999	474	478	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[4,5,5]	4:4:1:1:	4:4:1:1:	4:4:4:2:	C[4,5,5]-4:C[5,5]-4:H-1:H-1:	C[4,5,5]-4:N[5,5]-4:H-1:H-1:	C[4,5]-4:C[4,5]-4:N[5,5]-4:C-2:	N[5,5](C[4,5,5]C[4,5]2C)(C[5,5]C[4,5,5]HH)(H)2	C[5,5](C[4,5,5]C[4,5]2H)(N[5,5]C[4,5,5]HH)(H)2	C[4,5,5](C[4,5]C[4,5,5]HH)2(N[5,5]C[5,5]HH)(CC)	N[5,5](C[4,5,5]C[4,5]2C)(C[5,5]C[4,5,5]HH)(H)2{5|H<1>}	C[5,5](C[4,5,5]C[4,5]2H)(N[5,5]C[4,5,5]HH)(H)2{1|C<2>,4|H<1>}	C[4,5,5](C[4,5]C[4,5,5]HH)2(N[5,5]C[5,5]HH)(CC){3|H<1>}	100.9310	0.000	1	100.9310	0.000	1	100.9310	0.000	1	100.9310	0.000	1	101.0460	0.571	6	101.9226	5.854	7
999	474	478	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[4,5,5]	4:4:1:1:	4:4:1:1:	4:4:4:4:	C[4,5,5]-4:C[5,5]-4:H-1:H-1:	C[4,5,5]-4:N[5,5]-4:H-1:H-1:	C[4,5]-4:C[4,5]-4:N[5,5]-4:C-4:	N[5,5](C[4,5,5]C[4,5]2C)(C[5,5]C[4,5,5]HH)(H)2	C[5,5](C[4,5,5]C[4,5]2H)(N[5,5]C[4,5,5]HH)(H)2	C[4,5,5](C[4,5]C[4,5,5]HH)2(N[5,5]C[5,5]HH)(CCHH)	N[5,5](C[4,5,5]C[4,5]2C)(C[5,5]C[4,5,5]HH)(H)2{5|H<1>}	C[5,5](C[4,5,5]C[4,5]2H)(N[5,5]C[4,5,5]HH)(H)2{1|C<4>,4|H<1>}	C[4,5,5](C[4,5]C[4,5,5]HH)2(N[5,5]C[5,5]HH)(CCHH){3|H<1>}	102.0950	0.000	1	102.0950	0.000	1	101.0690	0.709	5	101.0690	0.709	5	101.0460	0.571	6	101.9226	5.854	7
999	474	478	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[4,5,5]	4:4:1:1:	4:4:1:1:	4:4:4:4:	C[4,5,5]-4:C[5,5]-4:H-1:H-1:	C[4,5,5]-4:N[5,5]-4:H-1:H-1:	C[4,5]-4:C[4,5]-4:N[5,5]-4:C-4:	N[5,5](C[4,5,5]C[4,5]2C)(C[5,5]C[4,5,5]HH)(H)2	C[5,5](C[4,5,5]C[4,5]2H)(N[5,5]C[4,5,5]HH)(H)2	C[4,5,5](C[4,5]C[4,5,5]HH)2(N[5,5]C[5,5]HH)(CF3)	N[5,5](C[4,5,5]C[4,5]2C)(C[5,5]C[4,5,5]HH)(H)2{5|H<1>}	C[5,5](C[4,5,5]C[4,5]2H)(N[5,5]C[4,5,5]HH)(H)2{1|C<4>,4|H<1>}	C[4,5,5](C[4,5]C[4,5,5]HH)2(N[5,5]C[5,5]HH)(CF3){3|H<1>}	99.9031	0.000	1	99.9031	0.000	1	101.0690	0.709	5	101.0690	0.709	5	101.0460	0.571	6	101.9226	5.854	7
999	474	478	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[4,5,5]	4:4:1:1:	4:4:1:1:	4:4:4:4:	C[4,5,5]-4:C[5,5]-4:H-1:H-1:	C[4,5,5]-4:N[5,5]-4:H-1:H-1:	C[4,5]-4:C[4,5]-4:N[5,5]-4:C-4:	N[5,5](C[4,5,5]C[4,5]2C)(C[5,5]C[4,5,5]HH)(H)2	C[5,5](C[4,5,5]C[4,5]2H)(N[5,5]C[4,5,5]HH)(H)2	C[4,5,5](C[4,5]C[4,5,5]HH)2(N[5,5]C[5,5]HH)(CFFH)	N[5,5](C[4,5,5]C[4,5]2C)(C[5,5]C[4,5,5]HH)(H)2{5|H<1>}	C[5,5](C[4,5,5]C[4,5]2H)(N[5,5]C[4,5,5]HH)(H)2{1|C<4>,4|H<1>}	C[4,5,5](C[4,5]C[4,5,5]HH)2(N[5,5]C[5,5]HH)(CFFH){3|H<1>}	100.6090	0.000	1	100.6090	0.000	1	101.0690	0.709	5	101.0690	0.709	5	101.0460	0.571	6	101.9226	5.854	7
999	474	478	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[4,5,5]	4:4:1:1:	4:4:1:1:	4:4:4:4:	C[4,5,5]-4:C[5,5]-4:H-1:H-1:	C[4,5,5]-4:N[5,5]-4:H-1:H-1:	C[4,5]-4:C[4,5]-4:N[5,5]-4:C-4:	N[5,5](C[4,5,5]C[4,5]2C)(C[5,5]C[4,5,5]HH)(H)2	C[5,5](C[4,5,5]C[4,5]2H)(N[5,5]C[4,5,5]HH)(H)2	C[4,5,5](C[4,5]C[4,5,5]HH)2(N[5,5]C[5,5]HH)(CFHH)	N[5,5](C[4,5,5]C[4,5]2C)(C[5,5]C[4,5,5]HH)(H)2{5|H<1>}	C[5,5](C[4,5,5]C[4,5]2H)(N[5,5]C[4,5,5]HH)(H)2{1|C<4>,4|H<1>}	C[4,5,5](C[4,5]C[4,5,5]HH)2(N[5,5]C[5,5]HH)(CFHH){3|H<1>}	101.3690	0.185	2	101.3690	0.034	2	101.0690	0.709	5	101.0690	0.709	5	101.0460	0.571	6	101.9226	5.854	7
999	474	478	5:SP3_SP3_SP3	N[5]	C[5]	C[4,5]	4:4:1:1:	4:4:1:1:	4:3:4:4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[4,5]-4:C[6a]-3:C[4]-4:N[5]-4:	N[5](C[4,5]C[4,5]C[6a]C[4])(C[5]C[5]HH)(H)2	C[5](C[5]C[4,5]HH)(N[5]C[4,5]HH)(H)2	C[4,5](C[4,5]C[4]C[5]H)(C[6a]C[6a]2)(C[4]C[4]HH)(N[5]C[5]HH)	N[5](C[4,5]C[4,5]C[6a]C[4])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,5|H<1>}	C[5](C[5]C[4,5]HH)(N[5]C[4,5]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[4,5](C[4,5]C[4]C[5]H)(C[6a]C[6a]2)(C[4]C[4]HH)(N[5]C[5]HH){2|C<3>,8|H<1>}	107.1820	0.000	1	107.1820	0.000	1	107.1820	0.000	1	107.1820	0.000	1	107.1820	0.000	1	101.9226	5.854	7
999	474	486	5:SP3_SP3_SP3	N[5]	C[5]	C[3,5]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[3,5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[3,5]-4:C[3]-4:N[5]-4:C-4:	N[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HH)(CC[6a]HH)(H)	C[5](C[5]C[3,5]C[6a]H)(N[5]C[3,5]CH)(H)2	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]CH)(N[5]C[5]CH)(CH3)	N[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HH)(CC[6a]HH)(H){1|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[3,5]C[6a]H)(N[5]C[3,5]CH)(H)2{2|C<3>,3|C<4>}	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]CH)(N[5]C[5]CH)(CH3){1|C<3>,3|H<1>}	108.2010	0.000	1	108.2010	0.000	1	108.2010	0.000	1	108.2010	0.000	1	108.2010	0.000	1	108.2010	0.000	1
999	474	490	0:SP3_SP3_SP3	N[3x5,6]	C[5,5,6]	C	4:4:4:4:	4:4:4:1:	4:3:1:1:	B[3x5]-4:C[5,5,6]-4:C[5,5,6]-4:C-4:	N[3x5,6]-4:C[5,6]-4:C[5]-4:H-1:	N[3x5,6]-4:C[6a]-3:H-1:H-1:	N[3x5,6](B[3x5]C[5,5,6]O[5]2)(C[5,5,6]C[5,6]C[5]H)2(CC[6a]HH)	C[5,5,6](N[3x5,6]C[5,5,6]B[3x5]C)(C[5,6]C[5,5,6]HH)(C[5]C[5]HH)(H)	C(N[3x5,6]C[5,5,6]2B[3x5])(C[6a]C[6a]2)(H)2	N[3x5,6](B[3x5]C[5,5,6]O[5]2)(C[5,5,6]C[5,6]C[5]H)2(CC[6a]HH){1|C<3>,1|S<2>,2|C<4>,7|H<1>}	C[5,5,6](N[3x5,6]C[5,5,6]B[3x5]C)(C[5,6]C[5,5,6]HH)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C(N[3x5,6]C[5,5,6]2B[3x5])(C[6a]C[6a]2)(H)2	116.0420	0.000	1	116.0420	0.000	1	116.1145	0.011	2	116.1145	0.011	2	116.1145	0.011	2	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[3x5,6]	C[5,5,6]	C	4:4:4:4:	4:4:4:1:	4:3:1:1:	B[3x5]-4:C[5,5,6]-4:C[5,5,6]-4:C-4:	N[3x5,6]-4:C[5,6]-4:C[5]-4:H-1:	N[3x5,6]-4:C[6a]-3:H-1:H-1:	N[3x5,6](B[3x5]C[5,5,6]O[5]2)(C[5,5,6]C[5,6]C[5]H)2(CC[6a]HH)	C[5,5,6](N[3x5,6]C[5,5,6]B[3x5]C)(C[5,6]C[5,5,6]HS)(C[5]C[5]HH)(H)	C(N[3x5,6]C[5,5,6]2B[3x5])(C[6a]C[6a]2)(H)2	N[3x5,6](B[3x5]C[5,5,6]O[5]2)(C[5,5,6]C[5,6]C[5]H)2(CC[6a]HH){1|C<3>,1|S<2>,2|C<4>,7|H<1>}	C[5,5,6](N[3x5,6]C[5,5,6]B[3x5]C)(C[5,6]C[5,5,6]HS)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C(N[3x5,6]C[5,5,6]2B[3x5])(C[6a]C[6a]2)(H)2	116.1870	0.000	1	116.1870	0.000	1	116.1145	0.011	2	116.1145	0.011	2	116.1145	0.011	2	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5,5,6]	C[5,5,6]	C	4:3:2:4:	4:4:3:1:	4:4:4:4:	C[5,5,6]-4:Ge[5,5,6]-3:Ge[5]-2:C-4:	C[5,5,6]-4:N[5,5,6]-4:C[5,6a]-3:H-1:	N[5,5,6]-4:C-4:C-4:C-4:	N[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(Ge[5,5,6]C[5,6,6a]N[5,5])(Ge[5]C[5,6a])(CC3)	C[5,5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(N[5,5,6]Ge[5,5,6]Ge[5]C)(C[5,6a]C[5,6a]C[6a])(H)	C(N[5,5,6]Ge[5,5,6]C[5,5,6]Ge[5])(CH3)3	N[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(Ge[5,5,6]C[5,6,6a]N[5,5])(Ge[5]C[5,6a])(CC3){1|C<4>,1|H<1>,4|C<3>}	C[5,5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(N[5,5,6]Ge[5,5,6]Ge[5]C)(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,1|H<1>,4|C<3>}	C(N[5,5,6]Ge[5,5,6]C[5,5,6]Ge[5])(CH3)3	116.9810	0.000	1	116.9810	0.000	1	116.9810	0.000	1	116.9810	0.000	1	116.9810	0.000	1	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5,5,6]	C[5,5]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,5]-4:C[5,6]-4:Ga[5,6]-4:C-4:	N[5,5,6]-4:N[5,5,6]-4:H-1:H-1:	N[5,5,6]-4:H-1:H-1:H-1:	N[5,5,6](C[5,5]N[5,5,6]HH)(C[5,6]Ga[5,6]HH)(Ga[5,6]C[5,6]CC)(CH3)	C[5,5](N[5,5,6]Ga[5,6]C[5,6]C)2(H)2	C(N[5,5,6]Ga[5,6]C[5,5]C[5,6])(H)3	N[5,5,6](C[5,5]N[5,5,6]HH)(C[5,6]Ga[5,6]HH)(Ga[5,6]C[5,6]CC)(CH3){2|H<1>,3|C<4>}	C[5,5](N[5,5,6]Ga[5,6]C[5,6]C)2(H)2{4|C<4>,4|H<1>}	C(N[5,5,6]Ga[5,6]C[5,5]C[5,6])(H)3	110.1230	0.000	1	110.1230	0.000	1	110.1230	0.000	1	110.1230	0.000	1	110.1230	0.000	1	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5,5,6]	C[5,6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,5]-4:C[5,6]-4:Ga[5,6]-4:C-4:	N[5,5,6]-4:Ga[5,6]-4:H-1:H-1:	N[5,5,6]-4:H-1:H-1:H-1:	N[5,5,6](C[5,5]N[5,5,6]HH)(C[5,6]Ga[5,6]HH)(Ga[5,6]C[5,6]CC)(CH3)	C[5,6](N[5,5,6]Ga[5,6]C[5,5]C)(Ga[5,6]N[5,5,6]CC)(H)2	C(N[5,5,6]Ga[5,6]C[5,5]C[5,6])(H)3	N[5,5,6](C[5,5]N[5,5,6]HH)(C[5,6]Ga[5,6]HH)(Ga[5,6]C[5,6]CC)(CH3){2|H<1>,3|C<4>}	C[5,6](N[5,5,6]Ga[5,6]C[5,5]C)(Ga[5,6]N[5,5,6]CC)(H)2{2|H<1>,4|C<4>}	C(N[5,5,6]Ga[5,6]C[5,5]C[5,6])(H)3	111.9290	0.000	1	111.9290	0.000	1	111.9290	0.000	1	111.9290	0.000	1	111.9290	0.000	1	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5,5]	C[5,5,6]	C	4:4:4:1:	4:4:4:1:	4:3:4:1:	C[5,5,6]-4:C[5,5,6]-4:C-4:H-1:	N[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	N[5,5]-4:C[6a]-3:C-4:H-1:	N[5,5](C[5,5,6]C[5,6]2H)2(CC[6a]CH)(H)	C[5,5,6](N[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)2(H)	C(N[5,5]C[5,5,6]2H)(C[6a]C[6a]2)(CH3)(H)	N[5,5](C[5,5,6]C[5,6]2H)2(CC[6a]CH)(H){8|H<1>}	C[5,5,6](N[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)2(H){5|H<1>}	C(N[5,5]C[5,5,6]2H)(C[6a]C[6a]2)(CH3)(H)	117.9775	0.894	2	117.9775	0.800	2	117.9775	0.800	2	117.9775	0.800	2	117.9988	0.310	4	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5,5]	C[5,5,6]	C	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[5,5,6]-4:C[5,5,6]-4:C-4:H-1:	N[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	N[5,5]-4:C-4:C-4:H-1:	N[5,5](C[5,5,6]C[5,6]2H)2(CCCH)(H)	C[5,5,6](N[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)2(H)	C(N[5,5]C[5,5,6]2H)(CH3)2(H)	N[5,5](C[5,5,6]C[5,6]2H)2(CCCH)(H){8|H<1>}	C[5,5,6](N[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)2(H){5|H<1>}	C(N[5,5]C[5,5,6]2H)(CH3)2(H)	118.0200	0.359	2	118.0200	0.129	2	118.0200	0.129	2	118.0200	0.129	2	117.9988	0.310	4	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5,5]	C[5,5]	C	4:4:4:4:	4:4:4:1:	4:3:1:1:	C[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C[5]-4:C[5]-4:H-1:	N[5,5]-4:C[6a]-3:H-1:H-1:	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH)	C[5,5](N[5,5]C[5]2C)(C[5]C[5]CC)(C[5]C[5]HH)(H)	C(N[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(H)2	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH){1|C<3>,3|C<4>,4|H<1>}	C[5,5](N[5,5]C[5]2C)(C[5]C[5]CC)(C[5]C[5]HH)(H){3|C<4>,5|H<1>}	C(N[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(H)2	113.2240	0.000	1	113.2240	0.000	1	113.2240	0.000	1	113.2240	0.000	1	111.8675	3.680	2	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5,5]	C[5,5]	C	4:4:4:4:	4:4:4:1:	4:3:4:1:	C[5,5]-4:C[5]-4:C[5]-4:C-4:	C[5,5]-4:N[5,5]-4:C[5]-4:H-1:	N[5,5]-4:C[6a]-3:C-4:H-1:	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]CH)(C[5]C[5]HH)(CC[6a]CH)	C[5,5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5]2C)(C[5]C[5]HI)(H)	C(N[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(CH3)(H)	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]CH)(C[5]C[5]HH)(CC[6a]CH){1|I<1>,2|O<2>,5|H<1>}	C[5,5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5]2C)(C[5]C[5]HI)(H){1|O<2>,2|C<4>,6|H<1>}	C(N[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(CH3)(H)	110.5110	0.000	1	110.5110	0.000	1	110.5110	0.000	1	110.5110	0.000	1	111.8675	3.680	2	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5,5]	C[5]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	Ge[3x5]-3:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:H-1:H-1:H-1:	N[5,5](Ge[3x5]N[5,5]2)(C[5]C[5]HH)2(CH3)	C[5](N[5,5]Ge[3x5]C[5]C)(C[5]N[5,5]HH)(H)2	C(N[5,5]Ge[3x5]C[5]2)(H)3	N[5,5](Ge[3x5]N[5,5]2)(C[5]C[5]HH)2(CH3){4|C<4>,4|H<1>}	C[5](N[5,5]Ge[3x5]C[5]C)(C[5]N[5,5]HH)(H)2{1|N<4>,2|H<1>,3|C<4>}	C(N[5,5]Ge[3x5]C[5]2)(H)3	109.9268	0.536	6	109.9268	0.287	6	109.9268	0.287	6	109.9268	0.287	6	111.2499	1.648	183	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5,5]	C[5]	C	4:4:4:4:	3:4:1:1:	4:4:1:1:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	C[5,6a]-3:N[5,5]-4:H-1:H-1:	N[5,5]-4:C-4:H-1:H-1:	N[5,5](B[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5]HH)(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]B[5,5]C[5]C)(H)2	C(N[5,5]B[5,5]C[5]2)(CCHH)(H)2	N[5,5](B[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5]HH)(CCHH){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]B[5,5]C[5]C)(H)2{2|C<3>,2|C<4>,4|H<1>}	C(N[5,5]B[5,5]C[5]2)(CCHH)(H)2	110.1740	0.000	1	111.8545	5.648	2	111.8545	5.648	2	111.8545	5.648	2	111.2499	1.648	183	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5,5]	C[5]	C	4:4:4:4:	3:4:1:1:	4:4:1:1:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	C[5,6a]-3:N[5,5]-4:H-1:H-1:	N[5,5]-4:C-4:H-1:H-1:	N[5,5](B[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5]HH)(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]B[5,5]C[5]C)(H)2	C(N[5,5]B[5,5]C[5]2)(CCHH)(H)2	N[5,5](B[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5]HH)(CCHH){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]B[5,5]C[5]C)(H)2{2|C<3>,2|C<4>,4|H<1>}	C(N[5,5]B[5,5]C[5]2)(CCHH)(H)2	113.5350	0.000	1	111.8545	5.648	2	111.8545	5.648	2	111.8545	5.648	2	111.2499	1.648	183	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5,5]	C[5]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C[5]-3:H-1:H-1:	N[5,5]-4:H-1:H-1:H-1:	N[5,5](B[5,5]C[3]O[5]2)(C[5]C[5]HH)2(CH3)	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2	C(N[5,5]B[5,5]C[5]2)(H)3	N[5,5](B[5,5]C[3]O[5]2)(C[5]C[5]HH)2(CH3){1|H<1>,2|C<4>,2|O<1>}	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(N[5,5]B[5,5]C[5]2)(H)3	110.9601	1.003	8	110.9601	1.005	8	111.3719	1.389	106	111.3719	1.389	106	111.2499	1.648	183	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5,5]	C[5]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C[5]-3:H-1:H-1:	N[5,5]-4:H-1:H-1:H-1:	N[5,5](B[5,5]C[5]O[5]2)(C[5]C[5]HH)2(CH3)	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2	C(N[5,5]B[5,5]C[5]2)(H)3	N[5,5](B[5,5]C[5]O[5]2)(C[5]C[5]HH)2(CH3){1|C<4>,1|H<1>,1|O<2>,2|O<1>}	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(N[5,5]B[5,5]C[5]2)(H)3	111.6913	1.892	6	111.6913	3.581	6	111.3719	1.389	106	111.3719	1.389	106	111.2499	1.648	183	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5,5]	C[5]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C[5]-3:H-1:H-1:	N[5,5]-4:H-1:H-1:H-1:	N[5,5](B[5,5]C[5a]O[5]2)(C[5]C[5]HH)2(CH3)	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2	C(N[5,5]B[5,5]C[5]2)(H)3	N[5,5](B[5,5]C[5a]O[5]2)(C[5]C[5]HH)2(CH3){1|C<3>,1|N<2>,2|O<1>}	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2{1|O<2>,2|C<3>,2|H<1>}	C(N[5,5]B[5,5]C[5]2)(H)3	111.6830	1.169	6	111.3183	0.737	18	111.3719	1.389	106	111.3719	1.389	106	111.2499	1.648	183	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5,5]	C[5]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C[5]-3:H-1:H-1:	N[5,5]-4:H-1:H-1:H-1:	N[5,5](B[5,5]C[5a]O[5]2)(C[5]C[5]HH)2(CH3)	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2	C(N[5,5]B[5,5]C[5]2)(H)3	N[5,5](B[5,5]C[5a]O[5]2)(C[5]C[5]HH)2(CH3){1|C<3>,1|S<2>,2|O<1>}	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2{1|O<2>,2|C<3>,2|H<1>}	C(N[5,5]B[5,5]C[5]2)(H)3	111.2084	0.658	10	111.3183	0.737	18	111.3719	1.389	106	111.3719	1.389	106	111.2499	1.648	183	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5,5]	C[5]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C[5]-3:H-1:H-1:	N[5,5]-4:H-1:H-1:H-1:	N[5,5](B[5,5]C[5a]O[5]2)(C[5]C[5]HH)2(CH3)	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2	C(N[5,5]B[5,5]C[5]2)(H)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>}	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2{1|O<2>,2|C<3>,2|H<1>}	C(N[5,5]B[5,5]C[5]2)(H)3	110.7735	0.528	2	111.3183	0.737	18	111.3719	1.389	106	111.3719	1.389	106	111.2499	1.648	183	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5,5]	C[5]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C[5]-3:H-1:H-1:	N[5,5]-4:H-1:H-1:H-1:	N[5,5](B[5,5]C[6]O[5]2)(C[5]C[5]HH)2(CH3)	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2	C(N[5,5]B[5,5]C[5]2)(H)3	N[5,5](B[5,5]C[6]O[5]2)(C[5]C[5]HH)2(CH3){1|C<4>,1|H<1>,1|O<2>,2|O<1>}	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(N[5,5]B[5,5]C[5]2)(H)3	111.7175	1.767	2	111.7175	3.123	2	111.3719	1.389	106	111.3719	1.389	106	111.2499	1.648	183	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5,5]	C[5]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C[5]-3:H-1:H-1:	N[5,5]-4:H-1:H-1:H-1:	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(CH3)	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2	C(N[5,5]B[5,5]C[5]2)(H)3	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(CH3){1|C<3>,1|N<2>,2|O<1>}	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2{1|O<2>,2|C<3>,2|H<1>}	C(N[5,5]B[5,5]C[5]2)(H)3	111.3600	1.411	4	111.3676	1.147	20	111.3719	1.389	106	111.3719	1.389	106	111.2499	1.648	183	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5,5]	C[5]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C[5]-3:H-1:H-1:	N[5,5]-4:H-1:H-1:H-1:	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(CH3)	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2	C(N[5,5]B[5,5]C[5]2)(H)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>}	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2{1|O<2>,2|C<3>,2|H<1>}	C(N[5,5]B[5,5]C[5]2)(H)3	111.3694	1.027	16	111.3676	1.147	20	111.3719	1.389	106	111.3719	1.389	106	111.2499	1.648	183	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5,5]	C[5]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C[5]-3:H-1:H-1:	N[5,5]-4:H-1:H-1:H-1:	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3)	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2	C(N[5,5]B[5,5]C[5]2)(H)3	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3){2|O<1>}	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2{1|C<2>,1|C<3>,1|O<2>,2|H<1>}	C(N[5,5]B[5,5]C[5]2)(H)3	112.0738	1.484	10	111.4281	1.610	48	111.3719	1.389	106	111.3719	1.389	106	111.2499	1.648	183	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5,5]	C[5]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C[5]-3:H-1:H-1:	N[5,5]-4:H-1:H-1:H-1:	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3)	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2	C(N[5,5]B[5,5]C[5]2)(H)3	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3){2|O<1>}	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(N[5,5]B[5,5]C[5]2)(H)3	111.0348	1.188	16	111.4281	1.610	48	111.3719	1.389	106	111.3719	1.389	106	111.2499	1.648	183	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5,5]	C[5]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C[5]-3:H-1:H-1:	N[5,5]-4:H-1:H-1:H-1:	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3)	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2	C(N[5,5]B[5,5]C[5]2)(H)3	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3){2|O<1>}	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2{1|O<2>,2|C<3>,2|H<1>}	C(N[5,5]B[5,5]C[5]2)(H)3	111.4208	1.155	22	111.4281	1.610	48	111.3719	1.389	106	111.3719	1.389	106	111.2499	1.648	183	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5,5]	C[5]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C[5]-3:H-1:H-1:	N[5,5]-4:H-1:H-1:H-1:	N[5,5](B[5,5]O[5]2O)(C[5]C[5]HH)2(CH3)	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2	C(N[5,5]B[5,5]C[5]2)(H)3	N[5,5](B[5,5]O[5]2O)(C[5]C[5]HH)2(CH3){2|O<1>}	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2{1|C<3>,2|H<1>,2|O<2>}	C(N[5,5]B[5,5]C[5]2)(H)3	111.1317	1.312	4	111.1317	1.721	4	111.3719	1.389	106	111.3719	1.389	106	111.2499	1.648	183	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5,5]	C[5]	C	4:4:4:4:	4:3:1:1:	4:4:1:1:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C[5]-3:H-1:H-1:	N[5,5]-4:C-4:H-1:H-1:	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(CCHH)	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2	C(N[5,5]B[5,5]C[5]2)(CCHH)(H)2	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(CCHH){2|C<3>,2|O<1>}	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2{1|O<2>,2|C<3>,2|H<1>}	C(N[5,5]B[5,5]C[5]2)(CCHH)(H)2	112.5465	1.029	2	112.5465	1.059	2	112.5465	1.059	2	112.5465	1.059	2	111.2499	1.648	183	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5,5]	C[5]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:H-1:H-1:H-1:	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(CH3)	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]HH)(H)2	C(N[5,5]B[5,5]C[5]2)(H)3	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(CH3){1|C<3>,1|N<2>,4|H<1>}	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(N[5,5]B[5,5]C[5]2)(H)3	110.6380	0.414	2	110.6915	1.449	4	110.6915	1.449	4	111.6147	1.637	9	111.2499	1.648	183	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5,5]	C[5]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:H-1:H-1:H-1:	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(CH3)	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]HH)(H)2	C(N[5,5]B[5,5]C[5]2)(H)3	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(CH3){2|C<3>,4|H<1>}	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(N[5,5]B[5,5]C[5]2)(H)3	110.7450	2.041	2	110.6915	1.449	4	110.6915	1.449	4	111.6147	1.637	9	111.2499	1.648	183	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5,5]	C[5]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	Ge[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:H-1:H-1:H-1:	N[5,5](Ge[5,5]O[5]2Pd)(C[5]C[5]HH)2(CH3)	C[5](N[5,5]Ge[5,5]C[5]C)(C[5]C[6a]2O[5])(H)2	C(N[5,5]Ge[5,5]C[5]2)(H)3	N[5,5](Ge[5,5]O[5]2Pd)(C[5]C[5]HH)2(CH3){2|C<3>,2|H<1>}	C[5](N[5,5]Ge[5,5]C[5]C)(C[5]C[6a]2O[5])(H)2{1|Pd<4>,1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C(N[5,5]Ge[5,5]C[5]2)(H)3	112.8930	0.401	3	112.8930	0.161	3	112.3532	0.654	5	111.6147	1.637	9	111.2499	1.648	183	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5,5]	C[5]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	Ge[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:H-1:H-1:H-1:	N[5,5](Ge[5,5]O[5]2Pd)(C[5]C[5]HH)2(CH3)	C[5](N[5,5]Ge[5,5]C[5]C)(C[5]O[5]HH)(H)2	C(N[5,5]Ge[5,5]C[5]2)(H)3	N[5,5](Ge[5,5]O[5]2Pd)(C[5]C[5]HH)2(CH3){2|C<3>,2|H<1>}	C[5](N[5,5]Ge[5,5]C[5]C)(C[5]O[5]HH)(H)2{1|Pd<4>,1|C<4>,1|O<2>,2|H<1>}	C(N[5,5]Ge[5,5]C[5]2)(H)3	111.5435	0.329	2	111.5435	0.108	2	112.3532	0.654	5	111.6147	1.637	9	111.2499	1.648	183	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5,5]	C[5]	C	4:4:4:4:	4:4:1:1:	4:3:1:1:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:C[6a]-3:H-1:H-1:	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CC[6a]HH)	C[5](N[5,5]B[5,5]C[5]C)(C[5]C[6a]O[5]H)(H)2	C(N[5,5]B[5,5]C[5]2)(C[6a]C[6a]2)(H)2	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CC[6a]HH){2|C<3>,2|H<1>}	C[5](N[5,5]B[5,5]C[5]C)(C[5]C[6a]O[5]H)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C(N[5,5]B[5,5]C[5]2)(C[6a]C[6a]2)(H)2	112.2370	0.459	6	112.2370	0.210	6	112.2370	0.210	6	112.2311	0.176	7	111.2499	1.648	183	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5,5]	C[5]	C	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:C[6a]-3:H-1:H-1:	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH)	C[5](N[5,5]C[5,5]C[5]C)(C[5]C[5]CH)(H)2	C(N[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(H)2	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH){1|C<3>,3|C<4>,4|H<1>}	C[5](N[5,5]C[5,5]C[5]C)(C[5]C[5]CH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C(N[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(H)2	112.1960	0.000	1	112.1960	0.000	1	112.1960	0.000	1	112.2311	0.176	7	111.2499	1.648	183	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5,5]	C[5]	C	4:4:4:4:	4:4:1:1:	4:3:4:1:	C[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:C[6a]-3:C-4:H-1:	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]CH)(C[5]C[5]HH)(CC[6a]CH)	C[5](N[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2	C(N[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(CH3)(H)	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]CH)(C[5]C[5]HH)(CC[6a]CH){1|I<1>,2|O<2>,5|H<1>}	C[5](N[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2{1|I<1>,3|C<4>,3|H<1>}	C(N[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(CH3)(H)	110.5380	0.000	1	110.5380	0.000	1	110.5380	0.000	1	110.5380	0.000	1	111.2499	1.648	183	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5,5]	C[5]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:C-4:H-1:H-1:	N[5,5](B[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5]HH)(CCHH)	C[5](N[5,5]B[5,5]C[5]C)(C[5]C[5]CC)(H)2	C(N[5,5]B[5,5]C[5]2)(CCHH)(H)2	N[5,5](B[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5]HH)(CCHH){2|C<3>,2|C<4>,2|H<1>}	C[5](N[5,5]B[5,5]C[5]C)(C[5]C[5]CC)(H)2{2|C<3>,5|H<1>}	C(N[5,5]B[5,5]C[5]2)(CCHH)(H)2	113.9080	0.000	1	113.9080	0.000	1	112.0985	1.227	6	111.3985	2.875	8	111.2499	1.648	183	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5,5]	C[5]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:C-4:H-1:H-1:	N[5,5](B[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5]HH)(CCHH)	C[5](N[5,5]B[5,5]C[5]C)(C[5]C[5]HH)(H)2	C(N[5,5]B[5,5]C[5]2)(CCHH)(H)2	N[5,5](B[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5]HH)(CCHH){1|C<4>,2|C<3>,3|H<1>}	C[5](N[5,5]B[5,5]C[5]C)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C(N[5,5]B[5,5]C[5]2)(CCHH)(H)2	111.2150	0.000	1	111.2150	0.000	1	112.0985	1.227	6	111.3985	2.875	8	111.2499	1.648	183	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5,5]	C[5]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:C-4:H-1:H-1:	N[5,5](B[5,5]C[5a]O[5]2)(C[5]C[5]HH)2(CCHH)	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]HH)(H)2	C(N[5,5]B[5,5]C[5]2)(CCHH)(H)2	N[5,5](B[5,5]C[5a]O[5]2)(C[5]C[5]HH)2(CCHH){2|C<3>,4|H<1>}	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(N[5,5]B[5,5]C[5]2)(CCHH)(H)2	111.1900	0.041	2	111.1900	0.002	2	112.0985	1.227	6	111.3985	2.875	8	111.2499	1.648	183	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5,5]	C[5]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:C-4:H-1:H-1:	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CCHH)	C[5](N[5,5]B[5,5]C[5]C)(C[5]C[6a]O[5]H)(H)2	C(N[5,5]B[5,5]C[5]2)(CCCH)(H)2	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CCHH){2|C<3>,2|H<1>}	C[5](N[5,5]B[5,5]C[5]C)(C[5]C[6a]O[5]H)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C(N[5,5]B[5,5]C[5]2)(CCCH)(H)2	112.5440	0.177	2	112.5440	0.031	2	112.0985	1.227	6	111.3985	2.875	8	111.2499	1.648	183	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5,5]	C[5]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	In[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:C-4:H-1:H-1:	N[5,5](In[5,5]N[5]2C)(C[5]C[5]HH)2(CCHH)	C[5](N[5,5]In[5,5]C[5]C)(C[5]N[5]HH)(H)2	C(N[5,5]In[5,5]C[5]2)(CHHO)(H)2	N[5,5](In[5,5]N[5]2C)(C[5]C[5]HH)2(CCHH){2|S<4>,4|H<1>}	C[5](N[5,5]In[5,5]C[5]C)(C[5]N[5]HH)(H)2{1|N<3>,1|S<4>,2|C<4>,2|H<1>}	C(N[5,5]In[5,5]C[5]2)(CHHO)(H)2	109.2985	1.494	2	109.2985	2.232	2	109.2985	2.232	2	111.3985	2.875	8	111.2499	1.648	183	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5,5]	C[5]	C	4:4:4:4:	4:4:1:1:	4:4:4:4:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:C-4:C-4:C-4:	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(CC3)	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]HH)(H)2	C(N[5,5]B[5,5]C[5]2)(CH3)3	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(CC3){2|C<3>,4|H<1>}	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(N[5,5]B[5,5]C[5]2)(CH3)3	111.1560	0.773	4	111.1560	0.598	4	111.1560	0.598	4	111.1560	0.598	4	111.2499	1.648	183	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5,5]	C[5]	C	4:4:4:4:	4:4:4:1:	4:3:1:1:	C[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C[5]-4:C-4:H-1:	N[5,5]-4:C[6a]-3:H-1:H-1:	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH)	C[5](N[5,5]C[5,5]C[5]C)(C[5]C[5]CH)(CH3)(H)	C(N[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(H)2	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH){1|C<3>,3|C<4>,4|H<1>}	C[5](N[5,5]C[5,5]C[5]C)(C[5]C[5]CH)(CH3)(H){2|C<4>,5|H<1>}	C(N[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(H)2	110.1090	0.000	1	110.1090	0.000	1	110.1090	0.000	1	110.1090	0.000	1	111.2499	1.648	183	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5,5]	C[5]	C	4:4:4:4:	4:4:4:1:	4:3:4:1:	C[5,5]-4:C[5]-4:C[5]-4:C-4:	C[5,5]-4:N[5,5]-4:C-4:H-1:	N[5,5]-4:C[6a]-3:C-4:H-1:	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]CH)(C[5]C[5]HH)(CC[6a]CH)	C[5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5,5]C[5]C)(CCHO)(H)	C(N[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(CH3)(H)	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]CH)(C[5]C[5]HH)(CC[6a]CH){1|I<1>,2|O<2>,5|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5,5]C[5]C)(CCHO)(H){1|O<2>,3|C<4>,4|H<1>}	C(N[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(CH3)(H)	113.5170	0.000	1	113.5170	0.000	1	113.5170	0.000	1	113.5170	0.000	1	111.2499	1.648	183	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5,5]	C[5]	C	5:4:4:4:	4:3:1:1:	4:4:1:1:	Ga[3x5]-5:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C[5]-3:H-1:H-1:	N[5,5]-4:C-4:H-1:H-1:	N[5,5](Ga[3x5]N[5,5]O[5]2O)(C[5]C[5]HH)2(CCHH)	C[5](N[5,5]Ga[3x5]C[5]C)(C[5]O[5]O)(H)2	C(N[5,5]Ga[3x5]C[5]2)(CHHN)(H)2	N[5,5](Ga[3x5]N[5,5]O[5]2O)(C[5]C[5]HH)2(CCHH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5](N[5,5]Ga[3x5]C[5]C)(C[5]O[5]O)(H)2{1|C<4>,1|N<4>,2|H<1>,2|O<2>}	C(N[5,5]Ga[3x5]C[5]2)(CHHN)(H)2	111.6250	0.858	2	111.6250	0.737	2	111.6250	0.737	2	112.0323	2.117	6	111.2499	1.648	183	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5,5]	C[5]	C	5:4:4:4:	4:3:1:1:	4:4:1:1:	Ga[4x5]-5:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C[5]-3:H-1:H-1:	N[5,5]-4:C-4:H-1:H-1:	N[5,5](Ga[4x5]N[5,5]2O[5]2)(C[5]C[5]HH)2(CCHH)	C[5](N[5,5]Ga[4x5]C[5]C)(C[5]O[5]O)(H)2	C(N[5,5]Ga[4x5]C[5]2)(CHHN)(H)2	N[5,5](Ga[4x5]N[5,5]2O[5]2)(C[5]C[5]HH)2(CCHH){1|C<3>,1|O<1>,2|H<1>,5|C<4>}	C[5](N[5,5]Ga[4x5]C[5]C)(C[5]O[5]O)(H)2{1|C<4>,1|O<2>,2|H<1>,2|N<4>}	C(N[5,5]Ga[4x5]C[5]2)(CHHN)(H)2	110.8160	0.976	2	110.8160	0.952	2	110.8160	0.952	2	112.0323	2.117	6	111.2499	1.648	183	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5,5]	C[5]	C	5:4:4:4:	4:3:1:1:	4:4:1:1:	Ga[5,5]-5:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C[5]-3:H-1:H-1:	N[5,5]-4:C-4:H-1:H-1:	N[5,5](Ga[5,5]O[5]2OO)(C[5]C[5]HH)2(CCHH)	C[5](N[5,5]Ga[5,5]C[5]C)(C[5]O[5]O)(H)2	C(N[5,5]Ga[5,5]C[5]2)(CHHN)(H)2	N[5,5](Ga[5,5]O[5]2OO)(C[5]C[5]HH)2(CCHH){2|O<1>}	C[5](N[5,5]Ga[5,5]C[5]C)(C[5]O[5]O)(H)2{1|C<3>,1|O<3>,2|H<1>,2|O<2>}	C(N[5,5]Ga[5,5]C[5]2)(CHHN)(H)2	113.6560	0.578	2	113.6560	0.335	2	113.6560	0.335	2	112.0323	2.117	6	111.2499	1.648	183	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5,5]	C[5]	C	5:4:4:4:	4:4:1:1:	4:3:1:1:	Ga[4x5]-5:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:C-3:H-1:H-1:	N[5,5](Ga[4x5]N[5,5]2O[5]2)(C[5]C[5]HH)2(CCHH)	C[5](N[5,5]Ga[4x5]C[5]C)(C[5]N[5,5]HH)(H)2	C(N[5,5]Ga[4x5]C[5]2)(COO)(H)2	N[5,5](Ga[4x5]N[5,5]2O[5]2)(C[5]C[5]HH)2(CCHH){2|C<3>,4|C<4>,4|H<1>}	C[5](N[5,5]Ga[4x5]C[5]C)(C[5]N[5,5]HH)(H)2{1|N<4>,2|H<1>,2|O<2>,3|C<4>}	C(N[5,5]Ga[4x5]C[5]2)(COO)(H)2	110.0280	0.618	2	110.0280	0.382	2	110.0280	0.382	2	110.0280	0.382	2	111.2499	1.648	183	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5,5]	C[5]	C	5:4:4:4:	4:4:1:1:	4:4:1:1:	Ga[3x5]-5:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:C-4:H-1:H-1:	N[5,5](Ga[3x5]N[5,5]O[5]2O)(C[5]C[5]HH)2(CCHH)	C[5](N[5,5]Ga[3x5]C[5]C)(C[5]N[5,5]C[6a]C)(H)2	C(N[5,5]Ga[3x5]C[5]2)(CHHN)(H)2	N[5,5](Ga[3x5]N[5,5]O[5]2O)(C[5]C[5]HH)2(CCHH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5](N[5,5]Ga[3x5]C[5]C)(C[5]N[5,5]C[6a]C)(H)2{1|C<4>,3|C<3>,3|H<1>,3|O<2>}	C(N[5,5]Ga[3x5]C[5]2)(CHHN)(H)2	111.1360	0.156	2	111.1360	0.024	2	111.7927	0.583	4	112.0648	0.580	6	111.2499	1.648	183	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5,5]	C[5]	C	5:4:4:4:	4:4:1:1:	4:4:1:1:	Ga[3x5]-5:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:C-4:H-1:H-1:	N[5,5](Ga[3x5]N[5]2O[5]2)(C[5]C[5]HH)2(CCHH)	C[5](N[5,5]Ga[3x5]C[5]C)(C[5]N[5]HH)(H)2	C(N[5,5]Ga[3x5]C[5]2)(CHHN)(H)2	N[5,5](Ga[3x5]N[5]2O[5]2)(C[5]C[5]HH)2(CCHH){2|C<3>,8|H<1>}	C[5](N[5,5]Ga[3x5]C[5]C)(C[5]N[5]HH)(H)2{1|C<4>,1|N<4>,2|O<2>,4|H<1>}	C(N[5,5]Ga[3x5]C[5]2)(CHHN)(H)2	112.4495	0.018	2	112.4495	0.000	2	111.7927	0.583	4	112.0648	0.580	6	111.2499	1.648	183	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5,5]	C[5]	C	5:4:4:4:	4:4:1:1:	4:4:1:1:	Ga[4x5]-5:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:C-4:H-1:H-1:	N[5,5](Ga[4x5]N[5,5]2O[5]2)(C[5]C[5]HH)2(CCHH)	C[5](N[5,5]Ga[4x5]C[5]C)(C[5]N[5,5]HH)(H)2	C(N[5,5]Ga[4x5]C[5]2)(CHHN)(H)2	N[5,5](Ga[4x5]N[5,5]2O[5]2)(C[5]C[5]HH)2(CCHH){1|C<3>,1|O<1>,2|H<1>,5|C<4>}	C[5](N[5,5]Ga[4x5]C[5]C)(C[5]N[5,5]HH)(H)2{1|C<3>,1|N<4>,2|C<4>,2|H<1>,2|O<2>}	C(N[5,5]Ga[4x5]C[5]2)(CHHN)(H)2	112.6090	0.512	2	112.6090	0.262	2	112.6090	0.262	2	112.0648	0.580	6	111.2499	1.648	183	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5,5]	C[5]	C	6:4:4:4:	4:3:1:1:	4:4:1:1:	Ga[4x5]-6:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C[5]-3:H-1:H-1:	N[5,5]-4:C-4:H-1:H-1:	N[5,5](Ga[4x5]N[5,5]O[5]4)(C[5]C[5]HH)2(CCHH)	C[5](N[5,5]Ga[4x5]C[5]C)(C[5]O[5]O)(H)2	C(N[5,5]Ga[4x5]C[5]2)(CHHN)(H)2	N[5,5](Ga[4x5]N[5,5]O[5]4)(C[5]C[5]HH)2(CCHH){2|C<3>,2|O<1>,3|C<4>}	C[5](N[5,5]Ga[4x5]C[5]C)(C[5]O[5]O)(H)2{1|C<3>,1|N<4>,2|H<1>,3|O<2>}	C(N[5,5]Ga[4x5]C[5]2)(CHHN)(H)2	111.0915	0.265	2	111.0915	0.070	2	111.0915	0.070	2	111.0915	0.070	2	111.2499	1.648	183	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5,5]	C[5]	C	6:4:4:4:	4:4:1:1:	4:1:1:1:	Ga[3x5]-6:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:H-1:H-1:H-1:	N[5,5](Ga[3x5]N[5,5]2F3)(C[5]C[5]HH)2(CH3)	C[5](N[5,5]Ga[3x5]C[5]C)(C[5]N[5,5]HH)(H)2	C(N[5,5]Ga[3x5]C[5]2)(H)3	N[5,5](Ga[3x5]N[5,5]2F3)(C[5]C[5]HH)2(CH3){4|C<4>,4|H<1>}	C[5](N[5,5]Ga[3x5]C[5]C)(C[5]N[5,5]HH)(H)2{1|N<4>,2|H<1>,3|C<4>,3|F<1>}	C(N[5,5]Ga[3x5]C[5]2)(H)3	110.1180	1.045	6	110.1180	1.092	6	110.1180	1.092	6	109.8998	0.919	20	111.2499	1.648	183	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5,5]	C[5]	C	6:4:4:4:	4:4:1:1:	4:1:1:1:	In[3x5]-6:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:H-1:H-1:H-1:	N[5,5](In[3x5]N[5,5]2Br3)(C[5]C[5]HH)2(CH3)	C[5](N[5,5]In[3x5]C[5]C)(C[5]N[5,5]HH)(H)2	C(N[5,5]In[3x5]C[5]2)(H)3	N[5,5](In[3x5]N[5,5]2Br3)(C[5]C[5]HH)2(CH3){4|C<4>,4|H<1>}	C[5](N[5,5]In[3x5]C[5]C)(C[5]N[5,5]HH)(H)2{3|Br<1>,1|N<4>,2|H<1>,3|C<4>}	C(N[5,5]In[3x5]C[5]2)(H)3	109.5432	1.029	6	109.5432	1.059	6	109.9591	0.869	12	109.8998	0.919	20	111.2499	1.648	183	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5,5]	C[5]	C	6:4:4:4:	4:4:1:1:	4:1:1:1:	In[3x5]-6:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:H-1:H-1:H-1:	N[5,5](In[3x5]N[5,5]2F3)(C[5]C[5]HH)2(CH3)	C[5](N[5,5]In[3x5]C[5]C)(C[5]N[5,5]HH)(H)2	C(N[5,5]In[3x5]C[5]2)(H)3	N[5,5](In[3x5]N[5,5]2F3)(C[5]C[5]HH)2(CH3){4|C<4>,4|H<1>}	C[5](N[5,5]In[3x5]C[5]C)(C[5]N[5,5]HH)(H)2{1|N<4>,2|H<1>,3|C<4>,3|F<1>}	C(N[5,5]In[3x5]C[5]2)(H)3	110.3750	0.662	6	110.3750	0.438	6	109.9591	0.869	12	109.8998	0.919	20	111.2499	1.648	183	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5,5]	C[5]	C	6:4:4:4:	4:4:1:1:	4:1:1:1:	Si[3x5]-6:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:H-1:H-1:H-1:	N[5,5](Si[3x5]N[5,5]2F3)(C[5]C[5]HH)2(CH3)	C[5](N[5,5]Si[3x5]C[5]C)(C[5]N[5,5]HH)(H)2	C(N[5,5]Si[3x5]C[5]2)(H)3	N[5,5](Si[3x5]N[5,5]2F3)(C[5]C[5]HH)2(CH3){4|C<4>,4|H<1>}	C[5](N[5,5]Si[3x5]C[5]C)(C[5]N[5,5]HH)(H)2{1|N<4>,2|H<1>,3|C<4>,3|F<1>}	C(N[5,5]Si[3x5]C[5]2)(H)3	108.8895	0.258	2	108.8895	0.067	2	108.8895	0.067	2	109.8998	0.919	20	111.2499	1.648	183	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5,6]	C[5,5,6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:N[5,6]-4:H-1:	N[5,6]-4:H-1:H-1:H-1:	N[5,6](C[5,5,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,5,6,6]HH)(CH3)(H)	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5,6]H)(C[5,6,6]C[5,3x6]C[6]H)(N[5,6]C[5,6]CH)(H)	C(N[5,6]C[5,5,6]C[5,6]H)(H)3	N[5,6](C[5,5,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,5,6,6]HH)(CH3)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5,6]H)(C[5,6,6]C[5,3x6]C[6]H)(N[5,6]C[5,6]CH)(H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C(N[5,6]C[5,5,6]C[5,6]H)(H)3	116.9090	0.000	1	116.9090	0.000	1	116.9090	0.000	1	116.9090	0.000	1	112.5805	37.472	2	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5,6]	C[5,5,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[5,5,6]-4:C[6,6]-4:C[5]-4:C-4:	N[5,6]-4:C[5,6]-4:C[5,5]-4:H-1:	N[5,6]-4:H-1:H-1:H-1:	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CH3)	C[5,5,6](N[5,6]C[6,6]C[5]C)(C[5,6]C[5]C[6]C)(C[5,5]C[5]2H)(H)	C(N[5,6]C[5,5,6]C[6,6]C[5])(H)3	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CH3){1|C<3>,3|H<1>,7|C<4>}	C[5,5,6](N[5,6]C[6,6]C[5]C)(C[5,6]C[5]C[6]C)(C[5,5]C[5]2H)(H){1|C<3>,1|O<2>,3|C<4>,8|H<1>}	C(N[5,6]C[5,5,6]C[6,6]C[5])(H)3	108.2520	0.000	1	108.2520	0.000	1	108.2520	0.000	1	108.2520	0.000	1	112.5805	37.472	2	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5,6]	C[5,6,6]	C	4:4:4:4:	4:4:3:1:	4:3:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6,6]-4:N[5,6]-4:N[5,6]-3:H-1:	N[5,6]-4:C[6a]-3:H-1:H-1:	N[5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CC[6a]HH)	C[5,6,6](C[5,6,6]N[5,6]2H)(N[5,6]C[5]C[6]C)(N[5,6]C[5]C[6])(H)	C(N[5,6]C[5,6,6]C[5]C[6])(C[6a]C[6a]N[6a])(H)2	N[5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|N<3>,1|N<4>,5|H<1>}	C[5,6,6](C[5,6,6]N[5,6]2H)(N[5,6]C[5]C[6]C)(N[5,6]C[5]C[6])(H){5|C<4>,8|H<1>}	C(N[5,6]C[5,6,6]C[5]C[6])(C[6a]C[6a]N[6a])(H)2	109.8860	0.263	2	109.5950	0.289	3	109.5950	0.289	3	109.5950	0.289	3	109.5950	0.289	3	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5,6]	C[5,6,6]	C	4:4:4:4:	4:4:3:1:	4:3:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6,6]-4:N[5,6]-4:N[5,6]-3:H-1:	N[5,6]-4:C[6a]-3:H-1:H-1:	N[5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CC[6a]HH)	C[5,6,6](C[5,6,6]N[5,6]2H)(N[5,6]C[5]C[6]C)(N[5,6]C[5]C[6])(H)	C(N[5,6]C[5,6,6]C[5]C[6])(C[6a]C[6a]N[6a])(H)2	N[5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,2|N<3>,5|H<1>}	C[5,6,6](C[5,6,6]N[5,6]2H)(N[5,6]C[5]C[6]C)(N[5,6]C[5]C[6])(H){4|C<4>,8|H<1>}	C(N[5,6]C[5,6,6]C[5]C[6])(C[6a]C[6a]N[6a])(H)2	109.0130	0.000	1	109.5950	0.289	3	109.5950	0.289	3	109.5950	0.289	3	109.5950	0.289	3	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5,6]	C[5,6]	C	4:2:4:4:	4:4:4:1:	4:1:1:1:	C[5,6]-4:O[5,6]-2:C[6]-4:C-4:	C[5,6,6]-4:N[5,6]-4:C[6]-4:H-1:	N[5,6]-4:H-1:H-1:H-1:	N[5,6](C[5,6]C[5,6,6]C[6]H)(O[5,6]C[5,6,6])(C[6]C[6,6]HH)(CH3)	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(N[5,6]O[5,6]C[6]C)(C[6]C[5a,6]HH)(H)	C(N[5,6]C[5,6]O[5,6]C[6])(H)3	N[5,6](C[5,6]C[5,6,6]C[6]H)(O[5,6]C[5,6,6])(C[6]C[6,6]HH)(CH3){2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(N[5,6]O[5,6]C[6]C)(C[6]C[5a,6]HH)(H){3|C<3>,3|C<4>,3|H<1>}	C(N[5,6]C[5,6]O[5,6]C[6])(H)3	113.3400	0.000	1	113.3400	0.000	1	113.3400	0.000	1	113.3400	0.000	1	113.3806	1.932	49	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5,6]	C[5,6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5,6,6]-4:N[5,6]-4:H-1:H-1:	N[5,6]-4:H-1:H-1:H-1:	N[5,6](C[5,5,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,5,6,6]HH)(CH3)(H)	C[5,6](C[5,5,6,6]C[5,3x6]C[5,5,6]C)(N[5,6]C[5,5,6]CH)(H)2	C(N[5,6]C[5,5,6]C[5,6]H)(H)3	N[5,6](C[5,5,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,5,6,6]HH)(CH3)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,5,6,6]C[5,3x6]C[5,5,6]C)(N[5,6]C[5,5,6]CH)(H)2{3|C<4>,3|H<1>}	C(N[5,6]C[5,5,6]C[5,6]H)(H)3	115.7640	0.000	1	115.7640	0.000	1	115.7640	0.000	1	115.7640	0.000	1	113.3806	1.932	49	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5,6]	C[5,6]	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C[5,6]-4:C[5,6]-4:C-4:H-1:	N[5,6]-4:C[5]-4:C[6]-3:H-1:	N[5,6]-4:H-1:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]H)2(CH3)(H)	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]C)(H)	C(N[5,6]C[5,6]2H)(H)3	N[5,6](C[5,6]C[5]C[6]H)2(CH3)(H){2|C<3>,6|H<1>}	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|H<1>}	C(N[5,6]C[5,6]2H)(H)3	113.4760	0.000	1	113.4760	0.000	1	113.4760	0.000	1	113.4760	0.000	1	113.3806	1.932	49	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5,6]	C[5,6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[5,6]-4:C[5,6]-4:C-4:H-1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:H-1:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]H)2(CH3)(H)	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C(N[5,6]C[5,6]2H)(H)3	N[5,6](C[5,6]C[5]C[6]H)2(CH3)(H){1|C<3>,1|C<4>,1|I<1>,6|H<1>}	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<2>,4|H<1>}	C(N[5,6]C[5,6]2H)(H)3	112.3920	0.000	1	112.8540	1.353	8	113.7913	1.393	27	113.7913	1.393	27	113.3806	1.932	49	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5,6]	C[5,6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[5,6]-4:C[5,6]-4:C-4:H-1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:H-1:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]H)2(CH3)(H)	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C(N[5,6]C[5,6]2H)(H)3	N[5,6](C[5,6]C[5]C[6]H)2(CH3)(H){1|C<3>,1|C<4>,7|H<1>}	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,4|H<1>}	C(N[5,6]C[5,6]2H)(H)3	113.4710	0.000	1	112.8540	1.353	8	113.7913	1.393	27	113.7913	1.393	27	113.3806	1.932	49	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5,6]	C[5,6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[5,6]-4:C[5,6]-4:C-4:H-1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:H-1:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]H)2(CH3)(H)	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C(N[5,6]C[5,6]2H)(H)3	N[5,6](C[5,6]C[5]C[6]H)2(CH3)(H){1|C<3>,1|C<4>,7|H<1>}	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,4|H<1>}	C(N[5,6]C[5,6]2H)(H)3	113.0870	1.721	2	112.8540	1.353	8	113.7913	1.393	27	113.7913	1.393	27	113.3806	1.932	49	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5,6]	C[5,6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[5,6]-4:C[5,6]-4:C-4:H-1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:H-1:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]H)2(CH3)(H)	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C(N[5,6]C[5,6]2H)(H)3	N[5,6](C[5,6]C[5]C[6]H)2(CH3)(H){1|C<3>,1|C<4>,7|H<1>}	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<2>,4|H<1>}	C(N[5,6]C[5,6]2H)(H)3	112.6988	1.379	4	112.8540	1.353	8	113.7913	1.393	27	113.7913	1.393	27	113.3806	1.932	49	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5,6]	C[5,6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[5,6]-4:C[5,6]-4:C-4:H-1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:H-1:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]H)2(CH3)(H)	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C(N[5,6]C[5,6]2H)(H)3	N[5,6](C[5,6]C[5]C[6]H)2(CH3)(H){1|C<3>,1|C<4>,7|H<1>}	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,4|H<1>}	C(N[5,6]C[5,6]2H)(H)3	113.7810	0.000	1	114.0593	0.662	15	113.7913	1.393	27	113.7913	1.393	27	113.3806	1.932	49	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5,6]	C[5,6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[5,6]-4:C[5,6]-4:C-4:H-1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:H-1:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]H)2(CH3)(H)	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C(N[5,6]C[5,6]2H)(H)3	N[5,6](C[5,6]C[5]C[6]H)2(CH3)(H){1|C<3>,1|C<4>,7|H<1>}	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,4|H<1>}	C(N[5,6]C[5,6]2H)(H)3	114.3790	0.887	2	114.0593	0.662	15	113.7913	1.393	27	113.7913	1.393	27	113.3806	1.932	49	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5,6]	C[5,6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[5,6]-4:C[5,6]-4:C-4:H-1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:H-1:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]H)2(CH3)(H)	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C(N[5,6]C[5,6]2H)(H)3	N[5,6](C[5,6]C[5]C[6]H)2(CH3)(H){1|C<3>,1|C<4>,7|H<1>}	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,4|H<1>}	C(N[5,6]C[5,6]2H)(H)3	114.0337	1.206	4	114.0593	0.662	15	113.7913	1.393	27	113.7913	1.393	27	113.3806	1.932	49	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5,6]	C[5,6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[5,6]-4:C[5,6]-4:C-4:H-1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:H-1:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]H)2(CH3)(H)	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C(N[5,6]C[5,6]2H)(H)3	N[5,6](C[5,6]C[5]C[6]H)2(CH3)(H){1|C<4>,1|O<2>,7|H<1>}	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,2|O<2>,3|H<1>}	C(N[5,6]C[5,6]2H)(H)3	114.7157	0.365	3	114.0593	0.662	15	113.7913	1.393	27	113.7913	1.393	27	113.3806	1.932	49	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5,6]	C[5,6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[5,6]-4:C[5,6]-4:C-4:H-1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:H-1:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]H)2(CH3)(H)	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C(N[5,6]C[5,6]2H)(H)3	N[5,6](C[5,6]C[5]C[6]H)2(CH3)(H){1|C<4>,8|H<1>}	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|N<4>,4|H<1>}	C(N[5,6]C[5,6]2H)(H)3	113.4350	0.052	2	114.0593	0.662	15	113.7913	1.393	27	113.7913	1.393	27	113.3806	1.932	49	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5,6]	C[5,6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[5,6]-4:C[5,6]-4:C-4:H-1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:H-1:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]H)2(CH3)(H)	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C(N[5,6]C[5,6]2H)(H)3	N[5,6](C[5,6]C[5]C[6]H)2(CH3)(H){1|C<4>,8|H<1>}	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]HH)(H){2|C<4>,4|H<1>}	C(N[5,6]C[5,6]2H)(H)3	114.0005	0.861	2	114.0593	0.662	15	113.7913	1.393	27	113.7913	1.393	27	113.3806	1.932	49	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5,6]	C[5,6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[5,6]-4:C[5,6]-4:C-4:H-1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:H-1:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]H)2(CH3)(H)	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C(N[5,6]C[5,6]2H)(H)3	N[5,6](C[5,6]C[5]C[6]H)2(CH3)(H){2|C<3>,6|H<1>}	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|H<1>}	C(N[5,6]C[5,6]2H)(H)3	113.1980	0.000	1	114.0593	0.662	15	113.7913	1.393	27	113.7913	1.393	27	113.3806	1.932	49	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5,6]	C[5,6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[5,6]-4:C[5,6]-4:C-4:H-1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:H-1:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]H)2(CH3)(H)	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]HI)(H)	C(N[5,6]C[5,6]2H)(H)3	N[5,6](C[5,6]C[5]C[6]H)2(CH3)(H){1|C<3>,1|C<4>,1|I<1>,6|H<1>}	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]HI)(H){1|C<4>,1|O<2>,4|H<1>}	C(N[5,6]C[5,6]2H)(H)3	113.2120	0.000	1	113.2120	0.000	1	113.7913	1.393	27	113.7913	1.393	27	113.3806	1.932	49	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5,6]	C[5,6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[5,6]-4:C[5,6]-4:C-4:H-1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:H-1:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]H)2(CH3)(H)	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HO)(C[6]C[6]HH)(H)	C(N[5,6]C[5,6]2H)(H)3	N[5,6](C[5,6]C[5]C[6]H)2(CH3)(H){1|C<4>,1|O<2>,7|H<1>}	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HO)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,4|H<1>}	C(N[5,6]C[5,6]2H)(H)3	115.1437	1.333	3	115.1437	1.776	3	113.7913	1.393	27	113.7913	1.393	27	113.3806	1.932	49	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5,6]	C[5,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[5,6]-4:C[5,6]-4:B-4:C-4:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:H-1:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]H)2(BH3)(CH3)	C[5,6](N[5,6]C[5,6]BC)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C(N[5,6]C[5,6]2B)(H)3	N[5,6](C[5,6]C[5]C[6]H)2(BH3)(CH3){1|C<4>,8|H<1>}	C[5,6](N[5,6]C[5,6]BC)(C[5]C[5]HH)(C[6]C[6]HH)(H){2|C<4>,4|H<1>}	C(N[5,6]C[5,6]2B)(H)3	112.9650	0.506	2	112.9650	0.256	2	112.9650	0.256	2	112.4538	2.567	13	113.3806	1.932	49	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5,6]	C[5,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[5,6]-4:C[5,6]-4:C-4:C-4:	C[3,5]-4:N[5,6]-4:C[6]-4:H-1:	N[5,6]-4:H-1:H-1:H-1:	N[5,6](C[5,6]C[3,5]C[6]H)2(CCHH)(CH3)	C[5,6](C[3,5]C[3,5]O[3]H)(N[5,6]C[5,6]CC)(C[6]C[6]HH)(H)	C(N[5,6]C[5,6]2C)(H)3	N[5,6](C[5,6]C[3,5]C[6]H)2(CCHH)(CH3){1|C<4>,1|O<2>,6|H<1>}	C[5,6](C[3,5]C[3,5]O[3]H)(N[5,6]C[5,6]CC)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|H<1>}	C(N[5,6]C[5,6]2C)(H)3	112.1103	0.895	6	112.1103	0.800	6	112.1103	0.800	6	112.4538	2.567	13	113.3806	1.932	49	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5,6]	C[5,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[5,6]-4:C[5,6]-4:C-4:C-4:	N[5,6]-4:C[6]-4:C[5]-4:H-1:	N[5,6]-4:H-1:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]H)2(CH3)2	C[5,6](N[5,6]C[5,6]CC)(C[6]C[5,6]HH)(C[5]C[5]HH)(H)	C(N[5,6]C[5,6]2C)(H)3	N[5,6](C[5,6]C[5]C[6]H)2(CH3)2{1|C<4>,8|H<1>}	C[5,6](N[5,6]C[5,6]CC)(C[6]C[5,6]HH)(C[5]C[5]HH)(H){1|C<4>,2|O<2>,3|H<1>}	C(N[5,6]C[5,6]2C)(H)3	112.6328	2.892	4	112.6328	8.362	4	112.6328	8.362	4	112.4538	2.567	13	113.3806	1.932	49	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5,6]	C[5,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:H-1:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C[5,6](N[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HO)(H)	C(N[5,6]C[5,6]C[5]C[6])(H)3	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,6|H<1>}	C[5,6](N[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HO)(H){1|C<4>,1|O<2>,7|H<1>}	C(N[5,6]C[5,6]C[5]C[6])(H)3	112.7770	0.000	1	112.7770	0.000	1	112.7770	0.000	1	112.4538	2.567	13	113.3806	1.932	49	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5,6]	C[5,6]	C	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[5,6]-4:C-4:C-4:	C[3,5]-4:N[5,6]-4:C[6]-4:H-1:	N[5,6]-4:C-4:H-1:H-1:	N[5,6](C[5,6]C[3,5]C[6]H)2(CCHH)(CH3)	C[5,6](C[3,5]C[3,5]O[3]H)(N[5,6]C[5,6]CC)(C[6]C[6]HH)(H)	C(N[5,6]C[5,6]2C)(CH3)(H)2	N[5,6](C[5,6]C[3,5]C[6]H)2(CCHH)(CH3){1|C<4>,1|O<2>,6|H<1>}	C[5,6](C[3,5]C[3,5]O[3]H)(N[5,6]C[5,6]CC)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|H<1>}	C(N[5,6]C[5,6]2C)(CH3)(H)2	113.1343	0.887	6	113.1343	0.786	6	113.1343	0.786	6	113.1343	0.786	6	113.3806	1.932	49	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5,6]	C[5]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,5,6]-4:C[6,6]-4:C[5]-4:C-4:	N[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-4:H-1:H-1:H-1:	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CH3)	C[5](N[5,6]C[5,5,6]C[6,6]C)(C[5]C[5,5]CH)(H)2	C(N[5,6]C[5,5,6]C[6,6]C[5])(H)3	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CH3){1|C<3>,3|H<1>,7|C<4>}	C[5](N[5,6]C[5,5,6]C[6,6]C)(C[5]C[5,5]CH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C(N[5,6]C[5,5,6]C[6,6]C[5])(H)3	109.0740	0.000	1	109.0740	0.000	1	109.0740	0.000	1	109.3750	0.181	2	110.5422	2.471	11	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5,6]	C[5]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	N[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-4:H-1:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C[5](N[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C(N[5,6]C[5,6]C[5]C[6])(H)3	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,6|H<1>}	C[5](N[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	C(N[5,6]C[5,6]C[5]C[6])(H)3	109.6760	0.000	1	109.6760	0.000	1	109.6760	0.000	1	109.3750	0.181	2	110.5422	2.471	11	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5,6]	C[5]	C	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	N[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-4:C[6a]-3:H-1:H-1:	N[5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CC[6a]HH)	C[5](N[5,6]C[5,6,6]C[6]C)(C[5]N[5,6]HH)(H)2	C(N[5,6]C[5,6,6]C[5]C[6])(C[6a]C[6a]N[6a])(H)2	N[5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|N<3>,1|N<4>,5|H<1>}	C[5](N[5,6]C[5,6,6]C[6]C)(C[5]N[5,6]HH)(H)2{3|C<4>,3|H<1>}	C(N[5,6]C[5,6,6]C[5]C[6])(C[6a]C[6a]N[6a])(H)2	112.6440	0.208	2	112.7210	0.039	3	112.7210	0.039	3	112.7210	0.039	3	110.5422	2.471	11	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5,6]	C[5]	C	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	N[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-4:C[6a]-3:H-1:H-1:	N[5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CC[6a]HH)	C[5](N[5,6]C[5,6,6]C[6]C)(C[5]N[5,6]HH)(H)2	C(N[5,6]C[5,6,6]C[5]C[6])(C[6a]C[6a]N[6a])(H)2	N[5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,2|N<3>,5|H<1>}	C[5](N[5,6]C[5,6,6]C[6]C)(C[5]N[5,6]HH)(H)2{3|C<4>,3|H<1>}	C(N[5,6]C[5,6,6]C[5]C[6])(C[6a]C[6a]N[6a])(H)2	112.8750	0.000	1	112.7210	0.039	3	112.7210	0.039	3	112.7210	0.039	3	110.5422	2.471	11	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5,6]	C[5]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	B[5,5,6]-4:B[6]-4:C[5]-4:C-4:	N[5,6]-4:C[5]-4:C-4:H-1:	N[5,6]-4:H-1:H-1: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)	C[5](N[5,6]B[5,5,6]B[6]C)(C[5]N[5,5]HH)(CH3)(H)	C(N[5,6]B[5,5,6]B[6]C[5])(H)3	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>}	C[5](N[5,6]B[5,5,6]B[6]C)(C[5]N[5,5]HH)(CH3)(H){1|B<4>,1|C<4>,1|N<3>,2|H<1>,2|O<2>}	C(N[5,6]B[5,5,6]B[6]C[5])(H)3	110.2830	0.000	1	110.2830	0.000	1	110.2830	0.000	1	110.2830	0.000	1	110.5422	2.471	11	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5,6]	C[5]	C	5:4:4:4:	4:3:1:1:	4:4:1:1:	Ga[5,6]-5:C[6]-4:C[5]-4:C-4:	N[5,6]-4:C[5]-3:H-1:H-1:	N[5,6]-4:C-4:H-1:H-1:	N[5,6](Ga[5,6]O[5]O[6]OO)(C[6]C[6,6a]HH)(C[5]C[5]HH)(CCHH)	C[5](N[5,6]Ga[5,6]C[6]C)(C[5]O[5]O)(H)2	C(N[5,6]Ga[5,6]C[5]C[6])(CHHN)(H)2	N[5,6](Ga[5,6]O[5]O[6]OO)(C[6]C[6,6a]HH)(C[5]C[5]HH)(CCHH){1|O<1>,2|C<3>}	C[5](N[5,6]Ga[5,6]C[6]C)(C[5]O[5]O)(H)2{1|C<3>,1|O<3>,2|H<1>,2|O<2>}	C(N[5,6]Ga[5,6]C[5]C[6])(CHHN)(H)2	110.3490	0.000	1	110.3490	0.000	1	110.3490	0.000	1	110.3490	0.000	1	110.5422	2.471	11	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5,6]	C[5]	C	5:4:4:4:	4:4:1:1:	4:1:1:1:	In[5,6,6]-5:C[6]-4:C[5]-4:C-4:	N[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-4:H-1:H-1:H-1:	N[5,6](In[5,6,6]N[5,6]O[6]2Cl)(C[6]C[6,6a]HH)(C[5]C[5]HH)(CH3)	C[5](N[5,6]In[5,6,6]C[6]C)(C[5]N[5,6]HH)(H)2	C(N[5,6]In[5,6,6]C[5]C[6])(H)3	N[5,6](In[5,6,6]N[5,6]O[6]2Cl)(C[6]C[6,6a]HH)(C[5]C[5]HH)(CH3){2|C<4>,2|H<1>,3|C<3>}	C[5](N[5,6]In[5,6,6]C[6]C)(C[5]N[5,6]HH)(H)2{1|Cl<1>,1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C(N[5,6]In[5,6,6]C[5]C[6])(H)3	109.5620	1.868	2	109.5620	3.490	2	109.5620	3.490	2	109.4477	1.784	3	110.5422	2.471	11	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5,6]	C[5]	C	5:4:4:4:	4:4:1:1:	4:1:1:1:	In[5,6]-5:C[6]-4:C[5]-4:C-4:	N[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-4:H-1:H-1:H-1:	N[5,6](In[5,6]N[5]O[6]Cl2)(C[6]C[6,6a]HH)(C[5]C[5]HH)(CH3)	C[5](N[5,6]In[5,6]C[6]C)(C[5]N[5]HH)(H)2	C(N[5,6]In[5,6]C[5]C[6])(H)3	N[5,6](In[5,6]N[5]O[6]Cl2)(C[6]C[6,6a]HH)(C[5]C[5]HH)(CH3){2|C<3>,2|C<4>,2|H<1>}	C[5](N[5,6]In[5,6]C[6]C)(C[5]N[5]HH)(H)2{2|Cl<1>,1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C(N[5,6]In[5,6]C[5]C[6])(H)3	109.2190	0.000	1	109.2190	0.000	1	109.2190	0.000	1	109.4477	1.784	3	110.5422	2.471	11	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5,6]	C[5]	C	7:4:4:4:	4:4:1:1:	4:1:1:1:	Nb[3,5,6]-7:C[6]-4:C[5]-4:C-4:	N[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-4:H-1:H-1:H-1:	N[5,6](Nb[3,5,6]C[3]2N[5]O[6]Cl2)(C[6]C[6,6a]HH)(C[5]C[5]HH)(CH3)	C[5](N[5,6]Nb[3,5,6]C[6]C)(C[5]N[5]HH)(H)2	C(N[5,6]Nb[3,5,6]C[5]C[6])(H)3	N[5,6](Nb[3,5,6]C[3]2N[5]O[6]Cl2)(C[6]C[6,6a]HH)(C[5]C[5]HH)(CH3){2|C<3>,2|H<1>,4|C<4>}	C[5](N[5,6]Nb[3,5,6]C[6]C)(C[5]N[5]HH)(H)2{2|Cl<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C(N[5,6]Nb[3,5,6]C[5]C[6])(H)3	110.0760	0.000	1	110.0760	0.000	1	110.0760	0.000	1	110.0760	0.000	1	110.5422	2.471	11	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:4:4:1:	3:4:4:1:	4:1:1:1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,6]-3:C[5,5]-4:N[5]-4:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5,5]C[5,5]C[5,6]H)(C[5]C[5]HH)(CH3)(H)	C[5,5](C[5,6]C[5,6]C[6])(C[5,5]C[5]2H)(N[5]C[5]CH)(H)	C(N[5]C[5,5]C[5]H)(H)3	N[5](C[5,5]C[5,5]C[5,6]H)(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,5](C[5,6]C[5,6]C[6])(C[5,5]C[5]2H)(N[5]C[5]CH)(H){1|C<3>,1|N<3>,7|H<1>}	C(N[5]C[5,5]C[5]H)(H)3	111.7460	0.000	1	111.7460	0.000	1	111.7460	0.000	1	111.7460	0.000	1	114.9337	3.601	7	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:4:4:1:	4:3:4:3:	4:1:1:1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[3,5]-4:C[5,6a]-3:N[5]-4:C[5]-3:	N[5]-4:H-1:H-1:H-1:	N[5](C[5,5]C[5,6a]C[3,5]C[5])(C[5]C[3,5]HH)(CH3)(H)	C[5,5](C[3,5]C[3,5]C[6a]C[3])(C[5,6a]C[5,6a]C[6a])(N[5]C[5]CH)(C[5]N[5]O)	C(N[5]C[5,5]C[5]H)(H)3	N[5](C[5,5]C[5,6a]C[3,5]C[5])(C[5]C[3,5]HH)(CH3)(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>}	C[5,5](C[3,5]C[3,5]C[6a]C[3])(C[5,6a]C[5,6a]C[6a])(N[5]C[5]CH)(C[5]N[5]O){1|C<4>,4|H<1>,6|C<3>}	C(N[5]C[5,5]C[5]H)(H)3	115.8770	0.000	1	115.8770	0.000	1	115.8770	0.000	1	115.8770	0.000	1	114.9337	3.601	7	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:4:4:1:	4:4:4:4:	4:4:1:1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C[5]-4:N[5]-4:	N[5]-4:C-4:H-1:H-1:	N[5](C[5,5]C[5]3)(C[5]C[5]HH)(CCHH)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]HH)2(N[5]C[5]CH)	C(N[5]C[5,5]C[5]H)(CC[6a]HH)(H)2	N[5](C[5,5]C[5]3)(C[5]C[5]HH)(CCHH)(H){1|C<4>,2|C<3>,7|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]HH)2(N[5]C[5]CH){1|O<1>,2|C<3>,6|H<1>}	C(N[5]C[5,5]C[5]H)(CC[6a]HH)(H)2	117.1680	0.000	1	117.1680	0.000	1	117.1680	0.000	1	117.1680	0.000	1	114.9337	3.601	7	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:4:4:2:	4:3:4:1:	4:1:1:1:	C[5,5]-4:C[5]-4:C-4:O-2:	C[5,5]-4:N[5]-3:N[5]-4:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(CH3)(OH)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]CO)(H)	C(N[5]C[5,5]C[5]O)(H)3	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(CH3)(OH){2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]CO)(H){2|C<3>,4|H<1>}	C(N[5]C[5,5]C[5]O)(H)3	115.5885	0.764	2	115.5885	0.584	2	115.5885	0.584	2	115.5885	0.584	2	114.9337	3.601	7	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:4:4:2:	4:4:4:1:	4:4:1:1:	C[5,5]-4:C[5]-4:C-4:O-2:	C[5,5]-4:C[5]-4:N[5]-4:H-1:	N[5]-4:C-4:H-1:H-1:	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(CCHH)(OCo)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(N[5]C[5]CO)(H)	C(N[5]C[5,5]C[5]O)(CCHH)(H)2	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(CCHH)(OCo){2|C<4>,5|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(N[5]C[5]CO)(H){1|C<3>,7|H<1>}	C(N[5]C[5,5]C[5]O)(CCHH)(H)2	114.2840	1.810	2	114.2840	3.277	2	114.2840	3.277	2	114.2840	3.277	2	114.9337	3.601	7	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5,6]	C	4:2:4:1:	4:4:4:1:	4:1:1:1:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6]-4:C[6]-4:N[5]-4:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]O[5]CH)(H)	C(N[5]C[5,6]O[5]H)(H)3	N[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3)(H){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]O[5]CH)(H){1|C<3>,1|N<3>,5|H<1>}	C(N[5]C[5,6]O[5]H)(H)3	115.8330	0.000	1	115.8330	0.000	1	115.8330	0.000	1	115.8330	0.000	1	113.6288	6.612	19	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5,6]	C	4:2:4:4:	4:4:4:1:	4:1:1:1:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5,6]-4:C[6]-4:N[5]-4:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(N[5]O[5]CC)(H)	C(N[5]C[5,6]O[5]C)(H)3	N[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3)2{2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(N[5]O[5]CC)(H){1|C<3>,1|N<3>,5|H<1>}	C(N[5]C[5,6]O[5]C)(H)3	114.1345	2.329	2	114.1345	5.422	2	114.1345	5.422	2	114.1345	5.422	2	113.6288	6.612	19	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5,6]	C	4:4:4:1:	3:4:4:1:	4:3:4:1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-3:C[6]-4:N[5]-4:H-1:	N[5]-4:C[6a]-3:C-4:H-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CC[6a]CH)(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]CH)(H)	C(N[5]C[5,6]C[5]H)(C[6a]C[6a]2)(CH3)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CC[6a]CH)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]CH)(H){1|C<4>,7|H<1>}	C(N[5]C[5,6]C[5]H)(C[6a]C[6a]2)(CH3)(H)	115.6390	0.000	1	115.6390	0.000	1	115.6390	0.000	1	115.6390	0.000	1	113.6288	6.612	19	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5,6]	C	4:4:4:1:	4:3:4:1:	4:1:1:1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[6,6]-4:C[5,6]-3:N[5]-4:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CH3)(H)	C[5,6](C[6,6]C[6,6a]C[6,6]H)(C[5,6]C[5]C[6])(N[5]C[5]CH)(H)	C(N[5]C[5,6]C[5]H)(H)3	N[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CH3)(H){1|C<2>,1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[6,6]C[6,6a]C[6,6]H)(C[5,6]C[5]C[6])(N[5]C[5]CH)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C(N[5]C[5,6]C[5]H)(H)3	117.2940	0.000	1	117.2940	0.000	1	117.2940	0.000	1	117.2940	0.000	1	113.6288	6.612	19	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5,6]	C	4:4:4:1:	4:3:4:4:	4:4:1:1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:N[5]-4:	N[5]-4:C-4:H-1:H-1:	N[5](C[5,6]C[5,6]C[6a]C[6])(C[5]C[5]HH)(CCHH)(H)	C[5,6](C[5,6]C[5]C[6]S)(C[6a]C[6a]2)(C[6]C[6]HH)(N[5]C[5]CH)	C(N[5]C[5,6]C[5]H)(CCHH)(H)2	N[5](C[5,6]C[5,6]C[6a]C[6])(C[5]C[5]HH)(CCHH)(H){1|C<4>,1|S<4>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]S)(C[6a]C[6a]2)(C[6]C[6]HH)(N[5]C[5]CH){1|C<4>,3|C<3>,8|H<1>}	C(N[5]C[5,6]C[5]H)(CCHH)(H)2	117.3590	0.000	1	117.3590	0.000	1	117.3590	0.000	1	117.3590	0.000	1	113.6288	6.612	19	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5,6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6,6]-4:C[6]-4:N[5]-4:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(CH3)(H)	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[6]C[6]HH)(N[5]C[5]CH)(H)	C(N[5]C[5,6]C[5]H)(H)3	N[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(CH3)(H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[6]C[6]HH)(N[5]C[5]CH)(H){3|C<3>,3|O<2>,4|H<1>}	C(N[5]C[5,6]C[5]H)(H)3	112.0400	0.000	1	112.0400	0.000	1	112.0400	0.000	1	114.7603	7.315	3	113.6288	6.612	19	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5,6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[6]-4:N[5]-4:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(H)	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]ClH)(N[5]C[5]CH)(H)	C(N[5]C[5,6]C[5]H)(H)3	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(H){1|Cl<1>,1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]ClH)(N[5]C[5]CH)(H){1|C<4>,2|C<3>,8|H<1>}	C(N[5]C[5,6]C[5]H)(H)3	114.7920	0.000	1	114.7920	0.000	1	114.7920	0.000	1	114.7603	7.315	3	113.6288	6.612	19	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5,6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[6,6]-4:C[5,6]-4:N[5]-4:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CH3)(H)	C[5,6](C[6,6]C[6,6a]C[6,6]H)(C[5,6]C[5]C[6]H)(N[5]C[5]CH)(H)	C(N[5]C[5,6]C[5]H)(H)3	N[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CH3)(H){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[6,6]C[6,6a]C[6,6]H)(C[5,6]C[5]C[6]H)(N[5]C[5]CH)(H){1|C<4>,1|O<2>,2|C<3>,7|H<1>}	C(N[5]C[5,6]C[5]H)(H)3	117.4490	0.000	1	117.4490	0.000	1	117.4490	0.000	1	114.7603	7.315	3	113.6288	6.612	19	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5,6]	C	4:4:4:1:	4:4:4:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[6]-4:N[5]-4:H-1:	N[5]-4:C[6a]-3:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CC[6a]HH)(H)	C[5,6](C[5,6]C[5]C[6]Br)(C[6]C[6]HH)(N[5]C[5]CH)(H)	C(N[5]C[5,6]C[5]H)(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CC[6a]HH)(H){1|Br<1>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]Br)(C[6]C[6]HH)(N[5]C[5]CH)(H){1|C<4>,8|H<1>}	C(N[5]C[5,6]C[5]H)(C[6a]C[6a]2)(H)2	112.1710	0.000	1	112.1710	0.000	1	112.1710	0.000	1	112.1710	0.000	1	113.6288	6.612	19	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5,6]	C	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[6]-4:N[5]-4:H-1:	N[5]-4:C-4:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(CCHH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CC)(N[5]C[5]CH)(H)	C(N[5]C[5,6]C[5]H)(CCHH)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(CCHH)(H){3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CC)(N[5]C[5]CH)(H){2|C<4>,7|H<1>}	C(N[5]C[5,6]C[5]H)(CCHH)(H)2	111.9880	0.000	1	111.9880	0.000	1	111.9880	0.000	1	111.9880	0.000	1	113.6288	6.612	19	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5,6]	C	4:4:4:4:	4:3:4:1:	4:1:1:1:	C[5,6]-4:C[5]-4:C-4:C-4:	C[5,6]-4:C[6]-3:N[5]-4:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCHH)(CH3)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,5,6]O)(N[5]C[5]CC)(H)	C(N[5]C[5,6]C[5]C)(H)3	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCHH)(CH3){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,5,6]O)(N[5]C[5]CC)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C(N[5]C[5,6]C[5]C)(H)3	110.9490	0.000	2	110.9490	0.000	2	110.9490	0.000	2	110.9490	0.000	2	113.6288	6.612	19	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5,6]	C	4:4:4:4:	4:3:4:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C-4:C-4:	C[5,6]-4:C[6]-3:N[5]-4:H-1:	N[5]-4:C-4:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCHH)(CH3)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,5,6]O)(N[5]C[5]CC)(H)	