869	643	872	0:SP2_SP2_SP3	Si[3]	C[6a]	Si[3]	4:4:3:	3:3:3:	4:3:3:3:	Si[3]-4:Si[3]-4:C[6a]-3:	C[6a]-3:C[6a]-3:Si[3]-3:	Si[3]-4:Si[3]-3:C[6a]-3:C[6a]-3:	Si[3](Si[3]C[6a]2Si[3])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(Si[3]Si[3]2)	Si[3](Si[3]C[6a]2Si[3])(Si[3]C[6a]Si[3])(C[6a]C[6a]2)2	Si[3](Si[3]C[6a]2Si[3])2(C[6a]C[6a]2){10|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(Si[3]Si[3]2){2|H<1>,5|C<3>}	Si[3](Si[3]C[6a]2Si[3])(Si[3]C[6a]Si[3])(C[6a]C[6a]2)2{10|C<3>,4|C<4>}	121.4710	0.000	1	121.6280	0.049	2	121.6280	0.049	2	121.6280	0.049	2	121.6280	0.049	2	121.6280	0.049	2
869	643	872	0:SP2_SP2_SP3	Si[3]	C[6a]	Si[3]	4:4:3:	3:3:3:	4:3:3:3:	Si[3]-4:Si[3]-4:C[6a]-3:	C[6a]-3:C[6a]-3:Si[3]-3:	Si[3]-4:Si[3]-3:C[6a]-3:C[6a]-3:	Si[3](Si[3]C[6a]2Si[3])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(Si[3]Si[3]2)	Si[3](Si[3]C[6a]2Si[3])(Si[3]C[6a]Si[3])(C[6a]C[6a]2)2	Si[3](Si[3]C[6a]2Si[3])2(C[6a]C[6a]2){10|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(Si[3]Si[3]2){2|H<1>,5|C<3>}	Si[3](Si[3]C[6a]2Si[3])(Si[3]C[6a]Si[3])(C[6a]C[6a]2)2{10|C<3>,4|H<1>}	121.7850	0.000	1	121.6280	0.049	2	121.6280	0.049	2	121.6280	0.049	2	121.6280	0.049	2	121.6280	0.049	2
869	658	869	6:SP2_SP2_SP3	Si[3,6]	Si[6]	Si[3,6]	4:3:4:	3:4:4:4:	4:3:4:	Si[3,5]-4:Si[3,6]-3:Si[6]-4:	Si[3,6]-3:Si[6]-4:C-4:C-4:	Si[3,5]-4:Si[3,6]-3:Si[6]-4:	Si[3,6](Si[3,5]Si[3,6]Si[5]2)(Si[3,6]Si[3,5]Si[6])(Si[6]Si[6]CC)	Si[6](Si[3,6]Si[3,5]Si[3,6])(Si[6]Si[6]CC)(CC3)2	Si[3,6](Si[3,5]Si[3,6]Si[5]2)(Si[3,6]Si[3,5]Si[6])(Si[6]Si[6]CC)	Si[3,6](Si[3,5]Si[3,6]Si[5]2)(Si[3,6]Si[3,5]Si[6])(Si[6]Si[6]CC){3|Si<4>,8|C<4>}	Si[6](Si[3,6]Si[3,5]Si[3,6])(Si[6]Si[6]CC)(CC3)2{3|Si<4>,2|C<4>}	Si[3,6](Si[3,5]Si[3,6]Si[5]2)(Si[3,6]Si[3,5]Si[6])(Si[6]Si[6]CC){3|Si<4>,8|C<4>}	130.0380	2.393	2	130.0380	5.726	2	130.0380	5.726	2	130.0380	5.726	2	130.0380	5.726	2	130.0380	5.726	2
869	658	872	0:SP2_SP3_SP3	Si[3,6]	Si[6]	Si[3,5]	4:3:4:	3:4:4:4:	3:3:4:4:	Si[3,5]-4:Si[3,6]-3:Si[6]-4:	Si[3,6]-3:Si[6]-4:C-4:C-4:	Si[3,6]-3:Si[3,6]-3:Si[5]-4:Si[5]-4:	Si[3,6](Si[3,5]Si[3,6]Si[5]2)(Si[3,6]Si[3,5]Si[6])(Si[6]Si[6]CC)	Si[6](Si[3,6]Si[3,5]Si[3,6])(Si[6]Si[6]CC)(CC3)2	Si[3,5](Si[3,6]Si[3,6]Si[6])2(Si[5]Si[5]CC)2	Si[3,6](Si[3,5]Si[3,6]Si[5]2)(Si[3,6]Si[3,5]Si[6])(Si[6]Si[6]CC){3|Si<4>,8|C<4>}	Si[6](Si[3,6]Si[3,5]Si[3,6])(Si[6]Si[6]CC)(CC3)2{3|Si<4>,2|C<4>}	Si[3,5](Si[3,6]Si[3,6]Si[6])2(Si[5]Si[5]CC)2{2|Si<4>,8|C<4>}	166.5670	1.130	2	166.5670	1.277	2	166.5670	1.277	2	166.5670	1.277	2	166.5670	1.277	2	166.5670	1.277	2
