6]H[3x5,6])2{1|H<1>,2|C<4>}	C[4x4,5,5](C[4x4,6x5,6]C[4x4,5,5]N[4,4,5,5]H[3x5,6]2)2(N[4,4]C[4x4,5,5]CCH)(H)2{2|C<4>,2|H<1>}	C[4x4,5,5](C[4x4,6x5,6]C[4x4,5,5]N[4,4,5,5]H[3x5,6]2)2(N[4,4]C[4x4,5,5]CCH)(H)2{2|C<4>,2|H<1>}	28.3731	0.000	1	28.3731	0.000	1	28.3731	0.000	1	28.3731	0.000	1	28.3731	0.000	1	24.7816	25.798	2
794	794	802	0:SPD5_SP-NON_SPD5	C[4,4]	C[5x4]	H[4]	5:4:2:1:1:	6:5:2:2:2:	5:2:	C[5x4]-5:C[3,3x4]-4:H[4]-2:H-1:H-1:	C[5x4]-6:C[4,4]-5:H[4,4]-2:H[4,4]-2:H[4]-2:	C[4,4]-5:H[4]-2:	C[4,4](C[5x4]C[5x4]H[4,4]2H[4])(C[3,3x4]H[3,3,4]2C[5x4])(H[4]H[4])(H)2	C[5x4](C[5x4]C[3,3x4]C[3,4,4]C[3x4]CC)(C[4,4]C[3,3x4]H[4]HH)(H[4,4]C[3x4])2(H[4]H[4])	H[4](C[4,4]C[3,3x4]C[5x4]HH)(H[4]C[5x4])	C[4,4](C[5x4]C[5x4]H[4,4]2H[4])(C[3,3x4]H[3,3,4]2C[5x4])(H[4]H[4])(H)2{1|C<3>,1|C<5>,2|C<4>}	C[5x4](C[5x4]C[3,3x4]C[3,4,4]C[3x4]CC)(C[4,4]C[3,3x4]H[4]HH)(H[4,4]C[3x4])2(H[4]H[4]){2|H<3>,3|H<1>}	H[4](C[4,4]C[3,3x4]C[5x4]HH)(H[4]C[5x4])	68.1681	0.000	1	68.1681	0.000	1	68.1681	0.000	1	68.1681	0.000	1	68.1681	0.000	1	95.6024	1745.319	4
794	794	802	0:SPD5_SP-NON_SPD5	C[5x4]	C[4,4]	H[4,4]	6:5:2:2:2:	5:4:2:1:1:	5:4:	C[5x4]-6:C[4,4]-5:H[4,4]-2:H[4,4]-2:H[4]-2:	C[5x4]-5:C[3,3x4]-4:H[4]-2:H-1:H-1:	C[5x4]-5:C[3x4]-4:	C[5x4](C[5x4]C[3,3x4]C[3,4,4]C[3x4]CC)(C[4,4]C[3,3x4]H[4]HH)(H[4,4]C[3x4])2(H[4]H[4])	C[4,4](C[5x4]C[5x4]H[4,4]2H[4])(C[3,3x4]H[3,3,4]2C[5x4])(H[4]H[4])(H)2	H[4,4](C[5x4]C[4,4]C[5x4]H[4,4]H[4])(C[3x4]C[5x4]H[4,4]H)	C[5x4](C[5x4]C[3,3x4]C[3,4,4]C[3x4]CC)(C[4,4]C[3,3x4]H[4]HH)(H[4,4]C[3x4])2(H[4]H[4]){2|H<3>,3|H<1>}	C[4,4](C[5x4]C[5x4]H[4,4]2H[4])(C[3,3x4]H[3,3,4]2C[5x4])(H[4]H[4])(H)2{1|C<3>,1|C<5>,2|C<4>}	H[4,4](C[5x4]C[4,4]C[5x4]H[4,4]H[4])(C[3x4]C[5x4]H[4,4]H)	126.8275	36.155	2	126.8275	1307.190	2	126.8275	1307.190	2	126.8275	1307.190	2	126.8275	1307.190	2	95.6024	1745.319	4
794	794	802	0:SPD5_SP-NON_SPD5	C[5x4]	C[4,4]	H[4]	6:5:2:2:2:	5:4:2:1:1:	5:2:	C[5x4]-6:C[4,4]-5:H[4,4]-2:H[4,4]-2:H[4]-2:	C[5x4]-5:C[3,3x4]-4:H[4]-2:H-1:H-1:	C[5x4]-5:H[4]-2:	C[5x4](C[5x4]C[3,3x4]C[3,4,4]C[3x4]CC)(C[4,4]C[3,3x4]H[4]HH)(H[4,4]C[3x4])2(H[4]H[4])	C[4,4](C[5x4]C[5x4]H[4,4]2H[4])(C[3,3x4]H[3,3,4]2C[5x4])(H[4]H[4])(H)2	H[4](C[5x4]C[4,4]C[5x4]H[4,4]2)(H[4]C[4,4])	C[5x4](C[5x4]C[3,3x4]C[3,4,4]C[3x4]CC)(C[4,4]C[3,3x4]H[4]HH)(H[4,4]C[3x4])2(H[4]H[4]){2|H<3>,3|H<1>}	C[4,4](C[5x4]C[5x4]H[4,4]2H[4])(C[3,3x4]H[3,3,4]2C[5x4])(H[4]H[4])(H)2{1|C<3>,1|C<5>,2|C<4>}	H[4](C[5x4]C[4,4]C[5x4]H[4,4]2)(H[4]C[4,4])	60.5865	0.000	1	60.5865	0.000	1	60.5865	0.000	1	60.5865	0.000	1	60.5865	0.000	1	95.6024	1745.319	4
794	794	951	0:SPD5_SP-NON_SPD5	C[4,4]	C[5x4]	H	5:4:2:1:1:	6:5:2:2:2:	5:	C[5x4]-5:C[3,3x4]-4:H[4]-2:H-1:H-1:	C[5x4]-6:C[4,4]-5:H[4,4]-2:H[4,4]-2:H[4]-2:	C[4,4]-5:	C[4,4](C[5x4]C[5x4]H[4,4]2H[4])(C[3,3x4]H[3,3,4]2C[5x4])(H[4]H[4])(H)2	C[5x4](C[5x4]C[3,3x4]C[3,4,4]C[3x4]CC)(C[4,4]C[3,3x4]H[4]HH)(H[4,4]C[3x4])2(H[4]H[4])	H(C[4,4]C[3,3x4]C[5x4]H[4]H)	C[4,4](C[5x4]C[5x4]H[4,4]2H[4])(C[3,3x4]H[3,3,4]2C[5x4])(H[4]H[4])(H)2{1|C<3>,1|C<5>,2|C<4>}	C[5x4](C[5x4]C[3,3x4]C[3,4,4]C[3x4]CC)(C[4,4]C[3,3x4]H[4]HH)(H[4,4]C[3x4])2(H[4]H[4]){2|H<3>,3|H<1>}	H(C[4,4]C[3,3x4]C[5x4]H[4]H)	125.5495	55.023	2	125.5495	3027.579	2	125.5495	3027.579	2	125.5495	3027.579	2	125.5495	3027.579	2	115.1905	778.656	6
794	794	951	0:SPD5_SP-NON_SPD5	C[4x4,5,5]	C[4x4,6x5,6]	H	5:5:5:1:1:	5:5:4:2:2:	5:	C[4x4,6x5,6]-5:C[4x4,6x5,6]-5:N[4,4]-5:H-1:H-1:	C[4x4,5,5]-5:C[4x4,5,5]-5:N[4,4,5,5]-4:H[3x5,6]-2:H[3x5,6]-2:	C[4x4,5,5]-5:	C[4x4,5,5](C[4x4,6x5,6]C[4x4,5,5]N[4,4,5,5]H[3x5,6]2)2(N[4,4]C[4x4,5,5]CCH)(H)2	C[4x4,6x5,6](C[4x4,5,5]C[4x4,6x5,6]N[4,4]HH)2(N[4,4,5,5]C[4x4,6x5,6]CC)(H[3x5,6]H[3x5,6])2	H(C[4x4,5,5]C[4x4,6x5,6]2N[4,4]H)	C[4x4,5,5](C[4x4,6x5,6]C[4x4,5,5]N[4,4,5,5]H[3x5,6]2)2(N[4,4]C[4x4,5,5]CCH)(H)2{2|C<4>,2|H<1>}	C[4x4,6x5,6](C[4x4,5,5]C[4x4,6x5,6]N[4,4]HH)2(N[4,4,5,5]C[4x4,6x5,6]CC)(H[3x5,6]H[3x5,6])2{1|H<1>,2|C<4>}	H(C[4x4,5,5]C[4x4,6x5,6]2N[4,4]H)	110.0110	13.463	4	110.0110	181.256	4	110.0110	181.256	4	110.0110	181.256	4	110.0110	181.256	4	115.1905	778.656	6
794	794	980	4:SPD5_SP3_SPD5	C[4x4,6x5,6]	C[4x4,5,5]	N[4,4,5,5]	5:5:4:2:2:	5:5:5:1:1:	5:5:4:4:	C[4x4,5,5]-5:C[4x4,5,5]-5:N[4,4,5,5]-4:H[3x5,6]-2:H[3x5,6]-2:	C[4x4,6x5,6]-5:C[4x4,6x5,6]-5:N[4,4]-5:H-1:H-1:	C[4x4,6x5,6]-5:C[4x4,6x5,6]-5:C-4:C-4:	C[4x4,6x5,6](C[4x4,5,5]C[4x4,6x5,6]N[4,4]HH)2(N[4,4,5,5]C[4x4,6x5,6]CC)(H[3x5,6]H[3x5,6])2	C[4x4,5,5](C[4x4,6x5,6]C[4x4,5,5]N[4,4,5,5]H[3x5,6]2)2(N[4,4]C[4x4,5,5]CCH)(H)2	N[4,4,5,5](C[4x4,6x5,6]C[4x4,5,5]2H[3x5,6]2)2(CH3)2	C[4x4,6x5,6](C[4x4,5,5]C[4x4,6x5,6]N[4,4]HH)2(N[4,4,5,5]C[4x4,6x5,6]CC)(H[3x5,6]H[3x5,6])2{1|H<1>,2|C<4>}	C[4x4,5,5](C[4x4,6x5,6]C[4x4,5,5]N[4,4,5,5]H[3x5,6]2)2(N[4,4]C[4x4,5,5]CCH)(H)2{2|C<4>,2|H<1>}	N[4,4,5,5](C[4x4,6x5,6]C[4x4,5,5]2H[3x5,6]2)2(CH3)2{1|N<5>,4|H<1>}	114.4485	5.885	2	114.4485	34.636	2	114.4485	34.636	2	114.4485	34.636	2	114.4485	34.636	2	114.4485	34.636	2
794	802	802	0:SPD5_SP-NON_SP-NON	C[4x4,5,5]	H[4,4,5]	H[4,4,5]	7:5:2:2:1:	6:5:	6:5:	C[3x3,3x4,5,5]-7:S[4,5,5]-5:H[4,4,5]-2:H[4,4,5]-2:H-1:	C[3,3x4,4x5]-6:C[4x4,5,5]-5:	C[3,3x4,4x5]-6:C[4x4,5,5]-5:	C[4x4,5,5](C[3x3,3x4,5,5]C[3,3x4,4x5]C[3x3,4,5,5]C[4,5,5]H[3]2H)(S[4,5,5]C[3x3,4,5,5]C[5]OO)(H[4,4,5]C[3,3x4,4x5])2(H)	H[4,4,5](C[3,3x4,4x5]C[3x3,3x4,5,5]C[3x3,4,5,5]C[4,5,5]H[4,4,5]H)(C[4x4,5,5]C[3x3,3x4,5,5]H[4,4,5]S[4,5,5]H)	H[4,4,5](C[3,3x4,4x5]C[3x3,3x4,5,5]C[3x3,4,5,5]C[4,5,5]H[4,4,5]H)(C[4x4,5,5]C[3x3,3x4,5,5]H[4,4,5]S[4,5,5]H)	C[4x4,5,5](C[3x3,3x4,5,5]C[3,3x4,4x5]C[3x3,4,5,5]C[4,5,5]H[3]2H)(S[4,5,5]C[3x3,4,5,5]C[5]OO)(H[4,4,5]C[3,3x4,4x5])2(H){2|H<2>,3|C<4>,6|H<1>}	H[4,4,5](C[3,3x4,4x5]C[3x3,3x4,5,5]C[3x3,4,5,5]C[4,5,5]H[4,4,5]H)(C[4x4,5,5]C[3x3,3x4,5,5]H[4,4,5]S[4,5,5]H)	H[4,4,5](C[3,3x4,4x5]C[3x3,3x4,5,5]C[3x3,4,5,5]C[4,5,5]H[4,4,5]H)(C[4x4,5,5]C[3x3,3x4,5,5]H[4,4,5]S[4,5,5]H)	56.8389	0.000	1	56.8389	0.000	1	56.8389	0.000	1	56.8389	0.000	1	56.8389	0.000	1	64.9322	2203.484	7
794	802	802	0:SPD5_SP-NON_SP-NON	C[5x4]	H[4,4]	H[4,4]	6:5:2:2:2:	5:4:	5:4:	C[5x4]-6:C[4,4]-5:H[4,4]-2:H[4,4]-2:H[4]-2:	C[5x4]-5:C[3x4]-4:	C[5x4]-5:C[3x4]-4:	C[5x4](C[5x4]C[3,3x4]C[3,4,4]C[3x4]CC)(C[4,4]C[3,3x4]H[4]HH)(H[4,4]C[3x4])2(H[4]H[4])	H[4,4](C[5x4]C[4,4]C[5x4]H[4,4]H[4])(C[3x4]C[5x4]H[4,4]H)	H[4,4](C[5x4]C[4,4]C[5x4]H[4,4]H[4])(C[3x4]C[5x4]H[4,4]H)	C[5x4](C[5x4]C[3,3x4]C[3,4,4]C[3x4]CC)(C[4,4]C[3,3x4]H[4]HH)(H[4,4]C[3x4])2(H[4]H[4]){2|H<3>,3|H<1>}	H[4,4](C[5x4]C[4,4]C[5x4]H[4,4]H[4])(C[3x4]C[5x4]H[4,4]H)	H[4,4](C[5x4]C[4,4]C[5x4]H[4,4]H[4])(C[3x4]C[5x4]H[4,4]H)	106.0470	0.000	1	106.0470	0.000	1	106.0470	0.000	1	106.0470	0.000	1	106.0470	0.000	1	64.9322	2203.484	7
794	802	802	0:SPD5_SP-NON_SP-NON	C[5x4]	H[4,4]	H[4]	6:5:2:2:2:	5:4:	5:2:	C[5x4]-6:C[4,4]-5:H[4,4]-2:H[4,4]-2:H[4]-2:	C[5x4]-5:C[3x4]-4:	C[5x4]-5:H[4]-2:	C[5x4](C[5x4]C[3,3x4]C[3,4,4]C[3x4]CC)(C[4,4]C[3,3x4]H[4]HH)(H[4,4]C[3x4])2(H[4]H[4])	H[4,4](C[5x4]C[4,4]C[5x4]H[4,4]H[4])(C[3x4]C[5x4]H[4,4]H)	H[4](C[5x4]C[4,4]C[5x4]H[4,4]2)(H[4]C[4,4])	C[5x4](C[5x4]C[3,3x4]C[3,4,4]C[3x4]CC)(C[4,4]C[3,3x4]H[4]HH)(H[4,4]C[3x4])2(H[4]H[4]){2|H<3>,3|H<1>}	H[4,4](C[5x4]C[4,4]C[5x4]H[4,4]H[4])(C[3x4]C[5x4]H[4,4]H)	H[4](C[5x4]C[4,4]C[5x4]H[4,4]2)(H[4]C[4,4])	115.6215	15.976	2	115.6215	255.222	2	115.6215	255.222	2	115.6215	255.222	2	115.6215	255.222	2	64.9322	2203.484	7
794	802	802	0:SPD5_SP-NON_SP-NON	C[6x4]	H[3x4]	H[3x4]	7:3:2:2:1:	6:5:	6:5:	C[3x3,3x4]-7:H[3,3x4]-3:H[3x4]-2:H[3x4]-2:H-1:	C[3,6x4]-6:C[6x4]-5:	C[3,6x4]-6:C[6x4]-5:	C[6x4](C[3x3,3x4]C[3,6x4]C[3x3]2C[4x3]2C[6a])(H[3,3x4]C[3,6x4]H[3])(H[3x4]C[3,6x4])2(H)	H[3x4](C[3,6x4]C[3x3,3x4]H[3,3x4]H[3x4]H[3]H)(C[6x4]C[3x3,3x4]H[3,3x4]H[3x4]H)	H[3x4](C[3,6x4]C[3x3,3x4]H[3,3x4]H[3x4]H[3]H)(C[6x4]C[3x3,3x4]H[3,3x4]H[3x4]H)	C[6x4](C[3x3,3x4]C[3,6x4]C[3x3]2C[4x3]2C[6a])(H[3,3x4]C[3,6x4]H[3])(H[3x4]C[3,6x4])2(H){2|C<3>,4|H<2>,9|H<1>}	H[3x4](C[3,6x4]C[3x3,3x4]H[3,3x4]H[3x4]H[3]H)(C[6x4]C[3x3,3x4]H[3,3x4]H[3x4]H)	H[3x4](C[3,6x4]C[3x3,3x4]H[3,3x4]H[3x4]H[3]H)(C[6x4]C[3x3,3x4]H[3,3x4]H[3x4]H)	14.4030	0.000	1	14.4030	0.000	1	14.4030	0.000	1	14.4030	0.000	1	20.1322	24.915	3	64.9322	2203.484	7
794	802	802	0:SPD5_SP-NON_SP-NON	C[6x4]	H[3x4]	H[3x4]	8:3:2:2:1:	5:5:	5:5:	C[3x4]-8:O[3x4]-3:H[3x4]-2:H[3x4]-2:H-1:	C[6x4]-5:C[6x4]-5:	C[6x4]-5:C[6x4]-5:	C[6x4](C[3x4]C[6x4]H6)(O[3x4]C[6x4]C)(H[3x4]C[6x4])2(H)	H[3x4](C[6x4]C[3x4]H[3x4]O[3x4]H)2	H[3x4](C[6x4]C[3x4]H[3x4]O[3x4]H)2	C[6x4](C[3x4]C[6x4]H6)(O[3x4]C[6x4]C)(H[3x4]C[6x4])2(H){1|H<1>}	H[3x4](C[6x4]C[3x4]H[3x4]O[3x4]H)2	H[3x4](C[6x4]C[3x4]H[3x4]O[3x4]H)2	22.9969	0.771	2	22.9969	0.595	2	22.9969	0.595	2	22.9969	0.595	2	20.1322	24.915	3	64.9322	2203.484	7
794	802	897	0:SPD5_SP-NON_SP3	C[6x4]	H[3x4]	O[3x4]	8:3:2:2:1:	5:5:	5:5:3:	C[3x4]-8:O[3x4]-3:H[3x4]-2:H[3x4]-2:H-1:	C[6x4]-5:C[6x4]-5:	C[6x4]-5:C[6x4]-5:C-3:	C[6x4](C[3x4]C[6x4]H6)(O[3x4]C[6x4]C)(H[3x4]C[6x4])2(H)	H[3x4](C[6x4]C[3x4]H[3x4]O[3x4]H)2	O[3x4](C[6x4]C[3x4]H[3x4]2H)2(CNO)	C[6x4](C[3x4]C[6x4]H6)(O[3x4]C[6x4]C)(H[3x4]C[6x4])2(H){1|H<1>}	H[3x4](C[6x4]C[3x4]H[3x4]O[3x4]H)2	O[3x4](C[6x4]C[3x4]H[3x4]2H)2(CNO){6|H<1>}	115.5222	5.907	4	115.5222	34.894	4	115.5222	34.894	4	115.5222	34.894	4	115.5222	34.894	4	115.5222	34.894	4
794	802	915	0:SPD5_SP-NON_SPD5	C[4,5,5]	H[4,5]	O[3x3,4,4,5]	5:2:2:1:1:	5:5:	5:5:5:5:5:	O[3x3,4,4,5]-5:H[4,5]-2:H[5,5]-2:H-1:H-1:	C[3,4,5,5]-5:C[4,5,5]-5:	O[4x3,4]-5:C[3,4,5,5]-5:C[3x3,4,4]-5:C[3,4,4]-5:C[4,5,5]-5:	C[4,5,5](O[3x3,4,4,5]C[3,4,5,5]C[3x3,4,4]C[3,4,4]O[4x3,4])(H[4,5]C[3,4,5,5])(H[5,5]H[5,5])(H)2	H[4,5](C[3,4,5,5]O[3x3,4,4,5]O[4x3,4]H[5,5]H)(C[4,5,5]O[3x3,4,4,5]H[5,5]HH)	O[3x3,4,4,5](O[4x3,4]C[3,4,5,5]C[3x3,4,4]C[3,4,4]H[3])(C[3,4,5,5]O[4x3,4]H[4,5]H[5,5]H)(C[3x3,4,4]H[3,4,4]O[4x3,4]H[3]2)(C[3,4,4]H[3,4,4]O[4x3,4]CH)(C[4,5,5]H[4,5]H[5,5]HH)	C[4,5,5](O[3x3,4,4,5]C[3,4,5,5]C[3x3,4,4]C[3,4,4]O[4x3,4])(H[4,5]C[3,4,5,5])(H[5,5]H[5,5])(H)2{1|C<4>,1|H<3>,2|H<1>,2|H<2>}	H[4,5](C[3,4,5,5]O[3x3,4,4,5]O[4x3,4]H[5,5]H)(C[4,5,5]O[3x3,4,4,5]H[5,5]HH)	O[3x3,4,4,5](O[4x3,4]C[3,4,5,5]C[3x3,4,4]C[3,4,4]H[3])(C[3,4,5,5]O[4x3,4]H[4,5]H[5,5]H)(C[3x3,4,4]H[3,4,4]O[4x3,4]H[3]2)(C[3,4,4]H[3,4,4]O[4x3,4]CH)(C[4,5,5]H[4,5]H[5,5]HH)	93.1948	0.000	1	93.1948	0.000	1	93.1948	0.000	1	93.1948	0.000	1	93.1948	0.000	1	93.1948	0.000	1
794	802	920	0:SPD5_SP-NON_SP3	C[4,4]	H[4]	O[3,4]	4:4:2:1:1:	5:4:	4:5:4:1:	C[4,4,6]-4:O[3,4]-4:H[4]-2:H-1:H-1:	C[4,4]-5:C[4,6]-4:	C[3,4,6]-4:C[4,4]-5:C[3,6]-4:H-1:	C[4,4](C[4,4,6]C[3,4,6]C[4,6]H)(O[3,4]C[3,4,6]C[3,6]H)(H[4]C[4,6])(H)2	H[4](C[4,4]C[4,4,6]O[3,4]HH)(C[4,6]C[4,4,6]C[6]H)	O[3,4](C[3,4,6]C[4,4,6]C[3,6]H)(C[4,4]C[4,4,6]H[4]HH)(C[3,6]C[3,4,6]C[6]C)(H)	C[4,4](C[4,4,6]C[3,4,6]C[4,6]H)(O[3,4]C[3,4,6]C[3,6]H)(H[4]C[4,6])(H)2{2|H<1>,3|C<3>}	H[4](C[4,4]C[4,4,6]O[3,4]HH)(C[4,6]C[4,4,6]C[6]H)	O[3,4](C[3,4,6]C[4,4,6]C[3,6]H)(C[4,4]C[4,4,6]H[4]HH)(C[3,6]C[3,4,6]C[6]C)(H){1|C<3>,1|C<4>,2|H<1>}	109.7510	0.000	1	109.7510	0.000	1	109.7510	0.000	1	109.7510	0.000	1	109.7510	0.000	1	109.7510	0.000	1
794	802	951	0:SPD5_SP-NON_SP-NON	C[4,4]	H[4]	H	4:4:2:1:1:	5:4:	5:	C[4,4,6]-4:O[3,4]-4:H[4]-2:H-1:H-1:	C[4,4]-5:C[4,6]-4:	C[4,4]-5:	C[4,4](C[4,4,6]C[3,4,6]C[4,6]H)(O[3,4]C[3,4,6]C[3,6]H)(H[4]C[4,6])(H)2	H[4](C[4,4]C[4,4,6]O[3,4]HH)(C[4,6]C[4,4,6]C[6]H)	H(C[4,4]C[4,4,6]O[3,4]H[4]H)	C[4,4](C[4,4,6]C[3,4,6]C[4,6]H)(O[3,4]C[3,4,6]C[3,6]H)(H[4]C[4,6])(H)2{2|H<1>,3|C<3>}	H[4](C[4,4]C[4,4,6]O[3,4]HH)(C[4,6]C[4,4,6]C[6]H)	H(C[4,4]C[4,4,6]O[3,4]H[4]H)	109.5710	0.911	2	109.5710	0.829	2	109.5710	0.829	2	109.5710	0.829	2	109.3347	2.971	4	99.3260	704.061	12
794	802	951	0:SPD5_SP-NON_SP-NON	C[4,4]	H[4]	H	5:4:2:1:1:	5:2:	5:	C[5x4]-5:C[3,3x4]-4:H[4]-2:H-1:H-1:	C[4,4]-5:H[4]-2:	C[4,4]-5:	C[4,4](C[5x4]C[5x4]H[4,4]2H[4])(C[3,3x4]H[3,3,4]2C[5x4])(H[4]H[4])(H)2	H[4](C[4,4]C[3,3x4]C[5x4]HH)(H[4]C[5x4])	H(C[4,4]C[3,3x4]C[5x4]H[4]H)	C[4,4](C[5x4]C[5x4]H[4,4]2H[4])(C[3,3x4]H[3,3,4]2C[5x4])(H[4]H[4])(H)2{1|C<3>,1|C<5>,2|C<4>}	H[4](C[4,4]C[3,3x4]C[5x4]HH)(H[4]C[5x4])	H(C[4,4]C[3,3x4]C[5x4]H[4]H)	109.0985	2.804	2	109.0985	7.861	2	109.0985	7.861	2	109.0985	7.861	2	109.3347	2.971	4	99.3260	704.061	12
794	802	951	0:SPD5_SP-NON_SP-NON	C[4,5,5]	H[4,5]	H	5:2:2:1:1:	5:5:	5:	O[3x3,4,4,5]-5:H[4,5]-2:H[5,5]-2:H-1:H-1:	C[3,4,5,5]-5:C[4,5,5]-5:	C[4,5,5]-5:	C[4,5,5](O[3x3,4,4,5]C[3,4,5,5]C[3x3,4,4]C[3,4,4]O[4x3,4])(H[4,5]C[3,4,5,5])(H[5,5]H[5,5])(H)2	H[4,5](C[3,4,5,5]O[3x3,4,4,5]O[4x3,4]H[5,5]H)(C[4,5,5]O[3x3,4,4,5]H[5,5]HH)	H(C[4,5,5]O[3x3,4,4,5]H[4,5]H[5,5]H)	C[4,5,5](O[3x3,4,4,5]C[3,4,5,5]C[3x3,4,4]C[3,4,4]O[4x3,4])(H[4,5]C[3,4,5,5])(H[5,5]H[5,5])(H)2{1|C<4>,1|H<3>,2|H<1>,2|H<2>}	H[4,5](C[3,4,5,5]O[3x3,4,4,5]O[4x3,4]H[5,5]H)(C[4,5,5]O[3x3,4,4,5]H[5,5]HH)	H(C[4,5,5]O[3x3,4,4,5]H[4,5]H[5,5]H)	111.6581	65.873	2	111.6581	4339.197	2	111.6581	4339.197	2	111.6581	4339.197	2	111.6581	4339.197	2	99.3260	704.061	12
794	802	951	0:SPD5_SP-NON_SP-NON	C[4x4,5,5]	H[4,4,5]	H	7:5:2:2:1:	6:5:	5:	C[3x3,3x4,5,5]-7:S[4,5,5]-5:H[4,4,5]-2:H[4,4,5]-2:H-1:	C[3,3x4,4x5]-6:C[4x4,5,5]-5:	C[4x4,5,5]-5:	C[4x4,5,5](C[3x3,3x4,5,5]C[3,3x4,4x5]C[3x3,4,5,5]C[4,5,5]H[3]2H)(S[4,5,5]C[3x3,4,5,5]C[5]OO)(H[4,4,5]C[3,3x4,4x5])2(H)	H[4,4,5](C[3,3x4,4x5]C[3x3,3x4,5,5]C[3x3,4,5,5]C[4,5,5]H[4,4,5]H)(C[4x4,5,5]C[3x3,3x4,5,5]H[4,4,5]S[4,5,5]H)	H(C[4x4,5,5]C[3x3,3x4,5,5]H[4,4,5]2S[4,5,5])	C[4x4,5,5](C[3x3,3x4,5,5]C[3,3x4,4x5]C[3x3,4,5,5]C[4,5,5]H[3]2H)(S[4,5,5]C[3x3,4,5,5]C[5]OO)(H[4,4,5]C[3,3x4,4x5])2(H){2|H<2>,3|C<4>,6|H<1>}	H[4,4,5](C[3,3x4,4x5]C[3x3,3x4,5,5]C[3x3,4,5,5]C[4,5,5]H[4,4,5]H)(C[4x4,5,5]C[3x3,3x4,5,5]H[4,4,5]S[4,5,5]H)	H(C[4x4,5,5]C[3x3,3x4,5,5]H[4,4,5]2S[4,5,5])	53.9418	0.000	1	53.9418	0.000	1	53.9418	0.000	1	53.9418	0.000	1	53.9418	0.000	1	99.3260	704.061	12
794	802	951	0:SPD5_SP-NON_SP-NON	C[6x4]	H[3x4]	H	7:3:2:2:1:	6:5:	5:	C[3x3,3x4]-7:H[3,3x4]-3:H[3x4]-2:H[3x4]-2:H-1:	C[3,6x4]-6:C[6x4]-5:	C[6x4]-5:	C[6x4](C[3x3,3x4]C[3,6x4]C[3x3]2C[4x3]2C[6a])(H[3,3x4]C[3,6x4]H[3])(H[3x4]C[3,6x4])2(H)	H[3x4](C[3,6x4]C[3x3,3x4]H[3,3x4]H[3x4]H[3]H)(C[6x4]C[3x3,3x4]H[3,3x4]H[3x4]H)	H(C[6x4]C[3x3,3x4]H[3,3x4]H[3x4]2)	C[6x4](C[3x3,3x4]C[3,6x4]C[3x3]2C[4x3]2C[6a])(H[3,3x4]C[3,6x4]H[3])(H[3x4]C[3,6x4])2(H){2|C<3>,4|H<2>,9|H<1>}	H[3x4](C[3,6x4]C[3x3,3x4]H[3,3x4]H[3x4]H[3]H)(C[6x4]C[3x3,3x4]H[3,3x4]H[3x4]H)	H(C[6x4]C[3x3,3x4]H[3,3x4]H[3x4]2)	100.6040	0.000	1	100.6040	0.000	1	100.6040	0.000	1	100.6040	0.000	1	95.4629	139.341	5	99.3260	704.061	12
794	802	951	0:SPD5_SP-NON_SP-NON	C[6x4]	H[3x4]	H	8:3:2:2:1:	5:5:	5:	C[3x4]-8:O[3x4]-3:H[3x4]-2:H[3x4]-2:H-1:	C[6x4]-5:C[6x4]-5:	C[6x4]-5:	C[6x4](C[3x4]C[6x4]H6)(O[3x4]C[6x4]C)(H[3x4]C[6x4])2(H)	H[3x4](C[6x4]C[3x4]H[3x4]O[3x4]H)2	H(C[6x4]C[3x4]H[3x4]2O[3x4])	C[6x4](C[3x4]C[6x4]H6)(O[3x4]C[6x4]C)(H[3x4]C[6x4])2(H){1|H<1>}	H[3x4](C[6x4]C[3x4]H[3x4]O[3x4]H)2	H(C[6x4]C[3x4]H[3x4]2O[3x4])	94.1776	13.220	4	94.1776	174.775	4	94.1776	174.775	4	94.1776	174.775	4	95.4629	139.341	5	99.3260	704.061	12
794	846	893	0:SPD5_SP2_SP2	C[4,4]	C[3x4]	O	7:3:2:1:1:	5:5:2:	5:3:	C[3x3,3x4]-7:C[3x4]-3:O-2:H-1:H-1:	C[3,3,4,4]-5:C[4,4]-5:H[4,4]-2:	C[4,4]-5:C[6a]-3:	C[4,4](C[3x3,3x4]C[3,3,4,4]C[4x3]H[4,4]H[3]2H)(C[3x4]C[3,3,4,4]H[4,4])(OC[6a])(H)2	C[3x4](C[3,3,4,4]C[3x3,3x4]C[4x3]H[3]H)(C[4,4]C[3x3,3x4]HHO)(H[4,4]C[3x3,3x4])	O(C[4,4]C[3x3,3x4]C[3x4]HH)(C[6a]C[6a]2)	C[4,4](C[3x3,3x4]C[3,3,4,4]C[4x3]H[4,4]H[3]2H)(C[3x4]C[3,3,4,4]H[4,4])(OC[6a])(H)2{1|H<1>,1|H<2>}	C[3x4](C[3,3,4,4]C[3x3,3x4]C[4x3]H[3]H)(C[4,4]C[3x3,3x4]HHO)(H[4,4]C[3x3,3x4]){1|H<1>,2|H<2>}	O(C[4,4]C[3x3,3x4]C[3x4]HH)(C[6a]C[6a]2)	97.8513	0.000	1	97.8513	0.000	1	97.8513	0.000	1	97.8513	0.000	1	97.8513	0.000	1	97.8513	0.000	1
794	846	951	0:SPD5_SP-NON_SP2	C[4,4]	C[3x4]	H	7:3:2:1:1:	5:5:2:	5:	C[3x3,3x4]-7:C[3x4]-3:O-2:H-1:H-1:	C[3,3,4,4]-5:C[4,4]-5:H[4,4]-2:	C[4,4]-5:	C[4,4](C[3x3,3x4]C[3,3,4,4]C[4x3]H[4,4]H[3]2H)(C[3x4]C[3,3,4,4]H[4,4])(OC[6a])(H)2	C[3x4](C[3,3,4,4]C[3x3,3x4]C[4x3]H[3]H)(C[4,4]C[3x3,3x4]HHO)(H[4,4]C[3x3,3x4])	H(C[4,4]C[3x3,3x4]C[3x4]HO)	C[4,4](C[3x3,3x4]C[3,3,4,4]C[4x3]H[4,4]H[3]2H)(C[3x4]C[3,3,4,4]H[4,4])(OC[6a])(H)2{1|H<1>,1|H<2>}	C[3x4](C[3,3,4,4]C[3x3,3x4]C[4x3]H[3]H)(C[4,4]C[3x3,3x4]HHO)(H[4,4]C[3x3,3x4]){1|H<1>,2|H<2>}	H(C[4,4]C[3x3,3x4]C[3x4]HO)	114.0395	23.696	2	114.0395	561.494	2	114.0395	561.494	2	114.0395	561.494	2	114.0395	561.494	2	114.0395	561.494	2
794	856	951	0:SPD5_SP-NON_SP2	C[4,4,6,6]	N[3x6]	H	4:4:3:1:1:	3:5:4:	5:	C[3x4,6]-4:C[3x4,6]-4:N[3x6]-3:H-1:H-1:	C[3x6,6a]-3:C[4,4,6,6]-5:C[6]-4:	C[4,4,6,6]-5:	C[4,4,6,6](C[3x4,6]C[4,4,6,6]H[4,4]H)2(N[3x6]C[3x6,6a]C[6])(H)2	N[3x6](C[3x6,6a]C[6,6,6a]C[6,6a])(C[4,4,6,6]C[3x4,6]2HH)(C[6]C[6]HH)	H(C[4,4,6,6]C[3x4,6]2N[3x6]H)	C[4,4,6,6](C[3x4,6]C[4,4,6,6]H[4,4]H)2(N[3x6]C[3x6,6a]C[6])(H)2{1|C<4>,2|C<3>,3|H<1>}	N[3x6](C[3x6,6a]C[6,6,6a]C[6,6a])(C[4,4,6,6]C[3x4,6]2HH)(C[6]C[6]HH){1|H<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[4,4,6,6]C[3x4,6]2N[3x6]H)	106.2225	5.427	2	106.2225	29.453	2	106.2225	29.453	2	106.2225	29.453	2	106.2225	29.453	2	106.2225	29.453	2
794	893	898	0:SPD5_SP1_SP2	C[4]	O	C[4]	3:2:2:1:1:	5:3:	4:5:	C[3,4]-3:C[4]-2:O-2:H-1:H-1:	C[4]-5:C-3:	O[3,3,4]-4:C[4]-5:	C[4](C[3,4]O[3,3,4]O[3,3])(C[4]O[3,3,4])(OC)(H)2	O(C[4]C[3,4]C[4]HH)(CCH)	C[4](O[3,3,4]C[3,4]O[3,3]C[3])(C[4]C[3,4]HHO)	C[4](C[3,4]O[3,3,4]O[3,3])(C[4]O[3,3,4])(OC)(H)2{1|C<5>}	O(C[4]C[3,4]C[4]HH)(CCH)	C[4](O[3,3,4]C[3,4]O[3,3]C[3])(C[4]C[3,4]HHO){1|C<4>,2|H<1>}	115.8150	0.000	1	115.8150	0.000	1	115.8150	0.000	1	115.8150	0.000	1	115.8150	0.000	1	115.8150	0.000	1
794	893	902	0:SPD5_SP2_SP2	C[4]	O	C[3,4]	3:2:2:1:1:	5:3:	4:3:5:	C[3,4]-3:C[4]-2:O-2:H-1:H-1:	C[4]-5:C-3:	O[3,3,4]-4:O[3,3]-3:C[4]-5:	C[4](C[3,4]O[3,3,4]O[3,3])(C[4]O[3,3,4])(OC)(H)2	O(C[4]C[3,4]C[4]HH)(CCH)	C[3,4](O[3,3,4]O[3,3]C[3]C[4])(O[3,3]O[3,3,4]C[3])(C[4]C[4]HHO)	C[4](C[3,4]O[3,3,4]O[3,3])(C[4]O[3,3,4])(OC)(H)2{1|C<5>}	O(C[4]C[3,4]C[4]HH)(CCH)	C[3,4](O[3,3,4]O[3,3]C[3]C[4])(O[3,3]O[3,3,4]C[3])(C[4]C[4]HHO){1|C<4>,2|H<1>}	116.7530	0.000	1	116.7530	0.000	1	116.7530	0.000	1	116.7530	0.000	1	116.7530	0.000	1	116.7530	0.000	1
794	893	951	0:SPD5_SP-NON_SP2	C[4,4,5]	O	H	5:4:2:1:1:	5:3:	5:	C[4x3,4,4,5]-5:C[3,4x4,5]-4:O-2:H-1:H-1:	C[4,4,5]-5:C[6a]-3:	C[4,4,5]-5:	C[4,4,5](C[4x3,4,4,5]C[4x3,4,4,5]C[6x3,4,4]O[4x3,4,4]H[3,3])(C[3,4x4,5]C[6x3,4,4]H[3,4,4,5]O[4x3,4,4])(OC[6a])(H)2	O(C[4,4,5]C[4x3,4,4,5]C[3,4x4,5]HH)(C[6a]C[6a]2)	H(C[4,4,5]C[4x3,4,4,5]C[3,4x4,5]HO)	C[4,4,5](C[4x3,4,4,5]C[4x3,4,4,5]C[6x3,4,4]O[4x3,4,4]H[3,3])(C[3,4x4,5]C[6x3,4,4]H[3,4,4,5]O[4x3,4,4])(OC[6a])(H)2{2|H<1>,2|H<2>}	O(C[4,4,5]C[4x3,4,4,5]C[3,4x4,5]HH)(C[6a]C[6a]2)	H(C[4,4,5]C[4x3,4,4,5]C[3,4x4,5]HO)	107.4945	0.661	2	107.4945	0.437	2	107.4945	0.437	2	107.4945	0.437	2	107.4945	0.437	2	107.8480	4.356	6
794	893	951	0:SPD5_SP-NON_SP2	C[4,4]	O	H	7:3:2:1:1:	5:3:	5:	C[3x3,3x4]-7:C[3x4]-3:O-2:H-1:H-1:	C[4,4]-5:C[6a]-3:	C[4,4]-5:	C[4,4](C[3x3,3x4]C[3,3,4,4]C[4x3]H[4,4]H[3]2H)(C[3x4]C[3,3,4,4]H[4,4])(OC[6a])(H)2	O(C[4,4]C[3x3,3x4]C[3x4]HH)(C[6a]C[6a]2)	H(C[4,4]C[3x3,3x4]C[3x4]HO)	C[4,4](C[3x3,3x4]C[3,3,4,4]C[4x3]H[4,4]H[3]2H)(C[3x4]C[3,3,4,4]H[4,4])(OC[6a])(H)2{1|H<1>,1|H<2>}	O(C[4,4]C[3x3,3x4]C[3x4]HH)(C[6a]C[6a]2)	H(C[4,4]C[3x3,3x4]C[3x4]HO)	109.9070	0.164	2	109.9070	0.027	2	109.9070	0.027	2	109.9070	0.027	2	109.9070	0.027	2	107.8480	4.356	6
794	893	951	0:SPD5_SP-NON_SP2	C[4]	O	H	3:2:2:1:1:	5:3:	5:	C[3,4]-3:C[4]-2:O-2:H-1:H-1:	C[4]-5:C-3:	C[4]-5:	C[4](C[3,4]O[3,3,4]O[3,3])(C[4]O[3,3,4])(OC)(H)2	O(C[4]C[3,4]C[4]HH)(CCH)	H(C[4]C[3,4]C[4]HO)	C[4](C[3,4]O[3,3,4]O[3,3])(C[4]O[3,3,4])(OC)(H)2{1|C<5>}	O(C[4]C[3,4]C[4]HH)(CCH)	H(C[4]C[3,4]C[4]HO)	106.1425	2.601	2	106.1425	6.768	2	106.1425	6.768	2	106.1425	6.768	2	106.1425	6.768	2	107.8480	4.356	6
794	897	951	0:SPD5_SP-NON_SP3	C[6x4]	O[3x4]	H	8:3:2:2:1:	5:5:3:	5:	C[3x4]-8:O[3x4]-3:H[3x4]-2:H[3x4]-2:H-1:	C[6x4]-5:C[6x4]-5:C-3:	C[6x4]-5:	C[6x4](C[3x4]C[6x4]H6)(O[3x4]C[6x4]C)(H[3x4]C[6x4])2(H)	O[3x4](C[6x4]C[3x4]H[3x4]2H)2(CNO)	H(C[6x4]C[3x4]H[3x4]2O[3x4])	C[6x4](C[3x4]C[6x4]H6)(O[3x4]C[6x4]C)(H[3x4]C[6x4])2(H){1|H<1>}	O[3x4](C[6x4]C[3x4]H[3x4]2H)2(CNO){6|H<1>}	H(C[6x4]C[3x4]H[3x4]2O[3x4])	111.0815	1.344	2	111.0815	1.807	2	111.0815	1.807	2	111.0815	1.807	2	111.0815	1.807	2	111.0815	1.807	2
794	898	902	4:SPD5_SP1_SP2	C[4]	C[4]	C[3,4]	3:2:2:1:1:	4:5:	4:3:5:	C[3,4]-3:C[4]-2:O-2:H-1:H-1:	O[3,3,4]-4:C[4]-5:	O[3,3,4]-4:O[3,3]-3:C[4]-5:	C[4](C[3,4]O[3,3,4]O[3,3])(C[4]O[3,3,4])(OC)(H)2	C[4](O[3,3,4]C[3,4]O[3,3]C[3])(C[4]C[3,4]HHO)	C[3,4](O[3,3,4]O[3,3]C[3]C[4])(O[3,3]O[3,3,4]C[3])(C[4]C[4]HHO)	C[4](C[3,4]O[3,3,4]O[3,3])(C[4]O[3,3,4])(OC)(H)2{1|C<5>}	C[4](O[3,3,4]C[3,4]O[3,3]C[3])(C[4]C[3,4]HHO){1|C<4>,2|H<1>}	C[3,4](O[3,3,4]O[3,3]C[3]C[4])(O[3,3]O[3,3,4]C[3])(C[4]C[4]HHO){1|C<4>,2|H<1>}	28.6941	0.000	1	28.6941	0.000	1	28.6941	0.000	1	28.6941	0.000	1	28.6941	0.000	1	28.6941	0.000	1
794	898	951	0:SPD5_SP-NON_SP1	C[4]	C[4]	H	3:2:2:1:1:	4:5:	5:	C[3,4]-3:C[4]-2:O-2:H-1:H-1:	O[3,3,4]-4:C[4]-5:	C[4]-5:	C[4](C[3,4]O[3,3,4]O[3,3])(C[4]O[3,3,4])(OC)(H)2	C[4](O[3,3,4]C[3,4]O[3,3]C[3])(C[4]C[3,4]HHO)	H(C[4]C[3,4]C[4]HO)	C[4](C[3,4]O[3,3,4]O[3,3])(C[4]O[3,3,4])(OC)(H)2{1|C<5>}	C[4](O[3,3,4]C[3,4]O[3,3]C[3])(C[4]C[3,4]HHO){1|C<4>,2|H<1>}	H(C[4]C[3,4]C[4]HO)	111.1024	19.180	2	111.1024	367.891	2	111.1024	367.891	2	111.1024	367.891	2	111.1024	367.891	2	111.1024	367.891	2
794	902	951	0:SPD5_SP-NON_SP2	C[4]	C[3,4]	H	3:2:2:1:1:	4:3:5:	5:	C[3,4]-3:C[4]-2:O-2:H-1:H-1:	O[3,3,4]-4:O[3,3]-3:C[4]-5:	C[4]-5:	C[4](C[3,4]O[3,3,4]O[3,3])(C[4]O[3,3,4])(OC)(H)2	C[3,4](O[3,3,4]O[3,3]C[3]C[4])(O[3,3]O[3,3,4]C[3])(C[4]C[4]HHO)	H(C[4]C[3,4]C[4]HO)	C[4](C[3,4]O[3,3,4]O[3,3])(C[4]O[3,3,4])(OC)(H)2{1|C<5>}	C[3,4](O[3,3,4]O[3,3]C[3]C[4])(O[3,3]O[3,3,4]C[3])(C[4]C[4]HHO){1|C<4>,2|H<1>}	H(C[4]C[3,4]C[4]HO)	110.2459	15.020	2	110.2459	225.613	2	110.2459	225.613	2	110.2459	225.613	2	110.2459	225.613	2	110.2459	225.613	2
794	915	951	0:SPD5_SP-NON_SPD5	C[4,5,5]	O[3x3,4,4,5]	H	5:2:2:1:1:	5:5:5:5:5:	5:	O[3x3,4,4,5]-5:H[4,5]-2:H[5,5]-2:H-1:H-1:	O[4x3,4]-5:C[3,4,5,5]-5:C[3x3,4,4]-5:C[3,4,4]-5:C[4,5,5]-5:	C[4,5,5]-5:	C[4,5,5](O[3x3,4,4,5]C[3,4,5,5]C[3x3,4,4]C[3,4,4]O[4x3,4])(H[4,5]C[3,4,5,5])(H[5,5]H[5,5])(H)2	O[3x3,4,4,5](O[4x3,4]C[3,4,5,5]C[3x3,4,4]C[3,4,4]H[3])(C[3,4,5,5]O[4x3,4]H[4,5]H[5,5]H)(C[3x3,4,4]H[3,4,4]O[4x3,4]H[3]2)(C[3,4,4]H[3,4,4]O[4x3,4]CH)(C[4,5,5]H[4,5]H[5,5]HH)	H(C[4,5,5]O[3x3,4,4,5]H[4,5]H[5,5]H)	C[4,5,5](O[3x3,4,4,5]C[3,4,5,5]C[3x3,4,4]C[3,4,4]O[4x3,4])(H[4,5]C[3,4,5,5])(H[5,5]H[5,5])(H)2{1|C<4>,1|H<3>,2|H<1>,2|H<2>}	O[3x3,4,4,5](O[4x3,4]C[3,4,5,5]C[3x3,4,4]C[3,4,4]H[3])(C[3,4,5,5]O[4x3,4]H[4,5]H[5,5]H)(C[3x3,4,4]H[3,4,4]O[4x3,4]H[3]2)(C[3,4,4]H[3,4,4]O[4x3,4]CH)(C[4,5,5]H[4,5]H[5,5]HH)	H(C[4,5,5]O[3x3,4,4,5]H[4,5]H[5,5]H)	108.7065	0.654	2	108.7065	0.428	2	108.7065	0.428	2	108.7065	0.428	2	108.7065	0.428	2	108.7065	0.428	2
794	920	951	0:SPD5_SP-NON_SP3	C[4,4]	O[3,4]	H	4:4:2:1:1:	4:5:4:1:	5:	C[4,4,6]-4:O[3,4]-4:H[4]-2:H-1:H-1:	C[3,4,6]-4:C[4,4]-5:C[3,6]-4:H-1:	C[4,4]-5:	C[4,4](C[4,4,6]C[3,4,6]C[4,6]H)(O[3,4]C[3,4,6]C[3,6]H)(H[4]C[4,6])(H)2	O[3,4](C[3,4,6]C[4,4,6]C[3,6]H)(C[4,4]C[4,4,6]H[4]HH)(C[3,6]C[3,4,6]C[6]C)(H)	H(C[4,4]C[4,4,6]O[3,4]H[4]H)	C[4,4](C[4,4,6]C[3,4,6]C[4,6]H)(O[3,4]C[3,4,6]C[3,6]H)(H[4]C[4,6])(H)2{2|H<1>,3|C<3>}	O[3,4](C[3,4,6]C[4,4,6]C[3,6]H)(C[4,4]C[4,4,6]H[4]HH)(C[3,6]C[3,4,6]C[6]C)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[4,4]C[4,4,6]O[3,4]H[4]H)	109.4045	0.663	2	109.4045	0.439	2	109.4045	0.439	2	109.4045	0.439	2	109.4045	0.439	2	109.4045	0.439	2