C(N[5]C[5,6]C[5]C)(CC[5,5,6]HH)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCHH)(CH3){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,5,6]O)(N[5]C[5]CC)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C(N[5]C[5,6]C[5]C)(CC[5,5,6]HH)(H)2	111.1540	0.000	2	111.1540	0.000	2	111.1540	0.000	2	111.1540	0.000	2	113.6288	6.612	19	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5,6]	C	5:4:4:4:	4:4:4:1:	4:4:1:1:	In[5,6]-5:C[5,6]-4:C-4:C-4:	C[5,6]-4:N[5]-4:C[6]-4:H-1:	N[5]-4:C-4:H-1:H-1:	N[5](In[5,6]N[5,6]O[6]Cl2)(C[5,6]C[5,6]C[6]H)(CCHH)2	C[5,6](C[5,6]N[5,6]C[6]H)(N[5]In[5,6]CC)(C[6]C[6]HH)(H)	C(N[5]In[5,6]C[5,6]C)(CCHH)(H)2	N[5](In[5,6]N[5,6]O[6]Cl2)(C[5,6]C[5,6]C[6]H)(CCHH)2{1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]N[5,6]C[6]H)(N[5]In[5,6]CC)(C[6]C[6]HH)(H){2|Cl<1>,1|O<2>,2|C<4>,5|H<1>}	C(N[5]In[5,6]C[5,6]C)(CCHH)(H)2	112.9768	2.901	4	112.9768	8.414	4	112.9768	8.414	4	112.9768	8.414	4	113.6288	6.612	19	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	3:4:4:4:	3:4:2:1:	4:1:1:1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5,6a]-3:N[5]-4:O-2:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HO)(CH3)2	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]CC)(OH)(H)	C(N[5]C[5,6a]C[5]C)(H)3	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HO)(CH3)2{1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]CC)(OH)(H){1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5]C)(H)3	110.1885	2.070	4	110.1885	4.285	4	110.1885	4.285	4	110.1885	4.285	4	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	3:4:4:4:	3:4:3:1:	4:1:1:1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5,6a]-3:N[5]-4:C[5]-3:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5]H)(CH3)2	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]CC)(C[5]C[5]2)(H)	C(N[5]C[5,6a]C[5]C)(H)3	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5]H)(CH3)2{1|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]CC)(C[5]C[5]2)(H){1|H<1>,2|C<4>,2|O<1>,3|C<3>}	C(N[5]C[5,6a]C[5]C)(H)3	110.3563	0.864	4	110.3563	0.746	4	110.3563	0.746	4	110.4989	0.682	8	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	3:4:4:4:	3:4:3:1:	4:1:1:1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5,6a]-3:N[5]-4:C[6]-3:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6]H)(CH3)2	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]CC)(C[6]C[6]2)(H)	C(N[5]C[5,6a]C[5]C)(H)3	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6]H)(CH3)2{1|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]CC)(C[6]C[6]2)(H){1|H<1>,2|C<4>,2|O<1>,3|C<3>}	C(N[5]C[5,6a]C[5]C)(H)3	110.6640	1.095	2	110.6415	0.790	4	110.6415	0.790	4	110.4989	0.682	8	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	3:4:4:4:	3:4:3:1:	4:1:1:1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5,6a]-3:N[5]-4:C[6]-3:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6]H)(CH3)2	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]CC)(C[6]C[6]2)(H)	C(N[5]C[5,6a]C[5]C)(H)3	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6]H)(CH3)2{1|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]CC)(C[6]C[6]2)(H){1|H<1>,2|N<3>,2|O<1>,3|C<3>}	C(N[5]C[5,6a]C[5]C)(H)3	110.6190	1.082	2	110.6415	0.790	4	110.6415	0.790	4	110.4989	0.682	8	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6a]-3:C[5]-4:C-4:C-4:	B[5,5]-4:N[5]-4:F-1:F-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]B[5,5]FF)(CH3)2	C[5](B[5,5]C[5,6a]O[5]2)(N[5]C[5,6a]CC)(F)2	C(N[5]C[5,6a]C[5]C)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]B[5,5]FF)(CH3)2{1|H<1>,2|C<3>,2|O<2>}	C[5](B[5,5]C[5,6a]O[5]2)(N[5]C[5,6a]CC)(F)2{2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5]C)(H)3	110.7740	3.516	2	110.7740	12.360	2	110.7740	12.360	2	110.7740	12.360	2	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:2:4:1:	3:4:4:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:H-1:	C[6a]-3:C[5]-4:N[5]-4:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(O[5]C[5])(CH3)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(N[5]O[5]CH)(H)	C(N[5]C[5]O[5]H)(H)3	N[5](C[5]C[6a]C[5]H)(O[5]C[5])(CH3)(H){2|C<3>,2|H<1>,2|S<4>}	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(N[5]O[5]CH)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C(N[5]C[5]O[5]H)(H)3	113.1010	0.000	1	113.1010	0.000	1	113.1010	0.000	1	113.1010	0.000	1	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:2:4:1:	4:4:4:4:	4:1:1:1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:N[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5](C[5]C[5]CC)(O[5]C[5])(CH3)(H)	C[5](C[5]C[5]HH)(N[5]O[5]CH)(CCHO)(CH3)	C(N[5]C[5]O[5]H)(H)3	N[5](C[5]C[5]CC)(O[5]C[5])(CH3)(H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]O[5]CH)(CCHO)(CH3){2|H<1>}	C(N[5]C[5]O[5]H)(H)3	118.1080	0.000	1	118.1080	0.000	1	118.1080	0.000	1	118.1080	0.000	1	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:2:4:4:	4:2:1:1:	4:4:1:1:	C[5]-4:O[5]-2:C-4:C-4:	N[5]-4:O[5]-2:H-1:H-1:	N[5]-4:C-4:H-1:H-1:	N[5](C[5]O[5]HH)(O[5]B[5])(CCCH)(CCHH)	C[5](N[5]O[5]CC)(O[5]B[5])(H)2	C(N[5]C[5]O[5]C)(CN[5]HH)(H)2	N[5](C[5]O[5]HH)(O[5]B[5])(CCCH)(CCHH){2|C<3>}	C[5](N[5]O[5]CC)(O[5]B[5])(H)2{2|C<3>}	C(N[5]C[5]O[5]C)(CN[5]HH)(H)2	113.4940	0.000	1	113.4940	0.000	1	113.4940	0.000	1	113.4940	0.000	1	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:2:4:4:	4:2:1:1:	4:4:4:1:	C[5]-4:O[5]-2:C-4:C-4:	N[5]-4:O[5]-2:H-1:H-1:	N[5]-4:C-4:C-4:H-1:	N[5](C[5]O[5]HH)(O[5]B[5])(CCCH)(CCHH)	C[5](N[5]O[5]CC)(O[5]B[5])(H)2	C(N[5]C[5]O[5]C)(CH3)2(H)	N[5](C[5]O[5]HH)(O[5]B[5])(CCCH)(CCHH){2|C<3>}	C[5](N[5]O[5]CC)(O[5]B[5])(H)2{2|C<3>}	C(N[5]C[5]O[5]C)(CH3)2(H)	110.6160	0.000	1	110.6160	0.000	1	110.6160	0.000	1	110.6160	0.000	1	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:2:4:4:	4:4:3:2:	4:1:1:1:	C[5]-4:N[5]-2:C-4:C-4:	C[5]-4:N[5]-4:C-3:O-2:	N[5]-4:H-1:H-1:H-1:	N[5](C[5]C[5]CO)(N[5]C[5])(CH3)2	C[5](C[5]C[5]CH)(N[5]N[5]CC)(COO)(OH)	C(N[5]C[5]N[5]C)(H)3	N[5](C[5]C[5]CO)(N[5]C[5])(CH3)2{1|H<1>,2|C<3>}	C[5](C[5]C[5]CH)(N[5]N[5]CC)(COO)(OH){1|C<3>}	C(N[5]C[5]N[5]C)(H)3	112.3205	1.735	2	112.3205	3.009	2	112.3205	3.009	2	112.3205	3.009	2	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:3:4:4:	4:4:1:1:	4:4:1:1:	B[5]-4:C[6a]-3:C[5]-4:C-4:	N[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C-4:H-1:H-1:	N[5](B[5]C[6a]2C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(CCHH)	C[5](N[5]C[6a]B[5]C)(C[5]C[5]HH)(H)2	C(N[5]C[6a]B[5]C[5])(CCHH)(H)2	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>}	C[5](N[5]C[6a]B[5]C)(C[5]C[5]HH)(H)2{2|H<1>,4|C<3>}	C(N[5]C[6a]B[5]C[5])(CCHH)(H)2	107.3780	0.000	1	107.3780	0.000	1	107.3780	0.000	1	107.3780	0.000	1	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:2:1:	3:3:4:2:	4:3:1:1:	C[5]-4:C-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:N[5]-4:N[5]-2:	N[5]-4:C[6a]-3:H-1:H-1:	N[5](C[5]C[6a]2N[5])(CC[6a]HH)(O[5]C[5])(H)	C[5](C[6a]C[6a]2)2(N[5]O[5]CH)(N[5]C[5])	C(N[5]C[5]O[5]H)(C[6a]C[6a]2)(H)2	N[5](C[5]C[6a]2N[5])(CC[6a]HH)(O[5]C[5])(H){1|N<3>,4|C<3>}	C[5](C[6a]C[6a]2)2(N[5]O[5]CH)(N[5]C[5]){1|N<3>,4|C<3>,4|H<1>}	C(N[5]C[5]O[5]H)(C[6a]C[6a]2)(H)2	114.6800	0.000	1	114.6800	0.000	1	114.6800	0.000	1	114.6800	0.000	1	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:1:	3:4:4:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:H-1:	C[6a]-3:C[5]-4:N[5]-4:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CH3)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]CH)(H)	C(N[5]C[5]2H)(H)3	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CH3)(H){2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]CH)(H){1|C<3>,1|N<2>,6|H<1>}	C(N[5]C[5]2H)(H)3	115.6370	0.987	2	115.6370	0.974	2	115.6370	0.974	2	115.6370	0.974	2	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:1:	3:4:4:1:	4:4:1:1:	C[5]-4:C[5]-4:C-4:H-1:	C[5a]-3:C[5]-4:N[5]-4:H-1:	N[5]-4:C-4:H-1:H-1:	N[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(CCHH)(H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]2H)(N[5]C[5]CH)(H)	C(N[5]C[5]2H)(CC[5]HH)(H)2	N[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]2H)(N[5]C[5]CH)(H){1|N<3>,2|C<3>,2|C<4>,2|O<2>,4|H<1>}	C(N[5]C[5]2H)(CC[5]HH)(H)2	114.5217	0.614	3	114.5217	0.377	3	114.4850	0.333	5	114.4850	0.333	5	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:1:	3:4:4:1:	4:4:1:1:	C[5]-4:C[5]-4:C-4:H-1:	C[5a]-3:C[5]-4:N[5]-4:H-1:	N[5]-4:C-4:H-1:H-1:	N[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(CCHH)(H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(N[5]C[5]CH)(H)	C(N[5]C[5]2H)(CCHH)(H)2	N[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(CCHH)(H){3|C<3>,3|H<1>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(N[5]C[5]CH)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C(N[5]C[5]2H)(CCHH)(H)2	114.4300	0.754	2	114.4300	0.568	2	114.4850	0.333	5	114.4850	0.333	5	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:1:	4:3:4:1:	4:4:4:4:	Ga[5]-4:C[5]-4:C-4:H-1:	N[5]-4:C[5]-3:C-4:H-1:	N[5]-4:C-4:C-4:C-4:	N[5](Ga[5]O[5]OO)(C[5]C[5]CH)(CC3)(H)	C[5](N[5]Ga[5]CH)(C[5]O[5]O)(CH3)(H)	C(N[5]Ga[5]C[5]H)(CHHN)2(CH3)	N[5](Ga[5]O[5]OO)(C[5]C[5]CH)(CC3)(H){1|O<1>}	C[5](N[5]Ga[5]CH)(C[5]O[5]O)(CH3)(H){2|O<2>}	C(N[5]Ga[5]C[5]H)(CHHN)2(CH3)	119.4280	0.000	1	119.4280	0.000	1	119.4280	0.000	1	119.4280	0.000	1	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:1:	4:4:1:1:	3:4:1:1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[5a]-3:N[5]-4:H-1:H-1:	N[5](C[5]C[5]HH)2(CC[5a]HH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2	C(C[5a]N[5a]2)(N[5]C[5]2H)(H)2	N[5](C[5]C[5]HH)2(CC[5a]HH)(H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2{4|H<1>}	C(C[5a]N[5a]2)(N[5]C[5]2H)(H)2	114.0405	2.881	2	114.0405	8.303	2	114.0405	8.303	2	113.4522	2.886	14	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:1:	4:4:1:1:	3:4:1:1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[6a]-3:N[5]-4:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2H)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH)(H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2{1|C<3>,3|H<1>}	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2H)(H)2	112.0360	0.000	1	112.0360	0.000	1	113.3542	2.583	12	113.4522	2.886	14	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:1:	4:4:1:1:	3:4:1:1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[6a]-3:N[5]-4:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2H)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH)(H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2{1|C<3>,3|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2H)(H)2	111.7900	0.585	4	112.0358	0.559	5	113.3542	2.583	12	113.4522	2.886	14	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:1:	4:4:1:1:	3:4:1:1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[6a]-3:N[5]-4:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2H)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH)(H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2{1|C<4>,3|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2H)(H)2	113.0190	0.000	1	112.0358	0.559	5	113.3542	2.583	12	113.4522	2.886	14	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:1:	4:4:1:1:	3:4:1:1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[6a]-3:N[5]-4:H-1:H-1:	N[5](C[5]C[5]HH)2(CC[6a]HH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2H)(H)2	N[5](C[5]C[5]HH)2(CC[6a]HH)(H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2{4|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2H)(H)2	114.6725	1.032	6	114.6725	1.064	6	113.3542	2.583	12	113.4522	2.886	14	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:1:	4:4:1:1:	3:4:4:1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[6a]-3:N[5]-4:B-4:H-1:	N[5](C[5]C[5]HH)2(CC[6a]BH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2H)(BF3)(H)	N[5](C[5]C[5]HH)2(CC[6a]BH)(H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2{4|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2H)(BF3)(H)	114.9228	1.667	4	114.9228	2.778	4	114.9228	2.778	4	114.9012	2.086	5	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:1:	4:4:1:1:	3:4:4:1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[6a]-3:N[5]-4:C-4:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]CH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]CH)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2H)(CH3)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]CH)(H){2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]CH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2H)(CH3)(H)	114.8150	0.000	1	114.8150	0.000	1	114.8150	0.000	1	114.9012	2.086	5	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:1:	4:4:1:1:	3:4:4:4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[6a]-3:N[5]-4:C-4:B-4:	N[5](C[5]C[5]HH)2(CC[6a]BC)(H)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2H)(CCHH)(BF3)	N[5](C[5]C[5]HH)2(CC[6a]BC)(H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2{4|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2H)(CCHH)(BF3)	116.5245	0.310	2	116.5245	0.096	2	116.5245	0.096	2	116.5245	0.096	2	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[3,5]-4:N[5]-4:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5,5]C[5,6a]C[3,5]C[5])(C[5]C[3,5]HH)(CH3)(H)	C[5](C[3,5]C[3,5]C[6a]C[3])(N[5]C[5,5]CH)(H)2	C(N[5]C[5,5]C[5]H)(H)3	N[5](C[5,5]C[5,6a]C[3,5]C[5])(C[5]C[3,5]HH)(CH3)(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[3,5]C[3,5]C[6a]C[3])(N[5]C[5,5]CH)(H)2{1|H<1>,6|C<3>}	C(N[5]C[5,5]C[5]H)(H)3	114.5450	0.000	1	114.5450	0.000	1	114.5450	0.000	1	114.5269	9.934	34	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5,5]C[5,5]C[5,6]H)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]CH)(H)2	C(N[5]C[5,5]C[5]H)(H)3	N[5](C[5,5]C[5,5]C[5,6]H)(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5,5]HH)(N[5]C[5,5]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(N[5]C[5,5]C[5]H)(H)3	113.1230	0.000	1	113.1230	0.000	1	113.1230	0.000	1	114.5269	9.934	34	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:N[5]-4:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(CH3)(H)	C[5](C[5,6]C[5,6,6]O[6]O)(N[5]C[5,6]CH)(H)2	C(N[5]C[5,6]C[5]H)(H)3	N[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(CH3)(H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[5](C[5,6]C[5,6,6]O[6]O)(N[5]C[5,6]CH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6]C[5]H)(H)3	112.3560	0.000	1	112.3560	0.000	1	112.3560	0.000	1	114.5269	9.934	34	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]CH)(H)2	C(N[5]C[5,6]C[5]H)(H)3	N[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CH3)(H){1|C<2>,1|C<3>,1|C<4>,3|H<1>}	C[5](C[5]C[5,6]HH)(N[5]C[5,6]CH)(H)2{1|C<2>,1|C<4>,1|H<1>}	C(N[5]C[5,6]C[5]H)(H)3	111.1180	0.000	1	111.5585	0.388	2	111.7967	0.364	3	114.5269	9.934	34	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]CH)(H)2	C(N[5]C[5,6]C[5]H)(H)3	N[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CH3)(H){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]HH)(N[5]C[5,6]CH)(H)2{2|C<4>,2|H<1>}	C(N[5]C[5,6]C[5]H)(H)3	111.9990	0.000	1	111.5585	0.388	2	111.7967	0.364	3	114.5269	9.934	34	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]CH)(H)2	C(N[5]C[5,6]C[5]H)(H)3	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(H){1|Cl<1>,1|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6]HH)(N[5]C[5,6]CH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C(N[5]C[5,6]C[5]H)(H)3	112.2730	0.000	1	112.2730	0.000	1	111.7967	0.364	3	114.5269	9.934	34	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2	C(N[5]C[5]2H)(H)3	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2{1|C<3>,3|H<1>}	C(N[5]C[5]2H)(H)3	114.8010	0.000	1	113.8986	20.083	7	114.9465	10.857	28	114.5269	9.934	34	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2	C(N[5]C[5]2H)(H)3	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2{1|C<4>,3|H<1>}	C(N[5]C[5]2H)(H)3	113.7482	4.890	6	113.8986	20.083	7	114.9465	10.857	28	114.5269	9.934	34	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5]HO)(N[5]C[5]CH)(H)2	C(N[5]C[5]2H)(H)3	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H){1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]CH)(H)2{1|C<3>,3|H<1>}	C(N[5]C[5]2H)(H)3	114.3490	0.000	1	114.3490	0.000	1	114.9465	10.857	28	114.5269	9.934	34	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2	C(N[5]C[5]2H)(H)3	N[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(CH3)(H){2|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2{1|C<3>,3|H<1>}	C(N[5]C[5]2H)(H)3	113.6715	1.043	2	113.6715	1.088	2	114.9465	10.857	28	114.5269	9.934	34	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5]C[5]HH)2(CH3)(H)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2	C(N[5]C[5]2H)(H)3	N[5](C[5]C[5]HH)2(CH3)(H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2{4|H<1>}	C(N[5]C[5]2H)(H)3	115.7287	3.143	16	115.7287	9.882	16	114.9465	10.857	28	114.5269	9.934	34	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2	C(N[5]C[5]2H)(H)3	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CH3)(H){2|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2{1|C<3>,3|H<1>}	C(N[5]C[5]2H)(H)3	113.9305	0.415	2	113.9305	0.172	2	114.9465	10.857	28	114.5269	9.934	34	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:1:	4:4:1:1:	4:2:1:1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:C-2:H-1:H-1:	N[5](C[5]C[5]HH)2(CCHH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2	C(N[5]C[5]2H)(CC)(H)2	N[5](C[5]C[5]HH)2(CCHH)(H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2{4|H<1>}	C(N[5]C[5]2H)(CC)(H)2	114.0810	2.537	2	114.0810	6.437	2	114.0810	6.437	2	114.0810	6.437	2	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[3,5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:C[6a]-3:H-1:H-1:	N[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HH)(CC[6a]HH)(H)	C[5](C[5]C[3,5]C[6a]H)(N[5]C[3,5]CH)(H)2	C(N[5]C[3,5]C[5]H)(C[6a]C[6a]2)(H)2	N[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HH)(CC[6a]HH)(H){1|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[3,5]C[6a]H)(N[5]C[3,5]CH)(H)2{2|C<3>,3|C<4>}	C(N[5]C[3,5]C[5]H)(C[6a]C[6a]2)(H)2	115.4790	0.000	1	115.4790	0.000	1	115.4790	0.000	1	113.8944	4.457	7	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:C[6a]-3:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CC[6a]HH)(H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]CH)(H)2	C(N[5]C[5,6]C[5]H)(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CC[6a]HH)(H){1|Br<1>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]HH)(N[5]C[5,6]CH)(H)2{1|Br<1>,1|H<1>,2|C<4>}	C(N[5]C[5,6]C[5]H)(C[6a]C[6a]2)(H)2	113.7990	0.000	1	113.7990	0.000	1	113.7990	0.000	1	113.8944	4.457	7	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:C-3:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H)	C[5](C[5]N[5a]C[5]H)(N[5]C[5]CH)(H)2	C(N[5]C[5]2H)(COO)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H){1|N<3>,3|H<1>}	C[5](C[5]N[5a]C[5]H)(N[5]C[5]CH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C(N[5]C[5]2H)(COO)(H)2	113.0780	0.000	1	113.0780	0.000	1	113.0780	0.000	1	113.8944	4.457	7	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:C[5]-3:H-1:H-1:	N[5](C[5]C[5]HH)2(CC[5]HH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2	C(N[5]C[5]2H)(C[5]N[5]2)(H)2	N[5](C[5]C[5]HH)2(CC[5]HH)(H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2{4|H<1>}	C(N[5]C[5]2H)(C[5]N[5]2)(H)2	113.7263	2.795	4	113.7263	7.814	4	113.7263	7.814	4	113.8944	4.457	7	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:1:	4:4:1:1:	4:3:4:1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:C[6a]-3:C-4:H-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CC[6a]CH)(H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]CH)(H)2	C(N[5]C[5,6]C[5]H)(C[6a]C[6a]2)(CH3)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CC[6a]CH)(H){1|C<3>,1|C<4>,4|H<1>}	C[5](C[5]C[5,6]HH)(N[5]C[5,6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C(N[5]C[5,6]C[5]H)(C[6a]C[6a]2)(CH3)(H)	111.9140	0.000	1	111.9140	0.000	1	111.9140	0.000	1	113.6240	1.646	5	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:1:	4:4:1:1:	4:3:4:1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:C-3:C-4:H-1:	N[5](C[5]C[5]HH)2(CCCH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2	C(N[5]C[5]2H)(CC[6a]O)(CCHH)(H)	N[5](C[5]C[5]HH)2(CCCH)(H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2{4|H<1>}	C(N[5]C[5]2H)(CC[6a]O)(CCHH)(H)	114.0515	0.988	4	114.0515	0.976	4	114.0515	0.976	4	113.6240	1.646	5	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,5]-4:C[5]-4:C-4:H-1:	N[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C-4:H-1:H-1:	N[5](C[5,5]C[5]3)(C[5]C[5]HH)(CCHH)(H)	C[5](N[5]C[5,5]CH)(C[5]C[5]HH)(H)2	C(N[5]C[5,5]C[5]H)(CC[6a]HH)(H)2	N[5](C[5,5]C[5]3)(C[5]C[5]HH)(CCHH)(H){1|C<4>,2|C<3>,7|H<1>}	C[5](N[5]C[5,5]CH)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	C(N[5]C[5,5]C[5]H)(CC[6a]HH)(H)2	109.8330	0.000	1	109.8330	0.000	1	109.8330	0.000	1	113.7987	2.794	44	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:C-4:H-1:H-1:	N[5](C[5,6]C[5,6]C[6a]C[6])(C[5]C[5]HH)(CCHH)(H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]CH)(H)2	C(N[5]C[5,6]C[5]H)(CCHH)(H)2	N[5](C[5,6]C[5,6]C[6a]C[6])(C[5]C[5]HH)(CCHH)(H){1|C<4>,1|S<4>,3|C<3>,4|H<1>}	C[5](C[5]C[5,6]HH)(N[5]C[5,6]CH)(H)2{1|C<4>,1|S<4>,2|C<3>}	C(N[5]C[5,6]C[5]H)(CCHH)(H)2	110.1860	0.000	1	110.1860	0.000	1	110.1860	0.000	1	113.7987	2.794	44	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5]HH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2	C(C[5]C[5]2Fe)(N[5]C[5]2H)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5]HH)(H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2{1|C<4>,3|H<1>}	C(C[5]C[5]2Fe)(N[5]C[5]2H)(H)2	113.9900	0.000	1	113.9900	0.000	1	113.9900	0.000	1	113.7987	2.794	44	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[6]-4:N[5]-4:H-1:H-1:	N[5](C[5]C[5]HH)2(CC[6]HH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2	C(C[6]C[6,6a]C[6]H)(N[5]C[5]2H)(H)2	N[5](C[5]C[5]HH)2(CC[6]HH)(H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2{4|H<1>}	C(C[6]C[6,6a]C[6]H)(N[5]C[5]2H)(H)2	113.7805	1.722	2	113.7805	2.965	2	114.0417	4.861	10	113.7987	2.794	44	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[6]-4:N[5]-4:H-1:H-1:	N[5](C[5]C[5]HH)2(CC[6]HH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2	C(C[6]C[6]N[6]H)(N[5]C[5]2H)(H)2	N[5](C[5]C[5]HH)2(CC[6]HH)(H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2{4|H<1>}	C(C[6]C[6]N[6]H)(N[5]C[5]2H)(H)2	114.1690	1.281	2	114.1690	1.642	2	114.0417	4.861	10	113.7987	2.794	44	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[6]-4:N[5]-4:H-1:H-1:	N[5](C[5]C[5]HH)2(CC[6]HH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2	C(C[6]C[6]O[6]C)(N[5]C[5]2H)(H)2	N[5](C[5]C[5]HH)2(CC[6]HH)(H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2{4|H<1>}	C(C[6]C[6]O[6]C)(N[5]C[5]2H)(H)2	114.0863	2.791	6	114.0863	7.792	6	114.0417	4.861	10	113.7987	2.794	44	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:C-4:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H)	C[5](C[5]C[5]HN)(N[5]C[5]CH)(H)2	C(N[5]C[5]2H)(CH3)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H){1|N<3>,3|H<1>}	C[5](C[5]C[5]HN)(N[5]C[5]CH)(H)2{1|C<4>,3|H<1>}	C(N[5]C[5]2H)(CH3)(H)2	112.7520	0.000	1	112.7520	0.000	1	113.9586	1.540	31	113.7987	2.794	44	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:C-4:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]CH)(H)2	C(N[5]C[5]2H)(CCHO)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H){1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]CH)(H)2{1|C<3>,3|H<1>}	C(N[5]C[5]2H)(CCHO)(H)2	113.2970	0.000	1	113.2970	0.000	1	113.9586	1.540	31	113.7987	2.794	44	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:C-4:H-1:H-1:	N[5](C[5]C[5]HH)2(CCHH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2	C(N[5]C[5]2H)(CCHH)(H)2	N[5](C[5]C[5]HH)2(CCHH)(H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2{4|H<1>}	C(N[5]C[5]2H)(CCHH)(H)2	114.4105	2.307	2	114.4105	5.324	2	113.9586	1.540	31	113.7987	2.794	44	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:C-4:H-1:H-1:	N[5](C[5]C[5]HH)2(CCHH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2	C(N[5]C[5]2H)(CClHH)(H)2	N[5](C[5]C[5]HH)2(CCHH)(H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2{4|H<1>}	C(N[5]C[5]2H)(CClHH)(H)2	112.5705	1.552	2	112.5705	2.409	2	113.9586	1.540	31	113.7987	2.794	44	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:C-4:H-1:H-1:	N[5](C[5]C[5]HH)2(CCHH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2	C(N[5]C[5]2H)(CHHN)(H)2	N[5](C[5]C[5]HH)2(CCHH)(H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2{4|H<1>}	C(N[5]C[5]2H)(CHHN)(H)2	115.0652	0.900	4	115.0652	0.810	4	113.9586	1.540	31	113.7987	2.794	44	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:C-4:H-1:H-1:	N[5](C[5]C[5]HH)2(CCHH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2	C(N[5]C[5]2H)(CHHO)(H)2	N[5](C[5]C[5]HH)2(CCHH)(H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2{4|H<1>}	C(N[5]C[5]2H)(CHHO)(H)2	113.6463	1.122	12	113.6463	1.258	12	113.9586	1.540	31	113.7987	2.794	44	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:C-4:H-1:H-1:	N[5](C[5]C[5]HH)2(CCHH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2	C(N[5]C[5]2H)(CN[5]HH)(H)2	N[5](C[5]C[5]HH)2(CCHH)(H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2{4|H<1>}	C(N[5]C[5]2H)(CN[5]HH)(H)2	114.0800	1.595	4	114.0800	2.545	4	113.9586	1.540	31	113.7987	2.794	44	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:C-4:H-1:H-1:	N[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(CCHH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2	C(N[5]C[5]2H)(CCHH)(H)2	N[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(CCHH)(H){3|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2{2|C<3>,2|H<1>}	C(N[5]C[5]2H)(CCHH)(H)2	114.2605	0.105	2	114.2605	0.011	2	113.9586	1.540	31	113.7987	2.794	44	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:C-4:H-1:H-1:	N[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(CCHH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2	C(N[5]C[5]2H)(CC[5]HH)(H)2	N[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(N[5]C[5]2H)(CC[5]HH)(H)2	114.6163	0.627	3	114.6163	0.394	3	113.9586	1.540	31	113.7987	2.794	44	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:C-4:C-4:H-1:	N[5](C[5]C[5]HH)2(CCCH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2	C(N[5]C[5]2H)(CC[6a]CO)(CH3)(H)	N[5](C[5]C[5]HH)2(CCCH)(H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2{4|H<1>}	C(N[5]C[5]2H)(CC[6a]CO)(CH3)(H)	116.5320	3.588	2	116.5320	12.873	2	115.5083	5.689	4	115.7292	3.690	6	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:C-4:C-4:H-1:	N[5](C[5]C[5]HH)2(CCCH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2	C(N[5]C[5]2H)(CC[6a]HO)(CH3)(H)	N[5](C[5]C[5]HH)2(CCCH)(H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2{4|H<1>}	C(N[5]C[5]2H)(CC[6a]HO)(CH3)(H)	114.4845	0.045	2	114.4845	0.002	2	115.5083	5.689	4	115.7292	3.690	6	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:P-4:P-4:H-1:	N[5](C[5]C[5]HH)2(CHPP)(H)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2	C(N[5]C[5]2H)(PO3)2(H)	N[5](C[5]C[5]HH)2(CHPP)(H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2{4|H<1>}	C(N[5]C[5]2H)(PO3)2(H)	116.1710	0.892	2	116.1710	0.796	2	116.1710	0.796	2	115.7292	3.690	6	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:1:	4:4:3:1:	3:4:1:1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:C-3:H-1:	C[6a]-3:N[5]-4:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(COO)(H)	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2H)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH)(H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(COO)(H){4|H<1>}	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2H)(H)2	115.8580	0.000	1	115.8580	0.000	1	114.5192	1.212	5	114.5192	1.212	5	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:1:	4:4:3:1:	3:4:1:1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:C-3:H-1:	C[6a]-3:N[5]-4:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(COO)(H)	C(C[6a]C[6a]2)(N[5]C[5]2H)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH)(H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(COO)(H){4|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2H)(H)2	114.1845	0.932	4	114.1845	0.869	4	114.5192	1.212	5	114.5192	1.212	5	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:C-3:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(COO)(H)	C(N[5]C[5]2H)(H)3	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H){1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(COO)(H){1|O<2>,3|H<1>}	C(N[5]C[5]2H)(H)3	114.3590	0.000	1	114.3950	0.003	2	114.3950	0.003	2	114.1525	0.147	4	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:C-3:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(COO)(H)	C(N[5]C[5]2H)(H)3	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(COO)(H){4|H<1>}	C(N[5]C[5]2H)(H)3	114.4310	0.000	1	114.3950	0.003	2	114.3950	0.003	2	114.1525	0.147	4	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:C[6]-3:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(C[6]C[6]2)(H)	C(N[5]C[5]2H)(H)3	N[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(CH3)(H){2|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(C[6]C[6]2)(H){1|C<3>,1|N<3>,6|H<1>}	C(N[5]C[5]2H)(H)3	113.9100	0.450	2	113.9100	0.202	2	113.9100	0.202	2	114.1525	0.147	4	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:1:	4:4:3:1:	4:4:1:1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:C-3:H-1:	N[5]-4:C-4:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(COO)(H)	C(N[5]C[5]2H)(CCHO)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H){1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(COO)(H){1|O<2>,3|H<1>}	C(N[5]C[5]2H)(CCHO)(H)2	114.2100	0.000	1	114.2100	0.000	1	113.6945	0.531	2	113.6945	0.531	2	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:1:	4:4:3:1:	4:4:1:1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:C-3:H-1:	N[5]-4:C-4:H-1:H-1:	N[5](C[5]C[5]CH)2(CCHH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]CH)(COO)(H)	C(N[5]C[5]2H)(CCHH)(H)2	N[5](C[5]C[5]CH)2(CCHH)(H){2|H<1>,2|O<2>}	C[5](C[5]C[5]HO)(N[5]C[5]CH)(COO)(H){1|C<4>,1|O<2>,2|H<1>}	C(N[5]C[5]2H)(CCHH)(H)2	113.1790	0.000	1	113.1790	0.000	1	113.6945	0.531	2	113.6945	0.531	2	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:1:	4:4:4:1:	3:4:1:1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:C-4:H-1:	C[6a]-3:N[5]-4:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(CCHS)(H)	C(C[6a]C[6a]2)(N[5]C[5]2H)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH)(H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(CCHS)(H){4|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2H)(H)2	111.1320	0.000	1	111.1320	0.000	1	111.1320	0.000	1	111.1320	0.000	1	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:1:	4:4:4:1:	3:4:4:1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:C-4:H-1:	C[6a]-3:N[5]-4:C-4:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]CH)(H)	C[5](C[5]C[5]CH)(N[5]C[5]CH)(CCHH)(H)	C(C[6a]C[6a]2)(N[5]C[5]2H)(CH3)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]CH)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]CH)(CCHH)(H){1|C<3>,3|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2H)(CH3)(H)	112.1150	0.000	1	112.1150	0.000	1	112.1150	0.000	1	112.1150	0.000	1	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:C-4:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(CCHH)(H)	C(N[5]C[5]2H)(H)3	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(CCHH)(H){4|H<1>}	C(N[5]C[5]2H)(H)3	113.8750	1.028	4	113.8750	1.057	4	113.6777	0.734	6	113.6777	0.734	6	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:C-4:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(CC[5a]HH)(H)	C(N[5]C[5]2H)(H)3	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(CC[5a]HH)(H){4|H<1>}	C(N[5]C[5]2H)(H)3	113.4120	0.000	1	113.4120	0.000	1	113.6777	0.734	6	113.6777	0.734	6	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:C-4:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(CHHO)(H)	C(N[5]C[5]2H)(H)3	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(CHHO)(H){4|H<1>}	C(N[5]C[5]2H)(H)3	113.1540	0.000	1	113.1540	0.000	1	113.6777	0.734	6	113.6777	0.734	6	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:1:	4:4:4:1:	4:3:1:1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:C-4:H-1:	N[5]-4:C-3:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(CHHN)(H)	C(N[5]C[5]2H)(COO)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H){1|N<3>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(CHHN)(H){1|N<3>,3|H<1>}	C(N[5]C[5]2H)(COO)(H)2	114.9180	0.000	1	114.9180	0.000	1	114.9180	0.000	1	114.9180	0.000	1	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:C-4:H-1:	N[5]-4:C-4:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(CCHH)(H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]CH)(CHHO)(H)	C(N[5]C[5,6]C[5]H)(CCHH)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(CCHH)(H){3|H<1>,4|C<4>}	C[5](C[5]C[5,6]HH)(N[5]C[5,6]CH)(CHHO)(H){2|C<4>,2|H<1>}	C(N[5]C[5,6]C[5]H)(CCHH)(H)2	114.6870	0.000	1	114.6870	0.000	1	114.6870	0.000	1	115.0500	5.810	4	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:C-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5]HH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(CHHO)(H)	C(C[5]C[5]2Fe)(N[5]C[5]2H)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5]HH)(H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(CHHO)(H){4|H<1>}	C(C[5]C[5]2Fe)(N[5]C[5]2H)(H)2	114.5820	0.000	1	114.5820	0.000	1	114.5820	0.000	1	115.0500	5.810	4	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:C-4:H-1:	N[5]-4:C-4:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(CHHO)(H)	C(N[5]C[5]2H)(CH3)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H){1|N<3>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(CHHO)(H){1|N<3>,3|H<1>}	C(N[5]C[5]2H)(CH3)(H)2	112.5730	0.000	1	112.5730	0.000	1	115.4655	16.733	2	115.0500	5.810	4	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:C-4:H-1:	N[5]-4:C-4:H-1:H-1:	N[5](C[5]C[5]CH)2(CCHH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]CH)(CHHO)(H)	C(N[5]C[5]2H)(CCHH)(H)2	N[5](C[5]C[5]CH)2(CCHH)(H){2|H<1>,2|O<2>}	C[5](C[5]C[5]HO)(N[5]C[5]CH)(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	C(N[5]C[5]2H)(CCHH)(H)2	118.3580	0.000	1	118.3580	0.000	1	115.4655	16.733	2	115.0500	5.810	4	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:N[5]-4:C-4:H-1:	N[5]-4:C-4:C-4:C-4:	N[5](C[5]C[5,5]CH)2(CC3)(H)	C[5](C[5,5]C[5,5]C[5]Fe)(N[5]C[5]CH)(CBHH)(H)	C(N[5]C[5]2H)(CH3)3	N[5](C[5]C[5,5]CH)2(CC3)(H){1|Fe<10>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]Fe)(N[5]C[5]CH)(CBHH)(H){2|H<1>,3|C<4>}	C(N[5]C[5]2H)(CH3)3	115.2420	0.000	1	115.2420	0.000	1	114.1025	2.597	2	114.1025	2.597	2	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:N[5]-4:C-4:H-1:	N[5]-4:C-4:C-4:C-4:	N[5](C[5]C[5,5]CH)2(CC3)(H)	C[5](C[5,5]C[5,5]C[5]Fe)(N[5]C[5]CH)(CCHH)(H)	C(N[5]C[5]2H)(CH3)3	N[5](C[5]C[5,5]CH)2(CC3)(H){1|Fe<10>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]Fe)(N[5]C[5]CH)(CCHH)(H){2|H<1>,3|C<4>}	C(N[5]C[5]2H)(CH3)3	112.9630	0.000	1	112.9630	0.000	1	114.1025	2.597	2	114.1025	2.597	2	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[5,5]-4:C[5]-4:C-4:O-2:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(CH3)(OH)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]CO)(H)2	C(N[5]C[5,5]C[5]O)(H)3	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(CH3)(OH){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5]HH)(N[5]C[5,5]CO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C(N[5]C[5,5]C[5]O)(H)3	112.3585	1.036	2	112.3585	1.073	2	112.3585	1.073	2	112.3585	1.073	2	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:2:	4:4:3:1:	4:4:1:1:	C[5,5]-4:C[5]-4:C-4:O-2:	C[5]-4:N[5]-4:C-3:H-1:	N[5]-4:C-4:H-1:H-1:	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(CCHH)(OCo)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]CO)(CNO)(H)	C(N[5]C[5,5]C[5]O)(CCHH)(H)2	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(CCHH)(OCo){2|C<4>,5|H<1>}	C[5](C[5]C[5,5]HH)(N[5]C[5,5]CO)(CNO)(H){2|C<4>,2|H<1>}	C(N[5]C[5,5]C[5]O)(CCHH)(H)2	109.7730	0.670	2	109.7730	0.449	2	109.7730	0.449	2	109.7730	0.449	2	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	B[5,5]-4:C[5]-4:C-4:C-4:	C[5,6a]-3:N[5]-4:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](B[5,5]C[5,6a]3)(C[5]C[5,6a]HH)(CH3)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5,5]CC)(H)2	C(N[5]B[5,5]C[5]C)(H)3	N[5](B[5,5]C[5,6a]3)(C[5]C[5,6a]HH)(CH3)2{6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5,5]CC)(H)2{1|H<1>,4|C<3>}	C(N[5]B[5,5]C[5]C)(H)3	109.6970	1.872	2	109.6970	3.506	2	109.6022	1.333	4	110.0287	1.434	40	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	B[5,5]-4:C[5]-4:C-4:C-4:	C[5,6a]-3:N[5]-4:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](B[5,5]C[5,6a]O[5]2)(C[5]C[5,6a]HH)(CH3)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5,5]CC)(H)2	C(N[5]B[5,5]C[5]C)(H)3	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>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5,5]CC)(H)2{1|H<1>,2|C<3>,2|O<2>}	C(N[5]B[5,5]C[5]C)(H)3	109.5075	0.675	2	109.5075	0.456	2	109.6022	1.333	4	110.0287	1.434	40	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	B[5,6]-4:C[5]-4:C-4:C-4:	C[5,6a]-3:N[5]-4:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](B[5,6]C[5,6a]O[6]2)(C[5]C[5,6a]HH)(CC[5]HH)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5,6]CC)(H)2	C(N[5]B[5,6]C[5]C)(H)3	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>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5,6]CC)(H)2{1|H<1>,2|C<3>,2|O<2>}	C(N[5]B[5,6]C[5]C)(H)3	109.5770	0.517	3	109.5770	0.267	3	110.0919	1.222	9	110.0287	1.434	40	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	B[5,6]-4:C[5]-4:C-4:C-4:	C[5,6a]-3:N[5]-4:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](B[5,6]C[5,6a]O[6]2)(C[5]C[5,6a]HH)(CH3)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5,6]CC)(H)2	C(N[5]B[5,6]C[5]C)(H)3	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>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5,6]CC)(H)2{1|H<1>,2|C<3>,2|O<2>}	C(N[5]B[5,6]C[5]C)(H)3	110.3252	1.550	4	110.3493	1.610	6	110.0919	1.222	9	110.0287	1.434	40	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	B[5,6]-4:C[5]-4:C-4:C-4:	C[5,6a]-3:N[5]-4:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](B[5,6]C[5,6a]O[6]2)(C[5]C[5,6a]HH)(CH3)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5,6]CC)(H)2	C(N[5]B[5,6]C[5]C)(H)3	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>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5,6]CC)(H)2{1|H<1>,2|C<3>,2|O<2>}	C(N[5]B[5,6]C[5]C)(H)3	110.3975	0.916	2	110.3493	1.610	6	110.0919	1.222	9	110.0287	1.434	40	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	B[5,6a]-4:C[5]-4:C-4:C-4:	C[5,6a]-3:N[5]-4:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](B[5,6a]C[5,6a]O[6a]2)(C[5]C[5,6a]HH)(CH3)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5,6a]CC)(H)2	C(N[5]B[5,6a]C[5]C)(H)3	N[5](B[5,6a]C[5,6a]O[6a]2)(C[5]C[5,6a]HH)(CH3)2{2|B<3>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5,6a]CC)(H)2{1|H<1>,2|C<3>,2|O<2>}	C(N[5]B[5,6a]C[5]C)(H)3	110.0857	1.077	6	110.0857	1.159	6	110.0857	1.159	6	110.0287	1.434	40	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	B[5]-4:C[5]-4:C-4:C-4:	C[5,6a]-3:N[5]-4:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](B[5]C[5,6a]Cl2)(C[5]C[5,6a]HH)(CH3)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]CC)(H)2	C(N[5]B[5]C[5]C)(H)3	N[5](B[5]C[5,6a]Cl2)(C[5]C[5,6a]HH)(CH3)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]CC)(H)2{2|Cl<1>,1|H<1>,2|C<3>}	C(N[5]B[5]C[5]C)(H)3	109.5735	2.614	2	109.5735	6.834	2	109.5735	6.834	2	110.0287	1.434	40	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[5]-4:C[5]-4:B-4:C-4:	C[5,6a]-3:N[5]-4:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(BH3)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]BC)(H)2	C(N[5]C[5]2B)(H)3	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(BH3)(CH3){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]BC)(H)2{1|C<4>,2|C<3>,2|H<1>}	C(N[5]C[5]2B)(H)3	110.8020	0.000	1	110.8020	0.000	1	108.9193	3.398	3	110.0287	1.434	40	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[5]-4:C[5]-4:B-4:C-4:	C[5,6a]-3:N[5]-4:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5]C[5,6a]SiH)(C[5]C[5,6a]HH)(BH3)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]BC)(H)2	C(N[5]C[5]2B)(H)3	N[5](C[5]C[5,6a]SiH)(C[5]C[5,6a]HH)(BH3)(CH3){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]BC)(H)2{1|Si<4>,2|C<3>,2|H<1>}	C(N[5]C[5]2B)(H)3	107.9780	1.216	2	107.9780	1.479	2	108.9193	3.398	3	110.0287	1.434	40	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5,6a]-3:N[5]-4:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CH3)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(H)2	C(N[5]C[5]2C)(H)3	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CH3)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	C(N[5]C[5]2C)(H)3	109.8930	0.751	2	109.8930	0.564	2	109.8930	0.564	2	110.0287	1.434	40	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	Ga[5,5]-4:C[5]-4:C-4:C-4:	C[5,6a]-3:N[5]-4:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](Ga[5,5]C[5,5a]2C[5,6a])(C[5]C[5,6a]HH)(CH3)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Ga[5,5]CC)(H)2	C(N[5]Ga[5,5]C[5]C)(H)3	N[5](Ga[5,5]C[5,5a]2C[5,6a])(C[5]C[5,6a]HH)(CH3)2{6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Ga[5,5]CC)(H)2{1|H<1>,4|C<3>}	C(N[5]Ga[5,5]C[5]C)(H)3	110.7742	1.726	4	110.7742	2.978	4	110.6260	1.582	8	110.0287	1.434	40	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	Ga[5,5]-4:C[5]-4:C-4:C-4:	C[5,6a]-3:N[5]-4:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](Ga[5,5]C[5,6a]3)(C[5]C[5,6a]HH)(CH3)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Ga[5,5]CC)(H)2	C(N[5]Ga[5,5]C[5]C)(H)3	N[5](Ga[5,5]C[5,6a]3)(C[5]C[5,6a]HH)(CH3)2{6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Ga[5,5]CC)(H)2{1|H<1>,4|C<3>}	C(N[5]Ga[5,5]C[5]C)(H)3	110.4778	0.809	4	110.4778	0.655	4	110.6260	1.582	8	110.0287	1.434	40	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	Ga[5]-4:C[5]-4:C-4:C-4:	C[5,6a]-3:N[5]-4:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](Ga[5]C[5,6a]C[6a]2)(C[5]C[5,6a]HH)(CH3)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Ga[5]CC)(H)2	C(N[5]Ga[5]C[5]C)(H)3	N[5](Ga[5]C[5,6a]C[6a]2)(C[5]C[5,6a]HH)(CH3)2{6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Ga[5]CC)(H)2{1|H<1>,4|C<3>}	C(N[5]Ga[5]C[5]C)(H)3	109.5600	0.443	2	109.5600	0.196	2	109.8948	0.685	4	110.0287	1.434	40	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	Ga[5]-4:C[5]-4:C-4:C-4:	C[5,6a]-3:N[5]-4:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](Ga[5]C[5,6a]Cl2)(C[5]C[5,6a]HH)(CH3)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Ga[5]CC)(H)2	C(N[5]Ga[5]C[5]C)(H)3	N[5](Ga[5]C[5,6a]Cl2)(C[5]C[5,6a]HH)(CH3)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Ga[5]CC)(H)2{2|Cl<1>,1|H<1>,2|C<3>}	C(N[5]Ga[5]C[5]C)(H)3	110.2295	1.187	2	110.2295	1.410	2	109.8948	0.685	4	110.0287	1.434	40	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	In[5,5]-4:C[5]-4:C-4:C-4:	C[5,6a]-3:N[5]-4:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](In[5,5]C[5,6a]3)(C[5]C[5,6a]HH)(CH3)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]In[5,5]CC)(H)2	C(N[5]In[5,5]C[5]C)(H)3	N[5](In[5,5]C[5,6a]3)(C[5]C[5,6a]HH)(CH3)2{6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]In[5,5]CC)(H)2{1|H<1>,4|C<3>}	C(N[5]In[5,5]C[5]C)(H)3	110.5600	0.779	2	110.5600	0.607	2	110.5600	0.607	2	110.0287	1.434	40	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:4:	3:4:1:1:	4:4:1:1:	B[5,6]-4:C[5]-4:C-4:C-4:	C[5,6a]-3:N[5]-4:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	N[5](B[5,6]C[5,6a]O[6]2)(C[5]C[5,6a]HH)(CC[5]HH)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5,6]CC)(H)2	C(N[5]B[5,6]C[5]C)(C[5]C[5]2Fe)(H)2	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>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5,6]CC)(H)2{1|H<1>,2|C<3>,2|O<2>}	C(N[5]B[5,6]C[5]C)(C[5]C[5]2Fe)(H)2	112.5857	0.499	3	112.5857	0.249	3	112.5857	0.249	3	112.5857	0.249	3	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:4:	3:4:4:1:	4:1:1:1:	B[5]-4:C[5]-4:C-4:C-4:	C[5,6a]-3:N[5]-4:C-4:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](B[5]C[5,6a]C[6]2)(C[5]C[5,6a]CH)(CH3)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]CC)(CH3)(H)	C(N[5]B[5]C[5]C)(H)3	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>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]CC)(CH3)(H){1|H<1>,2|C<3>,2|C<4>}	C(N[5]B[5]C[5]C)(H)3	109.8620	0.721	2	109.8620	0.520	2	110.4981	0.835	14	110.5715	3.672	19	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:4:	3:4:4:1:	4:1:1:1:	B[5]-4:C[5]-4:C-4:C-4:	C[5,6a]-3:N[5]-4:C-4:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]CH)(CH3)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]CC)(CH3)(H)	C(N[5]B[5]C[5]C)(H)3	N[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]CH)(CH3)2{6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]CC)(CH3)(H){1|H<1>,4|C<3>}	C(N[5]B[5]C[5]C)(H)3	109.8512	0.238	4	109.8512	0.057	4	110.4981	0.835	14	110.5715	3.672	19	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:4:	3:4:4:1:	4:1:1:1:	B[5]-4:C[5]-4:C-4:C-4:	C[5,6a]-3:N[5]-4:C-4:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](B[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(CH3)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]CC)(CH3)(H)	C(N[5]B[5]C[5]C)(H)3	N[5](B[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(CH3)2{4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]CC)(CH3)(H){2|H<1>,3|C<3>}	C(N[5]B[5]C[5]C)(H)3	111.0310	0.642	2	111.0310	0.412	2	110.4981	0.835	14	110.5715	3.672	19	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:4:	3:4:4:1:	4:1:1:1:	B[5]-4:C[5]-4:C-4:C-4:	C[5,6a]-3:N[5]-4:C-4:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](B[5]C[5,6a]Cl2)(C[5]C[5,6a]CH)(CH3)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]CC)(CH3)(H)	C(N[5]B[5]C[5]C)(H)3	N[5](B[5]C[5,6a]Cl2)(C[5]C[5,6a]CH)(CH3)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]CC)(CH3)(H){2|Cl<1>,1|H<1>,2|C<3>}	C(N[5]B[5]C[5]C)(H)3	110.9637	1.039	6	110.9637	1.080	6	110.4981	0.835	14	110.5715	3.672	19	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:4:	3:4:4:1:	4:1:1:1:	C[5]-4:C[5]-4:B-4:C-4:	C[5,6a]-3:N[5]-4:C-4:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(BH3)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]BC)(CH3)(H)	C(N[5]C[5]2B)(H)3	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(BH3)(CH3){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]BC)(CH3)(H){2|C<3>,3|H<1>}	C(N[5]C[5]2B)(H)3	110.8780	0.000	1	110.8780	0.000	1	110.8780	0.000	1	110.5715	3.672	19	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:4:	3:4:4:1:	4:1:1:1:	C[5]-4:C[5]-4:B-4:C-4:	C[5,6a]-3:N[5]-4:Si-4:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5]C[5,6a]SiH)(C[5]C[5,6a]HH)(BH3)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]BC)(SiC3)(H)	C(N[5]C[5]2B)(H)3	N[5](C[5]C[5,6a]SiH)(C[5]C[5,6a]HH)(BH3)(CH3){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]BC)(SiC3)(H){2|C<3>,3|H<1>}	C(N[5]C[5]2B)(H)3	109.2505	1.916	2	109.2505	3.669	2	109.2505	3.669	2	110.5715	3.672	19	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:4:	3:4:4:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5,6a]-3:N[5]-4:C-4:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CH3)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(CCHH)(H)	C(N[5]C[5]2C)(H)3	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CH3)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(CCHH)(H){2|C<3>,3|H<1>}	C(N[5]C[5]2C)(H)3	112.2530	6.501	2	112.2530	42.265	2	112.2530	42.265	2	110.5715	3.672	19	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	B[5]-4:C[5]-4:C-4:C-4:	N[5]-4:C[5]-3:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](B[5]C[5]HH)(C[5]C[5]HH)(CC[6a]HH)(CH3)	C[5](N[5]B[5]CC)(C[5]C[5]C)(H)2	C(N[5]B[5]C[5]C)(H)3	N[5](B[5]C[5]HH)(C[5]C[5]HH)(CC[6a]HH)(CH3){1|C<4>,1|H<1>}	C[5](N[5]B[5]CC)(C[5]C[5]C)(H)2{3|H<1>}	C(N[5]B[5]C[5]C)(H)3	108.4970	0.000	1	108.4970	0.000	1	108.4970	0.000	1	109.6990	1.084	3	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[5,6]-4:C[5]-4:C-4:C-4:	N[5]-4:C[5]-3:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCHH)(CH3)	C[5](N[5]C[5,6]CC)(C[5]C[5,6]C)(H)2	C(N[5]C[5,6]C[5]C)(H)3	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCHH)(CH3){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5](N[5]C[5,6]CC)(C[5]C[5,6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(N[5]C[5,6]C[5]C)(H)3	110.3000	0.000	2	110.3000	0.000	2	110.3000	0.000	2	109.6990	1.084	3	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:4:	4:3:1:1:	4:3:1:1:	B[5]-4:C[5]-4:C-4:C-4:	N[5]-4:C[5]-3:H-1:H-1:	N[5]-4:C[6a]-3:H-1:H-1:	N[5](B[5]C[5]HH)(C[5]C[5]HH)(CC[6a]HH)(CH3)	C[5](N[5]B[5]CC)(C[5]C[5]C)(H)2	C(N[5]B[5]C[5]C)(C[6a]C[6a]2)(H)2	N[5](B[5]C[5]HH)(C[5]C[5]HH)(CC[6a]HH)(CH3){1|C<4>,1|H<1>}	C[5](N[5]B[5]CC)(C[5]C[5]C)(H)2{3|H<1>}	C(N[5]B[5]C[5]C)(C[6a]C[6a]2)(H)2	108.3820	0.000	1	108.3820	0.000	1	108.3820	0.000	1	108.3820	0.000	1	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:4:	4:3:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:C-4:C-4:	N[5]-4:C[5]-3:H-1:H-1:	N[5]-4:C-4:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCHH)(CH3)	C[5](N[5]C[5,6]CC)(C[5]C[5,6]C)(H)2	C(N[5]C[5,6]C[5]C)(CC[5,5,6]HH)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCHH)(CH3){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5](N[5]C[5,6]CC)(C[5]C[5,6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(N[5]C[5,6]C[5]C)(CC[5,5,6]HH)(H)2	110.8650	0.000	2	110.8650	0.000	2	110.8650	0.000	2	110.8650	0.000	2	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:4:	4:3:4:1:	4:1:1:1:	B[5,6a]-4:C[5]-4:C-4:C-4:	N[5]-4:C[5]-3:C-4:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](B[5,6a]C[6a,6a]N[5,6a]O)(C[5]C[5]CH)(CH3)2	C[5](N[5]B[5,6a]CC)(C[5]N[5,6a]O)(CC[6a]HH)(H)	C(N[5]B[5,6a]C[5]C)(H)3	N[5](B[5,6a]C[6a,6a]N[5,6a]O)(C[5]C[5]CH)(CH3)2{1|N<2>,1|O<1>,2|C<3>}	C[5](N[5]B[5,6a]CC)(C[5]N[5,6a]O)(CC[6a]HH)(H){1|C<3>,1|N<2>,1|O<2>}	C(N[5]B[5,6a]C[5]C)(H)3	110.7340	0.000	1	110.7340	0.000	1	110.7340	0.000	1	110.7340	0.000	1	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:4:	4:4:1:1:	3:4:1:1:	C[5]-4:C[5]-4:C-4:B-4:	C[5]-4:N[5]-4:H-1:H-1:	C[6a]-3:N[5]-4:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH)(BH3)	C[5](C[5]C[5]HH)(N[5]C[5]BC)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2B)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH)(BH3){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]BC)(H)2{1|C<4>,3|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2B)(H)2	110.8130	0.000	1	110.8130	0.000	1	110.8130	0.000	1	112.2801	2.585	11	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:4:	4:4:1:1:	3:4:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:N[5]-4:H-1:H-1:	C[6a]-3:N[5]-4:H-1:H-1:	N[5](C[5]C[5]HH)2(CC[5,6]HH)(CC[6a]HH)	C[5](C[5]C[5]HH)(N[5]C[5]CC)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2C)(H)2	N[5](C[5]C[5]HH)2(CC[5,6]HH)(CC[6a]HH){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CC)(H)2{4|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2C)(H)2	112.3520	0.813	4	112.3520	0.661	4	112.4268	2.609	10	112.2801	2.585	11	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:4:	4:4:1:1:	3:4:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:N[5]-4:H-1:H-1:	C[6a]-3:N[5]-4:H-1:H-1:	N[5](C[5]C[5]HH)2(CC[6a]HH)(CCHH)	C[5](C[5]C[5]HH)(N[5]C[5]CC)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2C)(H)2	N[5](C[5]C[5]HH)2(CC[6a]HH)(CCHH){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CC)(H)2{4|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2C)(H)2	112.4767	2.072	6	112.4767	4.292	6	112.4268	2.609	10	112.2801	2.585	11	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	B[5,5]-4:C[5]-4:C-4:C-4:	N[5]-4:C[5]-4:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](B[5,5]C[5,6a]O[5]2)(C[5]C[5]HH)(CH3)2	C[5](N[5]B[5,5]CC)(C[5]O[5]HH)(H)2	C(N[5]B[5,5]C[5]C)(H)3	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>}	C[5](N[5]B[5,5]CC)(C[5]O[5]HH)(H)2{1|C<3>,1|O<2>}	C(N[5]B[5,5]C[5]C)(H)3	110.6227	0.723	4	110.6227	0.523	4	110.8723	0.590	6	110.2877	3.609	198	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	B[5,5]-4:C[5]-4:C-4:C-4:	N[5]-4:C[5]-4:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](B[5,5]O[5]3)(C[5]C[5]HH)(CH3)2	C[5](N[5]B[5,5]CC)(C[5]O[5]CH)(H)2	C(N[5]B[5,5]C[5]C)(H)3	N[5](B[5,5]O[5]3)(C[5]C[5]HH)(CH3)2{1|H<1>,3|C<4>}	C[5](N[5]B[5,5]CC)(C[5]O[5]CH)(H)2{2|O<2>}	C(N[5]B[5,5]C[5]C)(H)3	111.3715	0.795	2	111.3715	0.633	2	110.8723	0.590	6	110.2877	3.609	198	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	B[5,6,6]-4:C[5]-4:C-4:C-4:	N[5]-4:C[5]-4:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](B[5,6,6]C[6,6]2C[5])(C[5]C[5]HH)(CH3)2	C[5](N[5]B[5,6,6]CC)(C[5]C[5]HH)(H)2	C(N[5]B[5,6,6]C[5]C)(H)3	N[5](B[5,6,6]C[6,6]2C[5])(C[5]C[5]HH)(CH3)2{4|C<4>,6|H<1>}	C[5](N[5]B[5,6,6]CC)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	C(N[5]B[5,6,6]C[5]C)(H)3	108.4090	1.263	2	108.4090	1.595	2	108.4090	1.595	2	110.2877	3.609	198	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5]-4:C[5]-4:B-4:C-4:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5]C[5]HH)2(BCHH)(CH3)	C[5](C[5]C[5]HH)(N[5]C[5]BC)(H)2	C(N[5]C[5]2B)(H)3	N[5](C[5]C[5]HH)2(BCHH)(CH3){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]BC)(H)2{4|H<1>}	C(N[5]C[5]2B)(H)3	107.9950	3.006	4	107.9950	9.037	4	107.9950	9.037	4	110.2877	3.609	198	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5,5,6,6]-4:N[5]-4:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5]C[5,5,6,6]HH)2(CCHH)(CH3)	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(N[5]C[5]CC)(H)2	C(N[5]C[5]2C)(H)3	N[5](C[5]C[5,5,6,6]HH)2(CCHH)(CH3){4|C<3>}	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(N[5]C[5]CC)(H)2{2|H<1>,6|C<3>}	C(N[5]C[5]2C)(H)3	111.0905	0.977	4	111.0905	0.954	4	111.0905	0.954	4	110.2877	3.609	198	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5,5]-4:N[5]-4:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5]C[5,5]HH)(C[5]C[5]HH)(CH3)2	C[5](C[5,5]C[5]2S[5])(N[5]C[5]CC)(H)2	C(N[5]C[5]2C)(H)3	N[5](C[5]C[5,5]HH)(C[5]C[5]HH)(CH3)2{1|H<1>,1|S<2>,2|C<3>}	C[5](C[5,5]C[5]2S[5])(N[5]C[5]CC)(H)2{1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C(N[5]C[5]2C)(H)3	111.3045	0.482	2	111.3045	0.232	2	111.3045	0.232	2	110.2877	3.609	198	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5,6]-4:N[5]-4:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(CH3)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]CC)(H)2	C(N[5]C[5]2C)(H)3	N[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(CH3)2{2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]CC)(H)2{3|C<4>,4|H<1>}	C(N[5]C[5]2C)(H)3	109.4715	1.889	2	109.4715	3.567	2	109.4715	3.567	2	110.2877	3.609	198	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5]C[5,5]HH)(C[5]C[5]HH)(CH3)2	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]CC)(H)2	C(N[5]C[5]2C)(H)3	N[5](C[5]C[5,5]HH)(C[5]C[5]HH)(CH3)2{1|H<1>,1|S<2>,2|C<3>}	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]CC)(H)2{1|S<2>,2|H<1>,3|C<3>}	C(N[5]C[5]2C)(H)3	110.4815	0.879	2	110.4815	0.773	2	110.3236	3.815	162	110.2877	3.609	198	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)2	C[5](C[5]C[5]HH)(N[5]C[5]CC)(H)2	C(N[5]C[5]2C)(H)3	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)2{1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CC)(H)2{1|C<3>,1|O<2>,2|H<1>}	C(N[5]C[5]2C)(H)3	109.6360	0.964	2	109.6360	0.930	2	110.3236	3.815	162	110.2877	3.609	198	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CSiHH)(CH3)	C[5](C[5]C[5]HH)(N[5]C[5]CC)(H)2	C(N[5]C[5]2C)(H)3	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CSiHH)(CH3){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CC)(H)2{1|C<4>,3|H<1>}	C(N[5]C[5]2C)(H)3	109.8690	0.844	2	109.8690	0.713	2	110.3236	3.815	162	110.2877	3.609	198	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]HH)(CH3)2	C[5](C[5]N[5]HH)(N[5]C[5]CC)(H)2	C(N[5]C[5]2C)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]HH)(CH3)2{2|C<4>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]CC)(H)2{2|C<4>,2|H<1>}	C(N[5]C[5]2C)(H)3	111.1734	0.995	8	111.1734	0.989	8	110.3236	3.815	162	110.2877	3.609	198	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5]C[5]HH)2(CCHH)(CH3)	C[5](C[5]C[5]HH)(N[5]C[5]CC)(H)2	C(N[5]C[5]2C)(H)3	N[5](C[5]C[5]HH)2(CCHH)(CH3){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CC)(H)2{4|H<1>}	C(N[5]C[5]2C)(H)3	109.8762	2.254	96	109.8762	5.081	96	110.3236	3.815	162	110.2877	3.609	198	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5]C[5]HH)2(CH3)2	C[5](C[5]C[5]FH)(N[5]C[5]CC)(H)2	C(N[5]C[5]2C)(H)3	N[5](C[5]C[5]HH)2(CH3)2{1|F<1>,3|H<1>}	C[5](C[5]C[5]FH)(N[5]C[5]CC)(H)2{4|H<1>}	C(N[5]C[5]2C)(H)3	109.7277	1.555	6	109.7277	2.419	6	110.3236	3.815	162	110.2877	3.609	198	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5]C[5]HH)2(CH3)2	C[5](C[5]C[5]HH)(N[5]C[5]CC)(H)2	C(N[5]C[5]2C)(H)3	N[5](C[5]C[5]HH)2(CH3)2{1|F<1>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CC)(H)2{1|F<1>,3|H<1>}	C(N[5]C[5]2C)(H)3	111.0043	1.297	6	111.2299	0.973	46	110.3236	3.815	162	110.2877	3.609	198	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5]C[5]HH)2(CH3)2	C[5](C[5]C[5]HH)(N[5]C[5]CC)(H)2	C(N[5]C[5]2C)(H)3	N[5](C[5]C[5]HH)2(CH3)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CC)(H)2{4|H<1>}	C(N[5]C[5]2C)(H)3	111.2637	0.948	40	111.2299	0.973	46	110.3236	3.815	162	110.2877	3.609	198	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	N[5]-4:N[5]-4:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]HH)(CH3)2	C[5](N[5]C[5]CC)2(H)2	C(N[5]C[5]2C)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]HH)(CH3)2{2|C<4>,2|H<1>}	C[5](N[5]C[5]CC)2(H)2{4|H<1>}	C(N[5]C[5]2C)(H)3	110.7973	1.445	8	110.7973	2.087	8	110.7973	2.087	8	110.2877	3.609	198	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	Ga[5]-4:C[5]-4:C-4:C-4:	N[5]-4:C[5]-4:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](Ga[5]N[5]CC)(C[5]C[5]HH)(CH3)2	C[5](N[5]Ga[5]CC)(C[5]N[5]HH)(H)2	C(N[5]Ga[5]C[5]C)(H)3	N[5](Ga[5]N[5]CC)(C[5]C[5]HH)(CH3)2{2|C<4>,2|H<1>}	C[5](N[5]Ga[5]CC)(C[5]N[5]HH)(H)2{4|C<4>}	C(N[5]Ga[5]C[5]C)(H)3	109.8380	0.338	4	109.8380	0.114	4	109.8025	0.459	6	110.2877	3.609	198	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	Ga[5]-4:C[5]-4:C-4:C-4:	N[5]-4:C[5]-4:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](Ga[5]O[5]ClC)(C[5]C[5]HH)(CH3)2	C[5](N[5]Ga[5]CC)(C[5]O[5]HH)(H)2	C(N[5]Ga[5]C[5]C)(H)3	N[5](Ga[5]O[5]ClC)(C[5]C[5]HH)(CH3)2{1|Ga<4>,2|H<1>}	C[5](N[5]Ga[5]CC)(C[5]O[5]HH)(H)2{1|Cl<1>,1|Ga<4>,1|C<4>}	C(N[5]Ga[5]C[5]C)(H)3	109.7315	1.392	2	109.7315	1.938	2	109.8025	0.459	6	110.2877	3.609	198	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	In[5]-4:C[5]-4:C-4:C-4:	N[5]-4:C[5]-4:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](In[5]S[5]ClS)(C[5]C[5]HH)(CH3)2	C[5](N[5]In[5]CC)(C[5]S[5]HH)(H)2	C(N[5]In[5]C[5]C)(H)3	N[5](In[5]S[5]ClS)(C[5]C[5]HH)(CH3)2{2|H<1>}	C[5](N[5]In[5]CC)(C[5]S[5]HH)(H)2{1|Cl<1>,1|S<2>}	C(N[5]In[5]C[5]C)(H)3	109.7015	1.046	2	109.7015	1.094	2	109.7015	1.094	2	110.2877	3.609	198	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:C-3:H-1:H-1:	N[5](C[5]C[5]HH)2(CCHH)(CH3)	C[5](C[5]C[5]HH)(N[5]C[5]CC)(H)2	C(N[5]C[5]2C)(CCH)(H)2	N[5](C[5]C[5]HH)2(CCHH)(CH3){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CC)(H)2{4|H<1>}	C(N[5]C[5]2C)(CCH)(H)2	110.4595	2.230	2	110.4595	4.971	2	111.0697	5.763	10	110.6879	5.591	12	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:C-3:H-1:H-1:	N[5](C[5]C[5]HH)2(CCHH)(CH3)	C[5](C[5]C[5]HH)(N[5]C[5]CC)(H)2	C(N[5]C[5]2C)(CCO)(H)2	N[5](C[5]C[5]HH)2(CCHH)(CH3){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CC)(H)2{4|H<1>}	C(N[5]C[5]2C)(CCO)(H)2	111.9885	3.894	2	111.9885	15.164	2	111.0697	5.763	10	110.6879	5.591	12	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:C-3:H-1:H-1:	N[5](C[5]C[5]HH)2(CCHH)(CH3)	C[5](C[5]C[5]HH)(N[5]C[5]CC)(H)2	C(N[5]C[5]2C)(COO)(H)2	N[5](C[5]C[5]HH)2(CCHH)(CH3){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CC)(H)2{4|H<1>}	C(N[5]C[5]2C)(COO)(H)2	110.9668	2.418	6	110.9668	5.847	6	111.0697	5.763	10	110.6879	5.591	12	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[5]-4:C[5]-4:C[6]-4:C-4:	N[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C-3:H-1:H-1:	N[5](C[5]C[5]HH)2(C[6]C[6]2H)(CCHH)	C[5](N[5]C[5]C[6]C)(C[5]C[5]HH)(H)2	C(N[5]C[5]2C[6])(CCH)(H)2	N[5](C[5]C[5]HH)2(C[6]C[6]2H)(CCHH){1|C<3>,1|C<4>,8|H<1>}	C[5](N[5]C[5]C[6]C)(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	C(N[5]C[5]2C[6])(CCH)(H)2	108.7790	0.946	2	108.7790	0.895	2	108.7790	0.895	2	110.6879	5.591	12	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	B[5]-4:C[5]-4:C-4:C-4:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:C-4:H-1:H-1:	N[5](B[5]C[6a]B[5]I)(C[5]C[5]HH)(CCHH)2	C[5](C[5]B[5]HH)(N[5]B[5]CC)(H)2	C(N[5]B[5]C[5]C)(CH3)(H)2	N[5](B[5]C[6a]B[5]I)(C[5]C[5]HH)(CCHH)2{2|H<1>,3|C<3>}	C[5](C[5]B[5]HH)(N[5]B[5]CC)(H)2{1|I<1>,2|C<3>}	C(N[5]B[5]C[5]C)(CH3)(H)2	107.7400	1.301	2	107.7400	1.693	2	107.7400	1.693	2	111.1686	10.137	108	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5,5,6,6]-4:N[5]-4:H-1:H-1:	N[5]-4:C-4:H-1:H-1:	N[5](C[5]C[5,5,6,6]HH)2(CCHH)(CH3)	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(N[5]C[5]CC)(H)2	C(N[5]C[5]2C)(CH3)(H)2	N[5](C[5]C[5,5,6,6]HH)2(CCHH)(CH3){4|C<3>}	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(N[5]C[5]CC)(H)2{2|H<1>,6|C<3>}	C(N[5]C[5]2C)(CH3)(H)2	110.5480	1.123	4	110.5480	1.261	4	110.5480	1.261	4	111.1686	10.137	108	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:N[5]-4:H-1:H-1:	C[5,6]-4:N[5]-4:H-1:H-1:	N[5](C[5]C[5]HH)2(CC[5,6]HH)(CC[6a]HH)	C[5](C[5]C[5]HH)(N[5]C[5]CC)(H)2	C(C[5,6]C[5,5,6]C[5,6]C)(N[5]C[5]2C)(H)2	N[5](C[5]C[5]HH)2(CC[5,6]HH)(CC[6a]HH){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CC)(H)2{4|H<1>}	C(C[5,6]C[5,5,6]C[5,6]C)(N[5]C[5]2C)(H)2	110.4387	7.784	4	110.4387	60.597	4	110.4387	60.597	4	111.1686	10.137	108	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:C-4:H-1:H-1:	N[5](C[5]C[5]HH)2(CCHH)(CH3)	C[5](C[5]C[5]HH)(N[5]C[5]CC)(H)2	C(N[5]C[5]2C)(CCHH)(H)2	N[5](C[5]C[5]HH)2(CCHH)(CH3){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CC)(H)2{4|H<1>}	C(N[5]C[5]2C)(CCHH)(H)2	111.3745	3.256	78	111.3745	10.603	78	111.2935	9.143	96	111.1686	10.137	108	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:C-4:H-1:H-1:	N[5](C[5]C[5]HH)2(CCHH)(CH3)	C[5](C[5]C[5]HH)(N[5]C[5]CC)(H)2	C(N[5]C[5]2C)(CCo2C)(H)2	N[5](C[5]C[5]HH)2(CCHH)(CH3){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CC)(H)2{4|H<1>}	C(N[5]C[5]2C)(CCo2C)(H)2	112.3690	1.396	2	112.3690	1.948	2	111.2935	9.143	96	111.1686	10.137	108	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:C-4:H-1:H-1:	N[5](C[5]C[5]HH)2(CCHH)(CH3)	C[5](C[5]C[5]HH)(N[5]C[5]CC)(H)2	C(N[5]C[5]2C)(CH3)(H)2	N[5](C[5]C[5]HH)2(CCHH)(CH3){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CC)(H)2{4|H<1>}	C(N[5]C[5]2C)(CH3)(H)2	111.4225	2.058	4	111.4225	4.235	4	111.2935	9.143	96	111.1686	10.137	108	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:C-4:H-1:H-1:	N[5](C[5]C[5]HH)2(CCHH)(CH3)	C[5](C[5]C[5]HH)(N[5]C[5]CC)(H)2	C(N[5]C[5]2C)(CHHO)(H)2	N[5](C[5]C[5]HH)2(CCHH)(CH3){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CC)(H)2{4|H<1>}	C(N[5]C[5]2C)(CHHO)(H)2	111.1670	1.827	2	111.1670	3.339	2	111.2935	9.143	96	111.1686	10.137	108	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:C-4:H-1:H-1:	N[5](C[5]C[5]HH)2(CCHH)2	C[5](C[5]C[5]HH)(N[5]C[5]CC)(H)2	C(N[5]C[5]2C)(CH3)(H)2	N[5](C[5]C[5]HH)2(CCHH)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CC)(H)2{4|H<1>}	C(N[5]C[5]2C)(CH3)(H)2	110.6728	0.930	4	110.6728	0.866	4	111.2935	9.143	96	111.1686	10.137	108	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:C-4:H-1:H-1:	N[5](C[5]C[5]HH)2(CC[6a]HH)(CCHH)	C[5](C[5]C[5]HH)(N[5]C[5]CC)(H)2	C(N[5]C[5]2C)(CCHH)(H)2	N[5](C[5]C[5]HH)2(CC[6a]HH)(CCHH){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CC)(H)2{4|H<1>}	C(N[5]C[5]2C)(CCHH)(H)2	109.9825	1.674	4	109.9825	2.803	4	111.2935	9.143	96	111.1686	10.137	108	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:C-4:H-1:H-1:	N[5](C[5]C[5]HH)2(CC[6a]HH)(CCHH)	C[5](C[5]C[5]HH)(N[5]C[5]CC)(H)2	C(N[5]C[5]2C)(CCHN)(H)2	N[5](C[5]C[5]HH)2(CC[6a]HH)(CCHH){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CC)(H)2{4|H<1>}	C(N[5]C[5]2C)(CCHN)(H)2	110.7925	3.368	2	110.7925	11.343	2	111.2935	9.143	96	111.1686	10.137	108	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:Si-4:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CSiHH)(CH3)	C[5](C[5]C[5]HH)(N[5]C[5]CC)(H)2	C(N[5]C[5]2C)(SiC3)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CSiHH)(CH3){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CC)(H)2{1|C<4>,3|H<1>}	C(N[5]C[5]2C)(SiC3)(H)2	111.0770	0.000	1	111.0770	0.000	1	111.3015	0.101	2	111.1686	10.137	108	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:Si-4:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CSiHH)(CH3)	C[5](C[5]C[5]HH)(N[5]C[5]CC)(H)2	C(N[5]C[5]2C)(SiC[6a]2C)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CSiHH)(CH3){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CC)(H)2{1|C<4>,3|H<1>}	C(N[5]C[5]2C)(SiC[6a]2C)(H)2	111.5260	0.000	1	111.5260	0.000	1	111.3015	0.101	2	111.1686	10.137	108	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:N[5]-4:C-3:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)2	C[5](C[5]C[5]HO)(N[5]C[5]CC)(COO)(H)	C(N[5]C[5]2C)(H)3	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)2{1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]CC)(COO)(H){4|H<1>}	C(N[5]C[5]2C)(H)3	113.2215	1.658	2	113.2215	2.750	2	113.2215	2.750	2	113.2215	2.750	2	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:4:	4:4:4:1:	3:4:1:1:	C[5]-4:C[5]-4:C-4:B-4:	C[5]-4:N[5]-4:C-4:H-1:	C[6a]-3:N[5]-4:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH)(BH3)	C[5](C[5]C[5]HH)(N[5]C[5]BC)(CCHH)(H)	C(C[6a]C[6a]2)(N[5]C[5]2B)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH)(BH3){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]BC)(CCHH)(H){4|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2B)(H)2	108.2510	0.000	1	108.2510	0.000	1	108.2510	0.000	1	108.2510	0.000	1	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5,5]-4:N[5]-4:C-4:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5]C[5,5]CH)2(CH3)2	C[5](C[5,5]C[5,5]C[5]Fe)(N[5]C[5]CC)(CBHH)(H)	C(N[5]C[5]2C)(H)3	N[5](C[5]C[5,5]CH)2(CH3)2{1|Fe<10>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]Fe)(N[5]C[5]CC)(CBHH)(H){2|H<1>,3|C<4>}	C(N[5]C[5]2C)(H)3	110.8485	0.588	2	110.8485	0.345	2	110.4715	8.995	4	110.9291	4.721	8	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5,5]-4:N[5]-4:C-4:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5]C[5,5]CH)2(CH3)2	C[5](C[5,5]C[5,5]C[5]Fe)(N[5]C[5]CC)(CCHH)(H)	C(N[5]C[5]2C)(H)3	N[5](C[5]C[5,5]CH)2(CH3)2{1|Fe<10>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]Fe)(N[5]C[5]CC)(CCHH)(H){2|H<1>,3|C<4>}	C(N[5]C[5]2C)(H)3	110.0945	5.106	2	110.0945	26.071	2	110.4715	8.995	4	110.9291	4.721	8	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5,6]-4:N[5]-4:C-4:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(CH3)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]CC)(CHHO)(H)	C(N[5]C[5]2C)(H)3	N[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(CH3)2{2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]CC)(CHHO)(H){2|C<4>,5|H<1>}	C(N[5]C[5]2C)(H)3	111.3735	2.053	2	111.3735	4.214	2	111.3735	4.214	2	110.9291	4.721	8	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:N[5]-4:C-4:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CSiHH)(CH3)	C[5](C[5]C[5]HH)(N[5]C[5]CC)(CHHO)(H)	C(N[5]C[5]2C)(H)3	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CSiHH)(CH3){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CC)(CHHO)(H){4|H<1>}	C(N[5]C[5]2C)(H)3	111.4000	0.414	2	111.4000	0.172	2	111.4000	0.172	2	110.9291	4.721	8	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:N[5]-4:C-4:H-1:	N[5]-4:Si-4:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CSiHH)(CH3)	C[5](C[5]C[5]HH)(N[5]C[5]CC)(CHHO)(H)	C(N[5]C[5]2C)(SiC3)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CSiHH)(CH3){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CC)(CHHO)(H){4|H<1>}	C(N[5]C[5]2C)(SiC3)(H)2	110.4570	0.000	1	110.4570	0.000	1	110.0660	0.306	2	110.0660	0.306	2	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:N[5]-4:C-4:H-1:	N[5]-4:Si-4:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CSiHH)(CH3)	C[5](C[5]C[5]HH)(N[5]C[5]CC)(CHHO)(H)	C(N[5]C[5]2C)(SiC[6a]2C)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CSiHH)(CH3){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CC)(CHHO)(H){4|H<1>}	C(N[5]C[5]2C)(SiC[6a]2C)(H)2	109.6750	0.000	1	109.6750	0.000	1	110.0660	0.306	2	110.0660	0.306	2	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	5:4:4:1:	4:4:4:1:	4:1:1:1:	Si[5,5]-5:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:C-4:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](Si[5,5]C[6a]N[5]O[5]2)(C[5]C[5]CH)(CH3)(H)	C[5](C[5]C[6a]O[5]H)(N[5]Si[5,5]CH)(CH3)(H)	C(N[5]Si[5,5]C[5]H)(H)3	N[5](Si[5,5]C[6a]N[5]O[5]2)(C[5]C[5]CH)(CH3)(H){1|H<1>,1|N<2>,5|C<3>}	C[5](C[5]C[6a]O[5]H)(N[5]Si[5,5]CH)(CH3)(H){1|N<3>,1|O<2>,3|C<3>}	C(N[5]Si[5,5]C[5]H)(H)3	114.6350	0.000	1	114.6350	0.000	1	114.6350	0.000	1	114.6350	0.000	1	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	5:4:4:4:	4:3:1:1:	4:4:1:1:	In[5,5]-5:C[5]-4:C-4:C-4:	N[5]-4:C[5]-3:H-1:H-1:	N[5]-4:C-4:H-1:H-1:	N[5](In[5,5]N[5]O[5]2O)(C[5]C[5]HH)(CCHH)2	C[5](N[5]In[5,5]CC)(C[5]O[5]O)(H)2	C(N[5]In[5,5]C[5]C)(CHHN)(H)2	N[5](In[5,5]N[5]O[5]2O)(C[5]C[5]HH)(CCHH)2{1|C<3>,1|O<1>,3|C<4>}	C[5](N[5]In[5,5]CC)(C[5]O[5]O)(H)2{1|N<4>,2|O<2>}	C(N[5]In[5,5]C[5]C)(CHHN)(H)2	110.8515	0.690	4	110.8515	0.476	4	110.8515	0.476	4	110.8515	0.476	4	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	5:4:4:4:	4:4:1:1:	4:1:1:1:	Ga[4,5]-5:C[5]-4:C-4:C-4:	N[5]-4:C[5]-4:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](Ga[4,5]O[4,5]2Cl2)(C[5]C[5]HH)(CH3)2	C[5](N[5]Ga[4,5]CC)(C[5]O[4,5]HH)(H)2	C(N[5]Ga[4,5]C[5]C)(H)3	N[5](Ga[4,5]O[4,5]2Cl2)(C[5]C[5]HH)(CH3)2{1|Ga<5>,1|C<4>,2|H<1>}	C[5](N[5]Ga[4,5]CC)(C[5]O[4,5]HH)(H)2{1|Ga<5>,2|Cl<1>,1|O<3>}	C(N[5]Ga[4,5]C[5]C)(H)3	109.9675	0.486	2	109.9675	0.236	2	109.9675	0.236	2	109.3200	1.675	8	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	5:4:4:4:	4:4:1:1:	4:1:1:1:	In[5,6]-5:C[5]-4:C-4:C-4:	N[5]-4:C[5]-4:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](In[5,6]N[5,6]O[6]Cl2)(C[5]C[5]HH)(CH3)2	C[5](N[5]In[5,6]CC)(C[5]N[5,6]HH)(H)2	C(N[5]In[5,6]C[5]C)(H)3	N[5](In[5,6]N[5,6]O[6]Cl2)(C[5]C[5]HH)(CH3)2{1|C<3>,2|C<4>,2|H<1>}	C[5](N[5]In[5,6]CC)(C[5]N[5,6]HH)(H)2{2|Cl<1>,1|O<2>,2|C<4>}	C(N[5]In[5,6]C[5]C)(H)3	110.0590	1.028	2	110.0590	1.057	2	110.0590	1.057	2	109.3200	1.675	8	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	5:4:4:4:	4:4:1:1:	4:1:1:1:	In[5]-5:C[5]-4:C-4:C-4:	N[5]-4:C[5]-4:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](In[5]N[5]Cl3)(C[5]C[5]HH)(CCHH)(CH3)	C[5](N[5]In[5]CC)(C[5]N[5]HH)(H)2	C(N[5]In[5]C[5]C)(H)3	N[5](In[5]N[5]Cl3)(C[5]C[5]HH)(CCHH)(CH3){2|C<4>,2|H<1>}	C[5](N[5]In[5]CC)(C[5]N[5]HH)(H)2{3|Cl<1>,2|C<4>}	C(N[5]In[5]C[5]C)(H)3	109.7345	1.249	2	109.7345	1.561	2	109.7345	1.561	2	109.3200	1.675	8	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	5:4:4:4:	4:4:1:1:	4:1:1:1:	Si[5]-5:C[5]-4:C-4:C-4:	N[5]-4:C[5]-4:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](Si[5]N[5]Cl3)(C[5]C[5]HH)(CCHH)(CH3)	C[5](N[5]Si[5]CC)(C[5]N[5]HH)(H)2	C(N[5]Si[5]C[5]C)(H)3	N[5](Si[5]N[5]Cl3)(C[5]C[5]HH)(CCHH)(CH3){2|C<4>,2|H<1>}	C[5](N[5]Si[5]CC)(C[5]N[5]HH)(H)2{3|Cl<1>,2|C<4>}	C(N[5]Si[5]C[5]C)(H)3	107.5190	0.334	2	107.5190	0.111	2	107.5190	0.111	2	109.3200	1.675	8	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	5:4:4:4:	4:4:1:1:	4:4:1:1:	In[5]-5:C[5]-4:C-4:C-4:	N[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C-4:H-1:H-1:	N[5](In[5]N[5]Cl3)(C[5]C[5]HH)(CCHH)(CH3)	C[5](N[5]In[5]CC)(C[5]N[5]HH)(H)2	C(N[5]In[5]C[5]C)(CHHN)(H)2	N[5](In[5]N[5]Cl3)(C[5]C[5]HH)(CCHH)(CH3){2|C<4>,2|H<1>}	C[5](N[5]In[5]CC)(C[5]N[5]HH)(H)2{3|Cl<1>,2|C<4>}	C(N[5]In[5]C[5]C)(CHHN)(H)2	111.2970	0.419	2	111.2970	0.175	2	111.2970	0.175	2	110.1185	1.926	4	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	5:4:4:4:	4:4:1:1:	4:4:1:1:	Si[5]-5:C[5]-4:C-4:C-4:	N[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C-4:H-1:H-1:	N[5](Si[5]N[5]Cl3)(C[5]C[5]HH)(CCHH)(CH3)	C[5](N[5]Si[5]CC)(C[5]N[5]HH)(H)2	C(N[5]Si[5]C[5]C)(CHHN)(H)2	N[5](Si[5]N[5]Cl3)(C[5]C[5]HH)(CCHH)(CH3){2|C<4>,2|H<1>}	C[5](N[5]Si[5]CC)(C[5]N[5]HH)(H)2{3|Cl<1>,2|C<4>}	C(N[5]Si[5]C[5]C)(CHHN)(H)2	108.9400	0.218	2	108.9400	0.047	2	108.9400	0.047	2	110.1185	1.926	4	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	7:4:4:4:	3:4:1:1:	4:1:1:1:	Nb[5,5]-7:C[5]-4:C-4:C-4:	C[5,6a]-3:N[5]-4:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](Nb[5,5]C[5,5,6a]N[5]Cl4)(C[5]C[5,6a]HH)(CH3)2	C[5](C[5,6a]C[5,5,6a]C[6a])(N[5]Nb[5,5]CC)(H)2	C(N[5]Nb[5,5]C[5]C)(H)3	N[5](Nb[5,5]C[5,5,6a]N[5]Cl4)(C[5]C[5,6a]HH)(CH3)2{2|C<3>,3|C<4>}	C[5](C[5,6a]C[5,5,6a]C[6a])(N[5]Nb[5,5]CC)(H)2{4|Cl<1>,1|H<1>,1|N<4>,2|C<3>}	C(N[5]Nb[5,5]C[5]C)(H)3	106.8890	1.029	4	106.8890	1.058	4	106.8890	1.058	4	106.8890	1.058	4	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	7:4:4:4:	4:4:1:1:	4:1:1:1:	Nb[3,5,6,6]-7:C[5]-4:C-4:C-4:	N[5]-4:C[5]-4:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](Nb[3,5,6,6]N[5,6,6]C[3]2O[6]2Cl)(C[5]C[5]HH)(CH3)2	C[5](N[5]Nb[3,5,6,6]CC)(C[5]N[5,6,6]HH)(H)2	C(N[5]Nb[3,5,6,6]C[5]C)(H)3	N[5](Nb[3,5,6,6]N[5,6,6]C[3]2O[6]2Cl)(C[5]C[5]HH)(CH3)2{2|C<3>,2|H<1>,4|C<4>}	C[5](N[5]Nb[3,5,6,6]CC)(C[5]N[5,6,6]HH)(H)2{1|Cl<1>,2|C<3>,2|C<4>,2|O<2>}	C(N[5]Nb[3,5,6,6]C[5]C)(H)3	108.3777	2.416	6	108.3777	5.837	6	108.3777	5.837	6	108.5787	3.935	16	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	7:4:4:4:	4:4:1:1:	4:1:1:1:	Nb[3,5,6]-7:C[5]-4:C-4:C-4:	N[5]-4:C[5]-4:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](Nb[3,5,6]N[5,6]C[3]2O[6]Cl2)(C[5]C[5]HH)(CH3)2	C[5](N[5]Nb[3,5,6]CC)(C[5]N[5,6]HH)(H)2	C(N[5]Nb[3,5,6]C[5]C)(H)3	N[5](Nb[3,5,6]N[5,6]C[3]2O[6]Cl2)(C[5]C[5]HH)(CH3)2{1|C<3>,2|H<1>,4|C<4>}	C[5](N[5]Nb[3,5,6]CC)(C[5]N[5,6]HH)(H)2{2|Cl<1>,1|O<2>,2|C<3>,2|C<4>}	C(N[5]Nb[3,5,6]C[5]C)(H)3	107.6885	1.044	2	107.6885	1.091	2	107.6885	1.091	2	108.5787	3.935	16	111.4229	7.681	627	111.5975	6.613	912