869	818	852	0:SP2_SP2_SP3	Si[3]	C[5]	P[3]	4:3:3:	3:3:3:	3:4:3:	C[3]-4:P[3]-3:C[5]-3:	Si[3]-3:N[5]-3:N[5]-3:	Si[3]-3:C[3]-4:Si-3:	Si[3](C[3]P[3]SiC)(P[3]C[3]Si)(C[5]N[5]2)	C[5](Si[3]C[3]P[3])(N[5]C[5]C)2	P[3](Si[3]C[3]C[5])(C[3]Si[3]SiC)(SiC[6a]2)	Si[3](C[3]P[3]SiC)(P[3]C[3]Si)(C[5]N[5]2){2|C<3>,2|C<4>}	C[5](Si[3]C[3]P[3])(N[5]C[5]C)2{2|Si<3>,3|C<4>}	P[3](Si[3]C[3]C[5])(C[3]Si[3]SiC)(SiC[6a]2){2|N<3>}	103.8450	0.000	1	103.8450	0.000	1	103.8450	0.000	1	103.8450	0.000	1	103.8450	0.000	1	103.8450	0.000	1
869	869	869	3:SP2_SP2_SP2	Si[3x3]	Si[3x3]	Si[3x3]	3:3:3:	3:3:3:	3:3:3:	Si[3x3]-3:Si[3x3]-3:Si[3x3]-3:	Si[3x3]-3:Si[3x3]-3:Si[3x3]-3:	Si[3x3]-3:Si[3x3]-3:Si[3x3]-3:	Si[3x3](Si[3x3]Si[3x3]2)3	Si[3x3](Si[3x3]Si[3x3]2)3	Si[3x3](Si[3x3]Si[3x3]2)3	Si[3x3](Si[3x3]Si[3x3]2)3	Si[3x3](Si[3x3]Si[3x3]2)3	Si[3x3](Si[3x3]Si[3x3]2)3	60.0804	0.353	7	60.0804	0.124	7	60.0804	0.124	7	60.0804	0.124	7	60.0804	0.124	7	60.0804	0.124	7
869	869	872	3:SP2_SP2_SP3	Si[3,6]	Si[3,6]	Si[3,5]	4:3:4:	4:3:4:	3:3:4:4:	Si[3,5]-4:Si[3,6]-3:Si[6]-4:	Si[3,5]-4:Si[3,6]-3:Si[6]-4:	Si[3,6]-3:Si[3,6]-3:Si[5]-4:Si[5]-4:	Si[3,6](Si[3,5]Si[3,6]Si[5]2)(Si[3,6]Si[3,5]Si[6])(Si[6]Si[6]CC)	Si[3,6](Si[3,5]Si[3,6]Si[5]2)(Si[3,6]Si[3,5]Si[6])(Si[6]Si[6]CC)	Si[3,5](Si[3,6]Si[3,6]Si[6])2(Si[5]Si[5]CC)2	Si[3,6](Si[3,5]Si[3,6]Si[5]2)(Si[3,6]Si[3,5]Si[6])(Si[6]Si[6]CC){3|Si<4>,8|C<4>}	Si[3,6](Si[3,5]Si[3,6]Si[5]2)(Si[3,6]Si[3,5]Si[6])(Si[6]Si[6]CC){3|Si<4>,8|C<4>}	Si[3,5](Si[3,6]Si[3,6]Si[6])2(Si[5]Si[5]CC)2{2|Si<4>,8|C<4>}	62.9827	0.734	2	62.9827	0.539	2	62.9827	0.539	2	62.9827	0.539	2	62.9827	0.539	2	62.6367	0.357	4
869	869	872	3:SP2_SP2_SP3	Si[3]	Si[3]	Si[3,5]	4:3:4:	4:3:4:	3:3:4:4:	Si[3,5]-4:Si[3]-3:Si-4:	Si[3,5]-4:Si[3]-3:Si-4:	Si[3]-3:Si[3]-3:C[5]-4:C[5]-4:	Si[3](Si[3,5]Si[3]C[5]2)(Si[3]Si[3,5]Si)(SiC3)	Si[3](Si[3,5]Si[3]C[5]2)(Si[3]Si[3,5]Si)(SiC3)	Si[3,5](Si[3]Si[3]Si)2(C[5]C[5]Si2)2	Si[3](Si[3,5]Si[3]C[5]2)(Si[3]Si[3,5]Si)(SiC3){4|Si<4>,2|C<4>}	Si[3](Si[3,5]Si[3]C[5]2)(Si[3]Si[3,5]Si)(SiC3){4|Si<4>,2|C<4>}	Si[3,5](Si[3]Si[3]Si)2(C[5]C[5]Si2)2{4|H<1>}	62.2906	0.230	2	62.2906	0.053	2	62.2906	0.053	2	62.2906	0.053	2	62.2906	0.053	2	62.6367	0.357	4