794	951	951	0:SPD5_SP-NON_SP-NON	C[4,4,5]	H	H	5:4:2:1:1:	5:	5:	C[4x3,4,4,5]-5:C[3,4x4,5]-4:O-2:H-1:H-1:	C[4,4,5]-5:	C[4,4,5]-5:	C[4,4,5](C[4x3,4,4,5]C[4x3,4,4,5]C[6x3,4,4]O[4x3,4,4]H[3,3])(C[3,4x4,5]C[6x3,4,4]H[3,4,4,5]O[4x3,4,4])(OC[6a])(H)2	H(C[4,4,5]C[4x3,4,4,5]C[3,4x4,5]HO)	H(C[4,4,5]C[4x3,4,4,5]C[3,4x4,5]HO)	C[4,4,5](C[4x3,4,4,5]C[4x3,4,4,5]C[6x3,4,4]O[4x3,4,4]H[3,3])(C[3,4x4,5]C[6x3,4,4]H[3,4,4,5]O[4x3,4,4])(OC[6a])(H)2{2|H<1>,2|H<2>}	H(C[4,4,5]C[4x3,4,4,5]C[3,4x4,5]HO)	H(C[4,4,5]C[4x3,4,4,5]C[3,4x4,5]HO)	114.9640	0.000	1	114.9640	0.000	1	114.9640	0.000	1	114.9640	0.000	1	114.9640	0.000	1	108.5903	10.359	7
794	951	951	0:SPD5_SP-NON_SP-NON	C[4,4,6,6]	H	H	4:4:3:1:1:	5:	5:	C[3x4,6]-4:C[3x4,6]-4:N[3x6]-3:H-1:H-1:	C[4,4,6,6]-5:	C[4,4,6,6]-5:	C[4,4,6,6](C[3x4,6]C[4,4,6,6]H[4,4]H)2(N[3x6]C[3x6,6a]C[6])(H)2	H(C[4,4,6,6]C[3x4,6]2N[3x6]H)	H(C[4,4,6,6]C[3x4,6]2N[3x6]H)	C[4,4,6,6](C[3x4,6]C[4,4,6,6]H[4,4]H)2(N[3x6]C[3x6,6a]C[6])(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[4,4,6,6]C[3x4,6]2N[3x6]H)	H(C[4,4,6,6]C[3x4,6]2N[3x6]H)	106.5880	0.000	1	106.5880	0.000	1	106.5880	0.000	1	106.5880	0.000	1	106.5880	0.000	1	108.5903	10.359	7
794	951	951	0:SPD5_SP-NON_SP-NON	C[4,4]	H	H	4:4:2:1:1:	5:	5:	C[4,4,6]-4:O[3,4]-4:H[4]-2:H-1:H-1:	C[4,4]-5:	C[4,4]-5:	C[4,4](C[4,4,6]C[3,4,6]C[4,6]H)(O[3,4]C[3,4,6]C[3,6]H)(H[4]C[4,6])(H)2	H(C[4,4]C[4,4,6]O[3,4]H[4]H)	H(C[4,4]C[4,4,6]O[3,4]H[4]H)	C[4,4](C[4,4,6]C[3,4,6]C[4,6]H)(O[3,4]C[3,4,6]C[3,6]H)(H[4]C[4,6])(H)2{2|H<1>,3|C<3>}	H(C[4,4]C[4,4,6]O[3,4]H[4]H)	H(C[4,4]C[4,4,6]O[3,4]H[4]H)	109.1120	0.000	1	109.1120	0.000	1	109.1120	0.000	1	109.1120	0.000	1	108.8217	0.665	3	108.5903	10.359	7
794	951	951	0:SPD5_SP-NON_SP-NON	C[4,4]	H	H	5:4:2:1:1:	5:	5:	C[5x4]-5:C[3,3x4]-4:H[4]-2:H-1:H-1:	C[4,4]-5:	C[4,4]-5:	C[4,4](C[5x4]C[5x4]H[4,4]2H[4])(C[3,3x4]H[3,3,4]2C[5x4])(H[4]H[4])(H)2	H(C[4,4]C[3,3x4]C[5x4]H[4]H)	H(C[4,4]C[3,3x4]C[5x4]H[4]H)	C[4,4](C[5x4]C[5x4]H[4,4]2H[4])(C[3,3x4]H[3,3,4]2C[5x4])(H[4]H[4])(H)2{1|C<3>,1|C<5>,2|C<4>}	H(C[4,4]C[3,3x4]C[5x4]H[4]H)	H(C[4,4]C[3,3x4]C[5x4]H[4]H)	107.9010	0.000	1	107.9010	0.000	1	107.9010	0.000	1	107.9010	0.000	1	108.8217	0.665	3	108.5903	10.359	7
794	951	951	0:SPD5_SP-NON_SP-NON	C[4,4]	H	H	7:3:2:1:1:	5:	5:	C[3x3,3x4]-7:C[3x4]-3:O-2:H-1:H-1:	C[4,4]-5:	C[4,4]-5:	C[4,4](C[3x3,3x4]C[3,3,4,4]C[4x3]H[4,4]H[3]2H)(C[3x4]C[3,3,4,4]H[4,4])(OC[6a])(H)2	H(C[4,4]C[3x3,3x4]C[3x4]HO)	H(C[4,4]C[3x3,3x4]C[3x4]HO)	C[4,4](C[3x3,3x4]C[3,3,4,4]C[4x3]H[4,4]H[3]2H)(C[3x4]C[3,3,4,4]H[4,4])(OC[6a])(H)2{1|H<1>,1|H<2>}	H(C[4,4]C[3x3,3x4]C[3x4]HO)	H(C[4,4]C[3x3,3x4]C[3x4]HO)	109.4520	0.000	1	109.4520	0.000	1	109.4520	0.000	1	109.4520	0.000	1	108.8217	0.665	3	108.5903	10.359	7
794	951	951	0:SPD5_SP-NON_SP-NON	C[4]	H	H	3:2:2:1:1:	5:	5:	C[3,4]-3:C[4]-2:O-2:H-1:H-1:	C[4]-5:	C[4]-5:	C[4](C[3,4]O[3,3,4]O[3,3])(C[4]O[3,3,4])(OC)(H)2	H(C[4]C[3,4]C[4]HO)	H(C[4]C[3,4]C[4]HO)	C[4](C[3,4]O[3,3,4]O[3,3])(C[4]O[3,3,4])(OC)(H)2{1|C<5>}	H(C[4]C[3,4]C[4]HO)	H(C[4]C[3,4]C[4]HO)	104.7930	0.000	1	104.7930	0.000	1	104.7930	0.000	1	104.7930	0.000	1	104.7930	0.000	1	108.5903	10.359	7
794	951	951	0:SPD5_SP-NON_SP-NON	C[4x4,5,5]	H	H	5:5:5:1:1:	5:	5:	C[4x4,6x5,6]-5:C[4x4,6x5,6]-5:N[4,4]-5:H-1:H-1:	C[4x4,5,5]-5:	C[4x4,5,5]-5:	C[4x4,5,5](C[4x4,6x5,6]C[4x4,5,5]N[4,4,5,5]H[3x5,6]2)2(N[4,4]C[4x4,5,5]CCH)(H)2	H(C[4x4,5,5]C[4x4,6x5,6]2N[4,4]H)	H(C[4x4,5,5]C[4x4,6x5,6]2N[4,4]H)	C[4x4,5,5](C[4x4,6x5,6]C[4x4,5,5]N[4,4,5,5]H[3x5,6]2)2(N[4,4]C[4x4,5,5]CCH)(H)2{2|C<4>,2|H<1>}	H(C[4x4,5,5]C[4x4,6x5,6]2N[4,4]H)	H(C[4x4,5,5]C[4x4,6x5,6]2N[4,4]H)	107.3220	0.000	1	107.3220	0.000	1	107.3220	0.000	1	107.3220	0.000	1	107.3220	0.000	1	108.5903	10.359	7
802	226	226	0:SP-NON_SP3_SP3	H[4]	O[4]	O[4]	2:2:	2:2:	2:2:	O[4]-2:O[4]-2:	H[4]-2:H[4]-2:	H[4]-2:H[4]-2:	H[4](O[4]H[4])2	O[4](H[4]O[4])2	O[4](H[4]O[4])2	H[4](O[4]H[4])2	O[4](H[4]O[4])2	O[4](H[4]O[4])2	43.3721	5.071	2	43.3721	25.712	2	43.3721	25.712	2	43.3721	25.712	2	43.3721	25.712	2	43.3721	25.712	2
802	238	478	0:SP-NON_SP3_SPD7	H[4,4]	C[3,3,3x4]	C[3x4]	7:4:	7:7:3:2:2:1:1:	7:3:2:1:	C[3,3,3x4]-7:C[3x4]-4:	C[4x3,4,4]-7:C[4x3]-7:H[3,4,4]-3:H[3]-2:H[4,4]-2:H-1:H-1:	C[4x3,4,4]-7:H[3,4,4]-3:H[4,4]-2:H-1:	H[4,4](C[3,3,3x4]C[4x3,4,4]H[3,4,4]C[4x3]H[3]HH)(C[3x4]C[4x3,4,4]H[3,4,4]H)	C[3,3,3x4](C[4x3,4,4]C[3x3]C[3x4]C[4x3]2C[5x3]C[6a])(C[4x3]C[4x3,4,4]C[4x3]H[3]2HH)(H[3,4,4]C[3x4]H[3])(H[3]H[3,4,4])(H[4,4]C[3x4])(H)2	C[3x4](C[4x3,4,4]C[3,3,3x4]C[3x3]C[4x3]2C[5x3]C[6a])(H[3,4,4]C[3,3,3x4]H[3])(H[4,4]C[3,3,3x4])(H)	H[4,4](C[3,3,3x4]C[4x3,4,4]H[3,4,4]C[4x3]H[3]HH)(C[3x4]C[4x3,4,4]H[3,4,4]H)	C[3,3,3x4](C[4x3,4,4]C[3x3]C[3x4]C[4x3]2C[5x3]C[6a])(C[4x3]C[4x3,4,4]C[4x3]H[3]2HH)(H[3,4,4]C[3x4]H[3])(H[3]H[3,4,4])(H[4,4]C[3x4])(H)2{1|H<3>,2|C<3>,2|H<2>,6|H<1>}	C[3x4](C[4x3,4,4]C[3,3,3x4]C[3x3]C[4x3]2C[5x3]C[6a])(H[3,4,4]C[3,3,3x4]H[3])(H[4,4]C[3,3,3x4])(H){1|H<3>,2|C<3>,4|H<2>,9|H<1>}	51.8711	0.000	1	51.8711	0.000	1	51.8711	0.000	1	51.8711	0.000	1	51.8711	0.000	1	51.8711	0.000	1
802	238	802	0:SP-NON_SP-NON_SPD7	H[4]	C[4x3,4,6]	H[4]	7:2:	7:6:7:2:2:2:1:	6:2:	C[4x3,4,6]-7:H[4]-2:	N[6x3]-7:C[3,3,4,6]-6:C[5x3,6]-7:H[3]-2:H[3]-2:H[4]-2:H-1:	C[3,3,4,6]-6:H[4]-2:	H[4](C[4x3,4,6]C[3,3,4,6]C[5x3,6]N[6x3]H[3]2H)(H[4]C[3,3,4,6])	C[4x3,4,6](N[6x3]C[3,3,4,6]C[3x3,6]C[4x3,6]2C[5x3,6]Ru)(C[3,3,4,6]C[4x3,6]N[6x3]H[4]HH)(C[5x3,6]C[3x3,6]N[6x3]H[3]3H)(H[3]C[5x3,6])2(H[4]H[4])(H)	H[4](C[3,3,4,6]C[4x3,4,6]C[4x3,6]N[6x3]HH)(H[4]C[4x3,4,6])	H[4](C[4x3,4,6]C[3,3,4,6]C[5x3,6]N[6x3]H[3]2H)(H[4]C[3,3,4,6])	C[4x3,4,6](N[6x3]C[3,3,4,6]C[3x3,6]C[4x3,6]2C[5x3,6]Ru)(C[3,3,4,6]C[4x3,6]N[6x3]H[4]HH)(C[5x3,6]C[3x3,6]N[6x3]H[3]3H)(H[3]C[5x3,6])2(H[4]H[4])(H){2|H<2>,7|H<1>}	H[4](C[3,3,4,6]C[4x3,4,6]C[4x3,6]N[6x3]HH)(H[4]C[4x3,4,6])	122.8670	0.000	1	122.8670	0.000	1	122.8670	0.000	1	122.8670	0.000	1	118.7100	39.881	3	118.7100	39.881	3
802	238	802	0:SP-NON_SP-NON_SPD7	H[4]	C[4x3,4,6]	H[4]	7:2:	7:7:6:3:2:2:1:	7:2:	C[4x3,4,6]-7:H[4]-2:	C[6x3]-7:C[4x3,4,6]-7:C[3x3,4,6]-6:H[3,3]-3:H[3]-2:H[4]-2:H-1:	C[4x3,4,6]-7:H[4]-2:	H[4](C[4x3,4,6]C[3x3,4,6]C[4x3,4,6]C[6x3]H[3,3]H[3]H)(H[4]C[4x3,4,6])	C[4x3,4,6](C[6x3]C[3,3,4,4,6]2C[3x3,4,6]2C[4x3,4,6]C[6])(C[4x3,4,6]C[3x3,4,6]C[6x3]H[3,3]H[3]H[4]H)(C[3x3,4,6]C[3,3,4,4,6]C[6x3]H[3,3]H[4]H)(H[3,3]C[3x3,4,6]H[3])(H[3]H[3,3])(H[4]H[4])(H)	H[4](C[4x3,4,6]C[3x3,4,6]C[4x3,4,6]C[6x3]H[3,3]H[3]H)(H[4]C[4x3,4,6])	H[4](C[4x3,4,6]C[3x3,4,6]C[4x3,4,6]C[6x3]H[3,3]H[3]H)(H[4]C[4x3,4,6])	C[4x3,4,6](C[6x3]C[3,3,4,4,6]2C[3x3,4,6]2C[4x3,4,6]C[6])(C[4x3,4,6]C[3x3,4,6]C[6x3]H[3,3]H[3]H[4]H)(C[3x3,4,6]C[3,3,4,4,6]C[6x3]H[3,3]H[4]H)(H[3,3]C[3x3,4,6]H[3])(H[3]H[3,3])(H[4]H[4])(H){2|C<3>,3|H<1>,5|H<2>}	H[4](C[4x3,4,6]C[3x3,4,6]C[4x3,4,6]C[6x3]H[3,3]H[3]H)(H[4]C[4x3,4,6])	116.6315	7.338	2	116.6315	53.841	2	116.6315	53.841	2	116.6315	53.841	2	118.7100	39.881	3	118.7100	39.881	3
802	238	846	0:SP-NON_SP2_SPD7	H[4,4]	C[3x3,3x4]	C[3x4]	7:3:	5:5:5:2:2:2:1:	5:5:2:	C[3x3,3x4]-7:C[3x4]-3:	C[3,3,4,4]-5:C[4x3]-5:C[4,4]-5:H[4,4]-2:H[3]-2:H[3]-2:H-1:	C[3,3,4,4]-5:C[4,4]-5:H[4,4]-2:	H[4,4](C[3x3,3x4]C[3,3,4,4]C[4,4]C[4x3]H[3]2H)(C[3x4]C[3,3,4,4]C[4,4])	C[3x3,3x4](C[3,3,4,4]C[3x4]C[4x3]H[3]H)(C[4x3]C[3,3,4,4]H[3]3)(C[4,4]C[3x4]HHO)(H[4,4]C[3x4])(H[3]C[4x3])2(H)	C[3x4](C[3,3,4,4]C[3x3,3x4]C[4x3]H[3]H)(C[4,4]C[3x3,3x4]HHO)(H[4,4]C[3x3,3x4])	H[4,4](C[3x3,3x4]C[3,3,4,4]C[4,4]C[4x3]H[3]2H)(C[3x4]C[3,3,4,4]C[4,4])	C[3x3,3x4](C[3,3,4,4]C[3x4]C[4x3]H[3]H)(C[4x3]C[3,3,4,4]H[3]3)(C[4,4]C[3x4]HHO)(H[4,4]C[3x4])(H[3]C[4x3])2(H)	C[3x4](C[3,3,4,4]C[3x3,3x4]C[4x3]H[3]H)(C[4,4]C[3x3,3x4]HHO)(H[4,4]C[3x3,3x4]){1|H<1>,2|H<2>}	37.7766	0.000	1	37.7766	0.000	1	37.7766	0.000	1	37.7766	0.000	1	37.7766	0.000	1	37.7766	0.000	1
802	362	426	0:SP-NON_SPD6_SPD6	H[3x4]	C[3,7x4]	C[7x4]	6:6:	3:3:3:2:2:1:	3:3:3:2:1:1:	C[3,7x4]-6:C[7x4]-6:	O[5x4]-3:O[5x4]-3:H[3,3x4]-3:H[3]-2:H[3x4]-2:H-1:	O[5x4]-3:O[5x4]-3:H[3,3x4]-3:H[3x4]-2:H-1:H-1:	H[3x4](C[3,7x4]H[3,3x4]O[5x4]2H[3]H)(C[7x4]H[3,3x4]O[5x4]2HH)	C[3,7x4](O[5x4]C[4,4,6]C[7x4])2(H[3,3x4]C[7x4]H[3])(H[3]H[3,3x4])(H[3x4]C[7x4])(H)	C[7x4](O[5x4]C[3,7x4]C[4,4,6])2(H[3,3x4]C[3,7x4]H[3])(H[3x4]C[3,7x4])(H)2	H[3x4](C[3,7x4]H[3,3x4]O[5x4]2H[3]H)(C[7x4]H[3,3x4]O[5x4]2HH)	C[3,7x4](O[5x4]C[4,4,6]C[7x4])2(H[3,3x4]C[7x4]H[3])(H[3]H[3,3x4])(H[3x4]C[7x4])(H){2|C<3>,2|H<1>}	C[7x4](O[5x4]C[3,7x4]C[4,4,6])2(H[3,3x4]C[3,7x4]H[3])(H[3x4]C[3,7x4])(H)2{1|H<1>,2|C<3>}	21.5483	0.000	1	21.5483	0.000	1	21.5483	0.000	1	21.5483	0.000	1	21.5483	0.000	1	21.5483	0.000	1
802	362	778	0:SP-NON_SPD5_SPD6	H[4]	C[3,4,6]	C[3,4]	6:5:	6:2:2:2:2:1:	6:2:2:1:1:	C[3,4,6]-6:C[3,4]-5:	C[3,4,6]-6:H[4]-2:S[6]-2:H[3]-2:H[3]-2:H-1:	C[3,4,6]-6:H[3]-2:H[4]-2:H-1:H-1:	H[4](C[3,4,6]C[3,4,6]H[3]2S[6]H)(C[3,4]C[3,4,6]H[3]HH)	C[3,4,6](C[3,4,6]C[3,4]H[3]S[6]HH)(H[4]C[3,4])(S[6]C[5,6])(H[3]H[3])2(H)	C[3,4](C[3,4,6]C[3,4,6]H[3]S[6]HH)(H[3]C[3,4,6])(H[4]C[3,4,6])(H)2	H[4](C[3,4,6]C[3,4,6]H[3]2S[6]H)(C[3,4]C[3,4,6]H[3]HH)	C[3,4,6](C[3,4,6]C[3,4]H[3]S[6]HH)(H[4]C[3,4])(S[6]C[5,6])(H[3]H[3])2(H){1|C<3>,1|S<2>,2|H<1>}	C[3,4](C[3,4,6]C[3,4,6]H[3]S[6]HH)(H[3]C[3,4,6])(H[4]C[3,4,6])(H)2{1|C<3>,1|H<1>,1|S<2>,2|H<2>}	96.6214	0.000	1	96.6214	0.000	1	96.6214	0.000	1	96.6214	0.000	1	96.6214	0.000	1	96.6214	0.000	1
802	362	794	0:SP-NON_SPD5_SPD6	H[3x4]	C[3,6x4]	C[6x4]	6:5:	7:3:2:2:2:1:	7:3:2:2:1:	C[3,6x4]-6:C[6x4]-5:	C[3x3,3x4]-7:H[3,3x4]-3:H[3]-2:H[3x4]-2:H[3x4]-2:H-1:	C[3x3,3x4]-7:H[3,3x4]-3:H[3x4]-2:H[3x4]-2:H-1:	H[3x4](C[3,6x4]C[3x3,3x4]H[3,3x4]H[3x4]H[3]H)(C[6x4]C[3x3,3x4]H[3,3x4]H[3x4]H)	C[3,6x4](C[3x3,3x4]C[3x3]2C[4x3]2C[6x4]C[6a])(H[3,3x4]C[6x4]H[3])(H[3]H[3,3x4])(H[3x4]C[6x4])2(H)	C[6x4](C[3x3,3x4]C[3,6x4]C[3x3]2C[4x3]2C[6a])(H[3,3x4]C[3,6x4]H[3])(H[3x4]C[3,6x4])2(H)	H[3x4](C[3,6x4]C[3x3,3x4]H[3,3x4]H[3x4]H[3]H)(C[6x4]C[3x3,3x4]H[3,3x4]H[3x4]H)	C[3,6x4](C[3x3,3x4]C[3x3]2C[4x3]2C[6x4]C[6a])(H[3,3x4]C[6x4]H[3])(H[3]H[3,3x4])(H[3x4]C[6x4])2(H){2|C<3>,4|H<2>,9|H<1>}	C[6x4](C[3x3,3x4]C[3,6x4]C[3x3]2C[4x3]2C[6a])(H[3,3x4]C[3,6x4]H[3])(H[3x4]C[3,6x4])2(H){2|C<3>,4|H<2>,9|H<1>}	56.1814	1.695	2	56.1814	2.874	2	56.1814	2.874	2	56.1814	2.874	2	56.1814	2.874	2	53.9087	13.463	4
802	362	794	0:SP-NON_SPD5_SPD6	H[4,4,5]	C[3,3x4,4x5]	C[4x4,5,5]	6:5:	7:6:2:2:4:1:	7:5:2:2:1:	C[3,3x4,4x5]-6:C[4x4,5,5]-5:	C[3x3,3x4,5,5]-7:C[3x3,4,5,5]-6:H[4,4,5]-2:H[4,4,5]-2:C[4,5,5]-4:H-1:	C[3x3,3x4,5,5]-7:S[4,5,5]-5:H[4,4,5]-2:H[4,4,5]-2:H-1:	H[4,4,5](C[3,3x4,4x5]C[3x3,3x4,5,5]C[3x3,4,5,5]C[4,5,5]H[4,4,5]H)(C[4x4,5,5]C[3x3,3x4,5,5]H[4,4,5]S[4,5,5]H)	C[3,3x4,4x5](C[3x3,3x4,5,5]C[3x3,4,5,5]C[4x4,5,5]C[4,5,5]H[3]2H)(C[3x3,4,5,5]C[3x3,3x4,5,5]S[4,5,5]H[3]2H)(H[4,4,5]C[4x4,5,5])2(C[4,5,5]H[4,5]2H)(H)	C[4x4,5,5](C[3x3,3x4,5,5]C[3,3x4,4x5]C[3x3,4,5,5]C[4,5,5]H[3]2H)(S[4,5,5]C[3x3,4,5,5]C[5]OO)(H[4,4,5]C[3,3x4,4x5])2(H)	H[4,4,5](C[3,3x4,4x5]C[3x3,3x4,5,5]C[3x3,4,5,5]C[4,5,5]H[4,4,5]H)(C[4x4,5,5]C[3x3,3x4,5,5]H[4,4,5]S[4,5,5]H)	C[3,3x4,4x5](C[3x3,3x4,5,5]C[3x3,4,5,5]C[4x4,5,5]C[4,5,5]H[3]2H)(C[3x3,4,5,5]C[3x3,3x4,5,5]S[4,5,5]H[3]2H)(H[4,4,5]C[4x4,5,5])2(C[4,5,5]H[4,5]2H)(H){1|C<4>,2|O<1>,4|H<1>}	C[4x4,5,5](C[3x3,3x4,5,5]C[3,3x4,4x5]C[3x3,4,5,5]C[4,5,5]H[3]2H)(S[4,5,5]C[3x3,4,5,5]C[5]OO)(H[4,4,5]C[3,3x4,4x5])2(H){2|H<2>,3|C<4>,6|H<1>}	51.6360	4.106	2	51.6360	16.855	2	51.6360	16.855	2	51.6360	16.855	2	51.6360	16.855	2	53.9087	13.463	4
802	362	802	0:SP-NON_SP-NON_SPD6	H[4]	C[3,3,4,4,6]	H[4]	6:2:	7:6:6:2:2:1:	6:2:	C[3,3,4,4,6]-6:H[4]-2:	C[6x3]-7:C[3x3,4,6]-6:C[3,3,4,4,6]-6:H[4]-2:H[4]-2:H-1:	C[3,3,4,4,6]-6:H[4]-2:	H[4](C[3,3,4,4,6]C[3,3,4,4,6]C[3x3,4,6]C[6x3]H[4]H)(H[4]C[3,3,4,4,6])	C[3,3,4,4,6](C[6x3]C[3,3,4,4,6]C[3x3,4,6]2C[4x3,4,6]2C[6])(C[3x3,4,6]C[4x3,4,6]C[6x3]H[3,3]H[4]H)(C[3,3,4,4,6]C[3x3,4,6]C[6x3]H[4]2H)(H[4]H[4])2(H)	H[4](C[3,3,4,4,6]C[3,3,4,4,6]C[3x3,4,6]C[6x3]H[4]H)(H[4]C[3,3,4,4,6])	H[4](C[3,3,4,4,6]C[3,3,4,4,6]C[3x3,4,6]C[6x3]H[4]H)(H[4]C[3,3,4,4,6])	C[3,3,4,4,6](C[6x3]C[3,3,4,4,6]C[3x3,4,6]2C[4x3,4,6]2C[6])(C[3x3,4,6]C[4x3,4,6]C[6x3]H[3,3]H[4]H)(C[3,3,4,4,6]C[3x3,4,6]C[6x3]H[4]2H)(H[4]H[4])2(H){1|H<3>,2|C<3>,3|H<1>,5|H<2>}	H[4](C[3,3,4,4,6]C[3,3,4,4,6]C[3x3,4,6]C[6x3]H[4]H)(H[4]C[3,3,4,4,6])	119.7125	2.642	2	119.7125	6.983	2	119.7125	6.983	2	113.0812	61.537	4	113.0812	61.537	4	115.0496	91.999	7
802	362	802	0:SP-NON_SP-NON_SPD6	H[4]	C[3,3,4,4,6]	H[4]	6:2:	7:6:6:2:2:1:	6:2:	C[3,3,4,4,6]-6:H[4]-2:	C[6x3]-7:C[3x3,4,6]-6:C[3,3,4,4,6]-6:H[4]-2:H[4]-2:H-1:	C[3x3,4,6]-6:H[4]-2:	H[4](C[3,3,4,4,6]C[3,3,4,4,6]C[3x3,4,6]C[6x3]H[4]H)(H[4]C[3x3,4,6])	C[3,3,4,4,6](C[6x3]C[3,3,4,4,6]C[3x3,4,6]2C[4x3,4,6]2C[6])(C[3x3,4,6]C[4x3,4,6]C[6x3]H[3,3]H[4]H)(C[3,3,4,4,6]C[3x3,4,6]C[6x3]H[4]2H)(H[4]H[4])2(H)	H[4](C[3x3,4,6]C[3,3,4,4,6]C[4x3,4,6]C[6x3]H[3,3]H)(H[4]C[3,3,4,4,6])	H[4](C[3,3,4,4,6]C[3,3,4,4,6]C[3x3,4,6]C[6x3]H[4]H)(H[4]C[3x3,4,6])	C[3,3,4,4,6](C[6x3]C[3,3,4,4,6]C[3x3,4,6]2C[4x3,4,6]2C[6])(C[3x3,4,6]C[4x3,4,6]C[6x3]H[3,3]H[4]H)(C[3,3,4,4,6]C[3x3,4,6]C[6x3]H[4]2H)(H[4]H[4])2(H){1|H<3>,2|C<3>,3|H<1>,5|H<2>}	H[4](C[3x3,4,6]C[3,3,4,4,6]C[4x3,4,6]C[6x3]H[3,3]H)(H[4]C[3,3,4,4,6])	106.4500	1.317	2	106.4500	1.734	2	106.4500	1.734	2	113.0812	61.537	4	113.0812	61.537	4	115.0496	91.999	7
802	362	802	0:SP-NON_SP-NON_SPD6	H[4]	C[3,3,4,6]	H[4]	6:2:	7:7:7:2:1:1:	7:2:	C[3,3,4,6]-6:H[4]-2:	N[6x3]-7:C[4x3,4,6]-7:C[4x3,6]-7:H[4]-2:H-1:H-1:	C[4x3,4,6]-7:H[4]-2:	H[4](C[3,3,4,6]C[4x3,4,6]C[4x3,6]N[6x3]HH)(H[4]C[4x3,4,6])	C[3,3,4,6](N[6x3]C[4x3,4,6]C[3x3,6]C[4x3,6]2C[5x3,6]Ru)(C[4x3,4,6]C[5x3,6]N[6x3]H[3]2H[4]H)(C[4x3,6]C[4x3,6]N[6x3]H[3]2HH)(H[4]H[4])(H)2	H[4](C[4x3,4,6]C[3,3,4,6]C[5x3,6]N[6x3]H[3]2H)(H[4]C[3,3,4,6])	H[4](C[3,3,4,6]C[4x3,4,6]C[4x3,6]N[6x3]HH)(H[4]C[4x3,4,6])	C[3,3,4,6](N[6x3]C[4x3,4,6]C[3x3,6]C[4x3,6]2C[5x3,6]Ru)(C[4x3,4,6]C[5x3,6]N[6x3]H[3]2H[4]H)(C[4x3,6]C[4x3,6]N[6x3]H[3]2HH)(H[4]H[4])(H)2{1|H<2>,6|H<1>}	H[4](C[4x3,4,6]C[3,3,4,6]C[5x3,6]N[6x3]H[3]2H)(H[4]C[3,3,4,6])	103.0310	0.000	1	103.0310	0.000	1	103.0310	0.000	1	103.0310	0.000	1	103.0310	0.000	1	115.0496	91.999	7
802	362	802	0:SP-NON_SP-NON_SPD6	H[4]	C[3x3,4,6]	H[4]	6:2:	7:7:6:3:2:1:	6:2:	C[3x3,4,6]-6:H[4]-2:	C[6x3]-7:C[4x3,4,6]-7:C[3,3,4,4,6]-6:H[3,3]-3:H[4]-2:H-1:	C[3,3,4,4,6]-6:H[4]-2:	H[4](C[3x3,4,6]C[3,3,4,4,6]C[4x3,4,6]C[6x3]H[3,3]H)(H[4]C[3,3,4,4,6])	C[3x3,4,6](C[6x3]C[3,3,4,4,6]2C[3x3,4,6]C[4x3,4,6]2C[6])(C[4x3,4,6]C[4x3,4,6]C[6x3]H[3,3]H[3]H[4]H)(C[3,3,4,4,6]C[3,3,4,4,6]C[6x3]H[4]2H)(H[3,3]C[4x3,4,6]H[3])(H[4]H[4])(H)	H[4](C[3,3,4,4,6]C[3,3,4,4,6]C[3x3,4,6]C[6x3]H[4]H)(H[4]C[3x3,4,6])	H[4](C[3x3,4,6]C[3,3,4,4,6]C[4x3,4,6]C[6x3]H[3,3]H)(H[4]C[3,3,4,4,6])	C[3x3,4,6](C[6x3]C[3,3,4,4,6]2C[3x3,4,6]C[4x3,4,6]2C[6])(C[4x3,4,6]C[4x3,4,6]C[6x3]H[3,3]H[3]H[4]H)(C[3,3,4,4,6]C[3,3,4,4,6]C[6x3]H[4]2H)(H[3,3]C[4x3,4,6]H[3])(H[4]H[4])(H){1|H<3>,2|C<3>,3|H<1>,5|H<2>}	H[4](C[3,3,4,4,6]C[3,3,4,4,6]C[3x3,4,6]C[6x3]H[4]H)(H[4]C[3x3,4,6])	124.9955	3.098	2	124.9955	9.597	2	124.9955	9.597	2	124.9955	9.597	2	124.9955	9.597	2	115.0496	91.999	7
802	426	478	0:SP-NON_SP3_SPD6	H[4,5]	C[4,5,5]	C[4,5,5]	6:4:	7:2:2:1:1:1:	6:2:2:1:	C[4,5,5]-6:C[4,5,5]-4:	C[3x3,3x4,5,5]-7:H[4,5]-2:H[4,5]-2:H-1:H-1:H-1:	C[3,3x4,4x5]-6:H[4,5]-2:H[4,5]-2:H-1:	H[4,5](C[4,5,5]C[3x3,3x4,5,5]H[4,5]H3)(C[4,5,5]C[3,3x4,4x5]H[4,5]H)	C[4,5,5](C[3x3,3x4,5,5]C[3,3x4,4x5]C[3x3,4,5,5]C[4x4,5,5]H[3]2H)(H[4,5]C[4,5,5])2(H)3	C[4,5,5](C[3,3x4,4x5]C[3x3,3x4,5,5]C[3x3,4,5,5]H[4,4,5]2H)(H[4,5]C[4,5,5])2(H)	H[4,5](C[4,5,5]C[3x3,3x4,5,5]H[4,5]H3)(C[4,5,5]C[3,3x4,4x5]H[4,5]H)	C[4,5,5](C[3x3,3x4,5,5]C[3,3x4,4x5]C[3x3,4,5,5]C[4x4,5,5]H[3]2H)(H[4,5]C[4,5,5])2(H)3{1|S<5>,2|H<2>,3|H<1>}	C[4,5,5](C[3,3x4,4x5]C[3x3,3x4,5,5]C[3x3,4,5,5]H[4,4,5]2H)(H[4,5]C[4,5,5])2(H){1|C<5>,1|S<5>,2|H<1>,2|H<2>}	57.1839	4.096	2	57.1839	16.775	2	57.1839	16.775	2	57.1839	16.775	2	57.1839	16.775	2	57.1839	16.775	2
802	478	478	0:SP-NON_SP3_SP3	H[4,4]	C[3x4,6]	C[3x4,6]	4:4:	4:5:2:1:	4:5:2:1:	C[3x4,6]-4:C[3x4,6]-4:	C[4,4,6,6]-4:C[4,4,6,6]-5:H[4,4]-2:H-1:	C[4,4,6,6]-4:C[4,4,6,6]-5:H[4,4]-2:H-1:	H[4,4](C[3x4,6]C[4,4,6,6]2H)2	C[3x4,6](C[4,4,6,6]C[6,6,6a]C[3x4,6]H)(C[4,4,6,6]C[3x4,6]N[3x6]HH)(H[4,4]C[3x4,6])(H)	C[3x4,6](C[4,4,6,6]C[6,6,6a]C[3x4,6]H)(C[4,4,6,6]C[3x4,6]N[3x6]HH)(H[4,4]C[3x4,6])(H)	H[4,4](C[3x4,6]C[4,4,6,6]2H)2	C[3x4,6](C[4,4,6,6]C[6,6,6a]C[3x4,6]H)(C[4,4,6,6]C[3x4,6]N[3x6]HH)(H[4,4]C[3x4,6])(H){1|C<4>,1|H<1>,2|C<3>}	C[3x4,6](C[4,4,6,6]C[6,6,6a]C[3x4,6]H)(C[4,4,6,6]C[3x4,6]N[3x6]HH)(H[4,4]C[3x4,6])(H){1|C<4>,1|H<1>,2|C<3>}	44.9592	0.000	1	44.9592	0.000	1	44.9592	0.000	1	44.9592	0.000	1	44.9592	0.000	1	50.9448	71.655	2
802	478	478	0:SP-NON_SP3_SP3	H[4,4]	C[3x4,6]	C[3x4]	4:4:	4:4:2:2:	4:4:2:2:	C[3x4,6]-4:C[3x4]-4:	C[4,4,6,6]-4:C[4,4,6]-4:H[4,4]-2:H[6]-2:	C[4,4,6,6]-4:C[4,4,6]-4:H[4,4]-2:C-2:	H[4,4](C[3x4,6]C[4,4,6,6]C[4,4,6]H[6])(C[3x4]C[4,4,6,6]C[4,4,6]C)	C[3x4,6](C[4,4,6,6]C[3x4]C[3x6]C[6,6])(C[4,4,6]C[3x4]C[6]2)(H[4,4]C[3x4])(H[6]C[6])	C[3x4](C[4,4,6,6]C[3x4,6]C[3x6]C[6,6])(C[4,4,6]C[3x4,6]C[6]2)(H[4,4]C[3x4,6])(CH)	H[4,4](C[3x4,6]C[4,4,6,6]C[4,4,6]H[6])(C[3x4]C[4,4,6,6]C[4,4,6]C)	C[3x4,6](C[4,4,6,6]C[3x4]C[3x6]C[6,6])(C[4,4,6]C[3x4]C[6]2)(H[4,4]C[3x4])(H[6]C[6]){1|C<2>,2|C<4>,2|H<1>,4|C<3>}	C[3x4](C[4,4,6,6]C[3x4,6]C[3x6]C[6,6])(C[4,4,6]C[3x4,6]C[6]2)(H[4,4]C[3x4,6])(CH){1|H<2>,2|C<4>,2|H<1>,4|C<3>}	56.9304	0.000	1	56.9304	0.000	1	56.9304	0.000	1	56.9304	0.000	1	56.9304	0.000	1	50.9448	71.655	2
802	478	778	0:SP-NON_SP3_SPD5	H[4,4]	C[3x4]	C[3,3,3x4]	5:4:	7:2:2:1:	7:6:2:2:2:	C[3,3,3x4]-5:C[3x4]-4:	C[4x3,4,4]-7:H[4,4]-2:H[4,4]-2:H-1:	C[4x3,4,4]-7:C[3x3]-6:H[4,4]-2:H[4,4]-2:H[3]-2:	H[4,4](C[3,3,3x4]C[4x3,4,4]C[3x3]H[4,4]H[3])(C[3x4]C[4x3,4,4]H[4,4]H)	C[3x4](C[4x3,4,4]C[3,3,3x4]C[3,3]2C[3x3]2C)(H[4,4]C[3,3,3x4])2(H)	C[3,3,3x4](C[4x3,4,4]C[3,3]2C[3x3]2C[3x4]C)(C[3x3]C[4x3,4,4]C[3,3]H[3]HH)(H[4,4]C[3x4])2(H[3]C[3x3])	H[4,4](C[3,3,3x4]C[4x3,4,4]C[3x3]H[4,4]H[3])(C[3x4]C[4x3,4,4]H[4,4]H)	C[3x4](C[4x3,4,4]C[3,3,3x4]C[3,3]2C[3x3]2C)(H[4,4]C[3,3,3x4])2(H){2|H<2>,9|H<1>}	C[3,3,3x4](C[4x3,4,4]C[3,3]2C[3x3]2C[3x4]C)(C[3x3]C[4x3,4,4]C[3,3]H[3]HH)(H[4,4]C[3x4])2(H[3]C[3x3]){1|H<2>,8|H<1>}	54.2802	4.161	2	54.2802	17.315	2	54.2802	17.315	2	54.2802	17.315	2	54.2802	17.315	2	54.2802	17.315	2
802	478	794	0:SP-NON_SP3_SPD5	H[4,4]	C[3x4]	C[5x4]	5:4:	6:2:2:1:	6:5:2:2:2:	C[5x4]-5:C[3x4]-4:	C[5x4]-6:H[4,4]-2:H[4,4]-2:H-1:	C[5x4]-6:C[4,4]-5:H[4,4]-2:H[4,4]-2:H[4]-2:	H[4,4](C[5x4]C[4,4]C[5x4]H[4,4]H[4])(C[3x4]C[5x4]H[4,4]H)	C[3x4](C[5x4]C[3,3x4]C[3,4,4]C[5x4]CC)(H[4,4]C[5x4])2(H)	C[5x4](C[5x4]C[3,3x4]C[3,4,4]C[3x4]CC)(C[4,4]C[3,3x4]H[4]HH)(H[4,4]C[3x4])2(H[4]H[4])	H[4,4](C[5x4]C[4,4]C[5x4]H[4,4]H[4])(C[3x4]C[5x4]H[4,4]H)	C[3x4](C[5x4]C[3,3x4]C[3,4,4]C[5x4]CC)(H[4,4]C[5x4])2(H){1|C<5>,1|H<2>,2|H<1>,2|H<3>}	C[5x4](C[5x4]C[3,3x4]C[3,4,4]C[3x4]CC)(C[4,4]C[3,3x4]H[4]HH)(H[4,4]C[3x4])2(H[4]H[4]){2|H<3>,3|H<1>}	51.8957	3.338	2	51.8957	11.141	2	51.8957	11.141	2	51.8957	11.141	2	51.8957	11.141	2	74.7325	1570.124	3
802	478	794	0:SP-NON_SP3_SPD5	H[4]	C[4,6]	C[4,4]	5:4:	4:2:3:1:	4:4:2:1:1:	C[4,4]-5:C[4,6]-4:	C[4,4,6]-4:H[4]-2:C[6]-3:H-1:	C[4,4,6]-4:O[3,4]-4:H[4]-2:H-1:H-1:	H[4](C[4,4]C[4,4,6]O[3,4]HH)(C[4,6]C[4,4,6]C[6]H)	C[4,6](C[4,4,6]C[3,4,6]C[4,4]H)(H[4]C[4,4])(C[6]C[6]H)(H)	C[4,4](C[4,4,6]C[3,4,6]C[4,6]H)(O[3,4]C[3,4,6]C[3,6]H)(H[4]C[4,6])(H)2	H[4](C[4,4]C[4,4,6]O[3,4]HH)(C[4,6]C[4,4,6]C[6]H)	C[4,6](C[4,4,6]C[3,4,6]C[4,4]H)(H[4]C[4,4])(C[6]C[6]H)(H){1|C<4>,1|O<4>,4|H<1>}	C[4,4](C[4,4,6]C[3,4,6]C[4,6]H)(O[3,4]C[3,4,6]C[3,6]H)(H[4]C[4,6])(H)2{2|H<1>,3|C<3>}	120.4060	0.000	1	120.4060	0.000	1	120.4060	0.000	1	120.4060	0.000	1	120.4060	0.000	1	74.7325	1570.124	3
802	478	802	0:SP-NON_SP-NON_SP3	H[4]	C[4,5]	H[4]	4:2:	5:4:2:1:	5:2:	C[4,5]-4:H[4]-2:	C[3,4,5]-5:C[5]-4:H[4]-2:H-1:	C[3,4,5]-5:H[4]-2:	H[4](C[4,5]C[3,4,5]C[5]H)(H[4]C[3,4,5])	C[4,5](C[3,4,5]C[3,5]H[3]H[4]H)(C[5]C[5]HH)(H[4]H[4])(H)	H[4](C[3,4,5]C[3,5]C[4,5]H[3]H)(H[4]C[4,5])	H[4](C[4,5]C[3,4,5]C[5]H)(H[4]C[3,4,5])	C[4,5](C[3,4,5]C[3,5]H[3]H[4]H)(C[5]C[5]HH)(H[4]H[4])(H){1|C<3>}	H[4](C[3,4,5]C[3,5]C[4,5]H[3]H)(H[4]C[4,5])	119.5150	0.000	1	119.5150	0.000	1	119.5150	0.000	1	119.5150	0.000	1	119.5150	0.000	1	119.5150	0.000	1
802	478	846	0:SP-NON_SP2_SP3	H[4,4]	C[3x4,6]	C[3x4,6]	4:3:	4:4:2:1:	4:4:2:	C[3x4,6]-4:C[3x4,6]-3:	C[4,4,3x6]-4:C[4,4,6,6]-4:H[4,4]-2:H-1:	C[4,4,3x6]-4:C[4,4,6,6]-4:H[4,4]-2:	H[4,4](C[3x4,6]C[4,4,3x6]C[4,4,6,6]H)(C[3x4,6]C[4,4,3x6]C[4,4,6,6])	C[3x4,6](C[4,4,3x6]C[4,4,3x6]C[3x4,6]C[6])(C[4,4,6,6]C[3x4,6]C[6,6]H)(H[4,4]C[3x4,6])(H)	C[3x4,6](C[4,4,3x6]C[4,4,3x6]C[3x4,6]C[6])(C[4,4,6,6]C[3x4,6]C[6,6]H)(H[4,4]C[3x4,6])	H[4,4](C[3x4,6]C[4,4,3x6]C[4,4,6,6]H)(C[3x4,6]C[4,4,3x6]C[4,4,6,6])	C[3x4,6](C[4,4,3x6]C[4,4,3x6]C[3x4,6]C[6])(C[4,4,6,6]C[3x4,6]C[6,6]H)(H[4,4]C[3x4,6])(H){1|C<4>,2|H<1>,3|C<3>}	C[3x4,6](C[4,4,3x6]C[4,4,3x6]C[3x4,6]C[6])(C[4,4,6,6]C[3x4,6]C[6,6]H)(H[4,4]C[3x4,6]){1|C<4>,3|C<3>,3|H<1>}	10.2442	0.000	1	10.2442	0.000	1	10.2442	0.000	1	10.2442	0.000	1	10.2442	0.000	1	29.6144	750.413	2
802	478	846	0:SP-NON_SP2_SP3	H[4,4]	C[3x4]	C[3x4]	4:3:	6:4:2:1:	6:4:2:	C[3x4]-4:C[3x4]-3:	C[3,3,4,4]-6:N[4,4,6]-4:H[4,4]-2:H-1:	C[3,3,4,4]-6:N[4,4,6]-4:H[4,4]-2:	H[4,4](C[3x4]C[3,3,4,4]N[4,4,6]H)(C[3x4]C[3,3,4,4]N[4,4,6])	C[3x4](C[3,3,4,4]C[3x4]O[3,3]H[3]O[3]C)(N[4,4,6]C[3x4]C[6]2)(H[4,4]C[3x4])(H)	C[3x4](C[3,3,4,4]C[3x4]O[3,3]H[3]O[3]C)(N[4,4,6]C[3x4]C[6]2)(H[4,4]C[3x4])	H[4,4](C[3x4]C[3,3,4,4]N[4,4,6]H)(C[3x4]C[3,3,4,4]N[4,4,6])	C[3x4](C[3,3,4,4]C[3x4]O[3,3]H[3]O[3]C)(N[4,4,6]C[3x4]C[6]2)(H[4,4]C[3x4])(H){2|C<4>,5|H<1>}	C[3x4](C[3,3,4,4]C[3x4]O[3,3]H[3]O[3]C)(N[4,4,6]C[3x4]C[6]2)(H[4,4]C[3x4]){2|C<4>,6|H<1>}	48.9847	0.000	1	48.9847	0.000	1	48.9847	0.000	1	48.9847	0.000	1	48.9847	0.000	1	29.6144	750.413	2
802	478	898	0:SP-NON_SP1_SP3	H[4]	C[4]	C[4]	4:2:	7:2:1:1:	7:2:	C[4]-4:C[4]-2:	C[3x3,4]-7:H[4]-2:H-1:H-1:	C[3x3,4]-7:H[4]-2:	H[4](C[4]C[3x3,4]HH)(C[4]C[3x3,4])	C[4](C[3x3,4]C[3,3]2C[3x3]2C[4]C[6])(H[4]C[4])(H)2	C[4](C[3x3,4]C[3,3]2C[3x3]2C[4]C[6])(H[4]C[4])	H[4](C[4]C[3x3,4]HH)(C[4]C[3x3,4])	C[4](C[3x3,4]C[3,3]2C[3x3]2C[4]C[6])(H[4]C[4])(H)2{1|C<5>,1|H<2>,2|C<4>,5|H<1>}	C[4](C[3x3,4]C[3,3]2C[3x3]2C[4]C[6])(H[4]C[4]){1|C<5>,1|H<2>,2|C<4>,7|H<1>}	57.0618	0.000	1	57.0618	0.000	1	57.0618	0.000	1	57.0618	0.000	1	57.0618	0.000	1	57.0618	0.000	1
802	778	794	0:SP-NON_SPD5_SPD5	H[4,5]	C[3,4,5,5]	C[4,5,5]	5:5:	5:5:2:2:1:	5:2:2:1:1:	C[3,4,5,5]-5:C[4,5,5]-5:	O[3x3,4,4,5]-5:O[4x3,4]-5:H[4,5]-2:H[5,5]-2:H-1:	O[3x3,4,4,5]-5:H[4,5]-2:H[5,5]-2:H-1:H-1:	H[4,5](C[3,4,5,5]O[3x3,4,4,5]O[4x3,4]H[5,5]H)(C[4,5,5]O[3x3,4,4,5]H[5,5]HH)	C[3,4,5,5](O[3x3,4,4,5]C[3x3,4,4]C[3,4,4]C[4,5,5]O[4x3,4])(O[4x3,4]O[3x3,4,4,5]C[3x3,4,4]C[3,4,4]H[3])(H[4,5]C[4,5,5])(H[5,5]H[5,5])(H)	C[4,5,5](O[3x3,4,4,5]C[3,4,5,5]C[3x3,4,4]C[3,4,4]O[4x3,4])(H[4,5]C[3,4,5,5])(H[5,5]H[5,5])(H)2	H[4,5](C[3,4,5,5]O[3x3,4,4,5]O[4x3,4]H[5,5]H)(C[4,5,5]O[3x3,4,4,5]H[5,5]HH)	C[3,4,5,5](O[3x3,4,4,5]C[3x3,4,4]C[3,4,4]C[4,5,5]O[4x3,4])(O[4x3,4]O[3x3,4,4,5]C[3x3,4,4]C[3,4,4]H[3])(H[4,5]C[4,5,5])(H[5,5]H[5,5])(H){1|C<4>,1|H<2>,1|H<3>,3|H<1>}	C[4,5,5](O[3x3,4,4,5]C[3,4,5,5]C[3x3,4,4]C[3,4,4]O[4x3,4])(H[4,5]C[3,4,5,5])(H[5,5]H[5,5])(H)2{1|C<4>,1|H<3>,2|H<1>,2|H<2>}	37.1807	0.000	1	37.1807	0.000	1	37.1807	0.000	1	37.1807	0.000	1	37.1807	0.000	1	37.1807	0.000	1