999	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	7:4:4:4:	4:4:1:1:	4:1:1:1:	Nb[3x3,5]-7:C[5]-4:C-4:C-4:	N[5]-4:C[5]-4:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](Nb[3x3,5]Nb[3x3,5]Cl[3]3N[5]Cl)(C[5]C[5]HH)(CH3)2	C[5](N[5]Nb[3x3,5]CC)(C[5]N[5]HH)(H)2	C(N[5]Nb[3x3,5]C[5]C)(H)3	N[5](Nb[3x3,5]Nb[3x3,5]Cl[3]3N[5]Cl)(C[5]C[5]HH)(CH3)2{1|Cl<1>,2|C<4>,2|H<1>,2|N<4>}	C[5](N[5]Nb[3x3,5]CC)(C[5]N[5]HH)(H)2{1|Cl<1>,1|Nb<7>,3|Cl<2>,2|C<4>}	C(N[5]Nb[3x3,5]C[5]C)(H)3	108.9520	1.920	8	108.9520	3.687	8	108.9520	3.687	8	108.5787	3.935	16	111.4229	7.681	627	111.5975	6.613	912
999	474	538	5:SP3_SP3_SPD5	N[3x5]	C[5]	Ge[3x5]	5:4:4:4:	4:4:1:1:	4:2:2:2:1:	Ge[3x5]-5:C[5]-4:C[5]-4:C[5]-4:	N[3x5]-4:C[5]-4:H-1:H-1:	N[3x5]-4:O[5]-2:O[5]-2:O[5]-2:Br-1:	N[3x5](Ge[3x5]O[5]3Br)(C[5]C[5]CC)(C[5]C[5]HH)2	C[5](N[3x5]Ge[3x5]C[5]2)(C[5]O[5]CC)(H)2	Ge[3x5](N[3x5]C[5]3)(O[5]C[5])3(Br)	N[3x5](Ge[3x5]O[5]3Br)(C[5]C[5]CC)(C[5]C[5]HH)2{2|C<4>,4|H<1>}	C[5](N[3x5]Ge[3x5]C[5]2)(C[5]O[5]CC)(H)2{1|Br<1>,2|H<1>,2|O<2>,4|C<4>}	Ge[3x5](N[3x5]C[5]3)(O[5]C[5])3(Br){4|C<4>,8|H<1>}	106.1570	0.000	1	106.1570	0.000	1	104.4425	5.879	2	104.4425	5.879	2	104.4307	2.940	3	104.4307	2.940	3
999	474	538	5:SP3_SP3_SPD5	N[3x5]	C[5]	Ge[3x5]	5:4:4:4:	4:4:1:1:	4:2:2:2:1:	Ge[3x5]-5:C[5]-4:C[5]-4:C[5]-4:	N[3x5]-4:C[5]-4:H-1:H-1:	N[3x5]-4:O[5]-2:O[5]-2:O[5]-2:Br-1:	N[3x5](Ge[3x5]O[5]3Br)(C[5]C[5]CC)(C[5]C[5]HH)2	C[5](N[3x5]Ge[3x5]C[5]2)(C[5]O[5]HH)(H)2	Ge[3x5](N[3x5]C[5]3)(O[5]C[5])3(Br)	N[3x5](Ge[3x5]O[5]3Br)(C[5]C[5]CC)(C[5]C[5]HH)2{2|C<4>,4|H<1>}	C[5](N[3x5]Ge[3x5]C[5]2)(C[5]O[5]HH)(H)2{1|Br<1>,2|H<1>,2|O<2>,4|C<4>}	Ge[3x5](N[3x5]C[5]3)(O[5]C[5])3(Br){4|C<4>,8|H<1>}	102.7280	0.000	1	102.7280	0.000	1	104.4425	5.879	2	104.4425	5.879	2	104.4307	2.940	3	104.4307	2.940	3
999	474	538	5:SP3_SP3_SPD5	N[3x5]	C[5]	Ge[3x5]	5:4:4:4:	4:4:4:4:	4:2:2:2:1:	Ge[3x5]-5:C[5]-4:C[5]-4:C[5]-4:	N[3x5]-4:C[5]-4:C-4:C-4:	N[3x5]-4:O[5]-2:O[5]-2:O[5]-2:Br-1:	N[3x5](Ge[3x5]O[5]3Br)(C[5]C[5]CC)(C[5]C[5]HH)2	C[5](N[3x5]Ge[3x5]C[5]2)(C[5]O[5]HH)(CH3)2	Ge[3x5](N[3x5]C[5]3)(O[5]C[5])3(Br)	N[3x5](Ge[3x5]O[5]3Br)(C[5]C[5]CC)(C[5]C[5]HH)2{2|C<4>,4|H<1>}	C[5](N[3x5]Ge[3x5]C[5]2)(C[5]O[5]HH)(CH3)2{1|Br<1>,2|C<4>,2|O<2>,4|H<1>}	Ge[3x5](N[3x5]C[5]3)(O[5]C[5])3(Br){4|C<4>,8|H<1>}	104.4070	0.000	1	104.4070	0.000	1	104.4070	0.000	1	104.4070	0.000	1	104.4307	2.940	3	104.4307	2.940	3
999	474	542	5:SP3_SP2_SP3	N[5,5]	C[5,5]	N[5]	4:4:3:1:	3:4:3:4:	4:3:4:	B[5,5]-4:C[5,5]-4:N[5]-3:H-1:	C[5,6a]-3:N[5,5]-4:N[5]-3:C-4:	N[5,5]-4:C[5]-3: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)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]B[5,5]N[5]H)(N[5]C[6a]C[5])(CH3)	N[5](N[5,5]B[5,5]C[5,5]H)(C[5]N[5]S)(CCHH)	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>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]B[5,5]N[5]H)(N[5]C[6a]C[5])(CH3){1|C<4>,1|H<1>,1|S<1>,2|O<2>,4|C<3>}	N[5](N[5,5]B[5,5]C[5,5]H)(C[5]N[5]S)(CCHH){1|C<4>,2|O<2>,3|C<3>}	104.0920	0.000	1	104.0920	0.000	1	104.0920	0.000	1	104.0920	0.000	1	104.0920	0.000	1	104.0920	0.000	1
999	474	542	5:SP3_SP3_SP3	N[5,5,6]	C[5,6]	N[5,5,6]	4:4:3:1:	4:3:4:1:	4:4:4:	C[5,5,6]-4:C[5,6]-4:N[5,5,6]-3:H-1:	N[5,5,6]-4:C[6,6a]-3:C[5,6]-4:H-1:	N[5,5,6]-4:C[5,5,6]-4:C[5]-4:	N[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[6,6a]C[5,6]H)(N[5,5,6]C[5,5,6]C[5])(H)	C[5,6](N[5,5,6]C[5,5,6]N[5,5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(H)	N[5,5,6](N[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6]CC)	N[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[6,6a]C[5,6]H)(N[5,5,6]C[5,5,6]C[5])(H){2|C<3>,4|C<4>,6|H<1>}	C[5,6](N[5,5,6]C[5,5,6]N[5,5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(H){1|O<2>,2|C<3>,4|H<1>,5|C<4>}	N[5,5,6](N[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6]CC){1|C<3>,2|C<4>,7|H<1>}	108.6080	0.000	1	108.6080	0.000	1	108.6080	0.000	1	108.6080	0.000	1	108.6080	0.000	1	104.5104	7.172	5
999	474	542	5:SP3_SP3_SP3	N[5,5]	C[5,5]	N[5]	4:4:3:1:	3:4:3:4:	4:3:4:	B[5,5]-4:C[5,5]-4:N[5]-3:H-1:	C[5,6a]-3:N[5,5]-4:N[5]-3:C-4:	N[5,5]-4:C[5]-3: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)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]B[5,5]N[5]H)(N[5]C[6a]C[5])(CH3)	N[5](N[5,5]B[5,5]C[5,5]H)(C[5]N[5]S)(CCHH)	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>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]B[5,5]N[5]H)(N[5]C[6a]C[5])(CH3){1|C<4>,1|H<1>,1|S<1>,2|O<2>,4|C<3>}	N[5](N[5,5]B[5,5]C[5,5]H)(C[5]N[5]S)(CCHH){1|C<4>,2|O<2>,3|C<3>}	104.1770	0.000	1	104.1770	0.000	1	104.1770	0.000	1	104.1770	0.000	1	104.1770	0.000	1	104.5104	7.172	5
999	474	542	5:SP3_SP3_SP3	N[5,5]	C[5]	N[5,5]	4:3:4:1:	4:4:1:1:	4:4:3:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5,5]-4:C[5]-3:	N[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H)	C[5](N[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	N[5,5](C[5]C[5,5]CH)(N[5,5]C[5]2H)(C[5]C[5]O)	N[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H){1|O<1>,3|H<1>,5|C<3>}	C[5](N[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	N[5,5](C[5]C[5,5]CH)(N[5,5]C[5]2H)(C[5]C[5]O){3|C<3>,5|H<1>}	102.7670	0.000	1	102.7670	0.000	1	102.7670	0.000	1	102.7670	0.000	1	102.2180	0.603	2	104.5104	7.172	5
999	474	542	5:SP3_SP3_SP3	N[5,5]	C[5]	N[5,5]	4:3:4:1:	4:4:3:1:	4:4:3:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:N[5,5]-4:C[6a]-3:H-1:	C[5]-4:N[5,5]-4:C[5]-3:	N[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)	N[5,5](C[5]C[5,5]CH)(N[5,5]C[5]2H)(C[5]C[5]O)	N[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H){1|O<1>,3|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,5|H<1>,6|C<3>}	N[5,5](C[5]C[5,5]CH)(N[5,5]C[5]2H)(C[5]C[5]O){3|C<3>,5|H<1>}	101.6690	0.000	1	101.6690	0.000	1	101.6690	0.000	1	101.6690	0.000	1	102.2180	0.603	2	104.5104	7.172	5
999	474	542	5:SP3_SP3_SP3	N[5,6,6]	C[5]	N[5,6,6]	3:4:4:1:	4:4:3:1:	4:4:4:	N[5,6,6]-3:C[5]-4:C[3x6]-4:H-1:	N[5,6,6]-4:C[5,5,6]-4:C[6a]-3:H-1:	N[5,6,6]-4:C[5,5,6]-4:C[3x6]-4:	N[5,6,6](N[5,6,6]C[5,5,6]C[3x6])(C[5]C[5,5,6]C[6a]H)(C[3x6]C[6,6]2H)(H)	C[5](N[5,6,6]N[5,6,6]C[3x6]H)(C[5,5,6]C[5,5,6]2H)(C[6a]C[6a]2)(H)	N[5,6,6](N[5,6,6]C[3x6]C[5]H)(C[5,5,6]C[5,5,6]2H)(C[3x6]C[6,6]2H)	N[5,6,6](N[5,6,6]C[5,5,6]C[3x6])(C[5]C[5,5,6]C[6a]H)(C[3x6]C[6,6]2H)(H){2|C<3>,4|C<4>,7|H<1>}	C[5](N[5,6,6]N[5,6,6]C[3x6]H)(C[5,5,6]C[5,5,6]2H)(C[6a]C[6a]2)(H){2|C<3>,5|H<1>,6|C<4>}	N[5,6,6](N[5,6,6]C[3x6]C[5]H)(C[5,5,6]C[5,5,6]2H)(C[3x6]C[6,6]2H){1|C<3>,5|C<4>,8|H<1>}	105.3310	0.000	1	105.3310	0.000	1	105.3310	0.000	1	105.3310	0.000	1	105.3310	0.000	1	104.5104	7.172	5
999	474	542	6:SP3_SP3_SP3	N[5,5,6]	C[5,5,6]	N[5,5,6]	4:4:3:1:	4:4:4:1:	4:4:4:	C[5,5,6]-4:C[5,6]-4:N[5,5,6]-3:H-1:	N[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	N[5,5,6]-4:C[5,5,6]-4:C[5]-4:	N[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[6,6a]C[5,6]H)(N[5,5,6]C[5,5,6]C[5])(H)	C[5,5,6](N[5,5,6]N[5,5,6]C[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	N[5,5,6](N[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6]CC)	N[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[6,6a]C[5,6]H)(N[5,5,6]C[5,5,6]C[5])(H){2|C<3>,4|C<4>,6|H<1>}	C[5,5,6](N[5,5,6]N[5,5,6]C[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,2|C<4>,4|H<1>}	N[5,5,6](N[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6]CC){1|C<3>,2|C<4>,7|H<1>}	103.6340	0.000	1	103.6340	0.000	1	103.6340	0.000	1	103.6340	0.000	1	103.6340	0.000	1	103.6340	0.000	1
999	474	578	5:SP3_SP3_SPD6	N[3x5]	C[5,6]	Ga[5x5]	6:4:4:4:	4:4:4:1:	4:4:3:3:2:2:	Ga[5x5]-6:C[5,6]-4:C[5]-4:C[5]-4:	N[3x5]-4:C[5,6]-4:C[6]-4:H-1:	N[3x5]-4:N[3x5]-4:N[5,6]-3:N[5,6]-3:O[5]-2:O[5]-2:	N[3x5](Ga[5x5]N[3x5]N[5,6]2O[5]2)(C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(C[5]C[5]HH)	C[5,6](N[3x5]Ga[5x5]C[5]2)(C[5,6]N[3x5]C[6]H)(C[6]C[6]HH)(H)	Ga[5x5](N[3x5]C[5,6]C[5]2)2(N[5,6]C[5,6]C[6])2(O[5]C[5])2	N[3x5](Ga[5x5]N[3x5]N[5,6]2O[5]2)(C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(C[5]C[5]HH){1|O<1>,3|H<1>,4|C<4>,5|C<3>}	C[5,6](N[3x5]Ga[5x5]C[5]2)(C[5,6]N[3x5]C[6]H)(C[6]C[6]HH)(H){2|C<3>,2|N<3>,2|O<2>,3|C<4>,8|H<1>}	Ga[5x5](N[3x5]C[5,6]C[5]2)2(N[5,6]C[5,6]C[6])2(O[5]C[5])2{12|H<1>,2|C<4>,2|O<1>,4|C<3>}	106.1060	0.000	1	106.1060	0.000	1	106.1060	0.000	1	106.1060	0.000	1	106.1060	0.000	1	107.4537	4.716	46
999	474	578	5:SP3_SP3_SPD6	N[3x5]	C[5]	Ga[3x5,6,6]	6:4:4:4:	4:3:1:1:	3:4:4:4:2:2:	Ga[3x5,6,6]-6:C[5]-4:C[5]-4:C[5]-4:	N[3x5]-4:C[5,6]-3:H-1:H-1:	N[5,6]-3:N[5,6]-4:N[5,6]-4:N[3x5]-4:O[6]-2:O[6]-2:	N[3x5](Ga[3x5,6,6]N[5,6]3O[6]2)(C[5]C[5,6]HH)(C[5]C[5]HH)2	C[5](N[3x5]Ga[3x5,6,6]C[5]2)(C[5,6]N[5,6]C[6])(H)2	Ga[3x5,6,6](N[5,6]C[5,6]C[6])(N[5,6]C[5]C[6]H)2(N[3x5]C[5]3)(O[6]C[6,6a])2	N[3x5](Ga[3x5,6,6]N[5,6]3O[6]2)(C[5]C[5,6]HH)(C[5]C[5]HH)2{2|C<4>,4|C<3>,6|H<1>}	C[5](N[3x5]Ga[3x5,6,6]C[5]2)(C[5,6]N[5,6]C[6])(H)2{2|C<3>,2|C<4>,2|N<4>,2|O<2>,5|H<1>}	Ga[3x5,6,6](N[5,6]C[5,6]C[6])(N[5,6]C[5]C[6]H)2(N[3x5]C[5]3)(O[6]C[6,6a])2{15|H<1>,6|C<3>}	107.1490	0.226	2	107.1490	0.051	2	107.1490	0.051	2	107.1490	0.051	2	106.8385	4.527	6	107.4537	4.716	46
999	474	578	5:SP3_SP3_SPD6	N[3x5]	C[5]	Ga[3x5,6,6]	6:4:4:4:	4:4:1:1:	3:4:4:4:2:2:	Ga[3x5,6,6]-6:C[5]-4:C[5]-4:C[5]-4:	N[3x5]-4:C[5]-4:H-1:H-1:	N[5,6]-3:N[5,6]-4:N[5,6]-4:N[3x5]-4:O[6]-2:O[6]-2:	N[3x5](Ga[3x5,6,6]N[5,6]3O[6]2)(C[5]C[5,6]HH)(C[5]C[5]HH)2	C[5](N[3x5]Ga[3x5,6,6]C[5]2)(C[5]N[5,6]HH)(H)2	Ga[3x5,6,6](N[5,6]C[5,6]C[6])(N[5,6]C[5]C[6]H)2(N[3x5]C[5]3)(O[6]C[6,6a])2	N[3x5](Ga[3x5,6,6]N[5,6]3O[6]2)(C[5]C[5,6]HH)(C[5]C[5]HH)2{2|C<4>,4|C<3>,6|H<1>}	C[5](N[3x5]Ga[3x5,6,6]C[5]2)(C[5]N[5,6]HH)(H)2{1|C<3>,1|N<3>,1|N<4>,2|C<4>,2|O<2>,5|H<1>}	Ga[3x5,6,6](N[5,6]C[5,6]C[6])(N[5,6]C[5]C[6]H)2(N[3x5]C[5]3)(O[6]C[6,6a])2{15|H<1>,6|C<3>}	106.6833	2.726	4	106.6833	7.432	4	106.6833	7.432	4	106.6833	7.432	4	106.8385	4.527	6	107.4537	4.716	46
999	474	578	5:SP3_SP3_SPD6	N[3x5]	C[5]	Ga[5x5]	6:4:4:4:	4:3:1:1:	4:4:3:3:2:2:	Ga[5x5]-6:C[5,6]-4:C[5]-4:C[5]-4:	N[3x5]-4:C[5,6]-3:H-1:H-1:	N[3x5]-4:N[3x5]-4:N[5,6]-3:N[5,6]-3:O[5]-2:O[5]-2:	N[3x5](Ga[5x5]N[3x5]N[5,6]2O[5]2)(C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(C[5]C[5]HH)	C[5](N[3x5]Ga[5x5]C[5,6]C[5])(C[5,6]N[5,6]C[6])(H)2	Ga[5x5](N[3x5]C[5,6]C[5]2)2(N[5,6]C[5,6]C[6])2(O[5]C[5])2	N[3x5](Ga[5x5]N[3x5]N[5,6]2O[5]2)(C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(C[5]C[5]HH){1|O<1>,3|H<1>,4|C<4>,5|C<3>}	C[5](N[3x5]Ga[5x5]C[5,6]C[5])(C[5,6]N[5,6]C[6])(H)2{1|N<3>,1|N<4>,2|C<4>,2|O<2>,3|C<3>,4|H<1>}	Ga[5x5](N[3x5]C[5,6]C[5]2)2(N[5,6]C[5,6]C[6])2(O[5]C[5])2{12|H<1>,2|C<4>,2|O<1>,4|C<3>}	104.2210	0.000	1	104.2210	0.000	1	104.2210	0.000	1	105.0570	1.398	2	105.0570	1.398	2	107.4537	4.716	46
999	474	578	5:SP3_SP3_SPD6	N[3x5]	C[5]	Ga[5x5]	6:4:4:4:	4:3:1:1:	4:4:3:3:2:2:	Ga[5x5]-6:C[5,6]-4:C[5]-4:C[5]-4:	N[3x5]-4:C[5]-3:H-1:H-1:	N[3x5]-4:N[3x5]-4:N[5,6]-3:N[5,6]-3:O[5]-2:O[5]-2:	N[3x5](Ga[5x5]N[3x5]N[5,6]2O[5]2)(C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(C[5]C[5]HH)	C[5](N[3x5]Ga[5x5]C[5,6]C[5])(C[5]O[5]O)(H)2	Ga[5x5](N[3x5]C[5,6]C[5]2)2(N[5,6]C[5,6]C[6])2(O[5]C[5])2	N[3x5](Ga[5x5]N[3x5]N[5,6]2O[5]2)(C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(C[5]C[5]HH){1|O<1>,3|H<1>,4|C<4>,5|C<3>}	C[5](N[3x5]Ga[5x5]C[5,6]C[5])(C[5]O[5]O)(H)2{1|C<3>,1|N<4>,1|O<2>,2|C<4>,2|N<3>,3|H<1>}	Ga[5x5](N[3x5]C[5,6]C[5]2)2(N[5,6]C[5,6]C[6])2(O[5]C[5])2{12|H<1>,2|C<4>,2|O<1>,4|C<3>}	105.8930	0.000	1	105.8930	0.000	1	105.8930	0.000	1	105.0570	1.398	2	105.0570	1.398	2	107.4537	4.716	46
999	474	578	5:SP3_SP3_SPD6	N[5,5,6]	C[5]	Ga[4x5,6,6]	6:4:4:4:	4:4:1:1:	4:4:4:4:2:2:	Ga[4x5,6,6]-6:C[6]-4:C[5]-4:C[5]-4:	N[5,5,6]-4:C[5]-4:H-1:H-1:	N[5,5,6]-4:N[5,5,6]-4:N[5,5]-4:N[5,5]-4:O[6]-2:O[6]-2:	N[5,5,6](Ga[4x5,6,6]N[5,5,6]N[5,5]2O[6]2)(C[6]C[6,6a]HH)(C[5]C[5]HH)2	C[5](N[5,5,6]Ga[4x5,6,6]C[5]C[6])(C[5]N[5,5]HH)(H)2	Ga[4x5,6,6](N[5,5,6]C[5]2C[6])2(N[5,5]C[5]2H)2(O[6]C[6,6a])2	N[5,5,6](Ga[4x5,6,6]N[5,5,6]N[5,5]2O[6]2)(C[6]C[6,6a]HH)(C[5]C[5]HH)2{3|C<3>,5|C<4>,6|H<1>}	C[5](N[5,5,6]Ga[4x5,6,6]C[5]C[6])(C[5]N[5,5]HH)(H)2{1|C<3>,2|C<4>,2|N<4>,2|O<2>,5|H<1>}	Ga[4x5,6,6](N[5,5,6]C[5]2C[6])2(N[5,5]C[5]2H)2(O[6]C[6,6a])2{20|H<1>,4|C<3>}	107.9270	2.520	4	107.9270	6.352	4	107.9270	6.352	4	107.9270	6.352	4	107.9270	6.352	4	107.4537	4.716	46
999	474	578	5:SP3_SP3_SPD6	N[5,5]	C[5]	Ga[3x5,6,6]	6:4:4:1:	4:4:1:1:	3:3:4:4:2:2:	Ga[3x5,6,6]-6:C[5]-4:C[5]-4:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,6]-3:N[5,6]-3:N[5,5]-4:N[5,5]-4:O[6]-2:O[6]-2:	N[5,5](Ga[3x5,6,6]N[5,5]N[5,6]2O[6]2)(C[5]C[5]HH)2(H)	C[5](N[5,5]Ga[3x5,6,6]C[5]H)(C[5]N[5,5]HH)(H)2	Ga[3x5,6,6](N[5,6]C[5]C[6])2(N[5,5]C[5]2H)2(O[6]C[6])2	N[5,5](Ga[3x5,6,6]N[5,5]N[5,6]2O[6]2)(C[5]C[5]HH)2(H){2|C<4>,4|C<3>,5|H<1>}	C[5](N[5,5]Ga[3x5,6,6]C[5]H)(C[5]N[5,5]HH)(H)2{2|C<4>,2|N<3>,2|O<2>,3|H<1>}	Ga[3x5,6,6](N[5,6]C[5]C[6])2(N[5,5]C[5]2H)2(O[6]C[6])2{12|H<1>,2|C<3>,4|C<4>}	109.3380	0.000	1	109.3380	0.000	1	107.0840	10.161	2	107.0840	10.161	2	107.0840	10.161	2	107.4537	4.716	46
999	474	578	5:SP3_SP3_SPD6	N[5,5]	C[5]	Ga[3x5,6,6]	6:4:4:1:	4:4:1:1:	3:3:4:4:2:2:	Ga[3x5,6,6]-6:C[5]-4:C[5]-4:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,6]-3:N[5,6]-3:N[5,5]-4:N[5,5]-4:O[6]-2:O[6]-2:	N[5,5](Ga[3x5,6,6]N[5,5]N[5,6]2O[6]2)(C[5]C[5]HH)2(H)	C[5](N[5,5]Ga[3x5,6,6]C[5]H)(C[5]N[5,6]HH)(H)2	Ga[3x5,6,6](N[5,6]C[5]C[6])2(N[5,5]C[5]2H)2(O[6]C[6])2	N[5,5](Ga[3x5,6,6]N[5,5]N[5,6]2O[6]2)(C[5]C[5]HH)2(H){2|C<4>,4|C<3>,5|H<1>}	C[5](N[5,5]Ga[3x5,6,6]C[5]H)(C[5]N[5,6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|N<4>,2|H<1>,2|O<2>}	Ga[3x5,6,6](N[5,6]C[5]C[6])2(N[5,5]C[5]2H)2(O[6]C[6])2{12|H<1>,2|C<3>,4|C<4>}	104.8300	0.000	1	104.8300	0.000	1	107.0840	10.161	2	107.0840	10.161	2	107.0840	10.161	2	107.4537	4.716	46
999	474	578	5:SP3_SP3_SPD6	N[5,5]	C[5]	Ga[3x5]	6:4:4:1:	4:3:1:1:	3:3:4:4:1:1:	Ga[3x5]-6:C[5]-4:C[5]-4:H-1:	N[5,5]-4:C[5,6]-3:H-1:H-1:	N[5,6]-3:N[5,6]-3:N[5,5]-4:N[5,5]-4:Cl-1:Cl-1:	N[5,5](Ga[3x5]N[5,5]N[5,6]2Cl2)(C[5]C[5,6]HH)(C[5]C[5]HH)(H)	C[5](N[5,5]Ga[3x5]C[5]H)(C[5,6]N[5,6]C[6])(H)2	Ga[3x5](N[5,6]C[5,6]C[6])2(N[5,5]C[5]2H)2(Cl)2	N[5,5](Ga[3x5]N[5,5]N[5,6]2Cl2)(C[5]C[5,6]HH)(C[5]C[5]HH)(H){1|C<4>,3|H<1>,4|C<3>}	C[5](N[5,5]Ga[3x5]C[5]H)(C[5,6]N[5,6]C[6])(H)2{2|Cl<1>,1|C<4>,1|N<3>,1|N<4>,2|C<3>,3|H<1>}	Ga[3x5](N[5,6]C[5,6]C[6])2(N[5,5]C[5]2H)2(Cl)2{10|H<1>,4|C<3>}	108.3390	0.395	2	108.3390	0.156	2	108.3390	0.156	2	108.3390	0.156	2	107.3868	3.371	10	107.4537	4.716	46
999	474	578	5:SP3_SP3_SPD6	N[5,5]	C[5]	Ga[3x5]	6:4:4:1:	4:4:1:1:	3:3:4:4:1:1:	Ga[3x5]-6:C[5]-4:C[5]-4:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,6]-3:N[5,6]-3:N[5,5]-4:N[5,5]-4:Cl-1:Cl-1:	N[5,5](Ga[3x5]N[5,5]N[5,6]2Cl2)(C[5]C[5,6]HH)(C[5]C[5]HH)(H)	C[5](N[5,5]Ga[3x5]C[5]H)(C[5]N[5,5]HH)(H)2	Ga[3x5](N[5,6]C[5,6]C[6])2(N[5,5]C[5]2H)2(Cl)2	N[5,5](Ga[3x5]N[5,5]N[5,6]2Cl2)(C[5]C[5,6]HH)(C[5]C[5]HH)(H){1|C<4>,3|H<1>,4|C<3>}	C[5](N[5,5]Ga[3x5]C[5]H)(C[5]N[5,5]HH)(H)2{2|Cl<1>,1|C<3>,1|C<4>,2|N<3>,3|H<1>}	Ga[3x5](N[5,6]C[5,6]C[6])2(N[5,5]C[5]2H)2(Cl)2{10|H<1>,4|C<3>}	108.6020	0.464	2	108.6020	0.215	2	108.6020	0.215	2	108.6020	0.215	2	107.3868	3.371	10	107.4537	4.716	46
999	474	578	5:SP3_SP3_SPD6	N[5,5]	C[5]	Ga[3x5]	6:4:4:4:	4:4:1:1:	4:4:4:1:1:1:	Ga[3x5]-6:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:N[5,5]-4:N[5,5]-4:F-1:F-1:F-1:	N[5,5](Ga[3x5]N[5,5]2F3)(C[5]C[5]HH)2(CH3)	C[5](N[5,5]Ga[3x5]C[5]C)(C[5]N[5,5]HH)(H)2	Ga[3x5](N[5,5]C[5]2C)3(F)3	N[5,5](Ga[3x5]N[5,5]2F3)(C[5]C[5]HH)2(CH3){4|C<4>,4|H<1>}	C[5](N[5,5]Ga[3x5]C[5]C)(C[5]N[5,5]HH)(H)2{1|N<4>,2|H<1>,3|C<4>,3|F<1>}	Ga[3x5](N[5,5]C[5]2C)3(F)3{12|H<1>}	106.6643	2.101	6	106.6643	4.413	6	106.6643	4.413	6	106.6643	4.413	6	107.3868	3.371	10	107.4537	4.716	46
999	474	578	5:SP3_SP3_SPD6	N[5,5]	C[5]	Ga[4x5,6,6]	6:4:4:1:	4:4:1:1:	4:4:4:4:2:2:	Ga[4x5,6,6]-6:C[5]-4:C[5]-4:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5,6]-4:N[5,5,6]-4:N[5,5]-4:N[5,5]-4:O[6]-2:O[6]-2:	N[5,5](Ga[4x5,6,6]N[5,5,6]2N[5,5]O[6]2)(C[5]C[5]HH)2(H)	C[5](N[5,5]Ga[4x5,6,6]C[5]H)(C[5]N[5,5,6]HH)(H)2	Ga[4x5,6,6](N[5,5,6]C[5]2C[6])2(N[5,5]C[5]2H)2(O[6]C[6,6a])2	N[5,5](Ga[4x5,6,6]N[5,5,6]2N[5,5]O[6]2)(C[5]C[5]HH)2(H){2|C<3>,5|H<1>,6|C<4>}	C[5](N[5,5]Ga[4x5,6,6]C[5]H)(C[5]N[5,5,6]HH)(H)2{2|H<1>,2|N<4>,2|O<2>,3|C<4>}	Ga[4x5,6,6](N[5,5,6]C[5]2C[6])2(N[5,5]C[5]2H)2(O[6]C[6,6a])2{20|H<1>,4|C<3>}	106.6990	2.093	4	106.6990	4.380	4	106.6990	4.380	4	106.6990	4.380	4	106.6990	4.380	4	107.4537	4.716	46
999	474	578	5:SP3_SP3_SPD6	N[5,5]	C[5]	Ga[4x5]	6:4:4:1:	4:4:1:1:	4:4:4:4:1:1:	Ga[4x5]-6:C[5]-4:C[5]-4:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:N[5,5]-4:N[5,5]-4:N[5,5]-4:Cl-1:Cl-1:	N[5,5](Ga[4x5]N[5,5]3Cl2)(C[5]C[5]HH)2(H)	C[5](N[5,5]Ga[4x5]C[5]H)(C[5]N[5,5]HH)(H)2	Ga[4x5](N[5,5]C[5]2H)4(Cl)2	N[5,5](Ga[4x5]N[5,5]3Cl2)(C[5]C[5]HH)2(H){4|C<4>,7|H<1>}	C[5](N[5,5]Ga[4x5]C[5]H)(C[5]N[5,5]HH)(H)2{2|Cl<1>,2|C<4>,2|N<4>,3|H<1>}	Ga[4x5](N[5,5]C[5]2H)4(Cl)2{16|H<1>}	108.6506	2.039	8	108.6506	4.159	8	108.6506	4.159	8	108.6506	4.159	8	107.7364	6.952	10	107.4537	4.716	46
999	474	578	5:SP3_SP3_SPD6	N[5,5]	C[5]	Ga[4x5]	6:4:4:4:	4:3:1:1:	4:4:2:2:2:2:	Ga[4x5]-6:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C[5]-3:H-1:H-1:	N[5,5]-4:N[5,5]-4:O[5]-2:O[5]-2:O[5]-2:O[5]-2:	N[5,5](Ga[4x5]N[5,5]O[5]4)(C[5]C[5]HH)2(CCHH)	C[5](N[5,5]Ga[4x5]C[5]C)(C[5]O[5]O)(H)2	Ga[4x5](N[5,5]C[5]2C)2(O[5]C[5])4	N[5,5](Ga[4x5]N[5,5]O[5]4)(C[5]C[5]HH)2(CCHH){2|C<3>,2|O<1>,3|C<4>}	C[5](N[5,5]Ga[4x5]C[5]C)(C[5]O[5]O)(H)2{1|C<3>,1|N<4>,2|H<1>,3|O<2>}	Ga[4x5](N[5,5]C[5]2C)2(O[5]C[5])4{4|O<1>,8|H<1>}	104.0795	0.172	2	104.0795	0.030	2	104.0795	0.030	2	104.0795	0.030	2	107.7364	6.952	10	107.4537	4.716	46
999	474	578	5:SP3_SP3_SPD6	N[5,5]	C[5]	Ga[5x5]	6:4:4:1:	4:3:1:1:	3:3:4:3:2:2:	Ga[5x5]-6:C[5]-4:C[5]-4:H-1:	N[5,5]-4:C[5,6]-3:H-1:H-1:	N[5,5,6]-3:N[5,5,6]-3:N[5,5]-4:N[5,5]-3:O[5]-2:O[5]-2:	N[5,5](Ga[5x5]N[5,5,6]2N[5,5]O[5]2)(C[5]C[5,6]HH)(C[5]C[5]HH)(H)	C[5](N[5,5]Ga[5x5]C[5]H)(C[5,6]N[5,5,6]C[6])(H)2	Ga[5x5](N[5,5,6]C[5,6]2)2(N[5,5]C[5]2H)(N[5,5]C[5]2)(O[5]C[5])2	N[5,5](Ga[5x5]N[5,5,6]2N[5,5]O[5]2)(C[5]C[5,6]HH)(C[5]C[5]HH)(H){1|C<4>,2|H<1>,6|C<3>}	C[5](N[5,5]Ga[5x5]C[5]H)(C[5,6]N[5,5,6]C[6])(H)2{1|C<4>,2|C<3>,2|N<3>,2|O<2>,3|H<1>}	Ga[5x5](N[5,5,6]C[5,6]2)2(N[5,5]C[5]2H)(N[5,5]C[5]2)(O[5]C[5])2{2|O<1>,4|C<3>,8|H<1>}	109.9190	0.000	1	109.9190	0.000	1	109.9190	0.000	1	109.9190	0.000	1	108.1005	6.614	2	107.4537	4.716	46
999	474	578	5:SP3_SP3_SPD6	N[5,5]	C[5]	Ga[5x5]	6:4:4:1:	4:4:1:1:	3:3:4:3:2:2:	Ga[5x5]-6:C[5]-4:C[5]-4:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5,6]-3:N[5,5,6]-3:N[5,5]-4:N[5,5]-3:O[5]-2:O[5]-2:	N[5,5](Ga[5x5]N[5,5,6]2N[5,5]O[5]2)(C[5]C[5,6]HH)(C[5]C[5]HH)(H)	C[5](N[5,5]Ga[5x5]C[5]H)(C[5]N[5,5]HH)(H)2	Ga[5x5](N[5,5,6]C[5,6]2)2(N[5,5]C[5]2H)(N[5,5]C[5]2)(O[5]C[5])2	N[5,5](Ga[5x5]N[5,5,6]2N[5,5]O[5]2)(C[5]C[5,6]HH)(C[5]C[5]HH)(H){1|C<4>,2|H<1>,6|C<3>}	C[5](N[5,5]Ga[5x5]C[5]H)(C[5]N[5,5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>,2|N<3>,2|O<2>}	Ga[5x5](N[5,5,6]C[5,6]2)2(N[5,5]C[5]2H)(N[5,5]C[5]2)(O[5]C[5])2{2|O<1>,4|C<3>,8|H<1>}	106.2820	0.000	1	106.2820	0.000	1	106.2820	0.000	1	106.2820	0.000	1	108.1005	6.614	2	107.4537	4.716	46
999	474	578	5:SP3_SP3_SPD6	N[5,6,6]	C[5]	Ga[3x5,3x6]	6:4:4:1:	4:3:1:1:	4:4:4:2:2:2:	Ga[3x5,3x6]-6:C[3x6]-4:C[5]-4:H-1:	N[5,6,6]-4:C[5]-3:H-1:H-1:	N[5,6,6]-4:N[5,6,6]-4:N[5,6,6]-4:O[5]-2:O[5]-2:O[5]-2:	N[5,6,6](Ga[3x5,3x6]N[5,6,6]2O[5]3)(C[3x6]C[6,6]2H)(C[5]C[5]HH)(H)	C[5](N[5,6,6]Ga[3x5,3x6]C[3x6]H)(C[5]O[5]O)(H)2	Ga[3x5,3x6](N[5,6,6]C[3x6]C[5]H)3(O[5]C[5])3	N[5,6,6](Ga[3x5,3x6]N[5,6,6]2O[5]3)(C[3x6]C[6,6]2H)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,4|C<4>,6|H<1>}	C[5](N[5,6,6]Ga[3x5,3x6]C[3x6]H)(C[5]O[5]O)(H)2{1|H<1>,2|C<4>,2|N<4>,2|O<2>}	Ga[3x5,3x6](N[5,6,6]C[3x6]C[5]H)3(O[5]C[5])3{3|C<4>,3|O<1>,9|H<1>}	108.5420	0.000	1	108.5420	0.000	1	108.5420	0.000	1	108.5420	0.000	1	108.5420	0.000	1	107.4537	4.716	46
999	474	578	5:SP3_SP3_SPD6	N[5,6]	C[5]	Ga[3x5,6,6]	6:4:4:1:	4:4:1:1:	3:4:4:4:2:2:	Ga[3x5,6,6]-6:C[6]-4:C[5]-4:H-1:	N[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-3:N[5,6]-4:N[5,6]-4:N[3x5]-4:O[6]-2:O[6]-2:	N[5,6](Ga[3x5,6,6]N[3x5]N[5,6]2O[6]2)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H)	C[5](N[5,6]Ga[3x5,6,6]C[6]H)(C[5]N[3x5]HH)(H)2	Ga[3x5,6,6](N[5,6]C[5,6]C[6])(N[5,6]C[5]C[6]H)2(N[3x5]C[5]3)(O[6]C[6,6a])2	N[5,6](Ga[3x5,6,6]N[3x5]N[5,6]2O[6]2)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H){3|H<1>,4|C<4>,5|C<3>}	C[5](N[5,6]Ga[3x5,6,6]C[6]H)(C[5]N[3x5]HH)(H)2{1|C<3>,1|N<3>,1|N<4>,2|C<4>,2|H<1>,2|O<2>}	Ga[3x5,6,6](N[5,6]C[5,6]C[6])(N[5,6]C[5]C[6]H)2(N[3x5]C[5]3)(O[6]C[6,6a])2{15|H<1>,6|C<3>}	109.2435	1.968	4	109.2435	3.875	4	109.2435	3.875	4	109.2435	3.875	4	109.2435	3.875	4	107.4537	4.716	46
999	474	610	0:SP3_SP3_SP3	N[5,5,6]	C[5,6]	B	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,5]-3:C[5,6]-4:C[5,6]-4:B-4:	N[5,5,6]-4:C[5,6]-4:H-1:H-1:	N[5,5,6]-4:F-1:F-1:F-1:	N[5,5,6](C[5,5]C[5,5,6]O)(C[5,6]C[5,6]HH)2(BF3)	C[5,6](N[5,5,6]C[5,5]C[5,6]B)(C[5,6]C[5,5,6]HH)(H)2	B(N[5,5,6]C[5,5]C[5,6]2)(F)3	N[5,5,6](C[5,5]C[5,5,6]O)(C[5,6]C[5,6]HH)2(BF3){5|H<1>}	C[5,6](N[5,5,6]C[5,5]C[5,6]B)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|O<1>,3|H<1>}	B(N[5,5,6]C[5,5]C[5,6]2)(F)3	114.5360	0.000	1	114.5360	0.000	1	114.5360	0.000	1	114.5360	0.000	1	114.5360	0.000	1	112.2282	6.907	38
999	474	610	0:SP3_SP3_SP3	N[5,5]	C[4x5]	B	4:4:4:4:	4:4:4:4:	4:1:1:1:	C[4x5]-4:C[5]-4:C[5]-4:B-4:	C[5,5]-4:C[5,5]-4:C[5,5]-4:N[5,5]-4:	N[5,5]-4:H-1:H-1:H-1:	N[5,5](C[4x5]C[5,5]3)(C[5]C[5]HH)2(BH3)	C[4x5](C[5,5]C[5]2H)3(N[5,5]C[5]2B)	B(N[5,5]C[4x5]C[5]2)(H)3	N[5,5](C[4x5]C[5,5]3)(C[5]C[5]HH)2(BH3){4|C<4>,7|H<1>}	C[4x5](C[5,5]C[5]2H)3(N[5,5]C[5]2B){16|H<1>}	B(N[5,5]C[4x5]C[5]2)(H)3	118.1140	0.000	1	118.1140	0.000	1	118.1140	0.000	1	118.1140	0.000	1	118.1140	0.000	1	112.2282	6.907	38
999	474	610	0:SP3_SP3_SP3	N[5,5]	C[5,5]	B	4:4:4:4:	4:4:4:1:	4:1:1:1:	B[5,5]-4:C[5,5]-4:C[5]-4:B-4:	N[5,5]-4:C[5]-4:C[5]-4:H-1:	N[5,5]-4:H-1:H-1:H-1:	N[5,5](B[5,5]N[5,5]O[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)(BH3)	C[5,5](N[5,5]B[5,5]C[5]B)(C[5]C[6a]2O[5])(C[5]C[5]HH)(H)	B(N[5,5]B[5,5]C[5,5]C[5])(H)3	N[5,5](B[5,5]N[5,5]O[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)(BH3){2|C<3>,3|C<4>,5|H<1>}	C[5,5](N[5,5]B[5,5]C[5]B)(C[5]C[6a]2O[5])(C[5]C[5]HH)(H){1|N<4>,1|O<2>,4|C<3>,4|H<1>}	B(N[5,5]B[5,5]C[5,5]C[5])(H)3	110.9700	0.000	1	110.9700	0.000	1	110.9700	0.000	1	111.6190	0.842	2	111.6190	0.842	2	112.2282	6.907	38
999	474	610	0:SP3_SP3_SP3	N[5,5]	C[5,5]	B	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[5,5]-4:C[5]-4:C[5]-4:B-4:	N[5,5]-4:C[5]-4:C[5]-4:H-1:	N[5,5]-4:H-1:H-1:H-1:	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)2(BH3)	C[5,5](N[5,5]C[5]2B)(C[5]C[5]HO)2(H)	B(N[5,5]C[5,5]C[5]2)(H)3	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)2(BH3){3|O<2>,5|H<1>}	C[5,5](N[5,5]C[5]2B)(C[5]C[5]HO)2(H){1|O<2>,7|H<1>}	B(N[5,5]C[5,5]C[5]2)(H)3	112.2680	0.000	1	112.2680	0.000	1	112.2680	0.000	1	111.6190	0.842	2	111.6190	0.842	2	112.2282	6.907	38
999	474	610	0:SP3_SP3_SP3	N[5,5]	C[5]	B	4:4:4:4:	4:4:1:1:	4:1:1:1:	B[5,5,6]-4:C[5]-4:C[5]-4:B-4:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:H-1:H-1:H-1:	N[5,5](B[5,5,6]N[5,6]O[5]O[6])(C[5]C[5]CH)(C[5]C[5]HH)(BH3)	C[5](N[5,5]B[5,5,6]C[5]B)(C[5]N[5,6]CH)(H)2	B(N[5,5]B[5,5,6]C[5]2)(H)3	N[5,5](B[5,5,6]N[5,6]O[5]O[6])(C[5]C[5]CH)(C[5]C[5]HH)(BH3){1|B<4>,1|C<3>,2|C<4>,3|H<1>}	C[5](N[5,5]B[5,5,6]C[5]B)(C[5]N[5,6]CH)(H)2{1|B<4>,1|H<1>,2|O<2>,3|C<4>}	B(N[5,5]B[5,5,6]C[5]2)(H)3	109.1480	0.000	1	109.1480	0.000	1	109.1480	0.000	1	109.3700	0.957	6	109.5494	1.023	7	112.2282	6.907	38
999	474	610	0:SP3_SP3_SP3	N[5,5]	C[5]	B	4:4:4:4:	4:4:1:1:	4:1:1:1:	B[5,5]-4:C[5,5]-4:C[5]-4:B-4:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:H-1:H-1:H-1:	N[5,5](B[5,5]N[5,5]O[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)(BH3)	C[5](N[5,5]B[5,5]C[5,5]B)(C[5]C[5]HH)(H)2	B(N[5,5]B[5,5]C[5,5]C[5])(H)3	N[5,5](B[5,5]N[5,5]O[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)(BH3){2|C<3>,3|C<4>,5|H<1>}	C[5](N[5,5]B[5,5]C[5,5]B)(C[5]C[5]HH)(H)2{1|C<4>,1|N<4>,2|O<2>,3|H<1>}	B(N[5,5]B[5,5]C[5,5]C[5])(H)3	108.2830	0.000	1	108.2830	0.000	1	108.2830	0.000	1	109.3700	0.957	6	109.5494	1.023	7	112.2282	6.907	38
999	474	610	0:SP3_SP3_SP3	N[5,5]	C[5]	B	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[4x5]-4:C[5]-4:C[5]-4:B-4:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:H-1:H-1:H-1:	N[5,5](C[4x5]C[5,5]3)(C[5]C[5]HH)2(BH3)	C[5](N[5,5]C[4x5]C[5]B)(C[5]C[5,5]HH)(H)2	B(N[5,5]C[4x5]C[5]2)(H)3	N[5,5](C[4x5]C[5,5]3)(C[5]C[5]HH)2(BH3){4|C<4>,7|H<1>}	C[5](N[5,5]C[4x5]C[5]B)(C[5]C[5,5]HH)(H)2{3|H<1>,4|C<4>}	B(N[5,5]C[4x5]C[5]2)(H)3	108.9215	0.547	2	108.9215	0.299	2	108.9215	0.299	2	109.3700	0.957	6	109.5494	1.023	7	112.2282	6.907	38
999	474	610	0:SP3_SP3_SP3	N[5,5]	C[5]	B	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,5]-4:C[5]-4:C[5]-4:B-4:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:H-1:H-1:H-1:	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)2(BH3)	C[5](N[5,5]C[5,5]C[5]B)(C[5]C[5]HH)(H)2	B(N[5,5]C[5,5]C[5]2)(H)3	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)2(BH3){3|O<2>,5|H<1>}	C[5](N[5,5]C[5,5]C[5]B)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,4|H<1>}	B(N[5,5]C[5,5]C[5]2)(H)3	110.9310	0.000	1	110.9310	0.000	1	110.4730	0.420	2	109.3700	0.957	6	109.5494	1.023	7	112.2282	6.907	38
999	474	610	0:SP3_SP3_SP3	N[5,5]	C[5]	B	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,5]-4:C[5]-4:C[5]-4:B-4:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:H-1:H-1:H-1:	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)2(BH3)	C[5](N[5,5]C[5,5]C[5]B)(C[5]C[5]HO)(H)2	B(N[5,5]C[5,5]C[5]2)(H)3	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)2(BH3){3|O<2>,5|H<1>}	C[5](N[5,5]C[5,5]C[5]B)(C[5]C[5]HO)(H)2{1|O<2>,2|C<4>,4|H<1>}	B(N[5,5]C[5,5]C[5]2)(H)3	110.0150	0.000	1	110.0150	0.000	1	110.4730	0.420	2	109.3700	0.957	6	109.5494	1.023	7	112.2282	6.907	38
999	474	610	0:SP3_SP3_SP3	N[5,5]	C[5]	B	4:4:4:4:	4:4:4:1:	4:1:1:1:	B[5,5,6]-4:C[5]-4:C[5]-4:B-4:	N[5,5]-4:C[5]-4:C-4:H-1:	N[5,5]-4:H-1:H-1:H-1:	N[5,5](B[5,5,6]N[5,6]O[5]O[6])(C[5]C[5]CH)(C[5]C[5]HH)(BH3)	C[5](N[5,5]B[5,5,6]C[5]B)(C[5]O[5]HH)(CH3)(H)	B(N[5,5]B[5,5,6]C[5]2)(H)3	N[5,5](B[5,5,6]N[5,6]O[5]O[6])(C[5]C[5]CH)(C[5]C[5]HH)(BH3){1|B<4>,1|C<3>,2|C<4>,3|H<1>}	C[5](N[5,5]B[5,5,6]C[5]B)(C[5]O[5]HH)(CH3)(H){1|C<4>,1|N<4>,1|O<2>,2|H<1>}	B(N[5,5]B[5,5,6]C[5]2)(H)3	110.6260	0.000	1	110.6260	0.000	1	110.6260	0.000	1	110.6260	0.000	1	109.5494	1.023	7	112.2282	6.907	38
999	474	610	0:SP3_SP3_SP3	N[5,6]	C[5,6]	B	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[5,6]-4:C[5,6]-4:B-4:C-4:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:H-1:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]H)2(BH3)(CH3)	C[5,6](N[5,6]C[5,6]BC)(C[5]C[5]HH)(C[6]C[6]HH)(H)	B(N[5,6]C[5,6]2C)(H)3	N[5,6](C[5,6]C[5]C[6]H)2(BH3)(CH3){1|C<4>,8|H<1>}	C[5,6](N[5,6]C[5,6]BC)(C[5]C[5]HH)(C[6]C[6]HH)(H){2|C<4>,4|H<1>}	B(N[5,6]C[5,6]2C)(H)3	112.6805	0.593	2	112.6805	0.352	2	112.6805	0.352	2	112.6805	0.352	2	112.6805	0.352	2	112.2282	6.907	38
999	474	610	0:SP3_SP3_SP3	N[5]	C[5]	B	3:4:4:1:	4:4:1:1:	4:3:3:3:	C[5,6a]-3:C[5]-4:B-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:C[6a]-3:C[6a]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(BC[6a]3)(H)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]BH)(H)2	B(N[5]C[5,6a]C[5]H)(C[6a]C[6a]2)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(BC[6a]3)(H){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]BH)(H)2{2|C<3>}	B(N[5]C[5,6a]C[5]H)(C[6a]C[6a]2)3	113.1700	0.000	1	113.1700	0.000	1	113.1700	0.000	1	113.1700	0.000	1	112.6631	6.339	25	112.2282	6.907	38
999	474	610	0:SP3_SP3_SP3	N[5]	C[5]	B	4:4:4:1:	4:4:1:1:	3:3:3:4:	C[5]-4:C[5]-4:B-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:N[5]-4:	N[5](C[5]C[5]HH)2(BC[6a]3)(H)	C[5](C[5]C[5]HH)(N[5]C[5]BH)(H)2	B(C[6a]C[6a]2)3(N[5]C[5]2H)	N[5](C[5]C[5]HH)2(BC[6a]3)(H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]BH)(H)2{4|H<1>}	B(C[6a]C[6a]2)3(N[5]C[5]2H)	115.5730	0.109	4	115.5730	0.012	4	115.5730	0.012	4	115.5730	0.012	4	112.6631	6.339	25	112.2282	6.907	38
999	474	610	0:SP3_SP3_SP3	N[5]	C[5]	B	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[5]-4:C[5]-4:B-4:C-4:	C[5,6a]-3:N[5]-4:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(BH3)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]BC)(H)2	B(N[5]C[5]2C)(H)3	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(BH3)(CH3){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]BC)(H)2{1|C<4>,2|C<3>,2|H<1>}	B(N[5]C[5]2C)(H)3	109.0630	0.000	1	109.0630	0.000	1	110.3547	1.538	3	110.3547	1.538	3	112.6631	6.339	25	112.2282	6.907	38
999	474	610	0:SP3_SP3_SP3	N[5]	C[5]	B	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[5]-4:C[5]-4:B-4:C-4:	C[5,6a]-3:N[5]-4:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5]C[5,6a]SiH)(C[5]C[5,6a]HH)(BH3)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]BC)(H)2	B(N[5]C[5]2C)(H)3	N[5](C[5]C[5,6a]SiH)(C[5]C[5,6a]HH)(BH3)(CH3){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]BC)(H)2{1|Si<4>,2|C<3>,2|H<1>}	B(N[5]C[5]2C)(H)3	111.0005	0.757	2	111.0005	0.574	2	110.3547	1.538	3	110.3547	1.538	3	112.6631	6.339	25	112.2282	6.907	38
999	474	610	0:SP3_SP3_SP3	N[5]	C[5]	B	4:4:4:4:	3:4:4:1:	4:1:1:1:	C[5]-4:C[5]-4:B-4:C-4:	C[5,6a]-3:N[5]-4:C-4:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(BH3)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]BC)(CH3)(H)	B(N[5]C[5]2C)(H)3	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(BH3)(CH3){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]BC)(CH3)(H){2|C<3>,3|H<1>}	B(N[5]C[5]2C)(H)3	113.4690	0.000	1	113.4690	0.000	1	113.4690	0.000	1	114.2520	4.095	3	112.6631	6.339	25	112.2282	6.907	38
999	474	610	0:SP3_SP3_SP3	N[5]	C[5]	B	4:4:4:4:	3:4:4:1:	4:1:1:1:	C[5]-4:C[5]-4:B-4:C-4:	C[5,6a]-3:N[5]-4:Si-4:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5]C[5,6a]SiH)(C[5]C[5,6a]HH)(BH3)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]BC)(SiC3)(H)	B(N[5]C[5]2C)(H)3	N[5](C[5]C[5,6a]SiH)(C[5]C[5,6a]HH)(BH3)(CH3){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]BC)(SiC3)(H){2|C<3>,3|H<1>}	B(N[5]C[5]2C)(H)3	114.6435	2.696	2	114.6435	7.269	2	114.6435	7.269	2	114.2520	4.095	3	112.6631	6.339	25	112.2282	6.907	38
999	474	610	0:SP3_SP3_SP3	N[5]	C[5]	B	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5]-4:C[5]-4:B-4:B-4:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5]C[5]HH)2(BH3)2	C[5](C[5]C[5]HH)(N[5]C[5]BB)(H)2	B(N[5]C[5]2B)(H)3	N[5](C[5]C[5]HH)2(BH3)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]BB)(H)2{4|H<1>}	B(N[5]C[5]2B)(H)3	111.2035	0.636	4	111.2035	0.405	4	111.2035	0.405	4	110.9139	0.410	7	112.6631	6.339	25	112.2282	6.907	38
999	474	610	0:SP3_SP3_SP3	N[5]	C[5]	B	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:B-4:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH)(BH3)	C[5](C[5]C[5]HH)(N[5]C[5]BC)(H)2	B(N[5]C[5]2C)(H)3	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH)(BH3){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]BC)(H)2{1|C<4>,3|H<1>}	B(N[5]C[5]2C)(H)3	110.5940	0.000	1	110.5940	0.000	1	110.5940	0.000	1	110.9139	0.410	7	112.6631	6.339	25	112.2282	6.907	38
999	474	610	0:SP3_SP3_SP3	N[5]	C[5]	B	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5]-4:C[5]-4:Si-4:B-4:	N[5]-4:C[5]-4:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5]C[5]HH)2(SiC3)(BH3)	C[5](N[5]C[5]SiB)(C[5]C[5]HH)(H)2	B(N[5]C[5]2Si)(H)3	N[5](C[5]C[5]HH)2(SiC3)(BH3){4|H<1>}	C[5](N[5]C[5]SiB)(C[5]C[5]HH)(H)2{4|H<1>}	B(N[5]C[5]2Si)(H)3	110.4945	0.674	2	110.4945	0.454	2	110.4945	0.454	2	110.9139	0.410	7	112.6631	6.339	25	112.2282	6.907	38
999	474	610	0:SP3_SP3_SP3	N[5]	C[5]	B	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:B-4:C-4:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:C-4:H-1:H-1:	N[5](C[5]C[5]HH)2(BCHH)(CH3)	C[5](C[5]C[5]HH)(N[5]C[5]BC)(H)2	B(N[5]C[5]2C)(CC[6a]CH)(H)2	N[5](C[5]C[5]HH)2(BCHH)(CH3){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]BC)(H)2{4|H<1>}	B(N[5]C[5]2C)(CC[6a]CH)(H)2	113.3645	3.360	4	113.3645	11.287	4	113.3645	11.287	4	113.3645	11.287	4	112.6631	6.339	25	112.2282	6.907	38
999	474	610	0:SP3_SP3_SP3	N[5]	C[5]	B	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:B-4:	C[5]-4:N[5]-4:C-4:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH)(BH3)	C[5](C[5]C[5]HH)(N[5]C[5]BC)(CCHH)(H)	B(N[5]C[5]2C)(H)3	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH)(BH3){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]BC)(CCHH)(H){4|H<1>}	B(N[5]C[5]2C)(H)3	114.0810	0.000	1	114.0810	0.000	1	114.0810	0.000	1	114.0810	0.000	1	112.6631	6.339	25	112.2282	6.907	38
999	474	610	0:SP3_SP3_SP3	N[5]	C[5]	B	4:4:4:5:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:B-4:B-5:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:N[5]-4:H-1:H-1:	N[5](C[5]C[5]HH)2(BN[5]HH)(BMgH3)	C[5](C[5]C[5]HH)(N[5]C[5]BB)(H)2	B(N[5]C[5]2Mg)(N[5]C[5]2B)(H)2	N[5](C[5]C[5]HH)2(BN[5]HH)(BMgH3){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]BB)(H)2{4|H<1>}	B(N[5]C[5]2Mg)(N[5]C[5]2B)(H)2	111.6800	4.417	2	111.6800	19.506	2	111.6800	19.506	2	111.6800	19.506	2	112.6631	6.339	25	112.2282	6.907	38
999	474	643	0:SP3_SP2_SP3	N[5,6]	C[5]	C[6,6a]	3:4:4:4:	4:4:1:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[5]-4:C[5]-4:	N[5,6]-4:C[5]-4:H-1:H-1:	C[6,6a]-3:N[5,6]-4:C[6a]-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[6]B[5,6]FF)(C[5]C[5]HH)2	C[5](N[5,6]C[6,6a]C[5]C[6])(C[5]C[5]HH)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(N[5,6]C[5]2C[6])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[6]B[5,6]FF)(C[5]C[5]HH)2{2|C<3>,3|O<2>,5|H<1>}	C[5](N[5,6]C[6,6a]C[5]C[6])(C[5]C[5]HH)(H)2{1|B<4>,2|C<3>,2|F<1>,4|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(N[5,6]C[5]2C[6])(C[6a]C[6a]H){1|B<4>,1|C<3>,2|C<4>,2|F<1>,6|H<1>}	111.4115	2.375	2	111.4115	5.641	2	111.4115	5.641	2	111.4115	5.641	2	111.4115	5.641	2	110.8153	3.887	3
999	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:4:	4:4:1:1:	4:3:3:	B[5]-4:C[6a]-3:C[5]-4:C-4:	N[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[6a]-3:C[6a]-3:	N[5](B[5]C[6a]2C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(CCHH)	C[5](N[5]C[6a]B[5]C)(C[5]C[5]HH)(H)2	C[6a](N[5]B[5]C[5]C)(C[6a]C[6a]H)2	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>}	C[5](N[5]C[6a]B[5]C)(C[5]C[5]HH)(H)2{2|H<1>,4|C<3>}	C[6a](N[5]B[5]C[5]C)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	109.6230	0.000	1	109.6230	0.000	1	109.6230	0.000	1	109.6230	0.000	1	109.6230	0.000	1	110.8153	3.887	3
999	474	679	5:SP3_SP3_SP3	N[5]	C[5]	B[5,6a]	4:4:1:1:	4:3:1:1:	3:3:4:2:	B[5,6a]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-3:H-1:H-1:	C[6a,6a]-3:N[5,6a]-3:N[5]-4:O-2:	N[5](B[5,6a]C[6a,6a]N[5,6a]O)(C[5]C[5]HH)(H)2	C[5](N[5]B[5,6a]HH)(C[5]N[5,6a]O)(H)2	B[5,6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[6a]C[5])(N[5]C[5]HH)(OH)	N[5](B[5,6a]C[6a,6a]N[5,6a]O)(C[5]C[5]HH)(H)2{1|N<2>,1|O<1>,2|C<3>}	C[5](N[5]B[5,6a]HH)(C[5]N[5,6a]O)(H)2{1|C<3>,1|N<2>,1|O<2>}	B[5,6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[6a]C[5])(N[5]C[5]HH)(OH){1|O<1>,3|C<3>,3|H<1>}	107.3120	0.313	2	107.3120	0.098	2	107.3120	0.098	2	107.3120	0.098	2	104.4863	6.306	7	104.4863	6.306	7
999	474	679	5:SP3_SP3_SP3	N[5]	C[5]	B[5,6a]	4:4:1:1:	4:3:4:1:	3:3:4:2:	B[5,6a]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-3:C-4:H-1:	C[6a,6a]-3:N[5,6a]-3:N[5]-4:O-2:	N[5](B[5,6a]C[6a,6a]N[5,6a]O)(C[5]C[5]CH)(H)2	C[5](N[5]B[5,6a]HH)(C[5]N[5,6a]O)(CC[6a]HH)(H)	B[5,6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[6a]C[5])(N[5]C[5]HH)(OH)	N[5](B[5,6a]C[6a,6a]N[5,6a]O)(C[5]C[5]CH)(H)2{1|N<2>,1|O<1>,2|C<3>}	C[5](N[5]B[5,6a]HH)(C[5]N[5,6a]O)(CC[6a]HH)(H){1|C<3>,1|N<2>,1|O<2>}	B[5,6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[6a]C[5])(N[5]C[5]HH)(OH){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	105.8670	0.000	1	105.8670	0.000	1	105.8670	0.000	1	105.8670	0.000	1	104.4863	6.306	7	104.4863	6.306	7
999	474	679	5:SP3_SP3_SP3	N[5]	C[5]	B[5,6a]	4:4:4:4:	3:4:1:1:	3:4:2:2:	B[5,6a]-4:C[5]-4:C-4:C-4:	C[5,6a]-3:N[5]-4:H-1:H-1:	C[5,6a]-3:N[5]-4:O[6a]-2:O[6a]-2:	N[5](B[5,6a]C[5,6a]O[6a]2)(C[5]C[5,6a]HH)(CH3)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5,6a]CC)(H)2	B[5,6a](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(O[6a]B[6a])2	N[5](B[5,6a]C[5,6a]O[6a]2)(C[5]C[5,6a]HH)(CH3)2{2|B<3>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5,6a]CC)(H)2{1|H<1>,2|C<3>,2|O<2>}	B[5,6a](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(O[6a]B[6a])2{1|O<2>,3|H<1>,4|C<3>}	103.3100	1.312	3	103.3100	1.721	3	103.3100	1.721	3	103.3100	1.721	3	104.4863	6.306	7	104.4863	6.306	7
999	474	679	5:SP3_SP3_SP3	N[5]	C[5]	B[5,6a]	4:4:4:4:	4:3:4:1:	3:3:4:2:	B[5,6a]-4:C[5]-4:C-4:C-4:	N[5]-4:C[5]-3:C-4:H-1:	C[6a,6a]-3:N[5,6a]-3:N[5]-4:O-2:	N[5](B[5,6a]C[6a,6a]N[5,6a]O)(C[5]C[5]CH)(CH3)2	C[5](N[5]B[5,6a]CC)(C[5]N[5,6a]O)(CC[6a]HH)(H)	B[5,6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[6a]C[5])(N[5]C[5]CC)(OH)	N[5](B[5,6a]C[6a,6a]N[5,6a]O)(C[5]C[5]CH)(CH3)2{1|N<2>,1|O<1>,2|C<3>}	C[5](N[5]B[5,6a]CC)(C[5]N[5,6a]O)(CC[6a]HH)(H){1|C<3>,1|N<2>,1|O<2>}	B[5,6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[6a]C[5])(N[5]C[5]CC)(OH){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	100.9830	0.000	1	100.9830	0.000	1	100.9830	0.000	1	100.9830	0.000	1	104.4863	6.306	7	104.4863	6.306	7
999	474	727	0:SP3_SP2_SP3	N[5,5]	C[5]	C[5,6a]	3:4:4:1:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:C[5,6a]-3:C[6a]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	C[5](N[5,5]C[5,6a]C[5,5]H)(C[5]C[5]HH)(H)2	C[5,6a](N[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]HH)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[5](N[5,5]C[5,6a]C[5,5]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](N[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,7|H<1>}	115.1850	0.000	1	115.1850	0.000	1	115.1850	0.000	1	115.1850	0.000	1	115.1850	0.000	1	115.1850	0.000	1
999	474	727	5:SP3_SP2_SP3	N[5,5]	C[5,5]	C[5,6a]	3:4:4:1:	4:4:4:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	N[5,5]-4:C[5]-4:C[5]-4:H-1:	N[5,5]-4:C[5,6a]-3:C[6a]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	C[5,5](N[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5]CO)(H)	C[5,6a](N[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]HH)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[5,5](N[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5]CO)(H){2|C<3>,4|H<1>}	C[5,6a](N[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,7|H<1>}	106.3300	0.000	1	106.3300	0.000	1	106.3300	0.000	1	106.3300	0.000	1	106.3300	0.000	1	104.1899	1.055	12
999	474	727	5:SP3_SP2_SP3	N[5,6]	C[5,6]	C[5,6a]	3:4:4:1:	4:4:4:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:C[5,6a]-3:C[6a]-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[5,6](N[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HH)(C[6]C[6]CO)(H)	C[5,6a](N[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[5,6](N[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HH)(C[6]C[6]CO)(H){1|C<4>,2|C<3>,4|H<1>}	C[5,6a](N[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,7|H<1>}	103.5420	0.000	1	103.5420	0.000	1	103.5420	0.000	1	103.5420	0.000	1	103.5420	0.000	1	104.1899	1.055	12
999	474	727	5:SP3_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6]-4:N[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]HH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]HH)(H)2{2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]HH){1|Br<1>,1|C<3>,2|C<4>,3|H<1>}	104.2210	0.000	1	104.2210	0.000	1	104.2210	0.000	1	104.2210	0.000	1	104.0407	0.709	10	104.1899	1.055	12
999	474	727	5:SP3_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]HH)(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]HH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(H)2{1|H<1>,2|C<4>,4|C<3>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]HH)(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]HH){2|C<3>,2|C<4>,3|H<1>}	103.7810	0.000	1	103.7810	0.000	1	103.7810	0.000	1	103.7810	0.000	1	104.0407	0.709	10	104.1899	1.055	12
999	474	727	5:SP3_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:B-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(BC[6a]3)(H)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]BH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]BH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(BC[6a]3)(H){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]BH)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]BH){1|C<3>,6|H<1>}	103.3220	0.000	1	103.3220	0.000	1	103.3220	0.000	1	103.3220	0.000	1	104.0407	0.709	10	104.1899	1.055	12
999	474	727	5:SP3_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:4:	3:4:2:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5,6a]-3:N[5]-4:O-2:H-1:	C[5,6a,6a]-3:C[6a]-3:N[5]-4:	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HO)(CH3)2	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]CC)(OH)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]C[5]CC)	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HO)(CH3)2{1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]CC)(OH)(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)(N[5]C[5]CC){1|O<2>,2|H<1>,3|C<3>}	104.8745	0.129	2	104.8745	0.017	2	104.8745	0.017	2	104.8745	0.017	2	104.0407	0.709	10	104.1899	1.055	12
999	474	727	5:SP3_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:4:	3:4:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5,6a]-3:N[5]-4:C[5]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:N[5]-4:	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5]H)(CH3)2	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]CC)(C[5]C[5]2)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]C[5]CC)	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5]H)(CH3)2{1|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]CC)(C[5]C[5]2)(H){1|H<1>,2|C<4>,2|O<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]C[5]CC){2|H<1>,4|C<3>}	104.1230	1.165	2	104.1230	1.358	2	104.1230	1.358	2	104.2235	0.553	4	104.0407	0.709	10	104.1899	1.055	12
999	474	727	5:SP3_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:4:	3:4:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5,6a]-3:N[5]-4:C[6]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:N[5]-4:	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6]H)(CH3)2	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]CC)(C[6]C[6]2)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]C[5]CC)	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6]H)(CH3)2{1|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]CC)(C[6]C[6]2)(H){1|H<1>,2|C<4>,2|O<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]C[5]CC){2|H<1>,4|C<3>}	104.6840	0.000	1	104.3240	0.259	2	104.3240	0.259	2	104.2235	0.553	4	104.0407	0.709	10	104.1899	1.055	12
999	474	727	5:SP3_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:4:	3:4:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5,6a]-3:N[5]-4:C[6]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:N[5]-4:	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6]H)(CH3)2	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]CC)(C[6]C[6]2)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]C[5]CC)	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6]H)(CH3)2{1|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]CC)(C[6]C[6]2)(H){1|H<1>,2|N<3>,2|O<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]C[5]CC){2|H<1>,4|C<3>}	103.9640	0.000	1	104.3240	0.259	2	104.3240	0.259	2	104.2235	0.553	4	104.0407	0.709	10	104.1899	1.055	12
999	474	727	5:SP3_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	B[5,5]-4:N[5]-4:F-1:F-1:	C[5,6a]-3:C[6a]-3:N[5]-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]B[5,5]FF)(CH3)2	C[5](B[5,5]C[5,6a]O[5]2)(N[5]C[5,6a]CC)(F)2	C[5,6a](C[5,6a]B[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]CC)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]B[5,5]FF)(CH3)2{1|H<1>,2|C<3>,2|O<2>}	C[5](B[5,5]C[5,6a]O[5]2)(N[5]C[5,6a]CC)(F)2{2|C<3>,2|C<4>}	C[5,6a](C[5,6a]B[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]CC){1|C<3>,2|F<1>,2|H<1>,2|O<2>}	102.4400	0.000	1	102.4400	0.000	1	102.4400	0.000	1	102.4400	0.000	1	104.0407	0.709	10	104.1899	1.055	12
999	474	786	0:SP3_SP3_SP3	N[5,5]	C[5]	B[5,5]	4:4:4:1:	4:4:1:1:	3:4:2:2:	B[5,5]-4:C[5,5]-4:C[5]-4:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:N[5,5]-4:O[5]-2:O[5]-2:	N[5,5](B[5,5]C[5,6a]O[5]2)(C[5,5]C[5,6a]N[5]H)(C[5]C[5]HH)(H)	C[5](N[5,5]B[5,5]C[5,5]H)(C[5]N[5]CC)(H)2	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	N[5,5](B[5,5]C[5,6a]O[5]2)(C[5,5]C[5,6a]N[5]H)(C[5]C[5]HH)(H){1|H<1>,2|C<3>,4|C<4>}	C[5](N[5,5]B[5,5]C[5,5]H)(C[5]N[5]CC)(H)2{2|C<3>,2|H<1>,2|O<2>}	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>}	115.8100	0.000	1	115.8100	0.000	1	117.4530	8.370	4	117.4530	8.370	4	116.3927	11.763	6	116.5485	8.485	8
999	474	786	0:SP3_SP3_SP3	N[5,5]	C[5]	B[5,5]	4:4:4:1:	4:4:1:1:	3:4:2:2:	B[5,5]-4:C[5,5]-4:C[5]-4:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:N[5,5]-4:O[5]-2:O[5]-2:	N[5,5](B[5,5]C[5,6a]O[5]2)(C[5,5]C[5,6a]N[5]H)(C[5]C[5]HH)(H)	C[5](N[5,5]B[5,5]C[5,5]H)(C[5]N[5]HH)(H)2	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	N[5,5](B[5,5]C[5,6a]O[5]2)(C[5,5]C[5,6a]N[5]H)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,3|H<1>}	C[5](N[5,5]B[5,5]C[5,5]H)(C[5]N[5]HH)(H)2{2|C<3>,2|H<1>,2|O<2>}	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>}	119.8940	0.035	2	118.0007	10.755	3	117.4530	8.370	4	117.4530	8.370	4	116.3927	11.763	6	116.5485	8.485	8
999	474	786	0:SP3_SP3_SP3	N[5,5]	C[5]	B[5,5]	4:4:4:1:	4:4:1:1:	3:4:2:2:	B[5,5]-4:C[5,5]-4:C[5]-4:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:N[5,5]-4:O[5]-2:O[5]-2:	N[5,5](B[5,5]C[5,6a]O[5]2)(C[5,5]C[5,6a]N[5]H)(C[5]C[5]HH)(H)	C[5](N[5,5]B[5,5]C[5,5]H)(C[5]N[5]HH)(H)2	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	N[5,5](B[5,5]C[5,6a]O[5]2)(C[5,5]C[5,6a]N[5]H)(C[5]C[5]HH)(H){2|C<4>,2|H<1>,3|C<3>}	C[5](N[5,5]B[5,5]C[5,5]H)(C[5]N[5]HH)(H)2{1|H<1>,2|O<2>,3|C<3>}	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>}	114.2140	0.000	1	118.0007	10.755	3	117.4530	8.370	4	117.4530	8.370	4	116.3927	11.763	6	116.5485	8.485	8
999	474	786	0:SP3_SP3_SP3	N[5,5]	C[5]	B[5,5]	4:4:4:1:	4:4:1:1:	4:4:2:2:	B[5,5]-4:C[5,5]-4:C[5]-4:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:N[5,5]-4:O[5]-2:O[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)	C[5](N[5,5]B[5,5]C[5,5]H)(C[5]C[5]HH)(H)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	N[5,5](B[5,5]N[5,5]O[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)(H){1|B<4>,2|C<3>,3|C<4>,4|H<1>}	C[5](N[5,5]B[5,5]C[5,5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|N<4>,2|O<2>,3|H<1>}	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>}	117.4510	0.000	1	117.4510	0.000	1	117.4510	0.000	1	117.4510	0.000	1	116.3927	11.763	6	116.5485	8.485	8
999	474	786	0:SP3_SP3_SP3	N[5,5]	C[5]	B[5,5]	4:4:4:4:	4:4:1:1:	4:4:2:2:	B[5,5]-4:C[5,5]-4:C[5]-4:B-4:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:N[5,5]-4:O[5]-2:O[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)(BH3)	C[5](N[5,5]B[5,5]C[5,5]B)(C[5]C[5]HH)(H)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	N[5,5](B[5,5]N[5,5]O[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)(BH3){2|C<3>,3|C<4>,5|H<1>}	C[5](N[5,5]B[5,5]C[5,5]B)(C[5]C[5]HH)(H)2{1|C<4>,1|N<4>,2|O<2>,3|H<1>}	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>}	111.0930	0.000	1	111.0930	0.000	1	111.0930	0.000	1	111.0930	0.000	1	116.3927	11.763	6	116.5485	8.485	8
999	474	786	0:SP3_SP3_SP3	N[5,5]	C[5]	B[5]	4:4:4:1:	4:4:4:1:	3:4:2:2:	C[5,5]-4:B[5]-4:C[5]-4:H-1:	N[5,5]-4:C[5]-4:C-4:H-1:	C[5,6a]-3:N[5,5]-4:O-2:O-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)	C[5](N[5,5]C[5,5]B[5]H)(C[5]O[5]HH)(CCHH)(H)	B[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5]H)(OC[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>}	C[5](N[5,5]C[5,5]B[5]H)(C[5]O[5]HH)(CCHH)(H){1|H<1>,2|C<3>,2|O<2>}	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>}	117.0160	0.000	2	117.0160	0.000	2	117.0160	0.000	2	117.0160	0.000	2	117.0160	0.000	2	116.5485	8.485	8
999	474	786	5:SP3_SP3_SP3	N[3x5,6]	C[5,5,6]	B[3x5]	4:4:4:4:	4:4:4:1:	4:4:2:2:	B[3x5]-4:C[5,5,6]-4:C[5,5,6]-4:C-4:	N[3x5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:N[3x5,6]-4:O[5]-2:O[5]-2:	N[3x5,6](B[3x5]C[5,5,6]O[5]2)(C[5,5,6]C[5,6]C[5]H)2(CC[6a]HH)	C[5,5,6](N[3x5,6]C[5,5,6]B[3x5]C)(C[5,6]C[5,5,6]HH)(C[5]C[5]HH)(H)	B[3x5](C[5,5,6]C[5,6]2C[6a])(N[3x5,6]C[5,5,6]2C)(O[5]C[5])2	N[3x5,6](B[3x5]C[5,5,6]O[5]2)(C[5,5,6]C[5,6]C[5]H)2(CC[6a]HH){1|C<3>,1|S<2>,2|C<4>,7|H<1>}	C[5,5,6](N[3x5,6]C[5,5,6]B[3x5]C)(C[5,6]C[5,5,6]HH)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	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>}	104.6110	0.000	1	104.6110	0.000	1	104.1390	0.446	2	104.1390	0.446	2	104.1390	0.446	2	103.4999	4.035	211
999	474	786	5:SP3_SP3_SP3	N[3x5,6]	C[5,5,6]	B[3x5]	4:4:4:4:	4:4:4:1:	4:4:2:2:	B[3x5]-4:C[5,5,6]-4:C[5,5,6]-4:C-4:	N[3x5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:N[3x5,6]-4:O[5]-2:O[5]-2:	N[3x5,6](B[3x5]C[5,5,6]O[5]2)(C[5,5,6]C[5,6]C[5]H)2(CC[6a]HH)	C[5,5,6](N[3x5,6]C[5,5,6]B[3x5]C)(C[5,6]C[5,5,6]HS)(C[5]C[5]HH)(H)	B[3x5](C[5,5,6]C[5,6]2C[6a])(N[3x5,6]C[5,5,6]2C)(O[5]C[5])2	N[3x5,6](B[3x5]C[5,5,6]O[5]2)(C[5,5,6]C[5,6]C[5]H)2(CC[6a]HH){1|C<3>,1|S<2>,2|C<4>,7|H<1>}	C[5,5,6](N[3x5,6]C[5,5,6]B[3x5]C)(C[5,6]C[5,5,6]HS)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	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>}	103.6670	0.000	1	103.6670	0.000	1	104.1390	0.446	2	104.1390	0.446	2	104.1390	0.446	2	103.4999	4.035	211
999	474	786	5:SP3_SP3_SP3	N[3x5]	C[5,5]	B[5,5]	4:4:4:1:	4:3:2:1:	3:4:2:2:	B[5,5]-4:C[5,5]-4:C[5,5]-4:H-1:	N[3x5]-4:C[5,6a]-3:O[5]-2:H-1:	C[5,6a]-3:N[3x5]-4:O[5]-2:O-2:	N[3x5](B[5,5]C[5,6a]O[5]O)(C[5,5]C[5,6a]O[5]H)(C[5,5]C[5]2C)(H)	C[5,5](N[3x5]B[5,5]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)	B[5,5](C[5,6a]C[5,6a]C[6a])(N[3x5]C[5,5]2H)(O[5]C[5])(OH)	N[3x5](B[5,5]C[5,6a]O[5]O)(C[5,5]C[5,6a]O[5]H)(C[5,5]C[5]2C)(H){2|C<3>,4|H<1>}	C[5,5](N[3x5]B[5,5]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	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>}	109.2740	0.000	1	109.2740	0.000	1	109.2740	0.000	1	108.2337	0.844	3	107.5885	2.395	8	103.4999	4.035	211
999	474	786	5:SP3_SP3_SP3	N[3x5]	C[5,5]	B[5,5]	4:4:4:1:	4:3:2:1:	3:4:2:2:	B[5,5]-4:C[5,5]-4:C[5,5]-4:H-1:	N[3x5]-4:C[5,6a]-3:S[5]-2:H-1:	C[5,6a]-3:N[3x5]-4:O[5]-2:O-2:	N[3x5](B[5,5]C[5,6a]O[5]O)(C[5,5]C[5,6a]S[5]H)(C[5,5]C[5]2H)(H)	C[5,5](N[3x5]B[5,5]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(S[5]C[5])(H)	B[5,5](C[5,6a]C[5,6a]C[6a])(N[3x5]C[5,5]2H)(O[5]C[5])(OH)	N[3x5](B[5,5]C[5,6a]O[5]O)(C[5,5]C[5,6a]S[5]H)(C[5,5]C[5]2H)(H){1|O<1>,2|C<3>,2|H<1>}	C[5,5](N[3x5]B[5,5]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(S[5]C[5])(H){2|O<2>,3|C<3>,4|H<1>}	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>}	107.7135	0.254	2	107.7135	0.064	2	107.7135	0.064	2	108.2337	0.844	3	107.5885	2.395	8	103.4999	4.035	211
999	474	786	5:SP3_SP3_SP3	N[3x5]	C[5,5]	B[5,5]	4:4:4:1:	4:3:2:4:	3:4:2:2:	B[5,5]-4:C[5,5]-4:C[5,5]-4:H-1:	N[3x5]-4:C[5,6a]-3:O[5]-2:C-4:	C[5,6a]-3:N[3x5]-4:O[5]-2:O-2:	N[3x5](B[5,5]C[5,6a]O[5]O)(C[5,5]C[5,6a]O[5]C)(C[5,5]C[5]2C)(H)	C[5,5](N[3x5]B[5,5]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CH3)	B[5,5](C[5,6a]C[5,6a]C[6a])(N[3x5]C[5,5]2H)(O[5]C[5])(OH)	N[3x5](B[5,5]C[5,6a]O[5]O)(C[5,5]C[5,6a]O[5]C)(C[5,5]C[5]2C)(H){2|C<3>,4|H<1>}	C[5,5](N[3x5]B[5,5]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CH3){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	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>}	110.0170	0.000	1	110.0170	0.000	1	110.0170	0.000	1	110.0170	0.000	1	107.5885	2.395	8	103.4999	4.035	211
999	474	786	5:SP3_SP3_SP3	N[3x5]	C[5,5]	B[5,5]	4:4:4:1:	4:4:3:1:	3:4:2:2:	B[5,5]-4:C[5,5]-4:C[5,5]-4:H-1:	N[3x5]-4:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:N[3x5]-4:O[5]-2:O-2:	N[3x5](B[5,5]C[5,6a]O[5]O)(C[5,5]C[5,6a]S[5]H)(C[5,5]C[5]2H)(H)	C[5,5](N[3x5]B[5,5]C[5,5]H)(C[5]S[5]HH)(C[5]O[5]O)(H)	B[5,5](C[5,6a]C[5,6a]C[6a])(N[3x5]C[5,5]2H)(O[5]C[5])(OH)	N[3x5](B[5,5]C[5,6a]O[5]O)(C[5,5]C[5,6a]S[5]H)(C[5,5]C[5]2H)(H){1|O<1>,2|C<3>,2|H<1>}	C[5,5](N[3x5]B[5,5]C[5,5]H)(C[5]S[5]HH)(C[5]O[5]O)(H){1|H<1>,1|O<2>,2|C<3>}	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>}	107.3820	0.133	2	107.3820	0.018	2	107.3820	0.018	2	107.3820	0.018	2	107.5885	2.395	8	103.4999	4.035	211
999	474	786	5:SP3_SP3_SP3	N[3x5]	C[5,5]	B[5,5]	4:4:4:1:	4:4:4:4:	3:4:2:2:	B[5,5]-4:C[5,5]-4:C[5,5]-4:H-1:	N[3x5]-4:C[5]-4:C[5]-4:C-4:	C[5,6a]-3:N[3x5]-4:O[5]-2:O-2:	N[3x5](B[5,5]C[5,6a]O[5]O)(C[5,5]C[5,6a]O[5]C)(C[5,5]C[5]2C)(H)	C[5,5](N[3x5]B[5,5]C[5,5]H)(C[5]O[5]HH)2(CHHO)	B[5,5](C[5,6a]C[5,6a]C[6a])(N[3x5]C[5,5]2H)(O[5]C[5])(OH)	N[3x5](B[5,5]C[5,6a]O[5]O)(C[5,5]C[5,6a]O[5]C)(C[5,5]C[5]2C)(H){2|C<3>,4|H<1>}	C[5,5](N[3x5]B[5,5]C[5,5]H)(C[5]O[5]HH)2(CHHO){1|C<4>,1|O<2>,2|C<3>}	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>}	105.5060	0.000	1	105.5060	0.000	1	105.6130	0.023	2	105.6130	0.023	2	107.5885	2.395	8	103.4999	4.035	211
999	474	786	5:SP3_SP3_SP3	N[3x5]	C[5,5]	B[5,5]	4:4:4:1:	4:4:4:4:	3:4:2:2:	B[5,5]-4:C[5,5]-4:C[5,5]-4:H-1:	N[3x5]-4:C[5]-4:C[5]-4:C-4:	C[5,6a]-3:N[3x5]-4:O[5]-2:O-2:	N[3x5](B[5,5]C[5,6a]O[5]O)(C[5,5]C[5,6a]O[5]H)(C[5,5]C[5]2C)(H)	C[5,5](N[3x5]B[5,5]C[5,5]H)(C[5]O[5]HH)2(CHHO)	B[5,5](C[5,6a]C[5,6a]C[6a])(N[3x5]C[5,5]2H)(O[5]C[5])(OH)	N[3x5](B[5,5]C[5,6a]O[5]O)(C[5,5]C[5,6a]O[5]H)(C[5,5]C[5]2C)(H){2|C<3>,4|H<1>}	C[5,5](N[3x5]B[5,5]C[5,5]H)(C[5]O[5]HH)2(CHHO){1|H<1>,1|O<2>,2|C<3>}	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>}	105.7200	0.000	1	105.7200	0.000	1	105.6130	0.023	2	105.6130	0.023	2	107.5885	2.395	8	103.4999	4.035	211
999	474	786	5:SP3_SP3_SP3	N[3x5]	C[5]	B[3x5]	4:4:4:4:	4:4:1:1:	4:2:2:2:	B[3x5]-4:C[5]-4:C[5]-4:C[5]-4:	N[3x5]-4:C[5]-4:H-1:H-1:	N[3x5]-4:O[5]-2:O[5]-2:O[5]-2:	N[3x5](B[3x5]O[5]3)(C[5]C[5]HH)3	C[5](N[3x5]B[3x5]C[5]2)(C[5]O[5]HH)(H)2	B[3x5](N[3x5]C[5]3)(O[5]C[5])3	N[3x5](B[3x5]O[5]3)(C[5]C[5]HH)3{6|H<1>}	C[5](N[3x5]B[3x5]C[5]2)(C[5]O[5]HH)(H)2{2|C<4>,2|O<2>,4|H<1>}	B[3x5](N[3x5]C[5]3)(O[5]C[5])3{12|H<1>}	103.3703	0.207	3	103.3703	0.043	3	103.3703	0.043	3	103.3703	0.043	3	103.3703	0.043	3	103.4999	4.035	211
999	474	786	5:SP3_SP3_SP3	N[5,5,6]	C[5,6]	B[5,5,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	B[5,5,6]-4:B[5,5,6]-4:C[5,6]-4:H-1:	B[5,5,6]-4:N[5,5,6]-4:H-1:H-1:	N[5,5,6]-4:N[5,5,6]-4:C[5,6]-4: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)	C[5,6](B[5,5,6]N[5,5,6]2H)(N[5,5,6]B[5,5,6]2H)(H)2	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){1|B<4>,1|C<4>,1|N<4>,7|H<1>}	C[5,6](B[5,5,6]N[5,5,6]2H)(N[5,5,6]B[5,5,6]2H)(H)2{1|B<4>,1|N<4>,3|C<4>,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){1|B<4>,1|C<4>,1|N<4>,7|H<1>}	107.8110	3.884	3	107.8110	15.089	3	107.8110	15.089	3	107.8110	15.089	3	107.8110	15.089	3	103.4999	4.035	211
999	474	786	5:SP3_SP3_SP3	N[5,5]	C[5,5]	B[5,5]	4:4:3:1:	3:4:3:4:	3:4:2:2:	B[5,5]-4:C[5,5]-4:N[5]-3:H-1:	C[5,6a]-3:N[5,5]-4:N[5]-3:C-4:	C[5,6a]-3:N[5,5]-4:O[5]-2:O[5]-2:	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)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]B[5,5]N[5]H)(N[5]C[6a]C[5])(CH3)	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	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>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]B[5,5]N[5]H)(N[5]C[6a]C[5])(CH3){1|C<4>,1|H<1>,1|S<1>,2|O<2>,4|C<3>}	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>}	107.9095	0.962	2	107.9095	0.926	2	107.9095	0.926	2	107.9095	0.926	2	107.2881	4.521	8	103.4999	4.035	211