869	869	880	0:SP2_SP2_SP3	Si[3]	Si[3]	Si	4:3:4:	4:3:4:	3:4:4:4:	Si[3,5]-4:Si[3]-3:Si-4:	Si[3,5]-4:Si[3]-3:Si-4:	Si[3]-3:C-4:C-4:C-4:	Si[3](Si[3,5]Si[3]C[5]2)(Si[3]Si[3,5]Si)(SiC3)	Si[3](Si[3,5]Si[3]C[5]2)(Si[3]Si[3,5]Si)(SiC3)	Si(Si[3]Si[3,5]Si[3])(CH3)3	Si[3](Si[3,5]Si[3]C[5]2)(Si[3]Si[3,5]Si)(SiC3){4|Si<4>,2|C<4>}	Si[3](Si[3,5]Si[3]C[5]2)(Si[3]Si[3,5]Si)(SiC3){4|Si<4>,2|C<4>}	Si(Si[3]Si[3,5]Si[3])(CH3)3	139.6400	1.622	2	139.6400	2.631	2	139.6400	2.631	2	139.6400	2.631	2	139.6400	2.631	2	139.6400	2.631	2
869	872	872	3:SP2_SP3_SP3	Si[3]	Si[3,3]	Si[3,3]	4:4:4:	4:3:2:4:	4:3:2:4:	Si[3,3]-4:Si[3,3]-4:Si-4:	Si[3,3]-4:Si[3]-3:Si[3]-2:Si-4:	Si[3,3]-4:Si[3]-3:Si[3]-2:Si-4:	Si[3](Si[3,3]Si[3,3]Si[3]Si)2(SiC3)	Si[3,3](Si[3,3]Si[3]2Si)(Si[3]Si[3,3]Si)(Si[3]Si[3,3])(SiC3)	Si[3,3](Si[3,3]Si[3]2Si)(Si[3]Si[3,3]Si)(Si[3]Si[3,3])(SiC3)	Si[3](Si[3,3]Si[3,3]Si[3]Si)2(SiC3)	Si[3,3](Si[3,3]Si[3]2Si)(Si[3]Si[3,3]Si)(Si[3]Si[3,3])(SiC3)	Si[3,3](Si[3,3]Si[3]2Si)(Si[3]Si[3,3]Si)(Si[3]Si[3,3])(SiC3)	59.8395	0.000	1	59.8395	0.000	1	59.8395	0.000	1	59.8395	0.000	1	59.8395	0.000	1	59.7588	0.020	3
869	872	872	3:SP2_SP3_SP3	Si[3]	Si[3]	Si[3]	4:4:3:	4:3:3:3:	4:3:3:3:	Si[3]-4:Si[3]-4:C[6a]-3:	Si[3]-4:Si[3]-3:C[6a]-3:C[6a]-3:	Si[3]-4:Si[3]-3:C[6a]-3:C[6a]-3:	Si[3](Si[3]C[6a]2Si[3])2(C[6a]C[6a]2)	Si[3](Si[3]C[6a]2Si[3])(Si[3]C[6a]Si[3])(C[6a]C[6a]2)2	Si[3](Si[3]C[6a]2Si[3])(Si[3]C[6a]Si[3])(C[6a]C[6a]2)2	Si[3](Si[3]C[6a]2Si[3])2(C[6a]C[6a]2){10|C<3>,2|C<4>}	Si[3](Si[3]C[6a]2Si[3])(Si[3]C[6a]Si[3])(C[6a]C[6a]2)2{10|C<3>,4|C<4>}	Si[3](Si[3]C[6a]2Si[3])(Si[3]C[6a]Si[3])(C[6a]C[6a]2)2{10|C<3>,4|H<1>}	59.5951	0.000	1	59.5951	0.000	1	59.5951	0.000	1	59.5951	0.000	1	59.7185	0.030	2	59.7588	0.020	3
869	872	872	3:SP2_SP3_SP3	Si[3]	Si[3]	Si[3]	4:4:4:	4:3:4:4:	4:3:4:4:	Si[3]-4:Si[3]-4:Si-4:	Si[3]-4:Si[3]-3:Si-4:Si-4:	Si[3]-4:Si[3]-3:Si-4:Si-4:	Si[3](Si[3]Si[3]Si2)2(SiC3)	Si[3](Si[3]Si[3]Si2)(Si[3]Si[3]Si)(SiC3)2	Si[3](Si[3]Si[3]Si2)(Si[3]Si[3]Si)(SiC3)2	Si[3](Si[3]Si[3]Si2)2(SiC3)	Si[3](Si[3]Si[3]Si2)(Si[3]Si[3]Si)(SiC3)2	Si[3](Si[3]Si[3]Si2)(Si[3]Si[3]Si)(SiC3)2	59.8419	0.000	1	59.8419	0.000	1	59.8419	0.000	1	59.8419	0.000	1	59.7185	0.030	2	59.7588	0.020	3
869	872	880	0:SP2_SP3_SP3	Si[3]	Si[3,3]	Si	4:4:4:	4:3:2:4:	3:4:4:4:	Si[3,3]-4:Si[3,3]-4:Si-4:	Si[3,3]-4:Si[3]-3:Si[3]-2:Si-4:	Si[3]-3:C-4:C-4:C-4:	Si[3](Si[3,3]Si[3,3]Si[3]Si)2(SiC3)	Si[3,3](Si[3,3]Si[3]2Si)(Si[3]Si[3,3]Si)(Si[3]Si[3,3])(SiC3)	Si(Si[3]Si[3,3]2)(CSi2H)2(CH3)	Si[3](Si[3,3]Si[3,3]Si[3]Si)2(SiC3)	Si[3,3](Si[3,3]Si[3]2Si)(Si[3]Si[3,3]Si)(Si[3]Si[3,3])(SiC3)	Si(Si[3]Si[3,3]2)(CSi2H)2(CH3)	123.1745	5.110	2	123.1745	26.115	2	123.1745	26.115	2	123.1745	26.115	2	123.1745	26.115	2	134.5885	325.073	6