802	778	802	0:SP-NON_SP-NON_SPD5	H[4]	C[3,4,5]	H[4]	5:2:	4:4:2:2:1:	4:2:	C[3,4,5]-5:H[4]-2:	C[3,5]-4:C[4,5]-4:H[3]-2:H[4]-2:H-1:	C[4,5]-4:H[4]-2:	H[4](C[3,4,5]C[3,5]C[4,5]H[3]H)(H[4]C[4,5])	C[3,4,5](C[3,5]C[5]H[3]C)(C[4,5]C[5]H[4]H)(H[3]C[3,5])(H[4]H[4])(H)	H[4](C[4,5]C[3,4,5]C[5]H)(H[4]C[3,4,5])	H[4](C[3,4,5]C[3,5]C[4,5]H[3]H)(H[4]C[4,5])	C[3,4,5](C[3,5]C[5]H[3]C)(C[4,5]C[5]H[4]H)(H[3]C[3,5])(H[4]H[4])(H){2|H<1>}	H[4](C[4,5]C[3,4,5]C[5]H)(H[4]C[3,4,5])	39.3194	0.000	1	39.3194	0.000	1	39.3194	0.000	1	39.3194	0.000	1	39.3194	0.000	1	39.3194	0.000	1
802	794	794	0:SP-NON_SPD5_SPD5	H[3x4]	C[6x4]	C[6x4]	5:5:	8:3:2:2:1:	8:3:2:2:1:	C[6x4]-5:C[6x4]-5:	C[3x4]-8:O[3x4]-3:H[3x4]-2:H[3x4]-2:H-1:	C[3x4]-8:O[3x4]-3:H[3x4]-2:H[3x4]-2:H-1:	H[3x4](C[6x4]C[3x4]H[3x4]O[3x4]H)2	C[6x4](C[3x4]C[6x4]H6)(O[3x4]C[6x4]C)(H[3x4]C[6x4])2(H)	C[6x4](C[3x4]C[6x4]H6)(O[3x4]C[6x4]C)(H[3x4]C[6x4])2(H)	H[3x4](C[6x4]C[3x4]H[3x4]O[3x4]H)2	C[6x4](C[3x4]C[6x4]H6)(O[3x4]C[6x4]C)(H[3x4]C[6x4])2(H){1|H<1>}	C[6x4](C[3x4]C[6x4]H6)(O[3x4]C[6x4]C)(H[3x4]C[6x4])2(H){1|H<1>}	38.9258	0.786	2	38.9258	0.617	2	38.9258	0.617	2	38.9258	0.617	2	38.9258	0.617	2	38.9258	0.617	2
802	794	802	0:SP-NON_SP-NON_SPD5	H[4]	C[4,4]	H[4]	5:2:	5:4:2:1:1:	5:2:	C[4,4]-5:H[4]-2:	C[5x4]-5:C[3,3x4]-4:H[4]-2:H-1:H-1:	C[5x4]-5:H[4]-2:	H[4](C[4,4]C[3,3x4]C[5x4]HH)(H[4]C[5x4])	C[4,4](C[5x4]C[5x4]H[4,4]2H[4])(C[3,3x4]H[3,3,4]2C[5x4])(H[4]H[4])(H)2	H[4](C[5x4]C[4,4]C[5x4]H[4,4]2)(H[4]C[4,4])	H[4](C[4,4]C[3,3x4]C[5x4]HH)(H[4]C[5x4])	C[4,4](C[5x4]C[5x4]H[4,4]2H[4])(C[3,3x4]H[3,3,4]2C[5x4])(H[4]H[4])(H)2{1|C<3>,1|C<5>,2|C<4>}	H[4](C[5x4]C[4,4]C[5x4]H[4,4]2)(H[4]C[4,4])	110.1810	0.000	1	110.1810	0.000	1	110.1810	0.000	1	110.1810	0.000	1	110.1810	0.000	1	115.2845	52.091	2
802	794	802	0:SP-NON_SP-NON_SPD5	H[4]	C[5x4]	H[4]	5:2:	6:5:2:2:2:	5:2:	C[5x4]-5:H[4]-2:	C[5x4]-6:C[4,4]-5:H[4,4]-2:H[4,4]-2:H[4]-2:	C[4,4]-5:H[4]-2:	H[4](C[5x4]C[4,4]C[5x4]H[4,4]2)(H[4]C[4,4])	C[5x4](C[5x4]C[3,3x4]C[3,4,4]C[3x4]CC)(C[4,4]C[3,3x4]H[4]HH)(H[4,4]C[3x4])2(H[4]H[4])	H[4](C[4,4]C[3,3x4]C[5x4]HH)(H[4]C[5x4])	H[4](C[5x4]C[4,4]C[5x4]H[4,4]2)(H[4]C[4,4])	C[5x4](C[5x4]C[3,3x4]C[3,4,4]C[3x4]CC)(C[4,4]C[3,3x4]H[4]HH)(H[4,4]C[3x4])2(H[4]H[4]){2|H<3>,3|H<1>}	H[4](C[4,4]C[3,3x4]C[5x4]HH)(H[4]C[5x4])	120.3880	0.000	1	120.3880	0.000	1	120.3880	0.000	1	120.3880	0.000	1	120.3880	0.000	1	115.2845	52.091	2
802	897	897	0:SP-NON_SP3_SP3	H[4]	O[4]	O[4]	3:3:	2:2:1:	2:2:1:	O[4]-3:O[4]-3:	H[4]-2:H[4]-2:H-1:	H[4]-2:H[4]-2:H-1:	H[4](O[4]H[4]H)2	O[4](H[4]O[4])2(H)	O[4](H[4]O[4])2(H)	H[4](O[4]H[4]H)2	O[4](H[4]O[4])2(H)	O[4](H[4]O[4])2(H)	116.2430	0.000	1	116.2430	0.000	1	116.2430	0.000	1	116.2430	0.000	1	118.8720	13.823	2	118.8720	13.823	2
802	897	897	0:SP-NON_SP3_SP3	H[4]	O[4]	O[4]	3:3:	2:2:4:	2:2:4:	O[4]-3:O[4]-3:	H[4]-2:H[4]-2:C-4:	H[4]-2:H[4]-2:C-4:	H[4](O[4]H[4]C)2	O[4](H[4]O[4])2(CCHH)	O[4](H[4]O[4])2(CCHH)	H[4](O[4]H[4]C)2	O[4](H[4]O[4])2(CCHH)	O[4](H[4]O[4])2(CCHH)	121.5010	0.000	1	121.5010	0.000	1	121.5010	0.000	1	121.5010	0.000	1	118.8720	13.823	2	118.8720	13.823	2
810	643	893	0:SP-NON_SP2_SP2	Br	C[6a]	O	3:2:2:	3:3:3:	3:3:	C[6a]-3:O-2:O-2:	C[6a]-3:C[6a]-3:Br-3:	Br-3:C-3:	Br(C[6a]C[6a]2)(OC)2	C[6a](C[6a]C[6a]H)2(BrOO)	O(BrC[6a]O)(CCO)	Br(C[6a]C[6a]2)(OC)2	C[6a](C[6a]C[6a]H)2(BrOO){1|C<3>,2|H<1>}	O(BrC[6a]O)(CCO)	85.2002	0.515	2	85.2002	0.265	2	85.2002	0.265	2	85.2002	0.265	2	85.2002	0.265	2	85.2002	0.265	2
810	893	893	0:SP-NON_SP2_SP2	Br	O	O	3:2:2:	3:3:	3:3:	C[6a]-3:O-2:O-2:	Br-3:C-3:	Br-3:C-3:	Br(C[6a]C[6a]2)(OC)2	O(BrC[6a]O)(CCO)	O(BrC[6a]O)(CCO)	Br(C[6a]C[6a]2)(OC)2	O(BrC[6a]O)(CCO)	O(BrC[6a]O)(CCO)	170.3050	0.000	1	170.3050	0.000	1	170.3050	0.000	1	170.3050	0.000	1	170.3050	0.000	1	170.3050	0.000	1
811	2	643	0:SP3_SP2_SP2	B[6a]	B[5]	C[6a]	3:3:3:3:	4:2:2:	4:3:3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:B[5]-3:	B[6a]-4:O[5]-2:O[5]-2:	B[6a]-4:C[6a]-3:C[6a]-3:	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(B[5]O[5]2)	B[5](B[6a]C[5a,6a]N[5a,6a]C[6a])(O[5]C[5])2	C[6a](B[6a]C[5a,6a]N[5a,6a]B[5])(C[6a]C[6a]H)2	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(B[5]O[5]2){1|B<4>,1|N<3>,3|C<4>,3|H<1>,5|C<3>}	B[5](B[6a]C[5a,6a]N[5a,6a]C[6a])(O[5]C[5])2{2|N<3>,4|C<3>,4|C<4>}	C[6a](B[6a]C[5a,6a]N[5a,6a]B[5])(C[6a]C[6a]H)2{2|H<1>,2|N<3>,2|O<2>,3|C<3>}	113.0400	0.000	1	113.0400	0.000	1	113.0400	0.000	1	113.0400	0.000	1	113.0400	0.000	1	113.0400	0.000	1
811	2	727	0:SP3_SP2_SP2	B[6a]	B[5]	C[5a,6a]	3:3:3:3:	4:2:2:	4:3:3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:B[5]-3:	B[6a]-4:O[5]-2:O[5]-2:	B[6a]-4:N[5a,6a]-3:N[5a]-3:	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(B[5]O[5]2)	B[5](B[6a]C[5a,6a]N[5a,6a]C[6a])(O[5]C[5])2	C[5a,6a](B[6a]N[5a,6a]C[6a]B[5])(N[5a,6a]B[6a]C[5a])(N[5a]C[5a]C)	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(B[5]O[5]2){1|B<4>,1|N<3>,3|C<4>,3|H<1>,5|C<3>}	B[5](B[6a]C[5a,6a]N[5a,6a]C[6a])(O[5]C[5])2{2|N<3>,4|C<3>,4|C<4>}	C[5a,6a](B[6a]N[5a,6a]C[6a]B[5])(N[5a,6a]B[6a]C[5a])(N[5a]C[5a]C){2|O<2>,3|H<1>,5|C<3>}	112.0820	0.000	1	112.0820	0.000	1	112.0820	0.000	1	112.0820	0.000	1	112.0820	0.000	1	112.0820	0.000	1
811	2	813	0:SP3_SP2_SP2	B[6a]	B[5]	N[5a,6a]	3:3:3:3:	4:2:2:	4:3:3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:B[5]-3:	B[6a]-4:O[5]-2:O[5]-2:	B[6a]-4:C[5a,6a]-3:C[5a]-3:	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(B[5]O[5]2)	B[5](B[6a]C[5a,6a]N[5a,6a]C[6a])(O[5]C[5])2	N[5a,6a](B[6a]C[5a,6a]C[6a]B[5])(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]H)	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(B[5]O[5]2){1|B<4>,1|N<3>,3|C<4>,3|H<1>,5|C<3>}	B[5](B[6a]C[5a,6a]N[5a,6a]C[6a])(O[5]C[5])2{2|N<3>,4|C<3>,4|C<4>}	N[5a,6a](B[6a]C[5a,6a]C[6a]B[5])(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]H){1|C<4>,2|H<1>,2|N<3>,2|O<2>,3|C<3>}	109.8960	0.000	1	109.8960	0.000	1	109.8960	0.000	1	109.8960	0.000	1	109.8960	0.000	1	109.8960	0.000	1
811	217	217	6:SP3_SP2_SP2	B[6,6a,6a]	N[6,6a,6a]	N[6,6a,6a]	3:3:3:1:	4:3:3:	4:3:3:	N[6,6a,6a]-3:N[6,6a,6a]-3:C[3x6a]-3:H-1:	B[6,6a,6a]-4:N[6,6a,6a]-3:C[6a,6a]-3:	B[6,6a,6a]-4:N[6,6a,6a]-3:C[6a,6a]-3:	B[6,6a,6a](N[6,6a,6a]N[6,6a,6a]C[6a,6a])2(C[3x6a]C[3x6a]C[6a])(H)	N[6,6a,6a](B[6,6a,6a]N[6,6a,6a]C[3x6a]H)(N[6,6a,6a]B[6,6a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])	N[6,6a,6a](B[6,6a,6a]N[6,6a,6a]C[3x6a]H)(N[6,6a,6a]B[6,6a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])	B[6,6a,6a](N[6,6a,6a]N[6,6a,6a]C[6a,6a])2(C[3x6a]C[3x6a]C[6a])(H){1|B<4>,1|H<1>,8|C<3>}	N[6,6a,6a](B[6,6a,6a]N[6,6a,6a]C[3x6a]H)(N[6,6a,6a]B[6,6a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a]){1|N<3>,2|H<1>,7|C<3>}	N[6,6a,6a](B[6,6a,6a]N[6,6a,6a]C[3x6a]H)(N[6,6a,6a]B[6,6a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a]){1|N<3>,2|H<1>,7|C<3>}	98.4737	0.000	1	98.4737	0.000	1	98.4737	0.000	1	98.4737	0.000	1	98.4737	0.000	1	99.1245	0.583	4
811	217	217	6:SP3_SP2_SP2	B[6a]	N[6a]	N[6a]	3:3:3:2:	4:4:2:	4:4:2:	C[6a]-3:N[6a]-3:N[6a]-3:N-2:	B[6a]-4:B[6a]-4:N-2:	B[6a]-4:B[6a]-4:N-2:	B[6a](C[6a]C[6a]2)(N[6a]B[6a]N)2(NN)	N[6a](B[6a]C[6a]N[6a]N)2(NN)	N[6a](B[6a]C[6a]N[6a]N)2(NN)	B[6a](C[6a]C[6a]2)(N[6a]B[6a]N)2(NN){1|N<3>,2|F<1>,2|N<2>,4|C<3>}	N[6a](B[6a]C[6a]N[6a]N)2(NN){1|B<4>,2|N<2>,4|C<3>}	N[6a](B[6a]C[6a]N[6a]N)2(NN){1|B<4>,2|N<2>,4|C<3>}	99.3414	0.769	3	99.3414	0.592	3	99.3414	0.592	3	99.3414	0.592	3	99.3414	0.592	3	99.1245	0.583	4
811	217	466	0:SP3_SP2_SP3	B[6,6,6a]	N[6a,6a]	C[6,6]	3:3:4:4:	4:3:3:	4:4:4:1:	N[6a,6a]-3:C[6a]-3:C[6,6]-4:C[6,6]-4:	B[6,6,6a]-4:C[6a,6a]-3:C[6a]-3:	B[6,6,6a]-4:C[6]-4:C[6]-4:H-1:	B[6,6,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)(C[6,6]C[6]2H)2	N[6a,6a](B[6,6,6a]C[6,6]2C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6,6](B[6,6,6a]N[6a,6a]C[6,6]C[6a])(C[6]C[6]HH)2(H)	B[6,6,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)(C[6,6]C[6]2H)2{2|C<4>,4|C<3>,9|H<1>}	N[6a,6a](B[6,6,6a]C[6,6]2C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){4|C<3>,4|C<4>,4|H<1>}	C[6,6](B[6,6,6a]N[6a,6a]C[6,6]C[6a])(C[6]C[6]HH)2(H){2|C<4>,4|C<3>,5|H<1>}	111.0460	4.397	2	111.0460	19.332	2	111.0460	19.332	2	111.0460	19.332	2	111.0460	19.332	2	111.0460	19.332	2
811	217	490	0:SP3_SP2_SP3	B[6a]	N[6,6a]	C	3:3:4:4:	3:4:3:	4:4:1:1:	C[6a,6a]-3:N[6,6a]-3:C-4:C-4:	C[6,6a]-3:B[6a]-4:C[6]-3:	B[6a]-4:C-4:H-1:H-1:	B[6a](C[6a,6a]C[3x6a]C[6a])(N[6,6a]C[6,6a]C[6])(CCHH)2	N[6,6a](C[6,6a]C[6a,6a]C[6])(B[6a]C[6a,6a]CC)(C[6]C[6]C)	C(B[6a]C[6a,6a]N[6,6a]C)(CH3)(H)2	B[6a](C[6a,6a]C[3x6a]C[6a])(N[6,6a]C[6,6a]C[6])(CCHH)2{1|C<4>,1|H<1>,5|C<3>}	N[6,6a](C[6,6a]C[6a,6a]C[6])(B[6a]C[6a,6a]CC)(C[6]C[6]C){2|H<1>,4|C<3>}	C(B[6a]C[6a,6a]N[6,6a]C)(CH3)(H)2	109.2350	1.140	2	109.2350	1.299	2	107.9546	3.804	8	107.9546	3.804	8	107.9546	3.804	8	107.9799	2.626	16
811	217	490	0:SP3_SP2_SP3	B[6a]	N[6,6a]	C	3:3:4:4:	3:4:3:	4:4:1:1:	C[6a,6a]-3:N[6,6a]-3:C-4:C-4:	C[6,6a]-3:B[6a]-4:C[6]-3:	B[6a]-4:C-4:H-1:H-1:	B[6a](C[6a,6a]C[3x6a]C[6a])(N[6,6a]C[6,6a]C[6])(CCHH)2	N[6,6a](C[6,6a]C[6a,6a]C[6])(B[6a]C[6a,6a]CC)(C[6]C[6]H)	C(B[6a]C[6a,6a]N[6,6a]C)(CH3)(H)2	B[6a](C[6a,6a]C[3x6a]C[6a])(N[6,6a]C[6,6a]C[6])(CCHH)2{2|H<1>,5|C<3>}	N[6,6a](C[6,6a]C[6a,6a]C[6])(B[6a]C[6a,6a]CC)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C(B[6a]C[6a,6a]N[6,6a]C)(CH3)(H)2	106.8360	2.374	2	107.5278	4.191	6	107.9546	3.804	8	107.9546	3.804	8	107.9546	3.804	8	107.9799	2.626	16
811	217	490	0:SP3_SP2_SP3	B[6a]	N[6,6a]	C	3:3:4:4:	3:4:3:	4:4:1:1:	C[6a,6a]-3:N[6,6a]-3:C-4:C-4:	C[6,6a]-3:B[6a]-4:C[6]-3:	B[6a]-4:C-4:H-1:H-1:	B[6a](C[6a,6a]C[3x6a]C[6a])(N[6,6a]C[6,6a]C[6])(CCHH)2	N[6,6a](C[6,6a]C[6a,6a]C[6])(B[6a]C[6a,6a]CC)(C[6]C[6]H)	C(B[6a]C[6a,6a]N[6,6a]C)(CH3)(H)2	B[6a](C[6a,6a]C[3x6a]C[6a])(N[6,6a]C[6,6a]C[6])(CCHH)2{2|H<1>,5|C<3>}	N[6,6a](C[6,6a]C[6a,6a]C[6])(B[6a]C[6a,6a]CC)(C[6]C[6]H){2|H<1>,4|C<3>}	C(B[6a]C[6a,6a]N[6,6a]C)(CH3)(H)2	107.8738	2.151	4	107.5278	4.191	6	107.9546	3.804	8	107.9546	3.804	8	107.9546	3.804	8	107.9799	2.626	16
811	217	490	0:SP3_SP2_SP3	B[6a]	N[6a,6a]	C	3:3:4:4:	3:4:3:	4:4:1:1:	N[6a,6a]-3:C[6a,6a]-3:C-4:C-4:	C[6a,6a]-3:B[6a]-4:C[6a]-3:	B[6a]-4:C-4:H-1:H-1:	B[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(CCHH)2	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]CC)(C[6a]C[6a]C)	C(B[6a]C[6a,6a]N[6a,6a]C)(CH3)(H)2	B[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(CCHH)2{1|C<4>,1|H<1>,5|C<3>}	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]CC)(C[6a]C[6a]C){2|H<1>,4|C<3>}	C(B[6a]C[6a,6a]N[6a,6a]C)(CH3)(H)2	108.5980	1.881	2	108.5980	3.538	2	108.0051	1.822	8	108.0051	1.822	8	108.0051	1.822	8	107.9799	2.626	16
811	217	490	0:SP3_SP2_SP3	B[6a]	N[6a,6a]	C	3:3:4:4:	3:4:3:	4:4:1:1:	N[6a,6a]-3:C[6a,6a]-3:C-4:C-4:	C[6a,6a]-3:B[6a]-4:C[6a]-3:	B[6a]-4:C-4:H-1:H-1:	B[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(CCHH)2	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]CC)(C[6a]C[6a]H)	C(B[6a]C[6a,6a]N[6a,6a]C)(CH3)(H)2	B[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(CCHH)2{2|H<1>,5|C<3>}	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	C(B[6a]C[6a,6a]N[6a,6a]C)(CH3)(H)2	106.9840	1.505	2	107.8075	1.656	6	108.0051	1.822	8	108.0051	1.822	8	108.0051	1.822	8	107.9799	2.626	16
811	217	490	0:SP3_SP2_SP3	B[6a]	N[6a,6a]	C	3:3:4:4:	3:4:3:	4:4:1:1:	N[6a,6a]-3:C[6a,6a]-3:C-4:C-4:	C[6a,6a]-3:B[6a]-4:C[6a]-3:	B[6a]-4:C-4:H-1:H-1:	B[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(CCHH)2	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]CC)(C[6a]C[6a]H)	C(B[6a]C[6a,6a]N[6a,6a]C)(CH3)(H)2	B[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(CCHH)2{2|H<1>,5|C<3>}	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]CC)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C(B[6a]C[6a,6a]N[6a,6a]C)(CH3)(H)2	108.2193	1.152	4	107.8075	1.656	6	108.0051	1.822	8	108.0051	1.822	8	108.0051	1.822	8	107.9799	2.626	16
811	217	622	0:SP3_SP2_SP2	B[6,6,6a]	N[6,6a]	O[6]	3:3:2:2:	4:2:3:	4:3:	C[6a,6a]-3:N[6,6a]-3:O[6,6]-2:O[6]-2:	B[6,6,6a]-4:N[6a]-2:C[6]-3:	B[6,6,6a]-4:C[6]-3:	B[6,6,6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]N[6a]C[6])(O[6,6]B[6,6,6a])(O[6]C[6])	N[6,6a](B[6,6,6a]C[6a,6a]O[6,6]O[6])(N[6a]C[6a])(C[6]O[6]C)	O[6](B[6,6,6a]C[6a,6a]N[6,6a]O[6,6])(C[6]N[6,6a]C)	B[6,6,6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]N[6a]C[6])(O[6,6]B[6,6,6a])(O[6]C[6]){1|H<1>,1|N<3>,1|O<2>,2|C<4>,4|C<3>}	N[6,6a](B[6,6,6a]C[6a,6a]O[6,6]O[6])(N[6a]C[6a])(C[6]O[6]C){1|B<4>,1|H<1>,3|C<3>}	O[6](B[6,6,6a]C[6a,6a]N[6,6a]O[6,6])(C[6]N[6,6a]C){1|B<4>,2|N<2>,3|C<3>}	102.9675	0.662	4	102.9675	0.439	4	102.9675	0.439	4	102.9675	0.439	4	102.9675	0.439	4	102.9675	0.439	4
811	217	622	6:SP3_SP2_SP2	B[6,6a]	N[6,6a]	O[6]	3:3:2:2:	4:3:3:	4:3:	N[6,6a]-3:C[6a]-3:O[6]-2:O[6a]-2:	B[6,6a]-4:C[6a,6a]-3:C[6]-3:	B[6,6a]-4:C[6,6a]-3:	B[6,6a](N[6,6a]C[6a,6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(O[6a]C[6a])	N[6,6a](B[6,6a]C[6a]O[6a]O[6])(C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]H)	O[6](B[6,6a]N[6,6a]C[6a]O[6a])(C[6,6a]C[6,6a]C[6a])	B[6,6a](N[6,6a]C[6a,6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(O[6a]C[6a]){1|O<1>,3|H<1>,6|C<3>}	N[6,6a](B[6,6a]C[6a]O[6a]O[6])(C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]H){1|H<1>,7|C<3>}	O[6](B[6,6a]N[6,6a]C[6a]O[6a])(C[6,6a]C[6,6a]C[6a]){1|H<1>,7|C<3>}	108.7520	0.829	3	108.7520	0.688	3	108.7520	0.688	3	108.7520	0.688	3	108.7520	0.688	3	108.7520	0.688	3
811	217	622	6:SP3_SP2_SP3	B[6,6,6a]	N[6,6a]	O[6,6]	3:3:2:2:	4:2:3:	4:4:	C[6a,6a]-3:N[6,6a]-3:O[6,6]-2:O[6]-2:	B[6,6,6a]-4:N[6a]-2:C[6]-3:	B[6,6,6a]-4:B[6,6,6a]-4:	B[6,6,6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]N[6a]C[6])(O[6,6]B[6,6,6a])(O[6]C[6])	N[6,6a](B[6,6,6a]C[6a,6a]O[6,6]O[6])(N[6a]C[6a])(C[6]O[6]C)	O[6,6](B[6,6,6a]C[6a,6a]N[6,6a]O[6])2	B[6,6,6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]N[6a]C[6])(O[6,6]B[6,6,6a])(O[6]C[6]){1|H<1>,1|N<3>,1|O<2>,2|C<4>,4|C<3>}	N[6,6a](B[6,6,6a]C[6a,6a]O[6,6]O[6])(N[6a]C[6a])(C[6]O[6]C){1|B<4>,1|H<1>,3|C<3>}	O[6,6](B[6,6,6a]C[6a,6a]N[6,6a]O[6])2{2|N<2>,6|C<3>}	109.5708	0.252	4	109.5708	0.063	4	109.5708	0.063	4	109.5708	0.063	4	109.5708	0.063	4	109.5708	0.063	4
811	217	643	0:SP3_SP2_SP2	B[3x6a]	N[6a,6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	N[5a,6a,6a]-3:C[5,6a,6a]-3:N[6a,6a]-3:C[6a]-3:	B[3x6a]-4:C[6a,6a]-3:C[6a]-3:	B[3x6a]-4:C[6a]-3:C[6a]-3:	B[3x6a](N[5a,6a,6a]C[5a,6a,6a]C[5a])(C[5,6a,6a]N[5,6a,6a]N[5])(N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	N[6a,6a](B[3x6a]N[5a,6a,6a]C[5,6a,6a]C[6a])(C[6a,6a]B[3x6a]C)(C[6a]C[6a]2)	C[6a](B[3x6a]N[5a,6a,6a]C[5,6a,6a]N[6a,6a])(C[6a]C[6a]H)2	B[3x6a](N[5a,6a,6a]C[5a,6a,6a]C[5a])(C[5,6a,6a]N[5,6a,6a]N[5])(N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|B<4>,1|C<2>,1|C<4>,1|N<3>,3|H<1>,7|C<3>}	N[6a,6a](B[3x6a]N[5a,6a,6a]C[5,6a,6a]C[6a])(C[6a,6a]B[3x6a]C)(C[6a]C[6a]2){2|C<4>,2|N<3>,7|C<3>}	C[6a](B[3x6a]N[5a,6a,6a]C[5,6a,6a]N[6a,6a])(C[6a]C[6a]H)2{2|H<1>,2|N<3>,5|C<3>}	119.9680	0.000	1	119.9680	0.000	1	119.9680	0.000	1	119.9680	0.000	1	119.9680	0.000	1	111.7422	14.468	12
811	217	643	0:SP3_SP2_SP2	B[6,6a]	N[6,6a]	C[6a]	3:3:2:2:	4:3:3:	4:3:3:	N[6,6a]-3:C[6a]-3:O[6]-2:O[6a]-2:	B[6,6a]-4:C[6a,6a]-3:C[6]-3:	B[6,6a]-4:C[6a]-3:C[6a]-3:	B[6,6a](N[6,6a]C[6a,6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(O[6a]C[6a])	N[6,6a](B[6,6a]C[6a]O[6a]O[6])(C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]H)	C[6a](B[6,6a]N[6,6a]O[6a]O[6])(C[6a]C[6a]H)2	B[6,6a](N[6,6a]C[6a,6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(O[6a]C[6a]){1|O<1>,3|H<1>,6|C<3>}	N[6,6a](B[6,6a]C[6a]O[6a]O[6])(C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]H){1|H<1>,7|C<3>}	C[6a](B[6,6a]N[6,6a]O[6a]O[6])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	110.7443	1.749	3	110.7443	3.061	3	110.7443	3.061	3	110.7443	3.061	3	110.7443	3.061	3	111.7422	14.468	12
811	217	643	0:SP3_SP2_SP2	B[6a]	N[6a]	C[6a]	3:3:3:2:	4:4:2:	4:3:3:	C[6a]-3:N[6a]-3:N[6a]-3:N-2:	B[6a]-4:B[6a]-4:N-2:	B[6a]-4:C[6a]-3:C[6a]-3:	B[6a](C[6a]C[6a]2)(N[6a]B[6a]N)2(NN)	N[6a](B[6a]C[6a]N[6a]N)2(NN)	C[6a](B[6a]N[6a]2N)(C[6a]C[6a]F)2	B[6a](C[6a]C[6a]2)(N[6a]B[6a]N)2(NN){1|N<3>,2|F<1>,2|N<2>,4|C<3>}	N[6a](B[6a]C[6a]N[6a]N)2(NN){1|B<4>,2|N<2>,4|C<3>}	C[6a](B[6a]N[6a]2N)(C[6a]C[6a]F)2{1|C<3>,2|B<4>,2|F<1>,2|N<2>}	111.8355	3.021	6	111.8355	9.129	6	111.8355	9.129	6	111.8355	9.129	6	111.0881	11.279	8	111.7422	14.468	12
811	217	643	0:SP3_SP2_SP2	B[6a]	N[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:N[6a]-3:	B[6a]-4:C[6a]-3:C[6a]-3:	B[6a]-4:C[6a]-3:C[6a]-3:	B[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(N[6a]C[6a]2)	N[6a](B[6a]C[6a,6a]C[6a]2)(C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](B[6a]C[6a,6a]C[6a]N[6a])(C[6a]C[6a]F)2	B[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(N[6a]C[6a]2){1|N<4>,1|O<1>,2|F<1>,3|H<1>,8|C<3>}	N[6a](B[6a]C[6a,6a]C[6a]2)(C[6a]C[6a]2)(C[6a]N[6a]O){2|C<4>,2|H<1>,8|C<3>}	C[6a](B[6a]C[6a,6a]C[6a]N[6a])(C[6a]C[6a]F)2{2|F<1>,7|C<3>}	105.6910	0.000	1	105.6910	0.000	1	108.8460	19.908	2	108.8460	19.908	2	111.0881	11.279	8	111.7422	14.468	12
811	217	643	0:SP3_SP2_SP2	B[6a]	N[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:N[6a]-3:	B[6a]-4:C[6a]-3:C[6a]-3:	B[6a]-4:C[6a]-3:C[6a]-3:	B[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(N[6a]C[6a]2)	N[6a](B[6a]C[6a,6a]C[6a]2)(C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](B[6a]C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	B[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(N[6a]C[6a]2){1|N<4>,1|O<1>,2|F<1>,3|H<1>,8|C<3>}	N[6a](B[6a]C[6a,6a]C[6a]2)(C[6a]C[6a]2)(C[6a]N[6a]O){2|C<4>,2|H<1>,8|C<3>}	C[6a](B[6a]C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	112.0010	0.000	1	112.0010	0.000	1	108.8460	19.908	2	108.8460	19.908	2	111.0881	11.279	8	111.7422	14.468	12
811	217	643	6:SP3_SP2_SP2	B[6,6,6a]	N[6,6a]	C[6a,6a]	3:3:2:2:	4:2:3:	4:3:3:	C[6a,6a]-3:N[6,6a]-3:O[6,6]-2:O[6]-2:	B[6,6,6a]-4:N[6a]-2:C[6]-3:	B[6,6,6a]-4:C[6a,6a]-3:C[6a]-3:	B[6,6,6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]N[6a]C[6])(O[6,6]B[6,6,6a])(O[6]C[6])	N[6,6a](B[6,6,6a]C[6a,6a]O[6,6]O[6])(N[6a]C[6a])(C[6]O[6]C)	C[6a,6a](B[6,6,6a]N[6,6a]O[6,6]O[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	B[6,6,6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]N[6a]C[6])(O[6,6]B[6,6,6a])(O[6]C[6]){1|H<1>,1|N<3>,1|O<2>,2|C<4>,4|C<3>}	N[6,6a](B[6,6,6a]C[6a,6a]O[6,6]O[6])(N[6a]C[6a])(C[6]O[6]C){1|B<4>,1|H<1>,3|C<3>}	C[6a,6a](B[6,6,6a]N[6,6a]O[6,6]O[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|B<4>,1|N<2>,3|C<3>,3|H<1>}	108.5925	0.891	4	108.5925	0.793	4	108.5925	0.793	4	108.5925	0.793	4	108.5925	0.793	4	107.1486	6.622	18
811	217	643	6:SP3_SP2_SP2	B[6,6,6a]	N[6a,6a]	C[6a]	3:3:4:4:	4:3:3:	4:3:3:	N[6a,6a]-3:C[6a]-3:C[6,6]-4:C[6,6]-4:	B[6,6,6a]-4:C[6a,6a]-3:C[6a]-3:	B[6,6,6a]-4:C[6a,6a]-3:C-3:	B[6,6,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)(C[6,6]C[6]2H)2	N[6a,6a](B[6,6,6a]C[6,6]2C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](B[6,6,6a]N[6a,6a]C[6,6]2)(C[6a,6a]C[6a,6a]C[6a])(CCH)	B[6,6,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)(C[6,6]C[6]2H)2{2|C<4>,4|C<3>,9|H<1>}	N[6a,6a](B[6,6,6a]C[6,6]2C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){4|C<3>,4|C<4>,4|H<1>}	C[6a](B[6,6,6a]N[6a,6a]C[6,6]2)(C[6a,6a]C[6a,6a]C[6a])(CCH){3|H<1>,4|C<3>,4|C<4>}	98.7816	0.000	1	98.7816	0.000	1	98.7816	0.000	1	98.7816	0.000	1	98.7816	0.000	1	107.1486	6.622	18
811	217	643	6:SP3_SP2_SP2	B[6,6a,6a]	N[6,6a,6a]	C[3x6a]	3:3:3:1:	4:3:3:	4:3:3:	N[6,6a,6a]-3:N[6,6a,6a]-3:C[3x6a]-3:H-1:	B[6,6a,6a]-4:N[6,6a,6a]-3:C[6a,6a]-3:	B[6,6a,6a]-4:C[3x6a]-3:C[6a]-3:	B[6,6a,6a](N[6,6a,6a]N[6,6a,6a]C[6a,6a])2(C[3x6a]C[3x6a]C[6a])(H)	N[6,6a,6a](B[6,6a,6a]N[6,6a,6a]C[3x6a]H)(N[6,6a,6a]B[6,6a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])	C[3x6a](B[6,6a,6a]N[6,6a,6a]2H)(C[3x6a]B[6,6a,6a]C[6a])(C[6a]C[6a]H)	B[6,6a,6a](N[6,6a,6a]N[6,6a,6a]C[6a,6a])2(C[3x6a]C[3x6a]C[6a])(H){1|B<4>,1|H<1>,8|C<3>}	N[6,6a,6a](B[6,6a,6a]N[6,6a,6a]C[3x6a]H)(N[6,6a,6a]B[6,6a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a]){1|N<3>,2|H<1>,7|C<3>}	C[3x6a](B[6,6a,6a]N[6,6a,6a]2H)(C[3x6a]B[6,6a,6a]C[6a])(C[6a]C[6a]H){2|N<3>,3|C<3>,3|H<1>}	109.7600	0.139	2	109.7600	0.019	2	109.7600	0.019	2	109.7600	0.019	2	109.7600	0.019	2	107.1486	6.622	18
811	217	643	6:SP3_SP2_SP2	B[6,6a]	N[6,6a]	C[6,6a]	3:3:2:2:	3:4:3:	4:3:3:	C[6,6a]-3:N[6,6a]-3:O[6a]-2:O-2:	C[6a,6a]-3:B[6,6a]-4:C[6]-3:	B[6,6a]-4:C[6,6a]-3:C[6a]-3:	B[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6a,6a]C[6])(O[6a]B[6a])(OC)	N[6,6a](C[6a,6a]C[6a,6a]C[6a])(B[6,6a]C[6,6a]O[6a]O)(C[6]N[6]H)	C[6,6a](B[6,6a]N[6,6a]O[6a]O)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	B[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6a,6a]C[6])(O[6a]B[6a])(OC){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	N[6,6a](C[6a,6a]C[6a,6a]C[6a])(B[6,6a]C[6,6a]O[6a]O)(C[6]N[6]H){1|B<3>,2|H<1>,4|C<3>}	C[6,6a](B[6,6a]N[6,6a]O[6a]O)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|B<3>,3|C<3>,3|H<1>}	107.9010	0.000	1	107.9010	0.000	1	107.9010	0.000	1	107.9010	0.000	1	107.9010	0.000	1	107.1486	6.622	18
811	217	643	6:SP3_SP2_SP2	B[6a]	N[6,6a]	C[6a,6a]	3:3:1:1:	3:4:3:	3:4:3:	C[6a,6a]-3:N[6,6a]-3:F-1:F-1:	C[6,6a]-3:B[6a]-4:C[6]-3:	C[3x6a]-3:B[6a]-4:C[6a]-3:	B[6a](C[6a,6a]C[3x6a]C[6a])(N[6,6a]C[6,6a]C[6])(F)2	N[6,6a](C[6,6a]C[6a,6a]C[6])(B[6a]C[6a,6a]FF)(C[6]C[6]H)	C[6a,6a](C[3x6a]C[6a,6a]2)(B[6a]N[6,6a]FF)(C[6a]C[6a]H)	B[6a](C[6a,6a]C[3x6a]C[6a])(N[6,6a]C[6,6a]C[6])(F)2{2|H<1>,5|C<3>}	N[6,6a](C[6,6a]C[6a,6a]C[6])(B[6a]C[6a,6a]FF)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(B[6a]N[6,6a]FF)(C[6a]C[6a]H){1|H<1>,5|C<3>}	110.3670	0.000	1	110.3670	0.000	1	110.3670	0.000	1	110.3670	0.000	1	107.1006	3.481	5	107.1486	6.622	18
811	217	643	6:SP3_SP2_SP2	B[6a]	N[6,6a]	C[6a,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[6a,6a]-3:N[6,6a]-3:C-4:C-4:	C[6,6a]-3:B[6a]-4:C[6]-3:	C[3x6a]-3:B[6a]-4:C[6a]-3:	B[6a](C[6a,6a]C[3x6a]C[6a])(N[6,6a]C[6,6a]C[6])(CCHH)2	N[6,6a](C[6,6a]C[6a,6a]C[6])(B[6a]C[6a,6a]CC)(C[6]C[6]C)	C[6a,6a](C[3x6a]C[6a,6a]2)(B[6a]N[6,6a]CC)(C[6a]C[6a]H)	B[6a](C[6a,6a]C[3x6a]C[6a])(N[6,6a]C[6,6a]C[6])(CCHH)2{1|C<4>,1|H<1>,5|C<3>}	N[6,6a](C[6,6a]C[6a,6a]C[6])(B[6a]C[6a,6a]CC)(C[6]C[6]C){2|H<1>,4|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(B[6a]N[6,6a]CC)(C[6a]C[6a]H){1|H<1>,5|C<3>}	106.5130	0.000	1	106.5130	0.000	1	106.2840	0.196	4	106.2840	0.196	4	107.1006	3.481	5	107.1486	6.622	18
811	217	643	6:SP3_SP2_SP2	B[6a]	N[6,6a]	C[6a,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[6a,6a]-3:N[6,6a]-3:C-4:C-4:	C[6,6a]-3:B[6a]-4:C[6]-3:	C[3x6a]-3:B[6a]-4:C[6a]-3:	B[6a](C[6a,6a]C[3x6a]C[6a])(N[6,6a]C[6,6a]C[6])(CCHH)2	N[6,6a](C[6,6a]C[6a,6a]C[6])(B[6a]C[6a,6a]CC)(C[6]C[6]H)	C[6a,6a](C[3x6a]C[6a,6a]2)(B[6a]N[6,6a]CC)(C[6a]C[6a]H)	B[6a](C[6a,6a]C[3x6a]C[6a])(N[6,6a]C[6,6a]C[6])(CCHH)2{2|H<1>,5|C<3>}	N[6,6a](C[6,6a]C[6a,6a]C[6])(B[6a]C[6a,6a]CC)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(B[6a]N[6,6a]CC)(C[6a]C[6a]H){1|H<1>,5|C<3>}	106.6400	0.000	1	106.2077	0.260	3	106.2840	0.196	4	106.2840	0.196	4	107.1006	3.481	5	107.1486	6.622	18
811	217	643	6:SP3_SP2_SP2	B[6a]	N[6,6a]	C[6a,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[6a,6a]-3:N[6,6a]-3:C-4:C-4:	C[6,6a]-3:B[6a]-4:C[6]-3:	C[3x6a]-3:B[6a]-4:C[6a]-3:	B[6a](C[6a,6a]C[3x6a]C[6a])(N[6,6a]C[6,6a]C[6])(CCHH)2	N[6,6a](C[6,6a]C[6a,6a]C[6])(B[6a]C[6a,6a]CC)(C[6]C[6]H)	C[6a,6a](C[3x6a]C[6a,6a]2)(B[6a]N[6,6a]CC)(C[6a]C[6a]H)	B[6a](C[6a,6a]C[3x6a]C[6a])(N[6,6a]C[6,6a]C[6])(CCHH)2{2|H<1>,5|C<3>}	N[6,6a](C[6,6a]C[6a,6a]C[6])(B[6a]C[6a,6a]CC)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(B[6a]N[6,6a]CC)(C[6a]C[6a]H){1|H<1>,5|C<3>}	105.9915	0.489	2	106.2077	0.260	3	106.2840	0.196	4	106.2840	0.196	4	107.1006	3.481	5	107.1486	6.622	18