999	474	786	5:SP3_SP3_SP3	N[5,5]	C[5,5]	B[5,5]	4:4:4:1:	3:4:3:1:	3:4:2:2:	B[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,6a]-3:N[5,5]-4:N[5]-3:H-1:	C[5,6a]-3:N[5,5]-4:O[5]-2:O[5]-2:	N[5,5](B[5,5]C[5,6a]O[5]2)(C[5,5]C[5,6a]N[5]H)(C[5]C[5]HH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]B[5,5]C[5]H)(N[5]C[5]H)(H)	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	N[5,5](B[5,5]C[5,6a]O[5]2)(C[5,5]C[5,6a]N[5]H)(C[5]C[5]HH)(H){1|H<1>,2|C<3>,4|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]B[5,5]C[5]H)(N[5]C[5]H)(H){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	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>}	108.7640	0.000	1	108.8507	0.042	3	108.6273	0.227	4	108.6273	0.227	4	107.2881	4.521	8	103.4999	4.035	211
999	474	786	5:SP3_SP3_SP3	N[5,5]	C[5,5]	B[5,5]	4:4:4:1:	3:4:3:1:	3:4:2:2:	B[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,6a]-3:N[5,5]-4:N[5]-3:H-1:	C[5,6a]-3:N[5,5]-4:O[5]-2:O[5]-2:	N[5,5](B[5,5]C[5,6a]O[5]2)(C[5,5]C[5,6a]N[5]H)(C[5]C[5]HH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]B[5,5]C[5]H)(N[5]C[5]H)(H)	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	N[5,5](B[5,5]C[5,6a]O[5]2)(C[5,5]C[5,6a]N[5]H)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]B[5,5]C[5]H)(N[5]C[5]H)(H){2|C<3>,2|O<2>,5|H<1>}	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>}	108.8940	0.269	2	108.8507	0.042	3	108.6273	0.227	4	108.6273	0.227	4	107.2881	4.521	8	103.4999	4.035	211
999	474	786	5:SP3_SP3_SP3	N[5,5]	C[5,5]	B[5,5]	4:4:4:1:	3:4:3:1:	3:4:2:2:	B[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,6a]-3:N[5,5]-4:N[5]-3:H-1:	C[5,6a]-3:N[5,5]-4:O[5]-2:O[5]-2:	N[5,5](B[5,5]C[5,6a]O[5]2)(C[5,5]C[5,6a]N[5]H)(C[5]C[5]HH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]B[5,5]C[5]H)(N[5]C[6a]C[5])(H)	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	N[5,5](B[5,5]C[5,6a]O[5]2)(C[5,5]C[5,6a]N[5]H)(C[5]C[5]HH)(H){2|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]B[5,5]C[5]H)(N[5]C[6a]C[5])(H){2|O<2>,4|C<3>,5|H<1>}	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>}	107.9570	0.000	1	107.9570	0.000	1	108.6273	0.227	4	108.6273	0.227	4	107.2881	4.521	8	103.4999	4.035	211
999	474	786	5:SP3_SP3_SP3	N[5,5]	C[5,5]	B[5,5]	4:4:4:1:	4:4:4:1:	4:4:2:2:	B[5,5]-4:C[5,5]-4:C[5]-4:H-1:	N[5,5]-4:C[5]-4:C[5]-4:H-1:	N[5,5]-4:N[5,5]-4:O[5]-2:O[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)	C[5,5](N[5,5]B[5,5]C[5]H)(C[5]C[6a]2O[5])(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	N[5,5](B[5,5]N[5,5]O[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)(H){1|B<4>,2|C<3>,3|C<4>,4|H<1>}	C[5,5](N[5,5]B[5,5]C[5]H)(C[5]C[6a]2O[5])(C[5]C[5]HH)(H){1|N<4>,1|O<2>,4|C<3>,4|H<1>}	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>}	103.5890	0.000	1	103.5890	0.000	1	103.5890	0.000	1	103.5890	0.000	1	107.2881	4.521	8	103.4999	4.035	211
999	474	786	5:SP3_SP3_SP3	N[5,5]	C[5,5]	B[5,5]	4:4:4:4:	4:4:4:1:	4:4:2:2:	B[5,5]-4:C[5,5]-4:C[5]-4:B-4:	N[5,5]-4:C[5]-4:C[5]-4:H-1:	N[5,5]-4:N[5,5]-4:O[5]-2:O[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)(BH3)	C[5,5](N[5,5]B[5,5]C[5]B)(C[5]C[6a]2O[5])(C[5]C[5]HH)(H)	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)(BH3){2|C<3>,3|C<4>,5|H<1>}	C[5,5](N[5,5]B[5,5]C[5]B)(C[5]C[6a]2O[5])(C[5]C[5]HH)(H){1|N<4>,1|O<2>,4|C<3>,4|H<1>}	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>}	104.3880	0.000	1	104.3880	0.000	1	104.3880	0.000	1	104.3880	0.000	1	107.2881	4.521	8	103.4999	4.035	211
999	474	786	5:SP3_SP3_SP3	N[5,5]	C[5,5]	B[5]	4:4:4:1:	3:4:2:1:	3:4:2:2:	C[5,5]-4:B[5]-4:C[5]-4:H-1:	C[5,6a]-3:N[5,5]-4:O[5]-2:H-1:	C[5,6a]-3:N[5,5]-4:O-2:O-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)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]B[5]C[5]H)(O[5]C[5])(H)	B[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5]H)(OC[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>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]B[5]C[5]H)(O[5]C[5])(H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	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>}	105.9530	0.000	2	105.9530	0.000	2	105.9530	0.000	2	105.9530	0.000	2	105.9530	0.000	2	103.4999	4.035	211
999	474	786	5:SP3_SP3_SP3	N[5,5]	C[5]	B[5,5,6]	4:4:4:4:	4:4:1:1:	4:4:2:2:	B[5,5,6]-4:C[5]-4:C[5]-4:B-4:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,6]-4:N[5,5]-4:O[6]-2:O[5]-2:	N[5,5](B[5,5,6]N[5,6]O[5]O[6])(C[5]C[5]CH)(C[5]C[5]HH)(BH3)	C[5](N[5,5]B[5,5,6]C[5]B)(C[5]N[5,6]CH)(H)2	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[5,5](B[5,5,6]N[5,6]O[5]O[6])(C[5]C[5]CH)(C[5]C[5]HH)(BH3){1|B<4>,1|C<3>,2|C<4>,3|H<1>}	C[5](N[5,5]B[5,5,6]C[5]B)(C[5]N[5,6]CH)(H)2{1|B<4>,1|H<1>,2|O<2>,3|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]){2|C<4>,2|N<3>,8|H<1>}	103.5760	0.000	1	103.5760	0.000	1	103.5760	0.000	1	103.5760	0.000	1	102.5840	1.968	2	103.4999	4.035	211
999	474	786	5:SP3_SP3_SP3	N[5,5]	C[5]	B[5,5,6]	4:4:4:4:	4:4:4:1:	4:4:2:2:	B[5,5,6]-4:C[5]-4:C[5]-4:B-4:	N[5,5]-4:C[5]-4:C-4:H-1:	N[5,6]-4:N[5,5]-4:O[6]-2:O[5]-2:	N[5,5](B[5,5,6]N[5,6]O[5]O[6])(C[5]C[5]CH)(C[5]C[5]HH)(BH3)	C[5](N[5,5]B[5,5,6]C[5]B)(C[5]O[5]HH)(CH3)(H)	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[5,5](B[5,5,6]N[5,6]O[5]O[6])(C[5]C[5]CH)(C[5]C[5]HH)(BH3){1|B<4>,1|C<3>,2|C<4>,3|H<1>}	C[5](N[5,5]B[5,5,6]C[5]B)(C[5]O[5]HH)(CH3)(H){1|C<4>,1|N<4>,1|O<2>,2|H<1>}	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>}	101.5920	0.000	1	101.5920	0.000	1	101.5920	0.000	1	101.5920	0.000	1	102.5840	1.968	2	103.4999	4.035	211
999	474	786	5:SP3_SP3_SP3	N[5,5]	C[5]	B[5,5]	4:4:4:1:	4:4:1:1:	4:2:2:3:	B[5,5]-4:C[5]-4:C[5]-4:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:O[5]-2:O[5]-2:C-3:	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(H)	C[5](N[5,5]B[5,5]C[5]H)(C[5]O[5]HH)(H)2	B[5,5](N[5,5]C[5]2H)(O[5]C[5])2(CCH)	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(H){4|H<1>}	C[5](N[5,5]B[5,5]C[5]H)(C[5]O[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	B[5,5](N[5,5]C[5]2H)(O[5]C[5])2(CCH){8|H<1>}	104.4928	0.974	4	104.4928	0.948	4	104.4928	0.948	4	104.4928	0.948	4	103.0102	1.590	152	103.4999	4.035	211
999	474	786	5:SP3_SP3_SP3	N[5,5]	C[5]	B[5,5]	4:4:4:1:	4:4:1:1:	4:2:2:4:	B[5,5]-4:C[5]-4:C[5]-4:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:O[5]-2:O[5]-2:C-4:	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(H)	C[5](N[5,5]B[5,5]C[5]H)(C[5]O[5]HH)(H)2	B[5,5](N[5,5]C[5]2H)(O[5]C[5])2(CCHH)	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(H){4|H<1>}	C[5](N[5,5]B[5,5]C[5]H)(C[5]O[5]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	B[5,5](N[5,5]C[5]2H)(O[5]C[5])2(CCHH){8|H<1>}	104.4828	0.716	4	104.4828	0.513	4	104.4828	0.513	4	104.4828	0.513	4	103.0102	1.590	152	103.4999	4.035	211
999	474	786	5:SP3_SP3_SP3	N[5,5]	C[5]	B[5,5]	4:4:4:1:	4:4:1:1:	4:3:2:2:	B[5,5]-4:C[5]-4:C[5]-4:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:B[5]-3:O[5]-2:O[5]-2:	N[5,5](B[5,5]B[5]O[5]2)(C[5]C[5]HH)2(H)	C[5](N[5,5]B[5,5]C[5]H)(C[5]O[5]CH)(H)2	B[5,5](N[5,5]C[5]2H)(B[5]O[5]2)(O[5]C[5])2	N[5,5](B[5,5]B[5]O[5]2)(C[5]C[5]HH)2(H){2|C<4>,2|H<1>,2|O<2>}	C[5](N[5,5]B[5,5]C[5]H)(C[5]O[5]CH)(H)2{1|B<3>,1|C<4>,1|O<2>,2|H<1>}	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>}	104.5975	2.139	2	104.5975	4.575	2	104.5975	4.575	2	104.5313	1.495	6	103.0102	1.590	152	103.4999	4.035	211
999	474	786	5:SP3_SP3_SP3	N[5,5]	C[5]	B[5,5]	4:4:4:1:	4:4:1:1:	4:3:2:2:	B[5,5]-4:C[5]-4:C[5]-4:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:C[6a]-3:O[5]-2:O[5]-2:	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(H)	C[5](N[5,5]B[5,5]C[5]H)(C[5]O[5]HH)(H)2	B[5,5](N[5,5]C[5]2H)(C[6a]C[6a]2)(O[5]C[5])2	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(H){2|C<3>,4|H<1>}	C[5](N[5,5]B[5,5]C[5]H)(C[5]O[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	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>}	104.4982	0.981	4	104.4982	0.963	4	104.4982	0.963	4	104.5313	1.495	6	103.0102	1.590	152	103.4999	4.035	211
999	474	786	5:SP3_SP3_SP3	N[5,5]	C[5]	B[5,5]	4:4:4:4:	3:4:1:1:	3:4:4:1:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	C[5,6a]-3:N[5,5]-4:H-1:H-1:	C[5,6a]-3:N[5,5]-4:C[5]-4:H-1:	N[5,5](B[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5]HH)(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]B[5,5]C[5]C)(H)2	B[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2C)(C[5]C[5]CH)(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){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]B[5,5]C[5]C)(H)2{2|C<3>,2|C<4>,4|H<1>}	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>}	105.8190	0.000	1	105.8190	0.000	1	106.0820	0.138	2	106.0820	0.138	2	103.0102	1.590	152	103.4999	4.035	211
999	474	786	5:SP3_SP3_SP3	N[5,5]	C[5]	B[5,5]	4:4:4:4:	3:4:1:1:	3:4:4:1:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	C[5,6a]-3:N[5,5]-4:H-1:H-1:	C[5,6a]-3:N[5,5]-4:C[5]-4:H-1:	N[5,5](B[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5]HH)(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]B[5,5]C[5]C)(H)2	B[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2C)(C[5]C[5]HH)(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){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]B[5,5]C[5]C)(H)2{2|C<3>,2|C<4>,4|H<1>}	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>}	106.3450	0.000	1	106.3450	0.000	1	106.0820	0.138	2	106.0820	0.138	2	103.0102	1.590	152	103.4999	4.035	211
999	474	786	5:SP3_SP3_SP3	N[5,5]	C[5]	B[5,5]	4:4:4:4:	4:3:1:1:	3:4:2:2:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C[5]-3:H-1:H-1:	C[5a]-3:N[5,5]-4:O[5]-2:O[5]-2:	N[5,5](B[5,5]C[5a]O[5]2)(C[5]C[5]HH)2(CH3)	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2	B[5,5](C[5a]C[5a,6a]C[5a])(N[5,5]C[5]2C)(O[5]C[5])2	N[5,5](B[5,5]C[5a]O[5]2)(C[5]C[5]HH)2(CH3){2|C<3>,2|O<1>}	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2{1|O<2>,2|C<3>,2|H<1>}	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>}	104.2925	0.407	2	104.2925	0.165	2	103.0631	1.214	18	103.0063	1.238	22	103.0102	1.590	152	103.4999	4.035	211
999	474	786	5:SP3_SP3_SP3	N[5,5]	C[5]	B[5,5]	4:4:4:4:	4:3:1:1:	3:4:2:2:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C[5]-3:H-1:H-1:	C[5a]-3:N[5,5]-4:O[5]-2:O[5]-2:	N[5,5](B[5,5]C[5a]O[5]2)(C[5]C[5]HH)2(CH3)	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2	B[5,5](C[5a]C[5a]N[5a])(N[5,5]C[5]2C)(O[5]C[5])2	N[5,5](B[5,5]C[5a]O[5]2)(C[5]C[5]HH)2(CH3){1|C<3>,1|N<2>,2|O<1>}	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2{1|O<2>,2|C<3>,2|H<1>}	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>}	102.8550	1.385	2	102.7865	1.278	6	103.0631	1.214	18	103.0063	1.238	22	103.0102	1.590	152	103.4999	4.035	211
999	474	786	5:SP3_SP3_SP3	N[5,5]	C[5]	B[5,5]	4:4:4:4:	4:3:1:1:	3:4:2:2:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C[5]-3:H-1:H-1:	C[5a]-3:N[5,5]-4:O[5]-2:O[5]-2:	N[5,5](B[5,5]C[5a]O[5]2)(C[5]C[5]HH)2(CH3)	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2	B[5,5](C[5a]C[5a]N[5a])(N[5,5]C[5]2C)(O[5]C[5])2	N[5,5](B[5,5]C[5a]O[5]2)(C[5]C[5]HH)2(CH3){1|C<3>,1|N<2>,2|O<1>}	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2{1|O<2>,2|C<3>,2|H<1>}	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>}	102.7523	1.219	4	102.7865	1.278	6	103.0631	1.214	18	103.0063	1.238	22	103.0102	1.590	152	103.4999	4.035	211
999	474	786	5:SP3_SP3_SP3	N[5,5]	C[5]	B[5,5]	4:4:4:4:	4:3:1:1:	3:4:2:2:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C[5]-3:H-1:H-1:	C[5a]-3:N[5,5]-4:O[5]-2:O[5]-2:	N[5,5](B[5,5]C[5a]O[5]2)(C[5]C[5]HH)2(CH3)	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2	B[5,5](C[5a]C[5a]S[5a])(N[5,5]C[5]2C)(O[5]C[5])2	N[5,5](B[5,5]C[5a]O[5]2)(C[5]C[5]HH)2(CH3){1|C<3>,1|S<2>,2|O<1>}	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2{1|O<2>,2|C<3>,2|H<1>}	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>}	102.7300	1.681	2	102.9831	1.170	10	103.0631	1.214	18	103.0063	1.238	22	103.0102	1.590	152	103.4999	4.035	211
999	474	786	5:SP3_SP3_SP3	N[5,5]	C[5]	B[5,5]	4:4:4:4:	4:3:1:1:	3:4:2:2:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C[5]-3:H-1:H-1:	C[5a]-3:N[5,5]-4:O[5]-2:O[5]-2:	N[5,5](B[5,5]C[5a]O[5]2)(C[5]C[5]HH)2(CH3)	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2	B[5,5](C[5a]C[5a]S[5a])(N[5,5]C[5]2C)(O[5]C[5])2	N[5,5](B[5,5]C[5a]O[5]2)(C[5]C[5]HH)2(CH3){1|C<3>,1|S<2>,2|O<1>}	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2{1|O<2>,2|C<3>,2|H<1>}	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>}	102.8088	1.070	4	102.9831	1.170	10	103.0631	1.214	18	103.0063	1.238	22	103.0102	1.590	152	103.4999	4.035	211
999	474	786	5:SP3_SP3_SP3	N[5,5]	C[5]	B[5,5]	4:4:4:4:	4:3:1:1:	3:4:2:2:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C[5]-3:H-1:H-1:	C[5a]-3:N[5,5]-4:O[5]-2:O[5]-2:	N[5,5](B[5,5]C[5a]O[5]2)(C[5]C[5]HH)2(CH3)	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2	B[5,5](C[5a]C[5a]S[5a])(N[5,5]C[5]2C)(O[5]C[5])2	N[5,5](B[5,5]C[5a]O[5]2)(C[5]C[5]HH)2(CH3){1|C<3>,1|S<2>,2|O<1>}	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2{1|O<2>,2|C<3>,2|H<1>}	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>}	103.2840	1.104	4	102.9831	1.170	10	103.0631	1.214	18	103.0063	1.238	22	103.0102	1.590	152	103.4999	4.035	211
999	474	786	5:SP3_SP3_SP3	N[5,5]	C[5]	B[5,5]	4:4:4:4:	4:3:1:1:	3:4:2:2:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C[5]-3:H-1:H-1:	C[6a]-3:N[5,5]-4:O[5]-2:O[5]-2:	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(CH3)	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2	B[5,5](C[6a]C[6a]N[6a])(N[5,5]C[5]2C)(O[5]C[5])2	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(CH3){1|C<3>,1|N<2>,2|O<1>}	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2{1|O<2>,2|C<3>,2|H<1>}	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>}	102.9530	1.567	2	102.7510	1.681	4	102.7510	1.681	4	103.0063	1.238	22	103.0102	1.590	152	103.4999	4.035	211
999	474	786	5:SP3_SP3_SP3	N[5,5]	C[5]	B[5,5]	4:4:4:4:	4:3:1:1:	3:4:2:2:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C[5]-3:H-1:H-1:	C[6a]-3:N[5,5]-4:O[5]-2:O[5]-2:	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(CH3)	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2	B[5,5](C[6a]C[6a]N[6a])(N[5,5]C[5]2C)(O[5]C[5])2	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(CH3){1|C<3>,1|N<2>,2|O<1>}	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2{1|O<2>,2|C<3>,2|H<1>}	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>}	102.5490	1.557	2	102.7510	1.681	4	102.7510	1.681	4	103.0063	1.238	22	103.0102	1.590	152	103.4999	4.035	211
999	474	786	5:SP3_SP3_SP3	N[5,5]	C[5]	B[5,5]	4:4:4:4:	4:3:1:1:	4:2:2:2:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C[5]-3:H-1:H-1:	N[5,5]-4:O[5]-2:O[5]-2:C-2:	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3)	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CC)	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3){2|O<1>}	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2{1|C<2>,1|C<3>,1|O<2>,2|H<1>}	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CC){2|O<1>,4|H<1>}	102.4815	0.661	10	102.4815	0.437	10	102.4815	0.437	10	102.7121	0.592	14	103.0102	1.590	152	103.4999	4.035	211
999	474	786	5:SP3_SP3_SP3	N[5,5]	C[5]	B[5,5]	4:4:4:4:	4:3:1:1:	4:2:2:2:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C[5]-3:H-1:H-1:	N[5,5]-4:O[5]-2:O[5]-2:O-2:	N[5,5](B[5,5]O[5]2O)(C[5]C[5]HH)2(CH3)	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(OC)	N[5,5](B[5,5]O[5]2O)(C[5]C[5]HH)2(CH3){2|O<1>}	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2{1|C<3>,2|H<1>,2|O<2>}	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(OC){2|O<1>,4|H<1>}	103.2887	0.798	4	103.2887	0.637	4	103.2887	0.637	4	102.7121	0.592	14	103.0102	1.590	152	103.4999	4.035	211
999	474	786	5:SP3_SP3_SP3	N[5,5]	C[5]	B[5,5]	4:4:4:4:	4:3:1:1:	4:2:2:3:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C[5]-3:H-1:H-1:	N[5,5]-4:O[5]-2:O[5]-2:C-3:	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3)	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CCC)	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3){2|O<1>}	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2{1|O<2>,2|C<3>,2|H<1>}	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CCC){2|O<1>,4|H<1>}	103.1770	0.823	2	103.1770	0.677	2	103.0657	1.277	22	102.9361	1.366	24	103.0102	1.590	152	103.4999	4.035	211
999	474	786	5:SP3_SP3_SP3	N[5,5]	C[5]	B[5,5]	4:4:4:4:	4:3:1:1:	4:2:2:3:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C[5]-3:H-1:H-1:	N[5,5]-4:O[5]-2:O[5]-2:C-3:	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3)	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CCH)	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3){2|O<1>}	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2{1|O<2>,2|C<3>,2|H<1>}	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CCH){2|O<1>,4|H<1>}	103.1568	1.010	6	103.1568	1.021	6	103.0657	1.277	22	102.9361	1.366	24	103.0102	1.590	152	103.4999	4.035	211
999	474	786	5:SP3_SP3_SP3	N[5,5]	C[5]	B[5,5]	4:4:4:4:	4:3:1:1:	4:2:2:3:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C[5]-3:H-1:H-1:	N[5,5]-4:O[5]-2:O[5]-2:C-3:	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3)	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CCI)	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3){2|O<1>}	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2{1|O<2>,2|C<3>,2|H<1>}	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CCI){2|O<1>,4|H<1>}	103.4765	0.710	4	103.4765	0.504	4	103.0657	1.277	22	102.9361	1.366	24	103.0102	1.590	152	103.4999	4.035	211
999	474	786	5:SP3_SP3_SP3	N[5,5]	C[5]	B[5,5]	4:4:4:4:	4:3:1:1:	4:2:2:3:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C[5]-3:H-1:H-1:	N[5,5]-4:O[5]-2:O[5]-2:C-3:	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3)	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CCO)	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3){2|O<1>}	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2{1|O<2>,2|C<3>,2|H<1>}	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CCO){2|O<1>,4|H<1>}	102.7270	1.673	6	102.7270	2.798	6	103.0657	1.277	22	102.9361	1.366	24	103.0102	1.590	152	103.4999	4.035	211
999	474	786	5:SP3_SP3_SP3	N[5,5]	C[5]	B[5,5]	4:4:4:4:	4:3:1:1:	4:2:2:3:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C[5]-3:H-1:H-1:	N[5,5]-4:O[5]-2:O[5]-2:C-3:	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3)	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CC[5]H)	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3){2|O<1>}	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2{1|O<2>,2|C<3>,2|H<1>}	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CC[5]H){2|O<1>,4|H<1>}	103.5050	0.791	2	103.5050	0.625	2	103.0657	1.277	22	102.9361	1.366	24	103.0102	1.590	152	103.4999	4.035	211
999	474	786	5:SP3_SP3_SP3	N[5,5]	C[5]	B[5,5]	4:4:4:4:	4:3:1:1:	4:2:2:3:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C[5]-3:H-1:H-1:	N[5,5]-4:O[5]-2:O[5]-2:C-3:	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3)	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CC[6a]C)	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3){2|O<1>}	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2{1|O<2>,2|C<3>,2|H<1>}	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CC[6a]C){2|O<1>,4|H<1>}	102.4360	1.512	2	102.4360	2.286	2	103.0657	1.277	22	102.9361	1.366	24	103.0102	1.590	152	103.4999	4.035	211
999	474	786	5:SP3_SP3_SP3	N[5,5]	C[5]	B[5,5]	4:4:4:4:	4:3:1:1:	4:2:2:3:	C[6,6]-4:B[5,5]-4:C[5]-4:C[5]-4:	N[5,5]-4:C[5]-3:H-1:H-1:	N[5,5]-4:O[5]-2:O[5]-2:C-3:	N[5,5](C[6,6]C[6,6]2H)(B[5,5]O[5]2C)(C[5]C[5]HH)2	C[5](N[5,5]B[5,5]C[6,6]C[5])(C[5]O[5]O)(H)2	B[5,5](N[5,5]C[6,6]C[5]2)(O[5]C[5])2(CCH)	N[5,5](C[6,6]C[6,6]2H)(B[5,5]O[5]2C)(C[5]C[5]HH)2{2|O<1>,3|C<4>,3|H<1>}	C[5](N[5,5]B[5,5]C[6,6]C[5])(C[5]O[5]O)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	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>}	101.5110	0.417	2	101.5110	0.174	2	101.5110	0.174	2	102.9361	1.366	24	103.0102	1.590	152	103.4999	4.035	211
999	474	786	5:SP3_SP3_SP3	N[5,5]	C[5]	B[5,5]	4:4:4:4:	4:3:1:1:	4:2:2:4:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C[5]-3:H-1:H-1:	N[5,5]-4:O[5]-2:O[5]-2:C-4:	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3)	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CBrCH)	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3){2|O<1>}	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CBrCH){2|O<1>,4|H<1>}	103.0360	1.253	2	103.0360	1.570	2	103.1949	1.306	12	103.1949	1.306	12	103.0102	1.590	152	103.4999	4.035	211
999	474	786	5:SP3_SP3_SP3	N[5,5]	C[5]	B[5,5]	4:4:4:4:	4:3:1:1:	4:2:2:4:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C[5]-3:H-1:H-1:	N[5,5]-4:O[5]-2:O[5]-2:C-4:	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3)	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CCHI)	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3){2|O<1>}	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CCHI){2|O<1>,4|H<1>}	103.5705	0.916	6	103.5705	0.838	6	103.1949	1.306	12	103.1949	1.306	12	103.0102	1.590	152	103.4999	4.035	211
999	474	786	5:SP3_SP3_SP3	N[5,5]	C[5]	B[5,5]	4:4:4:4:	4:3:1:1:	4:2:2:4:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C[5]-3:H-1:H-1:	N[5,5]-4:O[5]-2:O[5]-2:C-4:	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3)	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CC[6]CH)	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3){2|O<1>}	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CC[6]CH){2|O<1>,4|H<1>}	102.4310	1.954	2	102.4310	3.820	2	103.1949	1.306	12	103.1949	1.306	12	103.0102	1.590	152	103.4999	4.035	211
999	474	786	5:SP3_SP3_SP3	N[5,5]	C[5]	B[5,5]	4:4:4:4:	4:3:1:1:	4:2:2:4:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C[5]-3:H-1:H-1:	N[5,5]-4:O[5]-2:O[5]-2:C-4:	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3)	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CHHN)	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3){2|O<1>}	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CHHN){2|O<1>,4|H<1>}	102.9910	1.624	2	102.9910	2.636	2	103.1949	1.306	12	103.1949	1.306	12	103.0102	1.590	152	103.4999	4.035	211
999	474	786	5:SP3_SP3_SP3	N[5,5]	C[5]	B[5,5]	4:4:4:4:	4:3:1:1:	4:3:2:2:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C[5]-3:H-1:H-1:	N[5,5]-4:C[6a]-3:O[5]-2:O[5]-2:	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(CCHH)	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2	B[5,5](N[5,5]C[5]2C)(C[6a]C[6a]2)(O[5]C[5])2	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(CCHH){2|C<3>,2|O<1>}	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2{1|O<2>,2|C<3>,2|H<1>}	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>}	102.6125	1.418	2	102.6125	2.010	2	103.0647	1.013	18	103.0647	1.013	18	103.0102	1.590	152	103.4999	4.035	211
999	474	786	5:SP3_SP3_SP3	N[5,5]	C[5]	B[5,5]	4:4:4:4:	4:3:1:1:	4:3:2:2:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C[5]-3:H-1:H-1:	N[5,5]-4:C[6a]-3:O[5]-2:O[5]-2:	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(CH3)	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2	B[5,5](N[5,5]C[5]2C)(C[6a]C[6a]2)(O[5]C[5])2	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(CH3){2|C<3>,2|O<1>}	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2{1|O<2>,2|C<3>,2|H<1>}	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>}	103.9410	0.337	2	103.1212	0.984	16	103.0647	1.013	18	103.0647	1.013	18	103.0102	1.590	152	103.4999	4.035	211
999	474	786	5:SP3_SP3_SP3	N[5,5]	C[5]	B[5,5]	4:4:4:4:	4:3:1:1:	4:3:2:2:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C[5]-3:H-1:H-1:	N[5,5]-4:C[6a]-3:O[5]-2:O[5]-2:	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(CH3)	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2	B[5,5](N[5,5]C[5]2C)(C[6a]C[6a]2)(O[5]C[5])2	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(CH3){2|C<3>,2|O<1>}	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2{1|O<2>,2|C<3>,2|H<1>}	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>}	102.5105	1.223	2	103.1212	0.984	16	103.0647	1.013	18	103.0647	1.013	18	103.0102	1.590	152	103.4999	4.035	211
999	474	786	5:SP3_SP3_SP3	N[5,5]	C[5]	B[5,5]	4:4:4:4:	4:3:1:1:	4:3:2:2:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C[5]-3:H-1:H-1:	N[5,5]-4:C[6a]-3:O[5]-2:O[5]-2:	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(CH3)	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2	B[5,5](N[5,5]C[5]2C)(C[6a]C[6a]2)(O[5]C[5])2	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(CH3){2|C<3>,2|O<1>}	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2{1|O<2>,2|C<3>,2|H<1>}	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>}	102.5000	0.888	2	103.1212	0.984	16	103.0647	1.013	18	103.0647	1.013	18	103.0102	1.590	152	103.4999	4.035	211
999	474	786	5:SP3_SP3_SP3	N[5,5]	C[5]	B[5,5]	4:4:4:4:	4:3:1:1:	4:3:2:2:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C[5]-3:H-1:H-1:	N[5,5]-4:C[6a]-3:O[5]-2:O[5]-2:	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(CH3)	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2	B[5,5](N[5,5]C[5]2C)(C[6a]C[6a]2)(O[5]C[5])2	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(CH3){2|C<3>,2|O<1>}	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2{1|O<2>,2|C<3>,2|H<1>}	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>}	103.2036	1.024	10	103.1212	0.984	16	103.0647	1.013	18	103.0647	1.013	18	103.0102	1.590	152	103.4999	4.035	211
999	474	786	5:SP3_SP3_SP3	N[5,5]	C[5]	B[5,5]	4:4:4:4:	4:3:1:1:	4:4:2:2:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:N[5,5]-4:O[5]-2:O[5]-2:	N[5,5](B[5,5]C[5]O[5]2)(C[5]C[5]HH)2(CH3)	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2	B[5,5](C[5]C[5]O[5]H)(N[5,5]C[5]2C)(O[5]C[5])2	N[5,5](B[5,5]C[5]O[5]2)(C[5]C[5]HH)2(CH3){1|C<4>,1|H<1>,1|O<2>,2|O<1>}	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	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>}	102.9118	1.611	6	102.9118	2.595	6	102.9118	2.595	6	102.7070	1.906	26	103.0102	1.590	152	103.4999	4.035	211
999	474	786	5:SP3_SP3_SP3	N[5,5]	C[5]	B[5,5]	4:4:4:4:	4:3:1:1:	4:4:2:2:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C[5]-3:H-1:H-1:	C[6]-4:N[5,5]-4:O[5]-2:O[5]-2:	N[5,5](B[5,5]C[6]O[5]2)(C[5]C[5]HH)2(CH3)	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2	B[5,5](C[6]C[6]O[6]H)(N[5,5]C[5]2C)(O[5]C[5])2	N[5,5](B[5,5]C[6]O[5]2)(C[5]C[5]HH)2(CH3){1|C<4>,1|H<1>,1|O<2>,2|O<1>}	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	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>}	102.2865	1.466	2	102.2865	2.149	2	102.2865	2.149	2	102.7070	1.906	26	103.0102	1.590	152	103.4999	4.035	211
999	474	786	5:SP3_SP3_SP3	N[5,5]	C[5]	B[5,5]	4:4:4:4:	4:3:1:1:	4:4:2:2:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C[5]-3:H-1:H-1:	N[5,5]-4:C-4:O[5]-2:O[5]-2:	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3)	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2	B[5,5](N[5,5]C[5]2C)(CN[5a]HH)(O[5]C[5])2	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3){2|O<1>}	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	B[5,5](N[5,5]C[5]2C)(CN[5a]HH)(O[5]C[5])2{2|O<1>,4|H<1>}	103.2095	0.963	4	103.2095	0.927	4	103.2095	0.927	4	102.7070	1.906	26	103.0102	1.590	152	103.4999	4.035	211
999	474	786	5:SP3_SP3_SP3	N[5,5]	C[5]	B[5,5]	4:4:4:4:	4:3:1:1:	4:4:2:2:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C[5]-3:H-1:H-1:	N[5,5]-4:C[3]-4:O[5]-2:O[5]-2:	N[5,5](B[5,5]C[3]O[5]2)(C[5]C[5]HH)2(CH3)	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2	B[5,5](N[5,5]C[5]2C)(C[3]C[3]2H)(O[5]C[5])2	N[5,5](B[5,5]C[3]O[5]2)(C[5]C[5]HH)2(CH3){1|H<1>,2|C<4>,2|O<1>}	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]O)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	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>}	103.3590	1.333	8	103.3590	1.778	8	103.3590	1.778	8	102.7070	1.906	26	103.0102	1.590	152	103.4999	4.035	211
999	474	786	5:SP3_SP3_SP3	N[5,5]	C[5]	B[5,5]	4:4:4:4:	4:3:1:1:	4:4:2:2:	B[5,5]-4:C[6,6]-4:C[5]-4:C[5]-4:	N[5,5]-4:C[5]-3:H-1:H-1:	N[5,5]-4:C[3]-4:O[5]-2:O[5]-2:	N[5,5](B[5,5]C[3]O[5]2)(C[6,6]C[6,6]2H)(C[5]C[5]HH)2	C[5](N[5,5]B[5,5]C[6,6]C[5])(C[5]O[5]O)(H)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	N[5,5](B[5,5]C[3]O[5]2)(C[6,6]C[6,6]2H)(C[5]C[5]HH)2{1|O<2>,2|O<1>,4|C<4>,4|H<1>}	C[5](N[5,5]B[5,5]C[6,6]C[5])(C[5]O[5]O)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	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>}	101.4655	0.890	2	101.4380	0.525	6	101.4380	0.525	6	102.7070	1.906	26	103.0102	1.590	152	103.4999	4.035	211
999	474	786	5:SP3_SP3_SP3	N[5,5]	C[5]	B[5,5]	4:4:4:4:	4:3:1:1:	4:4:2:2:	B[5,5]-4:C[6,6]-4:C[5]-4:C[5]-4:	N[5,5]-4:C[5]-3:H-1:H-1:	N[5,5]-4:C[3]-4:O[5]-2:O[5]-2:	N[5,5](B[5,5]C[3]O[5]2)(C[6,6]C[6,6]2H)(C[5]C[5]HH)2	C[5](N[5,5]B[5,5]C[6,6]C[5])(C[5]O[5]O)(H)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	N[5,5](B[5,5]C[3]O[5]2)(C[6,6]C[6,6]2H)(C[5]C[5]HH)2{1|O<2>,2|O<1>,4|C<4>,4|H<1>}	C[5](N[5,5]B[5,5]C[6,6]C[5])(C[5]O[5]O)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	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>}	101.5230	0.970	2	101.4380	0.525	6	101.4380	0.525	6	102.7070	1.906	26	103.0102	1.590	152	103.4999	4.035	211
999	474	786	5:SP3_SP3_SP3	N[5,5]	C[5]	B[5,5]	4:4:4:4:	4:3:1:1:	4:4:2:2:	B[5,5]-4:C[6,6]-4:C[5]-4:C[5]-4:	N[5,5]-4:C[5]-3:H-1:H-1:	N[5,5]-4:C[3]-4:O[5]-2:O[5]-2:	N[5,5](B[5,5]C[3]O[5]2)(C[6,6]C[6,6]2H)(C[5]C[5]HH)2	C[5](N[5,5]B[5,5]C[6,6]C[5])(C[5]O[5]O)(H)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	N[5,5](B[5,5]C[3]O[5]2)(C[6,6]C[6,6]2H)(C[5]C[5]HH)2{1|O<2>,2|O<1>,4|C<4>,4|H<1>}	C[5](N[5,5]B[5,5]C[6,6]C[5])(C[5]O[5]O)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	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>}	101.3255	0.923	2	101.4380	0.525	6	101.4380	0.525	6	102.7070	1.906	26	103.0102	1.590	152	103.4999	4.035	211
999	474	786	5:SP3_SP3_SP3	N[5,5]	C[5]	B[5,5]	4:4:4:4:	4:4:1:1:	3:4:2:2:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C[5]-4:H-1:H-1:	C[6a]-3:N[5,5]-4:O[5]-2:O[5]-2:	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(CH3)	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]HH)(H)2	B[5,5](C[6a]C[6a]N[6a])(N[5,5]C[5]2C)(O[5]C[5])2	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(CH3){1|C<3>,1|N<2>,4|H<1>}	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	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>}	102.6335	0.276	2	102.6335	0.076	2	102.6335	0.076	2	102.6335	0.076	2	103.0102	1.590	152	103.4999	4.035	211
999	474	786	5:SP3_SP3_SP3	N[5,5]	C[5]	B[5,5]	4:4:4:4:	4:4:1:1:	3:4:4:1:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:N[5,5]-4:C[5]-4:H-1:	N[5,5](B[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5]HH)(CCHH)	C[5](N[5,5]B[5,5]C[5]C)(C[5]C[5]CC)(H)2	B[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2C)(C[5]C[5]HH)(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){2|C<3>,2|C<4>,2|H<1>}	C[5](N[5,5]B[5,5]C[5]C)(C[5]C[5]CC)(H)2{2|C<3>,5|H<1>}	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>}	102.5760	0.000	1	102.5760	0.000	1	102.8275	0.127	2	102.8275	0.127	2	103.0102	1.590	152	103.4999	4.035	211
999	474	786	5:SP3_SP3_SP3	N[5,5]	C[5]	B[5,5]	4:4:4:4:	4:4:1:1:	3:4:4:1:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:N[5,5]-4:C[5]-4:H-1:	N[5,5](B[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5]HH)(CCHH)	C[5](N[5,5]B[5,5]C[5]C)(C[5]C[5]HH)(H)2	B[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2C)(C[5]C[5]CH)(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){1|C<4>,2|C<3>,3|H<1>}	C[5](N[5,5]B[5,5]C[5]C)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	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>}	103.0790	0.000	1	103.0790	0.000	1	102.8275	0.127	2	102.8275	0.127	2	103.0102	1.590	152	103.4999	4.035	211
999	474	786	5:SP3_SP3_SP3	N[5,5]	C[5]	B[5,5]	4:4:4:4:	4:4:1:1:	4:2:2:3:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:O[5]-2:O[5]-2:C-3:	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CCHH)	C[5](N[5,5]B[5,5]C[5]C)(C[5]C[6a]O[5]H)(H)2	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CCC)	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CCHH){2|C<3>,2|H<1>}	C[5](N[5,5]B[5,5]C[5]C)(C[5]C[6a]O[5]H)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CCC){2|C<3>,6|H<1>}	101.4395	0.967	2	101.4395	0.934	2	101.7212	0.331	8	101.7212	0.331	8	103.0102	1.590	152	103.4999	4.035	211
999	474	786	5:SP3_SP3_SP3	N[5,5]	C[5]	B[5,5]	4:4:4:4:	4:4:1:1:	4:2:2:3:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:O[5]-2:O[5]-2:C-3:	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CC[6a]HH)	C[5](N[5,5]B[5,5]C[5]C)(C[5]C[6a]O[5]H)(H)2	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CCC)	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CC[6a]HH){2|C<3>,2|H<1>}	C[5](N[5,5]B[5,5]C[5]C)(C[5]C[6a]O[5]H)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CCC){2|C<3>,6|H<1>}	101.8152	0.485	6	101.8152	0.235	6	101.7212	0.331	8	101.7212	0.331	8	103.0102	1.590	152	103.4999	4.035	211
999	474	786	5:SP3_SP3_SP3	N[5,5]	C[5]	B[5,5]	4:4:4:4:	4:4:1:1:	4:3:2:2:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:C[5a]-3:O[5]-2:O[5]-2:	N[5,5](B[5,5]C[5a]O[5]2)(C[5]C[5]HH)2(CCHH)	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]HH)(H)2	B[5,5](N[5,5]C[5]2C)(C[5a]C[5a]2)(O[5]C[5])2	N[5,5](B[5,5]C[5a]O[5]2)(C[5]C[5]HH)2(CCHH){2|C<3>,4|H<1>}	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	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>}	103.2270	0.112	2	103.2270	0.012	2	103.2270	0.012	2	102.3931	1.443	8	103.0102	1.590	152	103.4999	4.035	211
999	474	786	5:SP3_SP3_SP3	N[5,5]	C[5]	B[5,5]	4:4:4:4:	4:4:1:1:	4:3:2:2:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:C[6a]-3:O[5]-2:O[5]-2:	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(CC3)	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]HH)(H)2	B[5,5](N[5,5]C[5]2C)(C[6a]C[6a]2)(O[5]C[5])2	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(CC3){2|C<3>,4|H<1>}	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	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>}	101.4315	0.912	4	101.4315	0.831	4	102.1152	1.647	6	102.3931	1.443	8	103.0102	1.590	152	103.4999	4.035	211
999	474	786	5:SP3_SP3_SP3	N[5,5]	C[5]	B[5,5]	4:4:4:4:	4:4:1:1:	4:3:2:2:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:C[6a]-3:O[5]-2:O[5]-2:	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(CH3)	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]HH)(H)2	B[5,5](N[5,5]C[5]2C)(C[6a]C[6a]2)(O[5]C[5])2	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(CH3){2|C<3>,4|H<1>}	C[5](N[5,5]B[5,5]C[5]C)(C[5]O[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	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>}	103.4825	0.361	2	103.4825	0.131	2	102.1152	1.647	6	102.3931	1.443	8	103.0102	1.590	152	103.4999	4.035	211
999	474	786	5:SP3_SP3_SP3	N[5,6]	C[5]	B[5,5,6]	4:4:4:4:	4:4:4:1:	4:4:2:2:	B[5,5,6]-4:B[6]-4:C[5]-4:C-4:	N[5,6]-4:C[5]-4:C-4:H-1:	N[5,6]-4:N[5,5]-4:O[6]-2:O[5]-2:	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)	C[5](N[5,6]B[5,5,6]B[6]C)(C[5]N[5,5]HH)(CH3)(H)	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){1|B<4>,1|C<3>,2|H<1>,3|C<4>}	C[5](N[5,6]B[5,5,6]B[6]C)(C[5]N[5,5]HH)(CH3)(H){1|B<4>,1|C<4>,1|N<3>,2|H<1>,2|O<2>}	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>}	102.8360	0.000	1	102.8360	0.000	1	102.8360	0.000	1	102.8360	0.000	1	102.8360	0.000	1	103.4999	4.035	211
999	474	786	5:SP3_SP3_SP3	N[5,6]	C[5]	B[5]	4:4:4:4:	4:4:1:1:	4:3:1:1:	B[5]-4:C[5]-4:C[6]-4:C[6]-4:	N[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-4:N[5]-3:Cl-1:H-1:	N[5,6](B[5]N[5]ClH)(C[5]C[5]HH)(C[6]C[6]HH)2	C[5](N[5,6]B[5]C[6]2)(C[5]N[5]HH)(H)2	B[5](N[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(Cl)(H)	N[5,6](B[5]N[5]ClH)(C[5]C[5]HH)(C[6]C[6]HH)2{1|C<3>,1|C<4>,6|H<1>}	C[5](N[5,6]B[5]C[6]2)(C[5]N[5]HH)(H)2{1|Cl<1>,1|C<3>,2|C<4>,5|H<1>}	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>}	100.8620	0.000	1	100.8620	0.000	1	100.8620	0.000	1	100.8620	0.000	1	100.8620	0.000	1	103.4999	4.035	211
999	474	786	5:SP3_SP3_SP3	N[5]	C[5]	B[5,5]	4:4:4:4:	3:4:1:1:	3:3:3:4:	B[5,5]-4:C[5]-4:C-4:C-4:	C[5,6a]-3:N[5]-4:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:N[5]-4:	N[5](B[5,5]C[5,6a]3)(C[5]C[5,6a]HH)(CH3)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5,5]CC)(H)2	B[5,5](C[5,6a]C[5,6a]C[6a])3(N[5]C[5]CC)	N[5](B[5,5]C[5,6a]3)(C[5]C[5,6a]HH)(CH3)2{6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5,5]CC)(H)2{1|H<1>,4|C<3>}	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>}	103.0770	0.000	1	103.0770	0.000	1	103.0770	0.000	1	103.0770	0.000	1	100.9105	4.798	5	103.4999	4.035	211
999	474	786	5:SP3_SP3_SP3	N[5]	C[5]	B[5,5]	4:4:4:4:	3:4:1:1:	3:4:2:2:	B[5,5]-4:C[5]-4:C-4:C-4:	C[5,6a]-3:N[5]-4:H-1:H-1:	C[5,6a]-3:N[5]-4:O[5]-2:O[5]-2:	N[5](B[5,5]C[5,6a]O[5]2)(C[5]C[5,6a]HH)(CH3)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5,5]CC)(H)2	B[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(O[5]C[5])2	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>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5,5]CC)(H)2{1|H<1>,2|C<3>,2|O<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>}	103.5010	0.000	1	103.5010	0.000	1	103.5010	0.000	1	103.5010	0.000	1	100.9105	4.798	5	103.4999	4.035	211
999	474	786	5:SP3_SP3_SP3	N[5]	C[5]	B[5,5]	4:4:4:4:	4:4:1:1:	3:4:2:2:	B[5,5]-4:C[5]-4:C-4:C-4:	N[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:N[5]-4:O[5]-2:O[5]-2:	N[5](B[5,5]C[5,6a]O[5]2)(C[5]C[5]HH)(CH3)2	C[5](N[5]B[5,5]CC)(C[5]O[5]HH)(H)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])	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>}	C[5](N[5]B[5,5]CC)(C[5]O[5]HH)(H)2{1|C<3>,1|O<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>}	99.1251	0.064	2	99.1251	0.004	2	99.1251	0.004	2	99.1251	0.004	2	100.9105	4.798	5	103.4999	4.035	211
999	474	786	5:SP3_SP3_SP3	N[5]	C[5]	B[5,5]	4:4:4:4:	4:4:1:1:	4:2:2:2:	B[5,5]-4:C[5]-4:C-4:C-4:	N[5]-4:C[5]-4:H-1:H-1:	N[5]-4:O[5]-2:O[5]-2:O[5]-2:	N[5](B[5,5]O[5]3)(C[5]C[5]HH)(CH3)2	C[5](N[5]B[5,5]CC)(C[5]O[5]CH)(H)2	B[5,5](N[5]C[5]CC)(O[5]C[5])3	N[5](B[5,5]O[5]3)(C[5]C[5]HH)(CH3)2{1|H<1>,3|C<4>}	C[5](N[5]B[5,5]CC)(C[5]O[5]CH)(H)2{2|O<2>}	B[5,5](N[5]C[5]CC)(O[5]C[5])3{1|C<4>,2|C<3>,5|H<1>}	99.7245	0.000	1	99.7245	0.000	1	99.7245	0.000	1	99.7245	0.000	1	100.9105	4.798	5	103.4999	4.035	211
999	474	786	5:SP3_SP3_SP3	N[5]	C[5]	B[5,6,6]	4:4:4:4:	4:4:1:1:	4:4:4:4:	B[5,6,6]-4:C[5]-4:C-4:C-4:	N[5]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[5]-4:N[5]-4:	N[5](B[5,6,6]C[6,6]2C[5])(C[5]C[5]HH)(CH3)2	C[5](N[5]B[5,6,6]CC)(C[5]C[5]HH)(H)2	B[5,6,6](C[6,6]C[6]2H)2(C[5]C[5]HH)(N[5]C[5]CC)	N[5](B[5,6,6]C[6,6]2C[5])(C[5]C[5]HH)(CH3)2{4|C<4>,6|H<1>}	C[5](N[5]B[5,6,6]CC)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	B[5,6,6](C[6,6]C[6]2H)2(C[5]C[5]HH)(N[5]C[5]CC){12|H<1>,2|C<4>}	102.1850	0.000	1	102.1850	0.000	1	102.1850	0.000	1	102.1850	0.000	1	102.1850	0.000	1	103.4999	4.035	211
999	474	786	5:SP3_SP3_SP3	N[5]	C[5]	B[5,6]	4:4:1:1:	4:3:4:1:	4:4:4:2:	B[5,6]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-3:C-4:H-1:	C[6]-4:C[6]-4:N[5]-4:O[5]-2:	N[5](B[5,6]C[6]2O[5])(C[5]C[5]CH)(H)2	C[5](N[5]B[5,6]HH)(C[5]O[5]O)(CH3)(H)	B[5,6](C[6]C[6]CH)2(N[5]C[5]HH)(O[5]C[5])	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>}	C[5](N[5]B[5,6]HH)(C[5]O[5]O)(CH3)(H){2|C<4>}	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>}	107.7060	0.000	1	107.7060	0.000	1	107.7060	0.000	1	107.7060	0.000	1	103.9353	3.204	7	103.4999	4.035	211
999	474	786	5:SP3_SP3_SP3	N[5]	C[5]	B[5,6]	4:4:4:4:	3:4:1:1:	3:4:2:2:	B[5,6]-4:C[5]-4:C-4:C-4:	C[5,6a]-3:N[5]-4:H-1:H-1:	C[5,6a]-3:N[5]-4:O[6]-2:O[6]-2:	N[5](B[5,6]C[5,6a]O[6]2)(C[5]C[5,6a]HH)(CC[5]HH)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5,6]CC)(H)2	B[5,6](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(O[6]B[5,6])2	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>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5,6]CC)(H)2{1|H<1>,2|C<3>,2|O<2>}	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>}	103.0280	0.311	3	103.0280	0.097	3	103.3068	0.527	6	103.3068	0.527	6	103.9353	3.204	7	103.4999	4.035	211
999	474	786	5:SP3_SP3_SP3	N[5]	C[5]	B[5,6]	4:4:4:4:	3:4:1:1:	3:4:2:2:	B[5,6]-4:C[5]-4:C-4:C-4:	C[5,6a]-3:N[5]-4:H-1:H-1:	C[5,6a]-3:N[5]-4:O[6]-2:O[6]-2:	N[5](B[5,6]C[5,6a]O[6]2)(C[5]C[5,6a]HH)(CH3)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5,6]CC)(H)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])	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>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5,6]CC)(H)2{1|H<1>,2|C<3>,2|O<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>}	104.1530	0.208	2	104.1530	0.043	2	103.3068	0.527	6	103.3068	0.527	6	103.9353	3.204	7	103.4999	4.035	211
999	474	786	5:SP3_SP3_SP3	N[5]	C[5]	B[5,6]	4:4:4:4:	3:4:1:1:	3:4:2:2:	B[5,6]-4:C[5]-4:C-4:C-4:	C[5,6a]-3:N[5]-4:H-1:H-1:	C[5,6a]-3:N[5]-4:O[6]-2:O[6]-2:	N[5](B[5,6]C[5,6a]O[6]2)(C[5]C[5,6a]HH)(CH3)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5,6]CC)(H)2	B[5,6](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(O[6]C[6])2	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>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5,6]CC)(H)2{1|H<1>,2|C<3>,2|O<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>}	102.4510	0.000	1	102.4510	0.000	1	103.3068	0.527	6	103.3068	0.527	6	103.9353	3.204	7	103.4999	4.035	211
999	474	786	5:SP3_SP3_SP3	N[5]	C[5]	B[5]	4:3:4:4:	4:4:1:1:	4:3:3:4:	B[5]-4:C[6a]-3:C[5]-4:C-4:	N[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[6a]-3:C[6a]-3:C[5]-4:	N[5](B[5]C[6a]2C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(CCHH)	C[5](N[5]C[6a]B[5]C)(C[5]C[5]HH)(H)2	B[5](N[5]C[6a]C[5]C)(C[6a]C[6a]2)2(C[5]C[5]HH)	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>}	C[5](N[5]C[6a]B[5]C)(C[5]C[5]HH)(H)2{2|H<1>,4|C<3>}	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>}	98.9852	0.000	1	98.9852	0.000	1	98.9852	0.000	1	98.9852	0.000	1	104.0647	5.562	16	103.4999	4.035	211
999	474	786	5:SP3_SP3_SP3	N[5]	C[5]	B[5]	4:4:1:1:	3:4:1:1:	3:4:1:1:	B[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:N[5]-4:H-1:H-1:	C[5,6a]-3:N[5]-4:H-1:H-1:	N[5](B[5]C[5,6a]HH)(C[5]C[5,6a]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]HH)(H)2	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]HH)(H)2	N[5](B[5]C[5,6a]HH)(C[5]C[5,6a]HH)(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]HH)(H)2{2|C<3>,3|H<1>}	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]HH)(H)2{2|C<3>,3|H<1>}	108.2500	0.000	1	108.2500	0.000	1	108.2500	0.000	1	108.2500	0.000	1	104.0647	5.562	16	103.4999	4.035	211
999	474	786	5:SP3_SP3_SP3	N[5]	C[5]	B[5]	4:4:1:1:	4:4:1:1:	3:3:4:2:	B[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[5a]-3:C[5a]-3:N[5]-4:O[5]-2:	N[5](B[5]C[5a]2O[5])(C[5]C[5]HH)(H)2	C[5](C[5]O[5]HH)(N[5]B[5]HH)(H)2	B[5](C[5a]C[5a]S[5a])2(N[5]C[5]HH)(O[5]C[5])	N[5](B[5]C[5a]2O[5])(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>,2|S<2>}	C[5](C[5]O[5]HH)(N[5]B[5]HH)(H)2{2|C<3>}	B[5](C[5a]C[5a]S[5a])2(N[5]C[5]HH)(O[5]C[5]){4|C<3>,6|H<1>}	105.4590	0.000	1	105.4590	0.000	1	105.4590	0.000	1	105.7770	0.202	2	104.0647	5.562	16	103.4999	4.035	211
999	474	786	5:SP3_SP3_SP3	N[5]	C[5]	B[5]	4:4:1:1:	4:4:1:1:	3:3:4:2:	B[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[5a]-3:C[6a]-3:N[5]-4:O[5]-2:	N[5](B[5]C[5a]C[6a]O[5])(C[5]C[5]HH)(H)2	C[5](C[5]O[5]HH)(N[5]B[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])	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>}	C[5](C[5]O[5]HH)(N[5]B[5]HH)(H)2{2|C<3>}	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>}	106.0950	0.000	1	106.0950	0.000	1	106.0950	0.000	1	105.7770	0.202	2	104.0647	5.562	16	103.4999	4.035	211
999	474	786	5:SP3_SP3_SP3	N[5]	C[5]	B[5]	4:4:1:1:	4:4:1:1:	4:4:2:2:	B[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:N[5]-4:O-2:O-2:	N[5](B[5]C[5]OO)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]B[5]HH)(H)2	B[5](C[5]C[5]CH)(N[5]C[5]HH)(OC)2	N[5](B[5]C[5]OO)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]B[5]HH)(H)2{1|C<4>,1|H<1>,2|O<2>}	B[5](C[5]C[5]CH)(N[5]C[5]HH)(OC)2{4|H<1>}	106.7560	0.198	2	106.7560	0.039	2	106.7560	0.039	2	106.7560	0.039	2	104.0647	5.562	16	103.4999	4.035	211
999	474	786	5:SP3_SP3_SP3	N[5]	C[5]	B[5]	4:4:4:4:	3:4:1:1:	3:4:1:1:	B[5]-4:C[5]-4:C-4:C-4:	C[5,6a]-3:N[5]-4:H-1:H-1:	C[5,6a]-3:N[5]-4:Cl-1:Cl-1:	N[5](B[5]C[5,6a]Cl2)(C[5]C[5,6a]HH)(CH3)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]CC)(H)2	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(Cl)2	N[5](B[5]C[5,6a]Cl2)(C[5]C[5,6a]HH)(CH3)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]CC)(H)2{2|Cl<1>,1|H<1>,2|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(Cl)2{2|C<3>,3|H<1>}	102.7340	0.000	1	102.7340	0.000	1	102.7340	0.000	1	102.7340	0.000	1	104.0647	5.562	16	103.4999	4.035	211
999	474	786	5:SP3_SP3_SP3	N[5]	C[5]	B[5]	4:4:4:4:	3:4:4:1:	3:3:3:4:	B[5]-4:C[5]-4:C-4:C-4:	C[5,6a]-3:N[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[6a]-3:N[5]-4:	N[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]CH)(CH3)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]CC)(CH3)(H)	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(N[5]C[5]CC)	N[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]CH)(CH3)2{6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]CC)(CH3)(H){1|H<1>,4|C<3>}	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>}	104.0130	0.303	2	104.0130	0.092	2	104.0130	0.092	2	104.0130	0.092	2	104.0647	5.562	16	103.4999	4.035	211
999	474	786	5:SP3_SP3_SP3	N[5]	C[5]	B[5]	4:4:4:4:	3:4:4:1:	3:3:4:1:	B[5]-4:C[5]-4:C-4:C-4:	C[5,6a]-3:N[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-4:H-1:	N[5](B[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(CH3)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]CC)(CH3)(H)	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]CC)(H)	N[5](B[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(CH3)2{4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]CC)(CH3)(H){2|H<1>,3|C<3>}	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>}	101.5370	0.000	1	101.5370	0.000	1	101.5370	0.000	1	101.5370	0.000	1	104.0647	5.562	16	103.4999	4.035	211
999	474	786	5:SP3_SP3_SP3	N[5]	C[5]	B[5]	4:4:4:4:	3:4:4:1:	3:4:1:1:	B[5]-4:C[5]-4:C-4:C-4:	C[5,6a]-3:N[5]-4:C-4:H-1:	C[5,6a]-3:N[5]-4:Cl-1:Cl-1:	N[5](B[5]C[5,6a]Cl2)(C[5]C[5,6a]CH)(CH3)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]CC)(CH3)(H)	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(Cl)2	N[5](B[5]C[5,6a]Cl2)(C[5]C[5,6a]CH)(CH3)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]CC)(CH3)(H){2|Cl<1>,1|H<1>,2|C<3>}	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>}	102.3713	0.226	3	102.3713	0.051	3	102.3713	0.051	3	102.3713	0.051	3	104.0647	5.562	16	103.4999	4.035	211
999	474	786	5:SP3_SP3_SP3	N[5]	C[5]	B[5]	4:4:4:4:	3:4:4:1:	3:4:4:4:	B[5]-4:C[5]-4:C-4:C-4:	C[5,6a]-3:N[5]-4:C-4:H-1:	C[5,6a]-3:C[6]-4:C[6]-4:N[5]-4:	N[5](B[5]C[5,6a]C[6]2)(C[5]C[5,6a]CH)(CH3)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]CC)(CH3)(H)	B[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)2(N[5]C[5]CC)	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>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]CC)(CH3)(H){1|H<1>,2|C<3>,2|C<4>}	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>}	104.4130	0.000	1	104.4130	0.000	1	104.4130	0.000	1	104.4130	0.000	1	104.0647	5.562	16	103.4999	4.035	211
999	474	786	5:SP3_SP3_SP3	N[5]	C[5]	B[5]	4:4:4:4:	4:3:1:1:	4:3:1:1:	B[5]-4:C[5]-4:C-4:C-4:	N[5]-4:C[5]-3:H-1:H-1:	N[5]-4:C[5]-3:H-1:H-1:	N[5](B[5]C[5]HH)(C[5]C[5]HH)(CC[6a]HH)(CH3)	C[5](N[5]B[5]CC)(C[5]C[5]C)(H)2	B[5](N[5]C[5]CC)(C[5]C[5]H)(H)2	N[5](B[5]C[5]HH)(C[5]C[5]HH)(CC[6a]HH)(CH3){1|C<4>,1|H<1>}	C[5](N[5]B[5]CC)(C[5]C[5]C)(H)2{3|H<1>}	B[5](N[5]C[5]CC)(C[5]C[5]H)(H)2{1|C<4>,2|H<1>}	103.4240	0.000	1	103.4240	0.000	1	103.4240	0.000	1	103.4240	0.000	1	104.0647	5.562	16	103.4999	4.035	211
999	474	786	5:SP3_SP3_SP3	N[5]	C[5]	B[5]	4:4:4:4:	4:4:1:1:	3:3:4:1:	B[5]-4:C[5]-4:C-4:C-4:	C[5]-4:N[5]-4:H-1:H-1:	B[5]-3:C[6a]-3:N[5]-4:I-1:	N[5](B[5]C[6a]B[5]I)(C[5]C[5]HH)(CCHH)2	C[5](C[5]B[5]HH)(N[5]B[5]CC)(H)2	B[5](B[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]CC)(I)	N[5](B[5]C[6a]B[5]I)(C[5]C[5]HH)(CCHH)2{2|H<1>,3|C<3>}	C[5](C[5]B[5]HH)(N[5]B[5]CC)(H)2{1|I<1>,2|C<3>}	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>}	105.4860	0.000	1	105.4860	0.000	1	105.4860	0.000	1	105.4860	0.000	1	104.0647	5.562	16	103.4999	4.035	211
999	474	786	6:SP3_SP3_SP3	N[5,5,6]	C[5,6]	B[5,5,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	B[5,5,6]-4:B[5,5,6]-4:C[5,6]-4:H-1:	B[5,5,6]-4:N[5,5,6]-4:H-1:H-1:	N[5,5,6]-4:N[5,5,6]-4:C[5,6]-4: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)	C[5,6](B[5,5,6]N[5,5,6]2H)(N[5,5,6]B[5,5,6]2H)(H)2	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){1|B<4>,1|C<4>,1|N<4>,7|H<1>}	C[5,6](B[5,5,6]N[5,5,6]2H)(N[5,5,6]B[5,5,6]2H)(H)2{1|B<4>,1|N<4>,3|C<4>,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){1|B<4>,1|C<4>,1|N<4>,7|H<1>}	112.8440	0.000	1	112.8440	0.000	1	112.8440	0.000	1	112.8440	0.000	1	112.8440	0.000	1	112.8440	0.000	1
999	474	818	5:SP3_SP2_SP3	N[5,5,6]	C[5,6]	C[5,5]	3:4:4:4:	4:4:1:1:	4:4:1:	C[5,5]-3:C[5,6]-4:C[5,6]-4:B-4:	N[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:N[5,5,6]-4:O-1:	N[5,5,6](C[5,5]C[5,5,6]O)(C[5,6]C[5,6]HH)2(BF3)	C[5,6](N[5,5,6]C[5,5]C[5,6]B)(C[5,6]C[5,5,6]HH)(H)2	C[5,5](C[5,5,6]C[5,6]2H)(N[5,5,6]C[5,6]2B)(O)	N[5,5,6](C[5,5]C[5,5,6]O)(C[5,6]C[5,6]HH)2(BF3){5|H<1>}	C[5,6](N[5,5,6]C[5,5]C[5,6]B)(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|O<1>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)(N[5,5,6]C[5,6]2B)(O){8|H<1>}	99.4368	0.000	1	99.4368	0.000	1	99.4368	0.000	1	99.4368	0.000	1	99.4368	0.000	1	106.7963	60.558	3
999	474	818	5:SP3_SP2_SP3	N[5]	C[5]	C[5]	4:3:1:1:	4:4:1:1:	4:3:4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:N[5]-3:C-4:	N[5](C[5]C[5]HH)(C[5]N[5]C)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]HH)(H)2	C[5](N[5]C[5]HH)(N[5]C[5]C)(CCCS)	N[5](C[5]C[5]HH)(C[5]N[5]C)(H)2{1|C<4>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]HH)(H)2{2|C<4>}	C[5](N[5]C[5]HH)(N[5]C[5]C)(CCCS){4|H<1>}	114.9410	0.000	1	114.9410	0.000	1	114.9410	0.000	1	114.9410	0.000	1	110.4760	39.872	2	106.7963	60.558	3
999	474	818	5:SP3_SP2_SP3	N[5]	C[5]	C[5]	4:3:3:1:	4:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-3:H-1:	N[5]-4:C[5]-3:H-1:H-1:	N[5]-4:C[5]-3:H-1:	N[5](C[5]C[5]HH)(C[5]C[5]H)(CCH)(H)	C[5](N[5]C[5]CH)(C[5]C[5]H)(H)2	C[5](N[5]C[5]CH)(C[5]C[5]H)(H)	N[5](C[5]C[5]HH)(C[5]C[5]H)(CCH)(H){2|H<1>}	C[5](N[5]C[5]CH)(C[5]C[5]H)(H)2{2|H<1>}	C[5](N[5]C[5]CH)(C[5]C[5]H)(H){3|H<1>}	106.0110	0.000	1	106.0110	0.000	1	106.0110	0.000	1	106.0110	0.000	1	110.4760	39.872	2	106.7963	60.558	3
999	474	863	0:SP3_SP2_SP3	N[5,6]	C[5,6,6]	O	4:4:4:1:	4:4:3:1:	4:	C[5,6,6]-4:C[6]-4:C[5]-4:O-1:	C[6,6]-4:N[5,6]-4:C[5,6]-3:H-1:	N[5,6]-4:	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(O)	C[5,6,6](C[6,6]C[6,6a]C[6]H)(N[5,6]C[5]C[6]O)(C[5,6]C[5]C[6])(H)	O(N[5,6]C[5,6,6]C[5]C[6])	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(O){1|C<4>,3|C<3>,3|H<1>}	C[5,6,6](C[6,6]C[6,6a]C[6]H)(N[5,6]C[5]C[6]O)(C[5,6]C[5]C[6])(H){1|C<4>,1|O<2>,2|C<3>,8|H<1>}	O(N[5,6]C[5,6,6]C[5]C[6])	110.5380	0.000	1	110.5380	0.000	1	110.5380	0.000	1	110.5380	0.000	1	110.5380	0.000	1	109.8284	1.507	8
999	474	863	0:SP3_SP2_SP3	N[5,6]	C[5]	O	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:C[5]-4:O-1:	N[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-4:	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(O)	C[5](N[5,6]C[5,6,6]C[6]O)(C[5]C[5,6]HH)(H)2	O(N[5,6]C[5,6,6]C[5]C[6])	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(O){1|C<4>,3|C<3>,3|H<1>}	C[5](N[5,6]C[5,6,6]C[6]O)(C[5]C[5,6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	O(N[5,6]C[5,6,6]C[5]C[6])	109.8490	0.000	1	109.8490	0.000	1	109.8490	0.000	1	109.8490	0.000	1	109.8490	0.000	1	109.8284	1.507	8
999	474	863	0:SP3_SP2_SP3	N[5]	C[5]	O	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:O-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCC)(O)	C[5](C[5]C[5]HH)(N[5]C[5]CO)(H)2	O(N[5]C[5]2C)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCC)(O){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CO)(H)2{1|C<4>,3|H<1>}	O(N[5]C[5]2C)	108.2010	0.348	2	108.2010	0.121	2	108.4883	0.308	3	108.4883	0.308	3	109.7067	1.992	6	109.8284	1.507	8
999	474	863	0:SP3_SP2_SP3	N[5]	C[5]	O	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-3:O-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)(O)	C[5](C[5]C[5]HH)(N[5]C[5]CO)(H)2	O(N[5]C[5]2C)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)(O){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CO)(H)2{1|C<4>,3|H<1>}	O(N[5]C[5]2C)	109.0630	0.000	1	109.0630	0.000	1	108.4883	0.308	3	108.4883	0.308	3	109.7067	1.992	6	109.8284	1.507	8
999	474	863	0:SP3_SP2_SP3	N[5]	C[5]	O	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-3:O-1:	C[5]-4:N[5]-4:C-4:H-1:	N[5]-4:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCC)(O)	C[5](C[5]C[5]HH)(N[5]C[5]CO)(CC[6a]2O)(H)	O(N[5]C[5]2C)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCC)(O){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CO)(CC[6a]2O)(H){4|H<1>}	O(N[5]C[5]2C)	110.6635	0.158	2	110.6635	0.025	2	110.9250	0.218	3	110.9250	0.218	3	109.7067	1.992	6	109.8284	1.507	8
999	474	863	0:SP3_SP2_SP3	N[5]	C[5]	O	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-3:O-1:	C[5]-4:N[5]-4:C-4:H-1:	N[5]-4:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)(O)	C[5](C[5]C[5]HH)(N[5]C[5]CO)(CC[6a]2O)(H)	O(N[5]C[5]2C)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)(O){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CO)(CC[6a]2O)(H){4|H<1>}	O(N[5]C[5]2C)	111.4480	0.000	1	111.4480	0.000	1	110.9250	0.218	3	110.9250	0.218	3	109.7067	1.992	6	109.8284	1.507	8
999	474	874	0:SP3_SP3_SP3	N[5,6]	C[5]	B[6]	4:4:4:4:	4:4:1:1:	3:4:1:1:	C[6]-4:B[6]-4:C[5]-4:C[5]-4:	N[5,6]-4:C[5]-4:H-1:H-1:	N[6]-3:N[5,6]-4:F-1:F-1:	N[5,6](C[6]C[6,6a]HH)(B[6]N[6]FF)(C[5]C[5]HH)2	C[5](N[5,6]B[6]C[5]C[6])(C[5]C[5]HH)(H)2	B[6](N[6]C[6,6a]C[6a])(N[5,6]C[5]2C[6])(F)2	N[5,6](C[6]C[6,6a]HH)(B[6]N[6]FF)(C[5]C[5]HH)2{3|C<3>,4|H<1>}	C[5](N[5,6]B[6]C[5]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,2|F<1>,6|H<1>}	B[6](N[6]C[6,6a]C[6a])(N[5,6]C[5]2C[6])(F)2{2|C<4>,4|C<3>,6|H<1>}	111.7340	1.212	2	111.7340	1.469	2	111.7340	1.469	2	111.7340	1.469	2	111.9830	0.920	3	111.9830	0.920	3
999	474	874	0:SP3_SP3_SP3	N[5,6]	C[5]	B[6]	4:4:4:4:	4:4:4:1:	4:3:1:1:	B[5,5,6]-4:B[6]-4:C[5]-4:C-4:	N[5,6]-4:C[5]-4:C-4:H-1:	N[5,6]-4:N[5,6]-3:H-1: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)	C[5](N[5,6]B[5,5,6]B[6]C)(C[5]N[5,5]HH)(CH3)(H)	B[6](N[5,6]B[5,5,6]C[5]C)(N[5,6]C[5,6]C[5])(H)2	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>}	C[5](N[5,6]B[5,5,6]B[6]C)(C[5]N[5,5]HH)(CH3)(H){1|B<4>,1|C<4>,1|N<3>,2|H<1>,2|O<2>}	B[6](N[5,6]B[5,5,6]C[5]C)(N[5,6]C[5,6]C[5])(H)2{1|N<3>,1|N<4>,2|H<1>,2|O<2>,4|C<4>}	112.4810	0.000	1	112.4810	0.000	1	112.4810	0.000	1	112.4810	0.000	1	111.9830	0.920	3	111.9830	0.920	3
999	474	880	0:SP3_SP3_SP3	N[5]	C[5]	Si	4:4:4:4:	4:4:1:1:	4:4:4:4:	C[5]-4:C[5]-4:Si-4:B-4:	N[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C-4:C-4:C-4:	N[5](C[5]C[5]HH)2(SiC3)(BH3)	C[5](N[5]C[5]SiB)(C[5]C[5]HH)(H)2	Si(N[5]C[5]2B)(CH3)3	N[5](C[5]C[5]HH)2(SiC3)(BH3){4|H<1>}	C[5](N[5]C[5]SiB)(C[5]C[5]HH)(H)2{4|H<1>}	Si(N[5]C[5]2B)(CH3)3	112.4190	0.362	2	112.4190	0.131	2	112.4190	0.131	2	112.4190	0.131	2	112.4190	0.131	2	112.4190	0.131	2
999	474	885	5:SP3_SP-NON_SP3	N[5,5,6]	C[5,5]	Ga[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:4:	C[5,5]-4:C[5,6]-4:Ga[5,6]-4:C-4:	N[5,5,6]-4:N[5,5,6]-4:H-1:H-1:	N[5,5,6]-4:C[5,6]-4:C-4:C-4:	N[5,5,6](C[5,5]N[5,5,6]HH)(C[5,6]Ga[5,6]HH)(Ga[5,6]C[5,6]CC)(CH3)	C[5,5](N[5,5,6]Ga[5,6]C[5,6]C)2(H)2	Ga[5,6](N[5,5,6]C[5,5]C[5,6]C)(C[5,6]N[5,5,6]HH)(CH3)2	N[5,5,6](C[5,5]N[5,5,6]HH)(C[5,6]Ga[5,6]HH)(Ga[5,6]C[5,6]CC)(CH3){2|H<1>,3|C<4>}	C[5,5](N[5,5,6]Ga[5,6]C[5,6]C)2(H)2{4|C<4>,4|H<1>}	Ga[5,6](N[5,5,6]C[5,5]C[5,6]C)(C[5,6]N[5,5,6]HH)(CH3)2{1|Ga<4>,1|C<4>,4|H<1>}	100.7390	0.000	1	100.7390	0.000	1	100.7390	0.000	1	100.7390	0.000	1	100.7390	0.000	1	103.1323	14.398	14
999	474	885	5:SP3_SP-NON_SP3	N[5,5,6]	C[5,6]	Ga[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:4:	C[5,5]-4:C[5,6]-4:Ga[5,6]-4:C-4:	N[5,5,6]-4:Ga[5,6]-4:H-1:H-1:	N[5,5,6]-4:C[5,6]-4:C-4:C-4:	N[5,5,6](C[5,5]N[5,5,6]HH)(C[5,6]Ga[5,6]HH)(Ga[5,6]C[5,6]CC)(CH3)	C[5,6](N[5,5,6]Ga[5,6]C[5,5]C)(Ga[5,6]N[5,5,6]CC)(H)2	Ga[5,6](N[5,5,6]C[5,5]C[5,6]C)(C[5,6]N[5,5,6]HH)(CH3)2	N[5,5,6](C[5,5]N[5,5,6]HH)(C[5,6]Ga[5,6]HH)(Ga[5,6]C[5,6]CC)(CH3){2|H<1>,3|C<4>}	C[5,6](N[5,5,6]Ga[5,6]C[5,5]C)(Ga[5,6]N[5,5,6]CC)(H)2{2|H<1>,4|C<4>}	Ga[5,6](N[5,5,6]C[5,5]C[5,6]C)(C[5,6]N[5,5,6]HH)(CH3)2{1|Ga<4>,1|C<4>,4|H<1>}	110.7380	0.000	1	110.7380	0.000	1	110.7380	0.000	1	110.7380	0.000	1	110.7380	0.000	1	103.1323	14.398	14
999	474	885	5:SP3_SP-NON_SP3	N[5,6]	C[5]	Ga[5]	4:4:4:4:	4:4:1:1:	4:3:1:1:	Ga[5]-4:C[5]-4:C[6]-4:C[6]-4:	N[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-4:N[5]-3:Cl-1:H-1:	N[5,6](Ga[5]N[5]ClH)(C[5]C[5]HH)(C[6]C[6]HH)2	C[5](N[5,6]Ga[5]C[6]2)(C[5]N[5]HH)(H)2	Ga[5](N[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(Cl)(H)	N[5,6](Ga[5]N[5]ClH)(C[5]C[5]HH)(C[6]C[6]HH)2{1|C<3>,1|C<4>,6|H<1>}	C[5](N[5,6]Ga[5]C[6]2)(C[5]N[5]HH)(H)2{1|Cl<1>,1|C<3>,2|C<4>,5|H<1>}	Ga[5](N[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(Cl)(H){2|C<3>,2|C<4>,8|H<1>}	99.9161	0.000	1	99.9161	0.000	1	99.9161	0.000	1	99.9161	0.000	1	99.4068	0.519	2	103.1323	14.398	14
999	474	885	5:SP3_SP-NON_SP3	N[5,6]	C[5]	Ga[5]	4:4:4:4:	4:4:1:1:	4:4:3:1:	Ga[5]-4:C[5]-4:C[6]-4:C[6]-4:	N[5,6]-4:C[5]-4:H-1:H-1:	Ga[5]-4:N[5,6]-4:N[5]-3:Cl-1:	N[5,6](Ga[5]Ga[5]N[5]Cl)(C[5]C[5]HH)(C[6]C[6]HH)2	C[5](N[5,6]Ga[5]C[6]2)(C[5]N[5]HH)(H)2	Ga[5](Ga[5]N[5,6]N[5]Cl)(N[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(Cl)	N[5,6](Ga[5]Ga[5]N[5]Cl)(C[5]C[5]HH)(C[6]C[6]HH)2{1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,1|N<4>,6|H<1>}	C[5](N[5,6]Ga[5]C[6]2)(C[5]N[5]HH)(H)2{1|Cl<1>,1|Ga<4>,1|C<3>,2|C<4>,4|H<1>}	Ga[5](Ga[5]N[5,6]N[5]Cl)(N[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(Cl){3|C<3>,6|C<4>,8|H<1>}	98.8976	0.000	1	98.8976	0.000	1	98.8976	0.000	1	98.8976	0.000	1	99.4068	0.519	2	103.1323	14.398	14
999	474	885	5:SP3_SP-NON_SP3	N[5]	C[5]	Ga[5,5]	4:4:4:4:	3:4:1:1:	3:3:3:4:	Ga[5,5]-4:C[5]-4:C-4:C-4:	C[5,6a]-3:N[5]-4:H-1:H-1:	C[5,5a]-3:C[5,5a]-3:C[5,6a]-3:N[5]-4:	N[5](Ga[5,5]C[5,5a]2C[5,6a])(C[5]C[5,6a]HH)(CH3)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Ga[5,5]CC)(H)2	Ga[5,5](C[5,5a]C[5,5a]C[5a])2(C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)	N[5](Ga[5,5]C[5,5a]2C[5,6a])(C[5]C[5,6a]HH)(CH3)2{6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Ga[5,5]CC)(H)2{1|H<1>,4|C<3>}	Ga[5,5](C[5,5a]C[5,5a]C[5a])2(C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC){1|C<4>,2|S<2>,4|C<3>,4|H<1>}	101.8355	0.128	2	101.8355	0.016	2	101.8355	0.016	2	102.2665	0.265	4	102.2665	0.265	4	103.1323	14.398	14
999	474	885	5:SP3_SP-NON_SP3	N[5]	C[5]	Ga[5,5]	4:4:4:4:	3:4:1:1:	3:3:3:4:	Ga[5,5]-4:C[5]-4:C-4:C-4:	C[5,6a]-3:N[5]-4:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:N[5]-4:	N[5](Ga[5,5]C[5,6a]3)(C[5]C[5,6a]HH)(CH3)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Ga[5,5]CC)(H)2	Ga[5,5](C[5,6a]C[5,6a]C[6a])3(N[5]C[5]CC)	N[5](Ga[5,5]C[5,6a]3)(C[5]C[5,6a]HH)(CH3)2{6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Ga[5,5]CC)(H)2{1|H<1>,4|C<3>}	Ga[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>}	102.6975	0.192	2	102.6975	0.037	2	102.6975	0.037	2	102.2665	0.265	4	102.2665	0.265	4	103.1323	14.398	14
999	474	885	5:SP3_SP-NON_SP3	N[5]	C[5]	Ga[5]	4:4:4:1:	4:3:4:1:	4:2:2:2:	Ga[5]-4:C[5]-4:C-4:H-1:	N[5]-4:C[5]-3:C-4:H-1:	N[5]-4:O[5]-2:O-2:O-2:	N[5](Ga[5]O[5]OO)(C[5]C[5]CH)(CC3)(H)	C[5](N[5]Ga[5]CH)(C[5]O[5]O)(CH3)(H)	Ga[5](N[5]C[5]CH)(O[5]C[5])(OC)2	N[5](Ga[5]O[5]OO)(C[5]C[5]CH)(CC3)(H){1|O<1>}	C[5](N[5]Ga[5]CH)(C[5]O[5]O)(CH3)(H){2|O<2>}	Ga[5](N[5]C[5]CH)(O[5]C[5])(OC)2{1|C<4>,1|H<1>,1|O<1>}	111.1090	0.000	1	111.1090	0.000	1	111.1090	0.000	1	111.1090	0.000	1	104.0827	17.221	6	103.1323	14.398	14
999	474	885	5:SP3_SP-NON_SP3	N[5]	C[5]	Ga[5]	4:4:4:4:	3:4:1:1:	3:3:3:4:	Ga[5]-4:C[5]-4:C-4:C-4:	C[5,6a]-3:N[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[6a]-3:N[5]-4:	N[5](Ga[5]C[5,6a]C[6a]2)(C[5]C[5,6a]HH)(CH3)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Ga[5]CC)(H)2	Ga[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(N[5]C[5]CC)	N[5](Ga[5]C[5,6a]C[6a]2)(C[5]C[5,6a]HH)(CH3)2{6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Ga[5]CC)(H)2{1|H<1>,4|C<3>}	Ga[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>}	100.0750	0.000	1	100.0750	0.000	1	100.0750	0.000	1	100.0750	0.000	1	104.0827	17.221	6	103.1323	14.398	14
999	474	885	5:SP3_SP-NON_SP3	N[5]	C[5]	Ga[5]	4:4:4:4:	3:4:1:1:	3:4:1:1:	Ga[5]-4:C[5]-4:C-4:C-4:	C[5,6a]-3:N[5]-4:H-1:H-1:	C[5,6a]-3:N[5]-4:Cl-1:Cl-1:	N[5](Ga[5]C[5,6a]Cl2)(C[5]C[5,6a]HH)(CH3)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Ga[5]CC)(H)2	Ga[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(Cl)2	N[5](Ga[5]C[5,6a]Cl2)(C[5]C[5,6a]HH)(CH3)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Ga[5]CC)(H)2{2|Cl<1>,1|H<1>,2|C<3>}	Ga[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>}	100.1510	0.000	1	100.1510	0.000	1	100.1510	0.000	1	100.1510	0.000	1	104.0827	17.221	6	103.1323	14.398	14
999	474	885	5:SP3_SP-NON_SP3	N[5]	C[5]	Ga[5]	4:4:4:4:	4:4:1:1:	4:3:4:1:	Ga[5]-4:C[5]-4:C-4:C-4:	N[5]-4:C[5]-4:H-1:H-1:	N[5]-4:O[5]-3:C-4:Cl-1:	N[5](Ga[5]O[5]ClC)(C[5]C[5]HH)(CH3)2	C[5](N[5]Ga[5]CC)(C[5]O[5]HH)(H)2	Ga[5](N[5]C[5]CC)(O[5]C[5]Ga)(CH3)(Cl)	N[5](Ga[5]O[5]ClC)(C[5]C[5]HH)(CH3)2{1|Ga<4>,2|H<1>}	C[5](N[5]Ga[5]CC)(C[5]O[5]HH)(H)2{1|Cl<1>,1|Ga<4>,1|C<4>}	Ga[5](N[5]C[5]CC)(O[5]C[5]Ga)(CH3)(Cl){4|H<1>}	103.2050	0.000	1	103.2050	0.000	1	103.2050	0.000	1	103.2050	0.000	1	104.0827	17.221	6	103.1323	14.398	14
999	474	885	5:SP3_SP-NON_SP3	N[5]	C[5]	Ga[5]	4:4:4:4:	4:4:1:1:	4:4:4:4:	Ga[5]-4:C[5]-4:C-4:C-4:	N[5]-4:C[5]-4:H-1:H-1:	N[5]-4:N[5]-4:C-4:C-4:	N[5](Ga[5]N[5]CC)(C[5]C[5]HH)(CH3)2	C[5](N[5]Ga[5]CC)(C[5]N[5]HH)(H)2	Ga[5](N[5]C[5]CC)2(CH3)2	N[5](Ga[5]N[5]CC)(C[5]C[5]HH)(CH3)2{2|C<4>,2|H<1>}	C[5](N[5]Ga[5]CC)(C[5]N[5]HH)(H)2{4|C<4>}	Ga[5](N[5]C[5]CC)2(CH3)2{4|H<1>}	104.9780	1.686	2	104.9780	2.842	2	104.9780	2.842	2	104.9780	2.842	2	104.0827	17.221	6	103.1323	14.398	14
999	474	893	0:SP3_SP3_SP3	N[5]	C[5,5]	O	4:4:4:2:	4:3:4:1:	4:1:	C[5,5]-4:C[5]-4:C-4:O-2:	C[5,5]-4:N[5]-3:N[5]-4:H-1:	N[5]-4:H-1:	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(CH3)(OH)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]CO)(H)	O(N[5]C[5,5]C[5]C)(H)	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(CH3)(OH){2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]CO)(H){2|C<3>,4|H<1>}	O(N[5]C[5,5]C[5]C)(H)	106.8840	1.044	2	106.8840	1.089	2	106.8840	1.089	2	106.8840	1.089	2	106.8840	1.089	2	106.0815	1.222	4
999	474	893	0:SP3_SP3_SP3	N[5]	C[5]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,5]-4:C[5]-4:C-4:O-2:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:H-1:	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(CH3)(OH)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]CO)(H)2	O(N[5]C[5,5]C[5]C)(H)	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(CH3)(OH){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5]HH)(N[5]C[5,5]CO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	O(N[5]C[5,5]C[5]C)(H)	105.2790	0.047	2	105.2790	0.002	2	105.2790	0.002	2	105.2790	0.002	2	105.2790	0.002	2	106.0815	1.222	4
999	474	928	5:SP3_SP3_SPD6	N[5,5]	C[5]	Si[3x5]	6:4:4:4:	4:4:1:1:	4:4:4:1:1:1:	Si[3x5]-6:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:N[5,5]-4:N[5,5]-4:F-1:F-1:F-1:	N[5,5](Si[3x5]N[5,5]2F3)(C[5]C[5]HH)2(CH3)	C[5](N[5,5]Si[3x5]C[5]C)(C[5]N[5,5]HH)(H)2	Si[3x5](N[5,5]C[5]2C)3(F)3	N[5,5](Si[3x5]N[5,5]2F3)(C[5]C[5]HH)2(CH3){4|C<4>,4|H<1>}	C[5](N[5,5]Si[3x5]C[5]C)(C[5]N[5,5]HH)(H)2{1|N<4>,2|H<1>,3|C<4>,3|F<1>}	Si[3x5](N[5,5]C[5]2C)3(F)3{12|H<1>}	107.0802	3.031	5	107.0802	9.190	5	107.0802	9.190	5	107.0802	9.190	5	107.0802	9.190	5	107.0802	9.190	5
999	474	930	0:SP3_SP2_SP3	N[5,5]	C[5,5]	C	4:4:4:3:	4:4:4:1:	4:1:1:	C[5]-4:C[5,5]-4:C[5]-4:C-3:	C[5]-4:N[5,5]-4:C[5]-4:H-1:	N[5,5]-4:H-1:H-1:	N[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(CHH)	C[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2C)(C[5]C[5]HH)(H)	C(N[5,5]C[5,5]C[5]2)(H)2	N[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(CHH){3|C<3>,7|H<1>}	C[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2C)(C[5]C[5]HH)(H){3|C<3>,7|H<1>}	C(N[5,5]C[5,5]C[5]2)(H)2	109.7250	0.000	1	109.7250	0.000	1	109.7250	0.000	1	109.7250	0.000	1	109.7250	0.000	1	111.8748	8.538	10