869	872	880	0:SP2_SP3_SP3	Si[3]	Si[3,5]	Si	4:3:4:	3:3:4:4:	3:4:4:4:	Si[3,5]-4:Si[3]-3:Si-4:	Si[3]-3:Si[3]-3:C[5]-4:C[5]-4:	Si[3]-3:C-4:C-4:C-4:	Si[3](Si[3,5]Si[3]C[5]2)(Si[3]Si[3,5]Si)(SiC3)	Si[3,5](Si[3]Si[3]Si)2(C[5]C[5]Si2)2	Si(Si[3]Si[3,5]Si[3])(CH3)3	Si[3](Si[3,5]Si[3]C[5]2)(Si[3]Si[3,5]Si)(SiC3){4|Si<4>,2|C<4>}	Si[3,5](Si[3]Si[3]Si)2(C[5]C[5]Si2)2{4|H<1>}	Si(Si[3]Si[3,5]Si[3])(CH3)3	157.6260	2.479	2	157.6260	6.146	2	157.6260	6.146	2	157.6260	6.146	2	157.6260	6.146	2	134.5885	325.073	6
869	872	880	0:SP2_SP3_SP3	Si[3]	Si[3]	Si	4:4:4:	4:3:4:4:	3:4:4:4:	Si[3]-4:Si[3]-4:Si-4:	Si[3]-4:Si[3]-3:Si-4:Si-4:	Si[3]-3:C-4:C-4:C-4:	Si[3](Si[3]Si[3]Si2)2(SiC3)	Si[3](Si[3]Si[3]Si2)(Si[3]Si[3]Si)(SiC3)2	Si(Si[3]Si[3]2)(CC3)3	Si[3](Si[3]Si[3]Si2)2(SiC3)	Si[3](Si[3]Si[3]Si2)(Si[3]Si[3]Si)(SiC3)2	Si(Si[3]Si[3]2)(CC3)3	122.9650	0.938	2	122.9650	0.879	2	122.9650	0.879	2	122.9650	0.879	2	122.9650	0.879	2	134.5885	325.073	6
869	880	902	0:SP2_SP2_SP3	Si[3]	Si	C[3]	3:2:4:	3:4:4:4:	4:3:2:	C[3]-3:Si[3]-2:Si-4:	Si[3]-3:C-4:C-4:C-4:	C[3x6]-4:Si[3]-3:Si[3]-2:	Si[3](C[3]C[3x6]Si[3])(Si[3]C[3])(SiC3)	Si(Si[3]Si[3]C[3])(CC3)3	C[3](C[3x6]C[6,6]3)(Si[3]Si[3]Si)(Si[3]Si[3])	Si[3](C[3]C[3x6]Si[3])(Si[3]C[3])(SiC3){3|C<4>}	Si(Si[3]Si[3]C[3])(CC3)3	C[3](C[3x6]C[6,6]3)(Si[3]Si[3]Si)(Si[3]Si[3]){3|C<4>,6|H<1>}	139.5420	0.000	1	139.5420	0.000	1	139.5420	0.000	1	139.5420	0.000	1	139.5420	0.000	1	139.5420	0.000	1
869	880	995	0:SP2_SP1_SP3	Si[3]	Si	Si[3]	3:2:4:	3:4:4:4:	3:3:	C[3]-3:Si[3]-2:Si-4:	Si[3]-3:C-4:C-4:C-4:	C[3]-3:Si[3]-3:	Si[3](C[3]C[3x6]Si[3])(Si[3]C[3])(SiC3)	Si(Si[3]Si[3]C[3])(CC3)3	Si[3](C[3]C[3x6]Si[3])(Si[3]C[3]Si)	Si[3](C[3]C[3x6]Si[3])(Si[3]C[3])(SiC3){3|C<4>}	Si(Si[3]Si[3]C[3])(CC3)3	Si[3](C[3]C[3x6]Si[3])(Si[3]C[3]Si){3|C<4>}	165.4410	0.000	1	165.4410	0.000	1	165.4410	0.000	1	165.4410	0.000	1	165.4410	0.000	1	165.4410	0.000	1
869	902	995	3:SP2_SP1_SP2	Si[3]	C[3]	Si[3]	3:2:4:	4:3:2:	3:3:	C[3]-3:Si[3]-2:Si-4:	C[3x6]-4:Si[3]-3:Si[3]-2:	C[3]-3:Si[3]-3:	Si[3](C[3]C[3x6]Si[3])(Si[3]C[3])(SiC3)	C[3](C[3x6]C[6,6]3)(Si[3]Si[3]Si)(Si[3]Si[3])	Si[3](C[3]C[3x6]Si[3])(Si[3]C[3]Si)	Si[3](C[3]C[3x6]Si[3])(Si[3]C[3])(SiC3){3|C<4>}	C[3](C[3x6]C[6,6]3)(Si[3]Si[3]Si)(Si[3]Si[3]){3|C<4>,6|H<1>}	Si[3](C[3]C[3x6]Si[3])(Si[3]C[3]Si){3|C<4>}	54.9897	0.000	1	54.9897	0.000	1	54.9897	0.000	1	54.9897	0.000	1	54.9897	0.000	1	54.9897	0.000	1