811	217	643	6:SP3_SP2_SP2	B[6a]	N[6a,6a]	C[6a,6a]	3:3:4:4:	3:4:3:	3:4:3:	N[6a,6a]-3:C[6a,6a]-3:C-4:C-4:	C[6a,6a]-3:B[6a]-4:C[6a]-3:	C[3x6a]-3:B[6a]-4:C[6a]-3:	B[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(CCHH)2	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]CC)(C[6a]C[6a]C)	C[6a,6a](C[3x6a]C[6a,6a]2)(B[6a]N[6a,6a]CC)(C[6a]C[6a]H)	B[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(CCHH)2{1|C<4>,1|H<1>,5|C<3>}	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]CC)(C[6a]C[6a]C){2|H<1>,4|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(B[6a]N[6a,6a]CC)(C[6a]C[6a]H){1|H<1>,5|C<3>}	107.5730	0.000	1	107.5730	0.000	1	106.4813	0.559	4	106.4813	0.559	4	106.4813	0.559	4	107.1486	6.622	18
811	217	643	6:SP3_SP2_SP2	B[6a]	N[6a,6a]	C[6a,6a]	3:3:4:4:	3:4:3:	3:4:3:	N[6a,6a]-3:C[6a,6a]-3:C-4:C-4:	C[6a,6a]-3:B[6a]-4:C[6a]-3:	C[3x6a]-3:B[6a]-4:C[6a]-3:	B[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(CCHH)2	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]CC)(C[6a]C[6a]H)	C[6a,6a](C[3x6a]C[6a,6a]2)(B[6a]N[6a,6a]CC)(C[6a]C[6a]H)	B[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(CCHH)2{2|H<1>,5|C<3>}	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(B[6a]N[6a,6a]CC)(C[6a]C[6a]H){1|H<1>,5|C<3>}	105.9770	0.000	1	106.1173	0.044	3	106.4813	0.559	4	106.4813	0.559	4	106.4813	0.559	4	107.1486	6.622	18
811	217	643	6:SP3_SP2_SP2	B[6a]	N[6a,6a]	C[6a,6a]	3:3:4:4:	3:4:3:	3:4:3:	N[6a,6a]-3:C[6a,6a]-3:C-4:C-4:	C[6a,6a]-3:B[6a]-4:C[6a]-3:	C[3x6a]-3:B[6a]-4:C[6a]-3:	B[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(CCHH)2	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]CC)(C[6a]C[6a]H)	C[6a,6a](C[3x6a]C[6a,6a]2)(B[6a]N[6a,6a]CC)(C[6a]C[6a]H)	B[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(CCHH)2{2|H<1>,5|C<3>}	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]CC)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(B[6a]N[6a,6a]CC)(C[6a]C[6a]H){1|H<1>,5|C<3>}	106.1875	0.243	2	106.1173	0.044	3	106.4813	0.559	4	106.4813	0.559	4	106.4813	0.559	4	107.1486	6.622	18
811	217	643	6:SP3_SP2_SP2	B[6a]	N[6a]	C[6a,6a]	3:3:3:3:	4:3:3:	3:4:3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:N[6a]-3:	B[6a]-4:C[6a]-3:C[6a]-3:	C[6a,6a]-3:B[6a]-4:C[6a]-3:	B[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(N[6a]C[6a]2)	N[6a](B[6a]C[6a,6a]C[6a]2)(C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]N[6a])(B[6a]C[6a]2N[6a])(C[6a]C[6a]H)	B[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(N[6a]C[6a]2){1|N<4>,1|O<1>,2|F<1>,3|H<1>,8|C<3>}	N[6a](B[6a]C[6a,6a]C[6a]2)(C[6a]C[6a]2)(C[6a]N[6a]O){2|C<4>,2|H<1>,8|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(B[6a]C[6a]2N[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,7|C<3>}	106.6740	0.000	1	106.6740	0.000	1	106.6740	0.000	1	106.6740	0.000	1	106.6740	0.000	1	107.1486	6.622	18
811	217	727	6:SP3_SP2_SP2	B[3x6a]	N[6a,6a]	C[5,6a,6a]	3:3:3:3:	4:3:3:	4:3:3:	N[5a,6a,6a]-3:C[5,6a,6a]-3:N[6a,6a]-3:C[6a]-3:	B[3x6a]-4:C[6a,6a]-3:C[6a]-3:	B[3x6a]-4:N[5,6a,6a]-3:N[5]-3:	B[3x6a](N[5a,6a,6a]C[5a,6a,6a]C[5a])(C[5,6a,6a]N[5,6a,6a]N[5])(N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	N[6a,6a](B[3x6a]N[5a,6a,6a]C[5,6a,6a]C[6a])(C[6a,6a]B[3x6a]C)(C[6a]C[6a]2)	C[5,6a,6a](B[3x6a]N[5a,6a,6a]N[6a,6a]C[6a])(N[5,6a,6a]B[3x6a]C[5])(N[5]C[5]C)	B[3x6a](N[5a,6a,6a]C[5a,6a,6a]C[5a])(C[5,6a,6a]N[5,6a,6a]N[5])(N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|B<4>,1|C<2>,1|C<4>,1|N<3>,3|H<1>,7|C<3>}	N[6a,6a](B[3x6a]N[5a,6a,6a]C[5,6a,6a]C[6a])(C[6a,6a]B[3x6a]C)(C[6a]C[6a]2){2|C<4>,2|N<3>,7|C<3>}	C[5,6a,6a](B[3x6a]N[5a,6a,6a]N[6a,6a]C[6a])(N[5,6a,6a]B[3x6a]C[5])(N[5]C[5]C){2|H<1>,7|C<3>}	102.9350	0.000	1	102.9350	0.000	1	102.9350	0.000	1	102.9350	0.000	1	102.9350	0.000	1	102.9350	0.000	1
811	217	813	6:SP3_SP2_SP2	B[3x6a]	N[6a,6a]	N[5a,6a,6a]	3:3:3:3:	4:3:3:	4:3:3:	N[5a,6a,6a]-3:C[5,6a,6a]-3:N[6a,6a]-3:C[6a]-3:	B[3x6a]-4:C[6a,6a]-3:C[6a]-3:	B[3x6a]-4:C[5a,6a,6a]-3:C[5a]-3:	B[3x6a](N[5a,6a,6a]C[5a,6a,6a]C[5a])(C[5,6a,6a]N[5,6a,6a]N[5])(N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	N[6a,6a](B[3x6a]N[5a,6a,6a]C[5,6a,6a]C[6a])(C[6a,6a]B[3x6a]C)(C[6a]C[6a]2)	N[5a,6a,6a](B[3x6a]C[5,6a,6a]N[6a,6a]C[6a])(C[5a,6a,6a]B[3x6a]N[5a])(C[5a]C[5a]H)	B[3x6a](N[5a,6a,6a]C[5a,6a,6a]C[5a])(C[5,6a,6a]N[5,6a,6a]N[5])(N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|B<4>,1|C<2>,1|C<4>,1|N<3>,3|H<1>,7|C<3>}	N[6a,6a](B[3x6a]N[5a,6a,6a]C[5,6a,6a]C[6a])(C[6a,6a]B[3x6a]C)(C[6a]C[6a]2){2|C<4>,2|N<3>,7|C<3>}	N[5a,6a,6a](B[3x6a]C[5,6a,6a]N[6a,6a]C[6a])(C[5a,6a,6a]B[3x6a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,2|N<3>,5|C<3>}	103.2500	0.000	1	103.2500	0.000	1	103.2500	0.000	1	103.2500	0.000	1	103.2500	0.000	1	103.2500	0.000	1
811	217	813	6:SP3_SP2_SP3	B[6,6a]	N[6,6a]	N[5a,6a]	3:3:3:3:	4:3:3:	4:3:3:	N[5a,6a]-3:N[6,6a]-3:N[6]-3:N[6]-3:	B[6,6a]-4:B[6,6a]-3:C[6]-3:	B[6,6a]-4:B[5a,6a]-3:C[5a]-3:	B[6,6a](N[5a,6a]B[5a,6a]C[5a])(N[6,6a]B[6,6a]C[6])(N[6]C[6a]N[6])2	N[6,6a](B[6,6a]N[5a,6a]N[6]2)(B[6,6a]N[6a]N[6])(C[6]C[6a]N[6])	N[5a,6a](B[6,6a]N[6,6a]N[6]2)(B[5a,6a]N[5a]N[6a])(C[5a]C[6a]N[5a])	B[6,6a](N[5a,6a]B[5a,6a]C[5a])(N[6,6a]B[6,6a]C[6])(N[6]C[6a]N[6])2{2|N<2>,3|N<3>,7|C<3>}	N[6,6a](B[6,6a]N[5a,6a]N[6]2)(B[6,6a]N[6a]N[6])(C[6]C[6a]N[6]){1|B<3>,1|N<3>,2|N<2>,7|C<3>}	N[5a,6a](B[6,6a]N[6,6a]N[6]2)(B[5a,6a]N[5a]N[6a])(C[5a]C[6a]N[5a]){1|B<3>,2|N<2>,7|C<3>}	107.7250	0.000	1	107.7250	0.000	1	107.7250	0.000	1	107.7250	0.000	1	107.7250	0.000	1	107.7250	0.000	1
811	217	830	0:SP3_SP-NON_SP2	B[6a]	N[6,6a]	F	3:3:1:1:	3:4:3:	4:	C[6a,6a]-3:N[6,6a]-3:F-1:F-1:	C[6,6a]-3:B[6a]-4:C[6]-3:	B[6a]-4:	B[6a](C[6a,6a]C[3x6a]C[6a])(N[6,6a]C[6,6a]C[6])(F)2	N[6,6a](C[6,6a]C[6a,6a]C[6])(B[6a]C[6a,6a]FF)(C[6]C[6]H)	F(B[6a]C[6a,6a]N[6,6a]F)	B[6a](C[6a,6a]C[3x6a]C[6a])(N[6,6a]C[6,6a]C[6])(F)2{2|H<1>,5|C<3>}	N[6,6a](C[6,6a]C[6a,6a]C[6])(B[6a]C[6a,6a]FF)(C[6]C[6]H){2|H<1>,4|C<3>}	F(B[6a]C[6a,6a]N[6,6a]F)	105.6945	1.170	2	105.6945	1.370	2	105.6945	1.370	2	105.6945	1.370	2	105.6945	1.370	2	105.6945	1.370	2
811	217	856	0:SP3_SP2_SP2	B[6,6a]	N[6,6a]	N[6]	3:3:3:3:	4:3:3:	4:3:2:	N[5a,6a]-3:N[6,6a]-3:N[6]-3:N[6]-3:	B[6,6a]-4:B[6,6a]-3:C[6]-3:	B[6,6a]-4:C[6a]-3:N[6]-2:	B[6,6a](N[5a,6a]B[5a,6a]C[5a])(N[6,6a]B[6,6a]C[6])(N[6]C[6a]N[6])2	N[6,6a](B[6,6a]N[5a,6a]N[6]2)(B[6,6a]N[6a]N[6])(C[6]C[6a]N[6])	N[6](B[6,6a]N[5a,6a]N[6,6a]N[6])(C[6a]C[6a]2)(N[6]C[6])	B[6,6a](N[5a,6a]B[5a,6a]C[5a])(N[6,6a]B[6,6a]C[6])(N[6]C[6a]N[6])2{2|N<2>,3|N<3>,7|C<3>}	N[6,6a](B[6,6a]N[5a,6a]N[6]2)(B[6,6a]N[6a]N[6])(C[6]C[6a]N[6]){1|B<3>,1|N<3>,2|N<2>,7|C<3>}	N[6](B[6,6a]N[5a,6a]N[6,6a]N[6])(C[6a]C[6a]2)(N[6]C[6]){1|N<2>,2|B<3>,2|H<1>,6|C<3>}	111.8095	1.709	2	111.8095	2.921	2	111.8095	2.921	2	111.8095	2.921	2	111.8095	2.921	2	111.8095	2.921	2
811	217	893	0:SP3_SP2_SP3	B[6,6a]	N[6,6a]	O	3:3:2:2:	3:4:3:	4:4:	C[6,6a]-3:N[6,6a]-3:O[6a]-2:O-2:	C[6a,6a]-3:B[6,6a]-4:C[6]-3:	B[6,6a]-4:C-4:	B[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6a,6a]C[6])(O[6a]B[6a])(OC)	N[6,6a](C[6a,6a]C[6a,6a]C[6a])(B[6,6a]C[6,6a]O[6a]O)(C[6]N[6]H)	O(B[6,6a]C[6,6a]N[6,6a]O[6a])(CH3)	B[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6a,6a]C[6])(O[6a]B[6a])(OC){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	N[6,6a](C[6a,6a]C[6a,6a]C[6a])(B[6,6a]C[6,6a]O[6a]O)(C[6]N[6]H){1|B<3>,2|H<1>,4|C<3>}	O(B[6,6a]C[6,6a]N[6,6a]O[6a])(CH3)	108.2640	0.000	1	108.2640	0.000	1	108.2640	0.000	1	108.2640	0.000	1	108.2640	0.000	1	108.2640	0.000	1
811	217	933	6:SP3_SP2_SP2	B[6,6a]	N[6,6a]	O[6a]	3:3:2:2:	3:4:3:	4:3:	C[6,6a]-3:N[6,6a]-3:O[6a]-2:O-2:	C[6a,6a]-3:B[6,6a]-4:C[6]-3:	B[6,6a]-4:B[6a]-3:	B[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6a,6a]C[6])(O[6a]B[6a])(OC)	N[6,6a](C[6a,6a]C[6a,6a]C[6a])(B[6,6a]C[6,6a]O[6a]O)(C[6]N[6]H)	O[6a](B[6,6a]C[6,6a]N[6,6a]O)(B[6a]C[6a,6a]O)	B[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6a,6a]C[6])(O[6a]B[6a])(OC){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	N[6,6a](C[6a,6a]C[6a,6a]C[6a])(B[6,6a]C[6,6a]O[6a]O)(C[6]N[6]H){1|B<3>,2|H<1>,4|C<3>}	O[6a](B[6,6a]C[6,6a]N[6,6a]O)(B[6a]C[6a,6a]O){5|C<3>}	109.8260	0.000	1	109.8260	0.000	1	109.8260	0.000	1	109.8260	0.000	1	108.3473	1.253	4	108.3473	1.253	4
811	217	933	6:SP3_SP2_SP2	B[6,6a]	N[6,6a]	O[6a]	3:3:2:2:	4:3:3:	4:3:	N[6,6a]-3:C[6a]-3:O[6]-2:O[6a]-2:	B[6,6a]-4:C[6a,6a]-3:C[6]-3:	B[6,6a]-4:C[6a]-3:	B[6,6a](N[6,6a]C[6a,6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(O[6a]C[6a])	N[6,6a](B[6,6a]C[6a]O[6a]O[6])(C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]H)	O[6a](B[6,6a]N[6,6a]C[6a]O[6])(C[6a]C[6a,6a]O)	B[6,6a](N[6,6a]C[6a,6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(O[6a]C[6a]){1|O<1>,3|H<1>,6|C<3>}	N[6,6a](B[6,6a]C[6a]O[6a]O[6])(C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]H){1|H<1>,7|C<3>}	O[6a](B[6,6a]N[6,6a]C[6a]O[6])(C[6a]C[6a,6a]O){6|C<3>}	107.8543	0.649	3	107.8543	0.421	3	107.8543	0.421	3	107.8543	0.421	3	108.3473	1.253	4	108.3473	1.253	4
811	217	941	0:SP3_SP2_SP2	B[6a]	N[6a]	N	3:3:3:2:	4:4:2:	4:2:	C[6a]-3:N[6a]-3:N[6a]-3:N-2:	B[6a]-4:B[6a]-4:N-2:	B[6a]-4:N-2:	B[6a](C[6a]C[6a]2)(N[6a]B[6a]N)2(NN)	N[6a](B[6a]C[6a]N[6a]N)2(NN)	N(B[6a]C[6a]N[6a]2)(NN)	B[6a](C[6a]C[6a]2)(N[6a]B[6a]N)2(NN){1|N<3>,2|F<1>,2|N<2>,4|C<3>}	N[6a](B[6a]C[6a]N[6a]N)2(NN){1|B<4>,2|N<2>,4|C<3>}	N(B[6a]C[6a]N[6a]2)(NN)	108.2995	1.243	6	108.2995	1.545	6	108.2995	1.545	6	108.2995	1.545	6	108.2995	1.545	6	108.2995	1.545	6
811	217	951	0:SP3_SP-NON_SP2	B[6,6a,6a]	N[6,6a,6a]	H	3:3:3:1:	4:3:3:	4:	N[6,6a,6a]-3:N[6,6a,6a]-3:C[3x6a]-3:H-1:	B[6,6a,6a]-4:N[6,6a,6a]-3:C[6a,6a]-3:	B[6,6a,6a]-4:	B[6,6a,6a](N[6,6a,6a]N[6,6a,6a]C[6a,6a])2(C[3x6a]C[3x6a]C[6a])(H)	N[6,6a,6a](B[6,6a,6a]N[6,6a,6a]C[3x6a]H)(N[6,6a,6a]B[6,6a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])	H(B[6,6a,6a]N[6,6a,6a]2C[3x6a])	B[6,6a,6a](N[6,6a,6a]N[6,6a,6a]C[6a,6a])2(C[3x6a]C[3x6a]C[6a])(H){1|B<4>,1|H<1>,8|C<3>}	N[6,6a,6a](B[6,6a,6a]N[6,6a,6a]C[3x6a]H)(N[6,6a,6a]B[6,6a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a]){1|N<3>,2|H<1>,7|C<3>}	H(B[6,6a,6a]N[6,6a,6a]2C[3x6a])	111.3220	0.066	2	111.3220	0.004	2	111.3220	0.004	2	111.3220	0.004	2	111.3220	0.004	2	111.3220	0.004	2
811	466	466	6:SP3_SP3_SP3	B[6,6,6a]	C[6,6]	C[6,6]	3:3:4:4:	4:4:4:1:	4:4:4:1:	N[6a,6a]-3:C[6a]-3:C[6,6]-4:C[6,6]-4:	B[6,6,6a]-4:C[6]-4:C[6]-4:H-1:	B[6,6,6a]-4:C[6]-4:C[6]-4:H-1:	B[6,6,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)(C[6,6]C[6]2H)2	C[6,6](B[6,6,6a]N[6a,6a]C[6,6]C[6a])(C[6]C[6]HH)2(H)	C[6,6](B[6,6,6a]N[6a,6a]C[6,6]C[6a])(C[6]C[6]HH)2(H)	B[6,6,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)(C[6,6]C[6]2H)2{2|C<4>,4|C<3>,9|H<1>}	C[6,6](B[6,6,6a]N[6a,6a]C[6,6]C[6a])(C[6]C[6]HH)2(H){2|C<4>,4|C<3>,5|H<1>}	C[6,6](B[6,6,6a]N[6a,6a]C[6,6]C[6a])(C[6]C[6]HH)2(H){2|C<4>,4|C<3>,5|H<1>}	104.3460	0.000	1	104.3460	0.000	1	104.3460	0.000	1	104.3460	0.000	1	104.3460	0.000	1	104.3460	0.000	1
811	466	643	0:SP3_SP2_SP3	B[6,6,6a]	C[6,6]	C[6a]	3:3:4:3:	4:3:3:3:	4:3:3:	C[5a,6,6a]-3:N[5a,6,6a]-3:C[6,6]-4:C[6a]-3:	B[6,6,6a]-4:C[6,6]-3:C[6a]-3:C[6a]-3:	B[6,6,6a]-4:C[6a]-3:C[6a]-3:	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(C[6,6]C[6,6]C[6a]2)(C[6a]C[6a]2)	C[6,6](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6a])(C[6,6]B[6,6,6a]C)(C[6a]C[6a]2)2	C[6a](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6,6])(C[6a]C[6a]H)2	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(C[6,6]C[6,6]C[6a]2)(C[6a]C[6a]2){10|C<3>,1|B<4>,1|C<4>,1|N<3>,3|H<1>}	C[6,6](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6a])(C[6,6]B[6,6,6a]C)(C[6a]C[6a]2)2{2|N<3>,4|H<1>,9|C<3>}	C[6a](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6,6])(C[6a]C[6a]H)2{2|H<1>,2|N<3>,6|C<3>}	121.9575	0.694	2	121.9575	0.481	2	121.9575	0.481	2	121.9575	0.481	2	117.9719	9.054	10	117.9719	9.054	10
811	466	643	0:SP3_SP2_SP3	B[6,6,6a]	C[6,6]	C[6a]	3:3:4:3:	4:4:1:1:	4:3:3:	C[5a,6,6a]-3:N[5a,6,6a]-3:C[6,6]-4:C[6a]-3:	B[6,6,6a]-4:C[6,6]-4:H-1:H-1:	B[6,6,6a]-4:C[6a]-3:C[6a]-3:	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(C[6,6]C[6,6]HH)(C[6a]C[6a]2)	C[6,6](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6a])(C[6,6]B[6,6,6a]C[6a]H)(H)2	C[6a](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6,6])(C[6a]C[6a]H)2	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(C[6,6]C[6,6]HH)(C[6a]C[6a]2){1|B<4>,1|C<4>,1|N<3>,4|H<1>,6|C<3>}	C[6,6](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6a])(C[6,6]B[6,6,6a]C[6a]H)(H)2{2|N<3>,7|C<3>}	C[6a](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6,6])(C[6a]C[6a]H)2{1|C<4>,2|N<3>,3|C<3>,4|H<1>}	117.1860	0.000	1	117.1860	0.000	1	117.1860	0.000	1	115.6113	1.907	3	117.9719	9.054	10	117.9719	9.054	10
811	466	643	0:SP3_SP2_SP3	B[6,6,6a]	C[6,6]	C[6a]	3:3:4:3:	4:4:1:1:	4:3:3:	N[5,6,6a]-3:N[5,6,6a]-3:C[6,6]-4:C[6a]-3:	B[6,6,6a]-4:C[6,6]-4:H-1:H-1:	B[6,6,6a]-4:C[6a]-3:C[6a]-3:	B[6,6,6a](N[5,6,6a]C[5,6,6a]C[5])2(C[6,6]C[6,6]HH)(C[6a]C[6a]2)	C[6,6](B[6,6,6a]N[5,6,6a]2C[6a])(C[6,6]B[6,6,6a]C[6a]H)(H)2	C[6a](B[6,6,6a]N[5,6,6a]2C[6,6])(C[6a]C[6a]H)2	B[6,6,6a](N[5,6,6a]C[5,6,6a]C[5])2(C[6,6]C[6,6]HH)(C[6a]C[6a]2){1|B<4>,2|O<2>,3|C<3>,3|H<1>,6|C<4>}	C[6,6](B[6,6,6a]N[5,6,6a]2C[6a])(C[6,6]B[6,6,6a]C[6a]H)(H)2{2|C<4>,7|C<3>}	C[6a](B[6,6,6a]N[5,6,6a]2C[6,6])(C[6a]C[6a]H)2{3|C<3>,3|C<4>,4|H<1>}	114.8240	0.307	2	114.8240	0.094	2	114.8240	0.094	2	115.6113	1.907	3	117.9719	9.054	10	117.9719	9.054	10
811	466	643	0:SP3_SP2_SP3	B[6,6,6a]	C[6,6]	C[6a]	3:3:4:3:	4:4:3:1:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6]-4:C[6a]-3:	B[6,6,6a]-4:C[6,6]-4:C[6a]-3:H-1:	B[6,6,6a]-4:C[6a]-3:C[6a]-3:	B[6,6,6a](C[5,6,6a]N[5,6,6a]O[5])2(C[6,6]C[6,6]C[6a]H)(C[6a]C[6a]2)	C[6,6](B[6,6,6a]C[5,6,6a]2C[6a])(C[6,6]B[6,6,6a]HH)(C[6a]C[6a]2)(H)	C[6a](B[6,6,6a]C[5,6,6a]2C[6,6])(C[6a]C[6a]H)2	B[6,6,6a](C[5,6,6a]N[5,6,6a]O[5])2(C[6,6]C[6,6]C[6a]H)(C[6a]C[6a]2){1|B<4>,4|C<3>,4|C<4>,4|H<1>}	C[6,6](B[6,6,6a]C[5,6,6a]2C[6a])(C[6,6]B[6,6,6a]HH)(C[6a]C[6a]2)(H){2|H<1>,2|N<3>,2|O<2>,5|C<3>}	C[6a](B[6,6,6a]C[5,6,6a]2C[6,6])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|N<3>,2|O<2>,3|H<1>}	118.0155	0.189	2	118.0155	0.036	2	118.0155	0.036	2	119.1350	3.778	3	117.9719	9.054	10	117.9719	9.054	10
811	466	643	0:SP3_SP2_SP3	B[6,6,6a]	C[6,6]	C[6a]	3:3:4:3:	4:4:3:1:	4:3:3:	C[5a,6,6a]-3:N[5a,6,6a]-3:C[6,6]-4:C[6a]-3:	B[6,6,6a]-4:C[6,6]-4:C[6a]-3:H-1:	B[6,6,6a]-4:C[6a]-3:C[6a]-3:	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(C[6,6]C[6,6]C[6a]H)(C[6a]C[6a]2)	C[6,6](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6a])(C[6,6]B[6,6,6a]HH)(C[6a]C[6a]2)(H)	C[6a](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6,6])(C[6a]C[6a]H)2	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(C[6,6]C[6,6]C[6a]H)(C[6a]C[6a]2){1|B<4>,1|C<4>,1|N<3>,5|H<1>,7|C<3>}	C[6,6](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6a])(C[6,6]B[6,6,6a]HH)(C[6a]C[6a]2)(H){2|H<1>,2|N<3>,7|C<3>}	C[6a](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6,6])(C[6a]C[6a]H)2{1|C<4>,2|N<3>,3|H<1>,4|C<3>}	121.3740	0.000	1	121.3740	0.000	1	121.3740	0.000	1	119.1350	3.778	3	117.9719	9.054	10	117.9719	9.054	10
811	466	643	0:SP3_SP2_SP3	B[6,6,6a]	C[6,6]	C[6a]	3:3:4:4:	4:4:4:1:	4:3:3:	N[6a,6a]-3:C[6a]-3:C[6,6]-4:C[6,6]-4:	B[6,6,6a]-4:C[6]-4:C[6]-4:H-1:	B[6,6,6a]-4:C[6a,6a]-3:C-3:	B[6,6,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)(C[6,6]C[6]2H)2	C[6,6](B[6,6,6a]N[6a,6a]C[6,6]C[6a])(C[6]C[6]HH)2(H)	C[6a](B[6,6,6a]N[6a,6a]C[6,6]2)(C[6a,6a]C[6a,6a]C[6a])(CCH)	B[6,6,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)(C[6,6]C[6]2H)2{2|C<4>,4|C<3>,9|H<1>}	C[6,6](B[6,6,6a]N[6a,6a]C[6,6]C[6a])(C[6]C[6]HH)2(H){2|C<4>,4|C<3>,5|H<1>}	C[6a](B[6,6,6a]N[6a,6a]C[6,6]2)(C[6a,6a]C[6a,6a]C[6a])(CCH){3|H<1>,4|C<3>,4|C<4>}	115.7825	2.740	2	115.7825	7.508	2	115.7825	7.508	2	115.7825	7.508	2	117.9719	9.054	10	117.9719	9.054	10
811	466	727	6:SP3_SP2_SP3	B[6,6,6a]	C[6,6]	C[5,6,6a]	3:3:4:3:	4:4:3:1:	4:3:2:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6]-4:C[6a]-3:	B[6,6,6a]-4:C[6,6]-4:C[6a]-3:H-1:	B[6,6,6a]-4:N[5,6,6a]-3:O[5]-2:	B[6,6,6a](C[5,6,6a]N[5,6,6a]O[5])2(C[6,6]C[6,6]C[6a]H)(C[6a]C[6a]2)	C[6,6](B[6,6,6a]C[5,6,6a]2C[6a])(C[6,6]B[6,6,6a]HH)(C[6a]C[6a]2)(H)	C[5,6,6a](B[6,6,6a]C[5,6,6a]C[6,6]C[6a])(N[5,6,6a]B[6,6,6a]C[5])(O[5]C[5])	B[6,6,6a](C[5,6,6a]N[5,6,6a]O[5])2(C[6,6]C[6,6]C[6a]H)(C[6a]C[6a]2){1|B<4>,4|C<3>,4|C<4>,4|H<1>}	C[6,6](B[6,6,6a]C[5,6,6a]2C[6a])(C[6,6]B[6,6,6a]HH)(C[6a]C[6a]2)(H){2|H<1>,2|N<3>,2|O<2>,5|C<3>}	C[5,6,6a](B[6,6,6a]C[5,6,6a]C[6,6]C[6a])(N[5,6,6a]B[6,6,6a]C[5])(O[5]C[5]){1|N<3>,1|O<2>,3|C<4>,3|H<1>,4|C<3>}	100.9291	2.019	4	100.9291	4.075	4	100.9291	4.075	4	100.9291	4.075	4	100.9291	4.075	4	102.6542	5.810	8
811	466	727	6:SP3_SP2_SP3	B[6,6,6a]	C[6,6]	C[5a,6,6a]	3:3:4:3:	4:3:3:3:	4:3:3:	C[5a,6,6a]-3:N[5a,6,6a]-3:C[6,6]-4:C[6a]-3:	B[6,6,6a]-4:C[6,6]-3:C[6a]-3:C[6a]-3:	B[6,6,6a]-4:N[5a,6,6a]-3:N[5a]-3:	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(C[6,6]C[6,6]C[6a]2)(C[6a]C[6a]2)	C[6,6](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6a])(C[6,6]B[6,6,6a]C)(C[6a]C[6a]2)2	C[5a,6,6a](B[6,6,6a]N[5a,6,6a]C[6,6]C[6a])(N[5a,6,6a]B[6,6,6a]C[5a])(N[5a]C[5a]C)	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(C[6,6]C[6,6]C[6a]2)(C[6a]C[6a]2){10|C<3>,1|B<4>,1|C<4>,1|N<3>,3|H<1>}	C[6,6](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6a])(C[6,6]B[6,6,6a]C)(C[6a]C[6a]2)2{2|N<3>,4|H<1>,9|C<3>}	C[5a,6,6a](B[6,6,6a]N[5a,6,6a]C[6,6]C[6a])(N[5a,6,6a]B[6,6,6a]C[5a])(N[5a]C[5a]C){2|H<1>,8|C<3>}	105.3455	0.114	2	105.3455	0.013	2	105.3455	0.013	2	105.3455	0.013	2	104.3792	1.546	4	102.6542	5.810	8
811	466	727	6:SP3_SP2_SP3	B[6,6,6a]	C[6,6]	C[5a,6,6a]	3:3:4:3:	4:4:1:1:	4:3:3:	C[5a,6,6a]-3:N[5a,6,6a]-3:C[6,6]-4:C[6a]-3:	B[6,6,6a]-4:C[6,6]-4:H-1:H-1:	B[6,6,6a]-4:N[5a,6,6a]-3:N[5a]-3:	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(C[6,6]C[6,6]HH)(C[6a]C[6a]2)	C[6,6](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6a])(C[6,6]B[6,6,6a]C[6a]H)(H)2	C[5a,6,6a](B[6,6,6a]N[5a,6,6a]C[6,6]C[6a])(N[5a,6,6a]B[6,6,6a]C[5a])(N[5a]C[5a]C)	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(C[6,6]C[6,6]HH)(C[6a]C[6a]2){1|B<4>,1|C<4>,1|N<3>,4|H<1>,6|C<3>}	C[6,6](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6a])(C[6,6]B[6,6,6a]C[6a]H)(H)2{2|N<3>,7|C<3>}	C[5a,6,6a](B[6,6,6a]N[5a,6,6a]C[6,6]C[6a])(N[5a,6,6a]B[6,6,6a]C[5a])(N[5a]C[5a]C){1|C<4>,4|H<1>,5|C<3>}	102.7460	0.000	1	102.7460	0.000	1	102.7460	0.000	1	102.7460	0.000	1	104.3792	1.546	4	102.6542	5.810	8
811	466	727	6:SP3_SP2_SP3	B[6,6,6a]	C[6,6]	C[5a,6,6a]	3:3:4:3:	4:4:3:1:	4:3:3:	C[5a,6,6a]-3:N[5a,6,6a]-3:C[6,6]-4:C[6a]-3:	B[6,6,6a]-4:C[6,6]-4:C[6a]-3:H-1:	B[6,6,6a]-4:N[5a,6,6a]-3:N[5a]-3:	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(C[6,6]C[6,6]C[6a]H)(C[6a]C[6a]2)	C[6,6](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6a])(C[6,6]B[6,6,6a]HH)(C[6a]C[6a]2)(H)	C[5a,6,6a](B[6,6,6a]N[5a,6,6a]C[6,6]C[6a])(N[5a,6,6a]B[6,6,6a]C[5a])(N[5a]C[5a]C)	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(C[6,6]C[6,6]C[6a]H)(C[6a]C[6a]2){1|B<4>,1|C<4>,1|N<3>,5|H<1>,7|C<3>}	C[6,6](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6a])(C[6,6]B[6,6,6a]HH)(C[6a]C[6a]2)(H){2|H<1>,2|N<3>,7|C<3>}	C[5a,6,6a](B[6,6,6a]N[5a,6,6a]C[6,6]C[6a])(N[5a,6,6a]B[6,6,6a]C[5a])(N[5a]C[5a]C){1|C<4>,3|H<1>,6|C<3>}	104.0800	0.000	1	104.0800	0.000	1	104.0800	0.000	1	104.0800	0.000	1	104.3792	1.546	4	102.6542	5.810	8
811	466	813	6:SP3_SP2_SP3	B[6,6,6a]	C[6,6]	N[5,6,6a]	3:3:4:3:	4:4:1:1:	4:3:4:	N[5,6,6a]-3:N[5,6,6a]-3:C[6,6]-4:C[6a]-3:	B[6,6,6a]-4:C[6,6]-4:H-1:H-1:	B[6,6,6a]-4:C[5,6,6a]-3:C[5]-4:	B[6,6,6a](N[5,6,6a]C[5,6,6a]C[5])2(C[6,6]C[6,6]HH)(C[6a]C[6a]2)	C[6,6](B[6,6,6a]N[5,6,6a]2C[6a])(C[6,6]B[6,6,6a]C[6a]H)(H)2	N[5,6,6a](B[6,6,6a]N[5,6,6a]C[6,6]C[6a])(C[5,6,6a]B[6,6,6a]O[5])(C[5]C[5]CC)	B[6,6,6a](N[5,6,6a]C[5,6,6a]C[5])2(C[6,6]C[6,6]HH)(C[6a]C[6a]2){1|B<4>,2|O<2>,3|C<3>,3|H<1>,6|C<4>}	C[6,6](B[6,6,6a]N[5,6,6a]2C[6a])(C[6,6]B[6,6,6a]C[6a]H)(H)2{2|C<4>,7|C<3>}	N[5,6,6a](B[6,6,6a]N[5,6,6a]C[6,6]C[6a])(C[5,6,6a]B[6,6,6a]O[5])(C[5]C[5]CC){2|C<4>,4|C<3>,4|H<1>}	104.4215	0.422	4	104.4215	0.178	4	104.4215	0.178	4	104.4215	0.178	4	104.4215	0.178	4	103.1024	2.844	8
811	466	813	6:SP3_SP2_SP3	B[6,6,6a]	C[6,6]	N[5a,6,6a]	3:3:4:3:	4:3:3:3:	4:3:3:	C[5a,6,6a]-3:N[5a,6,6a]-3:C[6,6]-4:C[6a]-3:	B[6,6,6a]-4:C[6,6]-3:C[6a]-3:C[6a]-3:	B[6,6,6a]-4:C[5a,6,6a]-3:C[5a]-3:	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(C[6,6]C[6,6]C[6a]2)(C[6a]C[6a]2)	C[6,6](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6a])(C[6,6]B[6,6,6a]C)(C[6a]C[6a]2)2	N[5a,6,6a](B[6,6,6a]C[5a,6,6a]C[6,6]C[6a])(C[5a,6,6a]B[6,6,6a]N[5a])(C[5a]C[5a]H)	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(C[6,6]C[6,6]C[6a]2)(C[6a]C[6a]2){10|C<3>,1|B<4>,1|C<4>,1|N<3>,3|H<1>}	C[6,6](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6a])(C[6,6]B[6,6,6a]C)(C[6a]C[6a]2)2{2|N<3>,4|H<1>,9|C<3>}	N[5a,6,6a](B[6,6,6a]C[5a,6,6a]C[6,6]C[6a])(C[5a,6,6a]B[6,6,6a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,2|N<3>,6|C<3>}	101.3400	0.546	2	101.3400	0.298	2	101.3400	0.298	2	101.3400	0.298	2	101.7832	1.817	4	103.1024	2.844	8
811	466	813	6:SP3_SP2_SP3	B[6,6,6a]	C[6,6]	N[5a,6,6a]	3:3:4:3:	4:4:1:1:	4:3:3:	C[5a,6,6a]-3:N[5a,6,6a]-3:C[6,6]-4:C[6a]-3:	B[6,6,6a]-4:C[6,6]-4:H-1:H-1:	B[6,6,6a]-4:C[5a,6,6a]-3:C[5a]-3:	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(C[6,6]C[6,6]HH)(C[6a]C[6a]2)	C[6,6](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6a])(C[6,6]B[6,6,6a]C[6a]H)(H)2	N[5a,6,6a](B[6,6,6a]C[5a,6,6a]C[6,6]C[6a])(C[5a,6,6a]B[6,6,6a]N[5a])(C[5a]C[5a]H)	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(C[6,6]C[6,6]HH)(C[6a]C[6a]2){1|B<4>,1|C<4>,1|N<3>,4|H<1>,6|C<3>}	C[6,6](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6a])(C[6,6]B[6,6,6a]C[6a]H)(H)2{2|N<3>,7|C<3>}	N[5a,6,6a](B[6,6,6a]C[5a,6,6a]C[6,6]C[6a])(C[5a,6,6a]B[6,6,6a]N[5a])(C[5a]C[5a]H){2|C<4>,2|N<3>,3|C<3>,3|H<1>}	103.7040	0.000	1	103.7040	0.000	1	103.7040	0.000	1	103.7040	0.000	1	101.7832	1.817	4	103.1024	2.844	8
811	466	813	6:SP3_SP2_SP3	B[6,6,6a]	C[6,6]	N[5a,6,6a]	3:3:4:3:	4:4:3:1:	4:3:3:	C[5a,6,6a]-3:N[5a,6,6a]-3:C[6,6]-4:C[6a]-3:	B[6,6,6a]-4:C[6,6]-4:C[6a]-3:H-1:	B[6,6,6a]-4:C[5a,6,6a]-3:C[5a]-3:	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(C[6,6]C[6,6]C[6a]H)(C[6a]C[6a]2)	C[6,6](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6a])(C[6,6]B[6,6,6a]HH)(C[6a]C[6a]2)(H)	N[5a,6,6a](B[6,6,6a]C[5a,6,6a]C[6,6]C[6a])(C[5a,6,6a]B[6,6,6a]N[5a])(C[5a]C[5a]H)	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(C[6,6]C[6,6]C[6a]H)(C[6a]C[6a]2){1|B<4>,1|C<4>,1|N<3>,5|H<1>,7|C<3>}	C[6,6](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6a])(C[6,6]B[6,6,6a]HH)(C[6a]C[6a]2)(H){2|H<1>,2|N<3>,7|C<3>}	N[5a,6,6a](B[6,6,6a]C[5a,6,6a]C[6,6]C[6a])(C[5a,6,6a]B[6,6,6a]N[5a])(C[5a]C[5a]H){2|C<4>,2|H<1>,2|N<3>,4|C<3>}	100.7490	0.000	1	100.7490	0.000	1	100.7490	0.000	1	100.7490	0.000	1	101.7832	1.817	4	103.1024	2.844	8