999	474	930	0:SP3_SP2_SP3	N[5,5]	C[5]	C	4:4:4:3:	4:3:4:1:	4:1:1:	C[5]-4:C[5,5]-4:C[5]-4:C-3:	N[5,5]-4:C[6a]-3:C[5]-4:H-1:	N[5,5]-4:H-1:H-1:	N[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(CHH)	C[5](N[5,5]C[5,5]C[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C(N[5,5]C[5,5]C[5]2)(H)2	N[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(CHH){3|C<3>,7|H<1>}	C[5](N[5,5]C[5,5]C[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|C<4>,3|C<3>,6|H<1>}	C(N[5,5]C[5,5]C[5]2)(H)2	110.9400	0.000	1	110.9400	0.000	1	110.9400	0.000	1	110.9400	0.000	1	111.0415	0.021	2	111.8748	8.538	10
999	474	930	0:SP3_SP2_SP3	N[5,5]	C[5]	C	4:4:4:3:	4:4:1:1:	4:1:1:	C[5]-4:C[5,5]-4:C[5]-4:C-3:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:H-1:H-1:	N[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(CHH)	C[5](N[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2	C(N[5,5]C[5,5]C[5]2)(H)2	N[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(CHH){3|C<3>,7|H<1>}	C[5](N[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C(N[5,5]C[5,5]C[5]2)(H)2	111.1430	0.000	1	111.1430	0.000	1	111.1430	0.000	1	111.1430	0.000	1	111.0415	0.021	2	111.8748	8.538	10
999	474	930	0:SP3_SP2_SP3	N[5]	C[5]	C	4:3:3:1:	4:3:1:1:	4:4:1:	C[5]-4:C[5]-3:C-3:H-1:	N[5]-4:C[5]-3:H-1:H-1:	N[5]-4:C-4:H-1:	N[5](C[5]C[5]HH)(C[5]C[5]H)(CCH)(H)	C[5](N[5]C[5]CH)(C[5]C[5]H)(H)2	C(N[5]C[5]2H)(CHHN)(H)	N[5](C[5]C[5]HH)(C[5]C[5]H)(CCH)(H){2|H<1>}	C[5](N[5]C[5]CH)(C[5]C[5]H)(H)2{2|H<1>}	C(N[5]C[5]2H)(CHHN)(H)	117.1160	0.000	1	117.1160	0.000	1	117.1160	0.000	1	117.1160	0.000	1	112.4200	11.454	7	111.8748	8.538	10
999	474	930	0:SP3_SP2_SP3	N[5]	C[5]	C	4:4:3:1:	4:4:1:1:	4:3:1:	C[5]-4:C[5]-4:C-3:O-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:C-3:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)(O)	C[5](C[5]C[5]HH)(N[5]C[5]CO)(H)2	C(N[5]C[5]2O)(CCH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)(O){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CO)(H)2{1|C<4>,3|H<1>}	C(N[5]C[5]2O)(CCH)(H)	107.7180	0.000	1	107.7180	0.000	1	107.7180	0.000	1	107.7180	0.000	1	112.4200	11.454	7	111.8748	8.538	10
999	474	930	0:SP3_SP2_SP3	N[5]	C[5]	C	4:4:3:1:	4:4:1:1:	4:3:3:	C[5]-4:C[5]-4:C-3:O-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:C-3:C-3:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCC)(O)	C[5](C[5]C[5]HH)(N[5]C[5]CO)(H)2	C(N[5]C[5]2O)(CCH)(COO)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCC)(O){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CO)(H)2{1|C<4>,3|H<1>}	C(N[5]C[5]2O)(CCH)(COO)	109.7525	0.305	2	109.7525	0.093	2	109.7525	0.093	2	109.7525	0.093	2	112.4200	11.454	7	111.8748	8.538	10
999	474	930	0:SP3_SP2_SP3	N[5]	C[5]	C	4:4:3:1:	4:4:4:1:	4:3:1:	C[5]-4:C[5]-4:C-3:O-1:	C[5]-4:N[5]-4:C-4:H-1:	N[5]-4:C-3:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)(O)	C[5](C[5]C[5]HH)(N[5]C[5]CO)(CC[6a]2O)(H)	C(N[5]C[5]2O)(CCH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)(O){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CO)(CC[6a]2O)(H){4|H<1>}	C(N[5]C[5]2O)(CCH)(H)	113.5220	0.000	1	113.5220	0.000	1	113.5220	0.000	1	113.5220	0.000	1	112.4200	11.454	7	111.8748	8.538	10
999	474	930	0:SP3_SP2_SP3	N[5]	C[5]	C	4:4:3:1:	4:4:4:1:	4:3:3:	C[5]-4:C[5]-4:C-3:O-1:	C[5]-4:N[5]-4:C-4:H-1:	N[5]-4:C-3:C-3:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCC)(O)	C[5](C[5]C[5]HH)(N[5]C[5]CO)(CC[6a]2O)(H)	C(N[5]C[5]2O)(CCH)(COO)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCC)(O){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CO)(CC[6a]2O)(H){4|H<1>}	C(N[5]C[5]2O)(CCH)(COO)	114.5395	0.206	2	114.5395	0.042	2	114.5395	0.042	2	114.5395	0.042	2	112.4200	11.454	7	111.8748	8.538	10
999	474	931	5:SP3_SP3_SPD5	N[5]	C[5]	Si[5,5]	5:4:4:1:	4:4:4:1:	3:4:3:2:2:	Si[5,5]-5:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:C-4:H-1:	C[6a]-3:N[5]-4:N[5]-3:O[5]-2:O[5]-2:	N[5](Si[5,5]C[6a]N[5]O[5]2)(C[5]C[5]CH)(CH3)(H)	C[5](C[5]C[6a]O[5]H)(N[5]Si[5,5]CH)(CH3)(H)	Si[5,5](C[6a]C[6a]2)(N[5]C[5]CH)(N[5]N[5]C)(O[5]C[5])2	N[5](Si[5,5]C[6a]N[5]O[5]2)(C[5]C[5]CH)(CH3)(H){1|H<1>,1|N<2>,5|C<3>}	C[5](C[5]C[6a]O[5]H)(N[5]Si[5,5]CH)(CH3)(H){1|N<3>,1|O<2>,3|C<3>}	Si[5,5](C[6a]C[6a]2)(N[5]C[5]CH)(N[5]N[5]C)(O[5]C[5])2{1|C<4>,4|C<3>,4|H<1>}	105.1550	0.000	1	105.1550	0.000	1	105.1550	0.000	1	105.1550	0.000	1	105.1550	0.000	1	106.9373	5.915	3
999	474	931	5:SP3_SP3_SPD5	N[5]	C[5]	Si[5]	5:4:4:4:	4:4:1:1:	4:4:1:1:1:	Si[5]-5:C[5]-4:C-4:C-4:	N[5]-4:C[5]-4:H-1:H-1:	N[5]-4:N[5]-4:Cl-1:Cl-1:Cl-1:	N[5](Si[5]N[5]Cl3)(C[5]C[5]HH)(CCHH)(CH3)	C[5](N[5]Si[5]CC)(C[5]N[5]HH)(H)2	Si[5](N[5]C[5]CC)2(Cl)3	N[5](Si[5]N[5]Cl3)(C[5]C[5]HH)(CCHH)(CH3){2|C<4>,2|H<1>}	C[5](N[5]Si[5]CC)(C[5]N[5]HH)(H)2{3|Cl<1>,2|C<4>}	Si[5](N[5]C[5]CC)2(Cl)3{4|H<1>}	107.8285	2.658	2	107.8285	7.065	2	107.8285	7.065	2	107.8285	7.065	2	107.8285	7.065	2	106.9373	5.915	3
999	474	939	5:SP3_SP2_SP3	N[5,5]	C[5]	Ge[3x5]	3:4:4:4:	4:4:1:1:	4:4:4:	Ge[3x5]-3:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:N[5,5]-4:N[5,5]-4:	N[5,5](Ge[3x5]N[5,5]2)(C[5]C[5]HH)2(CH3)	C[5](N[5,5]Ge[3x5]C[5]C)(C[5]N[5,5]HH)(H)2	Ge[3x5](N[5,5]C[5]2C)3	N[5,5](Ge[3x5]N[5,5]2)(C[5]C[5]HH)2(CH3){4|C<4>,4|H<1>}	C[5](N[5,5]Ge[3x5]C[5]C)(C[5]N[5,5]HH)(H)2{1|N<4>,2|H<1>,3|C<4>}	Ge[3x5](N[5,5]C[5]2C)3{12|H<1>}	107.8536	3.664	5	107.8536	13.426	5	107.8536	13.426	5	107.8536	13.426	5	107.8536	13.426	5	107.8536	13.426	5
999	474	939	6:SP3_SP2_SP3	N[5,5,6]	C[5,5,6]	Ge[5,5,6]	4:3:2:4:	4:4:3:1:	3:4:3:	C[5,5,6]-4:Ge[5,5,6]-3:Ge[5]-2:C-4:	C[5,5,6]-4:N[5,5,6]-4:C[5,6a]-3:H-1:	C[5,6,6a]-3:N[5,5,6]-4:N[5,5]-3:	N[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(Ge[5,5,6]C[5,6,6a]N[5,5])(Ge[5]C[5,6a])(CC3)	C[5,5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(N[5,5,6]Ge[5,5,6]Ge[5]C)(C[5,6a]C[5,6a]C[6a])(H)	Ge[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(N[5,5,6]C[5,5,6]Ge[5]C)(N[5,5]C[5,5,6]C)	N[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(Ge[5,5,6]C[5,6,6a]N[5,5])(Ge[5]C[5,6a])(CC3){1|C<4>,1|H<1>,4|C<3>}	C[5,5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(N[5,5,6]Ge[5,5,6]Ge[5]C)(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,1|H<1>,4|C<3>}	Ge[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(N[5,5,6]C[5,5,6]Ge[5]C)(N[5,5]C[5,5,6]C){2|H<1>,5|C<3>}	110.8970	0.000	1	110.8970	0.000	1	110.8970	0.000	1	110.8970	0.000	1	110.8970	0.000	1	110.8980	0.000	2
999	474	939	6:SP3_SP2_SP3	N[5,6,6]	C[5,6,6]	Ge[5,6]	4:3:4:1:	4:4:3:4:	4:3:3:	C[5,6,6]-4:Ge[5,6]-3:C[6]-4:H-1:	N[5,6,6]-4:C[6,6]-4:C[5,6]-3:C-4:	N[5,6,6]-4:N[5,6]-3:N[6,6]-3:	N[5,6,6](C[5,6,6]C[5,6]C[6,6]C)(Ge[5,6]N[5,6]N[6,6])(C[6]C[6]HH)(H)	C[5,6,6](N[5,6,6]Ge[5,6]C[6]H)(C[6,6]C[6,6]N[6]C)(C[5,6]N[5,6]C[6])(CH3)	Ge[5,6](N[5,6,6]C[5,6,6]C[6]H)(N[5,6]C[5,6]C[6])(N[6,6]C[6,6]C[6])	N[5,6,6](C[5,6,6]C[5,6]C[6,6]C)(Ge[5,6]N[5,6]N[6,6])(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5,6,6](N[5,6,6]Ge[5,6]C[6]H)(C[6,6]C[6,6]N[6]C)(C[5,6]N[5,6]C[6])(CH3){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	Ge[5,6](N[5,6,6]C[5,6,6]C[6]H)(N[5,6]C[5,6]C[6])(N[6,6]C[6,6]C[6]){3|C<4>,4|C<3>,4|H<1>}	110.8990	0.000	1	110.8990	0.000	1	110.8990	0.000	1	110.8990	0.000	1	110.8990	0.000	1	110.8980	0.000	2
999	474	943	0:SP3_SP-NON_SP3	N[5,6]	C[5]	Ga[6]	4:4:4:4:	4:4:1:1:	4:2:2:1:	C[6]-4:Ga[6]-4:C[5]-4:C[5]-4:	N[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-4:O[6]-2:O-2:Cl-1:	N[5,6](C[6]C[6,6a]HH)(Ga[6]O[6]ClO)(C[5]C[5]2H)(C[5]C[5]HH)	C[5](N[5,6]Ga[6]C[5]C[6])(C[5]C[5]HH)(H)2	Ga[6](N[5,6]C[5]2C[6])(O[6]C[6,6a])(OC[6a])(Cl)	N[5,6](C[6]C[6,6a]HH)(Ga[6]O[6]ClO)(C[5]C[5]2H)(C[5]C[5]HH){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[5](N[5,6]Ga[6]C[5]C[6])(C[5]C[5]HH)(H)2{1|Cl<1>,1|C<3>,1|C<4>,2|O<2>,5|H<1>}	Ga[6](N[5,6]C[5]2C[6])(O[6]C[6,6a])(OC[6a])(Cl){2|C<3>,3|C<4>,5|H<1>}	114.2790	0.000	1	114.2790	0.000	1	114.2790	0.000	1	114.2790	0.000	1	114.6215	0.235	2	114.6215	0.235	2
999	474	943	0:SP3_SP-NON_SP3	N[5,6]	C[5]	Ga[6]	4:4:4:4:	4:4:4:1:	4:2:2:1:	C[6]-4:Ga[6]-4:C[5]-4:C[5]-4:	N[5,6]-4:C[5]-4:C[5]-4:H-1:	N[5,6]-4:O[6]-2:O-2:Cl-1:	N[5,6](C[6]C[6,6a]HH)(Ga[6]O[6]ClO)(C[5]C[5]2H)(C[5]C[5]HH)	C[5](N[5,6]Ga[6]C[5]C[6])(C[5]C[5]N[5]H)(C[5]C[5]HH)(H)	Ga[6](N[5,6]C[5]2C[6])(O[6]C[6,6a])(OC[6a])(Cl)	N[5,6](C[6]C[6,6a]HH)(Ga[6]O[6]ClO)(C[5]C[5]2H)(C[5]C[5]HH){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[5](N[5,6]Ga[6]C[5]C[6])(C[5]C[5]N[5]H)(C[5]C[5]HH)(H){1|Cl<1>,1|C<3>,2|O<2>,3|C<4>,8|H<1>}	Ga[6](N[5,6]C[5]2C[6])(O[6]C[6,6a])(OC[6a])(Cl){2|C<3>,3|C<4>,5|H<1>}	114.9640	0.000	1	114.9640	0.000	1	114.9640	0.000	1	114.9640	0.000	1	114.6215	0.235	2	114.6215	0.235	2
999	474	946	5:SP3_SP1_SP3	N[5,5,6]	C[5,5,6]	Ge[5]	4:3:2:4:	4:4:3:1:	4:3:	C[5,5,6]-4:Ge[5,5,6]-3:Ge[5]-2:C-4:	C[5,5,6]-4:N[5,5,6]-4:C[5,6a]-3:H-1:	N[5,5,6]-4:C[5,6a]-3:	N[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(Ge[5,5,6]C[5,6,6a]N[5,5])(Ge[5]C[5,6a])(CC3)	C[5,5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(N[5,5,6]Ge[5,5,6]Ge[5]C)(C[5,6a]C[5,6a]C[6a])(H)	Ge[5](N[5,5,6]Ge[5,5,6]C[5,5,6]C)(C[5,6a]C[5,6a]C[6a])	N[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(Ge[5,5,6]C[5,6,6a]N[5,5])(Ge[5]C[5,6a])(CC3){1|C<4>,1|H<1>,4|C<3>}	C[5,5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(N[5,5,6]Ge[5,5,6]Ge[5]C)(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,1|H<1>,4|C<3>}	Ge[5](N[5,5,6]Ge[5,5,6]C[5,5,6]C)(C[5,6a]C[5,6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	99.3694	0.000	1	99.3694	0.000	1	99.3694	0.000	1	99.3694	0.000	1	99.3694	0.000	1	99.3694	0.000	1
999	474	951	0:SP3_SP-NON_SP3	N[3x5]	C[5,5]	H	4:4:4:1:	4:3:2:1:	4:	B[5,5]-4:C[5,5]-4:C[5,5]-4:H-1:	N[3x5]-4:C[5,6a]-3:O[5]-2:H-1:	N[3x5]-4:	N[3x5](B[5,5]C[5,6a]O[5]O)(C[5,5]C[5,6a]O[5]H)(C[5,5]C[5]2C)(H)	C[5,5](N[3x5]B[5,5]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)	H(N[3x5]B[5,5]C[5,5]2)	N[3x5](B[5,5]C[5,6a]O[5]O)(C[5,5]C[5,6a]O[5]H)(C[5,5]C[5]2C)(H){2|C<3>,4|H<1>}	C[5,5](N[3x5]B[5,5]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(N[3x5]B[5,5]C[5,5]2)	110.0300	0.000	1	110.0300	0.000	1	110.0300	0.000	1	109.1790	1.024	3	110.9327	3.593	8	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[3x5]	C[5,5]	H	4:4:4:1:	4:3:2:1:	4:	B[5,5]-4:C[5,5]-4:C[5,5]-4:H-1:	N[3x5]-4:C[5,6a]-3:S[5]-2:H-1:	N[3x5]-4:	N[3x5](B[5,5]C[5,6a]O[5]O)(C[5,5]C[5,6a]S[5]H)(C[5,5]C[5]2H)(H)	C[5,5](N[3x5]B[5,5]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(S[5]C[5])(H)	H(N[3x5]B[5,5]C[5,5]2)	N[3x5](B[5,5]C[5,6a]O[5]O)(C[5,5]C[5,6a]S[5]H)(C[5,5]C[5]2H)(H){1|O<1>,2|C<3>,2|H<1>}	C[5,5](N[3x5]B[5,5]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(S[5]C[5])(H){2|O<2>,3|C<3>,4|H<1>}	H(N[3x5]B[5,5]C[5,5]2)	108.7535	0.981	2	108.7535	0.962	2	108.7535	0.962	2	109.1790	1.024	3	110.9327	3.593	8	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[3x5]	C[5,5]	H	4:4:4:1:	4:3:2:4:	4:	B[5,5]-4:C[5,5]-4:C[5,5]-4:H-1:	N[3x5]-4:C[5,6a]-3:O[5]-2:C-4:	N[3x5]-4:	N[3x5](B[5,5]C[5,6a]O[5]O)(C[5,5]C[5,6a]O[5]C)(C[5,5]C[5]2C)(H)	C[5,5](N[3x5]B[5,5]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CH3)	H(N[3x5]B[5,5]C[5,5]2)	N[3x5](B[5,5]C[5,6a]O[5]O)(C[5,5]C[5,6a]O[5]C)(C[5,5]C[5]2C)(H){2|C<3>,4|H<1>}	C[5,5](N[3x5]B[5,5]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CH3){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(N[3x5]B[5,5]C[5,5]2)	111.6060	0.000	1	111.6060	0.000	1	111.6060	0.000	1	111.6060	0.000	1	110.9327	3.593	8	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[3x5]	C[5,5]	H	4:4:4:1:	4:4:3:1:	4:	B[5,5]-4:C[5,5]-4:C[5,5]-4:H-1:	N[3x5]-4:C[5]-4:C[5]-3:H-1:	N[3x5]-4:	N[3x5](B[5,5]C[5,6a]O[5]O)(C[5,5]C[5,6a]S[5]H)(C[5,5]C[5]2H)(H)	C[5,5](N[3x5]B[5,5]C[5,5]H)(C[5]S[5]HH)(C[5]O[5]O)(H)	H(N[3x5]B[5,5]C[5,5]2)	N[3x5](B[5,5]C[5,6a]O[5]O)(C[5,5]C[5,6a]S[5]H)(C[5,5]C[5]2H)(H){1|O<1>,2|C<3>,2|H<1>}	C[5,5](N[3x5]B[5,5]C[5,5]H)(C[5]S[5]HH)(C[5]O[5]O)(H){1|H<1>,1|O<2>,2|C<3>}	H(N[3x5]B[5,5]C[5,5]2)	112.2385	2.839	2	112.2385	8.060	2	112.2385	8.060	2	112.2385	8.060	2	110.9327	3.593	8	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[3x5]	C[5,5]	H	4:4:4:1:	4:4:4:4:	4:	B[5,5]-4:C[5,5]-4:C[5,5]-4:H-1:	N[3x5]-4:C[5]-4:C[5]-4:C-4:	N[3x5]-4:	N[3x5](B[5,5]C[5,6a]O[5]O)(C[5,5]C[5,6a]O[5]C)(C[5,5]C[5]2C)(H)	C[5,5](N[3x5]B[5,5]C[5,5]H)(C[5]O[5]HH)2(CHHO)	H(N[3x5]B[5,5]C[5,5]2)	N[3x5](B[5,5]C[5,6a]O[5]O)(C[5,5]C[5,6a]O[5]C)(C[5,5]C[5]2C)(H){2|C<3>,4|H<1>}	C[5,5](N[3x5]B[5,5]C[5,5]H)(C[5]O[5]HH)2(CHHO){1|C<4>,1|O<2>,2|C<3>}	H(N[3x5]B[5,5]C[5,5]2)	111.9100	0.000	1	111.9100	0.000	1	111.9210	0.000	2	111.9210	0.000	2	110.9327	3.593	8	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[3x5]	C[5,5]	H	4:4:4:1:	4:4:4:4:	4:	B[5,5]-4:C[5,5]-4:C[5,5]-4:H-1:	N[3x5]-4:C[5]-4:C[5]-4:C-4:	N[3x5]-4:	N[3x5](B[5,5]C[5,6a]O[5]O)(C[5,5]C[5,6a]O[5]H)(C[5,5]C[5]2C)(H)	C[5,5](N[3x5]B[5,5]C[5,5]H)(C[5]O[5]HH)2(CHHO)	H(N[3x5]B[5,5]C[5,5]2)	N[3x5](B[5,5]C[5,6a]O[5]O)(C[5,5]C[5,6a]O[5]H)(C[5,5]C[5]2C)(H){2|C<3>,4|H<1>}	C[5,5](N[3x5]B[5,5]C[5,5]H)(C[5]O[5]HH)2(CHHO){1|H<1>,1|O<2>,2|C<3>}	H(N[3x5]B[5,5]C[5,5]2)	111.9320	0.000	1	111.9320	0.000	1	111.9210	0.000	2	111.9210	0.000	2	110.9327	3.593	8	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,5,6]	C[3x5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:N[5,5,6]-4:C[5,5]-4:H-1:	N[5,5,6]-4:	N[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]C[5]CH)(H)	C[3x5,6](C[5,5,6]O[5,6]C[5]H)(N[5,5,6]C[5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H)	H(N[5,5,6]C[3x5,6]C[5,6]C[5])	N[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]C[5]CH)(H){1|O<2>,6|H<1>}	C[3x5,6](C[5,5,6]O[5,6]C[5]H)(N[5,5,6]C[5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H){1|C<3>,6|H<1>}	H(N[5,5,6]C[3x5,6]C[5,6]C[5])	120.6200	0.000	1	120.6200	0.000	1	116.2485	38.220	2	116.2485	38.220	2	116.2485	38.220	2	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,5,6]	C[3x5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:N[5,5,6]-4:C[5,5]-4:H-1:	N[5,5,6]-4:	N[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]C[5]HH)(H)	C[3x5,6](C[5,5,6]O[5,6]C[5]H)(N[5,5,6]C[5,6]C[5]H)(C[5,5]C[5,5,6]HN)(H)	H(N[5,5,6]C[3x5,6]C[5,6]C[5])	N[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]C[5]HH)(H){1|N<3>,1|O<2>,5|H<1>}	C[3x5,6](C[5,5,6]O[5,6]C[5]H)(N[5,5,6]C[5,6]C[5]H)(C[5,5]C[5,5,6]HN)(H){7|H<1>}	H(N[5,5,6]C[3x5,6]C[5,6]C[5])	111.8770	0.000	1	111.8770	0.000	1	116.2485	38.220	2	116.2485	38.220	2	116.2485	38.220	2	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,5,6]	C[5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:N[5,5,6]-3:H-1:	N[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	N[5,5,6]-4:	N[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[6,6a]C[5,6]H)(N[5,5,6]C[5,5,6]C[5])(H)	C[5,5,6](N[5,5,6]N[5,5,6]C[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(N[5,5,6]C[5,5,6]N[5,5,6]C[5,6])	N[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[6,6a]C[5,6]H)(N[5,5,6]C[5,5,6]C[5])(H){2|C<3>,4|C<4>,6|H<1>}	C[5,5,6](N[5,5,6]N[5,5,6]C[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,2|C<4>,4|H<1>}	H(N[5,5,6]C[5,5,6]N[5,5,6]C[5,6])	109.4290	0.000	1	109.4290	0.000	1	109.4290	0.000	1	109.4290	0.000	1	109.4290	0.000	1	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,5,6]	C[5,6]	H	4:4:3:1:	4:3:4:1:	4:	C[5,5,6]-4:C[5,6]-4:N[5,5,6]-3:H-1:	N[5,5,6]-4:C[6,6a]-3:C[5,6]-4:H-1:	N[5,5,6]-4:	N[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[6,6a]C[5,6]H)(N[5,5,6]C[5,5,6]C[5])(H)	C[5,6](N[5,5,6]C[5,5,6]N[5,5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(H)	H(N[5,5,6]C[5,5,6]N[5,5,6]C[5,6])	N[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[6,6a]C[5,6]H)(N[5,5,6]C[5,5,6]C[5])(H){2|C<3>,4|C<4>,6|H<1>}	C[5,6](N[5,5,6]C[5,5,6]N[5,5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(H){1|O<2>,2|C<3>,4|H<1>,5|C<4>}	H(N[5,5,6]C[5,5,6]N[5,5,6]C[5,6])	106.0400	0.000	1	106.0400	0.000	1	106.0400	0.000	1	106.0400	0.000	1	109.1434	8.799	5	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	B[5,5,6]-4:B[5,5,6]-4:C[5,6]-4:H-1:	B[5,5,6]-4:N[5,5,6]-4:H-1:H-1:	N[5,5,6]-4:	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)	C[5,6](B[5,5,6]N[5,5,6]2H)(N[5,5,6]B[5,5,6]2H)(H)2	H(N[5,5,6]B[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>}	C[5,6](B[5,5,6]N[5,5,6]2H)(N[5,5,6]B[5,5,6]2H)(H)2{1|B<4>,1|N<4>,3|C<4>,4|H<1>}	H(N[5,5,6]B[5,5,6]2C[5,6])	111.0080	1.583	2	111.0080	2.504	2	111.0080	2.504	2	109.9193	7.719	4	109.1434	8.799	5	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:N[5,5,6]-4:H-1:H-1:	N[5,5,6]-4:	N[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]C[5]CH)(H)	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(N[5,5,6]C[3x5,6]C[5]H)(H)2	H(N[5,5,6]C[3x5,6]C[5,6]C[5])	N[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]C[5]CH)(H){1|O<2>,6|H<1>}	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(N[5,5,6]C[3x5,6]C[5]H)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(N[5,5,6]C[3x5,6]C[5,6]C[5])	106.0100	0.000	1	106.0100	0.000	1	108.8305	15.910	2	109.9193	7.719	4	109.1434	8.799	5	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[3x5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:N[5,5,6]-4:H-1:H-1:	N[5,5,6]-4:	N[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]C[5]HH)(H)	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(N[5,5,6]C[3x5,6]C[5]H)(H)2	H(N[5,5,6]C[3x5,6]C[5,6]C[5])	N[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]C[5]HH)(H){1|N<3>,1|O<2>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(N[5,5,6]C[3x5,6]C[5]H)(H)2{1|N<3>,2|C<4>,4|H<1>}	H(N[5,5,6]C[3x5,6]C[5,6]C[5])	111.6510	0.000	1	111.6510	0.000	1	108.8305	15.910	2	109.9193	7.719	4	109.1434	8.799	5	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[3x5,6]-4:C[5,6]-4:C[5]-4:H-1:	N[5,5,6]-4:C[5]-4:H-1:H-1:	N[5,5,6]-4:	N[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]C[5]HH)(H)	C[5](N[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5,5,6]HH)(H)2	H(N[5,5,6]C[3x5,6]C[5,6]C[5])	N[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]C[5]HH)(H){1|N<3>,1|O<2>,5|H<1>}	C[5](N[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5,5,6]HH)(H)2{1|O<2>,2|C<4>,4|H<1>}	H(N[5,5,6]C[3x5,6]C[5,6]C[5])	110.4020	0.000	1	110.4020	0.000	1	110.4020	0.000	1	110.4020	0.000	1	108.4955	7.269	2	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,5,6]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[3x5,6]-4:C[5,6]-4:C[5]-4:H-1:	N[5,5,6]-4:C[5]-4:C-3:H-1:	N[5,5,6]-4:	N[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]C[5]CH)(H)	C[5](N[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5,5,6]HH)(COO)(H)	H(N[5,5,6]C[3x5,6]C[5,6]C[5])	N[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]C[5]CH)(H){1|O<2>,6|H<1>}	C[5](N[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5,5,6]HH)(COO)(H){1|O<2>,2|C<4>,4|H<1>}	H(N[5,5,6]C[3x5,6]C[5,6]C[5])	106.5890	0.000	1	106.5890	0.000	1	106.5890	0.000	1	106.5890	0.000	1	108.4955	7.269	2	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,5]	C[5,5,6]	H	4:4:1:1:	3:4:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6a]-3:N[5,5]-4:C[5,6]-3:H-1:	N[5,5]-4:	N[5,5](C[5,5,6]C[5,6,6a]C[5,6]C)(C[5,5,6]C[5,6,6a]C[5,6]H)(H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	H(N[5,5]C[5,5,6]2H)	N[5,5](C[5,5,6]C[5,6,6a]C[5,6]C)(C[5,5,6]C[5,6,6a]C[5,6]H)(H)2{2|C<3>,2|H<1>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){2|H<1>,3|C<3>}	H(N[5,5]C[5,5,6]2H)	112.6050	0.023	2	112.6050	0.001	2	112.6050	0.001	2	112.6050	0.001	2	111.9322	4.020	20	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,5]	C[5,5,6]	H	4:4:1:1:	3:4:3:3:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6a]-3:N[5,5]-4:C[5,6]-3:C-3:	N[5,5]-4:	N[5,5](C[5,5,6]C[5,6,6a]C[5,6]C)(C[5,5,6]C[5,6,6a]C[5,6]H)(H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(CN[5]O)	H(N[5,5]C[5,5,6]2H)	N[5,5](C[5,5,6]C[5,6,6a]C[5,6]C)(C[5,5,6]C[5,6,6a]C[5,6]H)(H)2{2|C<3>,2|H<1>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(CN[5]O){2|C<3>,3|H<1>}	H(N[5,5]C[5,5,6]2H)	112.5665	0.035	2	112.5665	0.001	2	112.5665	0.001	2	112.5665	0.001	2	111.9322	4.020	20	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:N[5,5]-4:C[5,6]-4:H-1:	N[5,5]-4:	N[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](C[5,6]C[5,6]C[6a]H)(N[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	H(N[5,5]C[5,5,6]2H)	N[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<3>,7|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6a]H)(N[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){2|C<3>,5|H<1>}	H(N[5,5]C[5,5,6]2H)	113.4305	2.519	2	113.4305	6.347	2	113.4305	6.347	2	112.8586	1.560	12	111.9322	4.020	20	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	N[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	N[5,5]-4:	N[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](N[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H)	H(N[5,5]C[5,5,6]2H)	N[5,5](C[5,5,6]C[5,6]2H)2(H)2{1|C<3>,7|H<1>}	C[5,5,6](N[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H){1|C<3>,4|H<1>}	H(N[5,5]C[5,5,6]2H)	114.0375	1.510	2	112.7442	1.114	10	112.7442	1.114	10	112.8586	1.560	12	111.9322	4.020	20	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,5]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	N[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	N[5,5]-4:	N[5,5](C[5,5,6]C[5,6]2H)2(H)2	C[5,5,6](N[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H)	H(N[5,5]C[5,5,6]2H)	N[5,5](C[5,5,6]C[5,6]2H)2(H)2{8|H<1>}	C[5,5,6](N[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)2(H){5|H<1>}	H(N[5,5]C[5,5,6]2H)	112.4209	0.714	8	112.7442	1.114	10	112.7442	1.114	10	112.8586	1.560	12	111.9322	4.020	20	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,5]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C-4:H-1:	N[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	N[5,5]-4:	N[5,5](C[5,5,6]C[5,6]2H)2(CCCH)(H)	C[5,5,6](N[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)2(H)	H(N[5,5]C[5,5,6]2C)	N[5,5](C[5,5,6]C[5,6]2H)2(CCCH)(H){8|H<1>}	C[5,5,6](N[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)2(H){5|H<1>}	H(N[5,5]C[5,5,6]2C)	108.4820	0.023	2	108.4820	0.001	2	108.5627	0.020	3	108.4998	0.029	4	111.9322	4.020	20	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,5]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C-4:H-1:	N[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	N[5,5]-4:	N[5,5](C[5,5,6]C[5,6]2H)2(CC[6a]CH)(H)	C[5,5,6](N[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)2(H)	H(N[5,5]C[5,5,6]2C)	N[5,5](C[5,5,6]C[5,6]2H)2(CC[6a]CH)(H){8|H<1>}	C[5,5,6](N[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)2(H){5|H<1>}	H(N[5,5]C[5,5,6]2C)	108.7240	0.000	1	108.7240	0.000	1	108.5627	0.020	3	108.4998	0.029	4	111.9322	4.020	20	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,5]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[6]-4:H-1:	N[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	N[5,5]-4:	N[5,5](C[5,5,6]C[5,6]2H)2(C[6]C[6]2H)(H)	C[5,5,6](N[5,5]C[5,5,6]C[6]H)(C[5,6]C[5,6]HH)2(H)	H(N[5,5]C[5,5,6]2C[6])	N[5,5](C[5,5,6]C[5,6]2H)2(C[6]C[6]2H)(H){12|H<1>,2|C<4>}	C[5,5,6](N[5,5]C[5,5,6]C[6]H)(C[5,6]C[5,6]HH)2(H){2|C<4>,6|H<1>}	H(N[5,5]C[5,5,6]2C[6])	108.3110	0.000	1	108.3110	0.000	1	108.3110	0.000	1	108.4998	0.029	4	111.9322	4.020	20	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,5]	C[5,5]	H	3:4:4:1:	4:4:4:1:	4:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	N[5,5]-4:C[5]-4:C[5]-4:H-1:	N[5,5]-4:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	C[5,5](N[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5]CO)(H)	H(N[5,5]C[5,6a]C[5,5]C[5])	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]HH)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[5,5](N[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5]CO)(H){2|C<3>,4|H<1>}	H(N[5,5]C[5,6a]C[5,5]C[5])	109.9270	0.000	1	109.9270	0.000	1	109.9270	0.000	1	109.9270	0.000	1	109.5491	7.110	34	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,5]	C[5,5]	H	4:4:1:1:	4:4:1:1:	4:	C[4,5,5]-4:C[5,5]-4:H-1:H-1:	C[4,5,5]-4:N[5,5]-4:H-1:H-1:	N[5,5]-4:	N[5,5](C[4,5,5]C[4,5]2C)(C[5,5]C[4,5,5]HH)(H)2	C[5,5](C[4,5,5]C[4,5]2H)(N[5,5]C[4,5,5]HH)(H)2	H(N[5,5]C[4,5,5]C[5,5]H)	N[5,5](C[4,5,5]C[4,5]2C)(C[5,5]C[4,5,5]HH)(H)2{5|H<1>}	C[5,5](C[4,5,5]C[4,5]2H)(N[5,5]C[4,5,5]HH)(H)2{1|C<2>,4|H<1>}	H(N[5,5]C[4,5,5]C[5,5]H)	112.1980	0.629	2	111.6692	0.458	12	111.6692	0.458	12	111.6692	0.458	12	109.5491	7.110	34	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,5]	C[5,5]	H	4:4:1:1:	4:4:1:1:	4:	C[4,5,5]-4:C[5,5]-4:H-1:H-1:	C[4,5,5]-4:N[5,5]-4:H-1:H-1:	N[5,5]-4:	N[5,5](C[4,5,5]C[4,5]2C)(C[5,5]C[4,5,5]HH)(H)2	C[5,5](C[4,5,5]C[4,5]2H)(N[5,5]C[4,5,5]HH)(H)2	H(N[5,5]C[4,5,5]C[5,5]H)	N[5,5](C[4,5,5]C[4,5]2C)(C[5,5]C[4,5,5]HH)(H)2{5|H<1>}	C[5,5](C[4,5,5]C[4,5]2H)(N[5,5]C[4,5,5]HH)(H)2{1|C<4>,4|H<1>}	H(N[5,5]C[4,5,5]C[5,5]H)	111.5634	0.664	10	111.6692	0.458	12	111.6692	0.458	12	111.6692	0.458	12	109.5491	7.110	34	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,5]	C[5,5]	H	4:4:3:1:	3:4:3:4:	4:	B[5,5]-4:C[5,5]-4:N[5]-3:H-1:	C[5,6a]-3:N[5,5]-4:N[5]-3:C-4:	N[5,5]-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)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]B[5,5]N[5]H)(N[5]C[6a]C[5])(CH3)	H(N[5,5]B[5,5]C[5,5]N[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){1|S<1>,2|C<4>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]B[5,5]N[5]H)(N[5]C[6a]C[5])(CH3){1|C<4>,1|H<1>,1|S<1>,2|O<2>,4|C<3>}	H(N[5,5]B[5,5]C[5,5]N[5])	110.2555	4.652	2	110.2555	21.642	2	110.2555	21.642	2	110.2555	21.642	2	109.5491	7.110	34	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,5]	C[5,5]	H	4:4:4:1:	3:4:2:1:	4:	C[5,5]-4:B[5]-4:C[5]-4:H-1:	C[5,6a]-3:N[5,5]-4:O[5]-2:H-1:	N[5,5]-4:	N[5,5](C[5,5]C[5,6a]O[5]H)(B[5]C[5,6a]OO)(C[5]C[5]CH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]B[5]C[5]H)(O[5]C[5])(H)	H(N[5,5]C[5,5]B[5]C[5])	N[5,5](C[5,5]C[5,6a]O[5]H)(B[5]C[5,6a]OO)(C[5]C[5]CH)(H){2|C<3>,2|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]B[5]C[5]H)(O[5]C[5])(H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	H(N[5,5]C[5,5]B[5]C[5])	109.4720	0.000	2	109.4720	0.000	2	109.4720	0.000	2	109.4720	0.000	2	109.5491	7.110	34	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,5]	C[5,5]	H	4:4:4:1:	3:4:3:1:	4:	B[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,6a]-3:N[5,5]-4:N[5]-3:H-1:	N[5,5]-4:	N[5,5](B[5,5]C[5,6a]O[5]2)(C[5,5]C[5,6a]N[5]H)(C[5]C[5]HH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]B[5,5]C[5]H)(N[5]C[5]H)(H)	H(N[5,5]B[5,5]C[5,5]C[5])	N[5,5](B[5,5]C[5,6a]O[5]2)(C[5,5]C[5,6a]N[5]H)(C[5]C[5]HH)(H){1|H<1>,2|C<3>,4|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]B[5,5]C[5]H)(N[5]C[5]H)(H){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(N[5,5]B[5,5]C[5,5]C[5])	108.4490	0.000	1	106.3887	4.991	3	107.2090	6.019	4	107.2090	6.019	4	109.5491	7.110	34	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,5]	C[5,5]	H	4:4:4:1:	3:4:3:1:	4:	B[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,6a]-3:N[5,5]-4:N[5]-3:H-1:	N[5,5]-4:	N[5,5](B[5,5]C[5,6a]O[5]2)(C[5,5]C[5,6a]N[5]H)(C[5]C[5]HH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]B[5,5]C[5]H)(N[5]C[5]H)(H)	H(N[5,5]B[5,5]C[5,5]C[5])	N[5,5](B[5,5]C[5,6a]O[5]2)(C[5,5]C[5,6a]N[5]H)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]B[5,5]C[5]H)(N[5]C[5]H)(H){2|C<3>,2|O<2>,5|H<1>}	H(N[5,5]B[5,5]C[5,5]C[5])	105.3585	1.901	2	106.3887	4.991	3	107.2090	6.019	4	107.2090	6.019	4	109.5491	7.110	34	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,5]	C[5,5]	H	4:4:4:1:	3:4:3:1:	4:	B[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,6a]-3:N[5,5]-4:N[5]-3:H-1:	N[5,5]-4:	N[5,5](B[5,5]C[5,6a]O[5]2)(C[5,5]C[5,6a]N[5]H)(C[5]C[5]HH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]B[5,5]C[5]H)(N[5]C[6a]C[5])(H)	H(N[5,5]B[5,5]C[5,5]C[5])	N[5,5](B[5,5]C[5,6a]O[5]2)(C[5,5]C[5,6a]N[5]H)(C[5]C[5]HH)(H){2|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]B[5,5]C[5]H)(N[5]C[6a]C[5])(H){2|O<2>,4|C<3>,5|H<1>}	H(N[5,5]B[5,5]C[5,5]C[5])	109.6700	0.000	1	109.6700	0.000	1	107.2090	6.019	4	107.2090	6.019	4	109.5491	7.110	34	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,5]	C[5,5]	H	4:4:4:1:	3:4:4:3:	4:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,6a]-3:N[5,5]-4:C[5]-4:C[5]-3:	N[5,5]-4:	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(C[5]N[5]O)	H(N[5,5]C[5,5]2C[5])	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)(H){1|N<3>,1|O<1>,4|C<3>,6|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(C[5]N[5]O){2|C<4>,3|C<3>,6|H<1>}	H(N[5,5]C[5,5]2C[5])	105.6885	0.308	2	105.6885	0.095	2	105.6885	0.095	2	105.6885	0.095	2	109.5491	7.110	34	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	B[5,5]-4:C[5,5]-4:C[5]-4:H-1:	N[5,5]-4:C[5]-4:C[5]-4:H-1:	N[5,5]-4:	N[5,5](B[5,5]N[5,5]O[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	C[5,5](N[5,5]B[5,5]C[5]H)(C[5]C[6a]2O[5])(C[5]C[5]HH)(H)	H(N[5,5]B[5,5]C[5,5]C[5])	N[5,5](B[5,5]N[5,5]O[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)(H){1|B<4>,2|C<3>,3|C<4>,4|H<1>}	C[5,5](N[5,5]B[5,5]C[5]H)(C[5]C[6a]2O[5])(C[5]C[5]HH)(H){1|N<4>,1|O<2>,4|C<3>,4|H<1>}	H(N[5,5]B[5,5]C[5,5]C[5])	109.4320	0.000	1	109.4320	0.000	1	109.4320	0.000	1	107.4055	10.350	6	109.5491	7.110	34	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	N[5,5]-4:C[5]-4:C[5]-4:H-1:	N[5,5]-4:	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	C[5,5](N[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)	H(N[5,5]C[5,5]2C[5])	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)(H){1|N<3>,1|O<1>,4|C<3>,6|H<1>}	C[5,5](N[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H){5|C<3>,5|H<1>}	H(N[5,5]C[5,5]2C[5])	105.6850	0.262	2	105.6850	0.068	2	105.6850	0.068	2	107.4055	10.350	6	109.5491	7.110	34	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:N[5,5]-4:C[5]-4:H-1:	N[5,5]-4:	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]CH)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5]2H)(C[5]C[5]HI)(H)	H(N[5,5]C[5,5]C[5]2)	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]CH)(C[5]C[5]HH)(H){1|I<1>,2|O<2>,5|H<1>}	C[5,5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5]2H)(C[5]C[5]HI)(H){1|O<2>,2|C<4>,6|H<1>}	H(N[5,5]C[5,5]C[5]2)	106.7240	0.000	1	106.7240	0.000	1	109.7965	18.881	2	107.4055	10.350	6	109.5491	7.110	34	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:N[5,5]-4:C[5]-4:H-1:	N[5,5]-4:	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5]2H)(C[5]C[5]HH)(H)	H(N[5,5]C[5,5]C[5]2)	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]C[5]HH)(H){1|N<3>,2|O<2>,5|H<1>}	C[5,5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5]2H)(C[5]C[5]HH)(H){1|C<4>,1|N<3>,1|O<2>,6|H<1>}	H(N[5,5]C[5,5]C[5]2)	112.8690	0.000	1	112.8690	0.000	1	109.7965	18.881	2	107.4055	10.350	6	109.5491	7.110	34	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	N[5,5]-4:C[5]-4:C[5]-4:H-1:	N[5,5]-4:	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)2(H)	C[5,5](N[5,5]C[5]2H)(C[5]C[5]BrH)(C[5]C[5]HN)(H)	H(N[5,5]C[5,5]C[5]2)	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)2(H){1|Br<1>,1|N<2>,1|O<2>,5|H<1>}	C[5,5](N[5,5]C[5]2H)(C[5]C[5]BrH)(C[5]C[5]HN)(H){1|O<2>,7|H<1>}	H(N[5,5]C[5,5]C[5]2)	104.0380	0.000	1	104.0380	0.000	1	104.0380	0.000	1	107.4055	10.350	6	109.5491	7.110	34	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	N[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:	N[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)2(H)	C[5,5](N[5,5]C[5]2H)(C[5]C[5]HH)2(CCHH)	H(N[5,5]C[5,5]C[5]2)	N[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)2(H){8|H<1>}	C[5,5](N[5,5]C[5]2H)(C[5]C[5]HH)2(CCHH){8|H<1>}	H(N[5,5]C[5,5]C[5]2)	109.1180	0.000	1	109.1180	0.000	1	110.1224	0.511	5	110.1224	0.511	5	109.5491	7.110	34	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,5]	C[5,5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	N[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:	N[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)2(H)	C[5,5](N[5,5]C[5]2H)(C[5]C[5]HH)2(CHHN)	H(N[5,5]C[5,5]C[5]2)	N[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)2(H){8|H<1>}	C[5,5](N[5,5]C[5]2H)(C[5]C[5]HH)2(CHHN){8|H<1>}	H(N[5,5]C[5,5]C[5]2)	110.3735	0.511	4	110.3735	0.261	4	110.1224	0.511	5	110.1224	0.511	5	109.5491	7.110	34	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	C[5](N[5,5]C[5,6a]C[5,5]H)(C[5]C[5]HH)(H)2	H(N[5,5]C[5,6a]C[5,5]C[5])	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]HH)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[5](N[5,5]C[5,6a]C[5,5]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(N[5,5]C[5,6a]C[5,5]C[5])	109.6900	0.000	1	109.6900	0.000	1	109.6900	0.000	1	109.6900	0.000	1	108.7823	3.928	71	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,5]	C[5]	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:	N[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H)	C[5](N[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(N[5,5]N[5,5]C[5]2)	N[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H){1|O<1>,3|H<1>,5|C<3>}	C[5](N[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(N[5,5]N[5,5]C[5]2)	111.9040	0.000	1	111.9040	0.000	1	111.9040	0.000	1	111.9040	0.000	1	108.7823	3.928	71	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,5]	C[5]	H	4:3:4:1:	4:4:3:1:	4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:N[5,5]-4:C[6a]-3:H-1:	N[5,5]-4:	N[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)	H(N[5,5]N[5,5]C[5]2)	N[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H){1|O<1>,3|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,5|H<1>,6|C<3>}	H(N[5,5]N[5,5]C[5]2)	111.8570	0.000	1	111.8570	0.000	1	111.8570	0.000	1	111.8570	0.000	1	108.7823	3.928	71	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	B[5,5]-4:C[5,5]-4:C[5]-4:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-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)	C[5](N[5,5]B[5,5]C[5,5]H)(C[5]N[5]CC)(H)2	H(N[5,5]B[5,5]C[5,5]C[5])	N[5,5](B[5,5]C[5,6a]O[5]2)(C[5,5]C[5,6a]N[5]H)(C[5]C[5]HH)(H){1|H<1>,2|C<3>,4|C<4>}	C[5](N[5,5]B[5,5]C[5,5]H)(C[5]N[5]CC)(H)2{2|C<3>,2|H<1>,2|O<2>}	H(N[5,5]B[5,5]C[5,5]C[5])	106.2070	0.000	1	106.2070	0.000	1	108.5660	3.242	5	109.3766	3.100	36	108.7823	3.928	71	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	B[5,5]-4:C[5,5]-4:C[5]-4:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-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)	C[5](N[5,5]B[5,5]C[5,5]H)(C[5]N[5]HH)(H)2	H(N[5,5]B[5,5]C[5,5]C[5])	N[5,5](B[5,5]C[5,6a]O[5]2)(C[5,5]C[5,6a]N[5]H)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,3|H<1>}	C[5](N[5,5]B[5,5]C[5,5]H)(C[5]N[5]HH)(H)2{2|C<3>,2|H<1>,2|O<2>}	H(N[5,5]B[5,5]C[5,5]C[5])	109.2900	2.319	2	109.0240	2.902	3	108.5660	3.242	5	109.3766	3.100	36	108.7823	3.928	71	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	B[5,5]-4:C[5,5]-4:C[5]-4:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-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)	C[5](N[5,5]B[5,5]C[5,5]H)(C[5]N[5]HH)(H)2	H(N[5,5]B[5,5]C[5,5]C[5])	N[5,5](B[5,5]C[5,6a]O[5]2)(C[5,5]C[5,6a]N[5]H)(C[5]C[5]HH)(H){2|C<4>,2|H<1>,3|C<3>}	C[5](N[5,5]B[5,5]C[5,5]H)(C[5]N[5]HH)(H)2{1|H<1>,2|O<2>,3|C<3>}	H(N[5,5]B[5,5]C[5,5]C[5])	108.4920	0.000	1	109.0240	2.902	3	108.5660	3.242	5	109.3766	3.100	36	108.7823	3.928	71	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	B[5,5]-4:C[5,5]-4:C[5]-4:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-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)	C[5](N[5,5]B[5,5]C[5,5]H)(C[5]C[5]HH)(H)2	H(N[5,5]B[5,5]C[5,5]C[5])	N[5,5](B[5,5]N[5,5]O[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)(H){1|B<4>,2|C<3>,3|C<4>,4|H<1>}	C[5](N[5,5]B[5,5]C[5,5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|N<4>,2|O<2>,3|H<1>}	H(N[5,5]B[5,5]C[5,5]C[5])	109.5510	0.000	1	109.5510	0.000	1	108.5660	3.242	5	109.3766	3.100	36	108.7823	3.928	71	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	B[5,5]-4:C[5]-4:C[5]-4:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:	N[5,5](B[5,5]B[5]O[5]2)(C[5]C[5]HH)2(H)	C[5](N[5,5]B[5,5]C[5]H)(C[5]O[5]CH)(H)2	H(N[5,5]B[5,5]C[5]2)	N[5,5](B[5,5]B[5]O[5]2)(C[5]C[5]HH)2(H){2|C<4>,2|H<1>,2|O<2>}	C[5](N[5,5]B[5,5]C[5]H)(C[5]O[5]CH)(H)2{1|B<3>,1|C<4>,1|O<2>,2|H<1>}	H(N[5,5]B[5,5]C[5]2)	111.1110	0.040	2	111.1110	0.002	2	110.8801	0.394	14	109.3766	3.100	36	108.7823	3.928	71	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	B[5,5]-4:C[5]-4:C[5]-4:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(H)	C[5](N[5,5]B[5,5]C[5]H)(C[5]O[5]HH)(H)2	H(N[5,5]B[5,5]C[5]2)	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(H){2|C<3>,4|H<1>}	C[5](N[5,5]B[5,5]C[5]H)(C[5]O[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(N[5,5]B[5,5]C[5]2)	110.8995	0.253	4	110.8995	0.064	4	110.8801	0.394	14	109.3766	3.100	36	108.7823	3.928	71	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	B[5,5]-4:C[5]-4:C[5]-4:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(H)	C[5](N[5,5]B[5,5]C[5]H)(C[5]O[5]HH)(H)2	H(N[5,5]B[5,5]C[5]2)	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(H){4|H<1>}	C[5](N[5,5]B[5,5]C[5]H)(C[5]O[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(N[5,5]B[5,5]C[5]2)	110.8475	1.260	4	110.8127	0.683	8	110.8801	0.394	14	109.3766	3.100	36	108.7823	3.928	71	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	B[5,5]-4:C[5]-4:C[5]-4:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(H)	C[5](N[5,5]B[5,5]C[5]H)(C[5]O[5]HH)(H)2	H(N[5,5]B[5,5]C[5]2)	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(H){4|H<1>}	C[5](N[5,5]B[5,5]C[5]H)(C[5]O[5]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(N[5,5]B[5,5]C[5]2)	110.7780	0.053	4	110.8127	0.683	8	110.8801	0.394	14	109.3766	3.100	36	108.7823	3.928	71	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	C[5](N[5,5]C[5,5]2H)(C[5]C[5]HH)(H)2	H(N[5,5]C[5,5]2C[5])	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)(H){1|N<3>,1|O<1>,4|C<3>,6|H<1>}	C[5](N[5,5]C[5,5]2H)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(N[5,5]C[5,5]2C[5])	105.7085	0.299	2	105.7085	0.089	2	105.7085	0.089	2	109.3766	3.100	36	108.7823	3.928	71	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:N[5,5]-4:H-1:H-1:	N[5,5]-4:	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5,5]C[5]H)(H)2	H(N[5,5]C[5,5]C[5]2)	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]C[5]HH)(H){1|N<3>,2|O<2>,5|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5,5]C[5]H)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(N[5,5]C[5,5]C[5]2)	108.5180	0.000	1	108.5180	0.000	1	108.5180	0.000	1	109.3766	3.100	36	108.7823	3.928	71	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]CH)(C[5]C[5]HH)(H)	C[5](N[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(N[5,5]C[5,5]C[5]2)	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]CH)(C[5]C[5]HH)(H){1|I<1>,2|O<2>,5|H<1>}	C[5](N[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|I<1>,3|C<4>,3|H<1>}	H(N[5,5]C[5,5]C[5]2)	106.5450	0.000	1	106.5450	0.000	1	108.7480	1.708	14	109.3766	3.100	36	108.7823	3.928	71	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]C[5]HH)(H)	C[5](N[5,5]C[5,5]C[5]H)(C[5]C[5]HN)(H)2	H(N[5,5]C[5,5]C[5]2)	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]C[5]HH)(H){1|N<3>,2|O<2>,5|H<1>}	C[5](N[5,5]C[5,5]C[5]H)(C[5]C[5]HN)(H)2{2|C<4>,5|H<1>}	H(N[5,5]C[5,5]C[5]2)	108.0400	0.000	1	108.0400	0.000	1	108.7480	1.708	14	109.3766	3.100	36	108.7823	3.928	71	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:	N[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)2(H)	C[5](N[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(N[5,5]C[5,5]C[5]2)	N[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)2(H){8|H<1>}	C[5](N[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{3|C<4>,4|H<1>}	H(N[5,5]C[5,5]C[5]2)	108.9626	1.091	10	108.9626	1.190	10	108.7480	1.708	14	109.3766	3.100	36	108.7823	3.928	71	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)2(H)	C[5](N[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2	H(N[5,5]C[5,5]C[5]2)	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)2(H){1|Br<1>,1|N<2>,1|O<2>,5|H<1>}	C[5](N[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(H)2{1|Br<1>,2|C<4>,4|H<1>}	H(N[5,5]C[5,5]C[5]2)	107.4890	0.000	1	107.4890	0.000	1	108.7480	1.708	14	109.3766	3.100	36	108.7823	3.928	71	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)2(H)	C[5](N[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(H)2	H(N[5,5]C[5,5]C[5]2)	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)2(H){1|Br<1>,1|N<2>,1|O<2>,5|H<1>}	C[5](N[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(H)2{1|N<2>,2|C<4>,4|H<1>}	H(N[5,5]C[5,5]C[5]2)	110.7720	0.000	1	110.7720	0.000	1	108.7480	1.708	14	109.3766	3.100	36	108.7823	3.928	71	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:B[5]-4:C[5]-4:H-1:	N[5,5]-4:C[5]-4:C-4:H-1:	N[5,5]-4:	N[5,5](C[5,5]C[5,6a]O[5]H)(B[5]C[5,6a]OO)(C[5]C[5]CH)(H)	C[5](N[5,5]C[5,5]B[5]H)(C[5]O[5]HH)(CCHH)(H)	H(N[5,5]C[5,5]B[5]C[5])	N[5,5](C[5,5]C[5,6a]O[5]H)(B[5]C[5,6a]OO)(C[5]C[5]CH)(H){2|C<3>,2|H<1>}	C[5](N[5,5]C[5,5]B[5]H)(C[5]O[5]HH)(CCHH)(H){1|H<1>,2|C<3>,2|O<2>}	H(N[5,5]C[5,5]B[5]C[5])	104.6920	0.000	2	104.6920	0.000	2	104.6920	0.000	2	105.0950	0.487	3	108.7823	3.928	71	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:N[5,5]-4:C-4:H-1:	N[5,5]-4:	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]CH)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5,5]C[5]H)(CCHO)(H)	H(N[5,5]C[5,5]C[5]2)	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]CH)(C[5]C[5]HH)(H){1|I<1>,2|O<2>,5|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5,5]C[5]H)(CCHO)(H){1|O<2>,3|C<4>,4|H<1>}	H(N[5,5]C[5,5]C[5]2)	105.9010	0.000	1	105.9010	0.000	1	105.9010	0.000	1	105.0950	0.487	3	108.7823	3.928	71	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,5]	C[5]	H	5:4:4:1:	4:3:1:1:	4:	Ga[3x5]-5:C[5]-4:C[5]-4:H-1:	N[5,5]-4:C[5]-3:H-1:H-1:	N[5,5]-4:	N[5,5](Ga[3x5]N[5,5]O[5]2O)(C[5]C[6a]C[5]C)(C[5]C[5]HH)(H)	C[5](N[5,5]Ga[3x5]C[5]H)(C[5]O[5]O)(H)2	H(N[5,5]Ga[3x5]C[5]2)	N[5,5](Ga[3x5]N[5,5]O[5]2O)(C[5]C[6a]C[5]C)(C[5]C[5]HH)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5](N[5,5]Ga[3x5]C[5]H)(C[5]O[5]O)(H)2{1|C<3>,1|N<4>,2|C<4>,2|O<2>}	H(N[5,5]Ga[3x5]C[5]2)	108.3415	0.366	2	108.3415	0.134	2	108.3415	0.134	2	108.3415	0.134	2	108.7823	3.928	71	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,5]	C[5]	H	5:4:4:1:	4:4:3:4:	4:	Ga[3x5]-5:C[5]-4:C[5]-4:H-1:	N[5,5]-4:C[5]-4:C[6a]-3:C-4:	N[5,5]-4:	N[5,5](Ga[3x5]N[5,5]O[5]2O)(C[5]C[6a]C[5]C)(C[5]C[5]HH)(H)	C[5](N[5,5]Ga[3x5]C[5]H)(C[5]N[5,5]HH)(C[6a]C[6a]2)(CHHN)	H(N[5,5]Ga[3x5]C[5]2)	N[5,5](Ga[3x5]N[5,5]O[5]2O)(C[5]C[6a]C[5]C)(C[5]C[5]HH)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5](N[5,5]Ga[3x5]C[5]H)(C[5]N[5,5]HH)(C[6a]C[6a]2)(CHHN){2|C<4>,3|C<3>,3|O<2>,4|H<1>}	H(N[5,5]Ga[3x5]C[5]2)	108.3455	0.284	2	108.3455	0.080	2	108.3455	0.080	2	108.3455	0.080	2	108.7823	3.928	71	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,5]	C[5]	H	6:4:4:1:	4:3:1:1:	4:	Ga[3x5]-6:C[5]-4:C[5]-4:H-1:	N[5,5]-4:C[5,6]-3:H-1:H-1:	N[5,5]-4:	N[5,5](Ga[3x5]N[5,5]N[5,6]2Cl2)(C[5]C[5,6]HH)(C[5]C[5]HH)(H)	C[5](N[5,5]Ga[3x5]C[5]H)(C[5,6]N[5,6]C[6])(H)2	H(N[5,5]Ga[3x5]C[5]2)	N[5,5](Ga[3x5]N[5,5]N[5,6]2Cl2)(C[5]C[5,6]HH)(C[5]C[5]HH)(H){1|C<4>,3|H<1>,4|C<3>}	C[5](N[5,5]Ga[3x5]C[5]H)(C[5,6]N[5,6]C[6])(H)2{2|Cl<1>,1|C<4>,1|N<3>,1|N<4>,2|C<3>,3|H<1>}	H(N[5,5]Ga[3x5]C[5]2)	109.6285	0.170	2	109.6285	0.029	2	109.6285	0.029	2	109.0067	0.996	4	108.7823	3.928	71	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,5]	C[5]	H	6:4:4:1:	4:3:1:1:	4:	Ga[5x5]-6:C[5]-4:C[5]-4:H-1:	N[5,5]-4:C[5,6]-3:H-1:H-1:	N[5,5]-4:	N[5,5](Ga[5x5]N[5,5,6]2N[5,5]O[5]2)(C[5]C[5,6]HH)(C[5]C[5]HH)(H)	C[5](N[5,5]Ga[5x5]C[5]H)(C[5,6]N[5,5,6]C[6])(H)2	H(N[5,5]Ga[5x5]C[5]2)	N[5,5](Ga[5x5]N[5,5,6]2N[5,5]O[5]2)(C[5]C[5,6]HH)(C[5]C[5]HH)(H){1|C<4>,2|H<1>,6|C<3>}	C[5](N[5,5]Ga[5x5]C[5]H)(C[5,6]N[5,5,6]C[6])(H)2{1|C<4>,2|C<3>,2|N<3>,2|O<2>,3|H<1>}	H(N[5,5]Ga[5x5]C[5]2)	107.5450	0.000	1	107.5450	0.000	1	107.5450	0.000	1	109.0067	0.996	4	108.7823	3.928	71	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,5]	C[5]	H	6:4:4:1:	4:3:1:1:	4:	In[5,5]-6:C[5]-4:C[5]-4:H-1:	N[5,5]-4:C[5,6]-3:H-1:H-1:	N[5,5]-4:	N[5,5](In[5,5]N[5,6]2Br3)(C[5]C[5,6]HH)2(H)	C[5](N[5,5]In[5,5]C[5]H)(C[5,6]N[5,6]C[6])(H)2	H(N[5,5]In[5,5]C[5]2)	N[5,5](In[5,5]N[5,6]2Br3)(C[5]C[5,6]HH)2(H){4|C<3>}	C[5](N[5,5]In[5,5]C[5]H)(C[5,6]N[5,6]C[6])(H)2{3|Br<1>,1|N<3>,3|C<3>,3|H<1>}	H(N[5,5]In[5,5]C[5]2)	109.2250	0.000	1	109.2250	0.000	1	109.2250	0.000	1	109.0067	0.996	4	108.7823	3.928	71	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,5]	C[5]	H	6:4:4:1:	4:4:1:1:	4:	Ga[3x5,6,6]-6:C[5]-4:C[5]-4:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:	N[5,5](Ga[3x5,6,6]N[5,5]N[5,6]2O[6]2)(C[5]C[5]HH)2(H)	C[5](N[5,5]Ga[3x5,6,6]C[5]H)(C[5]N[5,5]HH)(H)2	H(N[5,5]Ga[3x5,6,6]C[5]2)	N[5,5](Ga[3x5,6,6]N[5,5]N[5,6]2O[6]2)(C[5]C[5]HH)2(H){2|C<4>,4|C<3>,5|H<1>}	C[5](N[5,5]Ga[3x5,6,6]C[5]H)(C[5]N[5,5]HH)(H)2{2|C<4>,2|N<3>,2|O<2>,3|H<1>}	H(N[5,5]Ga[3x5,6,6]C[5]2)	110.0120	0.000	1	110.0120	0.000	1	110.0305	0.001	2	107.9929	3.737	21	108.7823	3.928	71	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,5]	C[5]	H	6:4:4:1:	4:4:1:1:	4:	Ga[3x5,6,6]-6:C[5]-4:C[5]-4:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:	N[5,5](Ga[3x5,6,6]N[5,5]N[5,6]2O[6]2)(C[5]C[5]HH)2(H)	C[5](N[5,5]Ga[3x5,6,6]C[5]H)(C[5]N[5,6]HH)(H)2	H(N[5,5]Ga[3x5,6,6]C[5]2)	N[5,5](Ga[3x5,6,6]N[5,5]N[5,6]2O[6]2)(C[5]C[5]HH)2(H){2|C<4>,4|C<3>,5|H<1>}	C[5](N[5,5]Ga[3x5,6,6]C[5]H)(C[5]N[5,6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|N<4>,2|H<1>,2|O<2>}	H(N[5,5]Ga[3x5,6,6]C[5]2)	110.0490	0.000	1	110.0490	0.000	1	110.0305	0.001	2	107.9929	3.737	21	108.7823	3.928	71	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,5]	C[5]	H	6:4:4:1:	4:4:1:1:	4:	Ga[3x5]-6:C[5]-4:C[5]-4:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:	N[5,5](Ga[3x5]N[5,5]N[5,6]2Cl2)(C[5]C[5,6]HH)(C[5]C[5]HH)(H)	C[5](N[5,5]Ga[3x5]C[5]H)(C[5]N[5,5]HH)(H)2	H(N[5,5]Ga[3x5]C[5]2)	N[5,5](Ga[3x5]N[5,5]N[5,6]2Cl2)(C[5]C[5,6]HH)(C[5]C[5]HH)(H){1|C<4>,3|H<1>,4|C<3>}	C[5](N[5,5]Ga[3x5]C[5]H)(C[5]N[5,5]HH)(H)2{2|Cl<1>,1|C<3>,1|C<4>,2|N<3>,3|H<1>}	H(N[5,5]Ga[3x5]C[5]2)	109.6760	0.174	2	109.6760	0.030	2	109.6760	0.030	2	107.9929	3.737	21	108.7823	3.928	71	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,5]	C[5]	H	6:4:4:1:	4:4:1:1:	4:	Ga[4x5,6,6]-6:C[5]-4:C[5]-4:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:	N[5,5](Ga[4x5,6,6]N[5,5,6]2N[5,5]O[6]2)(C[5]C[5]HH)2(H)	C[5](N[5,5]Ga[4x5,6,6]C[5]H)(C[5]N[5,5,6]HH)(H)2	H(N[5,5]Ga[4x5,6,6]C[5]2)	N[5,5](Ga[4x5,6,6]N[5,5,6]2N[5,5]O[6]2)(C[5]C[5]HH)2(H){2|C<3>,5|H<1>,6|C<4>}	C[5](N[5,5]Ga[4x5,6,6]C[5]H)(C[5]N[5,5,6]HH)(H)2{2|H<1>,2|N<4>,2|O<2>,3|C<4>}	H(N[5,5]Ga[4x5,6,6]C[5]2)	106.4167	3.821	4	106.4167	14.597	4	106.4167	14.597	4	107.9929	3.737	21	108.7823	3.928	71	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,5]	C[5]	H	6:4:4:1:	4:4:1:1:	4:	Ga[4x5]-6:C[5]-4:C[5]-4:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:	N[5,5](Ga[4x5]N[5,5]3Cl2)(C[5]C[5]HH)2(H)	C[5](N[5,5]Ga[4x5]C[5]H)(C[5]N[5,5]HH)(H)2	H(N[5,5]Ga[4x5]C[5]2)	N[5,5](Ga[4x5]N[5,5]3Cl2)(C[5]C[5]HH)2(H){4|C<4>,7|H<1>}	C[5](N[5,5]Ga[4x5]C[5]H)(C[5]N[5,5]HH)(H)2{2|Cl<1>,2|C<4>,2|N<4>,3|H<1>}	H(N[5,5]Ga[4x5]C[5]2)	108.3097	0.655	6	108.3097	0.429	6	108.3097	0.429	6	107.9929	3.737	21	108.7823	3.928	71	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,5]	C[5]	H	6:4:4:1:	4:4:1:1:	4:	Ga[5x5]-6:C[5]-4:C[5]-4:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:	N[5,5](Ga[5x5]N[5,5,6]2N[5,5]O[5]2)(C[5]C[5,6]HH)(C[5]C[5]HH)(H)	C[5](N[5,5]Ga[5x5]C[5]H)(C[5]N[5,5]HH)(H)2	H(N[5,5]Ga[5x5]C[5]2)	N[5,5](Ga[5x5]N[5,5,6]2N[5,5]O[5]2)(C[5]C[5,6]HH)(C[5]C[5]HH)(H){1|C<4>,2|H<1>,6|C<3>}	C[5](N[5,5]Ga[5x5]C[5]H)(C[5]N[5,5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>,2|N<3>,2|O<2>}	H(N[5,5]Ga[5x5]C[5]2)	107.6630	0.000	1	107.6630	0.000	1	107.6630	0.000	1	107.9929	3.737	21	108.7823	3.928	71	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,5]	C[5]	H	6:4:4:1:	4:4:1:1:	4:	In[3x5,6,6]-6:C[5]-4:C[5]-4:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:	N[5,5](In[3x5,6,6]N[5,5]N[5,6]2O[6]2)(C[5]C[5]HH)2(H)	C[5](N[5,5]In[3x5,6,6]C[5]H)(C[5]N[5,5]HH)(H)2	H(N[5,5]In[3x5,6,6]C[5]2)	N[5,5](In[3x5,6,6]N[5,5]N[5,6]2O[6]2)(C[5]C[5]HH)2(H){2|C<4>,4|C<3>,5|H<1>}	C[5](N[5,5]In[3x5,6,6]C[5]H)(C[5]N[5,5]HH)(H)2{2|C<4>,2|N<3>,2|O<2>,3|H<1>}	H(N[5,5]In[3x5,6,6]C[5]2)	107.9900	0.612	2	107.9900	0.375	2	107.9627	0.269	4	107.9929	3.737	21	108.7823	3.928	71	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,5]	C[5]	H	6:4:4:1:	4:4:1:1:	4:	In[3x5,6,6]-6:C[5]-4:C[5]-4:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:	N[5,5](In[3x5,6,6]N[5,5]N[5,6]2O[6]2)(C[5]C[5]HH)2(H)	C[5](N[5,5]In[3x5,6,6]C[5]H)(C[5]N[5,6]HH)(H)2	H(N[5,5]In[3x5,6,6]C[5]2)	N[5,5](In[3x5,6,6]N[5,5]N[5,6]2O[6]2)(C[5]C[5]HH)2(H){2|C<4>,4|C<3>,5|H<1>}	C[5](N[5,5]In[3x5,6,6]C[5]H)(C[5]N[5,6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|N<4>,2|H<1>,2|O<2>}	H(N[5,5]In[3x5,6,6]C[5]2)	107.9355	0.654	2	107.9355	0.428	2	107.9627	0.269	4	107.9929	3.737	21	108.7823	3.928	71	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,5]	C[5]	H	6:4:4:1:	4:4:1:1:	4:	In[3x5]-6:C[5]-4:C[5]-4:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:	N[5,5](In[3x5]N[5,5]N[5]2Te2)(C[5]C[5]HH)2(H)	C[5](N[5,5]In[3x5]C[5]H)(C[5]N[5,5]HH)(H)2	H(N[5,5]In[3x5]C[5]2)	N[5,5](In[3x5]N[5,5]N[5]2Te2)(C[5]C[5]HH)2(H){2|C<4>,9|H<1>}	C[5](N[5,5]In[3x5]C[5]H)(C[5]N[5,5]HH)(H)2{2|Te<2>,2|C<4>,2|N<4>,3|H<1>}	H(N[5,5]In[3x5]C[5]2)	106.6870	0.000	1	106.6870	0.000	1	106.6990	0.000	2	107.9929	3.737	21	108.7823	3.928	71	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,5]	C[5]	H	6:4:4:1:	4:4:1:1:	4:	In[3x5]-6:C[5]-4:C[5]-4:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	N[5,5]-4:	N[5,5](In[3x5]N[5,5]N[5]2Te2)(C[5]C[5]HH)2(H)	C[5](N[5,5]In[3x5]C[5]H)(C[5]N[5]HH)(H)2	H(N[5,5]In[3x5]C[5]2)	N[5,5](In[3x5]N[5,5]N[5]2Te2)(C[5]C[5]HH)2(H){2|C<4>,9|H<1>}	C[5](N[5,5]In[3x5]C[5]H)(C[5]N[5]HH)(H)2{2|Te<2>,1|C<4>,2|N<4>,4|H<1>}	H(N[5,5]In[3x5]C[5]2)	106.7110	0.000	1	106.7110	0.000	1	106.6990	0.000	2	107.9929	3.737	21	108.7823	3.928	71	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,6,6]	C[5,3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[5,3x6]-4:C[6]-4:H-1:	N[5,6,6]-4:C[3x6]-4:C[5,6]-4:H-1:	N[5,6,6]-4:	N[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]C[6,6])(C[5,3x6]C[3x6]C[5,6]H)(C[6]C[6]CH)(H)	C[5,3x6](N[5,6,6]C[5,5,6,6]C[6]H)(C[3x6]C[5,6,6]C[6]H)(C[5,6]C[5,5,6]HH)(H)	H(N[5,6,6]C[5,5,6,6]C[5,3x6]C[6])	N[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]C[6,6])(C[5,3x6]C[3x6]C[5,6]H)(C[6]C[6]CH)(H){1|C<3>,5|C<4>,7|H<1>}	C[5,3x6](N[5,6,6]C[5,5,6,6]C[6]H)(C[3x6]C[5,6,6]C[6]H)(C[5,6]C[5,5,6]HH)(H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	H(N[5,6,6]C[5,5,6,6]C[5,3x6]C[6])	104.9937	1.782	3	104.9937	3.175	3	104.9937	3.175	3	104.9937	3.175	3	104.9937	3.175	3	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,6,6]	C[5,5,4x6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,4x6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,5,6,6]-4:C[5,3x6]-4:N[5,6,6]-4:C[6]-4:	N[5,6,6]-4:	N[5,6,6](C[5,5,4x6]C[5,5,6,6]C[5,3x6]C[6])(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(H)	C[5,5,4x6](C[5,5,6,6]C[5,5,6]C[6]2)(C[5,3x6]C[5,6]C[6,6]H)(N[5,6,6]C[5,6]C[6]H)(C[6]C[6]HH)	H(N[5,6,6]C[5,5,4x6]C[5,6]C[6])	N[5,6,6](C[5,5,4x6]C[5,5,6,6]C[5,3x6]C[6])(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(H){5|C<4>,6|H<1>}	C[5,5,4x6](C[5,5,6,6]C[5,5,6]C[6]2)(C[5,3x6]C[5,6]C[6,6]H)(N[5,6,6]C[5,6]C[6]H)(C[6]C[6]HH){12|H<1>,1|O<2>,4|C<4>}	H(N[5,6,6]C[5,5,4x6]C[5,6]C[6])	108.8030	0.000	1	108.8030	0.000	1	108.8030	0.000	1	108.8030	0.000	1	108.8030	0.000	1	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,6,6]	C[5,5,6,6]	H	4:4:4:1:	4:3:4:4:	4:	C[5,5,6,6]-4:C[5,3x6]-4:C[6]-4:H-1:	N[5,6,6]-4:C[5,6,6]-3:C[6,6]-4:C[5,5,6]-4:	N[5,6,6]-4:	N[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]C[6,6])(C[5,3x6]C[3x6]C[5,6]H)(C[6]C[6]CH)(H)	C[5,5,6,6](N[5,6,6]C[5,3x6]C[6]H)(C[5,6,6]C[5,6,6]C[6])(C[6,6]C[6,6]C[6]H)(C[5,5,6]C[5,6]2H)	H(N[5,6,6]C[5,5,6,6]C[5,3x6]C[6])	N[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]C[6,6])(C[5,3x6]C[3x6]C[5,6]H)(C[6]C[6]CH)(H){1|C<3>,5|C<4>,7|H<1>}	C[5,5,6,6](N[5,6,6]C[5,3x6]C[6]H)(C[5,6,6]C[5,6,6]C[6])(C[6,6]C[6,6]C[6]H)(C[5,5,6]C[5,6]2H){1|C<3>,1|O<2>,6|C<4>,9|H<1>}	H(N[5,6,6]C[5,5,6,6]C[5,3x6]C[6])	111.1635	2.628	2	112.2130	6.758	3	112.2130	6.758	3	112.2130	6.758	3	112.2130	6.758	3	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,6,6]	C[5,5,6,6]	H	4:4:4:1:	4:3:4:4:	4:	C[5,5,6,6]-4:C[5,3x6]-4:C[6]-4:H-1:	N[5,6,6]-4:C[5,6,6]-3:C[6,6]-4:C[5,5,6]-4:	N[5,6,6]-4:	N[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]C[6,6])(C[5,3x6]C[3x6]C[5,6]H)(C[6]C[6]CH)(H)	C[5,5,6,6](N[5,6,6]C[5,3x6]C[6]H)(C[5,6,6]C[5,6,6]C[6])(C[6,6]C[6,6]C[6]H)(C[5,5,6]C[5,6]2H)	H(N[5,6,6]C[5,5,6,6]C[5,3x6]C[6])	N[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]C[6,6])(C[5,3x6]C[3x6]C[5,6]H)(C[6]C[6]CH)(H){1|C<3>,5|C<4>,7|H<1>}	C[5,5,6,6](N[5,6,6]C[5,3x6]C[6]H)(C[5,6,6]C[5,6,6]C[6])(C[6,6]C[6,6]C[6]H)(C[5,5,6]C[5,6]2H){1|O<2>,2|C<3>,5|C<4>,9|H<1>}	H(N[5,6,6]C[5,5,6,6]C[5,3x6]C[6])	114.3120	0.000	1	112.2130	6.758	3	112.2130	6.758	3	112.2130	6.758	3	112.2130	6.758	3	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,6,6]	C[5,6,6]	H	4:3:4:1:	4:4:3:4:	4:	C[5,6,6]-4:Ge[5,6]-3:C[6]-4:H-1:	N[5,6,6]-4:C[6,6]-4:C[5,6]-3:C-4:	N[5,6,6]-4:	N[5,6,6](C[5,6,6]C[5,6]C[6,6]C)(Ge[5,6]N[5,6]N[6,6])(C[6]C[6]HH)(H)	C[5,6,6](N[5,6,6]Ge[5,6]C[6]H)(C[6,6]C[6,6]N[6]C)(C[5,6]N[5,6]C[6])(CH3)	H(N[5,6,6]C[5,6,6]Ge[5,6]C[6])	N[5,6,6](C[5,6,6]C[5,6]C[6,6]C)(Ge[5,6]N[5,6]N[6,6])(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5,6,6](N[5,6,6]Ge[5,6]C[6]H)(C[6,6]C[6,6]N[6]C)(C[5,6]N[5,6]C[6])(CH3){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(N[5,6,6]C[5,6,6]Ge[5,6]C[6])	103.7880	0.000	1	103.7880	0.000	1	103.7880	0.000	1	103.7880	0.000	1	107.0305	21.028	2	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,6,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,6]-4:C[6,6]-4:H-1:	N[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	N[5,6,6]-4:	N[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,6]C[6,6a]C[5,6]H)(C[6,6]C[6,6]HH)(H)	C[5,6,6](N[5,6,6]C[5,6]C[6,6]H)(C[5,6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	H(N[5,6,6]C[5,6,6]C[5,6]C[6,6])	N[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,6]C[6,6a]C[5,6]H)(C[6,6]C[6,6]HH)(H){1|C<3>,1|N<2>,3|C<4>,5|H<1>}	C[5,6,6](N[5,6,6]C[5,6]C[6,6]H)(C[5,6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,8|H<1>}	H(N[5,6,6]C[5,6,6]C[5,6]C[6,6])	110.2730	0.000	1	110.2730	0.000	1	110.2730	0.000	1	110.2730	0.000	1	107.0305	21.028	2	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,4x6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,5,6]-4:N[5,6,6]-4:H-1:H-1:	N[5,6,6]-4:	N[5,6,6](C[5,5,4x6]C[5,5,6,6]C[5,3x6]C[6])(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6,6]C[5,6]H)(N[5,6,6]C[5,5,4x6]C[6]H)(H)2	H(N[5,6,6]C[5,5,4x6]C[5,6]C[6])	N[5,6,6](C[5,5,4x6]C[5,5,6,6]C[5,3x6]C[6])(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(H){5|C<4>,6|H<1>}	C[5,6](C[5,5,6]C[5,5,6,6]C[5,6]H)(N[5,6,6]C[5,5,4x6]C[6]H)(H)2{4|H<1>,5|C<4>}	H(N[5,6,6]C[5,5,4x6]C[5,6]C[6])	108.8750	0.000	1	108.8750	0.000	1	108.8750	0.000	1	108.8750	0.000	1	109.6050	1.066	2	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,6,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5,6]-4:C[6,6]-4:H-1:	N[5,6,6]-4:C[5,6]-4:C[6,6a]-3:H-1:	N[5,6,6]-4:	N[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,6]C[6,6a]C[5,6]H)(C[6,6]C[6,6]HH)(H)	C[5,6](N[5,6,6]C[5,6,6]C[6,6]H)(C[5,6]C[5,6,6]C[6]H)(C[6,6a]C[6,6a]N[6a])(H)	H(N[5,6,6]C[5,6,6]C[5,6]C[6,6])	N[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,6]C[6,6a]C[5,6]H)(C[6,6]C[6,6]HH)(H){1|C<3>,1|N<2>,3|C<4>,5|H<1>}	C[5,6](N[5,6,6]C[5,6,6]C[6,6]H)(C[5,6]C[5,6,6]C[6]H)(C[6,6a]C[6,6a]N[6a])(H){2|C<3>,4|C<4>,6|H<1>}	H(N[5,6,6]C[5,6,6]C[5,6]C[6,6])	110.3350	0.000	1	110.3350	0.000	1	110.3350	0.000	1	110.3350	0.000	1	109.6050	1.066	2	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,6,6]	C[5]	H	3:4:4:1:	4:4:3:1:	4:	N[5,6,6]-3:C[5]-4:C[3x6]-4:H-1:	N[5,6,6]-4:C[5,5,6]-4:C[6a]-3:H-1:	N[5,6,6]-4:	N[5,6,6](N[5,6,6]C[5,5,6]C[3x6])(C[5]C[5,5,6]C[6a]H)(C[3x6]C[6,6]2H)(H)	C[5](N[5,6,6]N[5,6,6]C[3x6]H)(C[5,5,6]C[5,5,6]2H)(C[6a]C[6a]2)(H)	H(N[5,6,6]N[5,6,6]C[3x6]C[5])	N[5,6,6](N[5,6,6]C[5,5,6]C[3x6])(C[5]C[5,5,6]C[6a]H)(C[3x6]C[6,6]2H)(H){2|C<3>,4|C<4>,7|H<1>}	C[5](N[5,6,6]N[5,6,6]C[3x6]H)(C[5,5,6]C[5,5,6]2H)(C[6a]C[6a]2)(H){2|C<3>,5|H<1>,6|C<4>}	H(N[5,6,6]N[5,6,6]C[3x6]C[5])	104.6640	0.000	1	104.6640	0.000	1	104.6640	0.000	1	104.6640	0.000	1	106.0935	4.087	2	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,6,6]	C[5]	H	6:4:4:1:	4:3:1:1:	4:	Ga[3x5,3x6]-6:C[3x6]-4:C[5]-4:H-1:	N[5,6,6]-4:C[5]-3:H-1:H-1:	N[5,6,6]-4:	N[5,6,6](Ga[3x5,3x6]N[5,6,6]2O[5]3)(C[3x6]C[6,6]2H)(C[5]C[5]HH)(H)	C[5](N[5,6,6]Ga[3x5,3x6]C[3x6]H)(C[5]O[5]O)(H)2	H(N[5,6,6]Ga[3x5,3x6]C[3x6]C[5])	N[5,6,6](Ga[3x5,3x6]N[5,6,6]2O[5]3)(C[3x6]C[6,6]2H)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,4|C<4>,6|H<1>}	C[5](N[5,6,6]Ga[3x5,3x6]C[3x6]H)(C[5]O[5]O)(H)2{1|H<1>,2|C<4>,2|N<4>,2|O<2>}	H(N[5,6,6]Ga[3x5,3x6]C[3x6]C[5])	107.5230	0.000	1	107.5230	0.000	1	107.5230	0.000	1	107.5230	0.000	1	106.0935	4.087	2	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,6]	C[5,3x6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,3x6]-4:C[5]-4:C[6]-4:H-1:	C[3x6]-4:N[5,6]-4:C[5,6]-3:C[6]-4:	N[5,6]-4:	N[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,3x6](C[3x6]C[6,6]C[6]H)(N[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)	H(N[5,6]C[5,3x6]C[5]C[6])	N[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,7|H<1>}	C[5,3x6](C[3x6]C[6,6]C[6]H)(N[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(C[6]C[6]HH){10|H<1>,1|C<3>,1|O<2>,3|C<4>}	H(N[5,6]C[5,3x6]C[5]C[6])	116.3540	0.000	1	116.3540	0.000	1	116.3540	0.000	1	116.3540	0.000	1	112.6655	27.210	2	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,6]	C[5,3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,3x6]-4:C[5]-4:C[6]-4:H-1:	C[5,5,6,6]-4:N[5,6]-4:C[3x6]-4:H-1:	N[5,6]-4:	N[5,6](C[5,3x6]C[5,5,6,6]C[3x6]H)(C[5]C[5,6]HH)(C[6]C[6]HH)(H)	C[5,3x6](C[5,5,6,6]C[5,6a]C[5,6]2)(N[5,6]C[5]C[6]H)(C[3x6]C[6]3)(H)	H(N[5,6]C[5,3x6]C[5]C[6])	N[5,6](C[5,3x6]C[5,5,6,6]C[3x6]H)(C[5]C[5,6]HH)(C[6]C[6]HH)(H){2|C<3>,3|H<1>,4|C<4>}	C[5,3x6](C[5,5,6,6]C[5,6a]C[5,6]2)(N[5,6]C[5]C[6]H)(C[3x6]C[6]3)(H){11|H<1>,1|N<3>,2|C<4>,4|C<3>}	H(N[5,6]C[5,3x6]C[5]C[6])	108.9770	0.000	1	108.9770	0.000	1	108.9770	0.000	1	108.9770	0.000	1	112.6655	27.210	2	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,6]	C[5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:N[5,6]-4:H-1:	N[5,6]-4:	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]HH)(N[5,6]C[5,6]HH)(H)	H(N[5,6]C[5,5,6]C[5,6]H)	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|N<3>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]HH)(N[5,6]C[5,6]HH)(H){4|H<1>}	H(N[5,6]C[5,5,6]C[5,6]H)	111.7925	2.035	4	111.7925	4.140	4	111.7925	4.140	4	111.7925	4.140	4	109.9690	19.731	5	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,6]	C[5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:N[5,6]-4:H-1:	N[5,6]-4:	N[5,6](C[5,5,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,5,6,6]HH)(CH3)(H)	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5,6]H)(C[5,6,6]C[5,3x6]C[6]H)(N[5,6]C[5,6]CH)(H)	H(N[5,6]C[5,5,6]C[5,6]C)	N[5,6](C[5,5,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,5,6,6]HH)(CH3)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5,6]H)(C[5,6,6]C[5,3x6]C[6]H)(N[5,6]C[5,6]CH)(H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	H(N[5,6]C[5,5,6]C[5,6]C)	102.6750	0.000	1	102.6750	0.000	1	102.6750	0.000	1	102.6750	0.000	1	109.9690	19.731	5	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,6]	C[5,6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:C[3x6]-4:N[5,6]-3:C-4:	N[5,6]-4:	N[5,6](C[5,6,6]C[3x6]N[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6,6](N[5,6]C[5]C[6]H)(C[3x6]N[6,6]2C)(N[5,6]C[5]C[6])(CH3)	H(N[5,6]C[5,6,6]C[5]C[6])	N[5,6](C[5,6,6]C[3x6]N[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|N<3>,1|N<4>,3|C<4>,3|H<1>}	C[5,6,6](N[5,6]C[5]C[6]H)(C[3x6]N[6,6]2C)(N[5,6]C[5]C[6])(CH3){5|C<4>,8|H<1>}	H(N[5,6]C[5,6,6]C[5]C[6])	111.9830	0.000	1	111.9830	0.000	1	111.9830	0.000	1	111.9830	0.000	1	108.1742	5.320	57	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5,6]-4:N[5,6]-4:C[6,6]-4:H-1:	N[5,6]-4:	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5,6]C[5]C[6]H)(C[6,6]C[6,6]HH)(H)	H(N[5,6]C[5,6,6]C[5]C[6])	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5,6]C[5]C[6]H)(C[6,6]C[6,6]HH)(H){1|C<4>,1|N<3>,3|C<3>,8|H<1>}	H(N[5,6]C[5,6,6]C[5]C[6])	107.9683	2.202	53	107.9683	4.847	53	107.9683	4.847	53	108.1062	5.148	56	108.1742	5.320	57	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6,6]-4:N[5,6]-4:C[6]-4:H-1:	N[5,6]-4:	N[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H)	C[5,6,6](C[5,6,6]C[6,6a]C[5]C[6])(N[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	H(N[5,6]C[5,6,6]C[5]C[6])	N[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5,6,6](C[5,6,6]C[6,6a]C[5]C[6])(N[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){2|O<2>,3|C<3>,7|H<1>}	H(N[5,6]C[5,6,6]C[5]C[6])	109.1960	1.165	2	110.5433	6.125	3	110.5433	6.125	3	108.1062	5.148	56	108.1742	5.320	57	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,6]	C[5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6,6]-4:N[5,6]-4:C[6]-4:H-1:	N[5,6]-4:	N[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H)	C[5,6,6](C[5,6,6]C[6,6a]C[5]C[6])(N[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	H(N[5,6]C[5,6,6]C[5]C[6])	N[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[6,6a]C[5]C[6])(N[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){10|H<1>,1|C<4>,2|C<3>}	H(N[5,6]C[5,6,6]C[5]C[6])	113.2380	0.000	1	110.5433	6.125	3	110.5433	6.125	3	108.1062	5.148	56	108.1742	5.320	57	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,6]	C[5,6]	H	3:4:4:1:	4:4:4:1:	4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[5,6](N[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HH)(C[6]C[6]CO)(H)	H(N[5,6]C[5,6a]C[5,6]C[6])	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[5,6](N[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HH)(C[6]C[6]CO)(H){1|C<4>,2|C<3>,4|H<1>}	H(N[5,6]C[5,6a]C[5,6]C[6])	106.0700	0.000	1	106.0700	0.000	1	106.0700	0.000	1	106.0700	0.000	1	109.3773	8.501	66	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,6]	C[5,6]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:N[5,6]-4:H-1:H-1:	N[5,6]-4:	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(N[5,6]C[5,5,6]HH)(H)2	H(N[5,6]C[5,5,6]C[5,6]H)	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H)2{1|N<3>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(N[5,6]C[5,5,6]HH)(H)2{1|C<4>,4|H<1>}	H(N[5,6]C[5,5,6]C[5,6]H)	111.6660	3.595	4	111.6660	12.923	4	111.6660	12.923	4	111.6660	12.923	4	109.3773	8.501	66	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,6]	C[5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	N[5,6]-4:C[5]-4:C[6]-3:H-1:	N[5,6]-4:	N[5,6](C[5,6]C[5]C[6]H)2(H)2	C[5,6](N[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]H)(H)	H(N[5,6]C[5,6]2H)	N[5,6](C[5,6]C[5]C[6]H)2(H)2{1|C<3>,7|H<1>}	C[5,6](N[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,3|H<1>}	H(N[5,6]C[5,6]2H)	111.3075	0.025	2	111.3075	0.001	2	111.3075	0.001	2	111.3075	0.001	2	109.3773	8.501	66	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:	N[5,6](C[5,6]C[5]C[6]H)2(H)2	C[5,6](N[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(N[5,6]C[5,6]2H)	N[5,6](C[5,6]C[5]C[6]H)2(H)2{1|C<3>,7|H<1>}	C[5,6](N[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(H){2|C<3>,3|H<1>}	H(N[5,6]C[5,6]2H)	111.3210	0.028	2	108.8055	24.536	4	110.4858	21.716	6	110.4858	21.716	6	109.3773	8.501	66	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:	N[5,6](C[5,6]C[5]C[6]H)2(H)2	C[5,6](N[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(N[5,6]C[5,6]2H)	N[5,6](C[5,6]C[5]C[6]H)2(H)2{1|C<4>,1|O<2>,7|H<1>}	C[5,6](N[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,4|H<1>}	H(N[5,6]C[5,6]2H)	106.2900	6.949	2	108.8055	24.536	4	110.4858	21.716	6	110.4858	21.716	6	109.3773	8.501	66	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,6]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:	N[5,6](C[5,6]C[5]C[6]H)2(H)2	C[5,6](N[5,6]C[5,6]HH)(C[5]C[5]HO)(C[6]C[6]HH)(H)	H(N[5,6]C[5,6]2H)	N[5,6](C[5,6]C[5]C[6]H)2(H)2{1|C<4>,1|O<2>,7|H<1>}	C[5,6](N[5,6]C[5,6]HH)(C[5]C[5]HO)(C[6]C[6]HH)(H){1|C<4>,5|H<1>}	H(N[5,6]C[5,6]2H)	113.8465	1.044	2	113.8465	1.091	2	110.4858	21.716	6	110.4858	21.716	6	109.3773	8.501	66	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,6]	C[5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	N[5,6]-4:C[5]-4:C[6]-4:C-4:	N[5,6]-4:	N[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6](N[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CCHH)	H(N[5,6]C[5,6]C[6]O[5])	N[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,7|H<1>}	C[5,6](N[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CCHH){1|C<3>,1|C<4>,5|H<1>}	H(N[5,6]C[5,6]C[6]O[5])	108.1295	2.156	2	108.1295	4.648	2	108.1295	4.648	2	108.1295	4.648	2	109.3773	8.501	66	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,6]	