870	863	863	0:SP-NON_SP2_SP2	Cl	O	O	1:1:1:	3:	3:	O-1:O-1:O-1:	Cl-3:	Cl-3:	Cl(O)3	O(ClOO)	O(ClOO)	Cl(O)3	O(ClOO)	O(ClOO)	107.4747	0.767	3	107.4747	0.589	3	107.4747	0.589	3	107.4747	0.589	3	107.4747	0.589	3	107.4747	0.589	3
871	82	951	0:SP3_SP-NON_SPD5	O	Ga[5,3x6]	H	5:1:1:	3:3:3:3:3:	3:	Ga[5,3x6]-5:H-1:H-1:	N[5,5a,6]-3:N[5,5a,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-3:	O-3:	O(Ga[5,3x6]N[5,5a,6]2N[5a,6,6]2)(H)2	Ga[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(OHH)	H(OGa[5,3x6]H)	O(Ga[5,3x6]N[5,5a,6]2N[5a,6,6]2)(H)2	Ga[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(OHH){11|C<3>}	H(OGa[5,3x6]H)	111.8405	0.776	2	111.8405	0.602	2	111.8405	0.602	2	111.8405	0.602	2	111.8405	0.602	2	114.8667	30.701	7
871	82	951	0:SP3_SP-NON_SPD5	O	Ga[5,5]	H	5:1:1:	3:3:3:3:3:	3:	Ga[5,5]-5:H-1:H-1:	N[5,6]-3:N[5,6]-3:N[5]-3:N[5]-3:O-3:	O-3:	O(Ga[5,5]N[5,6]2N[5]2)(H)2	Ga[5,5](N[5,6]C[5,6]C[6])2(N[5]C[6a]C[5])2(OHH)	H(OGa[5,5]H)	O(Ga[5,5]N[5,6]2N[5]2)(H)2	Ga[5,5](N[5,6]C[5,6]C[6])2(N[5]C[6a]C[5])2(OHH){4|H<1>,8|C<3>}	H(OGa[5,5]H)	111.4910	0.000	1	111.4910	0.000	1	111.4910	0.000	1	111.4910	0.000	1	118.5287	50.766	3	114.8667	30.701	7
871	82	951	0:SP3_SP-NON_SPD5	O	Ga[5,5]	H	5:1:1:	4:2:2:3:2:	3:	Ga[5,5]-5:H-1:H-1:	N[5,5]-4:O[5]-2:O[5]-2:O-3:O-2:	O-3:	O(Ga[5,5]N[5,5]O[5]2O)(H)2	Ga[5,5](N[5,5]C[5]2C)(O[5]C[5])2(OHH)(OC)	H(OGa[5,5]H)	O(Ga[5,5]N[5,5]O[5]2O)(H)2	Ga[5,5](N[5,5]C[5]2C)(O[5]C[5])2(OHH)(OC){2|O<1>,4|H<1>}	H(OGa[5,5]H)	122.0475	5.219	2	122.0475	27.240	2	122.0475	27.240	2	122.0475	27.240	2	118.5287	50.766	3	114.8667	30.701	7
871	82	951	0:SP3_SP-NON_SPD5	O	Ga[5,6]	H	5:1:1:	4:2:2:3:2:	3:	Ga[5,6]-5:H-1:H-1:	N[5,6]-4:O[6]-2:O[5]-2:O-3:O-2:	O-3:	O(Ga[5,6]N[5,6]O[5]O[6]O)(H)2	Ga[5,6](N[5,6]C[5]C[6]C)(O[6]C[6,6a])(O[5]C[5])(OHH)(OC)	H(OGa[5,6]H)	O(Ga[5,6]N[5,6]O[5]O[6]O)(H)2	Ga[5,6](N[5,6]C[5]C[6]C)(O[6]C[6,6a])(O[5]C[5])(OHH)(OC){1|O<1>,2|C<3>,4|H<1>}	H(OGa[5,6]H)	112.4000	3.370	2	112.4000	11.357	2	112.4000	11.357	2	112.4000	11.357	2	112.4000	11.357	2	114.8667	30.701	7
871	310	951	0:SP3_SP-NON_SP3	O	Ge	H	4:1:1:	4:4:4:3:	3:	Ge-4:H-1:H-1:	C-4:C-4:C-4:O-3:	O-3:	O(GeC3)(H)2	Ge(CCHH)3(OHH)	H(OGeH)	O(GeC3)(H)2	Ge(CCHH)3(OHH)	H(OGeH)	117.8515	11.873	2	117.8515	140.969	2	117.8515	140.969	2	117.8515	140.969	2	117.8515	140.969	2	117.8515	140.969	2