811	474	643	0:SP3_SP2_SP3	B[6,6,6a]	C[5,3x6]	C[6a]	4:3:3:3:	4:4:4:1:	4:3:3:	C[5,3x6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[6a]-3:	C[5,3x6]-4:B[6,6,6a]-4:C[5,5,6]-4:H-1:	B[6,6,6a]-4:C[6a]-3:C[6a]-3:	B[6,6,6a](C[5,3x6]C[5,3x6]C[5,5,6]H)(C[5,6,6a]N[5,6,6a]O[5])2(C[6a]C[6a]2)	C[5,3x6](C[5,3x6]B[6,6,6a]C[5,5,6]H)(B[6,6,6a]C[5,6,6a]2C[6a])(C[5,5,6]C[5,5]C[5,6]H)(H)	C[6a](B[6,6,6a]C[5,6,6a]2C[5,3x6])(C[6a]C[6a]H)2	B[6,6,6a](C[5,3x6]C[5,3x6]C[5,5,6]H)(C[5,6,6a]N[5,6,6a]O[5])2(C[6a]C[6a]2){1|B<4>,2|C<3>,4|H<1>,7|C<4>}	C[5,3x6](C[5,3x6]B[6,6,6a]C[5,5,6]H)(B[6,6,6a]C[5,6,6a]2C[6a])(C[5,5,6]C[5,5]C[5,6]H)(H){1|C<4>,2|N<3>,2|O<2>,3|C<3>,5|H<1>}	C[6a](B[6,6,6a]C[5,6,6a]2C[5,3x6])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|N<3>,2|O<2>,3|H<1>}	117.3240	0.000	1	117.3240	0.000	1	117.3240	0.000	1	116.7400	0.682	2	116.7400	0.682	2	116.7400	0.682	2
811	474	643	0:SP3_SP2_SP3	B[6,6,6a]	C[5,3x6]	C[6a]	4:3:3:3:	4:4:4:1:	4:3:3:	C[5,3x6]-4:N[5,6,6a]-3:N[5,6,6a]-3:C[6a]-3:	C[5,3x6]-4:B[6,6,6a]-4:C[5,5,6]-4:H-1:	B[6,6,6a]-4:C[6a]-3:C[6a]-3:	B[6,6,6a](C[5,3x6]C[5,3x6]C[5,5,6]H)(N[5,6,6a]C[5,6,6a]C[5])2(C[6a]C[6a]2)	C[5,3x6](C[5,3x6]B[6,6,6a]C[5,5,6]H)(B[6,6,6a]N[5,6,6a]2C[6a])(C[5,5,6]C[5,5]C[5,6]H)(H)	C[6a](B[6,6,6a]N[5,6,6a]2C[5,3x6])(C[6a]C[6a]H)2	B[6,6,6a](C[5,3x6]C[5,3x6]C[5,5,6]H)(N[5,6,6a]C[5,6,6a]C[5])2(C[6a]C[6a]2){1|B<4>,2|C<3>,2|O<2>,4|H<1>,9|C<4>}	C[5,3x6](C[5,3x6]B[6,6,6a]C[5,5,6]H)(B[6,6,6a]N[5,6,6a]2C[6a])(C[5,5,6]C[5,5]C[5,6]H)(H){3|C<4>,5|C<3>,5|H<1>}	C[6a](B[6,6,6a]N[5,6,6a]2C[5,3x6])(C[6a]C[6a]H)2{3|C<3>,3|H<1>,4|C<4>}	116.1560	0.000	1	116.1560	0.000	1	116.1560	0.000	1	116.7400	0.682	2	116.7400	0.682	2	116.7400	0.682	2
811	474	727	6:SP3_SP2_SP3	B[6,6,6a]	C[5,3x6]	C[5,6,6a]	4:3:3:3:	4:4:4:1:	4:3:2:	C[5,3x6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[6a]-3:	C[5,3x6]-4:B[6,6,6a]-4:C[5,5,6]-4:H-1:	B[6,6,6a]-4:N[5,6,6a]-3:O[5]-2:	B[6,6,6a](C[5,3x6]C[5,3x6]C[5,5,6]H)(C[5,6,6a]N[5,6,6a]O[5])2(C[6a]C[6a]2)	C[5,3x6](C[5,3x6]B[6,6,6a]C[5,5,6]H)(B[6,6,6a]C[5,6,6a]2C[6a])(C[5,5,6]C[5,5]C[5,6]H)(H)	C[5,6,6a](B[6,6,6a]C[5,6,6a]C[5,3x6]C[6a])(N[5,6,6a]B[6,6,6a]C[5])(O[5]C[5])	B[6,6,6a](C[5,3x6]C[5,3x6]C[5,5,6]H)(C[5,6,6a]N[5,6,6a]O[5])2(C[6a]C[6a]2){1|B<4>,2|C<3>,4|H<1>,7|C<4>}	C[5,3x6](C[5,3x6]B[6,6,6a]C[5,5,6]H)(B[6,6,6a]C[5,6,6a]2C[6a])(C[5,5,6]C[5,5]C[5,6]H)(H){1|C<4>,2|N<3>,2|O<2>,3|C<3>,5|H<1>}	C[5,6,6a](B[6,6,6a]C[5,6,6a]C[5,3x6]C[6a])(N[5,6,6a]B[6,6,6a]C[5])(O[5]C[5]){1|N<3>,1|O<2>,3|C<3>,3|H<1>,4|C<4>}	101.1967	4.670	2	101.1967	21.810	2	101.1967	21.810	2	101.1967	21.810	2	101.1967	21.810	2	101.1967	21.810	2
811	474	813	6:SP3_SP2_SP3	B[6,6,6a]	C[5,3x6]	N[5,6,6a]	4:3:3:3:	4:4:4:1:	4:3:4:	C[5,3x6]-4:N[5,6,6a]-3:N[5,6,6a]-3:C[6a]-3:	C[5,3x6]-4:B[6,6,6a]-4:C[5,5,6]-4:H-1:	B[6,6,6a]-4:C[5,6,6a]-3:C[5]-4:	B[6,6,6a](C[5,3x6]C[5,3x6]C[5,5,6]H)(N[5,6,6a]C[5,6,6a]C[5])2(C[6a]C[6a]2)	C[5,3x6](C[5,3x6]B[6,6,6a]C[5,5,6]H)(B[6,6,6a]N[5,6,6a]2C[6a])(C[5,5,6]C[5,5]C[5,6]H)(H)	N[5,6,6a](B[6,6,6a]N[5,6,6a]C[5,3x6]C[6a])(C[5,6,6a]B[6,6,6a]O[5])(C[5]C[5]CC)	B[6,6,6a](C[5,3x6]C[5,3x6]C[5,5,6]H)(N[5,6,6a]C[5,6,6a]C[5])2(C[6a]C[6a]2){1|B<4>,2|C<3>,2|O<2>,4|H<1>,9|C<4>}	C[5,3x6](C[5,3x6]B[6,6,6a]C[5,5,6]H)(B[6,6,6a]N[5,6,6a]2C[6a])(C[5,5,6]C[5,5]C[5,6]H)(H){3|C<4>,5|C<3>,5|H<1>}	N[5,6,6a](B[6,6,6a]N[5,6,6a]C[5,3x6]C[6a])(C[5,6,6a]B[6,6,6a]O[5])(C[5]C[5]CC){3|C<4>,3|H<1>,4|C<3>}	104.3855	2.358	2	104.3855	5.561	2	104.3855	5.561	2	104.3855	5.561	2	104.3855	5.561	2	104.3855	5.561	2
811	490	490	0:SP3_SP3_SP3	B[6a]	C	C	3:3:4:4:	4:4:1:1:	4:4:1:1:	C[6a,6a]-3:N[6,6a]-3:C-4:C-4:	B[6a]-4:C-4:H-1:H-1:	B[6a]-4:C-4:H-1:H-1:	B[6a](C[6a,6a]C[3x6a]C[6a])(N[6,6a]C[6,6a]C[6])(CCHH)2	C(B[6a]C[6a,6a]N[6,6a]C)(CH3)(H)2	C(B[6a]C[6a,6a]N[6,6a]C)(CH3)(H)2	B[6a](C[6a,6a]C[3x6a]C[6a])(N[6,6a]C[6,6a]C[6])(CCHH)2{1|C<4>,1|H<1>,5|C<3>}	C(B[6a]C[6a,6a]N[6,6a]C)(CH3)(H)2	C(B[6a]C[6a,6a]N[6,6a]C)(CH3)(H)2	113.7450	0.000	1	113.8727	0.228	4	113.8727	0.228	4	113.7474	0.741	8	113.7474	0.741	8	113.7474	0.741	8
811	490	490	0:SP3_SP3_SP3	B[6a]	C	C	3:3:4:4:	4:4:1:1:	4:4:1:1:	C[6a,6a]-3:N[6,6a]-3:C-4:C-4:	B[6a]-4:C-4:H-1:H-1:	B[6a]-4:C-4:H-1:H-1:	B[6a](C[6a,6a]C[3x6a]C[6a])(N[6,6a]C[6,6a]C[6])(CCHH)2	C(B[6a]C[6a,6a]N[6,6a]C)(CH3)(H)2	C(B[6a]C[6a,6a]N[6,6a]C)(CH3)(H)2	B[6a](C[6a,6a]C[3x6a]C[6a])(N[6,6a]C[6,6a]C[6])(CCHH)2{2|H<1>,5|C<3>}	C(B[6a]C[6a,6a]N[6,6a]C)(CH3)(H)2	C(B[6a]C[6a,6a]N[6,6a]C)(CH3)(H)2	113.9153	0.575	3	113.8727	0.228	4	113.8727	0.228	4	113.7474	0.741	8	113.7474	0.741	8	113.7474	0.741	8
811	490	490	0:SP3_SP3_SP3	B[6a]	C	C	3:3:4:4:	4:4:1:1:	4:4:1:1:	N[6a,6a]-3:C[6a,6a]-3:C-4:C-4:	B[6a]-4:C-4:H-1:H-1:	B[6a]-4:C-4:H-1:H-1:	B[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(CCHH)2	C(B[6a]C[6a,6a]N[6a,6a]C)(CH3)(H)2	C(B[6a]C[6a,6a]N[6a,6a]C)(CH3)(H)2	B[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(CCHH)2{1|C<4>,1|H<1>,5|C<3>}	C(B[6a]C[6a,6a]N[6a,6a]C)(CH3)(H)2	C(B[6a]C[6a,6a]N[6a,6a]C)(CH3)(H)2	115.1110	0.000	1	113.6220	1.459	4	113.6220	1.459	4	113.7474	0.741	8	113.7474	0.741	8	113.7474	0.741	8
811	490	490	0:SP3_SP3_SP3	B[6a]	C	C	3:3:4:4:	4:4:1:1:	4:4:1:1:	N[6a,6a]-3:C[6a,6a]-3:C-4:C-4:	B[6a]-4:C-4:H-1:H-1:	B[6a]-4:C-4:H-1:H-1:	B[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(CCHH)2	C(B[6a]C[6a,6a]N[6a,6a]C)(CH3)(H)2	C(B[6a]C[6a,6a]N[6a,6a]C)(CH3)(H)2	B[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(CCHH)2{2|H<1>,5|C<3>}	C(B[6a]C[6a,6a]N[6a,6a]C)(CH3)(H)2	C(B[6a]C[6a,6a]N[6a,6a]C)(CH3)(H)2	113.1257	0.843	3	113.6220	1.459	4	113.6220	1.459	4	113.7474	0.741	8	113.7474	0.741	8	113.7474	0.741	8
811	490	643	0:SP3_SP2_SP3	B[6a]	C	C[6a,6a]	3:3:4:4:	4:4:1:1:	3:4:3:	C[6a,6a]-3:N[6,6a]-3:C-4:C-4:	B[6a]-4:C-4:H-1:H-1:	C[3x6a]-3:B[6a]-4:C[6a]-3:	B[6a](C[6a,6a]C[3x6a]C[6a])(N[6,6a]C[6,6a]C[6])(CCHH)2	C(B[6a]C[6a,6a]N[6,6a]C)(CH3)(H)2	C[6a,6a](C[3x6a]C[6a,6a]2)(B[6a]N[6,6a]CC)(C[6a]C[6a]H)	B[6a](C[6a,6a]C[3x6a]C[6a])(N[6,6a]C[6,6a]C[6])(CCHH)2{1|C<4>,1|H<1>,5|C<3>}	C(B[6a]C[6a,6a]N[6,6a]C)(CH3)(H)2	C[6a,6a](C[3x6a]C[6a,6a]2)(B[6a]N[6,6a]CC)(C[6a]C[6a]H){1|H<1>,5|C<3>}	108.9340	0.921	2	110.1737	3.324	8	110.1737	3.324	8	110.1771	3.503	16	110.1771	3.503	16	110.6777	5.222	18
811	490	643	0:SP3_SP2_SP3	B[6a]	C	C[6a,6a]	3:3:4:4:	4:4:1:1:	3:4:3:	C[6a,6a]-3:N[6,6a]-3:C-4:C-4:	B[6a]-4:C-4:H-1:H-1:	C[3x6a]-3:B[6a]-4:C[6a]-3:	B[6a](C[6a,6a]C[3x6a]C[6a])(N[6,6a]C[6,6a]C[6])(CCHH)2	C(B[6a]C[6a,6a]N[6,6a]C)(CH3)(H)2	C[6a,6a](C[3x6a]C[6a,6a]2)(B[6a]N[6,6a]CC)(C[6a]C[6a]H)	B[6a](C[6a,6a]C[3x6a]C[6a])(N[6,6a]C[6,6a]C[6])(CCHH)2{2|H<1>,5|C<3>}	C(B[6a]C[6a,6a]N[6,6a]C)(CH3)(H)2	C[6a,6a](C[3x6a]C[6a,6a]2)(B[6a]N[6,6a]CC)(C[6a]C[6a]H){1|H<1>,5|C<3>}	110.5870	1.914	6	110.1737	3.324	8	110.1737	3.324	8	110.1771	3.503	16	110.1771	3.503	16	110.6777	5.222	18
811	490	643	0:SP3_SP2_SP3	B[6a]	C	C[6a,6a]	3:3:4:4:	4:4:1:1:	3:4:3:	N[6a,6a]-3:C[6a,6a]-3:C-4:C-4:	B[6a]-4:C-4:H-1:H-1:	C[3x6a]-3:B[6a]-4:C[6a]-3:	B[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(CCHH)2	C(B[6a]C[6a,6a]N[6a,6a]C)(CH3)(H)2	C[6a,6a](C[3x6a]C[6a,6a]2)(B[6a]N[6a,6a]CC)(C[6a]C[6a]H)	B[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(CCHH)2{1|C<4>,1|H<1>,5|C<3>}	C(B[6a]C[6a,6a]N[6a,6a]C)(CH3)(H)2	C[6a,6a](C[3x6a]C[6a,6a]2)(B[6a]N[6a,6a]CC)(C[6a]C[6a]H){1|H<1>,5|C<3>}	108.3510	0.338	2	110.1804	4.183	8	110.1804	4.183	8	110.1771	3.503	16	110.1771	3.503	16	110.6777	5.222	18
811	490	643	0:SP3_SP2_SP3	B[6a]	C	C[6a,6a]	3:3:4:4:	4:4:1:1:	3:4:3:	N[6a,6a]-3:C[6a,6a]-3:C-4:C-4:	B[6a]-4:C-4:H-1:H-1:	C[3x6a]-3:B[6a]-4:C[6a]-3:	B[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(CCHH)2	C(B[6a]C[6a,6a]N[6a,6a]C)(CH3)(H)2	C[6a,6a](C[3x6a]C[6a,6a]2)(B[6a]N[6a,6a]CC)(C[6a]C[6a]H)	B[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(CCHH)2{2|H<1>,5|C<3>}	C(B[6a]C[6a,6a]N[6a,6a]C)(CH3)(H)2	C[6a,6a](C[3x6a]C[6a,6a]2)(B[6a]N[6a,6a]CC)(C[6a]C[6a]H){1|H<1>,5|C<3>}	110.7902	2.012	6	110.1804	4.183	8	110.1804	4.183	8	110.1771	3.503	16	110.1771	3.503	16	110.6777	5.222	18
811	490	643	0:SP3_SP2_SP3	B[6a]	C	C[6a]	3:3:3:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C-4:	B[6a]-4:H-1:H-1:H-1:	B[6a]-4:C[6a]-3:C[6a]-3:	B[6a](C[5,6a]N[5,6a]O[5])2(C[6a]C[6a]2)(CH3)	C(B[6a]C[5,6a]2C[6a])(H)3	C[6a](B[6a]C[5,6a]2C)(C[6a]C[6a]H)2	B[6a](C[5,6a]N[5,6a]O[5])2(C[6a]C[6a]2)(CH3){1|B<4>,2|C<3>,2|H<1>,4|C<4>}	C(B[6a]C[5,6a]2C[6a])(H)3	C[6a](B[6a]C[5,6a]2C)(C[6a]C[6a]H)2{1|C<3>,2|H<1>,2|N<3>,2|O<2>}	114.6830	0.366	2	114.6830	0.134	2	114.6830	0.134	2	114.6830	0.134	2	114.6830	0.134	2	110.6777	5.222	18
811	490	727	0:SP3_SP2_SP3	B[6a]	C	C[5,6a]	3:3:3:4:	4:1:1:1:	4:3:2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C-4:	B[6a]-4:H-1:H-1:H-1:	B[6a]-4:N[5,6a]-3:O[5]-2:	B[6a](C[5,6a]N[5,6a]O[5])2(C[6a]C[6a]2)(CH3)	C(B[6a]C[5,6a]2C[6a])(H)3	C[5,6a](B[6a]C[5,6a]C[6a]C)(N[5,6a]B[6a]C[5])(O[5]C[5])	B[6a](C[5,6a]N[5,6a]O[5])2(C[6a]C[6a]2)(CH3){1|B<4>,2|C<3>,2|H<1>,4|C<4>}	C(B[6a]C[5,6a]2C[6a])(H)3	C[5,6a](B[6a]C[5,6a]C[6a]C)(N[5,6a]B[6a]C[5])(O[5]C[5]){1|N<3>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	109.0050	0.724	4	109.0050	0.524	4	109.0050	0.524	4	109.0050	0.524	4	109.0050	0.524	4	109.0050	0.524	4
811	542	643	0:SP3_SP2_SP2	B[6a]	N[5]	C[6a]	3:3:2:2:	4:3:3:	4:3:3:	N[5]-3:C[6a]-3:O[6a]-2:O[6a]-2:	B[6a]-4:C[5]-3:N[5]-3:	B[6a]-4:C[6a]-3:C[6a]-3:	B[6a](N[5]C[5]N[5])(C[6a]C[6a]2)(O[6a]B[6a])2	N[5](B[6a]C[6a]O[6a]2)(C[5]C[5]H)(N[5]C[5]H)	C[6a](B[6a]O[6a]2N[5])(C[6a]C[6a]H)2	B[6a](N[5]C[5]N[5])(C[6a]C[6a]2)(O[6a]B[6a])2{1|O<2>,4|H<1>,6|C<3>}	N[5](B[6a]C[6a]O[6a]2)(C[5]C[5]H)(N[5]C[5]H){2|B<3>,2|C<3>,2|H<1>}	C[6a](B[6a]O[6a]2N[5])(C[6a]C[6a]H)2{1|N<3>,2|B<3>,2|C<3>,2|H<1>}	110.6070	0.000	1	110.6070	0.000	1	110.6070	0.000	1	110.6070	0.000	1	110.6070	0.000	1	110.6070	0.000	1
811	542	933	0:SP3_SP2_SP2	B[6a]	N[5]	O[6a]	3:3:2:2:	4:3:3:	4:3:	N[5]-3:C[6a]-3:O[6a]-2:O[6a]-2:	B[6a]-4:C[5]-3:N[5]-3:	B[6a]-4:B[6a]-3:	B[6a](N[5]C[5]N[5])(C[6a]C[6a]2)(O[6a]B[6a])2	N[5](B[6a]C[6a]O[6a]2)(C[5]C[5]H)(N[5]C[5]H)	O[6a](B[6a]C[6a]O[6a]N[5])(B[6a]C[6a]O[6a])	B[6a](N[5]C[5]N[5])(C[6a]C[6a]2)(O[6a]B[6a])2{1|O<2>,4|H<1>,6|C<3>}	N[5](B[6a]C[6a]O[6a]2)(C[5]C[5]H)(N[5]C[5]H){2|B<3>,2|C<3>,2|H<1>}	O[6a](B[6a]C[6a]O[6a]N[5])(B[6a]C[6a]O[6a]){1|B<3>,1|N<3>,5|C<3>}	104.5465	1.353	2	104.5465	1.830	2	104.5465	1.830	2	104.5465	1.830	2	104.5465	1.830	2	104.5465	1.830	2
811	622	622	6:SP3_SP2_SP3	B[6,6,6a]	O[6]	O[6,6]	3:3:2:2:	4:3:	4:4:	C[6a,6a]-3:N[6,6a]-3:O[6,6]-2:O[6]-2:	B[6,6,6a]-4:C[6]-3:	B[6,6,6a]-4:B[6,6,6a]-4:	B[6,6,6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]N[6a]C[6])(O[6,6]B[6,6,6a])(O[6]C[6])	O[6](B[6,6,6a]C[6a,6a]N[6,6a]O[6,6])(C[6]N[6,6a]C)	O[6,6](B[6,6,6a]C[6a,6a]N[6,6a]O[6])2	B[6,6,6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]N[6a]C[6])(O[6,6]B[6,6,6a])(O[6]C[6]){1|H<1>,1|N<3>,1|O<2>,2|C<4>,4|C<3>}	O[6](B[6,6,6a]C[6a,6a]N[6,6a]O[6,6])(C[6]N[6,6a]C){1|B<4>,2|N<2>,3|C<3>}	O[6,6](B[6,6,6a]C[6a,6a]N[6,6a]O[6])2{2|N<2>,6|C<3>}	109.6010	0.700	4	109.6010	0.490	4	109.6010	0.490	4	109.6010	0.490	4	109.6010	0.490	4	111.9376	2.787	14
811	622	622	6:SP3_SP2_SP3	B[6,6a]	O[6]	O[6]	2:2:2:2:	4:3:	4:4:	O[6]-2:O[6a]-2:O[6a]-2:O[6]-2:	B[6,6a]-4:B[6]-3:	B[6,6a]-4:B[6,6a]-4:	B[6,6a](O[6]B[6,6a])(O[6a]B[6a])2(O[6]B[6])	O[6](B[6,6a]O[6a]2O[6])(B[6]O[6]O)	O[6](B[6,6a]O[6a]2O[6])2	B[6,6a](O[6]B[6,6a])(O[6a]B[6a])2(O[6]B[6]){7|O<2>}	O[6](B[6,6a]O[6a]2O[6])(B[6]O[6]O){1|B<4>,2|B<3>}	O[6](B[6,6a]O[6a]2O[6])2{5|B<3>}	112.6642	0.255	6	112.6642	0.065	6	112.6642	0.065	6	112.6642	0.065	6	112.8722	0.465	10	111.9376	2.787	14
811	622	622	6:SP3_SP2_SP3	B[6,6a]	O[6]	O[6]	2:2:2:2:	4:4:	4:3:	O[6]-2:O[6a]-2:O[6a]-2:O[6]-2:	B[6,6a]-4:B[6,6]-4:	B[6,6a]-4:B[6]-3:	B[6,6a](O[6]B[6,6])(O[6a]B[6a])2(O[6]B[6])	O[6](B[6,6a]O[6a]2O[6])(B[6,6]O[6]3)	O[6](B[6,6a]O[6a]2O[6])(B[6]O[6]O)	B[6,6a](O[6]B[6,6])(O[6a]B[6a])2(O[6]B[6]){7|O<2>}	O[6](B[6,6a]O[6a]2O[6])(B[6,6]O[6]3){1|B<4>,4|B<3>}	O[6](B[6,6a]O[6a]2O[6])(B[6]O[6]O){1|B<4>,2|B<3>}	112.3345	0.411	2	112.3345	0.169	2	112.3345	0.169	2	112.3345	0.169	2	112.8722	0.465	10	111.9376	2.787	14
811	622	622	6:SP3_SP2_SP3	B[6,6a]	O[6]	O[6]	3:4:2:2:	4:3:	4:4:	C[6a,6a]-3:N[6a]-4:O[6]-2:O[6]-2:	B[6,6a]-4:B[6]-3:	B[6,6a]-4:B[6,6a]-4:	B[6,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]CC)(O[6]B[6,6a])(O[6]B[6])	O[6](B[6,6a]C[6a,6a]N[6a]O[6])(B[6]C[6a]O[6])	O[6](B[6,6a]C[6a,6a]N[6a]O[6])2	B[6,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]CC)(O[6]B[6,6a])(O[6]B[6]){1|H<1>,1|N<4>,1|O<2>,5|C<3>}	O[6](B[6,6a]C[6a,6a]N[6a]O[6])(B[6]C[6a]O[6]){1|B<4>,1|N<2>,2|C<4>,4|C<3>}	O[6](B[6,6a]C[6a,6a]N[6a]O[6])2{1|B<3>,2|N<2>,4|C<3>,4|C<4>}	114.0340	0.390	2	114.0340	0.152	2	114.0340	0.152	2	114.0340	0.152	2	112.8722	0.465	10	111.9376	2.787	14
811	622	643	0:SP3_SP2_SP2	B[6,6,6a]	O[6]	C[6a,6a]	3:3:2:2:	4:3:	4:3:3:	C[6a,6a]-3:N[6,6a]-3:O[6,6]-2:O[6]-2:	B[6,6,6a]-4:C[6]-3:	B[6,6,6a]-4:C[6a,6a]-3:C[6a]-3:	B[6,6,6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]N[6a]C[6])(O[6,6]B[6,6,6a])(O[6]C[6])	O[6](B[6,6,6a]C[6a,6a]N[6,6a]O[6,6])(C[6]N[6,6a]C)	C[6a,6a](B[6,6,6a]N[6,6a]O[6,6]O[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	B[6,6,6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]N[6a]C[6])(O[6,6]B[6,6,6a])(O[6]C[6]){1|H<1>,1|N<3>,1|O<2>,2|C<4>,4|C<3>}	O[6](B[6,6,6a]C[6a,6a]N[6,6a]O[6,6])(C[6]N[6,6a]C){1|B<4>,2|N<2>,3|C<3>}	C[6a,6a](B[6,6,6a]N[6,6a]O[6,6]O[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|B<4>,1|N<2>,3|C<3>,3|H<1>}	106.8178	2.404	4	106.8178	5.781	4	106.8178	5.781	4	106.8178	5.781	4	106.8178	5.781	4	109.9613	11.081	9
811	622	643	0:SP3_SP2_SP2	B[6,6a]	O[6]	C[6a,6a]	3:4:2:2:	4:3:	4:3:3:	C[6a,6a]-3:N[6a]-4:O[6]-2:O[6]-2:	B[6,6a]-4:B[6]-3:	B[6,6a]-4:C[6a,6a]-3:C[6a]-3:	B[6,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]CC)(O[6]B[6,6a])(O[6]B[6])	O[6](B[6,6a]C[6a,6a]N[6a]O[6])(B[6]C[6a]O[6])	C[6a,6a](B[6,6a]N[6a]O[6]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	B[6,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]CC)(O[6]B[6,6a])(O[6]B[6]){1|H<1>,1|N<4>,1|O<2>,5|C<3>}	O[6](B[6,6a]C[6a,6a]N[6a]O[6])(B[6]C[6a]O[6]){1|B<4>,1|N<2>,2|C<4>,4|C<3>}	C[6a,6a](B[6,6a]N[6a]O[6]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|B<3>,1|B<4>,1|C<3>,1|N<2>,2|C<4>,3|H<1>}	112.6160	0.065	2	112.6160	0.004	2	112.6160	0.004	2	112.6160	0.004	2	112.6160	0.004	2	109.9613	11.081	9
811	622	643	0:SP3_SP2_SP2	B[6,6a]	O[6]	C[6a]	3:3:2:2:	4:3:	4:3:3:	N[6,6a]-3:C[6a]-3:O[6]-2:O[6a]-2:	B[6,6a]-4:C[6,6a]-3:	B[6,6a]-4:C[6a]-3:C[6a]-3:	B[6,6a](N[6,6a]C[6a,6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(O[6a]C[6a])	O[6](B[6,6a]N[6,6a]C[6a]O[6a])(C[6,6a]C[6,6a]C[6a])	C[6a](B[6,6a]N[6,6a]O[6a]O[6])(C[6a]C[6a]H)2	B[6,6a](N[6,6a]C[6a,6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(O[6a]C[6a]){1|O<1>,3|H<1>,6|C<3>}	O[6](B[6,6a]N[6,6a]C[6a]O[6a])(C[6,6a]C[6,6a]C[6a]){1|H<1>,7|C<3>}	C[6a](B[6,6a]N[6,6a]O[6a]O[6])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	112.3830	0.202	3	112.3830	0.041	3	112.3830	0.041	3	112.3830	0.041	3	112.3830	0.041	3	109.9613	11.081	9
811	622	643	0:SP3_SP2_SP3	B[6,6,6a]	O[6,6]	C[6a,6a]	3:3:2:2:	4:4:	4:3:3:	C[6a,6a]-3:N[6,6a]-3:O[6,6]-2:O[6]-2:	B[6,6,6a]-4:B[6,6,6a]-4:	B[6,6,6a]-4:C[6a,6a]-3:C[6a]-3:	B[6,6,6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]N[6a]C[6])(O[6,6]B[6,6,6a])(O[6]C[6])	O[6,6](B[6,6,6a]C[6a,6a]N[6,6a]O[6])2	C[6a,6a](B[6,6,6a]N[6,6a]O[6,6]O[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	B[6,6,6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]N[6a]C[6])(O[6,6]B[6,6,6a])(O[6]C[6]){1|H<1>,1|N<3>,1|O<2>,2|C<4>,4|C<3>}	O[6,6](B[6,6,6a]C[6a,6a]N[6,6a]O[6])2{2|N<2>,6|C<3>}	C[6a,6a](B[6,6,6a]N[6,6a]O[6,6]O[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|B<4>,1|N<2>,3|C<3>,3|H<1>}	118.1660	1.670	4	118.1660	2.788	4	118.1660	2.788	4	118.1660	2.788	4	118.1660	2.788	4	115.1315	15.042	8
811	622	643	0:SP3_SP2_SP3	B[6,6,6a]	O[6,6]	C[6a]	3:3:2:3:	4:2:	4:3:3:	C[5a,6,6a]-3:N[5a,6,6a]-3:O[6,6]-2:C[6a]-3:	B[6,6,6a]-4:O[6,6]-2:	B[6,6,6a]-4:C[6a]-3:C[6a]-3:	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(O[6,6]O[6,6])(C[6a]C[6a]2)	O[6,6](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6a])(O[6,6]B[6,6,6a])	C[6a](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]O[6,6])(C[6a]C[6a]H)2	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(O[6,6]O[6,6])(C[6a]C[6a]2){1|B<4>,1|C<4>,1|N<3>,3|H<1>,5|C<3>}	O[6,6](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6a])(O[6,6]B[6,6,6a]){2|N<3>,5|C<3>}	C[6a](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]O[6,6])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,2|N<3>,3|C<3>}	109.7050	0.355	2	109.7050	0.126	2	109.7050	0.126	2	109.7050	0.126	2	109.7050	0.126	2	115.1315	15.042	8
811	622	643	0:SP3_SP2_SP3	B[6,6a]	O[6]	C[6a,6a]	3:4:2:2:	4:4:	4:3:3:	C[6a,6a]-3:N[6a]-4:O[6]-2:O[6]-2:	B[6,6a]-4:B[6,6a]-4:	B[6,6a]-4:C[6a,6a]-3:C[6a]-3:	B[6,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]CC)(O[6]B[6,6a])(O[6]B[6])	O[6](B[6,6a]C[6a,6a]N[6a]O[6])2	C[6a,6a](B[6,6a]N[6a]O[6]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	B[6,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]CC)(O[6]B[6,6a])(O[6]B[6]){1|H<1>,1|N<4>,1|O<2>,5|C<3>}	O[6](B[6,6a]C[6a,6a]N[6a]O[6])2{1|B<3>,2|N<2>,4|C<3>,4|C<4>}	C[6a,6a](B[6,6a]N[6a]O[6]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|B<3>,1|B<4>,1|C<3>,1|N<2>,2|C<4>,3|H<1>}	114.4890	0.502	2	114.4890	0.252	2	114.4890	0.252	2	114.4890	0.252	2	114.4890	0.252	2	115.1315	15.042	8
811	622	727	6:SP3_SP2_SP3	B[6,6,6a]	O[6,6]	C[5a,6,6a]	3:3:2:3:	4:2:	4:3:3:	C[5a,6,6a]-3:N[5a,6,6a]-3:O[6,6]-2:C[6a]-3:	B[6,6,6a]-4:O[6,6]-2:	B[6,6,6a]-4:N[5a,6,6a]-3:N[5a]-3:	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(O[6,6]O[6,6])(C[6a]C[6a]2)	O[6,6](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6a])(O[6,6]B[6,6,6a])	C[5a,6,6a](B[6,6,6a]N[5a,6,6a]O[6,6]C[6a])(N[5a,6,6a]B[6,6,6a]C[5a])(N[5a]C[5a]C)	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(O[6,6]O[6,6])(C[6a]C[6a]2){1|B<4>,1|C<4>,1|N<3>,3|H<1>,5|C<3>}	O[6,6](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6a])(O[6,6]B[6,6,6a]){2|N<3>,5|C<3>}	C[5a,6,6a](B[6,6,6a]N[5a,6,6a]O[6,6]C[6a])(N[5a,6,6a]B[6,6,6a]C[5a])(N[5a]C[5a]C){1|O<2>,2|H<1>,5|C<3>}	104.0855	0.101	2	104.0855	0.010	2	104.0855	0.010	2	104.0855	0.010	2	104.0855	0.010	2	104.0855	0.010	2
811	622	781	0:SP3_SP2_SP3	B[6,6a]	O[6]	N[6a]	3:4:2:2:	4:3:	4:2:4:4:	C[6a,6a]-3:N[6a]-4:O[6]-2:O[6]-2:	B[6,6a]-4:B[6]-3:	B[6,6a]-4:N[6a]-2:C-4:C-4:	B[6,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]CC)(O[6]B[6,6a])(O[6]B[6])	O[6](B[6,6a]C[6a,6a]N[6a]O[6])(B[6]C[6a]O[6])	N[6a](B[6,6a]C[6a,6a]O[6]2)(N[6a]C[6a])(CH3)2	B[6,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]CC)(O[6]B[6,6a])(O[6]B[6]){1|H<1>,1|N<4>,1|O<2>,5|C<3>}	O[6](B[6,6a]C[6a,6a]N[6a]O[6])(B[6]C[6a]O[6]){1|B<4>,1|N<2>,2|C<4>,4|C<3>}	N[6a](B[6,6a]C[6a,6a]O[6]2)(N[6a]C[6a])(CH3)2{1|B<3>,1|B<4>,1|H<1>,2|C<3>}	105.0100	0.354	2	105.0100	0.125	2	105.0100	0.125	2	105.0100	0.125	2	105.0100	0.125	2	105.0100	0.125	2
811	622	781	0:SP3_SP3_SP3	B[6,6a]	O[6]	N[6a]	3:4:2:2:	4:4:	4:2:4:4:	C[6a,6a]-3:N[6a]-4:O[6]-2:O[6]-2:	B[6,6a]-4:B[6,6a]-4:	B[6,6a]-4:N[6a]-2:C-4:C-4:	B[6,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]CC)(O[6]B[6,6a])(O[6]B[6])	O[6](B[6,6a]C[6a,6a]N[6a]O[6])2	N[6a](B[6,6a]C[6a,6a]O[6]2)(N[6a]C[6a])(CH3)2	B[6,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]CC)(O[6]B[6,6a])(O[6]B[6]){1|H<1>,1|N<4>,1|O<2>,5|C<3>}	O[6](B[6,6a]C[6a,6a]N[6a]O[6])2{1|B<3>,2|N<2>,4|C<3>,4|C<4>}	N[6a](B[6,6a]C[6a,6a]O[6]2)(N[6a]C[6a])(CH3)2{1|B<3>,1|B<4>,1|H<1>,2|C<3>}	106.0030	0.272	2	106.0030	0.074	2	106.0030	0.074	2	106.0030	0.074	2	106.0030	0.074	2	106.0030	0.074	2
811	622	813	6:SP3_SP2_SP3	B[6,6,6a]	O[6,6]	N[5a,6,6a]	3:3:2:3:	4:2:	4:3:3:	C[5a,6,6a]-3:N[5a,6,6a]-3:O[6,6]-2:C[6a]-3:	B[6,6,6a]-4:O[6,6]-2:	B[6,6,6a]-4:C[5a,6,6a]-3:C[5a]-3:	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(O[6,6]O[6,6])(C[6a]C[6a]2)	O[6,6](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6a])(O[6,6]B[6,6,6a])	N[5a,6,6a](B[6,6,6a]C[5a,6,6a]O[6,6]C[6a])(C[5a,6,6a]B[6,6,6a]N[5a])(C[5a]C[5a]H)	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(O[6,6]O[6,6])(C[6a]C[6a]2){1|B<4>,1|C<4>,1|N<3>,3|H<1>,5|C<3>}	O[6,6](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6a])(O[6,6]B[6,6,6a]){2|N<3>,5|C<3>}	N[5a,6,6a](B[6,6,6a]C[5a,6,6a]O[6,6]C[6a])(C[5a,6,6a]B[6,6,6a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|O<2>,2|N<3>,3|C<3>}	104.3220	0.552	2	104.3220	0.304	2	104.3220	0.304	2	104.3220	0.304	2	104.3220	0.304	2	104.3220	0.304	2
811	622	856	6:SP3_SP2_SP2	B[6,6a]	O[6]	N[6,6]	3:2:2:2:	4:3:	4:3:3:	N[6,6]-3:O[6a]-2:O[6a]-2:O[6]-2:	B[6,6a]-4:C[6]-3:	B[6,6a]-4:C[6,6]-3:C[6]-3:	B[6,6a](N[6,6]C[6,6]C[6])(O[6a]C[6a,6a])(O[6a]C[6a])(O[6]C[6])	O[6](B[6,6a]N[6,6]O[6a]2)(C[6]C[6a]C[6])	N[6,6](B[6,6a]O[6a]2O[6])(C[6,6]C[6]2)(C[6]C[6]H)	B[6,6a](N[6,6]C[6,6]C[6])(O[6a]C[6a,6a])(O[6a]C[6a])(O[6]C[6]){1|H<1>,1|O<1>,6|C<3>}	O[6](B[6,6a]N[6,6]O[6a]2)(C[6]C[6a]C[6]){7|C<3>}	N[6,6](B[6,6a]O[6a]2O[6])(C[6,6]C[6]2)(C[6]C[6]H){2|H<1>,5|C<3>}	108.7687	1.411	3	108.7687	1.991	3	108.7687	1.991	3	108.7687	1.991	3	108.7687	1.991	3	108.7687	1.991	3
811	622	933	0:SP3_SP2_SP2	B[6,6a]	O[6]	O[6a]	2:2:2:2:	4:3:	4:3:	O[6]-2:O[6a]-2:O[6a]-2:O[6]-2:	B[6,6a]-4:B[6]-3:	B[6,6a]-4:B[6a]-3:	B[6,6a](O[6]B[6,6])(O[6a]B[6a])2(O[6]B[6])	O[6](B[6,6a]O[6a]2O[6])(B[6]O[6]O)	O[6a](B[6,6a]O[6a]O[6]2)(B[6a]O[6a]O)	B[6,6a](O[6]B[6,6])(O[6a]B[6a])2(O[6]B[6]){7|O<2>}	O[6](B[6,6a]O[6a]2O[6])(B[6]O[6]O){1|B<4>,2|B<3>}	O[6a](B[6,6a]O[6a]O[6]2)(B[6a]O[6a]O){1|B<4>,2|B<3>}	108.0315	0.460	4	108.0315	0.212	4	107.5110	0.783	16	107.5110	0.783	16	107.6882	2.578	25	107.6882	2.578	25
811	622	933	0:SP3_SP2_SP2	B[6,6a]	O[6]	O[6a]	2:2:2:2:	4:3:	4:3:	O[6]-2:O[6a]-2:O[6a]-2:O[6]-2:	B[6,6a]-4:B[6]-3:	B[6,6a]-4:B[6a]-3:	B[6,6a](O[6]B[6,6a])(O[6a]B[6a])2(O[6]B[6])	O[6](B[6,6a]O[6a]2O[6])(B[6]O[6]O)	O[6a](B[6,6a]O[6a]O[6]2)(B[6a]O[6a]O)	B[6,6a](O[6]B[6,6a])(O[6a]B[6a])2(O[6]B[6]){7|O<2>}	O[6](B[6,6a]O[6a]2O[6])(B[6]O[6]O){1|B<4>,2|B<3>}	O[6a](B[6,6a]O[6a]O[6]2)(B[6a]O[6a]O){1|B<4>,2|B<3>}	107.3375	0.937	12	107.3375	0.878	12	107.5110	0.783	16	107.5110	0.783	16	107.6882	2.578	25	107.6882	2.578	25
811	622	933	0:SP3_SP2_SP2	B[6,6a]	O[6]	O[6a]	3:2:2:2:	4:3:	4:3:	N[6,6]-3:O[6a]-2:O[6a]-2:O[6]-2:	B[6,6a]-4:C[6]-3:	B[6,6a]-4:C[6a,6a]-3:	B[6,6a](N[6,6]C[6,6]C[6])(O[6a]C[6a,6a])(O[6a]C[6a])(O[6]C[6])	O[6](B[6,6a]N[6,6]O[6a]2)(C[6]C[6a]C[6])	O[6a](B[6,6a]N[6,6]O[6a]O[6])(C[6a,6a]C[6a,6a]C[6a])	B[6,6a](N[6,6]C[6,6]C[6])(O[6a]C[6a,6a])(O[6a]C[6a])(O[6]C[6]){1|H<1>,1|O<1>,6|C<3>}	O[6](B[6,6a]N[6,6]O[6a]2)(C[6]C[6a]C[6]){7|C<3>}	O[6a](B[6,6a]N[6,6]O[6a]O[6])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,6|C<3>}	109.6463	0.873	3	109.6463	0.762	3	109.6463	0.762	3	109.5850	0.569	6	107.6882	2.578	25	107.6882	2.578	25
811	622	933	0:SP3_SP2_SP2	B[6,6a]	O[6]	O[6a]	3:2:2:2:	4:3:	4:3:	N[6,6]-3:O[6a]-2:O[6a]-2:O[6]-2:	B[6,6a]-4:C[6]-3:	B[6,6a]-4:C[6a]-3:	B[6,6a](N[6,6]C[6,6]C[6])(O[6a]C[6a,6a])(O[6a]C[6a])(O[6]C[6])	O[6](B[6,6a]N[6,6]O[6a]2)(C[6]C[6a]C[6])	O[6a](B[6,6a]N[6,6]O[6a]O[6])(C[6a]C[6a,6a]O)	B[6,6a](N[6,6]C[6,6]C[6])(O[6a]C[6a,6a])(O[6a]C[6a])(O[6]C[6]){1|H<1>,1|O<1>,6|C<3>}	O[6](B[6,6a]N[6,6]O[6a]2)(C[6]C[6a]C[6]){7|C<3>}	O[6a](B[6,6a]N[6,6]O[6a]O[6])(C[6a]C[6a,6a]O){5|C<3>}	109.5237	0.805	3	109.5237	0.648	3	109.5237	0.648	3	109.5850	0.569	6	107.6882	2.578	25	107.6882	2.578	25