C[5,6]	H	4:4:4:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6,6a]-3:N[5,6]-4:C[5]-4:H-1:	N[5,6]-4:	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(H)	H(N[5,6]C[5,6]C[5]C[6])	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(H){2|C<4>,4|C<3>,6|H<1>}	H(N[5,6]C[5,6]C[5]C[6])	107.4180	0.000	1	107.4180	0.000	1	107.4180	0.000	1	107.4180	0.000	1	109.3773	8.501	66	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,6]	C[5,6]	H	4:4:4:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:N[5,6]-3:H-1:H-1:	N[5,6]-4:	N[5,6](C[5,6]N[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](N[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(H)2	H(N[5,6]C[5,6]C[5]C[6])	N[5,6](C[5,6]N[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,4|H<1>}	C[5,6](N[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(H)2{1|C<4>,8|H<1>}	H(N[5,6]C[5,6]C[5]C[6])	111.1443	0.332	6	111.1443	0.110	6	111.1443	0.110	6	111.1443	0.110	6	109.3773	8.501	66	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,6]	C[5,6]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,5,6,6]-4:N[5,6]-4:H-1:H-1:	N[5,6]-4:	N[5,6](C[5,5,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,5,6,6]HH)(CH3)(H)	C[5,6](C[5,5,6,6]C[5,3x6]C[5,5,6]C)(N[5,6]C[5,5,6]CH)(H)2	H(N[5,6]C[5,5,6]C[5,6]C)	N[5,6](C[5,5,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,5,6,6]HH)(CH3)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,5,6,6]C[5,3x6]C[5,5,6]C)(N[5,6]C[5,5,6]CH)(H)2{3|C<4>,3|H<1>}	H(N[5,6]C[5,5,6]C[5,6]C)	108.8020	0.000	1	108.8020	0.000	1	108.8020	0.000	1	108.8020	0.000	1	109.3773	8.501	66	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,6]	C[5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5,6]-4:C-4:H-1:	N[5,6]-4:C[5]-4:C[6]-3:H-1:	N[5,6]-4:	N[5,6](C[5,6]C[5]C[6]H)2(CH3)(H)	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]C)(H)	H(N[5,6]C[5,6]2C)	N[5,6](C[5,6]C[5]C[6]H)2(CH3)(H){2|C<3>,6|H<1>}	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|H<1>}	H(N[5,6]C[5,6]2C)	110.3870	0.000	1	110.3870	0.000	1	110.3870	0.000	1	110.3870	0.000	1	109.3773	8.501	66	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C-4:H-1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:	N[5,6](C[5,6]C[5]C[6]H)2(CH3)(H)	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]CH)(H)	H(N[5,6]C[5,6]2C)	N[5,6](C[5,6]C[5]C[6]H)2(CH3)(H){1|C<3>,1|C<4>,1|I<1>,6|H<1>}	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<2>,4|H<1>}	H(N[5,6]C[5,6]2C)	110.0680	0.000	1	108.6656	3.157	8	109.4887	8.284	27	109.0166	7.603	39	109.3773	8.501	66	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C-4:H-1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:	N[5,6](C[5,6]C[5]C[6]H)2(CH3)(H)	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]CH)(H)	H(N[5,6]C[5,6]2C)	N[5,6](C[5,6]C[5]C[6]H)2(CH3)(H){1|C<3>,1|C<4>,7|H<1>}	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,4|H<1>}	H(N[5,6]C[5,6]2C)	104.4550	0.000	1	108.6656	3.157	8	109.4887	8.284	27	109.0166	7.603	39	109.3773	8.501	66	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C-4:H-1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:	N[5,6](C[5,6]C[5]C[6]H)2(CH3)(H)	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]CH)(H)	H(N[5,6]C[5,6]2C)	N[5,6](C[5,6]C[5]C[6]H)2(CH3)(H){1|C<3>,1|C<4>,7|H<1>}	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,4|H<1>}	H(N[5,6]C[5,6]2C)	108.8520	0.894	2	108.6656	3.157	8	109.4887	8.284	27	109.0166	7.603	39	109.3773	8.501	66	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C-4:H-1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:	N[5,6](C[5,6]C[5]C[6]H)2(CH3)(H)	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]CH)(H)	H(N[5,6]C[5,6]2C)	N[5,6](C[5,6]C[5]C[6]H)2(CH3)(H){1|C<3>,1|C<4>,7|H<1>}	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<2>,4|H<1>}	H(N[5,6]C[5,6]2C)	109.2745	0.127	4	108.6656	3.157	8	109.4887	8.284	27	109.0166	7.603	39	109.3773	8.501	66	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C-4:H-1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:	N[5,6](C[5,6]C[5]C[6]H)2(CH3)(H)	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(N[5,6]C[5,6]2C)	N[5,6](C[5,6]C[5]C[6]H)2(CH3)(H){1|C<3>,1|C<4>,7|H<1>}	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,4|H<1>}	H(N[5,6]C[5,6]2C)	109.8080	0.000	1	109.2299	9.321	15	109.4887	8.284	27	109.0166	7.603	39	109.3773	8.501	66	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C-4:H-1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:	N[5,6](C[5,6]C[5]C[6]H)2(CH3)(H)	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(N[5,6]C[5,6]2C)	N[5,6](C[5,6]C[5]C[6]H)2(CH3)(H){1|C<3>,1|C<4>,7|H<1>}	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,4|H<1>}	H(N[5,6]C[5,6]2C)	108.8145	0.903	2	109.2299	9.321	15	109.4887	8.284	27	109.0166	7.603	39	109.3773	8.501	66	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C-4:H-1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:	N[5,6](C[5,6]C[5]C[6]H)2(CH3)(H)	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(N[5,6]C[5,6]2C)	N[5,6](C[5,6]C[5]C[6]H)2(CH3)(H){1|C<3>,1|C<4>,7|H<1>}	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,4|H<1>}	H(N[5,6]C[5,6]2C)	108.8710	0.817	4	109.2299	9.321	15	109.4887	8.284	27	109.0166	7.603	39	109.3773	8.501	66	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C-4:H-1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:	N[5,6](C[5,6]C[5]C[6]H)2(CH3)(H)	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(N[5,6]C[5,6]2C)	N[5,6](C[5,6]C[5]C[6]H)2(CH3)(H){1|C<4>,1|O<2>,7|H<1>}	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,2|O<2>,3|H<1>}	H(N[5,6]C[5,6]2C)	105.6297	3.152	3	109.2299	9.321	15	109.4887	8.284	27	109.0166	7.603	39	109.3773	8.501	66	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C-4:H-1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:	N[5,6](C[5,6]C[5]C[6]H)2(CH3)(H)	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(N[5,6]C[5,6]2C)	N[5,6](C[5,6]C[5]C[6]H)2(CH3)(H){1|C<4>,8|H<1>}	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|N<4>,4|H<1>}	H(N[5,6]C[5,6]2C)	110.2990	1.126	2	109.2299	9.321	15	109.4887	8.284	27	109.0166	7.603	39	109.3773	8.501	66	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C-4:H-1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:	N[5,6](C[5,6]C[5]C[6]H)2(CH3)(H)	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(N[5,6]C[5,6]2C)	N[5,6](C[5,6]C[5]C[6]H)2(CH3)(H){1|C<4>,8|H<1>}	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]HH)(H){2|C<4>,4|H<1>}	H(N[5,6]C[5,6]2C)	111.5100	4.500	2	109.2299	9.321	15	109.4887	8.284	27	109.0166	7.603	39	109.3773	8.501	66	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C-4:H-1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:	N[5,6](C[5,6]C[5]C[6]H)2(CH3)(H)	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(N[5,6]C[5,6]2C)	N[5,6](C[5,6]C[5]C[6]H)2(CH3)(H){2|C<3>,6|H<1>}	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|H<1>}	H(N[5,6]C[5,6]2C)	115.0210	0.000	1	109.2299	9.321	15	109.4887	8.284	27	109.0166	7.603	39	109.3773	8.501	66	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C-4:H-1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:	N[5,6](C[5,6]C[5]C[6]H)2(CH3)(H)	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]HI)(H)	H(N[5,6]C[5,6]2C)	N[5,6](C[5,6]C[5]C[6]H)2(CH3)(H){1|C<3>,1|C<4>,1|I<1>,6|H<1>}	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]HI)(H){1|C<4>,1|O<2>,4|H<1>}	H(N[5,6]C[5,6]2C)	110.2310	0.000	1	110.2310	0.000	1	109.4887	8.284	27	109.0166	7.603	39	109.3773	8.501	66	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5,6]-4:C-4:H-1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:	N[5,6](C[5,6]C[5]C[6]H)2(CH3)(H)	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HO)(C[6]C[6]HH)(H)	H(N[5,6]C[5,6]2C)	N[5,6](C[5,6]C[5]C[6]H)2(CH3)(H){1|C<4>,1|O<2>,7|H<1>}	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HO)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,4|H<1>}	H(N[5,6]C[5,6]2C)	112.7297	3.486	3	112.7297	12.153	3	109.4887	8.284	27	109.0166	7.603	39	109.3773	8.501	66	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]CH)(H)	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(H)	H(N[5,6]C[5,6]C[5]C[6])	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]CH)(H){1|C<4>,2|O<2>,6|H<1>}	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,5|H<1>}	H(N[5,6]C[5,6]C[5]C[6])	105.7920	0.000	1	105.7920	0.000	1	107.9546	4.906	12	109.0166	7.603	39	109.3773	8.501	66	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(N[5,6]C[5,6]C[5]C[6])	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<4>,8|H<1>}	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){3|C<4>,6|H<1>}	H(N[5,6]C[5,6]C[5]C[6])	106.2880	0.000	1	106.2880	0.000	1	107.9546	4.906	12	109.0166	7.603	39	109.3773	8.501	66	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H)	H(N[5,6]C[5,6]C[5]C[6])	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,7|H<1>}	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,7|H<1>}	H(N[5,6]C[5,6]C[5]C[6])	108.1830	0.107	2	108.1830	0.012	2	107.9546	4.906	12	109.0166	7.603	39	109.3773	8.501	66	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(N[5,6]C[5,6]C[5]C[6])	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|C<4>,8|H<1>}	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,5|H<1>}	H(N[5,6]C[5,6]C[5]C[6])	106.3820	0.000	1	106.3820	0.000	1	107.9546	4.906	12	109.0166	7.603	39	109.3773	8.501	66	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(H)	H(N[5,6]C[5,6]C[5]C[6])	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|C<4>,2|O<2>,6|H<1>}	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(H){2|O<2>,3|C<4>,4|H<1>}	H(N[5,6]C[5,6]C[5]C[6])	106.3420	0.000	1	106.3420	0.000	1	107.9546	4.906	12	109.0166	7.603	39	109.3773	8.501	66	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H)	H(N[5,6]C[5,6]C[5]C[6])	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H){2|C<4>,7|H<1>}	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H){2|C<4>,7|H<1>}	H(N[5,6]C[5,6]C[5]C[6])	108.1110	0.000	1	108.1110	0.000	1	107.9546	4.906	12	109.0166	7.603	39	109.3773	8.501	66	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(N[5,6]C[5,6]C[5]C[6])	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<4>,8|H<1>}	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){2|C<4>,7|H<1>}	H(N[5,6]C[5,6]C[5]C[6])	104.7080	0.000	1	104.7080	0.000	1	107.9546	4.906	12	109.0166	7.603	39	109.3773	8.501	66	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	H(N[5,6]C[5,6]C[5]C[6])	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){3|C<4>,6|H<1>}	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){2|C<4>,7|H<1>}	H(N[5,6]C[5,6]C[5]C[6])	109.0170	0.000	1	109.0170	0.000	1	107.9546	4.906	12	109.0166	7.603	39	109.3773	8.501	66	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]O[6]HH)(H)	H(N[5,6]C[5,6]C[5]C[6])	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,7|H<1>}	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]O[6]HH)(H){1|C<4>,6|H<1>}	H(N[5,6]C[5,6]C[5]C[6])	112.6530	0.000	1	112.6530	0.000	1	107.9546	4.906	12	109.0166	7.603	39	109.3773	8.501	66	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HO)(H)	H(N[5,6]C[5,6]C[5]C[6])	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,3|O<2>,5|H<1>}	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HO)(H){1|C<4>,1|O<2>,7|H<1>}	H(N[5,6]C[5,6]C[5]C[6])	109.8980	0.000	2	109.8980	0.000	2	107.9546	4.906	12	109.0166	7.603	39	109.3773	8.501	66	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,6]	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:C[5]-4:C[6]-4:C-4:	N[5,6]-4:	N[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]O[6]HH)(CCHH)	H(N[5,6]C[5,6]C[5]C[6])	N[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,7|H<1>}	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]O[6]HH)(CCHH){2|C<4>,5|H<1>}	H(N[5,6]C[5,6]C[5]C[6])	106.5370	0.000	1	106.5370	0.000	1	106.5370	0.000	1	106.5370	0.000	1	109.3773	8.501	66	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,6]	C[5,6]	H	5:4:4:1:	4:4:4:1:	4:	In[5,6]-5:C[5,6]-4:C[6]-4:H-1:	N[5,6]-4:C[5,6]-4:C[6]-4:H-1:	N[5,6]-4:	N[5,6](In[5,6]N[5]O[6]Cl2)(C[5,6]C[5,6]C[6]H)(C[6]C[6,6a]HH)(H)	C[5,6](N[5,6]In[5,6]C[6]H)(C[5,6]C[6]N[5]H)(C[6]C[6]HH)(H)	H(N[5,6]In[5,6]C[5,6]C[6])	N[5,6](In[5,6]N[5]O[6]Cl2)(C[5,6]C[5,6]C[6]H)(C[6]C[6,6a]HH)(H){2|C<3>,3|H<1>,4|C<4>}	C[5,6](N[5,6]In[5,6]C[6]H)(C[5,6]C[6]N[5]H)(C[6]C[6]HH)(H){2|Cl<1>,1|C<3>,1|O<2>,3|C<4>,6|H<1>}	H(N[5,6]In[5,6]C[5,6]C[6])	106.3590	2.448	2	106.3590	5.993	2	106.3590	5.993	2	106.3590	5.993	2	109.3773	8.501	66	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,3x6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[5,6]-4:H-1:H-1:	N[5,6]-4:	N[5,6](C[5,3x6]C[5,5,6,6]C[3x6]H)(C[5]C[5,6]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,5,6,6]C[6]H)(N[5,6]C[5,3x6]C[6]H)(H)2	H(N[5,6]C[5,3x6]C[5]C[6])	N[5,6](C[5,3x6]C[5,5,6,6]C[3x6]H)(C[5]C[5,6]HH)(C[6]C[6]HH)(H){2|C<3>,3|H<1>,4|C<4>}	C[5](C[5,6]C[5,5,6,6]C[6]H)(N[5,6]C[5,3x6]C[6]H)(H)2{1|C<3>,1|O<1>,3|H<1>,4|C<4>}	H(N[5,6]C[5,3x6]C[5]C[6])	109.8090	0.000	1	109.8090	0.000	1	109.8090	0.000	1	108.2245	3.247	75	108.1008	3.254	83	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,3x6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-4:	N[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](N[5,6]C[5,3x6]C[6]H)(C[5]C[5,6]HH)(H)2	H(N[5,6]C[5,3x6]C[5]C[6])	N[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,7|H<1>}	C[5](N[5,6]C[5,3x6]C[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(N[5,6]C[5,3x6]C[5]C[6])	104.4960	0.000	1	104.4960	0.000	1	104.4960	0.000	1	108.2245	3.247	75	108.1008	3.254	83	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-4:	N[5,6](C[5,6,6]C[3x6]N[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](N[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]CH)(H)2	H(N[5,6]C[5,6,6]C[5]C[6])	N[5,6](C[5,6,6]C[3x6]N[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|N<3>,1|N<4>,3|C<4>,3|H<1>}	C[5](N[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]CH)(H)2{2|H<1>,4|C<4>}	H(N[5,6]C[5,6,6]C[5]C[6])	109.9490	0.000	1	109.9490	0.000	1	107.9155	1.899	54	108.2245	3.247	75	108.1008	3.254	83	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-4:	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](N[5,6]C[5,6,6]C[6]H)(C[5]C[5,5,6]HH)(H)2	H(N[5,6]C[5,6,6]C[5]C[6])	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[5](N[5,6]C[5,6,6]C[6]H)(C[5]C[5,5,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(N[5,6]C[5,6,6]C[5]C[6])	107.8771	1.362	53	107.8771	1.854	53	107.9155	1.899	54	108.2245	3.247	75	108.1008	3.254	83	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:C[5]-4:H-1:	N[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-4:	N[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H)	C[5](N[5,6]C[5,6,6]C[6]H)(C[5]C[5,6,6]HH)(H)2	H(N[5,6]C[5,6,6]C[5]C[6])	N[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[5](N[5,6]C[5,6,6]C[6]H)(C[5]C[5,6,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(N[5,6]C[5,6,6]C[5]C[6])	109.1530	0.000	1	109.1530	0.000	1	111.3707	3.742	3	108.2245	3.247	75	108.1008	3.254	83	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:C[5]-4:H-1:	N[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-4:	N[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H)	C[5](N[5,6]C[5,6,6]C[6]H)(C[5]C[5,6,6]HO)(H)2	H(N[5,6]C[5,6,6]C[5]C[6])	N[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5](N[5,6]C[5,6,6]C[6]H)(C[5]C[5,6,6]HO)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(N[5,6]C[5,6,6]C[5]C[6])	112.4795	0.327	2	112.4795	0.107	2	111.3707	3.742	3	108.2245	3.247	75	108.1008	3.254	83	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-4:	N[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2	H(N[5,6]C[5,6]C[5]C[6])	N[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,7|H<1>}	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2{3|C<4>,4|H<1>}	H(N[5,6]C[5,6]C[5]C[6])	106.4790	0.000	1	106.4790	0.000	1	108.8117	5.026	16	108.2245	3.247	75	108.1008	3.254	83	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-4:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(N[5,6]C[5,6]C[5]C[6])	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|C<4>,8|H<1>}	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{3|H<1>,4|C<4>}	H(N[5,6]C[5,6]C[5]C[6])	106.4210	0.000	1	106.4210	0.000	1	108.8117	5.026	16	108.2245	3.247	75	108.1008	3.254	83	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-4:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2	H(N[5,6]C[5,6]C[5]C[6])	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|C<4>,2|O<2>,6|H<1>}	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2{1|O<2>,2|H<1>,4|C<4>}	H(N[5,6]C[5,6]C[5]C[6])	106.4620	0.000	1	106.4620	0.000	1	108.8117	5.026	16	108.2245	3.247	75	108.1008	3.254	83	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-4:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(N[5,6]C[5,6]C[5]C[6])	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<4>,8|H<1>}	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{3|C<4>,4|H<1>}	H(N[5,6]C[5,6]C[5]C[6])	104.6550	0.000	1	106.4030	6.111	2	108.8117	5.026	16	108.2245	3.247	75	108.1008	3.254	83	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-4:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(N[5,6]C[5,6]C[5]C[6])	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H){2|C<4>,7|H<1>}	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{3|C<4>,4|H<1>}	H(N[5,6]C[5,6]C[5]C[6])	108.1510	0.000	1	106.4030	6.111	2	108.8117	5.026	16	108.2245	3.247	75	108.1008	3.254	83	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-4:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2	H(N[5,6]C[5,6]C[5]C[6])	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){3|C<4>,6|H<1>}	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2{2|C<4>,5|H<1>}	H(N[5,6]C[5,6]C[5]C[6])	108.9870	0.000	1	108.9870	0.000	1	108.8117	5.026	16	108.2245	3.247	75	108.1008	3.254	83	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-4:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2	H(N[5,6]C[5,6]C[5]C[6])	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,7|H<1>}	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	H(N[5,6]C[5,6]C[5]C[6])	107.6740	0.000	1	107.6740	0.000	1	108.8117	5.026	16	108.2245	3.247	75	108.1008	3.254	83	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-4:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2	H(N[5,6]C[5,6]C[5]C[6])	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,3|O<2>,5|H<1>}	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2{1|O<2>,2|C<4>,4|H<1>}	H(N[5,6]C[5,6]C[5]C[6])	108.8480	0.000	2	108.8480	0.000	2	108.8117	5.026	16	108.2245	3.247	75	108.1008	3.254	83	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-4:	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2	H(N[5,6]C[5,6]C[5]C[6])	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,4|H<1>}	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(N[5,6]C[5,6]C[5]C[6])	106.9270	0.000	1	106.9270	0.000	1	108.8117	5.026	16	108.2245	3.247	75	108.1008	3.254	83	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,6]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-4:	N[5,6](C[5,6]N[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](N[5,6]C[5,6]C[6]H)(C[5]N[5,6]HH)(H)2	H(N[5,6]C[5,6]C[5]C[6])	N[5,6](C[5,6]N[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,4|H<1>}	C[5](N[5,6]C[5,6]C[6]H)(C[5]N[5,6]HH)(H)2{2|C<4>,4|H<1>}	H(N[5,6]C[5,6]C[5]C[6])	111.2558	0.236	6	111.2558	0.056	6	108.8117	5.026	16	108.2245	3.247	75	108.1008	3.254	83	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,6]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:C[5]-4:C-4:H-1:	N[5,6]-4:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]CH)(H)	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CHHO)(H)	H(N[5,6]C[5,6]C[5]C[6])	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]CH)(H){1|C<4>,2|O<2>,6|H<1>}	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CHHO)(H){1|O<2>,3|C<4>,3|H<1>}	H(N[5,6]C[5,6]C[5]C[6])	104.2080	0.000	1	104.2080	0.000	1	106.7190	3.679	4	106.7190	3.679	4	108.1008	3.254	83	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,6]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:C[5]-4:C-4:H-1:	N[5,6]-4:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCHH)(H)	H(N[5,6]C[5,6]C[5]C[6])	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,7|H<1>}	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCHH)(H){1|C<3>,2|C<4>,4|H<1>}	H(N[5,6]C[5,6]C[5]C[6])	108.2175	0.059	2	108.2175	0.003	2	106.7190	3.679	4	106.7190	3.679	4	108.1008	3.254	83	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,6]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,6]-4:C[5]-4:C-4:H-1:	N[5,6]-4:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(H)	H(N[5,6]C[5,6]C[5]C[6])	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<4>,8|H<1>}	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(H){2|C<4>,5|H<1>}	H(N[5,6]C[5,6]C[5]C[6])	106.2330	0.000	1	106.2330	0.000	1	106.7190	3.679	4	106.7190	3.679	4	108.1008	3.254	83	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5,6]	C[5]	H	6:4:4:1:	4:4:1:1:	4:	Ga[3x5,6,6]-6:C[6]-4:C[5]-4:H-1:	N[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-4:	N[5,6](Ga[3x5,6,6]N[3x5]N[5,6]2O[6]2)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H)	C[5](N[5,6]Ga[3x5,6,6]C[6]H)(C[5]N[3x5]HH)(H)2	H(N[5,6]Ga[3x5,6,6]C[5]C[6])	N[5,6](Ga[3x5,6,6]N[3x5]N[5,6]2O[6]2)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H){3|H<1>,4|C<4>,5|C<3>}	C[5](N[5,6]Ga[3x5,6,6]C[6]H)(C[5]N[3x5]HH)(H)2{1|C<3>,1|N<3>,1|N<4>,2|C<4>,2|H<1>,2|O<2>}	H(N[5,6]Ga[3x5,6,6]C[5]C[6])	107.1630	1.037	4	107.1630	1.075	4	107.1630	1.075	4	107.1630	1.075	4	108.1008	3.254	83	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5,5]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:N[5]-4:C-4:	N[5]-4:	N[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(N[5]C[5]HH)(CCHH)	H(N[5]C[5,5]C[5]H)	N[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(N[5]C[5]HH)(CCHH){8|H<1>}	H(N[5]C[5,5]C[5]H)	110.4760	0.744	2	110.4760	0.553	2	110.4760	0.553	2	110.4760	0.553	2	108.7572	15.099	5	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5,5]	H	4:4:4:1:	3:4:4:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,6]-3:C[5,5]-4:N[5]-4:H-1:	N[5]-4:	N[5](C[5,5]C[5,5]C[5,6]H)(C[5]C[5]HH)(CH3)(H)	C[5,5](C[5,6]C[5,6]C[6])(C[5,5]C[5]2H)(N[5]C[5]CH)(H)	H(N[5]C[5,5]C[5]C)	N[5](C[5,5]C[5,5]C[5,6]H)(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,5](C[5,6]C[5,6]C[6])(C[5,5]C[5]2H)(N[5]C[5]CH)(H){1|C<3>,1|N<3>,7|H<1>}	H(N[5]C[5,5]C[5]C)	113.2980	0.000	1	113.2980	0.000	1	113.2980	0.000	1	113.2980	0.000	1	108.7572	15.099	5	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5,5]	H	4:4:4:1:	4:3:4:3:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[3,5]-4:C[5,6a]-3:N[5]-4:C[5]-3:	N[5]-4:	N[5](C[5,5]C[5,6a]C[3,5]C[5])(C[5]C[3,5]HH)(CH3)(H)	C[5,5](C[3,5]C[3,5]C[6a]C[3])(C[5,6a]C[5,6a]C[6a])(N[5]C[5]CH)(C[5]N[5]O)	H(N[5]C[5,5]C[5]C)	N[5](C[5,5]C[5,6a]C[3,5]C[5])(C[5]C[3,5]HH)(CH3)(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>}	C[5,5](C[3,5]C[3,5]C[6a]C[3])(C[5,6a]C[5,6a]C[6a])(N[5]C[5]CH)(C[5]N[5]O){1|C<4>,4|H<1>,6|C<3>}	H(N[5]C[5,5]C[5]C)	105.6300	0.000	1	105.6300	0.000	1	105.6300	0.000	1	105.6300	0.000	1	108.7572	15.099	5	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5,5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C[5]-4:N[5]-4:	N[5]-4:	N[5](C[5,5]C[5]3)(C[5]C[5]HH)(CCHH)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]HH)2(N[5]C[5]CH)	H(N[5]C[5,5]C[5]C)	N[5](C[5,5]C[5]3)(C[5]C[5]HH)(CCHH)(H){1|C<4>,2|C<3>,7|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]HH)2(N[5]C[5]CH){1|O<1>,2|C<3>,6|H<1>}	H(N[5]C[5,5]C[5]C)	103.9060	0.000	1	103.9060	0.000	1	103.9060	0.000	1	103.9060	0.000	1	108.7572	15.099	5	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5,6]	H	4:2:1:1:	3:4:4:1:	4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[6,6a]-3:C[5,6]-4:N[5]-4:H-1:	N[5]-4:	N[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5])(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]O[5]HH)(H)	H(N[5]C[5,6]O[5]H)	N[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5])(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]O[5]HH)(H){1|O<2>,2|C<3>,5|H<1>}	H(N[5]C[5,6]O[5]H)	109.8860	0.040	2	109.8860	0.002	2	109.8860	0.002	2	109.8860	0.002	2	110.4899	5.259	25	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5,6]	H	4:2:4:1:	4:4:4:1:	4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6]-4:C[6]-4:N[5]-4:H-1:	N[5]-4:	N[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]O[5]CH)(H)	H(N[5]C[5,6]O[5]C)	N[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3)(H){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]O[5]CH)(H){1|C<3>,1|N<3>,5|H<1>}	H(N[5]C[5,6]O[5]C)	112.9780	0.000	1	112.9780	0.000	1	112.9780	0.000	1	112.9780	0.000	1	110.4899	5.259	25	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5,6]	H	4:4:1:1:	3:4:3:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:N[5]-4:	N[5]-4:	N[5](C[5,6]C[6,6a]C[5,6]C[6a])(C[5]C[5]CH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(N[5]C[5]HH)	H(N[5]C[5,6]C[5]H)	N[5](C[5,6]C[6,6a]C[5,6]C[6a])(C[5]C[5]CH)(H)2{1|C<4>,2|H<1>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(N[5]C[5]HH){1|C<4>,1|O<1>,1|O<2>,5|C<3>,5|H<1>}	H(N[5]C[5,6]C[5]H)	109.9720	0.000	1	109.9720	0.000	1	109.9720	0.000	1	109.9720	0.000	1	110.4899	5.259	25	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:N[5]-4:H-1:	N[5]-4:	N[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(N[5]C[5]HH)(H)	H(N[5]C[5,6]C[5]H)	N[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(N[5]C[5]HH)(H){1|C<4>,2|C<3>,2|N<2>,4|H<1>}	H(N[5]C[5,6]C[5]H)	111.1631	1.835	8	111.1631	3.366	8	111.1631	3.366	8	111.0681	2.658	10	110.4899	5.259	25	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-4:H-1:	N[5]-4:	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]HH)(H)	H(N[5]C[5,6]C[5]H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CH)(H)2{2|C<4>,4|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]HH)(H){1|C<3>,1|C<4>,6|H<1>}	H(N[5]C[5,6]C[5]H)	110.6880	0.021	2	110.6880	0.000	2	110.6880	0.000	2	111.0681	2.658	10	110.4899	5.259	25	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-4:C-4:	N[5]-4:	N[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]HH)(CCHH)	H(N[5]C[5,6]C[5]H)	N[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]HH)(CCHH){1|C<4>,8|H<1>}	H(N[5]C[5,6]C[5]H)	108.7900	0.328	2	108.7900	0.108	2	108.7900	0.108	2	109.4017	1.176	3	110.4899	5.259	25	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:N[5]-4:	N[5]-4:	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[6]S[6]HH)(N[5]C[5]HH)	H(N[5]C[5,6]C[5]H)	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{1|C<4>,1|S<4>,8|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[6]S[6]HH)(N[5]C[5]HH){1|C<4>,2|O<1>,6|H<1>}	H(N[5]C[5,6]C[5]H)	110.6250	0.000	1	110.6250	0.000	1	110.6250	0.000	1	109.4017	1.176	3	110.4899	5.259	25	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5,6]	H	4:4:4:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-3:C[6]-4:N[5]-4:H-1:	N[5]-4:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CC[6a]CH)(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]CH)(H)	H(N[5]C[5,6]C[5]C)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CC[6a]CH)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]CH)(H){1|C<4>,7|H<1>}	H(N[5]C[5,6]C[5]C)	106.4670	0.000	1	106.4670	0.000	1	106.4670	0.000	1	106.4670	0.000	1	110.4899	5.259	25	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5,6]	H	4:4:4:1:	4:3:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[6,6]-4:C[5,6]-3:N[5]-4:H-1:	N[5]-4:	N[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CH3)(H)	C[5,6](C[6,6]C[6,6a]C[6,6]H)(C[5,6]C[5]C[6])(N[5]C[5]CH)(H)	H(N[5]C[5,6]C[5]C)	N[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CH3)(H){1|C<2>,1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[6,6]C[6,6a]C[6,6]H)(C[5,6]C[5]C[6])(N[5]C[5]CH)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(N[5]C[5,6]C[5]C)	116.4500	0.000	1	116.4500	0.000	1	116.4500	0.000	1	116.4500	0.000	1	110.4899	5.259	25	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5,6]	H	4:4:4:1:	4:3:4:4:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:N[5]-4:	N[5]-4:	N[5](C[5,6]C[5,6]C[6a]C[6])(C[5]C[5]HH)(CCHH)(H)	C[5,6](C[5,6]C[5]C[6]S)(C[6a]C[6a]2)(C[6]C[6]HH)(N[5]C[5]CH)	H(N[5]C[5,6]C[5]C)	N[5](C[5,6]C[5,6]C[6a]C[6])(C[5]C[5]HH)(CCHH)(H){1|C<4>,1|S<4>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]S)(C[6a]C[6a]2)(C[6]C[6]HH)(N[5]C[5]CH){1|C<4>,3|C<3>,8|H<1>}	H(N[5]C[5,6]C[5]C)	106.9150	0.000	1	106.9150	0.000	1	106.9150	0.000	1	106.9150	0.000	1	110.4899	5.259	25	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6,6]-4:C[6]-4:N[5]-4:H-1:	N[5]-4:	N[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(CH3)(H)	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[6]C[6]HH)(N[5]C[5]CH)(H)	H(N[5]C[5,6]C[5]C)	N[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(CH3)(H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[6]C[6]HH)(N[5]C[5]CH)(H){3|C<3>,3|O<2>,4|H<1>}	H(N[5]C[5,6]C[5]C)	109.9350	0.000	1	109.9350	0.000	1	109.9350	0.000	1	110.1616	5.207	5	110.4899	5.259	25	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[6]-4:N[5]-4:H-1:	N[5]-4:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(CCHH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CC)(N[5]C[5]CH)(H)	H(N[5]C[5,6]C[5]C)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(CCHH)(H){3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CC)(N[5]C[5]CH)(H){2|C<4>,7|H<1>}	H(N[5]C[5,6]C[5]C)	107.9380	0.000	1	107.9380	0.000	1	109.0660	2.416	3	110.1616	5.207	5	110.4899	5.259	25	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[6]-4:N[5]-4:H-1:	N[5]-4:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CC[6a]HH)(H)	C[5,6](C[5,6]C[5]C[6]Br)(C[6]C[6]HH)(N[5]C[5]CH)(H)	H(N[5]C[5,6]C[5]C)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CC[6a]HH)(H){1|Br<1>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]Br)(C[6]C[6]HH)(N[5]C[5]CH)(H){1|C<4>,8|H<1>}	H(N[5]C[5,6]C[5]C)	110.8390	0.000	1	110.8390	0.000	1	109.0660	2.416	3	110.1616	5.207	5	110.4899	5.259	25	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[6]-4:N[5]-4:H-1:	N[5]-4:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(H)	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]ClH)(N[5]C[5]CH)(H)	H(N[5]C[5,6]C[5]C)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(H){1|Cl<1>,1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]ClH)(N[5]C[5]CH)(H){1|C<4>,2|C<3>,8|H<1>}	H(N[5]C[5,6]C[5]C)	108.4210	0.000	1	108.4210	0.000	1	109.0660	2.416	3	110.1616	5.207	5	110.4899	5.259	25	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[6,6]-4:C[5,6]-4:N[5]-4:H-1:	N[5]-4:	N[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CH3)(H)	C[5,6](C[6,6]C[6,6a]C[6,6]H)(C[5,6]C[5]C[6]H)(N[5]C[5]CH)(H)	H(N[5]C[5,6]C[5]C)	N[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CH3)(H){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[6,6]C[6,6a]C[6,6]H)(C[5,6]C[5]C[6]H)(N[5]C[5]CH)(H){1|C<4>,1|O<2>,2|C<3>,7|H<1>}	H(N[5]C[5,6]C[5]C)	113.6750	0.000	1	113.6750	0.000	1	113.6750	0.000	1	110.1616	5.207	5	110.4899	5.259	25	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	3:4:1:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6]-4:N[5]-4:H-1:H-1:	N[5]-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]HH)(H)2	H(N[5]C[5,6a]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]HH)(H)2{2|C<4>,3|C<3>,3|H<1>}	H(N[5]C[5,6a]C[5]H)	109.2475	1.776	2	109.2475	3.153	2	109.2475	3.153	2	109.2475	3.153	2	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	3:4:1:1:	4:4:3:1:	4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C[6a]-3:H-1:	N[5]-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]HH)(C[6a]C[6a]2)(H)	H(N[5]C[5,6a]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(H)2{1|H<1>,2|C<4>,4|C<3>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]HH)(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	H(N[5]C[5,6a]C[5]H)	111.0050	0.008	2	111.0050	0.000	2	111.0050	0.000	2	111.0050	0.000	2	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	3:4:4:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:B-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(BC[6a]3)(H)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]BH)(H)2	H(N[5]C[5,6a]C[5]B)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(BC[6a]3)(H){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]BH)(H)2{2|C<3>}	H(N[5]C[5,6a]C[5]B)	107.3640	0.000	1	107.3640	0.000	1	107.3640	0.000	1	107.3640	0.000	1	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:2:4:1:	3:4:4:1:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[6a]-3:C[5]-4:N[5]-4:H-1:	N[5]-4:	N[5](C[5]C[6a]C[5]H)(O[5]C[5])(CH3)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(N[5]O[5]CH)(H)	H(N[5]C[5]O[5]C)	N[5](C[5]C[6a]C[5]H)(O[5]C[5])(CH3)(H){2|C<3>,2|H<1>,2|S<4>}	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(N[5]O[5]CH)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(N[5]C[5]O[5]C)	112.5140	0.000	1	112.5140	0.000	1	112.5140	0.000	1	112.5140	0.000	1	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:2:4:1:	4:4:4:4:	4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:N[5]-4:C-4:C-4:	N[5]-4:	N[5](C[5]C[5]CC)(O[5]C[5])(CH3)(H)	C[5](C[5]C[5]HH)(N[5]O[5]CH)(CCHO)(CH3)	H(N[5]C[5]O[5]C)	N[5](C[5]C[5]CC)(O[5]C[5])(CH3)(H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]O[5]CH)(CCHO)(CH3){2|H<1>}	H(N[5]C[5]O[5]C)	108.5180	0.000	1	108.5180	0.000	1	108.5180	0.000	1	108.5180	0.000	1	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:	N[5](C[5]C[5]HH)(C[5]N[5]C)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]HH)(H)2	H(N[5]C[5]2H)	N[5](C[5]C[5]HH)(C[5]N[5]C)(H)2{1|C<4>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]HH)(H)2{2|C<4>}	H(N[5]C[5]2H)	108.1760	0.133	2	108.1760	0.018	2	108.1760	0.018	2	108.1760	0.018	2	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:3:3:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:C-3:H-1:	N[5]-4:C[5]-3:H-1:H-1:	N[5]-4:	N[5](C[5]C[5]HH)(C[5]C[5]H)(CCH)(H)	C[5](N[5]C[5]CH)(C[5]C[5]H)(H)2	H(N[5]C[5]2C)	N[5](C[5]C[5]HH)(C[5]C[5]H)(CCH)(H){2|H<1>}	C[5](N[5]C[5]CH)(C[5]C[5]H)(H)2{2|H<1>}	H(N[5]C[5]2C)	106.5460	0.000	1	106.5460	0.000	1	106.5460	0.000	1	106.5460	0.000	1	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	B[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:N[5]-4:H-1:H-1:	N[5]-4:	N[5](B[5]C[5,6a]HH)(C[5]C[5,6a]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]HH)(H)2	H(N[5]B[5]C[5]H)	N[5](B[5]C[5,6a]HH)(C[5]C[5,6a]HH)(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]HH)(H)2{2|C<3>,3|H<1>}	H(N[5]B[5]C[5]H)	109.8535	1.107	2	109.8535	1.225	2	109.8535	1.225	2	109.4750	0.426	5	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5a]-3:N[5]-4:H-1:H-1:	N[5]-4:	N[5](C[5]C[5,5a]HH)2(H)2	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]HH)(H)2	H(N[5]C[5]2H)	N[5](C[5]C[5,5a]HH)2(H)2{1|C<3>,1|N<3>}	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]HH)(H)2{1|N<3>,2|H<1>,2|N<2>}	H(N[5]C[5]2H)	109.2260	0.055	2	109.2260	0.003	2	109.2227	0.002	3	109.4750	0.426	5	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5a]-3:N[5]-4:H-1:H-1:	N[5]-4:	N[5](C[5]C[5,5a]HH)2(H)2	C[5](C[5,5a]C[5,5a]N[5a])(N[5]C[5]HH)(H)2	H(N[5]C[5]2H)	N[5](C[5]C[5,5a]HH)2(H)2{1|C<3>,1|N<3>}	C[5](C[5,5a]C[5,5a]N[5a])(N[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(N[5]C[5]2H)	109.2160	0.000	1	109.2160	0.000	1	109.2227	0.002	3	109.4750	0.426	5	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:1:1:	3:4:3:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:N[5]-4:N[5]-3:C-4:	N[5]-4:	N[5](C[5]C[6a]N[5]C)(C[5]C[5]CH)(H)2	C[5](C[6a]C[6a]2)(N[5]C[5]HH)(N[5]C[5]C)(CH3)	H(N[5]C[5]2H)	N[5](C[5]C[6a]N[5]C)(C[5]C[5]CH)(H)2{1|C<4>,1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]HH)(N[5]C[5]C)(CH3){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(N[5]C[5]2H)	110.3050	0.017	2	110.3050	0.000	2	110.3050	0.000	2	110.3050	0.000	2	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-4:H-1:	N[5]-4:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]HH)(H)	H(N[5]C[5]2H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]HH)(H){4|C<3>,4|H<1>}	H(N[5]C[5]2H)	110.8190	0.030	2	110.2610	0.606	4	109.7677	2.970	12	109.7677	2.970	12	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-4:H-1:	N[5]-4:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]HH)(H)	H(N[5]C[5]2H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)2{2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]HH)(H){4|C<3>,4|H<1>}	H(N[5]C[5]2H)	109.7030	0.755	2	110.2610	0.606	4	109.7677	2.970	12	109.7677	2.970	12	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-4:H-1:	N[5]-4:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]HH)(H)	H(N[5]C[5]2H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)2{2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]HH)(H){1|C<4>,1|O<1>,2|N<3>,4|H<1>}	H(N[5]C[5]2H)	110.4675	0.564	2	110.3778	2.891	4	109.7677	2.970	12	109.7677	2.970	12	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-4:H-1:	N[5]-4:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]HH)(H)	H(N[5]C[5]2H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)2{2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]HH)(H){1|C<4>,2|C<3>,5|H<1>}	H(N[5]C[5]2H)	110.2880	2.885	2	110.3778	2.891	4	109.7677	2.970	12	109.7677	2.970	12	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-4:H-1:	N[5]-4:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]HH)(H)	H(N[5]C[5]2H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]HH)(H){2|C<3>,2|C<4>,4|H<1>}	H(N[5]C[5]2H)	109.9930	0.010	2	109.9930	0.000	2	109.7677	2.970	12	109.7677	2.970	12	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-4:H-1:	N[5]-4:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)(N[5]C[5]HH)(H)	H(N[5]C[5]2H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>,4|H<1>}	C[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)(N[5]C[5]HH)(H){2|C<3>,5|H<1>}	H(N[5]C[5]2H)	107.3355	2.790	2	107.3355	7.782	2	109.7677	2.970	12	109.7677	2.970	12	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:N[5]-4:C-4:C-4:	N[5]-4:	N[5](C[5]C[5,6a]CC)2(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]HH)(CCHH)2	H(N[5]C[5]2H)	N[5](C[5]C[5,6a]CC)2(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]HH)(CCHH)2{1|H<1>,2|C<3>,2|C<4>}	H(N[5]C[5]2H)	111.0132	3.068	4	111.0132	9.413	4	111.0132	9.413	4	111.0132	9.413	4	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:S[5]-2:H-1:H-1:	N[5]-4:	N[5](C[5]C[5]CH)(C[5]S[5]HH)(H)2	C[5](N[5]C[5]HH)(S[5]C[5])(H)2	H(N[5]C[5]2H)	N[5](C[5]C[5]CH)(C[5]S[5]HH)(H)2{2|H<1>}	C[5](N[5]C[5]HH)(S[5]C[5])(H)2{1|C<3>,3|H<1>}	H(N[5]C[5]2H)	110.0035	3.400	2	110.0035	11.563	2	110.0035	11.563	2	110.0035	11.563	2	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	B[5,6a]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-3:H-1:H-1:	N[5]-4:	N[5](B[5,6a]C[6a,6a]N[5,6a]O)(C[5]C[5]HH)(H)2	C[5](N[5]B[5,6a]HH)(C[5]N[5,6a]O)(H)2	H(N[5]B[5,6a]C[5]H)	N[5](B[5,6a]C[6a,6a]N[5,6a]O)(C[5]C[5]HH)(H)2{1|N<2>,1|O<1>,2|C<3>}	C[5](N[5]B[5,6a]HH)(C[5]N[5,6a]O)(H)2{1|C<3>,1|N<2>,1|O<2>}	H(N[5]B[5,6a]C[5]H)	110.2737	0.069	3	110.2737	0.005	3	110.2737	0.005	3	110.2422	0.500	5	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-3:H-1:H-1:	N[5]-4:	N[5](C[5]C[5]HH)2(H)2	C[5](N[5]C[5]HH)(C[5]C[5]H)(H)2	H(N[5]C[5]2H)	N[5](C[5]C[5]HH)2(H)2{2|H<1>}	C[5](N[5]C[5]HH)(C[5]C[5]H)(H)2{3|H<1>}	H(N[5]C[5]2H)	110.1950	1.409	2	110.1950	1.984	2	110.1950	1.984	2	110.2422	0.500	5	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5]-4:N[5]-3:C-3:H-1:	N[5]-4:	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CH)(H)2	C[5](N[5]C[5,6]HH)(N[5]C[5,6]H)(COO)(H)	H(N[5]C[5,6]C[5]H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CH)(H)2{2|C<4>,4|H<1>}	C[5](N[5]C[5,6]HH)(N[5]C[5,6]H)(COO)(H){2|C<4>,2|H<1>}	H(N[5]C[5,6]C[5]H)	110.7265	0.015	2	110.7265	0.000	2	110.7265	0.000	2	109.4360	4.603	4	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:1:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:N[5]-3:C-3:H-1:	N[5]-4:	N[5](C[5]C[6a]C[5]H)(C[5]N[5]CH)(H)2	C[5](N[5]C[5]HH)(N[5]C[5]H)(COO)(H)	H(N[5]C[5]2H)	N[5](C[5]C[6a]C[5]H)(C[5]N[5]CH)(H)2{2|H<1>,3|C<3>}	C[5](N[5]C[5]HH)(N[5]C[5]H)(COO)(H){2|C<3>,2|H<1>}	H(N[5]C[5]2H)	108.1455	2.674	2	108.1455	7.148	2	108.1455	7.148	2	109.4360	4.603	4	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	B[5,6]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-3:C-4:H-1:	N[5]-4:	N[5](B[5,6]C[6]2O[5])(C[5]C[5]CH)(H)2	C[5](N[5]B[5,6]HH)(C[5]O[5]O)(CH3)(H)	H(N[5]B[5,6]C[5]H)	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>}	C[5](N[5]B[5,6]HH)(C[5]O[5]O)(CH3)(H){2|C<4>}	H(N[5]B[5,6]C[5]H)	110.1565	0.012	2	110.1565	0.000	2	110.1565	0.000	2	110.9811	16.101	37	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	B[5,6a]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-3:C-4:H-1:	N[5]-4:	N[5](B[5,6a]C[6a,6a]N[5,6a]O)(C[5]C[5]CH)(H)2	C[5](N[5]B[5,6a]HH)(C[5]N[5,6a]O)(CC[6a]HH)(H)	H(N[5]B[5,6a]C[5]H)	N[5](B[5,6a]C[6a,6a]N[5,6a]O)(C[5]C[5]CH)(H)2{1|N<2>,1|O<1>,2|C<3>}	C[5](N[5]B[5,6a]HH)(C[5]N[5,6a]O)(CC[6a]HH)(H){1|C<3>,1|N<2>,1|O<2>}	H(N[5]B[5,6a]C[5]H)	110.5735	2.183	2	110.5735	4.765	2	110.5735	4.765	2	110.9811	16.101	37	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[6a]-3:N[5]-4:H-1:	N[5]-4:	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CC)(H)2	C[5](C[5,5]C[5,6a]C[5,5]N)(C[6a]C[6a]2)(N[5]C[5]HH)(H)	H(N[5]C[5]2H)	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CC)(H)2{1|H<1>,2|N<3>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]N)(C[6a]C[6a]2)(N[5]C[5]HH)(H){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	H(N[5]C[5]2H)	109.8120	0.023	2	109.8120	0.001	2	109.8120	0.001	2	110.9811	16.101	37	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:N[5]-4:H-1:	N[5]-4:	N[5](C[5]C[6a]C[5]H)(C[5]N[5]CH)(H)2	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]HH)(H)	H(N[5]C[5]2H)	N[5](C[5]C[6a]C[5]H)(C[5]N[5]CH)(H)2{2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]HH)(H){4|H<1>,5|C<3>}	H(N[5]C[5]2H)	109.5655	4.492	2	109.5655	20.180	2	109.5655	20.180	2	110.9811	16.101	37	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-3:C-4:H-1:	N[5]-4:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](N[5]C[5]HH)(C[5]C[5]C)(CCHH)(H)	H(N[5]C[5]2H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>}	C[5](N[5]C[5]HH)(C[5]C[5]C)(CCHH)(H){4|H<1>}	H(N[5]C[5]2H)	111.3615	0.978	2	111.3615	0.956	2	111.2443	19.437	29	110.9811	16.101	37	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-3:C-4:H-1:	N[5]-4:	N[5](C[5]C[5]CH)(C[5]N[5]CC)(H)2	C[5](N[5]C[5]HH)(C[5]N[5]O)(CCHH)(H)	H(N[5]C[5]2H)	N[5](C[5]C[5]CH)(C[5]N[5]CC)(H)2{1|C<4>,1|O<1>}	C[5](N[5]C[5]HH)(C[5]N[5]O)(CCHH)(H){3|C<4>}	H(N[5]C[5]2H)	110.1455	0.005	2	110.1455	0.000	2	111.2443	19.437	29	110.9811	16.101	37	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-3:C-4:H-1:	N[5]-4:	N[5](C[5]C[5]CH)(C[5]N[5]CC)(H)2	C[5](N[5]C[5]HH)(C[5]N[5]O)(CC[6a]HH)(H)	H(N[5]C[5]2H)	N[5](C[5]C[5]CH)(C[5]N[5]CC)(H)2{1|C<4>,1|O<1>}	C[5](N[5]C[5]HH)(C[5]N[5]O)(CC[6a]HH)(H){3|C<4>}	H(N[5]C[5]2H)	111.3382	5.317	20	111.3382	28.274	20	111.2443	19.437	29	110.9811	16.101	37	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-3:C-4:H-1:	N[5]-4:	N[5](C[5]C[5]CH)2(H)2	C[5](N[5]C[5]HH)(C[5]C[5]H)(CHHO)(H)	H(N[5]C[5]2H)	N[5](C[5]C[5]CH)2(H)2{2|H<1>}	C[5](N[5]C[5]HH)(C[5]C[5]H)(CHHO)(H){1|C<4>,2|H<1>}	H(N[5]C[5]2H)	111.4955	0.888	4	111.4955	0.789	4	111.2443	19.437	29	110.9811	16.101	37	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-3:C-4:H-1:	N[5]-4:	N[5](C[5]C[6a]N[5]C)(C[5]C[5]CH)(H)2	C[5](N[5]C[5]HH)(C[5]N[5]O)(CC[6a]HH)(H)	H(N[5]C[5]2H)	N[5](C[5]C[6a]N[5]C)(C[5]C[5]CH)(H)2{1|C<4>,1|O<1>,2|C<3>}	C[5](N[5]C[5]HH)(C[5]N[5]O)(CC[6a]HH)(H){1|C<3>,2|C<4>}	H(N[5]C[5]2H)	110.3250	0.000	1	110.3250	0.000	1	111.2443	19.437	29	110.9811	16.101	37	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-4:N[5]-3:C-4:C-4:	N[5]-4:	N[5](C[5]C[5]CH)(C[5]N[5]CC)(H)2	C[5](N[5]C[5]HH)(N[5]C[5]C)(CH3)2	H(N[5]C[5]2H)	N[5](C[5]C[5]CH)(C[5]N[5]CC)(H)2{1|C<4>,1|O<1>}	C[5](N[5]C[5]HH)(N[5]C[5]C)(CH3)2{1|C<4>,1|H<1>,1|O<1>}	H(N[5]C[5]2H)	110.0910	2.999	22	110.0910	8.991	22	110.0910	8.991	22	110.0910	8.991	22	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	B[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:	N[5](B[5]C[5]OO)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]B[5]HH)(H)2	H(N[5]B[5]C[5]H)	N[5](B[5]C[5]OO)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]B[5]HH)(H)2{1|C<4>,1|H<1>,2|O<2>}	H(N[5]B[5]C[5]H)	110.7665	2.452	4	110.7665	6.013	4	109.0529	13.283	8	110.1360	3.917	372	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	B[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:	N[5](B[5]C[5a]2O[5])(C[5]C[5]HH)(H)2	C[5](C[5]O[5]HH)(N[5]B[5]HH)(H)2	H(N[5]B[5]C[5]H)	N[5](B[5]C[5a]2O[5])(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>,2|S<2>}	C[5](C[5]O[5]HH)(N[5]B[5]HH)(H)2{2|C<3>}	H(N[5]B[5]C[5]H)	110.6700	0.006	2	110.6700	0.000	2	109.0529	13.283	8	110.1360	3.917	372	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	B[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:	N[5](B[5]C[5a]C[6a]O[5])(C[5]C[5]HH)(H)2	C[5](C[5]O[5]HH)(N[5]B[5]HH)(H)2	H(N[5]B[5]C[5]H)	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>}	C[5](C[5]O[5]HH)(N[5]B[5]HH)(H)2{2|C<3>}	H(N[5]B[5]C[5]H)	104.0085	2.659	2	104.0085	7.073	2	109.0529	13.283	8	110.1360	3.917	372	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:	N[5](C[4,5]C[4,5]C[6a]C[4])(C[5]C[5]HH)(H)2	C[5](C[5]C[4,5]HH)(N[5]C[4,5]HH)(H)2	H(N[5]C[4,5]C[5]H)	N[5](C[4,5]C[4,5]C[6a]C[4])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,5|H<1>}	C[5](C[5]C[4,5]HH)(N[5]C[4,5]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(N[5]C[4,5]C[5]H)	110.1435	3.529	2	110.1435	12.455	2	110.1435	12.455	2	110.1360	3.917	372	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:	N[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(N[5]C[5,5]HH)(H)2	H(N[5]C[5,5]C[5]H)	N[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	C[5](C[5]C[5,5]HH)(N[5]C[5,5]HH)(H)2{1|H<1>,3|C<4>}	H(N[5]C[5,5]C[5]H)	110.4765	2.703	2	110.4765	7.308	2	110.4765	7.308	2	110.1360	3.917	372	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,5]-4:N[5]-4:H-1:H-1:	N[5]-4:	N[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,5,6]N[5]C)(N[5]C[5,6]HH)(H)2	H(N[5]C[5,6]C[5]H)	N[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,5,6]N[5]C)(N[5]C[5,6]HH)(H)2{1|N<2>,2|C<4>,2|H<1>}	H(N[5]C[5,6]C[5]H)	110.5715	1.790	8	110.5715	3.205	8	110.5715	3.205	8	110.1360	3.917	372	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:	N[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6]HH)(N[5]C[5,6]HH)(H)2	H(N[5]C[5,6]C[5]H)	N[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	C[5](C[5]C[5,6]HH)(N[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	H(N[5]C[5,6]C[5]H)	110.9395	4.156	2	110.9395	17.270	2	110.9395	17.270	2	110.1360	3.917	372	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	N[5]-4:	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2	C[5](N[5]C[5,6]HH)(C[5]C[5]HH)(H)2	H(N[5]C[5,6]C[5]H)	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)2{1|C<4>,1|S<4>,8|H<1>}	C[5](N[5]C[5,6]HH)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	H(N[5]C[5,6]C[5]H)	110.6130	0.020	2	110.6130	0.000	2	110.6130	0.000	2	110.1360	3.917	372	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:N[5]-4:H-1:H-1:	N[5]-4:	N[5](C[5]C[3,5]HH)2(H)2	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]HH)(H)2	H(N[5]C[5]2H)	N[5](C[5]C[3,5]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]HH)(H)2{1|C<3>,4|H<1>}	H(N[5]C[5]2H)	113.1830	3.956	2	113.1830	15.646	2	111.1462	11.225	4	110.1360	3.917	372	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:N[5]-4:H-1:H-1:	N[5]-4:	N[5](C[5]C[3,5]HH)2(H)2	C[5](C[3,5]C[3,5]C[6a]C[3])(N[5]C[5]HH)(H)2	H(N[5]C[5]2H)	N[5](C[5]C[3,5]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[3,5]C[3,5]C[6a]C[3])(N[5]C[5]HH)(H)2{2|C<3>,5|H<1>}	H(N[5]C[5]2H)	109.1095	1.199	2	109.1095	1.437	2	111.1462	11.225	4	110.1360	3.917	372	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3x5]-4:N[5]-4:H-1:H-1:	N[5]-4:	N[5](C[5]C[3x5]HH)2(H)2	C[5](C[3x5]C[3x5]C[5]2)(N[5]C[5]HH)(H)2	H(N[5]C[5]2H)	N[5](C[5]C[3x5]HH)2(H)2{4|C<4>}	C[5](C[3x5]C[3x5]C[5]2)(N[5]C[5]HH)(H)2{1|N<4>,1|O<2>,2|C<4>,6|H<1>}	H(N[5]C[5]2H)	110.6123	0.019	4	110.6534	0.003	7	110.6534	0.003	7	110.1360	3.917	372	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3x5]-4:N[5]-4:H-1:H-1:	N[5]-4:	N[5](C[5]C[3x5]HH)2(H)2	C[5](C[3x5]C[3x5]C[5]2)(N[5]C[5]HH)(H)2	H(N[5]C[5]2H)	N[5](C[5]C[3x5]HH)2(H)2{4|C<4>}	C[5](C[3x5]C[3x5]C[5]2)(N[5]C[5]HH)(H)2{1|O<2>,3|C<4>,6|H<1>}	H(N[5]C[5]2H)	110.7083	0.022	3	110.6534	0.003	7	110.6534	0.003	7	110.1360	3.917	372	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[4,5,5]-4:N[5]-4:H-1:H-1:	N[5]-4:	N[5](C[5]C[4,5,5]HH)2(H)2	C[5](C[4,5,5]C[4,5,5]C[4]C[5])(N[5]C[5]HH)(H)2	H(N[5]C[5]2H)	N[5](C[5]C[4,5,5]HH)2(H)2{4|C<4>}	C[5](C[4,5,5]C[4,5,5]C[4]C[5])(N[5]C[5]HH)(H)2{1|O<2>,2|C<4>,6|H<1>}	H(N[5]C[5]2H)	110.4085	0.005	2	110.4085	0.000	2	110.4085	0.000	2	110.1360	3.917	372	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:N[5]-4:H-1:H-1:	N[5]-4:	N[5](C[5]C[5,5,6]HH)2(H)2	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(N[5]C[5]HH)(H)2	H(N[5]C[5]2H)	N[5](C[5]C[5,5,6]HH)2(H)2{4|C<4>}	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(N[5]C[5]HH)(H)2{1|O<2>,3|C<4>,6|H<1>}	H(N[5]C[5]2H)	109.7821	0.184	8	109.7821	0.034	8	109.7821	0.034	8	110.1360	3.917	372	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:N[5]-4:H-1:H-1:	N[5]-4:	N[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	C[5](C[5,5]C[5]2O[5])(N[5]C[5]HH)(H)2	H(N[5]C[5]2H)	N[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5]2O[5])(N[5]C[5]HH)(H)2{2|C<4>,6|H<1>}	H(N[5]C[5]2H)	110.8840	1.211	2	110.8840	1.465	2	110.9188	0.294	6	110.1360	3.917	372	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:N[5]-4:H-1:H-1:	N[5]-4:	N[5](C[5]C[5,5]HH)2(H)2	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]HH)(H)2	H(N[5]C[5]2H)	N[5](C[5]C[5,5]HH)2(H)2{2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]HH)(H)2{1|C<4>,1|O<2>,5|H<1>}	H(N[5]C[5]2H)	110.9363	0.012	4	110.9363	0.000	4	110.9188	0.294	6	110.1360	3.917	372	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:N[5]-4:H-1:H-1:	N[5]-4:	N[5](C[5]C[5,6]HH)2(H)2	C[5](C[5,6]C[5,6]N[5,6]H)(N[5]C[5]HH)(H)2	H(N[5]C[5]2H)	N[5](C[5]C[5,6]HH)2(H)2{1|N<3>,1|O<2>,2|H<1>}	C[5](C[5,6]C[5,6]N[5,6]H)(N[5]C[5]HH)(H)2{1|C<3>,1|N<2>,1|O<2>,3|H<1>}	H(N[5]C[5]2H)	109.7345	0.028	2	109.7345	0.001	2	109.7278	0.000	4	110.1360	3.917	372	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:N[5]-4:H-1:H-1:	N[5]-4:	N[5](C[5]C[5,6]HH)2(H)2	C[5](C[5,6]C[5,6]O[6]H)(N[5]C[5]HH)(H)2	H(N[5]C[5]2H)	N[5](C[5]C[5,6]HH)2(H)2{1|N<3>,1|O<2>,2|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(N[5]C[5]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(N[5]C[5]2H)	109.7210	0.020	2	109.7210	0.000	2	109.7278	0.000	4	110.1360	3.917	372	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:	N[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5]HH)(N[5]C[5]HH)(H)2	H(N[5]C[5]2H)	N[5](C[5]C[5,5]HH)(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5,5]HH)(N[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(N[5]C[5]2H)	110.5410	1.609	2	110.5410	2.590	2	110.1155	3.927	317	110.1360	3.917	372	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:	N[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2	H(N[5]C[5]2H)	N[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2{2|N<3>,4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	H(N[5]C[5]2H)	110.5938	0.407	4	110.5938	0.166	4	110.1155	3.927	317	110.1360	3.917	372	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:	N[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2	H(N[5]C[5]2H)	N[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(N[5]C[5]2H)	110.1844	0.192	8	110.1844	0.037	8	110.1155	3.927	317	110.1360	3.917	372	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]2H)(N[5]C[5]HH)(H)2	H(N[5]C[5]2H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]2H)(N[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(N[5]C[5]2H)	109.9913	0.110	4	109.9913	0.012	4	110.1155	3.927	317	110.1360	3.917	372	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CH)(N[5]C[5]HH)(H)2	H(N[5]C[5]2H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(N[5]C[5]2H)	111.8035	0.197	2	111.8035	0.039	2	110.1155	3.927	317	110.1360	3.917	372	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]FH)(N[5]C[5]HH)(H)2	H(N[5]C[5]2H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|F<1>,3|H<1>}	C[5](C[5]C[5]FH)(N[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	H(N[5]C[5]2H)	107.9945	0.508	2	107.9945	0.258	2	110.1155	3.927	317	110.1360	3.917	372	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2	H(N[5]C[5]2H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(N[5]C[5]2H)	108.4125	5.380	2	110.2568	5.144	149	110.1155	3.927	317	110.1360	3.917	372	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2	H(N[5]C[5]2H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(N[5]C[5]2H)	111.1405	5.549	2	110.2568	5.144	149	110.1155	3.927	317	110.1360	3.917	372	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2	H(N[5]C[5]2H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	H(N[5]C[5]2H)	110.3012	2.211	113	110.2568	5.144	149	110.1155	3.927	317	110.1360	3.917	372	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2	H(N[5]C[5]2H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	H(N[5]C[5]2H)	110.1602	2.165	32	110.2568	5.144	149	110.1155	3.927	317	110.1360	3.917	372	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HO)(N[5]C[5]HH)(H)2	H(N[5]C[5]2H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	H(N[5]C[5]2H)	109.5484	1.924	9	109.4021	3.563	11	110.1155	3.927	317	110.1360	3.917	372	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HO)(N[5]C[5]HH)(H)2	H(N[5]C[5]2H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	H(N[5]C[5]2H)	108.7435	2.225	2	109.4021	3.563	11	110.1155	3.927	317	110.1360	3.917	372	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HS)(N[5]C[5]HH)(H)2	H(N[5]C[5]2H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|S<2>,3|H<1>}	C[5](C[5]C[5]HS)(N[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	H(N[5]C[5]2H)	112.2825	4.102	2	112.2825	16.826	2	110.1155	3.927	317	110.1360	3.917	372	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:	N[5](C[5]C[5]HH)(C[5]C[5]PP)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2	H(N[5]C[5]2H)	N[5](C[5]C[5]HH)(C[5]C[5]PP)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2{2|H<1>,2|P<4>}	H(N[5]C[5]2H)	111.2738	4.310	6	111.2738	18.572	6	110.1155	3.927	317	110.1360	3.917	372	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:	N[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]CH)(N[5]C[5]HH)(H)2	H(N[5]C[5]2H)	N[5](C[5]C[5]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5]CH)(N[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(N[5]C[5]2H)	110.1045	0.062	2	110.1045	0.004	2	110.1155	3.927	317	110.1360	3.917	372	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:	N[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]CO)(N[5]C[5]HH)(H)2	H(N[5]C[5]2H)	N[5](C[5]C[5]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5]CO)(N[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	H(N[5]C[5]2H)	110.0745	0.012	2	110.0745	0.000	2	110.1155	3.927	317	110.1360	3.917	372	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:	N[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]FH)(N[5]C[5]HH)(H)2	H(N[5]C[5]2H)	N[5](C[5]C[5]HH)2(H)2{1|F<1>,3|H<1>}	C[5](C[5]C[5]FH)(N[5]C[5]HH)(H)2{4|H<1>}	H(N[5]C[5]2H)	109.8754	0.262	8	109.8754	0.068	8	110.1155	3.927	317	110.1360	3.917	372	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:	N[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2	H(N[5]C[5]2H)	N[5](C[5]C[5]HH)2(H)2{1|F<1>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2{1|F<1>,3|H<1>}	H(N[5]C[5]2H)	109.8514	0.264	7	109.9439	2.669	98	110.1155	3.927	317	110.1360	3.917	372	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:	N[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2	H(N[5]C[5]2H)	N[5](C[5]C[5]HH)2(H)2{1|N<4>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2{1|N<4>,3|H<1>}	H(N[5]C[5]2H)	109.4816	0.044	7	109.9439	2.669	98	110.1155	3.927	317	110.1360	3.917	372	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:	N[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2	H(N[5]C[5]2H)	N[5](C[5]C[5]HH)2(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2{4|H<1>}	H(N[5]C[5]2H)	109.9901	1.759	84	109.9439	2.669	98	110.1155	3.927	317	110.1360	3.917	372	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:	N[5](C[5]C[5]HH)2(H)2	C[5](C[5]C[5]HN)(N[5]C[5]HH)(H)2	H(N[5]C[5]2H)	N[5](C[5]C[5]HH)2(H)2{1|N<4>,3|H<1>}	C[5](C[5]C[5]HN)(N[5]C[5]HH)(H)2{4|H<1>}	H(N[5]C[5]2H)	109.4637	0.033	7	109.4637	0.001	7	110.1155	3.927	317	110.1360	3.917	372	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:	N[5](C[5]C[5]SiH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2	H(N[5]C[5]2H)	N[5](C[5]C[5]SiH)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2{1|Si<4>,3|H<1>}	H(N[5]C[5]2H)	109.7656	1.753	8	109.7656	3.073	8	110.1155	3.927	317	110.1360	3.917	372	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2	H(N[5]C[5]2H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>,4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	H(N[5]C[5]2H)	109.9900	0.361	2	109.9900	0.130	2	110.1155	3.927	317	110.1360	3.917	372	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C-3:H-1:	N[5]-4:	N[5](C[5,6]C[6,6a]C[5,6]C[6a])(C[5]C[5]CH)(H)2	C[5](C[5]C[5,6]CH)(N[5]C[5,6]HH)(COO)(H)	H(N[5]C[5,6]C[5]H)	N[5](C[5,6]C[6,6a]C[5,6]C[6a])(C[5]C[5]CH)(H)2{1|C<4>,2|H<1>,5|C<3>}	C[5](C[5]C[5,6]CH)(N[5]C[5,6]HH)(COO)(H){1|H<1>,3|C<3>}	H(N[5]C[5,6]C[5]H)	110.0450	0.011	2	110.0450	0.000	2	110.0450	0.000	2	109.7563	5.861	159	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C-3:H-1:	N[5]-4:	N[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CCH)(H)	H(N[5]C[5]2H)	N[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CCH)(H){2|C<3>,2|H<1>}	H(N[5]C[5]2H)	109.8255	2.785	2	109.8255	7.758	2	109.7314	6.069	153	109.7563	5.861	159	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C-3:H-1:	N[5]-4:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CH)(N[5]C[5]HH)(COO)(H)	H(N[5]C[5]2H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]HH)(COO)(H){1|C<3>,3|H<1>}	H(N[5]C[5]2H)	109.9425	2.102	2	109.1445	2.366	4	109.7314	6.069	153	109.7563	5.861	159	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C-3:H-1:	N[5]-4:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]CH)(N[5]C[5]HH)(COO)(H)	H(N[5]C[5]2H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]HH)(COO)(H){4|H<1>}	H(N[5]C[5]2H)	108.3465	0.363	2	109.1445	2.366	4	109.7314	6.069	153	109.7563	5.861	159	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C-3:H-1:	N[5]-4:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CClO)(H)	H(N[5]C[5]2H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CClO)(H){4|H<1>}	H(N[5]C[5]2H)	108.9515	3.623	6	108.9515	13.124	6	109.7314	6.069	153	109.7563	5.861	159	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C-3:H-1:	N[5]-4:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CNO)(H)	H(N[5]C[5]2H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|S<2>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CNO)(H){1|S<2>,3|H<1>}	H(N[5]C[5]2H)	98.8272	4.968	2	108.3895	23.671	14	109.7314	6.069	153	109.7563	5.861	159	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C-3:H-1:	N[5]-4:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CNO)(H)	H(N[5]C[5]2H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CNO)(H){4|H<1>}	H(N[5]C[5]2H)	109.9832	2.517	12	108.3895	23.671	14	109.7314	6.069	153	109.7563	5.861	159	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C-3:H-1:	N[5]-4:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CNS)(H)	H(N[5]C[5]2H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CNS)(H){4|H<1>}	H(N[5]C[5]2H)	110.4540	0.658	2	110.4540	0.432	2	109.7314	6.069	153	109.7563	5.861	159	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C-3:H-1:	N[5]-4:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CN[6]O)(H)	H(N[5]C[5]2H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CN[6]O)(H){4|H<1>}	H(N[5]C[5]2H)	109.6320	4.206	2	109.6320	17.689	2	109.7314	6.069	153	109.7563	5.861	159	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C-3:H-1:	N[5]-4:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(COO)(H)	H(N[5]C[5]2H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(COO)(H){1|C<4>,3|H<1>}	H(N[5]C[5]2H)	110.0240	0.058	4	109.8894	4.337	105	109.7314	6.069	153	109.7563	5.861	159	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C-3:H-1:	N[5]-4:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(COO)(H)	H(N[5]C[5]2H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|F<1>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(COO)(H){1|F<1>,3|H<1>}	H(N[5]C[5]2H)	110.0585	2.423	2	109.8894	4.337	105	109.7314	6.069	153	109.7563	5.861	159	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C-3:H-1:	N[5]-4:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(COO)(H)	H(N[5]C[5]2H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(COO)(H){1|O<2>,3|H<1>}	H(N[5]C[5]2H)	109.6910	3.204	10	109.8894	4.337	105	109.7314	6.069	153	109.7563	5.861	159	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C-3:H-1:	N[5]-4:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(COO)(H)	H(N[5]C[5]2H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(COO)(H){4|H<1>}	H(N[5]C[5]2H)	109.9018	2.001	89	109.8894	4.337	105	109.7314	6.069	153	109.7563	5.861	159	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C-3:H-1:	N[5]-4:	N[5](C[5]C[5]CH)(C[5]S[5]HH)(H)2	C[5](C[5]S[5]HH)(N[5]C[5]HH)(COO)(H)	H(N[5]C[5]2H)	N[5](C[5]C[5]CH)(C[5]S[5]HH)(H)2{2|H<1>}	C[5](C[5]S[5]HH)(N[5]C[5]HH)(COO)(H){2|H<1>}	H(N[5]C[5]2H)	109.6000	4.992	2	109.6000	24.922	2	109.7314	6.069	153	109.7563	5.861	159	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C-3:H-1:	N[5]-4:	N[5](C[5]C[5]CH)2(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(COO)(H)	H(N[5]C[5]2H)	N[5](C[5]C[5]CH)2(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(COO)(H){1|C<4>,3|H<1>}	H(N[5]C[5]2H)	110.2505	0.144	10	110.2505	0.021	10	109.7314	6.069	153	109.7563	5.861	159	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C-3:H-1:	N[5]-4:	N[5](C[5]C[5]CH)2(H)2	C[5](C[5]C[5]HO)(N[5]C[5]HH)(COO)(H)	H(N[5]C[5]2H)	N[5](C[5]C[5]CH)2(H)2{2|H<1>,2|O<2>}	C[5](C[5]C[5]HO)(N[5]C[5]HH)(COO)(H){1|C<4>,1|O<2>,2|H<1>}	H(N[5]C[5]2H)	110.1455	0.449	2	110.1455	0.202	2	109.7314	6.069	153	109.7563	5.861	159	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C-3:H-1:	N[5]-4:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)2	C[5](C[5]C[5]CH)(N[5]C[5]HH)(COO)(H)	H(N[5]C[5]2H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)2{2|H<1>,4|C<3>}	C[5](C[5]C[5]CH)(N[5]C[5]HH)(COO)(H){2|C<3>,2|H<1>}	H(N[5]C[5]2H)	109.6625	0.661	2	109.6625	0.437	2	109.7314	6.069	153	109.7563	5.861	159	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C-3:H-1:	N[5]-4:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)2	C[5](C[5]C[6a]C[5]H)(N[5]C[5]HH)(COO)(H)	H(N[5]C[5]2H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]HH)(COO)(H){1|C<4>,2|H<1>,3|C<3>}	H(N[5]C[5]2H)	110.8210	0.030	2	110.8210	0.001	2	109.7314	6.069	153	109.7563	5.861	159	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C[5]-3:H-1:	N[5]-4:	N[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(C[5]N[5]2)(H)	H(N[5]C[5]2H)	N[5](C[5]C[5]2H)(C[5]C[5]HH)(H)2{2|N<3>,4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(C[5]N[5]2)(H){2|C<3>,6|H<1>}	H(N[5]C[5]2H)	110.5643	0.445	4	110.5643	0.198	4	110.5643	0.198	4	109.7563	5.861	159	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:1:1:	4:4:3:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C-3:C-3:	N[5]-4:	N[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CCH)(COO)	H(N[5]C[5]2H)	N[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CCH)(COO){1|C<3>,3|H<1>}	H(N[5]C[5]2H)	109.9915	4.550	2	109.9915	20.705	2	109.9915	20.705	2	109.9915	20.705	2	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C-4:H-1:	N[5]-4:	N[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CCHH)(H)	H(N[5]C[5]2H)	N[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	H(N[5]C[5]2H)	109.5475	2.873	4	109.5475	8.254	4	110.5072	2.326	68	110.5518	2.353	76	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C-4:H-1:	N[5]-4:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CCHH)(H)	