871	474	876	0:SP3_SP-NON_SP3	O	C[5]	H	4:2:1:	4:4:4:3:	3:2:	C[5]-4:H-2:H-1:	C[5,5]-4:C[5]-4:C-4:O-3:	O-3:H-2:	O(C[5]C[5,5]C[5]C)(HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(CH3)(OHH)	H(OC[5]H)(HO)	O(C[5]C[5,5]C[5]C)(HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(CH3)(OHH){2|C<4>,5|H<1>}	H(OC[5]H)(HO)	102.6535	2.740	2	102.6535	7.508	2	102.6535	7.508	2	102.6535	7.508	2	102.6535	7.508	2	102.6535	7.508	2
871	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:2:1:	4:4:4:3:	3:	C[5]-4:H-2:H-1:	C[5,5]-4:C[5]-4:C-4:O-3:	O-3:	O(C[5]C[5,5]C[5]C)(HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(CH3)(OHH)	H(OC[5]H)	O(C[5]C[5,5]C[5]C)(HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(CH3)(OHH){2|C<4>,5|H<1>}	H(OC[5]H)	109.1000	0.921	2	109.1000	0.848	2	109.1000	0.848	2	109.1000	0.848	2	109.1000	0.848	2	109.1000	0.848	2
871	490	490	0:SP3_SP3_SP3	O	C	C	3:4:4:	3:1:1:1:	3:1:1:1:	C[6a]-3:C-4:C-4:	O-3:H-1:H-1:H-1:	O-3:H-1:H-1:H-1:	O(C[6a]C[6a]2)(CH3)2	C(OC[6a]C)(H)3	C(OC[6a]C)(H)3	O(C[6a]C[6a]2)(CH3)2	C(OC[6a]C)(H)3	C(OC[6a]C)(H)3	107.7440	0.000	1	107.7440	0.000	1	107.7440	0.000	1	107.7440	0.000	1	114.1664	9.181	10	114.1664	9.181	10
871	490	490	0:SP3_SP3_SP3	O	C	C	4:4:3:	3:1:1:1:	3:1:1:1:	C-4:C-4:C-3:	O-3:H-1:H-1:H-1:	O-3:H-1:H-1:H-1:	O(CH3)2(CHN)	C(OCC)(H)3	C(OCC)(H)3	O(CH3)2(CHN)	C(OCC)(H)3	C(OCC)(H)3	119.8370	0.000	1	119.8370	0.000	1	119.8370	0.000	1	119.8370	0.000	1	114.1664	9.181	10	114.1664	9.181	10
871	490	490	0:SP3_SP3_SP3	O	C	C	4:4:4:	3:4:1:1:	3:4:1:1:	Ga-4:C-4:C-4:	O-3:C-4:H-1:H-1:	O-3:C-4:H-1:H-1:	O(GaCl2C)(CCHH)2	C(OGaC)(CH3)(H)2	C(OGaC)(CH3)(H)2	O(GaCl2C)(CCHH)2	C(OGaC)(CH3)(H)2	C(OGaC)(CH3)(H)2	114.6347	0.306	3	114.6347	0.093	3	114.6347	0.093	3	114.6347	0.093	3	114.1664	9.181	10	114.1664	9.181	10
871	490	490	0:SP3_SP3_SP3	O	C	C	4:4:4:	4:3:1:1:	4:3:1:1:	B-4:C-4:C-4:	C-4:O-3:H-1:H-1:	C-4:O-3:H-1:H-1:	O(BC[6a]3)(CCHH)2	C(CH3)(OBC)(H)2	C(CH3)(OBC)(H)2	O(BC[6a]3)(CCHH)2	C(CH3)(OBC)(H)2	C(CH3)(OBC)(H)2	114.3155	0.373	2	114.3155	0.139	2	113.6853	1.261	3	113.6853	1.261	3	114.1664	9.181	10	114.1664	9.181	10
871	490	490	0:SP3_SP3_SP3	O	C	C	4:4:4:	4:3:1:1:	4:3:1:1:	B-4:C-4:C-4:	C-4:O-3:H-1:H-1:	C-4:O-3:H-1:H-1:	O(BCl3)(CCHH)2	C(CH3)(OBC)(H)2	C(CH3)(OBC)(H)2	O(BCl3)(CCHH)2	C(CH3)(OBC)(H)2	C(CH3)(OBC)(H)2	112.4250	0.000	1	112.4250	0.000	1	113.6853	1.261	3	113.6853	1.261	3	114.1664	9.181	10	114.1664	9.181	10
871	490	490	0:SP3_SP3_SP3	O	C	C	6:4:4:	3:4:1:1:	3:4:1:1:	Ge-6:C-4:C-4:	O-3:C-4:H-1:H-1:	O-3:C-4:H-1:H-1:	O(GeF4O)(CCHH)2	C(OGeC)(CH3)(H)2	C(OGeC)(CH3)(H)2	O(GeF4O)(CCHH)2	C(OGeC)(CH3)(H)2	C(OGeC)(CH3)(H)2	116.1200	0.000	1	116.1200	0.000	1	116.1200	0.000	1	114.5615	4.858	2	114.1664	9.181	10	114.1664	9.181	10