811	622	933	0:SP3_SP2_SP2	B[6,6a]	O[6]	O[6a]	3:3:2:2:	4:3:	4:3:	N[6,6a]-3:C[6a]-3:O[6]-2:O[6a]-2:	B[6,6a]-4:C[6,6a]-3:	B[6,6a]-4:C[6a]-3:	B[6,6a](N[6,6a]C[6a,6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(O[6a]C[6a])	O[6](B[6,6a]N[6,6a]C[6a]O[6a])(C[6,6a]C[6,6a]C[6a])	O[6a](B[6,6a]N[6,6a]C[6a]O[6])(C[6a]C[6a,6a]O)	B[6,6a](N[6,6a]C[6a,6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(O[6a]C[6a]){1|O<1>,3|H<1>,6|C<3>}	O[6](B[6,6a]N[6,6a]C[6a]O[6a])(C[6,6a]C[6,6a]C[6a]){1|H<1>,7|C<3>}	O[6a](B[6,6a]N[6,6a]C[6a]O[6])(C[6a]C[6a,6a]O){6|C<3>}	104.8393	0.656	3	104.8393	0.430	3	104.8393	0.430	3	104.8393	0.430	3	107.6882	2.578	25	107.6882	2.578	25
811	622	933	0:SP3_SP2_SP3	B[6,6a]	O[6]	O[6a]	2:2:2:2:	4:4:	4:3:	O[6]-2:O[6a]-2:O[6a]-2:O[6]-2:	B[6,6a]-4:B[6,6]-4:	B[6,6a]-4:B[6a]-3:	B[6,6a](O[6]B[6,6])(O[6a]B[6a])2(O[6]B[6])	O[6](B[6,6a]O[6a]2O[6])(B[6,6]O[6]3)	O[6a](B[6,6a]O[6a]O[6]2)(B[6a]O[6a]O)	B[6,6a](O[6]B[6,6])(O[6a]B[6a])2(O[6]B[6]){7|O<2>}	O[6](B[6,6a]O[6a]2O[6])(B[6,6]O[6]3){1|B<4>,4|B<3>}	O[6a](B[6,6a]O[6a]O[6]2)(B[6a]O[6a]O){1|B<4>,2|B<3>}	110.0705	1.315	4	110.0705	1.730	4	110.0705	1.730	4	109.9074	1.020	16	109.9074	1.020	16	109.9074	1.020	16
811	622	933	0:SP3_SP2_SP3	B[6,6a]	O[6]	O[6a]	2:2:2:2:	4:4:	4:3:	O[6]-2:O[6a]-2:O[6a]-2:O[6]-2:	B[6,6a]-4:B[6,6a]-4:	B[6,6a]-4:B[6a]-3:	B[6,6a](O[6]B[6,6a])(O[6a]B[6a])2(O[6]B[6])	O[6](B[6,6a]O[6a]2O[6])2	O[6a](B[6,6a]O[6a]O[6]2)(B[6a]O[6a]O)	B[6,6a](O[6]B[6,6a])(O[6a]B[6a])2(O[6]B[6]){7|O<2>}	O[6](B[6,6a]O[6a]2O[6])2{5|B<3>}	O[6a](B[6,6a]O[6a]O[6]2)(B[6a]O[6a]O){1|B<4>,2|B<3>}	109.8530	0.952	12	109.8530	0.906	12	109.8530	0.906	12	109.9074	1.020	16	109.9074	1.020	16	109.9074	1.020	16
811	643	643	0:SP3_SP2_SP2	B[3x6a]	C[6a]	C[6a,6a]	3:3:3:3:	4:3:3:	4:3:2:	C[5a,6a,6a]-3:N[5,6a,6a]-3:C[6a,6a]-3:C[6a]-3:	B[3x6a]-4:C[6a]-3:C[6a]-3:	B[3x6a]-4:N[6a,6a]-3:C-2:	B[3x6a](C[5a,6a,6a]N[5a,6a,6a]N[5a])(N[5,6a,6a]C[5,6a,6a]C[5])(C[6a,6a]N[6a,6a]C)(C[6a]C[6a]2)	C[6a](B[3x6a]C[5a,6a,6a]N[5,6a,6a]C[6a,6a])(C[6a]C[6a]H)2	C[6a,6a](B[3x6a]C[5a,6a,6a]N[5,6a,6a]C[6a])(N[6a,6a]B[3x6a]C[6a])(CN)	B[3x6a](C[5a,6a,6a]N[5a,6a,6a]N[5a])(N[5,6a,6a]C[5,6a,6a]C[5])(C[6a,6a]N[6a,6a]C)(C[6a]C[6a]2){1|B<4>,1|C<4>,1|N<3>,3|H<1>,6|C<3>}	C[6a](B[3x6a]C[5a,6a,6a]N[5,6a,6a]C[6a,6a])(C[6a]C[6a]H)2{1|C<2>,2|H<1>,3|C<3>,3|N<3>}	C[6a,6a](B[3x6a]C[5a,6a,6a]N[5,6a,6a]C[6a])(N[6a,6a]B[3x6a]C[6a])(CN){2|N<3>,7|C<3>}	118.8680	0.000	1	118.8680	0.000	1	118.8680	0.000	1	118.8680	0.000	1	118.8680	0.000	1	114.6345	16.637	21
811	643	643	0:SP3_SP2_SP2	B[6a,6a]	C[6a,6a]	C[6a,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6a,6a]-3:C[6a,6a]-3:C[3x6a]-3:N[6]-3:	B[6a,6a]-4:C[6a,6a]-3:C[6a]-3:	B[6a,6a]-4:C[6a,6a]-3:C[6a]-3:	B[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(C[3x6a]C[6a,6a]2)(N[6]C[6]2)	C[6a,6a](B[6a,6a]C[6a,6a]C[3x6a]N[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[6a,6a](B[6a,6a]C[6a,6a]C[3x6a]N[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	B[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(C[3x6a]C[6a,6a]2)(N[6]C[6]2){2|O<2>,4|H<1>,8|C<3>}	C[6a,6a](B[6a,6a]C[6a,6a]C[3x6a]N[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6a,6a](B[6a,6a]C[6a,6a]C[3x6a]N[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	121.0235	1.790	2	121.0235	3.203	2	121.0235	3.203	2	121.0235	3.203	2	121.0235	3.203	2	114.6345	16.637	21
811	643	643	0:SP3_SP2_SP2	B[6a]	C[6a,6a]	C[6a]	3:3:3:3:	3:4:3:	4:3:3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:B[6a]-4:C[6a]-3:	B[6a]-4:C[6a]-3:C[6a]-3:	B[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(N[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(B[6a]C[6a]2N[6a])(C[6a]C[6a]H)	C[6a](B[6a]C[6a,6a]C[6a]N[6a])(C[6a]C[6a]F)2	B[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(N[6a]C[6a]2){1|N<4>,1|O<1>,2|F<1>,3|H<1>,8|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(B[6a]C[6a]2N[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,7|C<3>}	C[6a](B[6a]C[6a,6a]C[6a]N[6a])(C[6a]C[6a]F)2{2|F<1>,7|C<3>}	112.4780	0.000	1	112.4780	0.000	1	109.4615	18.199	2	110.5330	9.382	6	111.7859	11.653	10	114.6345	16.637	21
811	643	643	0:SP3_SP2_SP2	B[6a]	C[6a,6a]	C[6a]	3:3:3:3:	3:4:3:	4:3:3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:B[6a]-4:C[6a]-3:	B[6a]-4:C[6a]-3:C[6a]-3:	B[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(N[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(B[6a]C[6a]2N[6a])(C[6a]C[6a]H)	C[6a](B[6a]C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	B[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(N[6a]C[6a]2){1|N<4>,1|O<1>,2|F<1>,3|H<1>,8|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(B[6a]C[6a]2N[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,7|C<3>}	C[6a](B[6a]C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	106.4450	0.000	1	106.4450	0.000	1	109.4615	18.199	2	110.5330	9.382	6	111.7859	11.653	10	114.6345	16.637	21
811	643	643	0:SP3_SP2_SP2	B[6a]	C[6a,6a]	C[6a]	3:3:3:3:	3:4:3:	4:3:3:	C[6a,6a]-3:N[5,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:B[6a]-4:C[6a]-3:	B[6a]-4:C[6a]-3:C[6a]-3:	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a,6a]S[5])(C[6a]C[6a]2)2	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]N[5,6a]C[6a]2)(C[6a]C[5,6a]H)	C[6a](B[6a]C[6a,6a]N[5,6a]C[6a])(C[6a]C[6a]F)2	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a,6a]S[5])(C[6a]C[6a]2)2{1|H<1>,1|N<2>,4|F<1>,8|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]N[5,6a]C[6a]2)(C[6a]C[5,6a]H){1|H<1>,1|S<2>,8|C<3>}	C[6a](B[6a]C[6a,6a]N[5,6a]C[6a])(C[6a]C[6a]F)2{1|S<2>,2|F<1>,6|C<3>}	111.0687	2.902	4	111.0687	8.423	4	111.0687	8.423	4	110.5330	9.382	6	111.7859	11.653	10	114.6345	16.637	21
811	643	643	0:SP3_SP2_SP2	B[6a]	C[6a,6a]	C[6a]	3:4:3:3:	3:4:3:	4:3:3:	C[6a,6a]-3:N[6a]-4:C[6a]-3:C[6a]-3:	C[6a,6a]-3:B[6a]-4:C[6a]-3:	B[6a]-4:C[6a]-3:C[6a]-3:	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]HH)(C[6a]C[6a]2)2	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]2N[6a])(C[6a]C[6a]F)	C[6a](B[6a]C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]F)	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]HH)(C[6a]C[6a]2)2{10|C<3>,3|F<1>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]2N[6a])(C[6a]C[6a]F){2|F<1>,2|H<1>,7|C<3>}	C[6a](B[6a]C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]F){2|F<1>,2|H<1>,8|C<3>}	113.6653	3.387	4	113.6653	11.474	4	113.6653	11.474	4	113.6653	11.474	4	111.7859	11.653	10	114.6345	16.637	21
811	643	643	0:SP3_SP2_SP2	B[6a]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:N[6a]-3:	B[6a]-4:C[6a]-3:C[6a]-3:	B[6a]-4:C[6a]-3:C[6a]-3:	B[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(N[6a]C[6a]2)	C[6a](B[6a]C[6a,6a]C[6a]N[6a])(C[6a]C[6a]F)2	C[6a](B[6a]C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	B[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(N[6a]C[6a]2){1|N<4>,1|O<1>,2|F<1>,3|H<1>,8|C<3>}	C[6a](B[6a]C[6a,6a]C[6a]N[6a])(C[6a]C[6a]F)2{2|F<1>,7|C<3>}	C[6a](B[6a]C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	113.4420	0.000	1	113.4420	0.000	1	113.4420	0.000	1	115.4153	3.417	6	116.0687	3.929	8	114.6345	16.637	21
811	643	643	0:SP3_SP2_SP2	B[6a]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6a,6a]-3:N[5,6a]-3:C[6a]-3:C[6a]-3:	B[6a]-4:C[6a]-3:C[6a]-3:	B[6a]-4:C[6a]-3:C[6a]-3:	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a,6a]S[5])(C[6a]C[6a]2)2	C[6a](B[6a]C[6a,6a]N[5,6a]C[6a])(C[6a]C[6a]F)2	C[6a](B[6a]C[6a,6a]N[5,6a]C[6a])(C[6a]C[6a]F)2	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a,6a]S[5])(C[6a]C[6a]2)2{1|H<1>,1|N<2>,4|F<1>,8|C<3>}	C[6a](B[6a]C[6a,6a]N[5,6a]C[6a])(C[6a]C[6a]F)2{1|S<2>,2|F<1>,6|C<3>}	C[6a](B[6a]C[6a,6a]N[5,6a]C[6a])(C[6a]C[6a]F)2{1|S<2>,2|F<1>,6|C<3>}	114.6635	0.682	2	114.6635	0.466	2	114.6635	0.466	2	115.4153	3.417	6	116.0687	3.929	8	114.6345	16.637	21
811	643	643	0:SP3_SP2_SP2	B[6a]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	N[5,6a]-3:N[5,6a]-3:C[6a]-3:C[6a]-3:	B[6a]-4:C[6a]-3:C[6a]-3:	B[6a]-4:C[6a]-3:C[6a]-3:	B[6a](N[5,6a]C[5,6a]C[5])2(C[6a]C[6a]2)2	C[6a](B[6a]N[5,6a]2C[6a])(C[6a]C[6a]H)2	C[6a](B[6a]N[5,6a]2C[6a])(C[6a]C[6a]H)2	B[6a](N[5,6a]C[5,6a]C[5])2(C[6a]C[6a]2)2{1|B<4>,2|O<2>,4|C<3>,4|H<1>,6|C<4>}	C[6a](B[6a]N[5,6a]2C[6a])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,5|C<3>}	C[6a](B[6a]N[5,6a]2C[6a])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,5|C<3>}	117.6890	0.330	2	117.6890	0.109	2	117.6890	0.109	2	115.4153	3.417	6	116.0687	3.929	8	114.6345	16.637	21
811	643	643	0:SP3_SP2_SP2	B[6a]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	N[5a,6a]-3:N[5a,6a]-3:C[6a]-3:C[6a]-3:	B[6a]-4:C[6a]-3:C[6a]-3:	B[6a]-4:C[6a]-3:C[6a]-3:	B[6a](N[5a,6a]C[5a,6a]C[5a])2(C[6a]C[6a]2)2	C[6a](B[6a]N[5a,6a]2C[6a])(C[6a]C[6a]H)2	C[6a](B[6a]N[5a,6a]2C[6a])(C[6a]C[6a]H)2	B[6a](N[5a,6a]C[5a,6a]C[5a])2(C[6a]C[6a]2)2{1|Ge<3>,2|N<3>,6|C<3>,6|H<1>}	C[6a](B[6a]N[5a,6a]2C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[6a](B[6a]N[5a,6a]2C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	114.3450	0.000	1	114.3450	0.000	1	114.3450	0.000	1	115.4153	3.417	6	116.0687	3.929	8	114.6345	16.637	21
811	643	643	0:SP3_SP2_SP2	B[6a]	C[6a]	C[6a]	3:4:3:3:	4:3:3:	4:3:3:	C[6a,6a]-3:N[6a]-4:C[6a]-3:C[6a]-3:	B[6a]-4:C[6a]-3:C[6a]-3:	B[6a]-4:C[6a]-3:C[6a]-3:	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]HH)(C[6a]C[6a]2)2	C[6a](B[6a]C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]F)	C[6a](B[6a]C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]F)	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]HH)(C[6a]C[6a]2)2{10|C<3>,3|F<1>}	C[6a](B[6a]C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]F){2|F<1>,2|H<1>,8|C<3>}	C[6a](B[6a]C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]F){2|F<1>,2|H<1>,8|C<3>}	118.0290	0.412	2	118.0290	0.169	2	118.0290	0.169	2	118.0290	0.169	2	116.0687	3.929	8	114.6345	16.637	21
811	643	643	6:SP3_SP2_SP2	B[3x6a]	C[3x6a]	C[3x6a]	3:3:3:3:	4:3:3:	4:3:3:	C[3x6a]-3:C[3x6a]-3:C[3x6a]-3:N[6]-3:	B[3x6a]-4:C[6a,6a]-3:C[6a,6a]-3:	B[3x6a]-4:C[6a,6a]-3:C[6a,6a]-3:	B[3x6a](C[3x6a]C[6a,6a]2)3(N[6]C[6]2)	C[3x6a](B[3x6a]C[3x6a]2N[6])(C[6a,6a]C[6a]O[6a])2	C[3x6a](B[3x6a]C[3x6a]2N[6])(C[6a,6a]C[6a]O[6a])2	B[3x6a](C[3x6a]C[6a,6a]2)3(N[6]C[6]2){2|H<1>,3|O<2>,8|C<3>}	C[3x6a](B[3x6a]C[3x6a]2N[6])(C[6a,6a]C[6a]O[6a])2{2|H<1>,7|C<3>}	C[3x6a](B[3x6a]C[3x6a]2N[6])(C[6a,6a]C[6a]O[6a])2{2|H<1>,7|C<3>}	107.1803	0.381	6	107.1803	0.145	6	107.1803	0.145	6	107.1803	0.145	6	107.1803	0.145	6	108.1290	4.204	13
811	643	643	6:SP3_SP2_SP2	B[6,6a]	C[6a,6a]	C[6a,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[5a,6]-3:N[5a,6]-3:	B[6,6a]-4:C[6a,6a]-3:C[6a]-3:	B[6,6a]-4:C[6a,6a]-3:C[6a]-3:	B[6,6a](C[6a,6a]C[6a,6a]C[6a])2(N[5a,6]C[5a,6]C[5a])2	C[6a,6a](B[6,6a]C[6a,6a]N[5a,6]2)(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[6a,6a](B[6,6a]C[6a,6a]N[5a,6]2)(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	B[6,6a](C[6a,6a]C[6a,6a]C[6a])2(N[5a,6]C[5a,6]C[5a])2{1|O<2>,2|C<4>,2|H<1>,9|C<3>}	C[6a,6a](B[6,6a]C[6a,6a]N[5a,6]2)(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6a,6a](B[6,6a]C[6a,6a]N[5a,6]2)(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	108.7850	0.670	2	108.7850	0.449	2	110.6437	10.589	3	110.6437	10.589	3	110.6437	10.589	3	108.1290	4.204	13
811	643	643	6:SP3_SP2_SP2	B[6,6a]	C[6a,6a]	C[6a,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[5a,6]-3:N[5a,6]-3:	B[6,6a]-4:C[6a,6a]-3:C[6a]-3:	B[6,6a]-4:C[6a,6a]-3:C[6a]-3:	B[6,6a](C[6a,6a]C[6a,6a]C[6a])2(N[5a,6]C[5a,6]C[5a])2	C[6a,6a](B[6,6a]C[6a,6a]N[5a,6]2)(C[6a,6a]C[6a]S[6a])(C[6a]C[6a]H)	C[6a,6a](B[6,6a]C[6a,6a]N[5a,6]2)(C[6a,6a]C[6a]S[6a])(C[6a]C[6a]H)	B[6,6a](C[6a,6a]C[6a,6a]C[6a])2(N[5a,6]C[5a,6]C[5a])2{1|S<2>,2|C<4>,2|H<1>,9|C<3>}	C[6a,6a](B[6,6a]C[6a,6a]N[5a,6]2)(C[6a,6a]C[6a]S[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6a,6a](B[6,6a]C[6a,6a]N[5a,6]2)(C[6a,6a]C[6a]S[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	114.3610	0.000	1	114.3610	0.000	1	110.6437	10.589	3	110.6437	10.589	3	110.6437	10.589	3	108.1290	4.204	13
811	643	643	6:SP3_SP2_SP2	B[6a,6a]	C[6a,6a]	C[3x6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6a,6a]-3:C[6a,6a]-3:C[3x6a]-3:N[6]-3:	B[6a,6a]-4:C[6a,6a]-3:C[6a]-3:	B[6a,6a]-4:C[6a,6a]-3:C[6a,6a]-3:	B[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(C[3x6a]C[6a,6a]2)(N[6]C[6]2)	C[6a,6a](B[6a,6a]C[6a,6a]C[3x6a]N[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[3x6a](B[6a,6a]C[6a,6a]2N[6])(C[6a,6a]C[6a]O[6a])2	B[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(C[3x6a]C[6a,6a]2)(N[6]C[6]2){2|O<2>,4|H<1>,8|C<3>}	C[6a,6a](B[6a,6a]C[6a,6a]C[3x6a]N[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[3x6a](B[6a,6a]C[6a,6a]2N[6])(C[6a,6a]C[6a]O[6a])2{1|Ir<6>,1|H<1>,7|C<3>}	107.6660	1.052	4	107.6660	1.107	4	107.6660	1.107	4	107.6660	1.107	4	107.6660	1.107	4	108.1290	4.204	13
811	643	727	0:SP3_SP2_SP2	B[3x6a]	C[6a]	C[5,6a,6a]	3:3:3:3:	4:3:3:	4:3:3:	N[5a,6a,6a]-3:C[5,6a,6a]-3:N[6a,6a]-3:C[6a]-3:	B[3x6a]-4:C[6a]-3:C[6a]-3:	B[3x6a]-4:N[5,6a,6a]-3:N[5]-3:	B[3x6a](N[5a,6a,6a]C[5a,6a,6a]C[5a])(C[5,6a,6a]N[5,6a,6a]N[5])(N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](B[3x6a]N[5a,6a,6a]C[5,6a,6a]N[6a,6a])(C[6a]C[6a]H)2	C[5,6a,6a](B[3x6a]N[5a,6a,6a]N[6a,6a]C[6a])(N[5,6a,6a]B[3x6a]C[5])(N[5]C[5]C)	B[3x6a](N[5a,6a,6a]C[5a,6a,6a]C[5a])(C[5,6a,6a]N[5,6a,6a]N[5])(N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|B<4>,1|C<2>,1|C<4>,1|N<3>,3|H<1>,7|C<3>}	C[6a](B[3x6a]N[5a,6a,6a]C[5,6a,6a]N[6a,6a])(C[6a]C[6a]H)2{2|H<1>,2|N<3>,5|C<3>}	C[5,6a,6a](B[3x6a]N[5a,6a,6a]N[6a,6a]C[6a])(N[5,6a,6a]B[3x6a]C[5])(N[5]C[5]C){2|H<1>,7|C<3>}	113.7000	0.000	1	113.7000	0.000	1	113.7000	0.000	1	118.3570	43.375	2	118.3570	43.375	2	113.6405	12.766	40
811	643	727	0:SP3_SP2_SP2	B[3x6a]	C[6a]	C[5,6a,6a]	3:3:3:3:	4:3:3:	4:3:3:	N[5a,6a,6a]-3:N[5a,6a,6a]-3:C[5,6a,6a]-3:C[6a]-3:	B[3x6a]-4:C[6a]-3:C[6a]-3:	B[3x6a]-4:N[5,6a,6a]-3:N[5]-3:	B[3x6a](N[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(N[5a,6a,6a]C[5a,6a,6a]C[5a])(C[5,6a,6a]N[5,6a,6a]N[5])(C[6a]C[6a]2)	C[6a](B[3x6a]N[5a,6a,6a]2C[5,6a,6a])(C[6a]C[6a]H)2	C[5,6a,6a](B[3x6a]N[5a,6a,6a]2C[6a])(N[5,6a,6a]B[3x6a]C[5])(N[5]C[5]C)	B[3x6a](N[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(N[5a,6a,6a]C[5a,6a,6a]C[5a])(C[5,6a,6a]N[5,6a,6a]N[5])(C[6a]C[6a]2){1|B<4>,1|C<4>,1|N<3>,3|H<1>,8|C<3>}	C[6a](B[3x6a]N[5a,6a,6a]2C[5,6a,6a])(C[6a]C[6a]H)2{2|H<1>,2|N<3>,5|C<3>}	C[5,6a,6a](B[3x6a]N[5a,6a,6a]2C[6a])(N[5,6a,6a]B[3x6a]C[5])(N[5]C[5]C){2|H<1>,7|C<3>}	123.0140	0.000	1	123.0140	0.000	1	123.0140	0.000	1	118.3570	43.375	2	118.3570	43.375	2	113.6405	12.766	40
811	643	727	0:SP3_SP2_SP2	B[3x6a]	C[6a]	C[5a,6a,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:N[5,6a,6a]-3:C[6a]-3:	B[3x6a]-4:C[6a]-3:C[6a]-3:	B[3x6a]-4:N[5a,6a,6a]-3:C[5a]-3:	B[3x6a](C[5a,6a,6a]N[5a,6a,6a]C[5a])(C[5a,6a,6a]N[5a,6a,6a]N[5a])(N[5,6a,6a]C[5,6a,6a]C[5])(C[6a]C[6a]2)	C[6a](B[3x6a]C[5a,6a,6a]2N[5,6a,6a])(C[6a]C[6a]H)2	C[5a,6a,6a](B[3x6a]C[5a,6a,6a]N[5,6a,6a]C[6a])(N[5a,6a,6a]C[5a,6a]B[3x6a])(C[5a]C[5a,6a]N)	B[3x6a](C[5a,6a,6a]N[5a,6a,6a]C[5a])(C[5a,6a,6a]N[5a,6a,6a]N[5a])(N[5,6a,6a]C[5,6a,6a]C[5])(C[6a]C[6a]2){1|B<4>,1|C<4>,2|N<3>,3|H<1>,7|C<3>}	C[6a](B[3x6a]C[5a,6a,6a]2N[5,6a,6a])(C[6a]C[6a]H)2{2|H<1>,3|N<3>,4|C<3>}	C[5a,6a,6a](B[3x6a]C[5a,6a,6a]N[5,6a,6a]C[6a])(N[5a,6a,6a]C[5a,6a]B[3x6a])(C[5a]C[5a,6a]N){2|N<3>,7|C<3>}	117.1700	0.000	1	117.1700	0.000	1	117.1700	0.000	1	114.9143	3.832	3	114.9143	3.832	3	113.6405	12.766	40
811	643	727	0:SP3_SP2_SP2	B[3x6a]	C[6a]	C[5a,6a,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:N[5,6a,6a]-3:C[6a]-3:	B[3x6a]-4:C[6a]-3:C[6a]-3:	B[3x6a]-4:N[5a,6a,6a]-3:N[5a]-3:	B[3x6a](C[5a,6a,6a]N[5a,6a,6a]C[5a])(C[5a,6a,6a]N[5a,6a,6a]N[5a])(N[5,6a,6a]C[5,6a,6a]C[5])(C[6a]C[6a]2)	C[6a](B[3x6a]C[5a,6a,6a]2N[5,6a,6a])(C[6a]C[6a]H)2	C[5a,6a,6a](B[3x6a]C[5a,6a,6a]N[5,6a,6a]C[6a])(N[5a,6a,6a]B[3x6a]C[5a])(N[5a]C[5a]C)	B[3x6a](C[5a,6a,6a]N[5a,6a,6a]C[5a])(C[5a,6a,6a]N[5a,6a,6a]N[5a])(N[5,6a,6a]C[5,6a,6a]C[5])(C[6a]C[6a]2){1|B<4>,1|C<4>,2|N<3>,3|H<1>,7|C<3>}	C[6a](B[3x6a]C[5a,6a,6a]2N[5,6a,6a])(C[6a]C[6a]H)2{2|H<1>,3|N<3>,4|C<3>}	C[5a,6a,6a](B[3x6a]C[5a,6a,6a]N[5,6a,6a]C[6a])(N[5a,6a,6a]B[3x6a]C[5a])(N[5a]C[5a]C){1|N<3>,2|H<1>,6|C<3>}	113.6620	0.000	1	113.6620	0.000	1	113.6620	0.000	1	114.9143	3.832	3	114.9143	3.832	3	113.6405	12.766	40
811	643	727	0:SP3_SP2_SP2	B[3x6a]	C[6a]	C[5a,6a,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5a,6a,6a]-3:N[5,6a,6a]-3:C[6a,6a]-3:C[6a]-3:	B[3x6a]-4:C[6a]-3:C[6a]-3:	B[3x6a]-4:N[5a,6a,6a]-3:N[5a]-3:	B[3x6a](C[5a,6a,6a]N[5a,6a,6a]N[5a])(N[5,6a,6a]C[5,6a,6a]C[5])(C[6a,6a]N[6a,6a]C)(C[6a]C[6a]2)	C[6a](B[3x6a]C[5a,6a,6a]N[5,6a,6a]C[6a,6a])(C[6a]C[6a]H)2	C[5a,6a,6a](B[3x6a]N[5,6a,6a]C[6a,6a]C[6a])(N[5a,6a,6a]B[3x6a]C[5a])(N[5a]C[5a]C)	B[3x6a](C[5a,6a,6a]N[5a,6a,6a]N[5a])(N[5,6a,6a]C[5,6a,6a]C[5])(C[6a,6a]N[6a,6a]C)(C[6a]C[6a]2){1|B<4>,1|C<4>,1|N<3>,3|H<1>,6|C<3>}	C[6a](B[3x6a]C[5a,6a,6a]N[5,6a,6a]C[6a,6a])(C[6a]C[6a]H)2{1|C<2>,2|H<1>,3|C<3>,3|N<3>}	C[5a,6a,6a](B[3x6a]N[5,6a,6a]C[6a,6a]C[6a])(N[5a,6a,6a]B[3x6a]C[5a])(N[5a]C[5a]C){1|C<2>,1|N<3>,2|H<1>,5|C<3>}	113.9110	0.000	1	113.9110	0.000	1	113.9110	0.000	1	114.9143	3.832	3	114.9143	3.832	3	113.6405	12.766	40
811	643	727	0:SP3_SP2_SP2	B[6,6,6a]	C[6a]	C[5,6,6a]	3:3:4:3:	4:3:3:	4:3:2:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6]-4:C[6a]-3:	B[6,6,6a]-4:C[6a]-3:C[6a]-3:	B[6,6,6a]-4:N[5,6,6a]-3:O[5]-2:	B[6,6,6a](C[5,6,6a]N[5,6,6a]O[5])2(C[6,6]C[6,6]C[6a]H)(C[6a]C[6a]2)	C[6a](B[6,6,6a]C[5,6,6a]2C[6,6])(C[6a]C[6a]H)2	C[5,6,6a](B[6,6,6a]C[5,6,6a]C[6,6]C[6a])(N[5,6,6a]B[6,6,6a]C[5])(O[5]C[5])	B[6,6,6a](C[5,6,6a]N[5,6,6a]O[5])2(C[6,6]C[6,6]C[6a]H)(C[6a]C[6a]2){1|B<4>,4|C<3>,4|C<4>,4|H<1>}	C[6a](B[6,6,6a]C[5,6,6a]2C[6,6])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|N<3>,2|O<2>,3|H<1>}	C[5,6,6a](B[6,6,6a]C[5,6,6a]C[6,6]C[6a])(N[5,6,6a]B[6,6,6a]C[5])(O[5]C[5]){1|N<3>,1|O<2>,3|C<4>,3|H<1>,4|C<3>}	115.8015	1.912	4	115.8015	3.658	4	115.8015	3.658	4	115.8015	3.658	4	115.9690	3.034	6	113.6405	12.766	40
811	643	727	0:SP3_SP2_SP2	B[6,6,6a]	C[6a]	C[5,6,6a]	4:3:3:3:	4:3:3:	4:3:2:	C[5,3x6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[6a]-3:	B[6,6,6a]-4:C[6a]-3:C[6a]-3:	B[6,6,6a]-4:N[5,6,6a]-3:O[5]-2:	B[6,6,6a](C[5,3x6]C[5,3x6]C[5,5,6]H)(C[5,6,6a]N[5,6,6a]O[5])2(C[6a]C[6a]2)	C[6a](B[6,6,6a]C[5,6,6a]2C[5,3x6])(C[6a]C[6a]H)2	C[5,6,6a](B[6,6,6a]C[5,6,6a]C[5,3x6]C[6a])(N[5,6,6a]B[6,6,6a]C[5])(O[5]C[5])	B[6,6,6a](C[5,3x6]C[5,3x6]C[5,5,6]H)(C[5,6,6a]N[5,6,6a]O[5])2(C[6a]C[6a]2){1|B<4>,2|C<3>,4|H<1>,7|C<4>}	C[6a](B[6,6,6a]C[5,6,6a]2C[5,3x6])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|N<3>,2|O<2>,3|H<1>}	C[5,6,6a](B[6,6,6a]C[5,6,6a]C[5,3x6]C[6a])(N[5,6,6a]B[6,6,6a]C[5])(O[5]C[5]){1|N<3>,1|O<2>,3|C<3>,3|H<1>,4|C<4>}	116.3040	1.964	2	116.3040	3.859	2	116.3040	3.859	2	116.3040	3.859	2	115.9690	3.034	6	113.6405	12.766	40
811	643	727	0:SP3_SP2_SP2	B[6,6,6a]	C[6a]	C[5a,6,6a]	3:3:2:3:	4:3:3:	4:3:3:	C[5a,6,6a]-3:N[5a,6,6a]-3:N[6,6]-2:C[6a]-3:	B[6,6,6a]-4:C[6a]-3:C[6a]-3:	B[6,6,6a]-4:N[5a,6,6a]-3:N[5a]-3:	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(N[6,6]C[6,6])(C[6a]C[6a]2)	C[6a](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]N[6,6])(C[6a]C[6a]H)2	C[5a,6,6a](B[6,6,6a]N[5a,6,6a]N[6,6]C[6a])(N[5a,6,6a]B[6,6,6a]C[5a])(N[5a]C[5a]C)	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(N[6,6]C[6,6])(C[6a]C[6a]2){1|B<4>,1|C<4>,1|N<3>,3|H<1>,6|C<3>}	C[6a](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]N[6,6])(C[6a]C[6a]H)2{2|H<1>,2|N<3>,4|C<3>}	C[5a,6,6a](B[6,6,6a]N[5a,6,6a]N[6,6]C[6a])(N[5a,6,6a]B[6,6,6a]C[5a])(N[5a]C[5a]C){2|H<1>,6|C<3>}	117.7970	0.000	1	117.7970	0.000	1	117.7970	0.000	1	118.7850	0.904	3	116.1542	8.984	10	113.6405	12.766	40
811	643	727	0:SP3_SP2_SP2	B[6,6,6a]	C[6a]	C[5a,6,6a]	3:3:2:3:	4:3:3:	4:3:3:	C[5a,6,6a]-3:N[5a,6,6a]-3:O[6,6]-2:C[6a]-3:	B[6,6,6a]-4:C[6a]-3:C[6a]-3:	B[6,6,6a]-4:N[5a,6,6a]-3:N[5a]-3:	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(O[6,6]O[6,6])(C[6a]C[6a]2)	C[6a](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]O[6,6])(C[6a]C[6a]H)2	C[5a,6,6a](B[6,6,6a]N[5a,6,6a]O[6,6]C[6a])(N[5a,6,6a]B[6,6,6a]C[5a])(N[5a]C[5a]C)	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(O[6,6]O[6,6])(C[6a]C[6a]2){1|B<4>,1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[6a](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]O[6,6])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,2|N<3>,3|C<3>}	C[5a,6,6a](B[6,6,6a]N[5a,6,6a]O[6,6]C[6a])(N[5a,6,6a]B[6,6,6a]C[5a])(N[5a]C[5a]C){1|O<2>,2|H<1>,5|C<3>}	119.2790	0.585	2	119.2790	0.343	2	119.2790	0.343	2	118.7850	0.904	3	116.1542	8.984	10	113.6405	12.766	40
811	643	727	0:SP3_SP2_SP2	B[6,6,6a]	C[6a]	C[5a,6,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5a,6,6a]-3:N[5a,6,6a]-3:C[6,6]-3:C[6a]-3:	B[6,6,6a]-4:C[6a]-3:C[6a]-3:	B[6,6,6a]-4:N[5a,6,6a]-3:N[5a]-3:	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(C[6,6]C[6,6]C)(C[6a]C[6a]2)	C[6a](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6,6])(C[6a]C[6a]H)2	C[5a,6,6a](B[6,6,6a]N[5a,6,6a]C[6,6]C[6a])(N[5a,6,6a]B[6,6,6a]C[5a])(N[5a]C[5a]C)	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(C[6,6]C[6,6]C)(C[6a]C[6a]2){1|B<4>,1|C<4>,1|N<3>,3|H<1>,7|C<3>}	C[6a](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6,6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,2|N<3>,4|C<3>}	C[5a,6,6a](B[6,6,6a]N[5a,6,6a]C[6,6]C[6a])(N[5a,6,6a]B[6,6,6a]C[5a])(N[5a]C[5a]C){1|C<4>,2|H<1>,6|C<3>}	113.2450	0.194	2	113.2450	0.038	2	115.4167	14.167	3	115.4167	14.167	3	116.1542	8.984	10	113.6405	12.766	40
811	643	727	0:SP3_SP2_SP2	B[6,6,6a]	C[6a]	C[5a,6,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5a,6,6a]-3:N[5a,6,6a]-3:C[6,6]-3:C[6a]-3:	B[6,6,6a]-4:C[6a]-3:C[6a]-3:	B[6,6,6a]-4:N[5a,6,6a]-3:N[5a]-3:	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(C[6,6]N[6,6]C[6a])(C[6a]C[6a]2)	C[6a](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6,6])(C[6a]C[6a]H)2	C[5a,6,6a](B[6,6,6a]N[5a,6,6a]C[6,6]C[6a])(N[5a,6,6a]B[6,6,6a]C[5a])(N[5a]C[5a]C)	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(C[6,6]N[6,6]C[6a])(C[6a]C[6a]2){1|B<4>,1|C<4>,1|N<3>,3|H<1>,7|C<3>}	C[6a](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6,6])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,2|N<3>,4|C<3>}	C[5a,6,6a](B[6,6,6a]N[5a,6,6a]C[6,6]C[6a])(N[5a,6,6a]B[6,6,6a]C[5a])(N[5a]C[5a]C){1|N<2>,2|H<1>,6|C<3>}	119.7600	0.000	1	119.7600	0.000	1	115.4167	14.167	3	115.4167	14.167	3	116.1542	8.984	10	113.6405	12.766	40