H(N[5]C[5]2H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CCHH)(H){4|H<1>}	H(N[5]C[5]2H)	110.1265	0.005	2	110.1265	0.000	2	110.5072	2.326	68	110.5518	2.353	76	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C-4:H-1:	N[5]-4:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CC[6a]2F)(H)	H(N[5]C[5]2H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CC[6a]2F)(H){4|H<1>}	H(N[5]C[5]2H)	112.1125	2.249	2	112.1125	5.059	2	110.5072	2.326	68	110.5518	2.353	76	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C-4:H-1:	N[5]-4:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CC[6a]2O)(H)	H(N[5]C[5]2H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CC[6a]2O)(H){4|H<1>}	H(N[5]C[5]2H)	111.5955	3.040	4	111.5955	9.243	4	110.5072	2.326	68	110.5518	2.353	76	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C-4:H-1:	N[5]-4:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CH3)(H)	H(N[5]C[5]2H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CH3)(H){4|H<1>}	H(N[5]C[5]2H)	110.6575	3.612	4	110.6575	13.046	4	110.5072	2.326	68	110.5518	2.353	76	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C-4:H-1:	N[5]-4:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CHHN)(H)	H(N[5]C[5]2H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CHHN)(H){1|O<2>,3|H<1>}	H(N[5]C[5]2H)	113.3315	0.469	2	113.3315	0.220	2	110.5072	2.326	68	110.5518	2.353	76	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C-4:H-1:	N[5]-4:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CHHO)(H)	H(N[5]C[5]2H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CHHO)(H){4|H<1>}	H(N[5]C[5]2H)	109.8037	0.750	6	109.8037	0.562	6	110.5072	2.326	68	110.5518	2.353	76	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C-4:H-1:	N[5]-4:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CHHS)(H)	H(N[5]C[5]2H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CHHS)(H){4|H<1>}	H(N[5]C[5]2H)	110.1007	0.199	6	110.1007	0.040	6	110.5072	2.326	68	110.5518	2.353	76	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C-4:H-1:	N[5]-4:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CN[5]HH)(H)	H(N[5]C[5]2H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CN[5]HH)(H){4|H<1>}	H(N[5]C[5]2H)	110.6660	0.000	1	110.6660	0.000	1	110.5072	2.326	68	110.5518	2.353	76	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C-4:H-1:	N[5]-4:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CN[6]HH)(H)	H(N[5]C[5]2H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CN[6]HH)(H){4|H<1>}	H(N[5]C[5]2H)	111.3502	1.234	5	111.3502	1.522	5	110.5072	2.326	68	110.5518	2.353	76	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C-4:H-1:	N[5]-4:	N[5](C[5]C[5]CH)2(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CCHH)(H)	H(N[5]C[5]2H)	N[5](C[5]C[5]CH)2(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CCHH)(H){1|C<3>,3|H<1>}	H(N[5]C[5]2H)	110.2451	0.128	9	110.2118	0.009	20	110.5072	2.326	68	110.5518	2.353	76	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C-4:H-1:	N[5]-4:	N[5](C[5]C[5]CH)2(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CCHH)(H)	H(N[5]C[5]2H)	N[5](C[5]C[5]CH)2(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CCHH)(H){1|C<4>,3|H<1>}	H(N[5]C[5]2H)	110.1846	0.055	11	110.2118	0.009	20	110.5072	2.326	68	110.5518	2.353	76	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C-4:H-1:	N[5]-4:	N[5](C[5]C[5]CH)2(H)2	C[5](C[5]C[5]HO)(N[5]C[5]HH)(CHHN)(H)	H(N[5]C[5]2H)	N[5](C[5]C[5]CH)2(H)2{2|H<1>,2|O<2>}	C[5](C[5]C[5]HO)(N[5]C[5]HH)(CHHN)(H){1|C<4>,1|O<2>,2|H<1>}	H(N[5]C[5]2H)	110.3785	0.030	2	110.3785	0.001	2	110.5072	2.326	68	110.5518	2.353	76	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C-4:H-1:	N[5]-4:	N[5](C[5]C[5]CH)2(H)2	C[5](C[5]C[5]HO)(N[5]C[5]HH)(CHHO)(H)	H(N[5]C[5]2H)	N[5](C[5]C[5]CH)2(H)2{2|H<1>,2|O<2>}	C[5](C[5]C[5]HO)(N[5]C[5]HH)(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	H(N[5]C[5]2H)	110.1900	1.509	2	110.1900	2.277	2	110.5072	2.326	68	110.5518	2.353	76	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C-4:H-1:	N[5]-4:	N[5](C[5]C[5]CH)2(H)2	C[5](C[5]C[5]HO)(N[5]C[5]HH)(CN[6a]HH)(H)	H(N[5]C[5]2H)	N[5](C[5]C[5]CH)2(H)2{2|H<1>,2|O<2>}	C[5](C[5]C[5]HO)(N[5]C[5]HH)(CN[6a]HH)(H){1|C<4>,1|O<2>,2|H<1>}	H(N[5]C[5]2H)	110.3405	0.030	2	110.3405	0.001	2	110.5072	2.326	68	110.5518	2.353	76	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C-4:H-1:	N[5]-4:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)2	C[5](C[5]C[5]CH)(N[5]C[5]HH)(CH3)(H)	H(N[5]C[5]2H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]HH)(CH3)(H){1|C<3>,1|O<2>,2|H<1>}	H(N[5]C[5]2H)	109.9750	0.016	2	109.9750	0.000	2	110.5072	2.326	68	110.5518	2.353	76	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C-4:H-1:	N[5]-4:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CH3)(H)	H(N[5]C[5]2H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)2{2|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CH3)(H){1|C<3>,3|H<1>}	H(N[5]C[5]2H)	111.5585	1.955	2	111.5585	3.823	2	110.5072	2.326	68	110.5518	2.353	76	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C-4:H-1:	N[5]-4:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CHHO)(H)	H(N[5]C[5]2H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)2{2|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CHHO)(H){1|C<3>,3|H<1>}	H(N[5]C[5]2H)	110.0910	0.967	2	110.0910	0.936	2	110.5072	2.326	68	110.5518	2.353	76	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:Si-4:H-1:	N[5]-4:	N[5](C[5]C[5]SiH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(SiC[6a]2C)(H)	H(N[5]C[5]2H)	N[5](C[5]C[5]SiH)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(SiC[6a]2C)(H){4|H<1>}	H(N[5]C[5]2H)	112.1040	2.167	2	112.1040	4.694	2	110.9311	2.771	8	110.5518	2.353	76	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:Si-4:H-1:	N[5]-4:	N[5](C[5]C[5]SiH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(SiC[6a]2O)(H)	H(N[5]C[5]2H)	N[5](C[5]C[5]SiH)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(SiC[6a]2O)(H){4|H<1>}	H(N[5]C[5]2H)	110.6532	1.904	4	110.6532	3.627	4	110.9311	2.771	8	110.5518	2.353	76	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:Si-4:H-1:	N[5]-4:	N[5](C[5]C[5]SiH)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(SiC[6a]3)(H)	H(N[5]C[5]2H)	N[5](C[5]C[5]SiH)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(SiC[6a]3)(H){4|H<1>}	H(N[5]C[5]2H)	110.3140	0.020	2	110.3140	0.000	2	110.9311	2.771	8	110.5518	2.353	76	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:1:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:N[5]-4:C-4:O-2:	N[5]-4:	N[5](C[5]C[3,5]CC)(C[5]C[3,5]CO)(H)2	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]HH)(CF3)(OH)	H(N[5]C[5]2H)	N[5](C[5]C[3,5]CC)(C[5]C[3,5]CO)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]HH)(CF3)(OH){1|C<3>,2|C<4>,2|H<1>}	H(N[5]C[5]2H)	111.0305	2.280	2	111.0305	5.200	2	111.0305	5.200	2	111.0305	5.200	2	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:1:1:	4:4:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:N[5]-4:C-4:C-3:	N[5]-4:	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CC)(H)2	C[5](C[5,5]C[5,5]N[5]H)(N[5]C[5]HH)(CH3)(COO)	H(N[5]C[5]2H)	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CC)(H)2{1|H<1>,2|N<3>,3|C<3>}	C[5](C[5,5]C[5,5]N[5]H)(N[5]C[5]HH)(CH3)(COO){1|H<1>,1|N<3>,1|S<4>,3|C<3>}	H(N[5]C[5]2H)	109.8490	0.016	2	109.8490	0.000	2	109.8490	0.000	2	111.0349	4.027	14	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:1:1:	4:4:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C-4:C-3:	N[5]-4:	N[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CCHH)(COO)	H(N[5]C[5]2H)	N[5](C[5]C[5]CC)(C[5]C[5]CH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CCHH)(COO){1|C<4>,3|H<1>}	H(N[5]C[5]2H)	113.3697	2.664	4	113.3697	7.099	4	111.2326	4.461	12	111.0349	4.027	14	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:1:1:	4:4:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C-4:C-3:	N[5]-4:	N[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CC[6a]HH)(COO)	H(N[5]C[5]2H)	N[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CC[6a]HH)(COO){4|H<1>}	H(N[5]C[5]2H)	110.1977	0.200	6	110.1977	0.040	6	111.2326	4.461	12	111.0349	4.027	14	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:1:1:	4:4:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C-4:C-3:	N[5]-4:	N[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CF3)(CNO)	H(N[5]C[5]2H)	N[5](C[5]C[5]CC)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CF3)(CNO){4|H<1>}	H(N[5]C[5]2H)	110.0630	0.380	2	110.0630	0.145	2	111.2326	4.461	12	111.0349	4.027	14	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:N[5]-4:C-4:C-4:	N[5]-4:	N[5](C[5]C[3,5]CC)(C[5]C[3,5]CO)(H)2	C[5](C[3,5]C[3,5]C[6a]C[3])(N[5]C[5]HH)(CH3)2	H(N[5]C[5]2H)	N[5](C[5]C[3,5]CC)(C[5]C[3,5]CO)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[3,5]C[3,5]C[6a]C[3])(N[5]C[5]HH)(CH3)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(N[5]C[5]2H)	110.8225	0.569	2	110.8225	0.324	2	110.8225	0.324	2	110.5539	1.152	8	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:P-4:P-4:	N[5]-4:	N[5](C[5]C[5]HH)(C[5]C[5]PP)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(PO3)2	H(N[5]C[5]2H)	N[5](C[5]C[5]HH)(C[5]C[5]PP)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(PO3)2{4|H<1>}	H(N[5]C[5]2H)	110.4643	1.228	6	110.4643	1.509	6	110.4643	1.509	6	110.5539	1.152	8	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:2:1:	3:3:4:2:	4:	C[5]-4:C-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:N[5]-4:N[5]-2:	N[5]-4:	N[5](C[5]C[6a]2N[5])(CC[6a]HH)(O[5]C[5])(H)	C[5](C[6a]C[6a]2)2(N[5]O[5]CH)(N[5]C[5])	H(N[5]C[5]O[5]C)	N[5](C[5]C[6a]2N[5])(CC[6a]HH)(O[5]C[5])(H){1|N<3>,4|C<3>}	C[5](C[6a]C[6a]2)2(N[5]O[5]CH)(N[5]C[5]){1|N<3>,4|C<3>,4|H<1>}	H(N[5]C[5]O[5]C)	112.3040	0.000	1	112.3040	0.000	1	112.3040	0.000	1	112.3040	0.000	1	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:4:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5a]-3:C[5]-4:N[5]-4:H-1:	N[5]-4:	N[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(CCHH)(H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]2H)(N[5]C[5]CH)(H)	H(N[5]C[5]2C)	N[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]2H)(N[5]C[5]CH)(H){1|N<3>,2|C<3>,2|C<4>,2|O<2>,4|H<1>}	H(N[5]C[5]2C)	108.4830	4.501	3	108.4830	20.258	3	108.1552	10.333	5	106.7676	11.493	9	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:4:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5a]-3:C[5]-4:N[5]-4:H-1:	N[5]-4:	N[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(CCHH)(H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(N[5]C[5]CH)(H)	H(N[5]C[5]2C)	N[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(CCHH)(H){3|C<3>,3|H<1>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(N[5]C[5]CH)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(N[5]C[5]2C)	107.6635	0.104	2	107.6635	0.011	2	108.1552	10.333	5	106.7676	11.493	9	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:4:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[6a]-3:C[5]-4:N[5]-4:H-1:	N[5]-4:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CH3)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]CH)(H)	H(N[5]C[5]2C)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CH3)(H){2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]CH)(H){1|C<3>,1|N<2>,6|H<1>}	H(N[5]C[5]2C)	107.7090	0.520	2	107.7090	0.271	2	107.7090	0.271	2	106.7676	11.493	9	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:4:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:S-4:H-1:	C[5a]-3:C[5]-4:N[5]-4:H-1:	N[5]-4:	N[5](C[5]C[5a]C[5]H)(C[5]C[5]CH)(SC[6a]OO)(H)	C[5](C[5a]C[5a]S[5a])(C[5]C[5]HH)(N[5]C[5]HS)(H)	H(N[5]C[5]2S)	N[5](C[5]C[5a]C[5]H)(C[5]C[5]CH)(SC[6a]OO)(H){1|C<3>,1|S<2>,4|H<1>}	C[5](C[5a]C[5a]S[5a])(C[5]C[5]HH)(N[5]C[5]HS)(H){1|C<4>,2|C<3>,4|H<1>}	H(N[5]C[5]2S)	102.2270	0.000	1	102.2270	0.000	1	102.2270	0.000	1	106.7676	11.493	9	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:4:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:S-4:H-1:	C[6]-3:N[5]-4:N[5]-4:H-1:	N[5]-4:	N[5](C[5]C[6a]C[5]H)(C[5]C[6]N[5]H)(SC[6a]OO)(H)	C[5](C[6]C[6]N[6])(N[5]C[5]FeH)(N[5]C[5]HS)(H)	H(N[5]C[5]2S)	N[5](C[5]C[6a]C[5]H)(C[5]C[6]N[5]H)(SC[6a]OO)(H){1|Fe<6>,1|N<3>,2|H<1>,4|C<3>}	C[5](C[6]C[6]N[6])(N[5]C[5]FeH)(N[5]C[5]HS)(H){3|H<1>,4|C<3>}	H(N[5]C[5]2S)	102.4870	0.000	1	102.4870	0.000	1	102.4870	0.000	1	106.7676	11.493	9	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	N[5]-4:C[5]-3:H-1:H-1:	N[5]-4:	N[5](C[5]C[5]2H)(C[5]C[5]HH)2(H)	C[5](N[5]C[5]2H)(C[5]C[5]H)(H)2	H(N[5]C[5]3)	N[5](C[5]C[5]2H)(C[5]C[5]HH)2(H){2|C<3>,7|H<1>}	C[5](N[5]C[5]2H)(C[5]C[5]H)(H)2{2|C<4>,5|H<1>}	H(N[5]C[5]3)	103.6130	0.000	1	103.6130	0.000	1	103.6130	0.000	1	103.2095	0.326	2	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:S-4:H-1:	N[5]-4:C[5]-3:H-1:H-1:	N[5]-4:	N[5](C[5]C[5]HH)2(SC[6a]OO)(H)	C[5](N[5]C[5]HS)(C[5]C[5]C)(H)2	H(N[5]C[5]2S)	N[5](C[5]C[5]HH)2(SC[6a]OO)(H){1|H<1>,2|C<3>}	C[5](N[5]C[5]HS)(C[5]C[5]C)(H)2{1|C<3>,3|H<1>}	H(N[5]C[5]2S)	102.8060	0.000	1	102.8060	0.000	1	102.8060	0.000	1	103.2095	0.326	2	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:S-4:H-1:	C[5]-4:C[6a]-3:N[5]-4:H-1:	N[5]-4:	N[5](C[5]C[6a]C[5]H)(C[5]C[6]N[5]H)(SC[6a]OO)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]HS)(H)	H(N[5]C[5]2S)	N[5](C[5]C[6a]C[5]H)(C[5]C[6]N[5]H)(SC[6a]OO)(H){1|Fe<6>,1|N<3>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]HS)(H){1|Fe<6>,4|H<1>,5|C<3>}	H(N[5]C[5]2S)	102.4880	0.000	1	102.4880	0.000	1	102.4880	0.000	1	107.0650	41.898	2	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:4:1:	4:3:4:1:	4:	Ga[5]-4:C[5]-4:C-4:H-1:	N[5]-4:C[5]-3:C-4:H-1:	N[5]-4:	N[5](Ga[5]O[5]OO)(C[5]C[5]CH)(CC3)(H)	C[5](N[5]Ga[5]CH)(C[5]O[5]O)(CH3)(H)	H(N[5]Ga[5]C[5]C)	N[5](Ga[5]O[5]OO)(C[5]C[5]CH)(CC3)(H){1|O<1>}	C[5](N[5]Ga[5]CH)(C[5]O[5]O)(CH3)(H){2|O<2>}	H(N[5]Ga[5]C[5]C)	111.6420	0.000	1	111.6420	0.000	1	111.6420	0.000	1	107.0650	41.898	2	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[3,5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:	N[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HH)(CC[6a]HH)(H)	C[5](C[5]C[3,5]C[6a]H)(N[5]C[3,5]CH)(H)2	H(N[5]C[3,5]C[5]C)	N[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HH)(CC[6a]HH)(H){1|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[3,5]C[6a]H)(N[5]C[3,5]CH)(H)2{2|C<3>,3|C<4>}	H(N[5]C[3,5]C[5]C)	104.4260	0.000	1	104.4260	0.000	1	104.4260	0.000	1	106.9598	8.937	137	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[3,5]-4:N[5]-4:H-1:H-1:	N[5]-4:	N[5](C[5,5]C[5,6a]C[3,5]C[5])(C[5]C[3,5]HH)(CH3)(H)	C[5](C[3,5]C[3,5]C[6a]C[3])(N[5]C[5,5]CH)(H)2	H(N[5]C[5,5]C[5]C)	N[5](C[5,5]C[5,6a]C[3,5]C[5])(C[5]C[3,5]HH)(CH3)(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[3,5]C[3,5]C[6a]C[3])(N[5]C[5,5]CH)(H)2{1|H<1>,6|C<3>}	H(N[5]C[5,5]C[5]C)	105.4720	0.000	1	105.4720	0.000	1	105.4720	0.000	1	106.9598	8.937	137	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:	N[5](C[5,5]C[5,5]C[5,6]H)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]CH)(H)2	H(N[5]C[5,5]C[5]C)	N[5](C[5,5]C[5,5]C[5,6]H)(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5,5]HH)(N[5]C[5,5]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(N[5]C[5,5]C[5]C)	105.2180	0.000	1	105.2180	0.000	1	105.2180	0.000	1	106.9598	8.937	137	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C[5]-4:C-4:H-1:	N[5]-4:C[5]-4:H-1:H-1:	N[5]-4:	N[5](C[5,5]C[5]3)(C[5]C[5]HH)(CCHH)(H)	C[5](N[5]C[5,5]CH)(C[5]C[5]HH)(H)2	H(N[5]C[5,5]C[5]C)	N[5](C[5,5]C[5]3)(C[5]C[5]HH)(CCHH)(H){1|C<4>,2|C<3>,7|H<1>}	C[5](N[5]C[5,5]CH)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	H(N[5]C[5,5]C[5]C)	112.2030	0.000	1	112.2030	0.000	1	112.2030	0.000	1	106.9598	8.937	137	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:N[5]-4:H-1:H-1:	N[5]-4:	N[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(CH3)(H)	C[5](C[5,6]C[5,6,6]O[6]O)(N[5]C[5,6]CH)(H)2	H(N[5]C[5,6]C[5]C)	N[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(CH3)(H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[5](C[5,6]C[5,6,6]O[6]O)(N[5]C[5,6]CH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(N[5]C[5,6]C[5]C)	110.4210	0.000	1	110.4210	0.000	1	110.4210	0.000	1	106.9598	8.937	137	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:	N[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]CH)(H)2	H(N[5]C[5,6]C[5]C)	N[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CH3)(H){1|C<2>,1|C<3>,1|C<4>,3|H<1>}	C[5](C[5]C[5,6]HH)(N[5]C[5,6]CH)(H)2{1|C<2>,1|C<4>,1|H<1>}	H(N[5]C[5,6]C[5]C)	99.9973	0.000	1	102.6796	14.390	2	105.5614	8.490	6	106.9598	8.937	137	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:	N[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]CH)(H)2	H(N[5]C[5,6]C[5]C)	N[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CH3)(H){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]HH)(N[5]C[5,6]CH)(H)2{2|C<4>,2|H<1>}	H(N[5]C[5,6]C[5]C)	105.3620	0.000	1	102.6796	14.390	2	105.5614	8.490	6	106.9598	8.937	137	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CC[6a]CH)(H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]CH)(H)2	H(N[5]C[5,6]C[5]C)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CC[6a]CH)(H){1|C<3>,1|C<4>,4|H<1>}	C[5](C[5]C[5,6]HH)(N[5]C[5,6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(N[5]C[5,6]C[5]C)	106.2270	0.000	1	106.2270	0.000	1	105.5614	8.490	6	106.9598	8.937	137	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CC[6a]HH)(H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]CH)(H)2	H(N[5]C[5,6]C[5]C)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CC[6a]HH)(H){1|Br<1>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]HH)(N[5]C[5,6]CH)(H)2{1|Br<1>,1|H<1>,2|C<4>}	H(N[5]C[5,6]C[5]C)	106.3830	0.000	1	106.3830	0.000	1	105.5614	8.490	6	106.9598	8.937	137	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]CH)(H)2	H(N[5]C[5,6]C[5]C)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(H){1|Cl<1>,1|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6]HH)(N[5]C[5,6]CH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(N[5]C[5,6]C[5]C)	108.4710	0.000	1	108.4710	0.000	1	105.5614	8.490	6	106.9598	8.937	137	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:	N[5](C[5,6]C[5,6]C[6a]C[6])(C[5]C[5]HH)(CCHH)(H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]CH)(H)2	H(N[5]C[5,6]C[5]C)	N[5](C[5,6]C[5,6]C[6a]C[6])(C[5]C[5]HH)(CCHH)(H){1|C<4>,1|S<4>,3|C<3>,4|H<1>}	C[5](C[5]C[5,6]HH)(N[5]C[5,6]CH)(H)2{1|C<4>,1|S<4>,2|C<3>}	H(N[5]C[5,6]C[5]C)	106.9280	0.000	1	106.9280	0.000	1	105.5614	8.490	6	106.9598	8.937	137	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:B-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:	N[5](C[5]C[5]HH)2(BC[6a]3)(H)	C[5](C[5]C[5]HH)(N[5]C[5]BH)(H)2	H(N[5]C[5]2B)	N[5](C[5]C[5]HH)2(BC[6a]3)(H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]BH)(H)2{4|H<1>}	H(N[5]C[5]2B)	106.3755	0.014	4	106.3755	0.000	4	106.3755	0.000	4	106.9598	8.937	137	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H)	C[5](C[5]C[5]HN)(N[5]C[5]CH)(H)2	H(N[5]C[5]2C)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H){1|N<3>,3|H<1>}	C[5](C[5]C[5]HN)(N[5]C[5]CH)(H)2{1|C<4>,3|H<1>}	H(N[5]C[5]2C)	107.7920	0.000	1	107.7920	0.000	1	107.0372	9.051	107	106.9598	8.937	137	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]CH)(H)2	H(N[5]C[5]2C)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H){1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]CH)(H)2{1|C<3>,3|H<1>}	H(N[5]C[5]2C)	103.1660	0.000	1	103.1660	0.000	1	107.0372	9.051	107	106.9598	8.937	137	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H)	C[5](C[5]N[5a]C[5]H)(N[5]C[5]CH)(H)2	H(N[5]C[5]2C)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H){1|N<3>,3|H<1>}	C[5](C[5]N[5a]C[5]H)(N[5]C[5]CH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(N[5]C[5]2C)	109.7650	0.000	1	109.7650	0.000	1	107.0372	9.051	107	106.9598	8.937	137	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5]HH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2	H(N[5]C[5]2C)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5]HH)(H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2{1|C<4>,3|H<1>}	H(N[5]C[5]2C)	107.4200	0.000	1	107.4200	0.000	1	107.0372	9.051	107	106.9598	8.937	137	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]CH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]CH)(H)2	H(N[5]C[5]2C)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]CH)(H){2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]CH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(N[5]C[5]2C)	106.6920	0.000	1	106.6920	0.000	1	107.0372	9.051	107	106.9598	8.937	137	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2	H(N[5]C[5]2C)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH)(H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2{1|C<3>,3|H<1>}	H(N[5]C[5]2C)	108.5792	1.702	5	108.4770	2.381	6	107.0372	9.051	107	106.9598	8.937	137	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2	H(N[5]C[5]2C)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH)(H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2{1|C<4>,3|H<1>}	H(N[5]C[5]2C)	107.9660	0.000	1	108.4770	2.381	6	107.0372	9.051	107	106.9598	8.937	137	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2	H(N[5]C[5]2C)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2{1|C<3>,3|H<1>}	H(N[5]C[5]2C)	107.8280	0.000	1	107.2540	5.718	7	107.0372	9.051	107	106.9598	8.937	137	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2	H(N[5]C[5]2C)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2{1|C<4>,3|H<1>}	H(N[5]C[5]2C)	107.1583	2.605	6	107.2540	5.718	7	107.0372	9.051	107	106.9598	8.937	137	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5]HO)(N[5]C[5]CH)(H)2	H(N[5]C[5]2C)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H){1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]CH)(H)2{1|C<3>,3|H<1>}	H(N[5]C[5]2C)	105.2480	0.000	1	105.2480	0.000	1	107.0372	9.051	107	106.9598	8.937	137	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:	N[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2	H(N[5]C[5]2C)	N[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(CH3)(H){2|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2{1|C<3>,3|H<1>}	H(N[5]C[5]2C)	108.0360	0.417	2	108.0360	0.174	2	107.0372	9.051	107	106.9598	8.937	137	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:	N[5](C[5]C[5]HH)2(CCCH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2	H(N[5]C[5]2C)	N[5](C[5]C[5]HH)2(CCCH)(H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2{4|H<1>}	H(N[5]C[5]2C)	105.4549	1.700	8	105.4549	2.889	8	107.0372	9.051	107	106.9598	8.937	137	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:	N[5](C[5]C[5]HH)2(CCHH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2	H(N[5]C[5]2C)	N[5](C[5]C[5]HH)2(CCHH)(H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2{4|H<1>}	H(N[5]C[5]2C)	107.3180	1.606	26	107.3180	2.581	26	107.0372	9.051	107	106.9598	8.937	137	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:	N[5](C[5]C[5]HH)2(CC[5]HH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2	H(N[5]C[5]2C)	N[5](C[5]C[5]HH)2(CC[5]HH)(H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2{4|H<1>}	H(N[5]C[5]2C)	107.5150	0.621	4	107.5150	0.386	4	107.0372	9.051	107	106.9598	8.937	137	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:	N[5](C[5]C[5]HH)2(CC[5a]HH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2	H(N[5]C[5]2C)	N[5](C[5]C[5]HH)2(CC[5a]HH)(H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2{4|H<1>}	H(N[5]C[5]2C)	108.5785	0.047	2	108.5785	0.002	2	107.0372	9.051	107	106.9598	8.937	137	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:	N[5](C[5]C[5]HH)2(CC[6]HH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2	H(N[5]C[5]2C)	N[5](C[5]C[5]HH)2(CC[6]HH)(H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2{4|H<1>}	H(N[5]C[5]2C)	108.9989	4.041	10	108.9989	16.326	10	107.0372	9.051	107	106.9598	8.937	137	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:	N[5](C[5]C[5]HH)2(CC[6a]BC)(H)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2	H(N[5]C[5]2C)	N[5](C[5]C[5]HH)2(CC[6a]BC)(H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2{4|H<1>}	H(N[5]C[5]2C)	105.0730	3.135	2	105.0730	9.830	2	107.0372	9.051	107	106.9598	8.937	137	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:	N[5](C[5]C[5]HH)2(CC[6a]BH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2	H(N[5]C[5]2C)	N[5](C[5]C[5]HH)2(CC[6a]BH)(H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2{4|H<1>}	H(N[5]C[5]2C)	107.8942	1.892	4	107.8942	3.580	4	107.0372	9.051	107	106.9598	8.937	137	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:	N[5](C[5]C[5]HH)2(CC[6a]HH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2	H(N[5]C[5]2C)	N[5](C[5]C[5]HH)2(CC[6a]HH)(H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2{4|H<1>}	H(N[5]C[5]2C)	107.9125	1.538	6	107.9125	2.365	6	107.0372	9.051	107	106.9598	8.937	137	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:	N[5](C[5]C[5]HH)2(CH3)(H)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2	H(N[5]C[5]2C)	N[5](C[5]C[5]HH)2(CH3)(H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2{4|H<1>}	H(N[5]C[5]2C)	104.4620	5.270	15	104.4620	27.775	15	107.0372	9.051	107	106.9598	8.937	137	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:	N[5](C[5]C[5]HH)2(CHPP)(H)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2	H(N[5]C[5]2C)	N[5](C[5]C[5]HH)2(CHPP)(H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2{4|H<1>}	H(N[5]C[5]2C)	104.4605	0.457	2	104.4605	0.209	2	107.0372	9.051	107	106.9598	8.937	137	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:	N[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(CCHH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2	H(N[5]C[5]2C)	N[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(N[5]C[5]2C)	109.3980	1.515	3	108.7060	2.047	5	107.0372	9.051	107	106.9598	8.937	137	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:	N[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(CCHH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2	H(N[5]C[5]2C)	N[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(CCHH)(H){3|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2{2|C<3>,2|H<1>}	H(N[5]C[5]2C)	107.6680	0.076	2	108.7060	2.047	5	107.0372	9.051	107	106.9598	8.937	137	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2	H(N[5]C[5]2C)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CH3)(H){2|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(H)2{1|C<3>,3|H<1>}	H(N[5]C[5]2C)	107.7465	0.377	2	107.7465	0.142	2	107.0372	9.051	107	106.9598	8.937	137	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:	N[5](C[5]C[5]2H)(C[5]C[5]HH)2(H)	C[5](C[5]C[5]HH)(N[5]C[5]2H)(H)2	H(N[5]C[5]3)	N[5](C[5]C[5]2H)(C[5]C[5]HH)2(H){1|C<4>,2|C<3>,6|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]2H)(H)2{1|C<3>,1|C<4>,5|H<1>}	H(N[5]C[5]3)	106.5160	0.014	2	107.1973	19.128	7	107.1973	19.128	7	106.9598	8.937	137	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:	N[5](C[5]C[5]2H)(C[5]C[5]HH)2(H)	C[5](C[5]C[5]HH)(N[5]C[5]2H)(H)2	H(N[5]C[5]3)	N[5](C[5]C[5]2H)(C[5]C[5]HH)2(H){2|C<3>,7|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]2H)(H)2{2|C<4>,4|H<1>}	H(N[5]C[5]3)	116.5270	0.000	1	107.1973	19.128	7	107.1973	19.128	7	106.9598	8.937	137	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:	N[5](C[5]C[5]2H)(C[5]C[5]HH)2(H)	C[5](C[5]C[5]HH)(N[5]C[5]2H)(H)2	H(N[5]C[5]3)	N[5](C[5]C[5]2H)(C[5]C[5]HH)2(H){2|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]2H)(H)2{1|C<3>,1|C<4>,5|H<1>}	H(N[5]C[5]3)	103.6350	0.024	2	107.1973	19.128	7	107.1973	19.128	7	106.9598	8.937	137	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:	N[5](C[5]C[5]2H)(C[5]C[5]HH)2(H)	C[5](C[5]C[5]HH)(N[5]C[5]2H)(H)2	H(N[5]C[5]3)	N[5](C[5]C[5]2H)(C[5]C[5]HH)2(H){3|C<3>,6|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]2H)(H)2{1|C<3>,1|C<4>,5|H<1>}	H(N[5]C[5]3)	106.7760	1.030	2	107.1973	19.128	7	107.1973	19.128	7	106.9598	8.937	137	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C[6]-4:H-1:	N[5]-4:C[5]-4:H-1:H-1:	N[5]-4:	N[5](C[5]C[5]HH)2(C[6]C[6]2H)(H)	C[5](N[5]C[5]C[6]H)(C[5]C[5]HH)(H)2	H(N[5]C[5]2C[6])	N[5](C[5]C[5]HH)2(C[6]C[6]2H)(H){1|B<4>,2|C<4>,7|H<1>}	C[5](N[5]C[5]C[6]H)(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	H(N[5]C[5]2C[6])	105.2630	0.004	2	106.4758	1.964	4	106.4758	1.964	4	106.9598	8.937	137	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C[6]-4:H-1:	N[5]-4:C[5]-4:H-1:H-1:	N[5]-4:	N[5](C[5]C[5]HH)2(C[6]C[6]2H)(H)	C[5](N[5]C[5]C[6]H)(C[5]C[5]HH)(H)2	H(N[5]C[5]2C[6])	N[5](C[5]C[5]HH)2(C[6]C[6]2H)(H){3|C<4>,7|H<1>}	C[5](N[5]C[5]C[6]H)(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	H(N[5]C[5]2C[6])	107.6885	0.088	2	106.4758	1.964	4	106.4758	1.964	4	106.9598	8.937	137	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:S-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:	N[5](C[5]C[5]HH)2(SC[6a]OO)(H)	C[5](C[5]C[5]CH)(N[5]C[5]HS)(H)2	H(N[5]C[5]2S)	N[5](C[5]C[5]HH)2(SC[6a]OO)(H){1|H<1>,2|C<3>}	C[5](C[5]C[5]CH)(N[5]C[5]HS)(H)2{1|C<3>,2|H<1>}	H(N[5]C[5]2S)	102.8050	0.000	1	102.8050	0.000	1	102.8050	0.000	1	106.9598	8.937	137	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[5]-4:C[5]-4:H-1:	N[5]-4:C[5]-4:H-1:H-1:	N[5]-4:	N[5](C[6,6]C[3x6]C[6,6]H)(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5](N[5]C[6,6]C[5]H)(C[5]C[5]HH)(H)2	H(N[5]C[6,6]C[5]2)	N[5](C[6,6]C[3x6]C[6,6]H)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,6|H<1>}	C[5](N[5]C[6,6]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(N[5]C[6,6]C[5]2)	108.7300	0.000	1	108.7300	0.000	1	108.7300	0.000	1	106.9598	8.937	137	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[5]-4:C[5]-4:H-1:	N[5]-4:C[5]-4:H-1:H-1:	N[5]-4:	N[5](C[6]C[6,6a]C[6]H)(C[5]C[5]HH)2(H)	C[5](N[5]C[5]C[6]H)(C[5]C[5]HH)(H)2	H(N[5]C[5]2C[6])	N[5](C[6]C[6,6a]C[6]H)(C[5]C[5]HH)2(H){1|C<4>,2|C<3>,6|H<1>}	C[5](N[5]C[5]C[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,5|H<1>}	H(N[5]C[5]2C[6])	108.0400	1.987	2	108.0400	3.948	2	108.0400	3.948	2	106.9598	8.937	137	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:C-3:H-1:	N[5]-4:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(COO)(H)	H(N[5]C[5]2C)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H){1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(COO)(H){1|O<2>,3|H<1>}	H(N[5]C[5]2C)	112.2420	0.000	1	112.2420	0.000	1	107.8244	6.289	9	107.3531	5.452	15	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:C-3:H-1:	N[5]-4:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(COO)(H)	H(N[5]C[5]2C)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH)(H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(COO)(H){4|H<1>}	H(N[5]C[5]2C)	107.0456	1.960	5	107.0456	3.840	5	107.8244	6.289	9	107.3531	5.452	15	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:C-3:H-1:	N[5]-4:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(COO)(H)	H(N[5]C[5]2C)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H){1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(COO)(H){1|O<2>,3|H<1>}	H(N[5]C[5]2C)	110.1220	0.000	1	108.8950	3.011	2	107.8244	6.289	9	107.3531	5.452	15	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:C-3:H-1:	N[5]-4:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(COO)(H)	H(N[5]C[5]2C)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(COO)(H){4|H<1>}	H(N[5]C[5]2C)	107.6680	0.000	1	108.8950	3.011	2	107.8244	6.289	9	107.3531	5.452	15	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:C-3:H-1:	N[5]-4:	N[5](C[5]C[5]CH)2(CCHH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]CH)(COO)(H)	H(N[5]C[5]2C)	N[5](C[5]C[5]CH)2(CCHH)(H){2|H<1>,2|O<2>}	C[5](C[5]C[5]HO)(N[5]C[5]CH)(COO)(H){1|C<4>,1|O<2>,2|H<1>}	H(N[5]C[5]2C)	105.1600	0.000	1	105.1600	0.000	1	107.8244	6.289	9	107.3531	5.452	15	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:C[6]-3:H-1:	N[5]-4:	N[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(C[6]C[6]2)(H)	H(N[5]C[5]2C)	N[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(CH3)(H){2|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(C[6]C[6]2)(H){1|C<3>,1|N<3>,6|H<1>}	H(N[5]C[5]2C)	108.0575	0.470	2	108.0575	0.221	2	108.0575	0.221	2	107.3531	5.452	15	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-4:C[5]-3:H-1:	N[5]-4:	N[5](C[5]C[5]2H)(C[5]C[5]HH)2(H)	C[5](C[5]C[5]CC)(N[5]C[5]2H)(C[5]C[5]C)(H)	H(N[5]C[5]3)	N[5](C[5]C[5]2H)(C[5]C[5]HH)2(H){2|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[5]CC)(N[5]C[5]2H)(C[5]C[5]C)(H){2|C<4>,7|H<1>}	H(N[5]C[5]3)	103.5600	0.000	1	103.5600	0.000	1	105.0083	2.200	3	107.3531	5.452	15	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-4:C[5]-3:H-1:	N[5]-4:	N[5](C[5]C[5]2H)(C[5]C[5]HH)2(H)	C[5](C[5]C[5]CH)(N[5]C[5]2H)(C[5]C[5]H)(H)	H(N[5]C[5]3)	N[5](C[5]C[5]2H)(C[5]C[5]HH)2(H){1|C<4>,2|C<3>,6|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]2H)(C[5]C[5]H)(H){1|O<1>,2|C<4>,5|H<1>}	H(N[5]C[5]3)	106.5240	0.000	1	106.5240	0.000	1	105.0083	2.200	3	107.3531	5.452	15	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-4:C[5]-3:H-1:	N[5]-4:	N[5](C[5]C[5]2H)(C[5]C[5]HH)2(H)	C[5](C[5]C[5]C[6]H)(N[5]C[5]2H)(C[5]C[5]H)(H)	H(N[5]C[5]3)	N[5](C[5]C[5]2H)(C[5]C[5]HH)2(H){3|C<3>,6|H<1>}	C[5](C[5]C[5]C[6]H)(N[5]C[5]2H)(C[5]C[5]H)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	H(N[5]C[5]3)	104.9410	0.000	1	104.9410	0.000	1	105.0083	2.200	3	107.3531	5.452	15	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:4:1:	4:4:3:1:	4:	C[6,6]-4:C[5]-4:C[5]-4:H-1:	N[5]-4:C[5]-4:C-3:H-1:	N[5]-4:	N[5](C[6,6]C[3x6]C[6,6]H)(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5](N[5]C[6,6]C[5]H)(C[5]C[5]HH)(COO)(H)	H(N[5]C[6,6]C[5]2)	N[5](C[6,6]C[3x6]C[6,6]H)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,6|H<1>}	C[5](N[5]C[6,6]C[5]H)(C[5]C[5]HH)(COO)(H){2|C<4>,5|H<1>}	H(N[5]C[6,6]C[5]2)	108.7360	0.000	1	108.7360	0.000	1	108.7360	0.000	1	107.3531	5.452	15	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:C-4:H-1:	N[5]-4:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(CCHH)(H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]CH)(CHHO)(H)	H(N[5]C[5,6]C[5]C)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(CCHH)(H){3|H<1>,4|C<4>}	C[5](C[5]C[5,6]HH)(N[5]C[5,6]CH)(CHHO)(H){2|C<4>,2|H<1>}	H(N[5]C[5,6]C[5]C)	107.8960	0.000	1	107.8960	0.000	1	107.8960	0.000	1	106.3660	11.099	17	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:N[5]-4:C-4:H-1:	N[5]-4:	N[5](C[5]C[5,5]CH)2(CC3)(H)	C[5](C[5,5]C[5,5]C[5]Fe)(N[5]C[5]CH)(CBHH)(H)	H(N[5]C[5]2C)	N[5](C[5]C[5,5]CH)2(CC3)(H){1|Fe<10>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]Fe)(N[5]C[5]CH)(CBHH)(H){2|H<1>,3|C<4>}	H(N[5]C[5]2C)	103.4640	0.000	1	103.4640	0.000	1	106.5735	19.338	2	106.3660	11.099	17	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:N[5]-4:C-4:H-1:	N[5]-4:	N[5](C[5]C[5,5]CH)2(CC3)(H)	C[5](C[5,5]C[5,5]C[5]Fe)(N[5]C[5]CH)(CCHH)(H)	H(N[5]C[5]2C)	N[5](C[5]C[5,5]CH)2(CC3)(H){1|Fe<10>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]Fe)(N[5]C[5]CH)(CCHH)(H){2|H<1>,3|C<4>}	H(N[5]C[5]2C)	109.6830	0.000	1	109.6830	0.000	1	106.5735	19.338	2	106.3660	11.099	17	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:C-4:H-1:	N[5]-4:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(CHHN)(H)	H(N[5]C[5]2C)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H){1|N<3>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(CHHN)(H){1|N<3>,3|H<1>}	H(N[5]C[5]2C)	107.5780	0.000	1	107.5780	0.000	1	106.9695	9.897	12	106.3660	11.099	17	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:C-4:H-1:	N[5]-4:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(CHHO)(H)	H(N[5]C[5]2C)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H){1|N<3>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(CHHO)(H){1|N<3>,3|H<1>}	H(N[5]C[5]2C)	107.8010	0.000	1	107.8010	0.000	1	106.9695	9.897	12	106.3660	11.099	17	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:C-4:H-1:	N[5]-4:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5]HH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(CHHO)(H)	H(N[5]C[5]2C)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5]HH)(H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(CHHO)(H){4|H<1>}	H(N[5]C[5]2C)	107.4030	0.000	1	107.4030	0.000	1	106.9695	9.897	12	106.3660	11.099	17	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:C-4:H-1:	N[5]-4:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]CH)(H)	C[5](C[5]C[5]CH)(N[5]C[5]CH)(CCHH)(H)	H(N[5]C[5]2C)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]CH)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]CH)(CCHH)(H){1|C<3>,3|H<1>}	H(N[5]C[5]2C)	106.7440	0.000	1	106.7440	0.000	1	106.9695	9.897	12	106.3660	11.099	17	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:C-4:H-1:	N[5]-4:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(CCHS)(H)	H(N[5]C[5]2C)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH)(H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(CCHS)(H){4|H<1>}	H(N[5]C[5]2C)	107.8440	0.000	1	107.8440	0.000	1	106.9695	9.897	12	106.3660	11.099	17	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:C-4:H-1:	N[5]-4:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(CCHH)(H)	H(N[5]C[5]2C)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(CCHH)(H){4|H<1>}	H(N[5]C[5]2C)	106.6170	3.215	4	106.6170	10.337	4	106.9695	9.897	12	106.3660	11.099	17	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:C-4:H-1:	N[5]-4:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(CC[5a]HH)(H)	H(N[5]C[5]2C)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(CC[5a]HH)(H){4|H<1>}	H(N[5]C[5]2C)	100.1450	0.000	1	100.1450	0.000	1	106.9695	9.897	12	106.3660	11.099	17	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:C-4:H-1:	N[5]-4:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(CHHO)(H)	H(N[5]C[5]2C)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]CH)(CHHO)(H){4|H<1>}	H(N[5]C[5]2C)	112.3160	0.000	1	112.3160	0.000	1	106.9695	9.897	12	106.3660	11.099	17	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:C-4:H-1:	N[5]-4:	N[5](C[5]C[5]CH)2(CCHH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]CH)(CHHO)(H)	H(N[5]C[5]2C)	N[5](C[5]C[5]CH)2(CCHH)(H){2|H<1>,2|O<2>}	C[5](C[5]C[5]HO)(N[5]C[5]CH)(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	H(N[5]C[5]2C)	107.3350	0.000	1	107.3350	0.000	1	106.9695	9.897	12	106.3660	11.099	17	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:N[5]-4:H-1:	N[5]-4:	N[5](C[5]C[5]2H)(C[5]C[5]HH)2(H)	C[5](C[5]C[5,6a]HH)2(N[5]C[5]2H)(H)	H(N[5]C[5]3)	N[5](C[5]C[5]2H)(C[5]C[5]HH)2(H){2|C<3>,7|H<1>}	C[5](C[5]C[5,6a]HH)2(N[5]C[5]2H)(H){1|C<4>,3|C<3>,4|H<1>}	H(N[5]C[5]3)	101.3370	0.000	1	101.3370	0.000	1	101.3370	0.000	1	106.3660	11.099	17	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:S-4:H-1:	C[5]-4:N[5]-4:C-4:H-1:	N[5]-4:	N[5](C[5]C[5a]C[5]H)(C[5]C[5]CH)(SC[6a]OO)(H)	C[5](C[5]C[5]HH)(N[5]C[5]HS)(CH3)(H)	H(N[5]C[5]2S)	N[5](C[5]C[5a]C[5]H)(C[5]C[5]CH)(SC[6a]OO)(H){1|C<3>,1|S<2>,4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HS)(CH3)(H){1|C<3>,3|H<1>}	H(N[5]C[5]2S)	102.2080	0.000	1	102.2080	0.000	1	102.2080	0.000	1	106.3660	11.099	17	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	5:4:1:1:	4:4:1:1:	4:	Ga[3x5]-5:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	N[5]-4:	N[5](Ga[3x5]N[5,5]N[5]O[5]2)(C[5]C[5]HH)(H)2	C[5](N[5]Ga[3x5]HH)(C[5]N[5,5]HH)(H)2	H(N[5]Ga[3x5]C[5]H)	N[5](Ga[3x5]N[5,5]N[5]O[5]2)(C[5]C[5]HH)(H)2{2|C<3>,3|C<4>,4|H<1>}	C[5](N[5]Ga[3x5]HH)(C[5]N[5,5]HH)(H)2{1|N<4>,2|C<4>,2|O<2>}	H(N[5]Ga[3x5]C[5]H)	109.7987	0.117	4	109.7987	0.014	4	109.7987	0.014	4	109.7987	0.014	4	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	5:4:4:1:	4:4:4:1:	4:	Si[5,5]-5:C[5]-4:C-4:H-1:	C[5]-4:N[5]-4:C-4:H-1:	N[5]-4:	N[5](Si[5,5]C[6a]N[5]O[5]2)(C[5]C[5]CH)(CH3)(H)	C[5](C[5]C[6a]O[5]H)(N[5]Si[5,5]CH)(CH3)(H)	H(N[5]Si[5,5]C[5]C)	N[5](Si[5,5]C[6a]N[5]O[5]2)(C[5]C[5]CH)(CH3)(H){1|H<1>,1|N<2>,5|C<3>}	C[5](C[5]C[6a]O[5]H)(N[5]Si[5,5]CH)(CH3)(H){1|N<3>,1|O<2>,3|C<3>}	H(N[5]Si[5,5]C[5]C)	106.2280	0.000	1	106.2280	0.000	1	106.2280	0.000	1	106.2280	0.000	1	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	6:4:1:1:	4:4:1:1:	4:	Ge[5]-6:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	N[5]-4:	N[5](Ge[5]N[5]O4)(C[5]C[5]HH)(H)2	C[5](N[5]Ge[5]HH)(C[5]N[5]HH)(H)2	H(N[5]Ge[5]C[5]H)	N[5](Ge[5]N[5]O4)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](N[5]Ge[5]HH)(C[5]N[5]HH)(H)2{2|H<1>,4|O<2>}	H(N[5]Ge[5]C[5]H)	109.9025	0.117	2	109.9025	0.014	2	109.9025	0.014	2	109.2030	0.659	4	109.4947	7.372	928	109.3703	7.282	1327
999	474	951	0:SP3_SP-NON_SP3	N[5]	C[5]	H	6:4:1:1:	4:4:1:1:	4:	In[3x5]-6:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	N[5]-4:	N[5](In[3x5]N[5,5]2N[5]Te2)(C[5]C[5]HH)(H)2	C[5](N[5]In[3x5]HH)(C[5]N[5,5]HH)(H)2	H(N[5]In[3x5]C[5]H)	N[5](In[3x5]N[5,5]2N[5]Te2)(C[5]C[5]HH)(H)2{4|C<4>,6|H<1>}	C[5](N[5]In[3x5]HH)(C[5]N[5,5]HH)(H)2{2|Te<2>,1|C<4>,1|H<1>,2|N<4>}	H(N[5]In[3x5]C[5]H)	108.5035	0.080	2	108.5035	0.006	2	108.5035	0.006	2	109.2030	0.659	4	109.4947	7.372	928	109.3703	7.282	1327
999	474	952	0:SP3_SP3_SP3	N[5]	C[5]	S	4:4:4:1:	3:4:4:1:	3:4:1:1:	C[5]-4:C[5]-4:S-4:H-1:	C[5a]-3:C[5]-4:N[5]-4:H-1:	C[6a]-3:N[5]-4:O-1:O-1:	N[5](C[5]C[5a]C[5]H)(C[5]C[5]CH)(SC[6a]OO)(H)	C[5](C[5a]C[5a]S[5a])(C[5]C[5]HH)(N[5]C[5]HS)(H)	S(C[6a]C[6a]2)(N[5]C[5]2H)(O)2	N[5](C[5]C[5a]C[5]H)(C[5]C[5]CH)(SC[6a]OO)(H){1|C<3>,1|S<2>,4|H<1>}	C[5](C[5a]C[5a]S[5a])(C[5]C[5]HH)(N[5]C[5]HS)(H){1|C<4>,2|C<3>,4|H<1>}	S(C[6a]C[6a]2)(N[5]C[5]2H)(O)2	117.0730	0.000	1	117.0730	0.000	1	117.0730	0.000	1	118.3385	3.203	2	118.3277	1.739	6	118.3277	1.739	6
999	474	952	0:SP3_SP3_SP3	N[5]	C[5]	S	4:4:4:1:	3:4:4:1:	3:4:1:1:	C[5]-4:C[5]-4:S-4:H-1:	C[6]-3:N[5]-4:N[5]-4:H-1:	C[6a]-3:N[5]-4:O-1:O-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[6]N[5]H)(SC[6a]OO)(H)	C[5](C[6]C[6]N[6])(N[5]C[5]FeH)(N[5]C[5]HS)(H)	S(C[6a]C[6a]2)(N[5]C[5]2H)(O)2	N[5](C[5]C[6a]C[5]H)(C[5]C[6]N[5]H)(SC[6a]OO)(H){1|Fe<6>,1|N<3>,2|H<1>,4|C<3>}	C[5](C[6]C[6]N[6])(N[5]C[5]FeH)(N[5]C[5]HS)(H){3|H<1>,4|C<3>}	S(C[6a]C[6a]2)(N[5]C[5]2H)(O)2	119.6040	0.000	1	119.6040	0.000	1	119.6040	0.000	1	118.3385	3.203	2	118.3277	1.739	6	118.3277	1.739	6
999	474	952	0:SP3_SP3_SP3	N[5]	C[5]	S	4:4:4:1:	4:3:1:1:	3:4:1:1:	C[5]-4:C[5]-4:S-4:H-1:	N[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:N[5]-4:O-1:O-1:	N[5](C[5]C[5]HH)2(SC[6a]OO)(H)	C[5](N[5]C[5]HS)(C[5]C[5]C)(H)2	S(C[6a]C[6a]2)(N[5]C[5]2H)(O)2	N[5](C[5]C[5]HH)2(SC[6a]OO)(H){1|H<1>,2|C<3>}	C[5](N[5]C[5]HS)(C[5]C[5]C)(H)2{1|C<3>,3|H<1>}	S(C[6a]C[6a]2)(N[5]C[5]2H)(O)2	118.2540	0.000	1	118.2540	0.000	1	118.2540	0.000	1	118.2540	0.000	1	118.3277	1.739	6	118.3277	1.739	6
999	474	952	0:SP3_SP3_SP3	N[5]	C[5]	S	4:4:4:1:	4:3:4:1:	3:4:1:1:	C[5]-4:C[5]-4:S-4:H-1:	C[5]-4:C[6a]-3:N[5]-4:H-1:	C[6a]-3:N[5]-4:O-1:O-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[6]N[5]H)(SC[6a]OO)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]HS)(H)	S(C[6a]C[6a]2)(N[5]C[5]2H)(O)2	N[5](C[5]C[6a]C[5]H)(C[5]C[6]N[5]H)(SC[6a]OO)(H){1|Fe<6>,1|N<3>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]HS)(H){1|Fe<6>,4|H<1>,5|C<3>}	S(C[6a]C[6a]2)(N[5]C[5]2H)(O)2	116.6010	0.000	1	116.6010	0.000	1	116.6010	0.000	1	116.6010	0.000	1	118.3277	1.739	6	118.3277	1.739	6
999	474	952	0:SP3_SP3_SP3	N[5]	C[5]	S	4:4:4:1:	4:4:1:1:	3:4:1:1:	C[5]-4:C[5]-4:S-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[6a]-3:N[5]-4:O-1:O-1:	N[5](C[5]C[5]HH)2(SC[6a]OO)(H)	C[5](C[5]C[5]CH)(N[5]C[5]HS)(H)2	S(C[6a]C[6a]2)(N[5]C[5]2H)(O)2	N[5](C[5]C[5]HH)2(SC[6a]OO)(H){1|H<1>,2|C<3>}	C[5](C[5]C[5]CH)(N[5]C[5]HS)(H)2{1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(N[5]C[5]2H)(O)2	119.8960	0.000	1	119.8960	0.000	1	119.8960	0.000	1	119.8960	0.000	1	118.3277	1.739	6	118.3277	1.739	6
999	474	952	0:SP3_SP3_SP3	N[5]	C[5]	S	4:4:4:1:	4:4:4:1:	3:4:1:1:	C[5]-4:C[5]-4:S-4:H-1:	C[5]-4:N[5]-4:C-4:H-1:	C[6a]-3:N[5]-4:O-1:O-1:	N[5](C[5]C[5a]C[5]H)(C[5]C[5]CH)(SC[6a]OO)(H)	C[5](C[5]C[5]HH)(N[5]C[5]HS)(CH3)(H)	S(C[6a]C[6a]2)(N[5]C[5]2H)(O)2	N[5](C[5]C[5a]C[5]H)(C[5]C[5]CH)(SC[6a]OO)(H){1|C<3>,1|S<2>,4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HS)(CH3)(H){1|C<3>,3|H<1>}	S(C[6a]C[6a]2)(N[5]C[5]2H)(O)2	118.5380	0.000	1	118.5380	0.000	1	118.5380	0.000	1	118.5380	0.000	1	118.3277	1.739	6	118.3277	1.739	6
999	474	960	5:SP3_SP2_SP3	N[5,6]	C[5]	N[5]	4:4:4:2:	4:4:1:1:	4:3:	C[5]-4:C[6]-4:C[6]-4:N[5]-2:	N[5,6]-4:C[5]-4:H-1:H-1:	N[5,6]-4:C[5]-3:	N[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(N[5]C[5])	C[5](N[5,6]C[6]2N[5])(C[5]C[5]HO)(H)2	N[5](N[5,6]C[5]C[6]2)(C[5]C[5]O)	N[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(N[5]C[5]){1|O<1>,2|O<2>,5|H<1>}	C[5](N[5,6]C[6]2N[5])(C[5]C[5]HO)(H)2{1|O<1>,2|C<4>,4|H<1>}	N[5](N[5,6]C[5]C[6]2)(C[5]C[5]O){1|O<2>,2|C<4>,7|H<1>}	106.2300	0.000	1	106.2300	0.000	1	106.2300	0.000	1	106.2300	0.000	1	106.2300	0.000	1	106.4885	0.134	2
999	474	960	5:SP3_SP2_SP3	N[5]	C[5]	N[5]	4:2:4:4:	4:4:3:2:	3:4:	C[5]-4:N[5]-2:C-4:C-4:	C[5]-4:N[5]-4:C-3:O-2:	C[5]-3:N[5]-4:	N[5](C[5]C[5]CO)(N[5]C[5])(CH3)2	C[5](C[5]C[5]CH)(N[5]N[5]CC)(COO)(OH)	N[5](C[5]C[6a]C[5])(N[5]C[5]CC)	N[5](C[5]C[5]CO)(N[5]C[5])(CH3)2{1|H<1>,2|C<3>}	C[5](C[5]C[5]CH)(N[5]N[5]CC)(COO)(OH){1|C<3>}	N[5](C[5]C[6a]C[5])(N[5]C[5]CC){1|H<1>,1|O<2>,4|C<3>}	106.7470	0.000	1	106.7470	0.000	1	106.7470	0.000	1	106.7470	0.000	1	106.7470	0.000	1	106.4885	0.134	2
999	474	976	5:SP3_SP2_SP3	N[5]	C[5]	O[5]	4:4:2:1:	3:3:4:2:	4:3:	C[5]-4:C-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:N[5]-4:N[5]-2:	N[5]-4:C[5]-3:	N[5](C[5]C[6a]2N[5])(CC[6a]HH)(O[5]C[5])(H)	C[5](C[6a]C[6a]2)2(N[5]O[5]CH)(N[5]C[5])	O[5](N[5]C[5]CH)(C[5]N[5]N)	N[5](C[5]C[6a]2N[5])(CC[6a]HH)(O[5]C[5])(H){1|N<3>,4|C<3>}	C[5](C[6a]C[6a]2)2(N[5]O[5]CH)(N[5]C[5]){1|N<3>,4|C<3>,4|H<1>}	O[5](N[5]C[5]CH)(C[5]N[5]N){2|C<3>}	100.3270	0.000	1	100.3270	0.000	1	100.3270	0.000	1	100.3270	0.000	1	100.3270	0.000	1	100.3270	0.000	1
999	474	976	5:SP3_SP3_SP3	N[5,6]	C[5,6]	O[5,6]	4:2:4:4:	4:4:4:1:	4:4:	C[5,6]-4:O[5,6]-2:C[6]-4:C-4:	C[5,6,6]-4:N[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:N[5,6]-4:	N[5,6](C[5,6]C[5,6,6]C[6]H)(O[5,6]C[5,6,6])(C[6]C[6,6]HH)(CH3)	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(N[5,6]O[5,6]C[6]C)(C[6]C[5a,6]HH)(H)	O[5,6](C[5,6,6]C[5,6,6]C[6,6]C)(N[5,6]C[5,6]C[6]C)	N[5,6](C[5,6]C[5,6,6]C[6]H)(O[5,6]C[5,6,6])(C[6]C[6,6]HH)(CH3){2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(N[5,6]O[5,6]C[6]C)(C[6]C[5a,6]HH)(H){3|C<3>,3|C<4>,3|H<1>}	O[5,6](C[5,6,6]C[5,6,6]C[6,6]C)(N[5,6]C[5,6]C[6]C){3|C<4>,6|H<1>}	100.3930	0.000	1	100.3930	0.000	1	100.3930	0.000	1	100.3930	0.000	1	100.3930	0.000	1	104.8277	8.329	9
999	474	976	5:SP3_SP3_SP3	N[5,6]	C[5,6]	O[5]	4:4:2:1:	4:4:4:4:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	N[5,6]-4:C[5]-4:C[6]-4:C-4:	N[5,6]-4:C[5]-4:	N[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(O[5]C[5])(H)	C[5,6](N[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CCHH)	O[5](N[5,6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)	N[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,7|H<1>}	C[5,6](N[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CCHH){1|C<3>,1|C<4>,5|H<1>}	O[5](N[5,6]C[5,6]C[6]H)(C[5]C[6a]C[5]H){2|C<3>,3|C<4>,4|H<1>}	106.5555	0.050	2	106.5555	0.003	2	106.5555	0.003	2	106.5555	0.003	2	106.5555	0.003	2	104.8277	8.329	9
999	474	976	5:SP3_SP3_SP3	N[5]	C[5,6]	O[5]	4:2:1:1:	3:4:4:1:	4:4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[6,6a]-3:C[5,6]-4:N[5]-4:H-1:	C[5]-4:N[5]-4:	N[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5])(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]O[5]HH)(H)	O[5](C[5]C[5,6]HH)(N[5]C[5,6]HH)	N[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5])(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]O[5]HH)(H){1|O<2>,2|C<3>,5|H<1>}	O[5](C[5]C[5,6]HH)(N[5]C[5,6]HH){1|C<3>,1|C<4>,2|H<1>}	109.0810	0.000	1	109.0810	0.000	1	109.0810	0.000	1	109.0810	0.000	1	106.6190	5.760	3	104.8277	8.329	9
999	474	976	5:SP3_SP3_SP3	N[5]	C[5,6]	O[5]	4:2:4:1:	4:4:4:1:	4:4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6]-4:C[6]-4:N[5]-4:H-1:	C[5]-4:N[5]-4:	N[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]O[5]CH)(H)	O[5](C[5]C[5,6]HH)(N[5]C[5,6]CH)	N[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3)(H){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]O[5]CH)(H){1|C<3>,1|N<3>,5|H<1>}	O[5](C[5]C[5,6]HH)(N[5]C[5,6]CH){2|C<4>,2|H<1>}	106.4900	0.000	1	106.4900	0.000	1	106.4900	0.000	1	106.4900	0.000	1	106.6190	5.760	3	104.8277	8.329	9
999	474	976	5:SP3_SP3_SP3	N[5]	C[5,6]	O[5]	4:2:4:4:	4:4:4:1:	4:4:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5,6]-4:C[6]-4:N[5]-4:H-1:	C[5]-4:N[5]-4:	N[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(N[5]O[5]CC)(H)	O[5](C[5]C[5,6]HH)(N[5]C[5,6]CC)	N[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3)2{2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(N[5]O[5]CC)(H){1|C<3>,1|N<3>,5|H<1>}	O[5](C[5]C[5,6]HH)(N[5]C[5,6]CC){2|C<4>,2|H<1>}	104.2860	0.000	1	104.2860	0.000	1	104.2860	0.000	1	104.2860	0.000	1	106.6190	5.760	3	104.8277	8.329	9
999	474	976	5:SP3_SP3_SP3	N[5]	C[5]	O[5]	4:2:4:1:	3:4:4:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[6a]-3:C[5]-4:N[5]-4:H-1:	C[5]-4:N[5]-4:	N[5](C[5]C[6a]C[5]H)(O[5]C[5])(CH3)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(N[5]O[5]CH)(H)	O[5](C[5]C[5]HS)(N[5]C[5]CH)	N[5](C[5]C[6a]C[5]H)(O[5]C[5])(CH3)(H){2|C<3>,2|H<1>,2|S<4>}	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(N[5]O[5]CH)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	O[5](C[5]C[5]HS)(N[5]C[5]CH){1|C<3>,1|S<4>,2|H<1>}	100.5590	0.000	1	100.5590	0.000	1	100.5590	0.000	1	100.5590	0.000	1	103.3627	6.705	3	104.8277	8.329	9
999	474	976	5:SP3_SP3_SP3	N[5]	C[5]	O[5]	4:2:4:1:	4:4:4:4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:N[5]-4:C-4:C-4:	C[5]-4:N[5]-4:	N[5](C[5]C[5]CC)(O[5]C[5])(CH3)(H)	C[5](C[5]C[5]HH)(N[5]O[5]CH)(CCHO)(CH3)	O[5](C[5]C[5]HH)(N[5]C[5]CH)	N[5](C[5]C[5]CC)(O[5]C[5])(CH3)(H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]O[5]CH)(CCHO)(CH3){2|H<1>}	O[5](C[5]C[5]HH)(N[5]C[5]CH){2|C<4>,2|H<1>}	105.6640	0.000	1	105.6640	0.000	1	105.6640	0.000	1	105.6640	0.000	1	103.3627	6.705	3	104.8277	8.329	9
999	474	976	5:SP3_SP3_SP3	N[5]	C[5]	O[5]	4:2:4:4:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:C-4:	N[5]-4:O[5]-2:H-1:H-1:	B[5]-4:N[5]-4:	N[5](C[5]O[5]HH)(O[5]B[5])(CCCH)(CCHH)	C[5](N[5]O[5]CC)(O[5]B[5])(H)2	O[5](B[5]C[6a]2O[5])(N[5]C[5]CC)	N[5](C[5]O[5]HH)(O[5]B[5])(CCCH)(CCHH){2|C<3>}	C[5](N[5]O[5]CC)(O[5]B[5])(H)2{2|C<3>}	O[5](B[5]C[6a]2O[5])(N[5]C[5]CC){2|H<1>,4|C<3>}	103.8650	0.000	1	103.8650	0.000	1	103.8650	0.000	1	103.8650	0.000	1	103.3627	6.705	3	104.8277	8.329	9
999	478	951	0:SP3_SP-NON_SP3	N[5,5]	C[4,5,5]	H	4:4:1:1:	4:4:4:2:	4:	C[4,5,5]-4:C[5,5]-4:H-1:H-1:	C[4,5]-4:C[4,5]-4:N[5,5]-4:C-2:	N[5,5]-4:	N[5,5](C[4,5,5]C[4,5]2C)(C[5,5]C[4,5,5]HH)(H)2	C[4,5,5](C[4,5]C[4,5,5]HH)2(N[5,5]C[5,5]HH)(CC)	H(N[5,5]C[4,5,5]C[5,5]H)	N[5,5](C[4,5,5]C[4,5]2C)(C[5,5]C[4,5,5]HH)(H)2{5|H<1>}	C[4,5,5](C[4,5]C[4,5,5]HH)2(N[5,5]C[5,5]HH)(CC){3|H<1>}	H(N[5,5]C[4,5,5]C[5,5]H)	111.8385	1.616	2	111.8385	2.611	2	111.8385	2.611	2	111.8385	2.611	2	111.3237	2.547	10	111.0547	2.648	12
999	478	951	0:SP3_SP-NON_SP3	N[5,5]	C[4,5,5]	H	4:4:1:1:	4:4:4:4:	4:	C[4,5,5]-4:C[5,5]-4:H-1:H-1:	C[4,5]-4:C[4,5]-4:N[5,5]-4:C-4:	N[5,5]-4:	N[5,5](C[4,5,5]C[4,5]2C)(C[5,5]C[4,5,5]HH)(H)2	C[4,5,5](C[4,5]C[4,5,5]HH)2(N[5,5]C[5,5]HH)(CCHH)	H(N[5,5]C[4,5,5]C[5,5]H)	N[5,5](C[4,5,5]C[4,5]2C)(C[5,5]C[4,5,5]HH)(H)2{5|H<1>}	C[4,5,5](C[4,5]C[4,5,5]HH)2(N[5,5]C[5,5]HH)(CCHH){3|H<1>}	H(N[5,5]C[4,5,5]C[5,5]H)	111.3620	0.011	2	111.3620	0.000	2	111.1950	2.807	8	111.1950	2.807	8	111.3237	2.547	10	111.0547	2.648	12
999	478	951	0:SP3_SP-NON_SP3	N[5,5]	C[4,5,5]	H	4:4:1:1:	4:4:4:4:	4:	C[4,5,5]-4:C[5,5]-4:H-1:H-1:	C[4,5]-4:C[4,5]-4:N[5,5]-4:C-4:	N[5,5]-4:	N[5,5](C[4,5,5]C[4,5]2C)(C[5,5]C[4,5,5]HH)(H)2	C[4,5,5](C[4,5]C[4,5,5]HH)2(N[5,5]C[5,5]HH)(CF3)	H(N[5,5]C[4,5,5]C[5,5]H)	N[5,5](C[4,5,5]C[4,5]2C)(C[5,5]C[4,5,5]HH)(H)2{5|H<1>}	C[4,5,5](C[4,5]C[4,5,5]HH)2(N[5,5]C[5,5]HH)(CF3){3|H<1>}	H(N[5,5]C[4,5,5]C[5,5]H)	110.7325	3.976	2	110.7325	15.809	2	111.1950	2.807	8	111.1950	2.807	8	111.3237	2.547	10	111.0547	2.648	12
999	478	951	0:SP3_SP-NON_SP3	N[5,5]	C[4,5,5]	H	4:4:1:1:	4:4:4:4:	4:	C[4,5,5]-4:C[5,5]-4:H-1:H-1:	C[4,5]-4:C[4,5]-4:N[5,5]-4:C-4:	N[5,5]-4:	N[5,5](C[4,5,5]C[4,5]2C)(C[5,5]C[4,5,5]HH)(H)2	C[4,5,5](C[4,5]C[4,5,5]HH)2(N[5,5]C[5,5]HH)(CFFH)	H(N[5,5]C[4,5,5]C[5,5]H)	N[5,5](C[4,5,5]C[4,5]2C)(C[5,5]C[4,5,5]HH)(H)2{5|H<1>}	C[4,5,5](C[4,5]C[4,5,5]HH)2(N[5,5]C[5,5]HH)(CFFH){3|H<1>}	H(N[5,5]C[4,5,5]C[5,5]H)	111.1855	1.780	2	111.1855	3.168	2	111.1950	2.807	8	111.1950	2.807	8	111.3237	2.547	10	111.0547	2.648	12
999	478	951	0:SP3_SP-NON_SP3	N[5,5]	C[4,5,5]	H	4:4:1:1:	4:4:4:4:	4:	C[4,5,5]-4:C[5,5]-4:H-1:H-1:	C[4,5]-4:C[4,5]-4:N[5,5]-4:C-4:	N[5,5]-4:	N[5,5](C[4,5,5]C[4,5]2C)(C[5,5]C[4,5,5]HH)(H)2	C[4,5,5](C[4,5]C[4,5,5]HH)2(N[5,5]C[5,5]HH)(CFHH)	H(N[5,5]C[4,5,5]C[5,5]H)	N[5,5](C[4,5,5]C[4,5]2C)(C[5,5]C[4,5,5]HH)(H)2{5|H<1>}	C[4,5,5](C[4,5]C[4,5,5]HH)2(N[5,5]C[5,5]HH)(CFHH){3|H<1>}	H(N[5,5]C[4,5,5]C[5,5]H)	111.5000	0.042	2	111.5000	0.002	2	111.1950	2.807	8	111.1950	2.807	8	111.3237	2.547	10	111.0547	2.648	12
999	478	951	0:SP3_SP-NON_SP3	N[5]	C[4,5]	H	4:4:1:1:	4:3:4:4:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[4,5]-4:C[6a]-3:C[4]-4:N[5]-4:	N[5]-4:	N[5](C[4,5]C[4,5]C[6a]C[4])(C[5]C[5]HH)(H)2	C[4,5](C[4,5]C[4]C[5]H)(C[6a]C[6a]2)(C[4]C[4]HH)(N[5]C[5]HH)	H(N[5]C[4,5]C[5]H)	N[5](C[4,5]C[4,5]C[6a]C[4])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,5|H<1>}	C[4,5](C[4,5]C[4]C[5]H)(C[6a]C[6a]2)(C[4]C[4]HH)(N[5]C[5]HH){2|C<3>,8|H<1>}	H(N[5]C[4,5]C[5]H)	109.7100	1.368	2	109.7100	1.870	2	109.7100	1.870	2	109.7100	1.870	2	109.7100	1.870	2	111.0547	2.648	12
999	486	490	0:SP3_SP3_SP3	N[5]	C[3,5]	C	4:4:4:1:	4:4:4:4:	4:3:1:1:	C[3,5]-4:C[5]-4:C-4:H-1:	C[3,5]-4:C[3]-4:N[5]-4:C-4:	N[5]-4:C[6a]-3:H-1:H-1:	N[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HH)(CC[6a]HH)(H)	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]CH)(N[5]C[5]CH)(CH3)	C(N[5]C[3,5]C[5]H)(C[6a]C[6a]2)(H)2	N[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HH)(CC[6a]HH)(H){1|C<3>,2|C<4>,2|H<1>}	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]CH)(N[5]C[5]CH)(CH3){1|C<3>,3|H<1>}	C(N[5]C[3,5]C[5]H)(C[6a]C[6a]2)(H)2	112.9710	0.000	1	112.9710	0.000	1	112.9710	0.000	1	112.9710	0.000	1	112.9710	0.000	1	112.9710	0.000	1
999	486	951	0:SP3_SP-NON_SP3	N[5]	C[3,5]	H	4:4:4:1:	4:4:4:4:	4:	C[3,5]-4:C[5]-4:C-4:H-1:	C[3,5]-4:C[3]-4:N[5]-4:C-4:	N[5]-4:	N[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HH)(CC[6a]HH)(H)	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]CH)(N[5]C[5]CH)(CH3)	H(N[5]C[3,5]C[5]C)	N[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HH)(CC[6a]HH)(H){1|C<3>,2|C<4>,2|H<1>}	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]CH)(N[5]C[5]CH)(CH3){1|C<3>,3|H<1>}	H(N[5]C[3,5]C[5]C)	106.9440	0.000	1	106.9440	0.000	1	106.9440	0.000	1	106.9440	0.000	1	106.9440	0.000	1	106.9440	0.000	1
999	490	490	0:SP3_SP3_SP3	N[5,6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:C[5,6]-4:C-4:C-4:	N[5,6]-4:H-1:H-1:H-1:	N[5,6]-4:H-1:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]H)2(CH3)2	C(N[5,6]C[5,6]2C)(H)3	C(N[5,6]C[5,6]2C)(H)3	N[5,6](C[5,6]C[5]C[6]H)2(CH3)2{1|C<4>,8|H<1>}	C(N[5,6]C[5,6]2C)(H)3	C(N[5,6]C[5,6]2C)(H)3	106.0140	0.000	1	106.0140	0.000	1	106.0140	0.000	1	106.0140	0.000	1	106.1273	0.051	4	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5,6]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[5,6]-4:C-4:C-4:	N[5,6]-4:C-4:H-1:H-1:	N[5,6]-4:H-1:H-1:H-1:	N[5,6](C[5,6]C[3,5]C[6]H)2(CCHH)(CH3)	C(N[5,6]C[5,6]2C)(CH3)(H)2	C(N[5,6]C[5,6]2C)(H)3	N[5,6](C[5,6]C[3,5]C[6]H)2(CCHH)(CH3){1|C<4>,1|O<2>,6|H<1>}	C(N[5,6]C[5,6]2C)(CH3)(H)2	C(N[5,6]C[5,6]2C)(H)3	106.1650	0.259	3	106.1650	0.067	3	106.1650	0.067	3	106.1650	0.067	3	106.1273	0.051	4	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	2:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-2:C[5]-2:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5]C[5])2(CH3)2	C(N[5]C[5]2C)(H)3	C(N[5]C[5]2C)(H)3	N[5](C[5]C[5])2(CH3)2	C(N[5]C[5]2C)(H)3	C(N[5]C[5]2C)(H)3	112.2270	0.000	1	112.2270	0.000	1	112.2270	0.000	1	112.2270	0.000	1	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6a]-3:B[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5,6a]C[5,6a,6a]C[6a])(B[5]C[5,6a]FF)(CH3)2	C(N[5]C[5,6a]B[5]C)(H)3	C(N[5]C[5,6a]B[5]C)(H)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>}	C(N[5]C[5,6a]B[5]C)(H)3	C(N[5]C[5,6a]B[5]C)(H)3	109.0410	0.000	1	109.0410	0.000	1	107.8202	0.535	5	108.8239	1.098	13	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6a]-3:B[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(B[5]C[6a]C[5]C)(CH3)2	C(N[5]C[5,6a]B[5]C)(H)3	C(N[5]C[5,6a]B[5]C)(H)3	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>}	C(N[5]C[5,6a]B[5]C)(H)3	C(N[5]C[5,6a]B[5]C)(H)3	107.1890	0.000	1	107.1890	0.000	1	107.8202	0.535	5	108.8239	1.098	13	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6a]-3:B[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(B[5]C[6a]C[5]Cl)(CH3)2	C(N[5]C[5,6a]B[5]C)(H)3	C(N[5]C[5,6a]B[5]C)(H)3	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>}	C(N[5]C[5,6a]B[5]C)(H)3	C(N[5]C[5,6a]B[5]C)(H)3	107.7590	0.000	1	107.7590	0.000	1	107.8202	0.535	5	108.8239	1.098	13	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6a]-3:B[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(B[5]P[5]BrH)(CH3)2	C(N[5]C[5,6a]B[5]C)(H)3	C(N[5]C[5,6a]B[5]C)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(B[5]P[5]BrH)(CH3)2{1|H<1>,4|C<3>}	C(N[5]C[5,6a]B[5]C)(H)3	C(N[5]C[5,6a]B[5]C)(H)3	107.7870	0.000	1	107.7870	0.000	1	107.8202	0.535	5	108.8239	1.098	13	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6a]-3:B[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(B[5]P[5]HH)(CH3)2	C(N[5]C[5,6a]B[5]C)(H)3	C(N[5]C[5,6a]B[5]C)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(B[5]P[5]HH)(CH3)2{1|H<1>,4|C<3>}	C(N[5]C[5,6a]B[5]C)(H)3	C(N[5]C[5,6a]B[5]C)(H)3	107.3250	0.000	1	107.3250	0.000	1	107.8202	0.535	5	108.8239	1.098	13	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6a]-3:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5]H)(CH3)2	C(N[5]C[5,6a]C[5]C)(H)3	C(N[5]C[5,6a]C[5]C)(H)3	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5]H)(CH3)2{1|H<1>,5|C<3>}	C(N[5]C[5,6a]C[5]C)(H)3	C(N[5]C[5,6a]C[5]C)(H)3	109.6690	0.395	2	109.6690	0.156	2	109.5846	0.310	7	108.8239	1.098	13	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6a]-3:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6]H)(CH3)2	C(N[5]C[5,6a]C[5]C)(H)3	C(N[5]C[5,6a]C[5]C)(H)3	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6]H)(CH3)2{1|H<1>,5|C<3>}	C(N[5]C[5,6a]C[5]C)(H)3	C(N[5]C[5,6a]C[5]C)(H)3	109.2125	0.497	2	109.2125	0.247	2	109.5846	0.310	7	108.8239	1.098	13	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6a]-3:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HO)(CH3)2	C(N[5]C[5,6a]C[5]C)(H)3	C(N[5]C[5,6a]C[5]C)(H)3	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HO)(CH3)2{1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5]C)(H)3	C(N[5]C[5,6a]C[5]C)(H)3	109.4845	0.738	2	109.4845	0.544	2	109.5846	0.310	7	108.8239	1.098	13	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6a]-3:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]B[5,5]FF)(CH3)2	C(N[5]C[5,6a]C[5]C)(H)3	C(N[5]C[5,6a]C[5]C)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]B[5,5]FF)(CH3)2{1|H<1>,2|C<3>,2|O<2>}	C(N[5]C[5,6a]C[5]C)(H)3	C(N[5]C[5,6a]C[5]C)(H)3	110.3600	0.000	1	110.3600	0.000	1	109.5846	0.310	7	108.8239	1.098	13	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6a]-3:Ga[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5,6a]C[5,6a,6a]C[6a])(Ga[5]C[5,6a]Cl2)(CH3)2	C(N[5]C[5,6a]Ga[5]C)(H)3	C(N[5]C[5,6a]Ga[5]C)(H)3	N[5](C[5,6a]C[5,6a,6a]C[6a])(Ga[5]C[5,6a]Cl2)(CH3)2{1|H<1>,3|C<3>}	C(N[5]C[5,6a]Ga[5]C)(H)3	C(N[5]C[5,6a]Ga[5]C)(H)3	108.5180	0.000	1	108.5180	0.000	1	108.5180	0.000	1	108.8239	1.098	13	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:O[5]-2:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3)2	C(N[5]C[5,6]O[5]C)(H)3	C(N[5]C[5,6]O[5]C)(H)3	N[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3)2{2|C<4>,5|H<1>}	C(N[5]C[5,6]O[5]C)(H)3	C(N[5]C[5,6]O[5]C)(H)3	108.7530	0.000	1	108.7530	0.000	1	108.7530	0.000	1	108.1663	0.596	3	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:N[5]-2:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5]C[5]CO)(N[5]C[5])(CH3)2	C(N[5]C[5]N[5]C)(H)3	C(N[5]C[5]N[5]C)(H)3	N[5](C[5]C[5]CO)(N[5]C[5])(CH3)2{1|H<1>,2|C<3>}	C(N[5]C[5]N[5]C)(H)3	C(N[5]C[5]N[5]C)(H)3	108.4540	0.000	1	108.4540	0.000	1	108.4540	0.000	1	108.1663	0.596	3	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	Ga[5]-4:O[5]-2:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](Ga[5]O[5]CC)(O[5]Ga[5])(CH3)2	C(N[5]Ga[5]O[5]C)(H)3	C(N[5]Ga[5]O[5]C)(H)3	N[5](Ga[5]O[5]CC)(O[5]Ga[5])(CH3)2{1|N<3>,2|C<4>}	C(N[5]Ga[5]O[5]C)(H)3	C(N[5]Ga[5]O[5]C)(H)3	107.2920	0.000	1	107.2920	0.000	1	107.2920	0.000	1	108.1663	0.596	3	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	4:2:4:4:	4:4:1:1:	4:4:4:1:	C[5]-4:O[5]-2:C-4:C-4:	N[5]-4:C-4:H-1:H-1:	N[5]-4:C-4:C-4:H-1:	N[5](C[5]O[5]HH)(O[5]B[5])(CCCH)(CCHH)	C(N[5]C[5]O[5]C)(CN[5]HH)(H)2	C(N[5]C[5]O[5]C)(CH3)2(H)	N[5](C[5]O[5]HH)(O[5]B[5])(CCCH)(CCHH){2|C<3>}	C(N[5]C[5]O[5]C)(CN[5]HH)(H)2	C(N[5]C[5]O[5]C)(CH3)2(H)	112.2300	0.000	1	112.2300	0.000	1	112.2300	0.000	1	112.2300	0.000	1	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	4:4:4:4:	3:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[6a]-3:N[5]-4:H-1:H-1:	N[5]-4:C-4:H-1:H-1:	N[5](C[5]C[5]HH)2(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(N[5]C[5]2C)(H)2	C(N[5]C[5]2C)(CCHH)(H)2	N[5](C[5]C[5]HH)2(CC[6a]HH)(CCHH){4|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2C)(H)2	C(N[5]C[5]2C)(CCHH)(H)2	108.0205	0.442	2	108.0205	0.195	2	109.6817	8.376	3	109.6817	8.376	3	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	4:4:4:4:	3:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[6a]-3:N[5]-4:H-1:H-1:	N[5]-4:C-4:H-1:H-1:	N[5](C[5]C[5]HH)2(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(N[5]C[5]2C)(H)2	C(N[5]C[5]2C)(CCHN)(H)2	N[5](C[5]C[5]HH)2(CC[6a]HH)(CCHH){4|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2C)(H)2	C(N[5]C[5]2C)(CCHN)(H)2	113.0040	0.000	1	113.0040	0.000	1	109.6817	8.376	3	109.6817	8.376	3	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	B[5,5]-4:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](B[5,5]C[5,6a]3)(C[5]C[5,6a]HH)(CH3)2	C(N[5]B[5,5]C[5]C)(H)3	C(N[5]B[5,5]C[5]C)(H)3	N[5](B[5,5]C[5,6a]3)(C[5]C[5,6a]HH)(CH3)2{6|C<3>}	C(N[5]B[5,5]C[5]C)(H)3	C(N[5]B[5,5]C[5]C)(H)3	108.0060	0.000	1	108.0060	0.000	1	108.8814	0.298	5	108.7818	0.768	54	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	B[5,5]-4:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](B[5,5]C[5,6a]O[5]2)(C[5]C[5,6a]HH)(CH3)2	C(N[5]B[5,5]C[5]C)(H)3	C(N[5]B[5,5]C[5]C)(H)3	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>}	C(N[5]B[5,5]C[5]C)(H)3	C(N[5]B[5,5]C[5]C)(H)3	109.0910	0.000	1	109.0910	0.000	1	108.8814	0.298	5	108.7818	0.768	54	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	B[5,5]-4:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](B[5,5]C[5,6a]O[5]2)(C[5]C[5]HH)(CH3)2	C(N[5]B[5,5]C[5]C)(H)3	C(N[5]B[5,5]C[5]C)(H)3	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>}	C(N[5]B[5,5]C[5]C)(H)3	C(N[5]B[5,5]C[5]C)(H)3	109.2945	0.122	2	109.2945	0.015	2	108.8814	0.298	5	108.7818	0.768	54	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	B[5,5]-4:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](B[5,5]O[5]3)(C[5]C[5]HH)(CH3)2	C(N[5]B[5,5]C[5]C)(H)3	C(N[5]B[5,5]C[5]C)(H)3	N[5](B[5,5]O[5]3)(C[5]C[5]HH)(CH3)2{1|H<1>,3|C<4>}	C(N[5]B[5,5]C[5]C)(H)3	C(N[5]B[5,5]C[5]C)(H)3	108.7210	0.000	1	108.7210	0.000	1	108.8814	0.298	5	108.7818	0.768	54	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	B[5,6,6]-4:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](B[5,6,6]C[6,6]2C[5])(C[5]C[5]HH)(CH3)2	C(N[5]B[5,6,6]C[5]C)(H)3	C(N[5]B[5,6,6]C[5]C)(H)3	N[5](B[5,6,6]C[6,6]2C[5])(C[5]C[5]HH)(CH3)2{4|C<4>,6|H<1>}	C(N[5]B[5,6,6]C[5]C)(H)3	C(N[5]B[5,6,6]C[5]C)(H)3	107.4530	0.000	1	107.4530	0.000	1	107.4530	0.000	1	108.7818	0.768	54	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	B[5,6]-4:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](B[5,6]C[5,6a]O[6]2)(C[5]C[5,6a]HH)(CH3)2	C(N[5]B[5,6]C[5]C)(H)3	C(N[5]B[5,6]C[5]C)(H)3	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>}	C(N[5]B[5,6]C[5]C)(H)3	C(N[5]B[5,6]C[5]C)(H)3	108.8970	0.102	2	108.7480	0.072	3	108.7480	0.072	3	108.7818	0.768	54	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	B[5,6]-4:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](B[5,6]C[5,6a]O[6]2)(C[5]C[5,6a]HH)(CH3)2	C(N[5]B[5,6]C[5]C)(H)3	C(N[5]B[5,6]C[5]C)(H)3	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>}	C(N[5]B[5,6]C[5]C)(H)3	C(N[5]B[5,6]C[5]C)(H)3	