871	490	490	0:SP3_SP3_SP3	O	C	C	6:4:4:	3:4:1:1:	3:4:1:1:	Nb[5,5]-6:C-4:C-4:	O-3:C-4:H-1:H-1:	O-3:C-4:H-1:H-1:	O(Nb[5,5]N[5,5]O[5]2Cl2)(CCHH)2	C(ONb[5,5]C)(CH3)(H)2	C(ONb[5,5]C)(CH3)(H)2	O(Nb[5,5]N[5,5]O[5]2Cl2)(CCHH)2	C(ONb[5,5]C)(CH3)(H)2	C(ONb[5,5]C)(CH3)(H)2	113.0030	0.000	1	113.0030	0.000	1	113.0030	0.000	1	114.5615	4.858	2	114.1664	9.181	10	114.1664	9.181	10
871	490	578	0:SP3_SP3_SPD6	O	C	Ga[5,6]	6:4:1:	3:1:1:1:	3:3:2:2:3:2:	Ga[5,6]-6:C-4:H-1:	O-3:H-1:H-1:H-1:	N[5,6]-3:N[5,6]-3:O[6]-2:O[6]-2:O-3:O-2:	O(Ga[5,6]N[5,6]2O[6]2O)(CH3)(H)	C(OGa[5,6]H)(H)3	Ga[5,6](N[5,6]C[5,6,6a]C[6])2(O[6]C[6,6a])(O[6]C[6,6])(OCH)(ON)	O(Ga[5,6]N[5,6]2O[6]2O)(CH3)(H)	C(OGa[5,6]H)(H)3	Ga[5,6](N[5,6]C[5,6,6a]C[6])2(O[6]C[6,6a])(O[6]C[6,6])(OCH)(ON){2|H<1>,7|C<3>}	127.9760	1.732	2	127.9760	3.001	2	127.9760	3.001	2	127.9760	3.001	2	127.9760	3.001	2	127.9760	3.001	2
871	490	602	0:SP3_SP3_SPD6	O	C	Ga[4x6]	6:4:1:	3:1:1:1:	3:3:3:3:3:2:	Ga[4x6]-6:C-4:H-1:	O-3:H-1:H-1:H-1:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-3:O-2:	O(Ga[4x6]N[5a,6,6]4O)(CH3)(H)	C(OGa[4x6]H)(H)3	Ga[4x6](N[5a,6,6]C[5a,6]2)4(OCH)(OC)	O(Ga[4x6]N[5a,6,6]4O)(CH3)(H)	C(OGa[4x6]H)(H)3	Ga[4x6](N[5a,6,6]C[5a,6]2)4(OCH)(OC){12|C<3>}	131.2810	0.000	1	131.2810	0.000	1	131.2810	0.000	1	131.2810	0.000	1	131.2810	0.000	1	131.2810	0.000	1
871	490	610	0:SP3_SP3_SP3	O	C	B	4:4:1:	3:1:1:1:	3:3:3:3:	B-4:C-4:H-1:	O-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:O-3:	O(BC[6a]3)(CH3)(H)	C(OBH)(H)3	B(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(OCH)	O(BC[6a]3)(CH3)(H)	C(OBH)(H)3	B(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(OCH)	121.3270	0.000	1	121.3270	0.000	1	121.3270	0.000	1	121.3270	0.000	1	119.9977	13.456	7	119.9977	13.456	7
871	490	610	0:SP3_SP3_SP3	O	C	B	4:4:4:	4:3:1:1:	3:1:1:1:	B-4:C-4:C-4:	C-4:O-3:H-1:H-1:	O-3:Cl-1:Cl-1:Cl-1:	O(BCl3)(CCHH)2	C(CH3)(OBC)(H)2	B(OCC)(Cl)3	O(BCl3)(CCHH)2	C(CH3)(OBC)(H)2	B(OCC)(Cl)3	117.1215	0.436	2	117.1215	0.190	2	117.1215	0.190	2	117.1215	0.190	2	119.9977	13.456	7	119.9977	13.456	7
871	490	610	0:SP3_SP3_SP3	O	C	B	4:4:4:	4:3:1:1:	3:3:3:3:	B-4:C-4:C-4:	C-4:O-3:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:O-3:	O(BC[6a]3)(CCHH)2	C(CH3)(OBC)(H)2	B(C[6a]C[6a]2)3(OCC)	O(BC[6a]3)(CCHH)2	C(CH3)(OBC)(H)2	B(C[6a]C[6a]2)3(OCC)	121.1035	4.372	4	121.1035	19.114	4	121.1035	19.114	4	121.1035	19.114	4	119.9977	13.456	7	119.9977	13.456	7