811	643	727	0:SP3_SP2_SP2	B[6,6,6a]	C[6a]	C[5a,6,6a]	3:3:4:3:	4:3:3:	4:3:3:	C[5a,6,6a]-3:N[5a,6,6a]-3:C[6,6]-4:C[6a]-3:	B[6,6,6a]-4:C[6a]-3:C[6a]-3:	B[6,6,6a]-4:N[5a,6,6a]-3:N[5a]-3:	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(C[6,6]C[6,6]C[6a]2)(C[6a]C[6a]2)	C[6a](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6,6])(C[6a]C[6a]H)2	C[5a,6,6a](B[6,6,6a]N[5a,6,6a]C[6,6]C[6a])(N[5a,6,6a]B[6,6,6a]C[5a])(N[5a]C[5a]C)	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(C[6,6]C[6,6]C[6a]2)(C[6a]C[6a]2){10|C<3>,1|B<4>,1|C<4>,1|N<3>,3|H<1>}	C[6a](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6,6])(C[6a]C[6a]H)2{2|H<1>,2|N<3>,6|C<3>}	C[5a,6,6a](B[6,6,6a]N[5a,6,6a]C[6,6]C[6a])(N[5a,6,6a]B[6,6,6a]C[5a])(N[5a]C[5a]C){2|H<1>,8|C<3>}	112.4945	0.398	2	112.4945	0.158	2	114.7343	6.751	4	114.7343	6.751	4	116.1542	8.984	10	113.6405	12.766	40
811	643	727	0:SP3_SP2_SP2	B[6,6,6a]	C[6a]	C[5a,6,6a]	3:3:4:3:	4:3:3:	4:3:3:	C[5a,6,6a]-3:N[5a,6,6a]-3:C[6,6]-4:C[6a]-3:	B[6,6,6a]-4:C[6a]-3:C[6a]-3:	B[6,6,6a]-4:N[5a,6,6a]-3:N[5a]-3:	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(C[6,6]C[6,6]C[6a]H)(C[6a]C[6a]2)	C[6a](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6,6])(C[6a]C[6a]H)2	C[5a,6,6a](B[6,6,6a]N[5a,6,6a]C[6,6]C[6a])(N[5a,6,6a]B[6,6,6a]C[5a])(N[5a]C[5a]C)	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(C[6,6]C[6,6]C[6a]H)(C[6a]C[6a]2){1|B<4>,1|C<4>,1|N<3>,5|H<1>,7|C<3>}	C[6a](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6,6])(C[6a]C[6a]H)2{1|C<4>,2|N<3>,3|H<1>,4|C<3>}	C[5a,6,6a](B[6,6,6a]N[5a,6,6a]C[6,6]C[6a])(N[5a,6,6a]B[6,6,6a]C[5a])(N[5a]C[5a]C){1|C<4>,3|H<1>,6|C<3>}	116.8550	0.000	1	116.8550	0.000	1	114.7343	6.751	4	114.7343	6.751	4	116.1542	8.984	10	113.6405	12.766	40
811	643	727	0:SP3_SP2_SP2	B[6,6,6a]	C[6a]	C[5a,6,6a]	3:3:4:3:	4:3:3:	4:3:3:	C[5a,6,6a]-3:N[5a,6,6a]-3:C[6,6]-4:C[6a]-3:	B[6,6,6a]-4:C[6a]-3:C[6a]-3:	B[6,6,6a]-4:N[5a,6,6a]-3:N[5a]-3:	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(C[6,6]C[6,6]HH)(C[6a]C[6a]2)	C[6a](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6,6])(C[6a]C[6a]H)2	C[5a,6,6a](B[6,6,6a]N[5a,6,6a]C[6,6]C[6a])(N[5a,6,6a]B[6,6,6a]C[5a])(N[5a]C[5a]C)	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(C[6,6]C[6,6]HH)(C[6a]C[6a]2){1|B<4>,1|C<4>,1|N<3>,4|H<1>,6|C<3>}	C[6a](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6,6])(C[6a]C[6a]H)2{1|C<4>,2|N<3>,3|C<3>,4|H<1>}	C[5a,6,6a](B[6,6,6a]N[5a,6,6a]C[6,6]C[6a])(N[5a,6,6a]B[6,6,6a]C[5a])(N[5a]C[5a]C){1|C<4>,4|H<1>,5|C<3>}	117.0930	0.000	1	117.0930	0.000	1	114.7343	6.751	4	114.7343	6.751	4	116.1542	8.984	10	113.6405	12.766	40
811	643	727	0:SP3_SP2_SP2	B[6a]	C[6a]	C[5,6a]	3:3:3:4:	4:3:3:	4:3:2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C-4:	B[6a]-4:C[6a]-3:C[6a]-3:	B[6a]-4:N[5,6a]-3:O[5]-2:	B[6a](C[5,6a]N[5,6a]O[5])2(C[6a]C[6a]2)(CH3)	C[6a](B[6a]C[5,6a]2C)(C[6a]C[6a]H)2	C[5,6a](B[6a]C[5,6a]C[6a]C)(N[5,6a]B[6a]C[5])(O[5]C[5])	B[6a](C[5,6a]N[5,6a]O[5])2(C[6a]C[6a]2)(CH3){1|B<4>,2|C<3>,2|H<1>,4|C<4>}	C[6a](B[6a]C[5,6a]2C)(C[6a]C[6a]H)2{1|C<3>,2|H<1>,2|N<3>,2|O<2>}	C[5,6a](B[6a]C[5,6a]C[6a]C)(N[5,6a]B[6a]C[5])(O[5]C[5]){1|N<3>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	109.7045	1.055	4	109.7045	1.113	4	109.7045	1.113	4	109.7045	1.113	4	109.7045	1.113	4	113.6405	12.766	40
811	643	727	0:SP3_SP2_SP2	B[6a]	C[6a]	C[5a,6a]	3:3:3:1:	4:3:3:	4:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:Cl-1:	B[6a]-4:C[6a]-3:C[6a]-3:	B[6a]-4:N[5a,6a]-3:N[5a]-3:	B[6a](C[5a,6a]N[5a,6a]N[5a])2(C[6a]C[6a]2)(Cl)	C[6a](B[6a]C[5a,6a]2Cl)(C[6a]C[6a]H)2	C[5a,6a](B[6a]C[5a,6a]C[6a]Cl)(N[5a,6a]B[6a]C[5a])(N[5a]C[5a]C[6a])	B[6a](C[5a,6a]N[5a,6a]N[5a])2(C[6a]C[6a]2)(Cl){1|B<4>,2|H<1>,8|C<3>}	C[6a](B[6a]C[5a,6a]2Cl)(C[6a]C[6a]H)2{1|C<3>,2|H<1>,4|N<3>}	C[5a,6a](B[6a]C[5a,6a]C[6a]Cl)(N[5a,6a]B[6a]C[5a])(N[5a]C[5a]C[6a]){1|F<1>,2|N<3>,7|C<3>}	110.4635	0.093	2	110.4635	0.009	2	110.4635	0.009	2	112.2427	4.093	6	111.1993	3.645	15	113.6405	12.766	40
811	643	727	0:SP3_SP2_SP2	B[6a]	C[6a]	C[5a,6a]	3:3:3:1:	4:3:3:	4:3:3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:Cl-1:	B[6a]-4:C[6a]-3:C[6a]-3:	B[6a]-4:N[5a,6a]-3:N[5a]-3:	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(Cl)	C[6a](B[6a]C[5a,6a]N[5a,6a]Cl)(C[6a]C[6a]H)2	C[5a,6a](B[6a]N[5a,6a]C[6a]Cl)(N[5a,6a]B[6a]C[5a])(N[5a]C[5a]C)	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(Cl){1|B<4>,1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[6a](B[6a]C[5a,6a]N[5a,6a]Cl)(C[6a]C[6a]H)2{2|H<1>,2|N<3>,3|C<3>}	C[5a,6a](B[6a]N[5a,6a]C[6a]Cl)(N[5a,6a]B[6a]C[5a])(N[5a]C[5a]C){1|Cl<1>,2|H<1>,5|C<3>}	114.3030	0.000	1	114.3030	0.000	1	113.5010	1.286	2	112.2427	4.093	6	111.1993	3.645	15	113.6405	12.766	40
811	643	727	0:SP3_SP2_SP2	B[6a]	C[6a]	C[5a,6a]	3:3:3:1:	4:3:3:	4:3:3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:Cl-1:	B[6a]-4:C[6a]-3:C[6a]-3:	B[6a]-4:N[5a,6a]-3:N[5a]-3:	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(Cl)	C[6a](B[6a]C[5a,6a]N[5a,6a]Cl)(C[6a]C[6a]H)2	C[5a,6a](B[6a]N[5a,6a]C[6a]Cl)(N[5a,6a]B[6a]C[5a])(N[5a]C[5a]C[6a])	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(Cl){1|B<4>,1|N<3>,2|H<1>,7|C<3>}	C[6a](B[6a]C[5a,6a]N[5a,6a]Cl)(C[6a]C[6a]H)2{2|H<1>,2|N<3>,3|C<3>}	C[5a,6a](B[6a]N[5a,6a]C[6a]Cl)(N[5a,6a]B[6a]C[5a])(N[5a]C[5a]C[6a]){1|Cl<1>,9|C<3>}	112.6990	0.000	1	112.6990	0.000	1	113.5010	1.286	2	112.2427	4.093	6	111.1993	3.645	15	113.6405	12.766	40
811	643	727	0:SP3_SP2_SP2	B[6a]	C[6a]	C[5a,6a]	3:3:3:1:	4:3:3:	4:3:3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:H-1:	B[6a]-4:C[6a]-3:C[6a]-3:	B[6a]-4:N[5a,6a]-3:N[5a]-3:	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)	C[6a](B[6a]C[5a,6a]N[5a,6a]H)(C[6a]C[6a]H)2	C[5a,6a](B[6a]N[5a,6a]C[6a]H)(N[5a,6a]B[6a]C[5a])(N[5a]C[5a]C)	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H){1|B<4>,1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[6a](B[6a]C[5a,6a]N[5a,6a]H)(C[6a]C[6a]H)2{2|H<1>,2|N<3>,3|C<3>}	C[5a,6a](B[6a]N[5a,6a]C[6a]H)(N[5a,6a]B[6a]C[5a])(N[5a]C[5a]C){1|B<3>,2|H<1>,5|C<3>}	110.6270	0.000	1	112.7635	9.129	2	112.7635	9.129	2	112.2427	4.093	6	111.1993	3.645	15	113.6405	12.766	40
811	643	727	0:SP3_SP2_SP2	B[6a]	C[6a]	C[5a,6a]	3:3:3:1:	4:3:3:	4:3:3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:H-1:	B[6a]-4:C[6a]-3:C[6a]-3:	B[6a]-4:N[5a,6a]-3:N[5a]-3:	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)	C[6a](B[6a]C[5a,6a]N[5a,6a]H)(C[6a]C[6a]H)2	C[5a,6a](B[6a]N[5a,6a]C[6a]H)(N[5a,6a]B[6a]C[5a])(N[5a]C[5a]C)	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H){1|B<4>,1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[6a](B[6a]C[5a,6a]N[5a,6a]H)(C[6a]C[6a]H)2{2|H<1>,2|N<3>,3|C<3>}	C[5a,6a](B[6a]N[5a,6a]C[6a]H)(N[5a,6a]B[6a]C[5a])(N[5a]C[5a]C){1|P<3>,2|H<1>,5|C<3>}	114.9000	0.000	1	112.7635	9.129	2	112.7635	9.129	2	112.2427	4.093	6	111.1993	3.645	15	113.6405	12.766	40
811	643	727	0:SP3_SP2_SP2	B[6a]	C[6a]	C[5a,6a]	3:3:3:2:	4:3:3:	4:3:3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:O-2:	B[6a]-4:C[6a]-3:C[6a]-3:	B[6a]-4:N[5a,6a]-3:N[5a]-3:	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(OB[5])	C[6a](B[6a]C[5a,6a]N[5a,6a]O)(C[6a]C[6a]H)2	C[5a,6a](B[6a]N[5a,6a]C[6a]O)(N[5a,6a]B[6a]C[5a])(N[5a]C[5a]C)	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(OB[5]){1|B<4>,1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[6a](B[6a]C[5a,6a]N[5a,6a]O)(C[6a]C[6a]H)2{2|H<1>,2|N<3>,3|C<3>}	C[5a,6a](B[6a]N[5a,6a]C[6a]O)(N[5a,6a]B[6a]C[5a])(N[5a]C[5a]C){1|O<2>,2|H<1>,5|C<3>}	111.4190	0.000	1	111.4190	0.000	1	111.1070	1.369	7	111.1070	1.369	7	111.1993	3.645	15	113.6405	12.766	40
811	643	727	0:SP3_SP2_SP2	B[6a]	C[6a]	C[5a,6a]	3:3:3:2:	4:3:3:	4:3:3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:O-2:	B[6a]-4:C[6a]-3:C[6a]-3:	B[6a]-4:N[5a,6a]-3:N[5a]-3:	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(OB[6a])	C[6a](B[6a]C[5a,6a]N[5a,6a]O)(C[6a]C[6a]H)2	C[5a,6a](B[6a]N[5a,6a]C[6a]O)(N[5a,6a]B[6a]C[5a])(N[5a]C[5a]C)	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(OB[6a]){1|B<4>,1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[6a](B[6a]C[5a,6a]N[5a,6a]O)(C[6a]C[6a]H)2{2|H<1>,2|N<3>,3|C<3>}	C[5a,6a](B[6a]N[5a,6a]C[6a]O)(N[5a,6a]B[6a]C[5a])(N[5a]C[5a]C){1|O<2>,2|H<1>,5|C<3>}	110.4115	1.007	4	110.4115	1.014	4	111.1070	1.369	7	111.1070	1.369	7	111.1993	3.645	15	113.6405	12.766	40
811	643	727	0:SP3_SP2_SP2	B[6a]	C[6a]	C[5a,6a]	3:3:3:2:	4:3:3:	4:3:3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:O-2:	B[6a]-4:C[6a]-3:C[6a]-3:	B[6a]-4:N[5a,6a]-3:N[5a]-3:	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(ON[6])	C[6a](B[6a]C[5a,6a]N[5a,6a]O)(C[6a]C[6a]H)2	C[5a,6a](B[6a]N[5a,6a]C[6a]O)(N[5a,6a]B[6a]C[5a])(N[5a]C[5a]C)	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(ON[6]){1|B<4>,1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[6a](B[6a]C[5a,6a]N[5a,6a]O)(C[6a]C[6a]H)2{2|H<1>,2|N<3>,3|C<3>}	C[5a,6a](B[6a]N[5a,6a]C[6a]O)(N[5a,6a]B[6a]C[5a])(N[5a]C[5a]C){1|O<2>,2|H<1>,5|C<3>}	112.3420	0.297	2	112.3420	0.088	2	111.1070	1.369	7	111.1070	1.369	7	111.1993	3.645	15	113.6405	12.766	40
811	643	727	0:SP3_SP2_SP2	B[6a]	C[6a]	C[5a,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:B[5]-3:	B[6a]-4:C[6a]-3:C[6a]-3:	B[6a]-4:N[5a,6a]-3:N[5a]-3:	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(B[5]O[5]2)	C[6a](B[6a]C[5a,6a]N[5a,6a]B[5])(C[6a]C[6a]H)2	C[5a,6a](B[6a]N[5a,6a]C[6a]B[5])(N[5a,6a]B[6a]C[5a])(N[5a]C[5a]C)	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(B[5]O[5]2){1|B<4>,1|N<3>,3|C<4>,3|H<1>,5|C<3>}	C[6a](B[6a]C[5a,6a]N[5a,6a]B[5])(C[6a]C[6a]H)2{2|H<1>,2|N<3>,2|O<2>,3|C<3>}	C[5a,6a](B[6a]N[5a,6a]C[6a]B[5])(N[5a,6a]B[6a]C[5a])(N[5a]C[5a]C){2|O<2>,3|H<1>,5|C<3>}	108.3220	0.000	1	108.3220	0.000	1	108.3220	0.000	1	108.3925	0.010	2	111.1993	3.645	15	113.6405	12.766	40
811	643	727	0:SP3_SP2_SP2	B[6a]	C[6a]	C[5a,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:P-3:	B[6a]-4:C[6a]-3:C[6a]-3:	B[6a]-4:N[5a,6a]-3:N[5a]-3:	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(PC[6a]2)	C[6a](B[6a]C[5a,6a]N[5a,6a]P)(C[6a]C[6a]H)2	C[5a,6a](B[6a]N[5a,6a]C[6a]P)(N[5a,6a]B[6a]C[5a])(N[5a]C[5a]C)	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(PC[6a]2){1|B<4>,1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[6a](B[6a]C[5a,6a]N[5a,6a]P)(C[6a]C[6a]H)2{2|H<1>,2|N<3>,3|C<3>}	C[5a,6a](B[6a]N[5a,6a]C[6a]P)(N[5a,6a]B[6a]C[5a])(N[5a]C[5a]C){3|H<1>,5|C<3>}	108.4630	0.000	1	108.4630	0.000	1	108.4630	0.000	1	108.3925	0.010	2	111.1993	3.645	15	113.6405	12.766	40
811	643	727	6:SP3_SP2_SP2	B[3x6a]	C[6a,6a]	C[5a,6a,6a]	3:3:3:3:	4:3:2:	4:3:3:	C[5a,6a,6a]-3:N[5,6a,6a]-3:C[6a,6a]-3:C[6a]-3:	B[3x6a]-4:N[6a,6a]-3:C-2:	B[3x6a]-4:N[5a,6a,6a]-3:N[5a]-3:	B[3x6a](C[5a,6a,6a]N[5a,6a,6a]N[5a])(N[5,6a,6a]C[5,6a,6a]C[5])(C[6a,6a]N[6a,6a]C)(C[6a]C[6a]2)	C[6a,6a](B[3x6a]C[5a,6a,6a]N[5,6a,6a]C[6a])(N[6a,6a]B[3x6a]C[6a])(CN)	C[5a,6a,6a](B[3x6a]N[5,6a,6a]C[6a,6a]C[6a])(N[5a,6a,6a]B[3x6a]C[5a])(N[5a]C[5a]C)	B[3x6a](C[5a,6a,6a]N[5a,6a,6a]N[5a])(N[5,6a,6a]C[5,6a,6a]C[5])(C[6a,6a]N[6a,6a]C)(C[6a]C[6a]2){1|B<4>,1|C<4>,1|N<3>,3|H<1>,6|C<3>}	C[6a,6a](B[3x6a]C[5a,6a,6a]N[5,6a,6a]C[6a])(N[6a,6a]B[3x6a]C[6a])(CN){2|N<3>,7|C<3>}	C[5a,6a,6a](B[3x6a]N[5,6a,6a]C[6a,6a]C[6a])(N[5a,6a,6a]B[3x6a]C[5a])(N[5a]C[5a]C){1|C<2>,1|N<3>,2|H<1>,5|C<3>}	101.6550	0.000	1	101.6550	0.000	1	101.6550	0.000	1	101.6550	0.000	1	101.6550	0.000	1	101.6550	0.000	1
811	643	762	0:SP3_SP2_SP2	B[6,6,6a]	C[6a]	C[6,6]	3:3:3:3:	4:3:3:	4:2:3:	C[5a,6,6a]-3:N[5a,6,6a]-3:C[6,6]-3:C[6a]-3:	B[6,6,6a]-4:C[6a]-3:C[6a]-3:	B[6,6,6a]-4:N[6,6]-2:C[6a]-3:	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(C[6,6]N[6,6]C[6a])(C[6a]C[6a]2)	C[6a](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6,6])(C[6a]C[6a]H)2	C[6,6](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6a])(N[6,6]B[6,6,6a])(C[6a]C[6a]2)	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(C[6,6]N[6,6]C[6a])(C[6a]C[6a]2){1|B<4>,1|C<4>,1|N<3>,3|H<1>,7|C<3>}	C[6a](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6,6])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,2|N<3>,4|C<3>}	C[6,6](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6a])(N[6,6]B[6,6,6a])(C[6a]C[6a]2){2|H<1>,2|N<3>,7|C<3>}	126.6590	0.000	1	126.6590	0.000	1	126.6590	0.000	1	126.6590	0.000	1	122.7650	11.474	3	122.7650	11.474	3
811	643	762	0:SP3_SP2_SP2	B[6,6,6a]	C[6a]	C[6,6]	3:3:3:3:	4:3:3:	4:4:3:	C[5a,6,6a]-3:N[5a,6,6a]-3:C[6,6]-3:C[6a]-3:	B[6,6,6a]-4:C[6a]-3:C[6a]-3:	B[6,6,6a]-4:C[6,6]-4:C-3:	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(C[6,6]C[6,6]C)(C[6a]C[6a]2)	C[6a](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6,6])(C[6a]C[6a]H)2	C[6,6](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6a])(C[6,6]B[6,6,6a]C[6a]2)(CHH)	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(C[6,6]C[6,6]C)(C[6a]C[6a]2){1|B<4>,1|C<4>,1|N<3>,3|H<1>,7|C<3>}	C[6a](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6,6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,2|N<3>,4|C<3>}	C[6,6](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6a])(C[6,6]B[6,6,6a]C[6a]2)(CHH){2|N<3>,9|C<3>}	120.8180	0.451	2	120.8180	0.204	2	120.8180	0.204	2	120.8180	0.204	2	122.7650	11.474	3	122.7650	11.474	3
811	643	781	0:SP3_SP2_SP3	B[6a]	C[6a]	N[6a]	3:4:3:3:	4:3:3:	3:4:1:1:	C[6a,6a]-3:N[6a]-4:C[6a]-3:C[6a]-3:	B[6a]-4:C[6a]-3:C[6a]-3:	C[6a,6a]-3:B[6a]-4:H-1:H-1:	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]HH)(C[6a]C[6a]2)2	C[6a](B[6a]C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]F)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]C[6a]2)(H)2	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]HH)(C[6a]C[6a]2)2{10|C<3>,3|F<1>}	C[6a](B[6a]C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]F){2|F<1>,2|H<1>,8|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]C[6a]2)(H)2{1|F<1>,8|C<3>}	103.5408	0.457	4	103.5408	0.209	4	103.5408	0.209	4	103.5408	0.209	4	103.5408	0.209	4	103.5408	0.209	4
811	643	781	6:SP3_SP2_SP3	B[6,6a]	C[6a,6a]	N[6a]	3:4:2:2:	4:3:3:	4:2:4:4:	C[6a,6a]-3:N[6a]-4:O[6]-2:O[6]-2:	B[6,6a]-4:C[6a,6a]-3:C[6a]-3:	B[6,6a]-4:N[6a]-2:C-4:C-4:	B[6,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]CC)(O[6]B[6,6a])(O[6]B[6])	C[6a,6a](B[6,6a]N[6a]O[6]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[6a](B[6,6a]C[6a,6a]O[6]2)(N[6a]C[6a])(CH3)2	B[6,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]CC)(O[6]B[6,6a])(O[6]B[6]){1|H<1>,1|N<4>,1|O<2>,5|C<3>}	C[6a,6a](B[6,6a]N[6a]O[6]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|B<3>,1|B<4>,1|C<3>,1|N<2>,2|C<4>,3|H<1>}	N[6a](B[6,6a]C[6a,6a]O[6]2)(N[6a]C[6a])(CH3)2{1|B<3>,1|B<4>,1|H<1>,2|C<3>}	103.3430	0.409	2	103.3430	0.167	2	103.3430	0.167	2	103.3430	0.167	2	103.3430	0.167	2	102.5075	1.184	4
811	643	781	6:SP3_SP2_SP3	B[6a]	C[6a,6a]	N[6a]	3:4:3:3:	3:4:3:	3:4:1:1:	C[6a,6a]-3:N[6a]-4:C[6a]-3:C[6a]-3:	C[6a,6a]-3:B[6a]-4:C[6a]-3:	C[6a,6a]-3:B[6a]-4:H-1:H-1:	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]HH)(C[6a]C[6a]2)2	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]2N[6a])(C[6a]C[6a]F)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]C[6a]2)(H)2	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]HH)(C[6a]C[6a]2)2{10|C<3>,3|F<1>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]2N[6a])(C[6a]C[6a]F){2|F<1>,2|H<1>,7|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]C[6a]2)(H)2{1|F<1>,8|C<3>}	101.6720	0.771	2	101.6720	0.594	2	101.6720	0.594	2	101.6720	0.594	2	101.6720	0.594	2	102.5075	1.184	4
811	643	790	0:SP3_SP-NON_SP2	B[6a]	C[6a]	Cl	3:2:1:1:	4:4:3:	4:	C[6a]-3:O[6a]-2:Cl-1:Cl-1:	B[6a]-4:B[6a]-4:C-3:	B[6a]-4:	B[6a](C[6a]B[6a]C)(O[6a]C[6a])(Cl)2	C[6a](B[6a]O[6a]Cl2)2(CCC)	Cl(B[6a]C[6a]O[6a]Cl)	B[6a](C[6a]B[6a]C)(O[6a]C[6a])(Cl)2{2|Cl<1>,1|O<2>,1|P<4>}	C[6a](B[6a]O[6a]Cl2)2(CCC){1|C<3>}	Cl(B[6a]C[6a]O[6a]Cl)	116.0872	2.388	4	116.0872	5.701	4	116.0872	5.701	4	116.0872	5.701	4	114.2383	8.198	7	114.2383	8.198	7
811	643	790	0:SP3_SP-NON_SP2	B[6a]	C[6a]	Cl	3:3:3:1:	4:3:3:	4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:Cl-1:	B[6a]-4:C[6a]-3:C[6a]-3:	B[6a]-4:	B[6a](C[5a,6a]N[5a,6a]N[5a])2(C[6a]C[6a]2)(Cl)	C[6a](B[6a]C[5a,6a]2Cl)(C[6a]C[6a]H)2	Cl(B[6a]C[5a,6a]2C[6a])	B[6a](C[5a,6a]N[5a,6a]N[5a])2(C[6a]C[6a]2)(Cl){1|B<4>,2|H<1>,8|C<3>}	C[6a](B[6a]C[5a,6a]2Cl)(C[6a]C[6a]H)2{1|C<3>,2|H<1>,4|N<3>}	Cl(B[6a]C[5a,6a]2C[6a])	111.7990	0.000	1	111.7990	0.000	1	111.7990	0.000	1	111.7730	0.089	3	114.2383	8.198	7	114.2383	8.198	7
811	643	790	0:SP3_SP-NON_SP2	B[6a]	C[6a]	Cl	3:3:3:1:	4:3:3:	4:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:Cl-1:	B[6a]-4:C[6a]-3:C[6a]-3:	B[6a]-4:	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(Cl)	C[6a](B[6a]C[5a,6a]N[5a,6a]Cl)(C[6a]C[6a]H)2	Cl(B[6a]C[5a,6a]N[5a,6a]C[6a])	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(Cl){1|B<4>,1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[6a](B[6a]C[5a,6a]N[5a,6a]Cl)(C[6a]C[6a]H)2{2|H<1>,2|N<3>,3|C<3>}	Cl(B[6a]C[5a,6a]N[5a,6a]C[6a])	111.4620	0.000	1	111.7600	0.178	2	111.7600	0.178	2	111.7730	0.089	3	114.2383	8.198	7	114.2383	8.198	7
811	643	790	0:SP3_SP-NON_SP2	B[6a]	C[6a]	Cl	3:3:3:1:	4:3:3:	4:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:Cl-1:	B[6a]-4:C[6a]-3:C[6a]-3:	B[6a]-4:	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(Cl)	C[6a](B[6a]C[5a,6a]N[5a,6a]Cl)(C[6a]C[6a]H)2	Cl(B[6a]C[5a,6a]N[5a,6a]C[6a])	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(Cl){1|B<4>,1|N<3>,2|H<1>,7|C<3>}	C[6a](B[6a]C[5a,6a]N[5a,6a]Cl)(C[6a]C[6a]H)2{2|H<1>,2|N<3>,3|C<3>}	Cl(B[6a]C[5a,6a]N[5a,6a]C[6a])	112.0580	0.000	1	111.7600	0.178	2	111.7600	0.178	2	111.7730	0.089	3	114.2383	8.198	7	114.2383	8.198	7
811	643	813	0:SP3_SP2_SP2	B[3x6a]	C[6a]	N[5,6a,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:N[5,6a,6a]-3:C[6a]-3:	B[3x6a]-4:C[6a]-3:C[6a]-3:	B[3x6a]-4:C[5,6a,6a]-3:C[5]-3:	B[3x6a](C[5a,6a,6a]N[5a,6a,6a]C[5a])(C[5a,6a,6a]N[5a,6a,6a]N[5a])(N[5,6a,6a]C[5,6a,6a]C[5])(C[6a]C[6a]2)	C[6a](B[3x6a]C[5a,6a,6a]2N[5,6a,6a])(C[6a]C[6a]H)2	N[5,6a,6a](B[3x6a]C[5a,6a,6a]2C[6a])(C[5,6a,6a]B[3x6a]N[5])(C[5]C[5]H)	B[3x6a](C[5a,6a,6a]N[5a,6a,6a]C[5a])(C[5a,6a,6a]N[5a,6a,6a]N[5a])(N[5,6a,6a]C[5,6a,6a]C[5])(C[6a]C[6a]2){1|B<4>,1|C<4>,2|N<3>,3|H<1>,7|C<3>}	C[6a](B[3x6a]C[5a,6a,6a]2N[5,6a,6a])(C[6a]C[6a]H)2{2|H<1>,3|N<3>,4|C<3>}	N[5,6a,6a](B[3x6a]C[5a,6a,6a]2C[6a])(C[5,6a,6a]B[3x6a]N[5])(C[5]C[5]H){1|C<4>,1|H<1>,3|N<3>,4|C<3>}	118.0900	0.000	1	118.0900	0.000	1	118.0900	0.000	1	116.7635	3.519	2	116.7635	3.519	2	110.0345	8.744	63
811	643	813	0:SP3_SP2_SP2	B[3x6a]	C[6a]	N[5,6a,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5a,6a,6a]-3:N[5,6a,6a]-3:C[6a,6a]-3:C[6a]-3:	B[3x6a]-4:C[6a]-3:C[6a]-3:	B[3x6a]-4:C[5,6a,6a]-3:C[5]-3:	B[3x6a](C[5a,6a,6a]N[5a,6a,6a]N[5a])(N[5,6a,6a]C[5,6a,6a]C[5])(C[6a,6a]N[6a,6a]C)(C[6a]C[6a]2)	C[6a](B[3x6a]C[5a,6a,6a]N[5,6a,6a]C[6a,6a])(C[6a]C[6a]H)2	N[5,6a,6a](B[3x6a]C[5a,6a,6a]C[6a,6a]C[6a])(C[5,6a,6a]B[3x6a]N[5])(C[5]C[5]H)	B[3x6a](C[5a,6a,6a]N[5a,6a,6a]N[5a])(N[5,6a,6a]C[5,6a,6a]C[5])(C[6a,6a]N[6a,6a]C)(C[6a]C[6a]2){1|B<4>,1|C<4>,1|N<3>,3|H<1>,6|C<3>}	C[6a](B[3x6a]C[5a,6a,6a]N[5,6a,6a]C[6a,6a])(C[6a]C[6a]H)2{1|C<2>,2|H<1>,3|C<3>,3|N<3>}	N[5,6a,6a](B[3x6a]C[5a,6a,6a]C[6a,6a]C[6a])(C[5,6a,6a]B[3x6a]N[5])(C[5]C[5]H){1|C<2>,1|C<4>,1|H<1>,3|C<3>,3|N<3>}	115.4370	0.000	1	115.4370	0.000	1	115.4370	0.000	1	116.7635	3.519	2	116.7635	3.519	2	110.0345	8.744	63
811	643	813	0:SP3_SP2_SP2	B[3x6a]	C[6a]	N[5a,6a,6a]	3:3:3:3:	4:3:3:	4:3:3:	N[5a,6a,6a]-3:C[5,6a,6a]-3:N[6a,6a]-3:C[6a]-3:	B[3x6a]-4:C[6a]-3:C[6a]-3:	B[3x6a]-4:C[5a,6a,6a]-3:C[5a]-3:	B[3x6a](N[5a,6a,6a]C[5a,6a,6a]C[5a])(C[5,6a,6a]N[5,6a,6a]N[5])(N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](B[3x6a]N[5a,6a,6a]C[5,6a,6a]N[6a,6a])(C[6a]C[6a]H)2	N[5a,6a,6a](B[3x6a]C[5,6a,6a]N[6a,6a]C[6a])(C[5a,6a,6a]B[3x6a]N[5a])(C[5a]C[5a]H)	B[3x6a](N[5a,6a,6a]C[5a,6a,6a]C[5a])(C[5,6a,6a]N[5,6a,6a]N[5])(N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|B<4>,1|C<2>,1|C<4>,1|N<3>,3|H<1>,7|C<3>}	C[6a](B[3x6a]N[5a,6a,6a]C[5,6a,6a]N[6a,6a])(C[6a]C[6a]H)2{2|H<1>,2|N<3>,5|C<3>}	N[5a,6a,6a](B[3x6a]C[5,6a,6a]N[6a,6a]C[6a])(C[5a,6a,6a]B[3x6a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,2|N<3>,5|C<3>}	112.4310	0.000	1	112.4310	0.000	1	112.4310	0.000	1	109.0960	22.244	2	109.0960	22.244	2	110.0345	8.744	63
811	643	813	0:SP3_SP2_SP2	B[3x6a]	C[6a]	N[5a,6a,6a]	3:3:3:3:	4:3:3:	4:3:3:	N[5a,6a,6a]-3:N[5a,6a,6a]-3:C[5,6a,6a]-3:C[6a]-3:	B[3x6a]-4:C[6a]-3:C[6a]-3:	B[3x6a]-4:C[5a,6a,6a]-3:C[5a]-3:	B[3x6a](N[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(N[5a,6a,6a]C[5a,6a,6a]C[5a])(C[5,6a,6a]N[5,6a,6a]N[5])(C[6a]C[6a]2)	C[6a](B[3x6a]N[5a,6a,6a]2C[5,6a,6a])(C[6a]C[6a]H)2	N[5a,6a,6a](B[3x6a]N[5a,6a,6a]C[5,6a,6a]C[6a])(C[5a,6a,6a]B[3x6a]N[5a])(C[5a]C[5a]H)	B[3x6a](N[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(N[5a,6a,6a]C[5a,6a,6a]C[5a])(C[5,6a,6a]N[5,6a,6a]N[5])(C[6a]C[6a]2){1|B<4>,1|C<4>,1|N<3>,3|H<1>,8|C<3>}	C[6a](B[3x6a]N[5a,6a,6a]2C[5,6a,6a])(C[6a]C[6a]H)2{2|H<1>,2|N<3>,5|C<3>}	N[5a,6a,6a](B[3x6a]N[5a,6a,6a]C[5,6a,6a]C[6a])(C[5a,6a,6a]B[3x6a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,2|N<3>,5|C<3>}	105.7610	0.000	1	105.7610	0.000	1	105.7610	0.000	1	109.0960	22.244	2	109.0960	22.244	2	110.0345	8.744	63
811	643	813	0:SP3_SP2_SP2	B[6,6,6a]	C[6a]	N[5,6,6a]	3:3:4:3:	4:3:3:	4:3:4:	N[5,6,6a]-3:N[5,6,6a]-3:C[6,6]-4:C[6a]-3:	B[6,6,6a]-4:C[6a]-3:C[6a]-3:	B[6,6,6a]-4:C[5,6,6a]-3:C[5]-4:	B[6,6,6a](N[5,6,6a]C[5,6,6a]C[5])2(C[6,6]C[6,6]HH)(C[6a]C[6a]2)	C[6a](B[6,6,6a]N[5,6,6a]2C[6,6])(C[6a]C[6a]H)2	N[5,6,6a](B[6,6,6a]N[5,6,6a]C[6,6]C[6a])(C[5,6,6a]B[6,6,6a]O[5])(C[5]C[5]CC)	B[6,6,6a](N[5,6,6a]C[5,6,6a]C[5])2(C[6,6]C[6,6]HH)(C[6a]C[6a]2){1|B<4>,2|O<2>,3|C<3>,3|H<1>,6|C<4>}	C[6a](B[6,6,6a]N[5,6,6a]2C[6,6])(C[6a]C[6a]H)2{3|C<3>,3|C<4>,4|H<1>}	N[5,6,6a](B[6,6,6a]N[5,6,6a]C[6,6]C[6a])(C[5,6,6a]B[6,6,6a]O[5])(C[5]C[5]CC){2|C<4>,4|C<3>,4|H<1>}	114.5487	1.247	4	114.5487	1.555	4	114.5487	1.555	4	114.5487	1.555	4	114.3463	1.831	6	110.0345	8.744	63
811	643	813	0:SP3_SP2_SP2	B[6,6,6a]	C[6a]	N[5,6,6a]	4:3:3:3:	4:3:3:	4:3:4:	C[5,3x6]-4:N[5,6,6a]-3:N[5,6,6a]-3:C[6a]-3:	B[6,6,6a]-4:C[6a]-3:C[6a]-3:	B[6,6,6a]-4:C[5,6,6a]-3:C[5]-4:	B[6,6,6a](C[5,3x6]C[5,3x6]C[5,5,6]H)(N[5,6,6a]C[5,6,6a]C[5])2(C[6a]C[6a]2)	C[6a](B[6,6,6a]N[5,6,6a]2C[5,3x6])(C[6a]C[6a]H)2	N[5,6,6a](B[6,6,6a]N[5,6,6a]C[5,3x6]C[6a])(C[5,6,6a]B[6,6,6a]O[5])(C[5]C[5]CC)	B[6,6,6a](C[5,3x6]C[5,3x6]C[5,5,6]H)(N[5,6,6a]C[5,6,6a]C[5])2(C[6a]C[6a]2){1|B<4>,2|C<3>,2|O<2>,4|H<1>,9|C<4>}	C[6a](B[6,6,6a]N[5,6,6a]2C[5,3x6])(C[6a]C[6a]H)2{3|C<3>,3|H<1>,4|C<4>}	N[5,6,6a](B[6,6,6a]N[5,6,6a]C[5,3x6]C[6a])(C[5,6,6a]B[6,6,6a]O[5])(C[5]C[5]CC){3|C<4>,3|H<1>,4|C<3>}	113.9415	1.999	2	113.9415	3.996	2	113.9415	3.996	2	113.9415	3.996	2	114.3463	1.831	6	110.0345	8.744	63
811	643	813	0:SP3_SP2_SP2	B[6,6,6a]	C[6a]	N[5a,6,6a]	3:3:2:3:	4:3:3:	4:3:3:	C[5a,6,6a]-3:N[5a,6,6a]-3:N[6,6]-2:C[6a]-3:	B[6,6,6a]-4:C[6a]-3:C[6a]-3:	B[6,6,6a]-4:C[5a,6,6a]-3:C[5a]-3:	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(N[6,6]C[6,6])(C[6a]C[6a]2)	C[6a](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]N[6,6])(C[6a]C[6a]H)2	N[5a,6,6a](B[6,6,6a]C[5a,6,6a]N[6,6]C[6a])(C[5a,6,6a]B[6,6,6a]N[5a])(C[5a]C[5a]H)	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(N[6,6]C[6,6])(C[6a]C[6a]2){1|B<4>,1|C<4>,1|N<3>,3|H<1>,6|C<3>}	C[6a](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]N[6,6])(C[6a]C[6a]H)2{2|H<1>,2|N<3>,4|C<3>}	N[5a,6,6a](B[6,6,6a]C[5a,6,6a]N[6,6]C[6a])(C[5a,6,6a]B[6,6,6a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,2|N<3>,4|C<3>}	111.9910	0.000	1	111.9910	0.000	1	111.9910	0.000	1	112.9690	0.730	3	111.4583	6.032	10	110.0345	8.744	63