108.4500	0.000	1	108.7480	0.072	3	108.7480	0.072	3	108.7818	0.768	54	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	B[5,6a]-4:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](B[5,6a]C[5,6a]O[6a]2)(C[5]C[5,6a]HH)(CH3)2	C(N[5]B[5,6a]C[5]C)(H)3	C(N[5]B[5,6a]C[5]C)(H)3	N[5](B[5,6a]C[5,6a]O[6a]2)(C[5]C[5,6a]HH)(CH3)2{2|B<3>,2|C<3>}	C(N[5]B[5,6a]C[5]C)(H)3	C(N[5]B[5,6a]C[5]C)(H)3	109.2570	0.279	3	109.2570	0.078	3	109.1895	0.070	4	108.7818	0.768	54	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	B[5,6a]-4:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](B[5,6a]C[6a,6a]N[5,6a]O)(C[5]C[5]CH)(CH3)2	C(N[5]B[5,6a]C[5]C)(H)3	C(N[5]B[5,6a]C[5]C)(H)3	N[5](B[5,6a]C[6a,6a]N[5,6a]O)(C[5]C[5]CH)(CH3)2{1|N<2>,1|O<1>,2|C<3>}	C(N[5]B[5,6a]C[5]C)(H)3	C(N[5]B[5,6a]C[5]C)(H)3	108.9870	0.000	1	108.9870	0.000	1	109.1895	0.070	4	108.7818	0.768	54	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	B[5]-4:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](B[5]C[5,6a]C[6]2)(C[5]C[5,6a]CH)(CH3)2	C(N[5]B[5]C[5]C)(H)3	C(N[5]B[5]C[5]C)(H)3	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>}	C(N[5]B[5]C[5]C)(H)3	C(N[5]B[5]C[5]C)(H)3	107.0440	0.000	1	107.0440	0.000	1	107.7561	0.467	8	108.7818	0.768	54	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	B[5]-4:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]CH)(CH3)2	C(N[5]B[5]C[5]C)(H)3	C(N[5]B[5]C[5]C)(H)3	N[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]CH)(CH3)2{6|C<3>}	C(N[5]B[5]C[5]C)(H)3	C(N[5]B[5]C[5]C)(H)3	108.7140	0.044	2	108.7140	0.002	2	107.7561	0.467	8	108.7818	0.768	54	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	B[5]-4:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](B[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(CH3)2	C(N[5]B[5]C[5]C)(H)3	C(N[5]B[5]C[5]C)(H)3	N[5](B[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(CH3)2{4|C<3>}	C(N[5]B[5]C[5]C)(H)3	C(N[5]B[5]C[5]C)(H)3	107.9130	0.000	1	107.9130	0.000	1	107.7561	0.467	8	108.7818	0.768	54	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	B[5]-4:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](B[5]C[5,6a]Cl2)(C[5]C[5,6a]CH)(CH3)2	C(N[5]B[5]C[5]C)(H)3	C(N[5]B[5]C[5]C)(H)3	N[5](B[5]C[5,6a]Cl2)(C[5]C[5,6a]CH)(CH3)2{2|C<3>}	C(N[5]B[5]C[5]C)(H)3	C(N[5]B[5]C[5]C)(H)3	107.2803	0.329	3	107.2803	0.108	3	107.7561	0.467	8	108.7818	0.768	54	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	B[5]-4:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](B[5]C[5,6a]Cl2)(C[5]C[5,6a]HH)(CH3)2	C(N[5]B[5]C[5]C)(H)3	C(N[5]B[5]C[5]C)(H)3	N[5](B[5]C[5,6a]Cl2)(C[5]C[5,6a]HH)(CH3)2{2|C<3>}	C(N[5]B[5]C[5]C)(H)3	C(N[5]B[5]C[5]C)(H)3	107.8230	0.000	1	107.8230	0.000	1	107.7561	0.467	8	108.7818	0.768	54	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5]C[5,5]CH)2(CH3)2	C(N[5]C[5]2C)(H)3	C(N[5]C[5]2C)(H)3	N[5](C[5]C[5,5]CH)2(CH3)2{1|Fe<10>,2|C<4>}	C(N[5]C[5]2C)(H)3	C(N[5]C[5]2C)(H)3	107.6560	0.000	1	107.6560	0.000	1	109.1153	0.955	22	108.7818	0.768	54	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5]C[5,5]HH)(C[5]C[5]HH)(CH3)2	C(N[5]C[5]2C)(H)3	C(N[5]C[5]2C)(H)3	N[5](C[5]C[5,5]HH)(C[5]C[5]HH)(CH3)2{1|H<1>,1|S<2>,2|C<3>}	C(N[5]C[5]2C)(H)3	C(N[5]C[5]2C)(H)3	108.5730	0.000	1	108.5730	0.000	1	109.1153	0.955	22	108.7818	0.768	54	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(CH3)2	C(N[5]C[5]2C)(H)3	C(N[5]C[5]2C)(H)3	N[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(CH3)2{2|C<4>,2|H<1>}	C(N[5]C[5]2C)(H)3	C(N[5]C[5]2C)(H)3	109.7900	0.000	1	109.7900	0.000	1	109.1153	0.955	22	108.7818	0.768	54	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CH3)2	C(N[5]C[5]2C)(H)3	C(N[5]C[5]2C)(H)3	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CH3)2{2|C<3>}	C(N[5]C[5]2C)(H)3	C(N[5]C[5]2C)(H)3	107.2270	0.000	1	107.2270	0.000	1	109.1153	0.955	22	108.7818	0.768	54	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)2	C(N[5]C[5]2C)(H)3	C(N[5]C[5]2C)(H)3	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)2{1|O<2>,3|H<1>}	C(N[5]C[5]2C)(H)3	C(N[5]C[5]2C)(H)3	109.9620	0.000	1	109.9620	0.000	1	109.1153	0.955	22	108.7818	0.768	54	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]HH)(CH3)2	C(N[5]C[5]2C)(H)3	C(N[5]C[5]2C)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]HH)(CH3)2{2|C<4>,2|H<1>}	C(N[5]C[5]2C)(H)3	C(N[5]C[5]2C)(H)3	108.5532	0.489	4	108.5532	0.239	4	109.1153	0.955	22	108.7818	0.768	54	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5]C[5]HH)2(CH3)2	C(N[5]C[5]2C)(H)3	C(N[5]C[5]2C)(H)3	N[5](C[5]C[5]HH)2(CH3)2{1|F<1>,3|H<1>}	C(N[5]C[5]2C)(H)3	C(N[5]C[5]2C)(H)3	110.4723	1.494	3	109.4704	0.773	13	109.1153	0.955	22	108.7818	0.768	54	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5]C[5]HH)2(CH3)2	C(N[5]C[5]2C)(H)3	C(N[5]C[5]2C)(H)3	N[5](C[5]C[5]HH)2(CH3)2{4|H<1>}	C(N[5]C[5]2C)(H)3	C(N[5]C[5]2C)(H)3	109.1698	0.315	10	109.4704	0.773	13	109.1153	0.955	22	108.7818	0.768	54	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Ga[5,5]-4:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](Ga[5,5]C[5,5a]2C[5,6a])(C[5]C[5,6a]HH)(CH3)2	C(N[5]Ga[5,5]C[5]C)(H)3	C(N[5]Ga[5,5]C[5]C)(H)3	N[5](Ga[5,5]C[5,5a]2C[5,6a])(C[5]C[5,6a]HH)(CH3)2{6|C<3>}	C(N[5]Ga[5,5]C[5]C)(H)3	C(N[5]Ga[5,5]C[5]C)(H)3	109.3170	0.400	2	109.3170	0.160	2	109.0973	0.182	4	108.7818	0.768	54	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Ga[5,5]-4:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](Ga[5,5]C[5,6a]3)(C[5]C[5,6a]HH)(CH3)2	C(N[5]Ga[5,5]C[5]C)(H)3	C(N[5]Ga[5,5]C[5]C)(H)3	N[5](Ga[5,5]C[5,6a]3)(C[5]C[5,6a]HH)(CH3)2{6|C<3>}	C(N[5]Ga[5,5]C[5]C)(H)3	C(N[5]Ga[5,5]C[5]C)(H)3	108.8775	0.441	2	108.8775	0.194	2	109.0973	0.182	4	108.7818	0.768	54	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Ga[5]-4:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](Ga[5]C[5,6a]C[6a]2)(C[5]C[5,6a]HH)(CH3)2	C(N[5]Ga[5]C[5]C)(H)3	C(N[5]Ga[5]C[5]C)(H)3	N[5](Ga[5]C[5,6a]C[6a]2)(C[5]C[5,6a]HH)(CH3)2{6|C<3>}	C(N[5]Ga[5]C[5]C)(H)3	C(N[5]Ga[5]C[5]C)(H)3	109.1440	0.000	1	109.1440	0.000	1	108.5252	0.288	5	108.7818	0.768	54	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Ga[5]-4:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](Ga[5]C[5,6a]Cl2)(C[5]C[5,6a]HH)(CH3)2	C(N[5]Ga[5]C[5]C)(H)3	C(N[5]Ga[5]C[5]C)(H)3	N[5](Ga[5]C[5,6a]Cl2)(C[5]C[5,6a]HH)(CH3)2{2|C<3>}	C(N[5]Ga[5]C[5]C)(H)3	C(N[5]Ga[5]C[5]C)(H)3	108.9250	0.000	1	108.9250	0.000	1	108.5252	0.288	5	108.7818	0.768	54	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Ga[5]-4:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](Ga[5]N[5]CC)(C[5]C[5]HH)(CH3)2	C(N[5]Ga[5]C[5]C)(H)3	C(N[5]Ga[5]C[5]C)(H)3	N[5](Ga[5]N[5]CC)(C[5]C[5]HH)(CH3)2{2|C<4>,2|H<1>}	C(N[5]Ga[5]C[5]C)(H)3	C(N[5]Ga[5]C[5]C)(H)3	108.3765	0.207	2	108.3765	0.043	2	108.5252	0.288	5	108.7818	0.768	54	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Ga[5]-4:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](Ga[5]O[5]ClC)(C[5]C[5]HH)(CH3)2	C(N[5]Ga[5]C[5]C)(H)3	C(N[5]Ga[5]C[5]C)(H)3	N[5](Ga[5]O[5]ClC)(C[5]C[5]HH)(CH3)2{1|Ga<4>,2|H<1>}	C(N[5]Ga[5]C[5]C)(H)3	C(N[5]Ga[5]C[5]C)(H)3	107.8040	0.000	1	107.8040	0.000	1	108.5252	0.288	5	108.7818	0.768	54	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	In[5,5]-4:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](In[5,5]C[5,6a]3)(C[5]C[5,6a]HH)(CH3)2	C(N[5]In[5,5]C[5]C)(H)3	C(N[5]In[5,5]C[5]C)(H)3	N[5](In[5,5]C[5,6a]3)(C[5]C[5,6a]HH)(CH3)2{6|C<3>}	C(N[5]In[5,5]C[5]C)(H)3	C(N[5]In[5,5]C[5]C)(H)3	109.0260	0.000	1	109.0260	0.000	1	109.0260	0.000	1	108.7818	0.768	54	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	In[5]-4:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](In[5]S[5]ClS)(C[5]C[5]HH)(CH3)2	C(N[5]In[5]C[5]C)(H)3	C(N[5]In[5]C[5]C)(H)3	N[5](In[5]S[5]ClS)(C[5]C[5]HH)(CH3)2{2|H<1>}	C(N[5]In[5]C[5]C)(H)3	C(N[5]In[5]C[5]C)(H)3	108.7290	0.000	1	108.7290	0.000	1	108.7290	0.000	1	108.7818	0.768	54	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	B[5]-4:C[5]-4:C-4:C-4:	N[5]-4:C[6a]-3:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](B[5]C[5]HH)(C[5]C[5]HH)(CC[6a]HH)(CH3)	C(N[5]B[5]C[5]C)(C[6a]C[6a]2)(H)2	C(N[5]B[5]C[5]C)(H)3	N[5](B[5]C[5]HH)(C[5]C[5]HH)(CC[6a]HH)(CH3){1|C<4>,1|H<1>}	C(N[5]B[5]C[5]C)(C[6a]C[6a]2)(H)2	C(N[5]B[5]C[5]C)(H)3	109.7060	0.000	1	109.7060	0.000	1	109.7060	0.000	1	110.3468	0.493	6	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	N[5]-4:C-3:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5]C[5]HH)2(CCHH)(CH3)	C(N[5]C[5]2C)(CCH)(H)2	C(N[5]C[5]2C)(H)3	N[5](C[5]C[5]HH)2(CCHH)(CH3){4|H<1>}	C(N[5]C[5]2C)(CCH)(H)2	C(N[5]C[5]2C)(H)3	110.1930	0.000	1	110.1930	0.000	1	110.4750	0.493	5	110.3468	0.493	6	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	N[5]-4:C-3:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5]C[5]HH)2(CCHH)(CH3)	C(N[5]C[5]2C)(CCO)(H)2	C(N[5]C[5]2C)(H)3	N[5](C[5]C[5]HH)2(CCHH)(CH3){4|H<1>}	C(N[5]C[5]2C)(CCO)(H)2	C(N[5]C[5]2C)(H)3	109.4970	0.000	1	109.4970	0.000	1	110.4750	0.493	5	110.3468	0.493	6	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	N[5]-4:C-3:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5]C[5]HH)2(CCHH)(CH3)	C(N[5]C[5]2C)(COO)(H)2	C(N[5]C[5]2C)(H)3	N[5](C[5]C[5]HH)2(CCHH)(CH3){4|H<1>}	C(N[5]C[5]2C)(COO)(H)2	C(N[5]C[5]2C)(H)3	110.8950	0.450	3	110.8950	0.203	3	110.4750	0.493	5	110.3468	0.493	6	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	4:4:4:4:	4:4:1:1:	3:4:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5,6]-4:N[5]-4:H-1:H-1:	C[6a]-3:N[5]-4:H-1:H-1:	N[5](C[5]C[5]HH)2(CC[5,6]HH)(CC[6a]HH)	C(C[5,6]C[5,5,6]C[5,6]C)(N[5]C[5]2C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2C)(H)2	N[5](C[5]C[5]HH)2(CC[5,6]HH)(CC[6a]HH){4|H<1>}	C(C[5,6]C[5,5,6]C[5,6]C)(N[5]C[5]2C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2C)(H)2	108.1010	1.428	2	108.1010	2.040	2	108.1010	2.040	2	108.1010	2.040	2	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	B[5,6]-4:C[5]-4:C-4:C-4:	N[5]-4:C[5]-4:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](B[5,6]C[5,6a]O[6]2)(C[5]C[5,6a]HH)(CC[5]HH)(CH3)	C(N[5]B[5,6]C[5]C)(C[5]C[5]2Fe)(H)2	C(N[5]B[5,6]C[5]C)(H)3	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>}	C(N[5]B[5,6]C[5]C)(C[5]C[5]2Fe)(H)2	C(N[5]B[5,6]C[5]C)(H)3	111.0330	0.448	3	111.0330	0.201	3	111.0330	0.201	3	110.5839	2.507	51	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[5]-4:C-4:C-4:	N[5]-4:C-4:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCHH)(CH3)	C(N[5]C[5,6]C[5]C)(CC[5,5,6]HH)(H)2	C(N[5]C[5,6]C[5]C)(H)3	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCHH)(CH3){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C(N[5]C[5,6]C[5]C)(CC[5,5,6]HH)(H)2	C(N[5]C[5,6]C[5]C)(H)3	109.2710	0.000	2	109.2710	0.000	2	109.2710	0.000	2	110.5839	2.507	51	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	N[5]-4:C-4:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5]C[5,5,6,6]HH)2(CCHH)(CH3)	C(N[5]C[5]2C)(CH3)(H)2	C(N[5]C[5]2C)(H)3	N[5](C[5]C[5,5,6,6]HH)2(CCHH)(CH3){4|C<3>}	C(N[5]C[5]2C)(CH3)(H)2	C(N[5]C[5]2C)(H)3	110.8595	0.006	2	110.8595	0.000	2	110.5986	2.806	44	110.5839	2.507	51	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	N[5]-4:C-4:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5]C[5]HH)2(CCHH)(CH3)	C(N[5]C[5]2C)(CCHH)(H)2	C(N[5]C[5]2C)(H)3	N[5](C[5]C[5]HH)2(CCHH)(CH3){4|H<1>}	C(N[5]C[5]2C)(CCHH)(H)2	C(N[5]C[5]2C)(H)3	110.6731	1.690	38	110.6731	2.856	38	110.5986	2.806	44	110.5839	2.507	51	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	N[5]-4:C-4:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5]C[5]HH)2(CCHH)(CH3)	C(N[5]C[5]2C)(CCo2C)(H)2	C(N[5]C[5]2C)(H)3	N[5](C[5]C[5]HH)2(CCHH)(CH3){4|H<1>}	C(N[5]C[5]2C)(CCo2C)(H)2	C(N[5]C[5]2C)(H)3	106.8830	0.000	1	106.8830	0.000	1	110.5986	2.806	44	110.5839	2.507	51	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	N[5]-4:C-4:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5]C[5]HH)2(CCHH)(CH3)	C(N[5]C[5]2C)(CH3)(H)2	C(N[5]C[5]2C)(H)3	N[5](C[5]C[5]HH)2(CCHH)(CH3){4|H<1>}	C(N[5]C[5]2C)(CH3)(H)2	C(N[5]C[5]2C)(H)3	110.5125	0.735	2	110.5125	0.540	2	110.5986	2.806	44	110.5839	2.507	51	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	N[5]-4:C-4:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5]C[5]HH)2(CCHH)(CH3)	C(N[5]C[5]2C)(CHHO)(H)2	C(N[5]C[5]2C)(H)3	N[5](C[5]C[5]HH)2(CCHH)(CH3){4|H<1>}	C(N[5]C[5]2C)(CHHO)(H)2	C(N[5]C[5]2C)(H)3	111.1320	0.000	1	111.1320	0.000	1	110.5986	2.806	44	110.5839	2.507	51	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	N[5]-4:Si-4:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CSiHH)(CH3)	C(N[5]C[5]2C)(SiC3)(H)2	C(N[5]C[5]2C)(H)3	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CSiHH)(CH3){4|H<1>}	C(N[5]C[5]2C)(SiC3)(H)2	C(N[5]C[5]2C)(H)3	110.7430	0.000	1	110.7430	0.000	1	110.9005	0.050	2	110.5839	2.507	51	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	N[5]-4:Si-4:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CSiHH)(CH3)	C(N[5]C[5]2C)(SiC[6a]2C)(H)2	C(N[5]C[5]2C)(H)3	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CSiHH)(CH3){4|H<1>}	C(N[5]C[5]2C)(SiC[6a]2C)(H)2	C(N[5]C[5]2C)(H)3	111.0580	0.000	1	111.0580	0.000	1	110.9005	0.050	2	110.5839	2.507	51	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	B[5]-4:C[5]-4:C-4:C-4:	N[5]-4:C-4:H-1:H-1:	N[5]-4:C-4:H-1:H-1:	N[5](B[5]C[6a]B[5]I)(C[5]C[5]HH)(CCHH)2	C(N[5]B[5]C[5]C)(CH3)(H)2	C(N[5]B[5]C[5]C)(CH3)(H)2	N[5](B[5]C[6a]B[5]I)(C[5]C[5]HH)(CCHH)2{2|H<1>,3|C<3>}	C(N[5]B[5]C[5]C)(CH3)(H)2	C(N[5]B[5]C[5]C)(CH3)(H)2	110.8160	0.000	1	110.8160	0.000	1	110.8160	0.000	1	111.2470	0.372	2	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:C-4:C-4:	N[5]-4:C-4:H-1:H-1:	N[5]-4:C-4:H-1:H-1:	N[5](C[5]C[5]HH)2(CCHH)2	C(N[5]C[5]2C)(CH3)(H)2	C(N[5]C[5]2C)(CH3)(H)2	N[5](C[5]C[5]HH)2(CCHH)2{4|H<1>}	C(N[5]C[5]2C)(CH3)(H)2	C(N[5]C[5]2C)(CH3)(H)2	111.6780	0.000	1	111.6780	0.000	1	111.6780	0.000	1	111.2470	0.372	2	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	5:2:4:4:	4:1:1:1:	4:1:1:1:	Si[5,5]-5:N[5]-2:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](Si[5,5]C[6]N[5]O[5]2)(N[5]C[5])(CH3)2	C(N[5]Si[5,5]N[5]C)(H)3	C(N[5]Si[5,5]N[5]C)(H)3	N[5](Si[5,5]C[6]N[5]O[5]2)(N[5]C[5])(CH3)2{1|C<3>,1|H<1>,1|N<2>,4|C<4>}	C(N[5]Si[5,5]N[5]C)(H)3	C(N[5]Si[5,5]N[5]C)(H)3	109.8440	0.000	1	109.8440	0.000	1	108.9713	0.810	3	108.3990	1.102	5	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	5:2:4:4:	4:1:1:1:	4:1:1:1:	Si[5,5]-5:N[5]-2:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](Si[5,5]C[6a]N[5]O[5]2)(N[5]C[5])(CH3)2	C(N[5]Si[5,5]N[5]C)(H)3	C(N[5]Si[5,5]N[5]C)(H)3	N[5](Si[5,5]C[6a]N[5]O[5]2)(N[5]C[5])(CH3)2{1|N<2>,3|C<3>,3|C<4>}	C(N[5]Si[5,5]N[5]C)(H)3	C(N[5]Si[5,5]N[5]C)(H)3	108.5350	0.692	2	108.5350	0.478	2	108.9713	0.810	3	108.3990	1.102	5	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	5:2:4:4:	4:1:1:1:	4:1:1:1:	Si[5]-5:N[5]-2:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](Si[5]C[6a]O[5]HO)(N[5]C[5])(CH3)2	C(N[5]Si[5]N[5]C)(H)3	C(N[5]Si[5]N[5]C)(H)3	N[5](Si[5]C[6a]O[5]HO)(N[5]C[5])(CH3)2{3|C<3>}	C(N[5]Si[5]N[5]C)(H)3	C(N[5]Si[5]N[5]C)(H)3	107.9480	0.000	1	107.9480	0.000	1	107.5405	0.332	2	108.3990	1.102	5	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	5:2:4:4:	4:1:1:1:	4:1:1:1:	Si[5]-5:N[5]-2:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](Si[5]O[5]Br2O)(N[5]C[5])(CH3)2	C(N[5]Si[5]N[5]C)(H)3	C(N[5]Si[5]N[5]C)(H)3	N[5](Si[5]O[5]Br2O)(N[5]C[5])(CH3)2{1|C<3>}	C(N[5]Si[5]N[5]C)(H)3	C(N[5]Si[5]N[5]C)(H)3	107.1330	0.000	1	107.1330	0.000	1	107.5405	0.332	2	108.3990	1.102	5	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	5:4:4:4:	4:1:1:1:	4:1:1:1:	Ga[4,5]-5:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](Ga[4,5]O[4,5]2Cl2)(C[5]C[5]HH)(CH3)2	C(N[5]Ga[4,5]C[5]C)(H)3	C(N[5]Ga[4,5]C[5]C)(H)3	N[5](Ga[4,5]O[4,5]2Cl2)(C[5]C[5]HH)(CH3)2{1|Ga<5>,1|C<4>,2|H<1>}	C(N[5]Ga[4,5]C[5]C)(H)3	C(N[5]Ga[4,5]C[5]C)(H)3	109.0770	0.000	1	109.0770	0.000	1	109.0770	0.000	1	108.6690	0.333	2	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	5:4:4:4:	4:1:1:1:	4:1:1:1:	In[5,6]-5:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](In[5,6]N[5,6]O[6]Cl2)(C[5]C[5]HH)(CH3)2	C(N[5]In[5,6]C[5]C)(H)3	C(N[5]In[5,6]C[5]C)(H)3	N[5](In[5,6]N[5,6]O[6]Cl2)(C[5]C[5]HH)(CH3)2{1|C<3>,2|C<4>,2|H<1>}	C(N[5]In[5,6]C[5]C)(H)3	C(N[5]In[5,6]C[5]C)(H)3	108.2610	0.000	1	108.2610	0.000	1	108.2610	0.000	1	108.6690	0.333	2	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	5:4:4:4:	4:4:1:1:	4:1:1:1:	In[5]-5:C[5]-4:C-4:C-4:	N[5]-4:C-4:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](In[5]N[5]Cl3)(C[5]C[5]HH)(CCHH)(CH3)	C(N[5]In[5]C[5]C)(CHHN)(H)2	C(N[5]In[5]C[5]C)(H)3	N[5](In[5]N[5]Cl3)(C[5]C[5]HH)(CCHH)(CH3){2|C<4>,2|H<1>}	C(N[5]In[5]C[5]C)(CHHN)(H)2	C(N[5]In[5]C[5]C)(H)3	110.1845	1.129	2	110.1845	1.275	2	110.1845	1.275	2	108.9790	2.363	4	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	5:4:4:4:	4:4:1:1:	4:1:1:1:	Si[5]-5:C[5]-4:C-4:C-4:	N[5]-4:C-4:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](Si[5]N[5]Cl3)(C[5]C[5]HH)(CCHH)(CH3)	C(N[5]Si[5]C[5]C)(CHHN)(H)2	C(N[5]Si[5]C[5]C)(H)3	N[5](Si[5]N[5]Cl3)(C[5]C[5]HH)(CCHH)(CH3){2|C<4>,2|H<1>}	C(N[5]Si[5]C[5]C)(CHHN)(H)2	C(N[5]Si[5]C[5]C)(H)3	107.7735	0.032	2	107.7735	0.001	2	107.7735	0.001	2	108.9790	2.363	4	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	5:4:4:4:	4:4:1:1:	4:4:1:1:	In[5,5]-5:C[5]-4:C-4:C-4:	N[5]-4:C-4:H-1:H-1:	N[5]-4:C-4:H-1:H-1:	N[5](In[5,5]N[5]O[5]2O)(C[5]C[5]HH)(CCHH)2	C(N[5]In[5,5]C[5]C)(CHHN)(H)2	C(N[5]In[5,5]C[5]C)(CHHN)(H)2	N[5](In[5,5]N[5]O[5]2O)(C[5]C[5]HH)(CCHH)2{1|C<3>,1|O<1>,3|C<4>}	C(N[5]In[5,5]C[5]C)(CHHN)(H)2	C(N[5]In[5,5]C[5]C)(CHHN)(H)2	110.3840	0.089	2	110.3840	0.008	2	110.3840	0.008	2	107.5517	10.943	4	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	5:4:4:4:	4:4:1:1:	4:4:1:1:	In[5,6]-5:C[5,6]-4:C-4:C-4:	N[5]-4:C-4:H-1:H-1:	N[5]-4:C-4:H-1:H-1:	N[5](In[5,6]N[5,6]O[6]Cl2)(C[5,6]C[5,6]C[6]H)(CCHH)2	C(N[5]In[5,6]C[5,6]C)(CCHH)(H)2	C(N[5]In[5,6]C[5,6]C)(CCHH)(H)2	N[5](In[5,6]N[5,6]O[6]Cl2)(C[5,6]C[5,6]C[6]H)(CCHH)2{1|C<3>,3|C<4>,4|H<1>}	C(N[5]In[5,6]C[5,6]C)(CCHH)(H)2	C(N[5]In[5,6]C[5,6]C)(CCHH)(H)2	104.7195	0.858	2	104.7195	0.736	2	104.7195	0.736	2	107.5517	10.943	4	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	6:2:4:4:	4:1:1:1:	4:1:1:1:	Si[5,5]-6:N[5]-2:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](Si[5,5]N[5]O[5]2FF)(N[5]C[5])(CH3)2	C(N[5]Si[5,5]N[5]C)(H)3	C(N[5]Si[5,5]N[5]C)(H)3	N[5](Si[5,5]N[5]O[5]2FF)(N[5]C[5])(CH3)2{1|N<2>,2|C<3>,2|C<4>}	C(N[5]Si[5,5]N[5]C)(H)3	C(N[5]Si[5,5]N[5]C)(H)3	108.1900	0.000	1	108.1900	0.000	1	108.1900	0.000	1	108.1900	0.000	1	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	7:4:4:4:	4:1:1:1:	4:1:1:1:	Nb[3,5,6,6]-7:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](Nb[3,5,6,6]N[5,6,6]C[3]2O[6]2Cl)(C[5]C[5]HH)(CH3)2	C(N[5]Nb[3,5,6,6]C[5]C)(H)3	C(N[5]Nb[3,5,6,6]C[5]C)(H)3	N[5](Nb[3,5,6,6]N[5,6,6]C[3]2O[6]2Cl)(C[5]C[5]HH)(CH3)2{2|C<3>,2|H<1>,4|C<4>}	C(N[5]Nb[3,5,6,6]C[5]C)(H)3	C(N[5]Nb[3,5,6,6]C[5]C)(H)3	106.8630	0.169	3	106.8630	0.029	3	106.8630	0.029	3	106.8880	0.384	10	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	7:4:4:4:	4:1:1:1:	4:1:1:1:	Nb[3,5,6]-7:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](Nb[3,5,6]N[5,6]C[3]2O[6]Cl2)(C[5]C[5]HH)(CH3)2	C(N[5]Nb[3,5,6]C[5]C)(H)3	C(N[5]Nb[3,5,6]C[5]C)(H)3	N[5](Nb[3,5,6]N[5,6]C[3]2O[6]Cl2)(C[5]C[5]HH)(CH3)2{1|C<3>,2|H<1>,4|C<4>}	C(N[5]Nb[3,5,6]C[5]C)(H)3	C(N[5]Nb[3,5,6]C[5]C)(H)3	106.8960	0.000	1	106.8960	0.000	1	106.8960	0.000	1	106.8880	0.384	10	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	7:4:4:4:	4:1:1:1:	4:1:1:1:	Nb[3x3,5]-7:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](Nb[3x3,5]Nb[3x3,5]Cl[3]3N[5]Cl)(C[5]C[5]HH)(CH3)2	C(N[5]Nb[3x3,5]C[5]C)(H)3	C(N[5]Nb[3x3,5]C[5]C)(H)3	N[5](Nb[3x3,5]Nb[3x3,5]Cl[3]3N[5]Cl)(C[5]C[5]HH)(CH3)2{1|Cl<1>,2|C<4>,2|H<1>,2|N<4>}	C(N[5]Nb[3x3,5]C[5]C)(H)3	C(N[5]Nb[3x3,5]C[5]C)(H)3	106.6385	0.926	4	106.6385	0.858	4	106.6385	0.858	4	106.8880	0.384	10	109.3211	2.901	162	109.2441	3.073	166
999	490	490	0:SP3_SP3_SP3	N[5]	C	C	7:4:4:4:	4:1:1:1:	4:1:1:1:	Nb[5,5]-7:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](Nb[5,5]C[5,5,6a]N[5]Cl4)(C[5]C[5,6a]HH)(CH3)2	C(N[5]Nb[5,5]C[5]C)(H)3	C(N[5]Nb[5,5]C[5]C)(H)3	N[5](Nb[5,5]C[5,5,6a]N[5]Cl4)(C[5]C[5,6a]HH)(CH3)2{2|C<3>,3|C<4>}	C(N[5]Nb[5,5]C[5]C)(H)3	C(N[5]Nb[5,5]C[5]C)(H)3	107.4205	0.103	2	107.4205	0.011	2	107.4205	0.011	2	106.8880	0.384	10	109.3211	2.901	162	109.2441	3.073	166
999	490	578	0:SP3_SP3_SPD6	N[5,5]	C	Ga[3x5]	6:4:4:4:	4:1:1:1:	4:4:4:1:1:1:	Ga[3x5]-6:C[5]-4:C[5]-4:C-4:	N[5,5]-4:H-1:H-1:H-1:	N[5,5]-4:N[5,5]-4:N[5,5]-4:F-1:F-1:F-1:	N[5,5](Ga[3x5]N[5,5]2F3)(C[5]C[5]HH)2(CH3)	C(N[5,5]Ga[3x5]C[5]2)(H)3	Ga[3x5](N[5,5]C[5]2C)3(F)3	N[5,5](Ga[3x5]N[5,5]2F3)(C[5]C[5]HH)2(CH3){4|C<4>,4|H<1>}	C(N[5,5]Ga[3x5]C[5]2)(H)3	Ga[3x5](N[5,5]C[5]2C)3(F)3{12|H<1>}	111.8107	0.859	3	111.8107	0.737	3	111.8107	0.737	3	111.8107	0.737	3	111.8107	0.737	3	112.4855	2.313	4
999	490	578	0:SP3_SP3_SPD6	N[5,5]	C	Ga[4x5]	6:4:4:4:	4:4:1:1:	4:4:2:2:2:2:	Ga[4x5]-6:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C-4:H-1:H-1:	N[5,5]-4:N[5,5]-4:O[5]-2:O[5]-2:O[5]-2:O[5]-2:	N[5,5](Ga[4x5]N[5,5]O[5]4)(C[5]C[5]HH)2(CCHH)	C(N[5,5]Ga[4x5]C[5]2)(CHHN)(H)2	Ga[4x5](N[5,5]C[5]2C)2(O[5]C[5])4	N[5,5](Ga[4x5]N[5,5]O[5]4)(C[5]C[5]HH)2(CCHH){2|C<3>,2|O<1>,3|C<4>}	C(N[5,5]Ga[4x5]C[5]2)(CHHN)(H)2	Ga[4x5](N[5,5]C[5]2C)2(O[5]C[5])4{4|O<1>,8|H<1>}	114.5100	0.000	1	114.5100	0.000	1	114.5100	0.000	1	114.5100	0.000	1	114.5100	0.000	1	112.4855	2.313	4
999	490	610	0:SP3_SP3_SP3	N[5,6]	C	B	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:C[5,6]-4:B-4:C-4:	N[5,6]-4:H-1:H-1:H-1:	N[5,6]-4:H-1:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]H)2(BH3)(CH3)	C(N[5,6]C[5,6]2B)(H)3	B(N[5,6]C[5,6]2C)(H)3	N[5,6](C[5,6]C[5]C[6]H)2(BH3)(CH3){1|C<4>,8|H<1>}	C(N[5,6]C[5,6]2B)(H)3	B(N[5,6]C[5,6]2C)(H)3	106.0040	0.000	1	106.0040	0.000	1	106.0040	0.000	1	106.0040	0.000	1	106.0040	0.000	1	109.1647	4.429	7
999	490	610	0:SP3_SP3_SP3	N[5]	C	B	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:B-4:	C[6a]-3:N[5]-4:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH)(BH3)	C(C[6a]C[6a]2)(N[5]C[5]2B)(H)2	B(N[5]C[5]2C)(H)3	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH)(BH3){4|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2B)(H)2	B(N[5]C[5]2C)(H)3	111.6170	0.000	1	111.6170	0.000	1	111.6170	0.000	1	111.6170	0.000	1	109.6915	2.984	6	109.1647	4.429	7
999	490	610	0:SP3_SP3_SP3	N[5]	C	B	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:B-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(BH3)(CH3)	C(N[5]C[5]2B)(H)3	B(N[5]C[5]2C)(H)3	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(BH3)(CH3){2|C<3>}	C(N[5]C[5]2B)(H)3	B(N[5]C[5]2C)(H)3	109.4660	0.000	1	109.4660	0.000	1	109.3120	1.499	3	109.3120	1.499	3	109.6915	2.984	6	109.1647	4.429	7
999	490	610	0:SP3_SP3_SP3	N[5]	C	B	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:B-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:H-1:H-1:H-1:	N[5](C[5]C[5,6a]SiH)(C[5]C[5,6a]HH)(BH3)(CH3)	C(N[5]C[5]2B)(H)3	B(N[5]C[5]2C)(H)3	N[5](C[5]C[5,6a]SiH)(C[5]C[5,6a]HH)(BH3)(CH3){2|C<3>}	C(N[5]C[5]2B)(H)3	B(N[5]C[5]2C)(H)3	109.2350	1.721	2	109.2350	2.962	2	109.3120	1.499	3	109.3120	1.499	3	109.6915	2.984	6	109.1647	4.429	7
999	490	610	0:SP3_SP3_SP3	N[5]	C	B	4:4:4:4:	4:1:1:1:	4:4:1:1:	C[5]-4:C[5]-4:B-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:C-4:H-1:H-1:	N[5](C[5]C[5]HH)2(BCHH)(CH3)	C(N[5]C[5]2B)(H)3	B(N[5]C[5]2C)(CC[6a]CH)(H)2	N[5](C[5]C[5]HH)2(BCHH)(CH3){4|H<1>}	C(N[5]C[5]2B)(H)3	B(N[5]C[5]2C)(CC[6a]CH)(H)2	109.2980	2.734	2	109.2980	7.473	2	109.2980	7.473	2	109.2980	7.473	2	109.6915	2.984	6	109.1647	4.429	7
999	490	643	0:SP3_SP2_SP3	N[5]	C	C[6a]	4:3:4:4:	4:4:1:1:	4:3:3:	B[5]-4:C[6a]-3:C[5]-4:C-4:	N[5]-4:C-4:H-1:H-1:	N[5]-4:C[6a]-3:C[6a]-3:	N[5](B[5]C[6a]2C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(CCHH)	C(N[5]C[6a]B[5]C[5])(CCHH)(H)2	C[6a](N[5]B[5]C[5]C)(C[6a]C[6a]H)2	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>}	C(N[5]C[6a]B[5]C[5])(CCHH)(H)2	C[6a](N[5]B[5]C[5]C)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	111.9500	0.000	1	111.9500	0.000	1	111.9500	0.000	1	111.9500	0.000	1	111.9500	0.000	1	111.9500	0.000	1
999	490	679	0:SP3_SP3_SP3	N[5]	C	B[5,6a]	4:4:4:4:	4:1:1:1:	3:3:4:2:	B[5,6a]-4:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	C[6a,6a]-3:N[5,6a]-3:N[5]-4:O-2:	N[5](B[5,6a]C[6a,6a]N[5,6a]O)(C[5]C[5]CH)(CH3)2	C(N[5]B[5,6a]C[5]C)(H)3	B[5,6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[6a]C[5])(N[5]C[5]CC)(OH)	N[5](B[5,6a]C[6a,6a]N[5,6a]O)(C[5]C[5]CH)(CH3)2{1|N<2>,1|O<1>,2|C<3>}	C(N[5]B[5,6a]C[5]C)(H)3	B[5,6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[6a]C[5])(N[5]C[5]CC)(OH){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	112.6135	1.883	2	112.6135	3.546	2	112.6135	3.546	2	112.6135	3.546	2	112.1171	4.380	8	112.1171	4.380	8
999	490	679	0:SP3_SP3_SP3	N[5]	C	B[5,6a]	4:4:4:4:	4:1:1:1:	3:4:2:2:	B[5,6a]-4:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	C[5,6a]-3:N[5]-4:O[6a]-2:O[6a]-2:	N[5](B[5,6a]C[5,6a]O[6a]2)(C[5]C[5,6a]HH)(CH3)2	C(N[5]B[5,6a]C[5]C)(H)3	B[5,6a](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(O[6a]B[6a])2	N[5](B[5,6a]C[5,6a]O[6a]2)(C[5]C[5,6a]HH)(CH3)2{2|B<3>,2|C<3>}	C(N[5]B[5,6a]C[5]C)(H)3	B[5,6a](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(O[6a]B[6a])2{1|O<2>,3|H<1>,4|C<3>}	111.9517	2.300	6	111.9517	5.291	6	111.9517	5.291	6	111.9517	5.291	6	112.1171	4.380	8	112.1171	4.380	8
999	490	727	0:SP3_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:B[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	C[5,6a,6a]-3:C[6a]-3:N[5]-4:	N[5](C[5,6a]C[5,6a,6a]C[6a])(B[5]C[5,6a]FF)(CH3)2	C(N[5]C[5,6a]B[5]C)(H)3	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]B[5]CC)	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>}	C(N[5]C[5,6a]B[5]C)(H)3	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]B[5]CC){1|H<1>,2|F<1>,3|C<3>}	110.0140	0.601	2	110.0140	0.361	2	110.0140	0.361	2	110.6617	4.071	24	110.6121	3.915	26	110.6121	3.915	26
999	490	727	0:SP3_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:B[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-4:	N[5](C[5,6a]C[5,6a]C[6a])(B[5]C[6a]C[5]C)(CH3)2	C(N[5]C[5,6a]B[5]C)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]B[5]CC)	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>}	C(N[5]C[5,6a]B[5]C)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]B[5]CC){1|C<4>,2|C<3>,4|H<1>}	110.6090	3.553	2	110.6090	12.620	2	110.1754	4.986	8	110.6617	4.071	24	110.6121	3.915	26	110.6121	3.915	26
999	490	727	0:SP3_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:B[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-4:	N[5](C[5,6a]C[5,6a]C[6a])(B[5]C[6a]C[5]Cl)(CH3)2	C(N[5]C[5,6a]B[5]C)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]B[5]CC)	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>}	C(N[5]C[5,6a]B[5]C)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]B[5]CC){1|Cl<1>,2|C<3>,4|H<1>}	109.8230	3.606	2	109.8230	13.005	2	110.1754	4.986	8	110.6617	4.071	24	110.6121	3.915	26	110.6121	3.915	26
999	490	727	0:SP3_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:B[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-4:	N[5](C[5,6a]C[5,6a]C[6a])(B[5]P[5]BrH)(CH3)2	C(N[5]C[5,6a]B[5]C)(H)3	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]B[5]CC)	N[5](C[5,6a]C[5,6a]C[6a])(B[5]P[5]BrH)(CH3)2{1|H<1>,4|C<3>}	C(N[5]C[5,6a]B[5]C)(H)3	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]B[5]CC){1|Br<1>,3|C<3>,3|H<1>}	110.1495	1.959	2	110.1495	3.839	2	110.1754	4.986	8	110.6617	4.071	24	110.6121	3.915	26	110.6121	3.915	26
999	490	727	0:SP3_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:B[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-4:	N[5](C[5,6a]C[5,6a]C[6a])(B[5]P[5]HH)(CH3)2	C(N[5]C[5,6a]B[5]C)(H)3	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]B[5]CC)	N[5](C[5,6a]C[5,6a]C[6a])(B[5]P[5]HH)(CH3)2{1|H<1>,4|C<3>}	C(N[5]C[5,6a]B[5]C)(H)3	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]B[5]CC){3|C<3>,4|H<1>}	110.1200	2.192	2	110.1200	4.805	2	110.1754	4.986	8	110.6617	4.071	24	110.6121	3.915	26	110.6121	3.915	26
999	490	727	0:SP3_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	C[5,6a,6a]-3:C[6a]-3:N[5]-4:	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5]H)(CH3)2	C(N[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]C[5]CC)	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5]H)(CH3)2{1|H<1>,5|C<3>}	C(N[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]C[5]CC){2|H<1>,4|C<3>}	111.1170	2.024	4	111.1170	4.097	4	111.0289	4.009	12	110.6617	4.071	24	110.6121	3.915	26	110.6121	3.915	26
999	490	727	0:SP3_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	C[5,6a,6a]-3:C[6a]-3:N[5]-4:	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6]H)(CH3)2	C(N[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]C[5]CC)	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6]H)(CH3)2{1|H<1>,5|C<3>}	C(N[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]C[5]CC){2|H<1>,4|C<3>}	110.9838	2.969	4	110.9838	8.815	4	111.0289	4.009	12	110.6617	4.071	24	110.6121	3.915	26	110.6121	3.915	26
999	490	727	0:SP3_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	C[5,6a,6a]-3:C[6a]-3:N[5]-4:	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HO)(CH3)2	C(N[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]C[5]CC)	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HO)(CH3)2{1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]C[5]CC){1|O<2>,2|H<1>,3|C<3>}	110.9860	1.331	4	110.9860	1.771	4	111.0289	4.009	12	110.6617	4.071	24	110.6121	3.915	26	110.6121	3.915	26
999	490	727	0:SP3_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]B[5,5]FF)(CH3)2	C(N[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]B[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]CC)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]B[5,5]FF)(CH3)2{1|H<1>,2|C<3>,2|O<2>}	C(N[5]C[5,6a]C[5]C)(H)3	C[5,6a](C[5,6a]B[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]CC){1|C<3>,2|F<1>,2|H<1>,2|O<2>}	111.0515	3.103	2	111.0515	9.632	2	111.0515	9.632	2	110.6617	4.071	24	110.6121	3.915	26	110.6121	3.915	26
999	490	727	0:SP3_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:4:	4:1:1:1:	3:4:3:	C[5,6a]-3:Ga[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	C[5,6a,6a]-3:N[5]-4:C[6a]-3:	N[5](C[5,6a]C[5,6a,6a]C[6a])(Ga[5]C[5,6a]Cl2)(CH3)2	C(N[5]C[5,6a]Ga[5]C)(H)3	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(N[5]Ga[5]CC)(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a,6a]C[6a])(Ga[5]C[5,6a]Cl2)(CH3)2{1|H<1>,3|C<3>}	C(N[5]C[5,6a]Ga[5]C)(H)3	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(N[5]Ga[5]CC)(C[6a]C[6a]H){2|Cl<1>,1|H<1>,3|C<3>}	110.0165	1.860	2	110.0165	3.461	2	110.0165	3.461	2	110.0165	3.461	2	110.6121	3.915	26	110.6121	3.915	26
999	490	786	0:SP3_SP3_SP3	N[3x5,6]	C	B[3x5]	4:4:4:4:	4:3:1:1:	4:4:2:2:	B[3x5]-4:C[5,5,6]-4:C[5,5,6]-4:C-4:	N[3x5,6]-4:C[6a]-3:H-1:H-1:	C[5,5,6]-4:N[3x5,6]-4:O[5]-2:O[5]-2:	N[3x5,6](B[3x5]C[5,5,6]O[5]2)(C[5,5,6]C[5,6]C[5]H)2(CC[6a]HH)	C(N[3x5,6]C[5,5,6]2B[3x5])(C[6a]C[6a]2)(H)2	B[3x5](C[5,5,6]C[5,6]2C[6a])(N[3x5,6]C[5,5,6]2C)(O[5]C[5])2	N[3x5,6](B[3x5]C[5,5,6]O[5]2)(C[5,5,6]C[5,6]C[5]H)2(CC[6a]HH){1|C<3>,1|S<2>,2|C<4>,7|H<1>}	C(N[3x5,6]C[5,5,6]2B[3x5])(C[6a]C[6a]2)(H)2	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>}	113.7570	0.000	1	113.7570	0.000	1	113.7570	0.000	1	113.7570	0.000	1	113.7570	0.000	1	113.8481	7.626	122
999	490	786	0:SP3_SP3_SP3	N[5,5]	C	B[5,5]	4:4:4:4:	4:1:1:1:	3:4:2:2:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:H-1:H-1:H-1:	C[5a]-3:N[5,5]-4:O[5]-2:O[5]-2:	N[5,5](B[5,5]C[5a]O[5]2)(C[5]C[5]HH)2(CH3)	C(N[5,5]B[5,5]C[5]2)(H)3	B[5,5](C[5a]C[5a,6a]C[5a])(N[5,5]C[5]2C)(O[5]C[5])2	N[5,5](B[5,5]C[5a]O[5]2)(C[5]C[5]HH)2(CH3){2|C<3>,2|O<1>}	C(N[5,5]B[5,5]C[5]2)(H)3	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>}	113.8610	0.000	1	113.8610	0.000	1	114.6721	0.700	9	114.9605	1.068	12	115.2861	2.346	65	113.8481	7.626	122
999	490	786	0:SP3_SP3_SP3	N[5,5]	C	B[5,5]	4:4:4:4:	4:1:1:1:	3:4:2:2:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:H-1:H-1:H-1:	C[5a]-3:N[5,5]-4:O[5]-2:O[5]-2:	N[5,5](B[5,5]C[5a]O[5]2)(C[5]C[5]HH)2(CH3)	C(N[5,5]B[5,5]C[5]2)(H)3	B[5,5](C[5a]C[5a]N[5a])(N[5,5]C[5]2C)(O[5]C[5])2	N[5,5](B[5,5]C[5a]O[5]2)(C[5]C[5]HH)2(CH3){1|C<3>,1|N<2>,2|O<1>}	C(N[5,5]B[5,5]C[5]2)(H)3	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>}	113.1110	0.000	1	114.3440	1.188	3	114.6721	0.700	9	114.9605	1.068	12	115.2861	2.346	65	113.8481	7.626	122
999	490	786	0:SP3_SP3_SP3	N[5,5]	C	B[5,5]	4:4:4:4:	4:1:1:1:	3:4:2:2:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:H-1:H-1:H-1:	C[5a]-3:N[5,5]-4:O[5]-2:O[5]-2:	N[5,5](B[5,5]C[5a]O[5]2)(C[5]C[5]HH)2(CH3)	C(N[5,5]B[5,5]C[5]2)(H)3	B[5,5](C[5a]C[5a]N[5a])(N[5,5]C[5]2C)(O[5]C[5])2	N[5,5](B[5,5]C[5a]O[5]2)(C[5]C[5]HH)2(CH3){1|C<3>,1|N<2>,2|O<1>}	C(N[5,5]B[5,5]C[5]2)(H)3	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>}	114.9605	0.310	2	114.3440	1.188	3	114.6721	0.700	9	114.9605	1.068	12	115.2861	2.346	65	113.8481	7.626	122
999	490	786	0:SP3_SP3_SP3	N[5,5]	C	B[5,5]	4:4:4:4:	4:1:1:1:	3:4:2:2:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:H-1:H-1:H-1:	C[5a]-3:N[5,5]-4:O[5]-2:O[5]-2:	N[5,5](B[5,5]C[5a]O[5]2)(C[5]C[5]HH)2(CH3)	C(N[5,5]B[5,5]C[5]2)(H)3	B[5,5](C[5a]C[5a]S[5a])(N[5,5]C[5]2C)(O[5]C[5])2	N[5,5](B[5,5]C[5a]O[5]2)(C[5]C[5]HH)2(CH3){1|C<3>,1|S<2>,2|O<1>}	C(N[5,5]B[5,5]C[5]2)(H)3	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>}	115.5030	0.000	1	115.0312	0.400	5	114.6721	0.700	9	114.9605	1.068	12	115.2861	2.346	65	113.8481	7.626	122
999	490	786	0:SP3_SP3_SP3	N[5,5]	C	B[5,5]	4:4:4:4:	4:1:1:1:	3:4:2:2:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:H-1:H-1:H-1:	C[5a]-3:N[5,5]-4:O[5]-2:O[5]-2:	N[5,5](B[5,5]C[5a]O[5]2)(C[5]C[5]HH)2(CH3)	C(N[5,5]B[5,5]C[5]2)(H)3	B[5,5](C[5a]C[5a]S[5a])(N[5,5]C[5]2C)(O[5]C[5])2	N[5,5](B[5,5]C[5a]O[5]2)(C[5]C[5]HH)2(CH3){1|C<3>,1|S<2>,2|O<1>}	C(N[5,5]B[5,5]C[5]2)(H)3	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>}	115.3335	0.759	2	115.0312	0.400	5	114.6721	0.700	9	114.9605	1.068	12	115.2861	2.346	65	113.8481	7.626	122
999	490	786	0:SP3_SP3_SP3	N[5,5]	C	B[5,5]	4:4:4:4:	4:1:1:1:	3:4:2:2:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:H-1:H-1:H-1:	C[5a]-3:N[5,5]-4:O[5]-2:O[5]-2:	N[5,5](B[5,5]C[5a]O[5]2)(C[5]C[5]HH)2(CH3)	C(N[5,5]B[5,5]C[5]2)(H)3	B[5,5](C[5a]C[5a]S[5a])(N[5,5]C[5]2C)(O[5]C[5])2	N[5,5](B[5,5]C[5a]O[5]2)(C[5]C[5]HH)2(CH3){1|C<3>,1|S<2>,2|O<1>}	C(N[5,5]B[5,5]C[5]2)(H)3	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>}	114.4930	0.202	2	115.0312	0.400	5	114.6721	0.700	9	114.9605	1.068	12	115.2861	2.346	65	113.8481	7.626	122
999	490	786	0:SP3_SP3_SP3	N[5,5]	C	B[5,5]	4:4:4:4:	4:1:1:1:	3:4:2:2:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:H-1:H-1:H-1:	C[6a]-3:N[5,5]-4:O[5]-2:O[5]-2:	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(CH3)	C(N[5,5]B[5,5]C[5]2)(H)3	B[5,5](C[6a]C[6a]N[6a])(N[5,5]C[5]2C)(O[5]C[5])2	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(CH3){1|C<3>,1|N<2>,2|O<1>}	C(N[5,5]B[5,5]C[5]2)(H)3	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>}	115.7730	0.000	1	115.8257	1.577	3	115.8257	1.577	3	114.9605	1.068	12	115.2861	2.346	65	113.8481	7.626	122
999	490	786	0:SP3_SP3_SP3	N[5,5]	C	B[5,5]	4:4:4:4:	4:1:1:1:	3:4:2:2:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:H-1:H-1:H-1:	C[6a]-3:N[5,5]-4:O[5]-2:O[5]-2:	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(CH3)	C(N[5,5]B[5,5]C[5]2)(H)3	B[5,5](C[6a]C[6a]N[6a])(N[5,5]C[5]2C)(O[5]C[5])2	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(CH3){1|C<3>,1|N<2>,2|O<1>}	C(N[5,5]B[5,5]C[5]2)(H)3	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>}	114.5970	0.000	1	115.8257	1.577	3	115.8257	1.577	3	114.9605	1.068	12	115.2861	2.346	65	113.8481	7.626	122
999	490	786	0:SP3_SP3_SP3	N[5,5]	C	B[5,5]	4:4:4:4:	4:1:1:1:	3:4:2:2:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:H-1:H-1:H-1:	C[6a]-3:N[5,5]-4:O[5]-2:O[5]-2:	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(CH3)	C(N[5,5]B[5,5]C[5]2)(H)3	B[5,5](C[6a]C[6a]N[6a])(N[5,5]C[5]2C)(O[5]C[5])2	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(CH3){1|C<3>,1|N<2>,4|H<1>}	C(N[5,5]B[5,5]C[5]2)(H)3	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>}	117.1070	0.000	1	115.8257	1.577	3	115.8257	1.577	3	114.9605	1.068	12	115.2861	2.346	65	113.8481	7.626	122
999	490	786	0:SP3_SP3_SP3	N[5,5]	C	B[5,5]	4:4:4:4:	4:1:1:1:	4:2:2:2:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:H-1:H-1:H-1:	N[5,5]-4:O[5]-2:O[5]-2:C-2:	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3)	C(N[5,5]B[5,5]C[5]2)(H)3	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CC)	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3){2|O<1>}	C(N[5,5]B[5,5]C[5]2)(H)3	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CC){2|O<1>,4|H<1>}	114.1904	0.453	5	114.1904	0.205	5	114.1904	0.205	5	114.4091	0.359	7	115.2861	2.346	65	113.8481	7.626	122
999	490	786	0:SP3_SP3_SP3	N[5,5]	C	B[5,5]	4:4:4:4:	4:1:1:1:	4:2:2:2:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:H-1:H-1:H-1:	N[5,5]-4:O[5]-2:O[5]-2:O-2:	N[5,5](B[5,5]O[5]2O)(C[5]C[5]HH)2(CH3)	C(N[5,5]B[5,5]C[5]2)(H)3	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(OC)	N[5,5](B[5,5]O[5]2O)(C[5]C[5]HH)2(CH3){2|O<1>}	C(N[5,5]B[5,5]C[5]2)(H)3	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(OC){2|O<1>,4|H<1>}	114.9560	0.707	2	114.9560	0.500	2	114.9560	0.500	2	114.4091	0.359	7	115.2861	2.346	65	113.8481	7.626	122
999	490	786	0:SP3_SP3_SP3	N[5,5]	C	B[5,5]	4:4:4:4:	4:1:1:1:	4:2:2:3:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:H-1:H-1:H-1:	N[5,5]-4:O[5]-2:O[5]-2:C-3:	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3)	C(N[5,5]B[5,5]C[5]2)(H)3	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CCC)	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3){2|O<1>}	C(N[5,5]B[5,5]C[5]2)(H)3	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CCC){2|O<1>,4|H<1>}	115.8220	0.000	1	115.8220	0.000	1	115.2288	0.596	11	115.2288	0.596	11	115.2861	2.346	65	113.8481	7.626	122
999	490	786	0:SP3_SP3_SP3	N[5,5]	C	B[5,5]	4:4:4:4:	4:1:1:1:	4:2:2:3:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:H-1:H-1:H-1:	N[5,5]-4:O[5]-2:O[5]-2:C-3:	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3)	C(N[5,5]B[5,5]C[5]2)(H)3	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CCH)	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3){2|O<1>}	C(N[5,5]B[5,5]C[5]2)(H)3	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CCH){2|O<1>,4|H<1>}	115.3193	0.943	3	115.3193	0.888	3	115.2288	0.596	11	115.2288	0.596	11	115.2861	2.346	65	113.8481	7.626	122
999	490	786	0:SP3_SP3_SP3	N[5,5]	C	B[5,5]	4:4:4:4:	4:1:1:1:	4:2:2:3:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:H-1:H-1:H-1:	N[5,5]-4:O[5]-2:O[5]-2:C-3:	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3)	C(N[5,5]B[5,5]C[5]2)(H)3	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CCI)	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3){2|O<1>}	C(N[5,5]B[5,5]C[5]2)(H)3	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CCI){2|O<1>,4|H<1>}	114.6125	0.436	2	114.6125	0.190	2	115.2288	0.596	11	115.2288	0.596	11	115.2861	2.346	65	113.8481	7.626	122
999	490	786	0:SP3_SP3_SP3	N[5,5]	C	B[5,5]	4:4:4:4:	4:1:1:1:	4:2:2:3:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:H-1:H-1:H-1:	N[5,5]-4:O[5]-2:O[5]-2:C-3:	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3)	C(N[5,5]B[5,5]C[5]2)(H)3	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CCO)	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3){2|O<1>}	C(N[5,5]B[5,5]C[5]2)(H)3	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CCO){2|O<1>,4|H<1>}	115.2930	1.125	3	115.2930	1.266	3	115.2288	0.596	11	115.2288	0.596	11	115.2861	2.346	65	113.8481	7.626	122
999	490	786	0:SP3_SP3_SP3	N[5,5]	C	B[5,5]	4:4:4:4:	4:1:1:1:	4:2:2:3:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:H-1:H-1:H-1:	N[5,5]-4:O[5]-2:O[5]-2:C-3:	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3)	C(N[5,5]B[5,5]C[5]2)(H)3	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CC[5]H)	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3){2|O<1>}	C(N[5,5]B[5,5]C[5]2)(H)3	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CC[5]H){2|O<1>,4|H<1>}	115.6990	0.000	1	115.6990	0.000	1	115.2288	0.596	11	115.2288	0.596	11	115.2861	2.346	65	113.8481	7.626	122
999	490	786	0:SP3_SP3_SP3	N[5,5]	C	B[5,5]	4:4:4:4:	4:1:1:1:	4:2:2:3:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:H-1:H-1:H-1:	N[5,5]-4:O[5]-2:O[5]-2:C-3:	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3)	C(N[5,5]B[5,5]C[5]2)(H)3	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CC[6a]C)	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3){2|O<1>}	C(N[5,5]B[5,5]C[5]2)(H)3	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CC[6a]C){2|O<1>,4|H<1>}	114.9340	0.000	1	114.9340	0.000	1	115.2288	0.596	11	115.2288	0.596	11	115.2861	2.346	65	113.8481	7.626	122
999	490	786	0:SP3_SP3_SP3	N[5,5]	C	B[5,5]	4:4:4:4:	4:1:1:1:	4:2:2:4:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:H-1:H-1:H-1:	N[5,5]-4:O[5]-2:O[5]-2:C-4:	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3)	C(N[5,5]B[5,5]C[5]2)(H)3	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CBrCH)	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3){2|O<1>}	C(N[5,5]B[5,5]C[5]2)(H)3	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CBrCH){2|O<1>,4|H<1>}	116.6640	0.000	1	116.6640	0.000	1	116.1535	0.222	6	116.1535	0.222	6	115.2861	2.346	65	113.8481	7.626	122
999	490	786	0:SP3_SP3_SP3	N[5,5]	C	B[5,5]	4:4:4:4:	4:1:1:1:	4:2:2:4:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:H-1:H-1:H-1:	N[5,5]-4:O[5]-2:O[5]-2:C-4:	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3)	C(N[5,5]B[5,5]C[5]2)(H)3	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CCHI)	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3){2|O<1>}	C(N[5,5]B[5,5]C[5]2)(H)3	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CCHI){2|O<1>,4|H<1>}	116.0063	0.312	3	116.0063	0.098	3	116.1535	0.222	6	116.1535	0.222	6	115.2861	2.346	65	113.8481	7.626	122
999	490	786	0:SP3_SP3_SP3	N[5,5]	C	B[5,5]	4:4:4:4:	4:1:1:1:	4:2:2:4:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:H-1:H-1:H-1:	N[5,5]-4:O[5]-2:O[5]-2:C-4:	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3)	C(N[5,5]B[5,5]C[5]2)(H)3	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CC[6]CH)	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3){2|O<1>}	C(N[5,5]B[5,5]C[5]2)(H)3	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CC[6]CH){2|O<1>,4|H<1>}	116.6600	0.000	1	116.6600	0.000	1	116.1535	0.222	6	116.1535	0.222	6	115.2861	2.346	65	113.8481	7.626	122
999	490	786	0:SP3_SP3_SP3	N[5,5]	C	B[5,5]	4:4:4:4:	4:1:1:1:	4:2:2:4:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:H-1:H-1:H-1:	N[5,5]-4:O[5]-2:O[5]-2:C-4:	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3)	C(N[5,5]B[5,5]C[5]2)(H)3	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CHHN)	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3){2|O<1>}	C(N[5,5]B[5,5]C[5]2)(H)3	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CHHN){2|O<1>,4|H<1>}	115.5780	0.000	1	115.5780	0.000	1	116.1535	0.222	6	116.1535	0.222	6	115.2861	2.346	65	113.8481	7.626	122
999	490	786	0:SP3_SP3_SP3	N[5,5]	C	B[5,5]	4:4:4:4:	4:1:1:1:	4:3:2:2:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:H-1:H-1:H-1:	N[5,5]-4:C[6a]-3:O[5]-2:O[5]-2:	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(CH3)	C(N[5,5]B[5,5]C[5]2)(H)3	B[5,5](N[5,5]C[5]2C)(C[6a]C[6a]2)(O[5]C[5])2	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(CH3){2|C<3>,2|O<1>}	C(N[5,5]B[5,5]C[5]2)(H)3	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>}	115.5110	0.000	1	115.1166	0.166	9	115.1166	0.166	9	115.1166	0.166	9	115.2861	2.346	65	113.8481	7.626	122
999	490	786	0:SP3_SP3_SP3	N[5,5]	C	B[5,5]	4:4:4:4:	4:1:1:1:	4:3:2:2:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:H-1:H-1:H-1:	N[5,5]-4:C[6a]-3:O[5]-2:O[5]-2:	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(CH3)	C(N[5,5]B[5,5]C[5]2)(H)3	B[5,5](N[5,5]C[5]2C)(C[6a]C[6a]2)(O[5]C[5])2	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(CH3){2|C<3>,2|O<1>}	C(N[5,5]B[5,5]C[5]2)(H)3	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>}	114.9950	0.000	1	115.1166	0.166	9	115.1166	0.166	9	115.1166	0.166	9	115.2861	2.346	65	113.8481	7.626	122
999	490	786	0:SP3_SP3_SP3	N[5,5]	C	B[5,5]	4:4:4:4:	4:1:1:1:	4:3:2:2:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:H-1:H-1:H-1:	N[5,5]-4:C[6a]-3:O[5]-2:O[5]-2:	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(CH3)	C(N[5,5]B[5,5]C[5]2)(H)3	B[5,5](N[5,5]C[5]2C)(C[6a]C[6a]2)(O[5]C[5])2	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(CH3){2|C<3>,2|O<1>}	C(N[5,5]B[5,5]C[5]2)(H)3	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>}	115.1180	0.000	1	115.1166	0.166	9	115.1166	0.166	9	115.1166	0.166	9	115.2861	2.346	65	113.8481	7.626	122
999	490	786	0:SP3_SP3_SP3	N[5,5]	C	B[5,5]	4:4:4:4:	4:1:1:1:	4:3:2:2:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:H-1:H-1:H-1:	N[5,5]-4:C[6a]-3:O[5]-2:O[5]-2:	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(CH3)	C(N[5,5]B[5,5]C[5]2)(H)3	B[5,5](N[5,5]C[5]2C)(C[6a]C[6a]2)(O[5]C[5])2	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(CH3){2|C<3>,2|O<1>}	C(N[5,5]B[5,5]C[5]2)(H)3	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>}	114.9216	0.344	5	115.1166	0.166	9	115.1166	0.166	9	115.1166	0.166	9	115.2861	2.346	65	113.8481	7.626	122
999	490	786	0:SP3_SP3_SP3	N[5,5]	C	B[5,5]	4:4:4:4:	4:1:1:1:	4:3:2:2:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:H-1:H-1:H-1:	N[5,5]-4:C[6a]-3:O[5]-2:O[5]-2:	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(CH3)	C(N[5,5]B[5,5]C[5]2)(H)3	B[5,5](N[5,5]C[5]2C)(C[6a]C[6a]2)(O[5]C[5])2	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(CH3){2|C<3>,4|H<1>}	C(N[5,5]B[5,5]C[5]2)(H)3	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>}	115.8170	0.000	1	115.1166	0.166	9	115.1166	0.166	9	115.1166	0.166	9	115.2861	2.346	65	113.8481	7.626	122
999	490	786	0:SP3_SP3_SP3	N[5,5]	C	B[5,5]	4:4:4:4:	4:1:1:1:	4:4:2:2:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:H-1:H-1:H-1:	C[5]-4:N[5,5]-4:O[5]-2:O[5]-2:	N[5,5](B[5,5]C[5]O[5]2)(C[5]C[5]HH)2(CH3)	C(N[5,5]B[5,5]C[5]2)(H)3	B[5,5](C[5]C[5]O[5]H)(N[5,5]C[5]2C)(O[5]C[5])2	N[5,5](B[5,5]C[5]O[5]2)(C[5]C[5]HH)2(CH3){1|C<4>,1|H<1>,1|O<2>,2|O<1>}	C(N[5,5]B[5,5]C[5]2)(H)3	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>}	114.7960	0.604	3	114.7960	0.364	3	114.7960	0.364	3	115.2082	0.357	10	115.2861	2.346	65	113.8481	7.626	122
999	490	786	0:SP3_SP3_SP3	N[5,5]	C	B[5,5]	4:4:4:4:	4:1:1:1:	4:4:2:2:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:H-1:H-1:H-1:	C[6]-4:N[5,5]-4:O[5]-2:O[5]-2:	N[5,5](B[5,5]C[6]O[5]2)(C[5]C[5]HH)2(CH3)	C(N[5,5]B[5,5]C[5]2)(H)3	B[5,5](C[6]C[6]O[6]H)(N[5,5]C[5]2C)(O[5]C[5])2	N[5,5](B[5,5]C[6]O[5]2)(C[5]C[5]HH)2(CH3){1|C<4>,1|H<1>,1|O<2>,2|O<1>}	C(N[5,5]B[5,5]C[5]2)(H)3	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>}	115.5810	0.000	1	115.5810	0.000	1	115.5810	0.000	1	115.2082	0.357	10	115.2861	2.346	65	113.8481	7.626	122
999	490	786	0:SP3_SP3_SP3	N[5,5]	C	B[5,5]	4:4:4:4:	4:1:1:1:	4:4:2:2:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:H-1:H-1:H-1:	N[5,5]-4:C-4:O[5]-2:O[5]-2:	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3)	C(N[5,5]B[5,5]C[5]2)(H)3	B[5,5](N[5,5]C[5]2C)(CN[5a]HH)(O[5]C[5])2	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CH3){2|O<1>}	C(N[5,5]B[5,5]C[5]2)(H)3	B[5,5](N[5,5]C[5]2C)(CN[5a]HH)(O[5]C[5])2{2|O<1>,4|H<1>}	115.3440	0.494	2	115.3440	0.244	2	115.3440	0.244	2	115.2082	0.357	10	115.2861	2.346	65	113.8481	7.626	122
999	490	786	0:SP3_SP3_SP3	N[5,5]	C	B[5,5]	4:4:4:4:	4:1:1:1:	4:4:2:2:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:H-1:H-1:H-1:	N[5,5]-4:C[3]-4:O[5]-2:O[5]-2:	N[5,5](B[5,5]C[3]O[5]2)(C[5]C[5]HH)2(CH3)	C(N[5,5]B[5,5]C[5]2)(H)3	B[5,5](N[5,5]C[5]2C)(C[3]C[3]2H)(O[5]C[5])2	N[5,5](B[5,5]C[3]O[5]2)(C[5]C[5]HH)2(CH3){1|H<1>,2|C<4>,2|O<1>}	C(N[5,5]B[5,5]C[5]2)(H)3	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>}	115.3563	0.700	4	115.3563	0.491	4	115.3563	0.491	4	115.2082	0.357	10	115.2861	2.346	65	113.8481	7.626	122
999	490	786	0:SP3_SP3_SP3	N[5,5]	C	B[5,5]	4:4:4:4:	4:3:1:1:	4:2:2:3:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C[6a]-3:H-1:H-1:	N[5,5]-4:O[5]-2:O[5]-2:C-3:	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CC[6a]HH)	C(N[5,5]B[5,5]C[5]2)(C[6a]C[6a]2)(H)2	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CCC)	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CC[6a]HH){2|C<3>,2|H<1>}	C(N[5,5]B[5,5]C[5]2)(C[6a]C[6a]2)(H)2	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CCC){2|C<3>,6|H<1>}	115.6110	0.987	3	115.6110	0.974	3	115.6110	0.974	3	115.6110	0.974	3	115.2861	2.346	65	113.8481	7.626	122
999	490	786	0:SP3_SP3_SP3	N[5,5]	C	B[5,5]	4:4:4:4:	4:4:1:1:	3:4:4:1:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C-4:H-1:H-1:	C[5,6a]-3:N[5,5]-4:C[5]-4:H-1:	N[5,5](B[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5]HH)(CCHH)	C(N[5,5]B[5,5]C[5]2)(CCHH)(H)2	B[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2C)(C[5]C[5]CH)(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){1|C<4>,2|C<3>,3|H<1>}	C(N[5,5]B[5,5]C[5]2)(CCHH)(H)2	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>}	116.2390	0.000	1	116.2390	0.000	1	113.4165	15.933	2	113.4165	15.933	2	115.2861	2.346	65	113.8481	7.626	122
999	490	786	0:SP3_SP3_SP3	N[5,5]	C	B[5,5]	4:4:4:4:	4:4:1:1:	3:4:4:1:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C-4:H-1:H-1:	C[5,6a]-3:N[5,5]-4:C[5]-4:H-1:	N[5,5](B[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5]HH)(CCHH)	C(N[5,5]B[5,5]C[5]2)(CCHH)(H)2	B[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2C)(C[5]C[5]HH)(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){2|C<3>,2|C<4>,2|H<1>}	C(N[5,5]B[5,5]C[5]2)(CCHH)(H)2	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>}	110.5940	0.000	1	110.5940	0.000	1	113.4165	15.933	2	113.4165	15.933	2	115.2861	2.346	65	113.8481	7.626	122
999	490	786	0:SP3_SP3_SP3	N[5,5]	C	B[5,5]	4:4:4:4:	4:4:1:1:	4:2:2:3:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C-4:H-1:H-1:	N[5,5]-4:O[5]-2:O[5]-2:C-3:	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CCHH)	C(N[5,5]B[5,5]C[5]2)(CCCH)(H)2	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CCC)	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CCHH){2|C<3>,2|H<1>}	C(N[5,5]B[5,5]C[5]2)(CCCH)(H)2	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CCC){2|C<3>,6|H<1>}	115.1680	0.000	1	115.1680	0.000	1	115.1680	0.000	1	115.1680	0.000	1	115.2861	2.346	65	113.8481	7.626	122
999	490	786	0:SP3_SP3_SP3	N[5,5]	C	B[5,5]	4:4:4:4:	4:4:1:1:	4:3:2:2:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C-4:H-1:H-1:	N[5,5]-4:C[5a]-3:O[5]-2:O[5]-2:	N[5,5](B[5,5]C[5a]O[5]2)(C[5]C[5]HH)2(CCHH)	C(N[5,5]B[5,5]C[5]2)(CCHH)(H)2	B[5,5](N[5,5]C[5]2C)(C[5a]C[5a]2)(O[5]C[5])2	N[5,5](B[5,5]C[5a]O[5]2)(C[5]C[5]HH)2(CCHH){2|C<3>,4|H<1>}	C(N[5,5]B[5,5]C[5]2)(CCHH)(H)2	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>}	114.9290	0.000	1	114.9290	0.000	1	114.9290	0.000	1	114.1360	1.258	2	115.2861	2.346	65	113.8481	7.626	122
999	490	786	0:SP3_SP3_SP3	N[5,5]	C	B[5,5]	4:4:4:4:	4:4:1:1:	4:3:2:2:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C-4:H-1:H-1:	N[5,5]-4:C[6a]-3:O[5]-2:O[5]-2:	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(CCHH)	C(N[5,5]B[5,5]C[5]2)(CCHH)(H)2	B[5,5](N[5,5]C[5]2C)(C[6a]C[6a]2)(O[5]C[5])2	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(CCHH){2|C<3>,2|O<1>}	C(N[5,5]B[5,5]C[5]2)(CCHH)(H)2	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>}	113.3430	0.000	1	113.3430	0.000	1	113.3430	0.000	1	114.1360	1.258	2	115.2861	2.346	65	113.8481	7.626	122
999	490	786	0:SP3_SP3_SP3	N[5,5]	C	B[5,5]	4:4:4:4:	4:4:4:4:	4:3:2:2:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	N[5,5]-4:C-4:C-4:C-4:	N[5,5]-4:C[6a]-3:O[5]-2:O[5]-2:	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(CC3)	C(N[5,5]B[5,5]C[5]2)(CH3)3	B[5,5](N[5,5]C[5]2C)(C[6a]C[6a]2)(O[5]C[5])2	N[5,5](B[5,5]C[6a]O[5]2)(C[5]C[5]HH)2(CC3){2|C<3>,4|H<1>}	C(N[5,5]B[5,5]C[5]2)(CH3)3	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>}	121.7660	0.024	2	121.7660	0.001	2	121.7660	0.001	2	121.7660	0.001	2	115.2861	2.346	65	113.8481	7.626	122
999	490	786	0:SP3_SP3_SP3	N[5,6]	C	B[5,5,6]	4:4:4:4:	4:1:1:1:	4:4:2:2:	B[5,5,6]-4:B[6]-4:C[5]-4:C-4:	N[5,6]-4:H-1:H-1:H-1:	N[5,6]-4:N[5,5]-4:O[6]-2:O[5]-2:	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)	C(N[5,6]B[5,5,6]B[6]C[5])(H)3	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){1|B<4>,1|C<3>,2|H<1>,3|C<4>}	C(N[5,6]B[5,5,6]B[6]C[5])(H)3	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>}	111.6060	0.000	1	111.6060	0.000	1	111.6060	0.000	1	111.6060	0.000	1	111.6060	0.000	1	113.8481	7.626	122
999	490	786	0:SP3_SP3_SP3	N[5]	C	B[5,5]	4:4:4:4:	4:1:1:1:	3:3:3:4:	B[5,5]-4:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:N[5]-4:	N[5](B[5,5]C[5,6a]3)(C[5]C[5,6a]HH)(CH3)2	C(N[5]B[5,5]C[5]C)(H)3	B[5,5](C[5,6a]C[5,6a]C[6a])3(N[5]C[5]CC)	N[5](B[5,5]C[5,6a]3)(C[5]C[5,6a]HH)(CH3)2{6|C<3>}	C(N[5]B[5,5]C[5]C)(H)3	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>}	113.0880	2.445	2	113.0880	5.979	2	113.0880	5.979	2	113.0880	5.979	2	113.0205	5.225	10	113.8481	7.626	122
999	490	786	0:SP3_SP3_SP3	N[5]	C	B[5,5]	4:4:4:4:	4:1:1:1:	3:4:2:2:	B[5,5]-4:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	C[5,6a]-3:N[5]-4:O[5]-2:O[5]-2:	N[5](B[5,5]C[5,6a]O[5]2)(C[5]C[5,6a]HH)(CH3)2	C(N[5]B[5,5]C[5]C)(H)3	B[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(O[5]C[5])2	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>}	C(N[5]B[5,5]C[5]C)(H)3	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>}	112.5025	3.782	2	112.5025	14.306	2	113.0997	5.869	6	113.0997	5.869	6	113.0205	5.225	10	113.8481	7.626	122
999	490	786	0:SP3_SP3_SP3	N[5]	C	B[5,5]	4:4:4:4:	4:1:1:1:	3:4:2:2:	B[5,5]-4:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	C[5,6a]-3:N[5]-4:O[5]-2:O[5]-2:	N[5](B[5,5]C[5,6a]O[5]2)(C[5]C[5]HH)(CH3)2	C(N[5]B[5,5]C[5]C)(H)3	B[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(O[5]Si[5])(O[5]C[5])	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>}	C(N[5]B[5,5]C[5]C)(H)3	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>}	113.3982	2.158	4	113.3982	4.656	4	113.0997	5.869	6	113.0997	5.869	6	113.0205	5.225	10	113.8481	7.626	122
999	490	786	0:SP3_SP3_SP3	N[5]	C	B[5,5]	4:4:4:4:	4:1:1:1:	4:2:2:2:	B[5,5]-4:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:O[5]-2:O[5]-2:O[5]-2:	N[5](B[5,5]O[5]3)(C[5]C[5]HH)(CH3)2	C(N[5]B[5,5]C[5]C)(H)3	B[5,5](N[5]C[5]CC)(O[5]C[5])3	N[5](B[5,5]O[5]3)(C[5]C[5]HH)(CH3)2{1|H<1>,3|C<4>}	C(N[5]B[5,5]C[5]C)(H)3	B[5,5](N[5]C[5]CC)(O[5]C[5])3{1|C<4>,2|C<3>,5|H<1>}	112.7155	3.386	2	112.7155	11.467	2	112.7155	11.467	2	112.7155	11.467	2	113.0205	5.225	10	113.8481	7.626	122
999	490	786	0:SP3_SP3_SP3	N[5]	C	B[5,6,6]	4:4:4:4:	4:1:1:1:	4:4:4:4:	B[5,6,6]-4:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[5]-4:N[5]-4:	N[5](B[5,6,6]C[6,6]2C[5])(C[5]C[5]HH)(CH3)2	C(N[5]B[5,6,6]C[5]C)(H)3	B[5,6,6](C[6,6]C[6]2H)2(C[5]C[5]HH)(N[5]C[5]CC)	N[5](B[5,6,6]C[6,6]2C[5])(C[5]C[5]HH)(CH3)2{4|C<4>,6|H<1>}	C(N[5]B[5,6,6]C[5]C)(H)3	B[5,6,6](C[6,6]C[6]2H)2(C[5]C[5]HH)(N[5]C[5]CC){12|H<1>,2|C<4>}	114.9735	7.548	2	114.9735	56.978	2	114.9735	56.978	2	114.9735	56.978	2	114.9735	56.978	2	113.8481	7.626	122
999	490	786	0:SP3_SP3_SP3	N[5]	C	B[5,6]	4:4:4:4:	4:1:1:1:	3:4:2:2:	B[5,6]-4:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	C[5,6a]-3:N[5]-4:O[6]-2:O[6]-2:	N[5](B[5,6]C[5,6a]O[6]2)(C[5]C[5,6a]HH)(CC[5]HH)(CH3)	C(N[5]B[5,6]C[5]C)(H)3	B[5,6](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(O[6]B[5,6])2	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>}	C(N[5]B[5,6]C[5]C)(H)3	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>}	108.3373	1.044	3	108.3373	1.091	3	110.6670	7.298	9	110.6670	7.298	9	110.9805	5.703	12	113.8481	7.626	122
999	490	786	0:SP3_SP3_SP3	N[5]	C	B[5,6]	4:4:4:4:	4:1:1:1:	3:4:2:2:	B[5,6]-4:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	C[5,6a]-3:N[5]-4:O[6]-2:O[6]-2:	N[5](B[5,6]C[5,6a]O[6]2)(C[5]C[5,6a]HH)(CH3)2	C(N[5]B[5,6]C[5]C)(H)3	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])	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>}	C(N[5]B[5,6]C[5]C)(H)3	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>}	111.5037	2.099	4	111.5037	4.405	4	110.6670	7.298	9	110.6670	7.298	9	110.9805	5.703	12	113.8481	7.626	122
999	490	786	0:SP3_SP3_SP3	N[5]	C	B[5,6]	4:4:4:4:	4:1:1:1:	3:4:2:2:	B[5,6]-4:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	C[5,6a]-3:N[5]-4:O[6]-2:O[6]-2:	N[5](B[5,6]C[5,6a]O[6]2)(C[5]C[5,6a]HH)(CH3)2	C(N[5]B[5,6]C[5]C)(H)3	B[5,6](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(O[6]C[6])2	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>}	C(N[5]B[5,6]C[5]C)(H)3	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>}	112.4880	4.156	2	112.4880	17.275	2	110.6670	7.298	9	110.6670	7.298	9	110.9805	5.703	12	113.8481	7.626	122
999	490	786	0:SP3_SP3_SP3	N[5]	C	B[5,6]	4:4:4:4:	4:4:1:1:	3:4:2:2:	B[5,6]-4:C[5]-4:C-4:C-4:	N[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:N[5]-4:O[6]-2:O[6]-2:	N[5](B[5,6]C[5,6a]O[6]2)(C[5]C[5,6a]HH)(CC[5]HH)(CH3)	C(N[5]B[5,6]C[5]C)(C[5]C[5]2Fe)(H)2	B[5,6](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(O[6]B[5,6])2	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>}	C(N[5]B[5,6]C[5]C)(C[5]C[5]2Fe)(H)2	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>}	111.9210	0.634	3	111.9210	0.401	3	111.9210	0.401	3	111.9210	0.401	3	110.9805	5.703	12	113.8481	7.626	122
999	490	786	0:SP3_SP3_SP3	N[5]	C	B[5]	3:4:4:4:	4:1:1:1:	3:4:1:1:	C[5,6a]-3:B[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	C[5,6a]-3:N[5]-4:F-1:F-1:	N[5](C[5,6a]C[5,6a,6a]C[6a])(B[5]C[5,6a]FF)(CH3)2	C(N[5]C[5,6a]B[5]C)(H)3	B[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]CC)(F)2	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>}	C(N[5]C[5,6a]B[5]C)(H)3	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>}	111.6680	0.211	2	111.6680	0.044	2	111.6680	0.044	2	111.6680	0.044	2	112.2127	9.183	31	113.8481	7.626	122
999	490	786	0:SP3_SP3_SP3	N[5]	C	B[5]	3:4:4:4:	4:1:1:1:	4:4:1:1:	C[5,6a]-3:B[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	P[5]-4:N[5]-4:Br-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(B[5]P[5]BrH)(CH3)2	C(N[5]C[5,6a]B[5]C)(H)3	B[5](P[5]C[5,6a]C[6a]2)(N[5]C[5,6a]CC)(Br)(H)	N[5](C[5,6a]C[5,6a]C[6a])(B[5]P[5]BrH)(CH3)2{1|H<1>,4|C<3>}	C(N[5]C[5,6a]B[5]C)(H)3	B[5](P[5]C[5,6a]C[6a]2)(N[5]C[5,6a]CC)(Br)(H){6|C<3>}	111.2545	3.208	2	111.2545	10.292	2	111.2545	10.292	2	110.4788	5.011	4	112.2127	9.183	31	113.8481	7.626	122
999	490	786	0:SP3_SP3_SP3	N[5]	C	B[5]	3:4:4:4:	4:1:1:1:	4:4:1:1:	C[5,6a]-3:B[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	P[5]-4:N[5]-4:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(B[5]P[5]HH)(CH3)2	C(N[5]C[5,6a]B[5]C)(H)3	B[5](P[5]C[5,6a]C[6a]2)(N[5]C[5,6a]CC)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(B[5]P[5]HH)(CH3)2{1|H<1>,4|C<3>}	C(N[5]C[5,6a]B[5]C)(H)3	B[5](P[5]C[5,6a]C[6a]2)(N[5]C[5,6a]CC)(H)2{6|C<3>}	109.7030	1.527	2	109.7030	2.333	2	109.7030	2.333	2	110.4788	5.011	4	112.2127	9.183	31	113.8481	7.626	122
999	490	786	0:SP3_SP3_SP3	N[5]	C	B[5]	3:4:4:4:	4:1:1:1:	4:4:3:1:	C[5,6a]-3:B[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-4:C[6a]-3:Cl-1:	N[5](C[5,6a]C[5,6a]C[6a])(B[5]C[6a]C[5]Cl)(CH3)2	C(N[5]C[5,6a]B[5]C)(H)3	B[5](C[5]C[5,6a]HH)(N[5]C[5,6a]CC)(C[6a]C[6a]2)(Cl)	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>}	C(N[5]C[5,6a]B[5]C)(H)3	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>}	113.0220	4.319	2	113.0220	18.654	2	113.0220	18.654	2	113.0220	18.654	2	112.2127	9.183	31	113.8481	7.626	122
999	490	786	0:SP3_SP3_SP3	N[5]	C	B[5]	3:4:4:4:	4:1:1:1:	4:4:3:4:	C[5,6a]-3:B[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-4:C[6a]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(B[5]C[6a]C[5]C)(CH3)2	C(N[5]C[5,6a]B[5]C)(H)3	B[5](C[5]C[5,6a]HH)(N[5]C[5,6a]CC)(C[6a]C[6a]2)(CC[6a]HH)	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>}	C(N[5]C[5,6a]B[5]C)(H)3	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>}	112.9465	2.583	2	112.9465	6.672	2	112.9465	6.672	2	112.9465	6.672	2	112.2127	9.183	31	113.8481	7.626	122
999	490	786	0:SP3_SP3_SP3	N[5]	C	B[5]	4:3:4:4:	4:4:1:1:	4:3:3:4:	B[5]-4:C[6a]-3:C[5]-4:C-4:	N[5]-4:C-4:H-1:H-1:	N[5]-4:C[6a]-3:C[6a]-3:C[5]-4:	N[5](B[5]C[6a]2C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(CCHH)	C(N[5]C[6a]B[5]C[5])(CCHH)(H)2	B[5](N[5]C[6a]C[5]C)(C[6a]C[6a]2)2(C[5]C[5]HH)	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>}	C(N[5]C[6a]B[5]C[5])(CCHH)(H)2	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>}	108.3900	0.000	1	108.3900	0.000	1	108.3900	0.000	1	108.3900	0.000	1	112.2127	9.183	31	113.8481	7.626	122
999	490	786	0:SP3_SP3_SP3	N[5]	C	B[5]	4:4:4:4:	4:1:1:1:	3:3:3:4:	B[5]-4:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[6a]-3:N[5]-4:	N[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]CH)(CH3)2	C(N[5]B[5]C[5]C)(H)3	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(N[5]C[5]CC)	N[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]CH)(CH3)2{6|C<3>}	C(N[5]B[5]C[5]C)(H)3	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>}	112.1525	2.700	4	112.1525	7.288	4	112.1525	7.288	4	112.1525	7.288	4	112.2127	9.183	31	113.8481	7.626	122
999	490	786	0:SP3_SP3_SP3	N[5]	C	B[5]	4:4:4:4:	4:1:1:1:	3:3:4:1:	B[5]-4:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-4:H-1:	N[5](B[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(CH3)2	C(N[5]B[5]C[5]C)(H)3	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]CC)(H)	N[5](B[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(CH3)2{4|C<3>}	C(N[5]B[5]C[5]C)(H)3	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>}	112.6515	0.882	2	112.6515	0.778	2	112.6515	0.778	2	112.6515	0.778	2	112.2127	9.183	31	113.8481	7.626	122
999	490	786	0:SP3_SP3_SP3	N[5]	C	B[5]	4:4:4:4:	4:1:1:1:	3:4:1:1:	B[5]-4:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	C[5,6a]-3:N[5]-4:Cl-1:Cl-1:	N[5](B[5]C[5,6a]Cl2)(C[5]C[5,6a]CH)(CH3)2	C(N[5]B[5]C[5]C)(H)3	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(Cl)2	N[5](B[5]C[5,6a]Cl2)(C[5]C[5,6a]CH)(CH3)2{2|C<3>}	C(N[5]B[5]C[5]C)(H)3	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>}	112.5992	3.030	6	112.5992	9.181	6	112.8081	8.036	8	112.8081	8.036	8	112.2127	9.183	31	113.8481	7.626	122
999	490	786	0:SP3_SP3_SP3	N[5]	C	B[5]	4:4:4:4:	4:1:1:1:	3:4:1:1:	B[5]-4:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	C[5,6a]-3:N[5]-4:Cl-1:Cl-1:	N[5](B[5]C[5,6a]Cl2)(C[5]C[5,6a]HH)(CH3)2	C(N[5]B[5]C[5]C)(H)3	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(Cl)2	N[5](B[5]C[5,6a]Cl2)(C[5]C[5,6a]HH)(CH3)2{2|C<3>}	C(N[5]B[5]C[5]C)(H)3	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(Cl)2{2|C<3>,3|H<1>}	113.4350	3.049	2	113.4350	9.297	2	112.8081	8.036	8	112.8081	8.036	8	112.2127	9.183	31	113.8481	7.626	122
999	490	786	0:SP3_SP3_SP3	N[5]	C	B[5]	4:4:4:4:	4:1:1:1:	3:4:4:4:	B[5]-4:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6]-4:C[6]-4:N[5]-4:	N[5](B[5]C[5,6a]C[6]2)(C[5]C[5,6a]CH)(CH3)2	C(N[5]B[5]C[5]C)(H)3	B[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)2(N[5]C[5]CC)	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>}	C(N[5]B[5]C[5]C)(H)3	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>}	112.8035	2.838	2	112.8035	8.052	2	112.8035	8.052	2	112.8035	8.052	2	112.2127	9.183	31	113.8481	7.626	122
999	490	786	0:SP3_SP3_SP3	N[5]	C	B[5]	4:4:4:4:	4:1:1:1:	4:3:1:1:	B[5]-4:C[5]-4:C-4:C-4:	N[5]-4:H-1:H-1:H-1:	N[5]-4:C[5]-3:H-1:H-1:	N[5](B[5]C[5]HH)(C[5]C[5]HH)(CC[6a]HH)(CH3)	C(N[5]B[5]C[5]C)(H)3	B[5](N[5]C[5]CC)(C[5]C[5]H)(H)2	N[5](B[5]C[5]HH)(C[5]C[5]HH)(CC[6a]HH)(CH3){1|C<4>,1|H<1>}	C(N[5]B[5]C[5]C)(H)3	B[5](N[5]C[5]CC)(C[5]C[5]H)(H)2{1|C<4>,2|H<1>}	109.5420	0.000	1	109.5420	0.000	1	109.5420	0.000	1	109.5420	0.000	1	112.2127	9.183	31	113.8481	7.626	122
999	490	786	0:SP3_SP3_SP3	N[5]	C	B[5]	4:4:4:4:	4:3:1:1:	4:3:1:1:	B[5]-4:C[5]-4:C-4:C-4:	N[5]-4:C[6a]-3:H-1:H-1:	N[5]-4:C[5]-3:H-1:H-1:	N[5](B[5]C[5]HH)(C[5]C[5]HH)(CC[6a]HH)(CH3)	C(N[5]B[5]C[5]C)(C[6a]C[6a]2)(H)2	B[5](N[5]C[5]CC)(C[5]C[5]H)(H)2	N[5](B[5]C[5]HH)(C[5]C[5]HH)(CC[6a]HH)(CH3){1|C<4>,1|H<1>}	C(N[5]B[5]C[5]C)(C[6a]C[6a]2)(H)2	B[5](N[5]C[5]CC)(C[5]C[5]H)(H)2{1|C<4>,2|H<1>}	116.8630	0.000	1	116.8630	0.000	1	116.8630	0.000	1	116.8630	0.000	1	112.2127	9.183	31	113.8481	7.626	122
999	490	786	0:SP3_SP3_SP3	N[5]	C	B[5]	4:4:4:4:	4:4:1:1:	3:3:4:1:	B[5]-4:C[5]-4:C-4:C-4:	N[5]-4:C-4:H-1:H-1:	B[5]-3:C[6a]-3:N[5]-4:I-1:	N[5](B[5]C[6a]B[5]I)(C[5]C[5]HH)(CCHH)2	C(N[5]B[5]C[5]C)(CH3)(H)2	B[5](B[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]CC)(I)	N[5](B[5]C[6a]B[5]I)(C[5]C[5]HH)(CCHH)2{2|H<1>,3|C<3>}	C(N[5]B[5]C[5]C)(CH3)(H)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>}	112.3135	9.264	2	112.3135	85.818	2	112.3135	85.818	2	112.3135	85.818	2	112.2127	9.183	31	113.8481	7.626	122