811	643	813	0:SP3_SP2_SP2	B[6,6,6a]	C[6a]	N[5a,6,6a]	3:3:2:3:	4:3:3:	4:3:3:	C[5a,6,6a]-3:N[5a,6,6a]-3:O[6,6]-2:C[6a]-3:	B[6,6,6a]-4:C[6a]-3:C[6a]-3:	B[6,6,6a]-4:C[5a,6,6a]-3:C[5a]-3:	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(O[6,6]O[6,6])(C[6a]C[6a]2)	C[6a](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]O[6,6])(C[6a]C[6a]H)2	N[5a,6,6a](B[6,6,6a]C[5a,6,6a]O[6,6]C[6a])(C[5a,6,6a]B[6,6,6a]N[5a])(C[5a]C[5a]H)	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(O[6,6]O[6,6])(C[6a]C[6a]2){1|B<4>,1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[6a](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]O[6,6])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,2|N<3>,3|C<3>}	N[5a,6,6a](B[6,6,6a]C[5a,6,6a]O[6,6]C[6a])(C[5a,6,6a]B[6,6,6a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|O<2>,2|N<3>,3|C<3>}	113.4580	0.158	2	113.4580	0.025	2	113.4580	0.025	2	112.9690	0.730	3	111.4583	6.032	10	110.0345	8.744	63
811	643	813	0:SP3_SP2_SP2	B[6,6,6a]	C[6a]	N[5a,6,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5a,6,6a]-3:N[5a,6,6a]-3:C[6,6]-3:C[6a]-3:	B[6,6,6a]-4:C[6a]-3:C[6a]-3:	B[6,6,6a]-4:C[5a,6,6a]-3:C[5a]-3:	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(C[6,6]C[6,6]C)(C[6a]C[6a]2)	C[6a](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6,6])(C[6a]C[6a]H)2	N[5a,6,6a](B[6,6,6a]C[5a,6,6a]C[6,6]C[6a])(C[5a,6,6a]B[6,6,6a]N[5a])(C[5a]C[5a]H)	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(C[6,6]C[6,6]C)(C[6a]C[6a]2){1|B<4>,1|C<4>,1|N<3>,3|H<1>,7|C<3>}	C[6a](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6,6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,2|N<3>,4|C<3>}	N[5a,6,6a](B[6,6,6a]C[5a,6,6a]C[6,6]C[6a])(C[5a,6,6a]B[6,6,6a]N[5a])(C[5a]C[5a]H){1|H<1>,2|C<4>,2|N<3>,4|C<3>}	113.0810	0.457	2	113.0810	0.209	2	110.7587	16.284	3	110.7587	16.284	3	111.4583	6.032	10	110.0345	8.744	63
811	643	813	0:SP3_SP2_SP2	B[6,6,6a]	C[6a]	N[5a,6,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5a,6,6a]-3:N[5a,6,6a]-3:C[6,6]-3:C[6a]-3:	B[6,6,6a]-4:C[6a]-3:C[6a]-3:	B[6,6,6a]-4:C[5a,6,6a]-3:C[5a]-3:	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(C[6,6]N[6,6]C[6a])(C[6a]C[6a]2)	C[6a](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6,6])(C[6a]C[6a]H)2	N[5a,6,6a](B[6,6,6a]C[5a,6,6a]C[6,6]C[6a])(C[5a,6,6a]B[6,6,6a]N[5a])(C[5a]C[5a]H)	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(C[6,6]N[6,6]C[6a])(C[6a]C[6a]2){1|B<4>,1|C<4>,1|N<3>,3|H<1>,7|C<3>}	C[6a](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6,6])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,2|N<3>,4|C<3>}	N[5a,6,6a](B[6,6,6a]C[5a,6,6a]C[6,6]C[6a])(C[5a,6,6a]B[6,6,6a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|N<2>,2|N<3>,4|C<3>}	106.1140	0.000	1	106.1140	0.000	1	110.7587	16.284	3	110.7587	16.284	3	111.4583	6.032	10	110.0345	8.744	63
811	643	813	0:SP3_SP2_SP2	B[6,6,6a]	C[6a]	N[5a,6,6a]	3:3:4:3:	4:3:3:	4:3:3:	C[5a,6,6a]-3:N[5a,6,6a]-3:C[6,6]-4:C[6a]-3:	B[6,6,6a]-4:C[6a]-3:C[6a]-3:	B[6,6,6a]-4:C[5a,6,6a]-3:C[5a]-3:	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(C[6,6]C[6,6]C[6a]2)(C[6a]C[6a]2)	C[6a](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6,6])(C[6a]C[6a]H)2	N[5a,6,6a](B[6,6,6a]C[5a,6,6a]C[6,6]C[6a])(C[5a,6,6a]B[6,6,6a]N[5a])(C[5a]C[5a]H)	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(C[6,6]C[6,6]C[6a]2)(C[6a]C[6a]2){10|C<3>,1|B<4>,1|C<4>,1|N<3>,3|H<1>}	C[6a](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6,6])(C[6a]C[6a]H)2{2|H<1>,2|N<3>,6|C<3>}	N[5a,6,6a](B[6,6,6a]C[5a,6,6a]C[6,6]C[6a])(C[5a,6,6a]B[6,6,6a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,2|N<3>,6|C<3>}	111.7530	0.809	2	111.7530	0.654	2	110.8500	3.487	4	110.8500	3.487	4	111.4583	6.032	10	110.0345	8.744	63
811	643	813	0:SP3_SP2_SP2	B[6,6,6a]	C[6a]	N[5a,6,6a]	3:3:4:3:	4:3:3:	4:3:3:	C[5a,6,6a]-3:N[5a,6,6a]-3:C[6,6]-4:C[6a]-3:	B[6,6,6a]-4:C[6a]-3:C[6a]-3:	B[6,6,6a]-4:C[5a,6,6a]-3:C[5a]-3:	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(C[6,6]C[6,6]C[6a]H)(C[6a]C[6a]2)	C[6a](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6,6])(C[6a]C[6a]H)2	N[5a,6,6a](B[6,6,6a]C[5a,6,6a]C[6,6]C[6a])(C[5a,6,6a]B[6,6,6a]N[5a])(C[5a]C[5a]H)	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(C[6,6]C[6,6]C[6a]H)(C[6a]C[6a]2){1|B<4>,1|C<4>,1|N<3>,5|H<1>,7|C<3>}	C[6a](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6,6])(C[6a]C[6a]H)2{1|C<4>,2|N<3>,3|H<1>,4|C<3>}	N[5a,6,6a](B[6,6,6a]C[5a,6,6a]C[6,6]C[6a])(C[5a,6,6a]B[6,6,6a]N[5a])(C[5a]C[5a]H){2|C<4>,2|H<1>,2|N<3>,4|C<3>}	108.1380	0.000	1	108.1380	0.000	1	110.8500	3.487	4	110.8500	3.487	4	111.4583	6.032	10	110.0345	8.744	63
811	643	813	0:SP3_SP2_SP2	B[6,6,6a]	C[6a]	N[5a,6,6a]	3:3:4:3:	4:3:3:	4:3:3:	C[5a,6,6a]-3:N[5a,6,6a]-3:C[6,6]-4:C[6a]-3:	B[6,6,6a]-4:C[6a]-3:C[6a]-3:	B[6,6,6a]-4:C[5a,6,6a]-3:C[5a]-3:	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(C[6,6]C[6,6]HH)(C[6a]C[6a]2)	C[6a](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6,6])(C[6a]C[6a]H)2	N[5a,6,6a](B[6,6,6a]C[5a,6,6a]C[6,6]C[6a])(C[5a,6,6a]B[6,6,6a]N[5a])(C[5a]C[5a]H)	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(C[6,6]C[6,6]HH)(C[6a]C[6a]2){1|B<4>,1|C<4>,1|N<3>,4|H<1>,6|C<3>}	C[6a](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6,6])(C[6a]C[6a]H)2{1|C<4>,2|N<3>,3|C<3>,4|H<1>}	N[5a,6,6a](B[6,6,6a]C[5a,6,6a]C[6,6]C[6a])(C[5a,6,6a]B[6,6,6a]N[5a])(C[5a]C[5a]H){2|C<4>,2|N<3>,3|C<3>,3|H<1>}	111.7560	0.000	1	111.7560	0.000	1	110.8500	3.487	4	110.8500	3.487	4	111.4583	6.032	10	110.0345	8.744	63
811	643	813	0:SP3_SP2_SP2	B[6,6a]	C[6a,6a]	N[5a,6]	3:3:3:3:	4:3:3:	4:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[5a,6]-3:N[5a,6]-3:	B[6,6a]-4:C[6a,6a]-3:C[6a]-3:	B[6,6a]-4:C[5a,6]-3:C[5a]-3:	B[6,6a](C[6a,6a]C[6a,6a]C[6a])2(N[5a,6]C[5a,6]C[5a])2	C[6a,6a](B[6,6a]C[6a,6a]N[5a,6]2)(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	N[5a,6](B[6,6a]C[6a,6a]2N[5a,6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	B[6,6a](C[6a,6a]C[6a,6a]C[6a])2(N[5a,6]C[5a,6]C[5a])2{1|O<2>,2|C<4>,2|H<1>,9|C<3>}	C[6a,6a](B[6,6a]C[6a,6a]N[5a,6]2)(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	N[5a,6](B[6,6a]C[6a,6a]2N[5a,6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,7|C<3>}	110.7302	0.785	4	110.7825	0.556	8	110.2749	0.930	12	110.2749	0.930	12	110.2749	0.930	12	110.0345	8.744	63
811	643	813	0:SP3_SP2_SP2	B[6,6a]	C[6a,6a]	N[5a,6]	3:3:3:3:	4:3:3:	4:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[5a,6]-3:N[5a,6]-3:	B[6,6a]-4:C[6a,6a]-3:C[6a]-3:	B[6,6a]-4:C[5a,6]-3:C[5a]-3:	B[6,6a](C[6a,6a]C[6a,6a]C[6a])2(N[5a,6]C[5a,6]C[5a])2	C[6a,6a](B[6,6a]C[6a,6a]N[5a,6]2)(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	N[5a,6](B[6,6a]C[6a,6a]2N[5a,6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	B[6,6a](C[6a,6a]C[6a,6a]C[6a])2(N[5a,6]C[5a,6]C[5a])2{1|O<2>,2|C<4>,2|H<1>,9|C<3>}	C[6a,6a](B[6,6a]C[6a,6a]N[5a,6]2)(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	N[5a,6](B[6,6a]C[6a,6a]2N[5a,6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|C<4>,2|H<1>,6|C<3>}	110.8347	0.821	4	110.7825	0.556	8	110.2749	0.930	12	110.2749	0.930	12	110.2749	0.930	12	110.0345	8.744	63
811	643	813	0:SP3_SP2_SP2	B[6,6a]	C[6a,6a]	N[5a,6]	3:3:3:3:	4:3:3:	4:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[5a,6]-3:N[5a,6]-3:	B[6,6a]-4:C[6a,6a]-3:C[6a]-3:	B[6,6a]-4:C[5a,6]-3:C[5a]-3:	B[6,6a](C[6a,6a]C[6a,6a]C[6a])2(N[5a,6]C[5a,6]C[5a])2	C[6a,6a](B[6,6a]C[6a,6a]N[5a,6]2)(C[6a,6a]C[6a]S[6a])(C[6a]C[6a]H)	N[5a,6](B[6,6a]C[6a,6a]2N[5a,6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	B[6,6a](C[6a,6a]C[6a,6a]C[6a])2(N[5a,6]C[5a,6]C[5a])2{1|S<2>,2|C<4>,2|H<1>,9|C<3>}	C[6a,6a](B[6,6a]C[6a,6a]N[5a,6]2)(C[6a,6a]C[6a]S[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	N[5a,6](B[6,6a]C[6a,6a]2N[5a,6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|C<4>,2|H<1>,6|C<3>}	109.2597	0.225	4	109.2597	0.051	4	110.2749	0.930	12	110.2749	0.930	12	110.2749	0.930	12	110.0345	8.744	63
811	643	813	0:SP3_SP2_SP2	B[6a]	C[6a]	N[5,6a]	3:3:3:3:	4:3:3:	3:4:2:	C[6a,6a]-3:N[5,6a]-3:C[6a]-3:C[6a]-3:	B[6a]-4:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:B[6a]-4:S[5]-2:	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a,6a]S[5])(C[6a]C[6a]2)2	C[6a](B[6a]C[6a,6a]N[5,6a]C[6a])(C[6a]C[6a]F)2	N[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(B[6a]C[6a,6a]C[6a]2)(S[5]N[5])	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a,6a]S[5])(C[6a]C[6a]2)2{1|H<1>,1|N<2>,4|F<1>,8|C<3>}	C[6a](B[6a]C[6a,6a]N[5,6a]C[6a])(C[6a]C[6a]F)2{1|S<2>,2|F<1>,6|C<3>}	N[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(B[6a]C[6a,6a]C[6a]2)(S[5]N[5]){8|C<3>}	106.2278	3.181	4	106.2278	10.119	4	106.2278	10.119	4	106.2278	10.119	4	107.5086	6.073	12	110.0345	8.744	63
811	643	813	0:SP3_SP2_SP2	B[6a]	C[6a]	N[5,6a]	3:3:3:3:	4:3:3:	4:3:4:	N[5,6a]-3:N[5,6a]-3:C[6a]-3:C[6a]-3:	B[6a]-4:C[6a]-3:C[6a]-3:	B[6a]-4:C[5,6a]-3:C[5]-4:	B[6a](N[5,6a]C[5,6a]C[5])2(C[6a]C[6a]2)2	C[6a](B[6a]N[5,6a]2C[6a])(C[6a]C[6a]H)2	N[5,6a](B[6a]N[5,6a]C[6a]2)(C[5,6a]B[6a]O[5])(C[5]C[5]CC)	B[6a](N[5,6a]C[5,6a]C[5])2(C[6a]C[6a]2)2{1|B<4>,2|O<2>,4|C<3>,4|H<1>,6|C<4>}	C[6a](B[6a]N[5,6a]2C[6a])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,5|C<3>}	N[5,6a](B[6a]N[5,6a]C[6a]2)(C[5,6a]B[6a]O[5])(C[5]C[5]CC){2|C<4>,2|H<1>,6|C<3>}	108.1490	1.949	8	108.1490	3.800	8	108.1490	3.800	8	108.1490	3.800	8	107.5086	6.073	12	110.0345	8.744	63
811	643	813	0:SP3_SP2_SP2	B[6a]	C[6a]	N[5a,6a]	3:3:3:1:	4:3:3:	4:3:3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:Cl-1:	B[6a]-4:C[6a]-3:C[6a]-3:	B[6a]-4:C[5a,6a]-3:C[5a]-3:	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(Cl)	C[6a](B[6a]C[5a,6a]N[5a,6a]Cl)(C[6a]C[6a]H)2	N[5a,6a](B[6a]C[5a,6a]C[6a]Cl)(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]C[6a])	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(Cl){1|B<4>,1|N<3>,2|H<1>,7|C<3>}	C[6a](B[6a]C[5a,6a]N[5a,6a]Cl)(C[6a]C[6a]H)2{2|H<1>,2|N<3>,3|C<3>}	N[5a,6a](B[6a]C[5a,6a]C[6a]Cl)(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]C[6a]){1|Cl<1>,2|N<3>,7|C<3>}	108.8110	0.000	1	108.8110	0.000	1	109.4485	0.813	2	109.7455	1.736	6	108.7573	2.419	19	110.0345	8.744	63
811	643	813	0:SP3_SP2_SP2	B[6a]	C[6a]	N[5a,6a]	3:3:3:1:	4:3:3:	4:3:3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:Cl-1:	B[6a]-4:C[6a]-3:C[6a]-3:	B[6a]-4:C[5a,6a]-3:C[5a]-3:	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(Cl)	C[6a](B[6a]C[5a,6a]N[5a,6a]Cl)(C[6a]C[6a]H)2	N[5a,6a](B[6a]C[5a,6a]C[6a]Cl)(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]H)	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(Cl){1|B<4>,1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[6a](B[6a]C[5a,6a]N[5a,6a]Cl)(C[6a]C[6a]H)2{2|H<1>,2|N<3>,3|C<3>}	N[5a,6a](B[6a]C[5a,6a]C[6a]Cl)(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]H){1|Cl<1>,1|C<4>,1|H<1>,2|N<3>,3|C<3>}	110.0860	0.000	1	110.0860	0.000	1	109.4485	0.813	2	109.7455	1.736	6	108.7573	2.419	19	110.0345	8.744	63
811	643	813	0:SP3_SP2_SP2	B[6a]	C[6a]	N[5a,6a]	3:3:3:1:	4:3:3:	4:3:3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:H-1:	B[6a]-4:C[6a]-3:C[6a]-3:	B[6a]-4:C[5a,6a]-3:C[5a]-3:	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)	C[6a](B[6a]C[5a,6a]N[5a,6a]H)(C[6a]C[6a]H)2	N[5a,6a](B[6a]C[5a,6a]C[6a]H)(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]H)	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H){1|B<4>,1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[6a](B[6a]C[5a,6a]N[5a,6a]H)(C[6a]C[6a]H)2{2|H<1>,2|N<3>,3|C<3>}	N[5a,6a](B[6a]C[5a,6a]C[6a]H)(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]H){1|B<3>,1|C<4>,1|H<1>,2|N<3>,3|C<3>}	111.1520	0.000	1	111.2615	0.024	2	111.2615	0.024	2	109.7455	1.736	6	108.7573	2.419	19	110.0345	8.744	63
811	643	813	0:SP3_SP2_SP2	B[6a]	C[6a]	N[5a,6a]	3:3:3:1:	4:3:3:	4:3:3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:H-1:	B[6a]-4:C[6a]-3:C[6a]-3:	B[6a]-4:C[5a,6a]-3:C[5a]-3:	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)	C[6a](B[6a]C[5a,6a]N[5a,6a]H)(C[6a]C[6a]H)2	N[5a,6a](B[6a]C[5a,6a]C[6a]H)(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]H)	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H){1|B<4>,1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[6a](B[6a]C[5a,6a]N[5a,6a]H)(C[6a]C[6a]H)2{2|H<1>,2|N<3>,3|C<3>}	N[5a,6a](B[6a]C[5a,6a]C[6a]H)(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|P<3>,2|N<3>,3|C<3>}	111.3710	0.000	1	111.2615	0.024	2	111.2615	0.024	2	109.7455	1.736	6	108.7573	2.419	19	110.0345	8.744	63
811	643	813	0:SP3_SP2_SP2	B[6a]	C[6a]	N[5a,6a]	3:3:3:1:	4:3:3:	4:3:3:	N[5a,6a]-3:N[5a,6a]-3:C[6a]-3:F-1:	B[6a]-4:C[6a]-3:C[6a]-3:	B[6a]-4:C[5a,6a]-3:C[5a]-3:	B[6a](N[5a,6a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(F)	C[6a](B[6a]N[5a,6a]2F)(C[6a]C[6a]H)2	N[5a,6a](B[6a]N[5a,6a]C[6a]F)(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]C[6a])	B[6a](N[5a,6a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(F){1|B<4>,2|H<1>,2|N<3>,6|C<3>}	C[6a](B[6a]N[5a,6a]2F)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	N[5a,6a](B[6a]N[5a,6a]C[6a]F)(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]C[6a]){1|Cl<1>,9|C<3>}	108.5265	0.310	2	108.5265	0.096	2	108.5265	0.096	2	109.7455	1.736	6	108.7573	2.419	19	110.0345	8.744	63
811	643	813	0:SP3_SP2_SP2	B[6a]	C[6a]	N[5a,6a]	3:3:3:2:	4:3:3:	4:3:3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:O-2:	B[6a]-4:C[6a]-3:C[6a]-3:	B[6a]-4:C[5a,6a]-3:C[5a]-3:	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(OB[5])	C[6a](B[6a]C[5a,6a]N[5a,6a]O)(C[6a]C[6a]H)2	N[5a,6a](B[6a]C[5a,6a]C[6a]O)(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]H)	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(OB[5]){1|B<4>,1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[6a](B[6a]C[5a,6a]N[5a,6a]O)(C[6a]C[6a]H)2{2|H<1>,2|N<3>,3|C<3>}	N[5a,6a](B[6a]C[5a,6a]C[6a]O)(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|O<2>,2|N<3>,3|C<3>}	109.5860	0.000	1	109.5860	0.000	1	107.9497	2.490	7	107.9497	2.490	7	108.7573	2.419	19	110.0345	8.744	63
811	643	813	0:SP3_SP2_SP2	B[6a]	C[6a]	N[5a,6a]	3:3:3:2:	4:3:3:	4:3:3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:O-2:	B[6a]-4:C[6a]-3:C[6a]-3:	B[6a]-4:C[5a,6a]-3:C[5a]-3:	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(OB[6a])	C[6a](B[6a]C[5a,6a]N[5a,6a]O)(C[6a]C[6a]H)2	N[5a,6a](B[6a]C[5a,6a]C[6a]O)(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]H)	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(OB[6a]){1|B<4>,1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[6a](B[6a]C[5a,6a]N[5a,6a]O)(C[6a]C[6a]H)2{2|H<1>,2|N<3>,3|C<3>}	N[5a,6a](B[6a]C[5a,6a]C[6a]O)(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|O<2>,2|N<3>,3|C<3>}	106.8110	0.424	4	106.8110	0.180	4	107.9497	2.490	7	107.9497	2.490	7	108.7573	2.419	19	110.0345	8.744	63
811	643	813	0:SP3_SP2_SP2	B[6a]	C[6a]	N[5a,6a]	3:3:3:2:	4:3:3:	4:3:3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:O-2:	B[6a]-4:C[6a]-3:C[6a]-3:	B[6a]-4:C[5a,6a]-3:C[5a]-3:	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(ON[6])	C[6a](B[6a]C[5a,6a]N[5a,6a]O)(C[6a]C[6a]H)2	N[5a,6a](B[6a]C[5a,6a]C[6a]O)(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]H)	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(ON[6]){1|B<4>,1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[6a](B[6a]C[5a,6a]N[5a,6a]O)(C[6a]C[6a]H)2{2|H<1>,2|N<3>,3|C<3>}	N[5a,6a](B[6a]C[5a,6a]C[6a]O)(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|O<2>,2|N<3>,3|C<3>}	109.4090	1.509	2	109.4090	2.277	2	107.9497	2.490	7	107.9497	2.490	7	108.7573	2.419	19	110.0345	8.744	63
811	643	813	0:SP3_SP2_SP2	B[6a]	C[6a]	N[5a,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:B[5]-3:	B[6a]-4:C[6a]-3:C[6a]-3:	B[6a]-4:C[5a,6a]-3:C[5a]-3:	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(B[5]O[5]2)	C[6a](B[6a]C[5a,6a]N[5a,6a]B[5])(C[6a]C[6a]H)2	N[5a,6a](B[6a]C[5a,6a]C[6a]B[5])(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]H)	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(B[5]O[5]2){1|B<4>,1|N<3>,3|C<4>,3|H<1>,5|C<3>}	C[6a](B[6a]C[5a,6a]N[5a,6a]B[5])(C[6a]C[6a]H)2{2|H<1>,2|N<3>,2|O<2>,3|C<3>}	N[5a,6a](B[6a]C[5a,6a]C[6a]B[5])(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]H){1|C<4>,2|H<1>,2|N<3>,2|O<2>,3|C<3>}	107.5120	0.000	1	107.5120	0.000	1	107.5120	0.000	1	108.7113	1.896	6	108.7573	2.419	19	110.0345	8.744	63
811	643	813	0:SP3_SP2_SP2	B[6a]	C[6a]	N[5a,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:P-3:	B[6a]-4:C[6a]-3:C[6a]-3:	B[6a]-4:C[5a,6a]-3:C[5a]-3:	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(PC[6a]2)	C[6a](B[6a]C[5a,6a]N[5a,6a]P)(C[6a]C[6a]H)2	N[5a,6a](B[6a]C[5a,6a]C[6a]P)(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]H)	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(PC[6a]2){1|B<4>,1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[6a](B[6a]C[5a,6a]N[5a,6a]P)(C[6a]C[6a]H)2{2|H<1>,2|N<3>,3|C<3>}	N[5a,6a](B[6a]C[5a,6a]C[6a]P)(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]H){1|C<4>,2|H<1>,2|N<3>,3|C<3>}	110.6610	0.000	1	110.6610	0.000	1	110.6610	0.000	1	108.7113	1.896	6	108.7573	2.419	19	110.0345	8.744	63
811	643	813	0:SP3_SP2_SP2	B[6a]	C[6a]	N[5a,6a]	3:3:3:3:	4:3:3:	4:3:3:	N[5a,6a]-3:N[5a,6a]-3:C[6a]-3:C[6a]-3:	B[6a]-4:C[6a]-3:C[6a]-3:	B[6a]-4:C[5a,6a]-3:C[5a]-3:	B[6a](N[5a,6a]C[5a,6a]C[5a])2(C[6a]C[6a]2)2	C[6a](B[6a]N[5a,6a]2C[6a])(C[6a]C[6a]H)2	N[5a,6a](B[6a]N[5a,6a]C[6a]2)(C[5a,6a]Ge[6a]N[5a])(C[5a]C[5a]H)	B[6a](N[5a,6a]C[5a,6a]C[5a])2(C[6a]C[6a]2)2{1|Ge<3>,2|N<3>,6|C<3>,6|H<1>}	C[6a](B[6a]N[5a,6a]2C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	N[5a,6a](B[6a]N[5a,6a]C[6a]2)(C[5a,6a]Ge[6a]N[5a])(C[5a]C[5a]H){1|Cl<1>,1|C<4>,1|H<1>,6|C<3>}	108.5237	1.169	4	108.5237	1.366	4	108.5237	1.366	4	108.7113	1.896	6	108.7573	2.419	19	110.0345	8.744	63
811	643	813	0:SP3_SP2_SP3	B[3x6a]	C[6a]	N[5a,6a,6a]	3:3:3:3:	4:3:3:	4:3:3:	N[5a,6a,6a]-3:N[5a,6a,6a]-3:C[5,6a,6a]-3:C[6a]-3:	B[3x6a]-4:C[6a]-3:C[6a]-3:	B[3x6a]-4:C[5a,6a,6a]-3:C[5a,6a]-3:	B[3x6a](N[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(N[5a,6a,6a]C[5a,6a,6a]C[5a])(C[5,6a,6a]N[5,6a,6a]N[5])(C[6a]C[6a]2)	C[6a](B[3x6a]N[5a,6a,6a]2C[5,6a,6a])(C[6a]C[6a]H)2	N[5a,6a,6a](B[3x6a]N[5a,6a,6a]C[5,6a,6a]C[6a])(C[5a,6a,6a]B[3x6a]C[5a])(C[5a,6a]C[5a,6a]C[6a])	B[3x6a](N[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(N[5a,6a,6a]C[5a,6a,6a]C[5a])(C[5,6a,6a]N[5,6a,6a]N[5])(C[6a]C[6a]2){1|B<4>,1|C<4>,1|N<3>,3|H<1>,8|C<3>}	C[6a](B[3x6a]N[5a,6a,6a]2C[5,6a,6a])(C[6a]C[6a]H)2{2|H<1>,2|N<3>,5|C<3>}	N[5a,6a,6a](B[3x6a]N[5a,6a,6a]C[5,6a,6a]C[6a])(C[5a,6a,6a]B[3x6a]C[5a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,3|N<3>,7|C<3>}	118.8950	0.000	1	118.8950	0.000	1	118.8950	0.000	1	118.8950	0.000	1	118.8950	0.000	1	118.8950	0.000	1
811	643	813	6:SP3_SP2_SP2	B[3x6a]	C[6a,6a]	N[5,6a,6a]	3:3:3:3:	4:3:2:	4:3:3:	C[5a,6a,6a]-3:N[5,6a,6a]-3:C[6a,6a]-3:C[6a]-3:	B[3x6a]-4:N[6a,6a]-3:C-2:	B[3x6a]-4:C[5,6a,6a]-3:C[5]-3:	B[3x6a](C[5a,6a,6a]N[5a,6a,6a]N[5a])(N[5,6a,6a]C[5,6a,6a]C[5])(C[6a,6a]N[6a,6a]C)(C[6a]C[6a]2)	C[6a,6a](B[3x6a]C[5a,6a,6a]N[5,6a,6a]C[6a])(N[6a,6a]B[3x6a]C[6a])(CN)	N[5,6a,6a](B[3x6a]C[5a,6a,6a]C[6a,6a]C[6a])(C[5,6a,6a]B[3x6a]N[5])(C[5]C[5]H)	B[3x6a](C[5a,6a,6a]N[5a,6a,6a]N[5a])(N[5,6a,6a]C[5,6a,6a]C[5])(C[6a,6a]N[6a,6a]C)(C[6a]C[6a]2){1|B<4>,1|C<4>,1|N<3>,3|H<1>,6|C<3>}	C[6a,6a](B[3x6a]C[5a,6a,6a]N[5,6a,6a]C[6a])(N[6a,6a]B[3x6a]C[6a])(CN){2|N<3>,7|C<3>}	N[5,6a,6a](B[3x6a]C[5a,6a,6a]C[6a,6a]C[6a])(C[5,6a,6a]B[3x6a]N[5])(C[5]C[5]H){1|C<2>,1|C<4>,1|H<1>,3|C<3>,3|N<3>}	101.0240	0.000	1	101.0240	0.000	1	101.0240	0.000	1	101.0240	0.000	1	101.0240	0.000	1	105.3958	1.804	19
811	643	813	6:SP3_SP2_SP2	B[6,6a,6a]	C[3x6a]	N[5,6,6a]	3:3:3:1:	3:4:3:	4:3:3:	N[5,6,6a]-3:N[5,6,6a]-3:C[3x6a]-3:H-1:	C[3x6a]-3:B[6,6a,6a]-4:C[6a]-3:	B[6,6a,6a]-4:N[5,6,6a]-3:C[5]-3:	B[6,6a,6a](N[5,6,6a]N[5,6,6a]C[5])2(C[3x6a]C[3x6a]C[6a])(H)	C[3x6a](C[3x6a]B[6,6a,6a]C[6a])(B[6,6a,6a]N[5,6,6a]2H)(C[6a]C[6a]H)	N[5,6,6a](B[6,6a,6a]N[5,6,6a]C[3x6a]H)(N[5,6,6a]B[6,6a,6a]C[5])(C[5]C[5]H)	B[6,6a,6a](N[5,6,6a]N[5,6,6a]C[5])2(C[3x6a]C[3x6a]C[6a])(H){1|B<4>,3|H<1>,6|C<3>}	C[3x6a](C[3x6a]B[6,6a,6a]C[6a])(B[6,6a,6a]N[5,6,6a]2H)(C[6a]C[6a]H){2|N<3>,3|C<3>,3|H<1>}	N[5,6,6a](B[6,6a,6a]N[5,6,6a]C[3x6a]H)(N[5,6,6a]B[6,6a,6a]C[5])(C[5]C[5]H){1|I<1>,1|N<3>,2|H<1>,3|C<3>}	104.9613	0.926	4	104.9613	0.858	4	104.9613	0.858	4	104.9613	0.858	4	105.2625	0.531	10	105.3958	1.804	19
811	643	813	6:SP3_SP2_SP2	B[6,6a,6a]	C[3x6a]	N[5,6,6a]	3:3:3:1:	4:3:3:	4:3:3:	N[5a,6,6a]-3:N[5,6,6a]-3:C[3x6a]-3:H-1:	B[6,6a,6a]-4:C[3x6a]-3:C[6a]-3:	B[6,6a,6a]-4:N[5,6,6a]-3:C[5]-3:	B[6,6a,6a](N[5a,6,6a]N[5a,6,6a]C[5a])(N[5,6,6a]N[5,6,6a]C[5])(C[3x6a]C[3x6a]C[6a])(H)	C[3x6a](B[6,6a,6a]N[5a,6,6a]N[5,6,6a]H)(C[3x6a]B[6,6a,6a]C[6a])(C[6a]C[6a]H)	N[5,6,6a](B[6,6a,6a]N[5a,6,6a]C[3x6a]H)(N[5,6,6a]B[6,6a,6a]C[5])(C[5]C[5]C)	B[6,6a,6a](N[5a,6,6a]N[5a,6,6a]C[5a])(N[5,6,6a]N[5,6,6a]C[5])(C[3x6a]C[3x6a]C[6a])(H){1|B<4>,1|H<1>,2|C<4>,6|C<3>}	C[3x6a](B[6,6a,6a]N[5a,6,6a]N[5,6,6a]H)(C[3x6a]B[6,6a,6a]C[6a])(C[6a]C[6a]H){2|N<3>,3|C<3>,3|H<1>}	N[5,6,6a](B[6,6a,6a]N[5a,6,6a]C[3x6a]H)(N[5,6,6a]B[6,6a,6a]C[5])(C[5]C[5]C){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	105.4633	0.565	6	105.4633	0.319	6	105.4633	0.319	6	105.4633	0.319	6	105.2625	0.531	10	105.3958	1.804	19
811	643	813	6:SP3_SP2_SP2	B[6,6a,6a]	C[3x6a]	N[5a,6,6a]	3:3:3:1:	4:3:3:	4:3:3:	N[5a,6,6a]-3:N[5,6,6a]-3:C[3x6a]-3:H-1:	B[6,6a,6a]-4:C[3x6a]-3:C[6a]-3:	B[6,6a,6a]-4:N[5a,6,6a]-3:C[5a]-3:	B[6,6a,6a](N[5a,6,6a]N[5a,6,6a]C[5a])(N[5,6,6a]N[5,6,6a]C[5])(C[3x6a]C[3x6a]C[6a])(H)	C[3x6a](B[6,6a,6a]N[5a,6,6a]N[5,6,6a]H)(C[3x6a]B[6,6a,6a]C[6a])(C[6a]C[6a]H)	N[5a,6,6a](B[6,6a,6a]N[5,6,6a]C[3x6a]H)(N[5a,6,6a]B[6,6a,6a]C[5a])(C[5a]C[5a]C)	B[6,6a,6a](N[5a,6,6a]N[5a,6,6a]C[5a])(N[5,6,6a]N[5,6,6a]C[5])(C[3x6a]C[3x6a]C[6a])(H){1|B<4>,1|H<1>,2|C<4>,6|C<3>}	C[3x6a](B[6,6a,6a]N[5a,6,6a]N[5,6,6a]H)(C[3x6a]B[6,6a,6a]C[6a])(C[6a]C[6a]H){2|N<3>,3|C<3>,3|H<1>}	N[5a,6,6a](B[6,6a,6a]N[5,6,6a]C[3x6a]H)(N[5a,6,6a]B[6,6a,6a]C[5a])(C[5a]C[5a]C){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	105.7645	0.540	6	105.7645	0.292	6	105.7645	0.292	6	105.7645	0.292	6	105.7645	0.292	6	105.3958	1.804	19
811	643	813	6:SP3_SP2_SP2	B[6a]	C[6a,6a]	N[5,6a]	3:3:3:3:	3:4:3:	3:4:2:	C[6a,6a]-3:N[5,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:B[6a]-4:C[6a]-3:	C[5,6a,6a]-3:B[6a]-4:S[5]-2:	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a,6a]S[5])(C[6a]C[6a]2)2	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]N[5,6a]C[6a]2)(C[6a]C[5,6a]H)	N[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(B[6a]C[6a,6a]C[6a]2)(S[5]N[5])	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a,6a]S[5])(C[6a]C[6a]2)2{1|H<1>,1|N<2>,4|F<1>,8|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]N[5,6a]C[6a]2)(C[6a]C[5,6a]H){1|H<1>,1|S<2>,8|C<3>}	N[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(B[6a]C[6a,6a]C[6a]2)(S[5]N[5]){8|C<3>}	107.1420	0.208	2	107.1420	0.043	2	107.1420	0.043	2	107.1420	0.043	2	107.1420	0.043	2	105.3958	1.804	19