871	490	643	0:SP3_SP2_SP3	O	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	O-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-3:	O(C[6a]C[6a]2)(CH3)2	C(OC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(OCC)	O(C[6a]C[6a]2)(CH3)2	C(OC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(OCC){1|Sn<4>,1|C<3>,1|H<1>}	126.1200	9.709	2	126.1200	94.256	2	126.1200	94.256	2	126.1200	94.256	2	126.1200	94.256	2	126.1200	94.256	2
871	490	876	0:SP3_SP-NON_SP3	O	C	H	4:3:2:	4:3:1:1:	3:2:	C-4:C-3:H-2:	C-4:O-3:H-1:H-1:	O-3:O-2:	O(CCHH)(CCO)(HO)	C(CH3)(OCH)(H)2	H(OCC)(OH)	O(CCHH)(CCO)(HO)	C(CH3)(OCH)(H)2	H(OCC)(OH)	117.7650	0.000	1	117.7650	0.000	1	117.7650	0.000	1	117.7650	0.000	1	117.7650	0.000	1	117.7650	0.000	1
871	490	925	0:SP3_SP3_SPD6	O	C	Ge	6:4:4:	3:4:1:1:	3:3:1:1:1:1:	Ge-6:C-4:C-4:	O-3:C-4:H-1:H-1:	O-3:O-3:F-1:F-1:F-1:F-1:	O(GeF4O)(CCHH)2	C(OGeC)(CH3)(H)2	Ge(OCC)2(F)4	O(GeF4O)(CCHH)2	C(OGeC)(CH3)(H)2	Ge(OCC)2(F)4	121.9400	0.228	2	121.9400	0.052	2	121.9400	0.052	2	121.9400	0.052	2	121.9400	0.052	2	121.9400	0.052	2
871	490	930	0:SP3_SP2_SP3	O	C	C	4:3:2:	4:3:1:1:	4:3:1:	C-4:C-3:H-2:	C-4:O-3:H-1:H-1:	C-4:O-3:O-1:	O(CCHH)(CCO)(HO)	C(CH3)(OCH)(H)2	C(CH3)(OCH)(O)	O(CCHH)(CCO)(HO)	C(CH3)(OCH)(H)2	C(CH3)(OCH)(O)	137.1150	0.000	1	137.1150	0.000	1	137.1150	0.000	1	137.1150	0.000	1	125.7590	98.035	3	125.7590	98.035	3
871	490	930	0:SP3_SP2_SP3	O	C	C	4:4:3:	3:1:1:1:	3:1:1:	C-4:C-4:C-3:	O-3:H-1:H-1:H-1:	O-3:H-1:N-1:	O(CH3)2(CHN)	C(OCC)(H)3	C(OCC)(H)(N)	O(CH3)2(CHN)	C(OCC)(H)3	C(OCC)(H)(N)	120.0810	1.622	2	120.0810	2.631	2	120.0810	2.631	2	120.0810	2.631	2	125.7590	98.035	3	125.7590	98.035	3
871	490	951	0:SP3_SP-NON_SP3	O	C	H	4:1:1:	4:3:1:1:	3:	C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	O-3:	O(CCHH)(H)2	C(CH3)(OHH)(H)2	H(OCH)	O(CCHH)(H)2	C(CH3)(OHH)(H)2	H(OCH)	109.7435	0.407	2	109.7435	0.165	2	109.7435	0.165	2	109.7435	0.165	2	108.9016	18.689	11	108.9016	18.689	11
871	490	951	0:SP3_SP-NON_SP3	O	C	H	4:4:1:	3:1:1:1:	3:	B-4:C-4:H-1:	O-3:H-1:H-1:H-1:	O-3:	O(BC[6a]3)(CH3)(H)	C(OBH)(H)3	H(OBC)	O(BC[6a]3)(CH3)(H)	C(OBH)(H)3	H(OBC)	106.3340	0.000	1	106.3340	0.000	1	106.3340	0.000	1	106.3340	0.000	1	108.9016	18.689	11	108.9016	18.689	11
871	490	951	0:SP3_SP-NON_SP3	O	C	H	6:4:1:	3:1:1:1:	3:	Ga[4x6]-6:C-4:H-1:	O-3:H-1:H-1:H-1:	O-3:	O(Ga[4x6]N[5a,6,6]4O)(CH3)(H)	C(OGa[4x6]H)(H)3	H(OGa[4x6]C)	O(Ga[4x6]N[5a,6,6]4O)(CH3)(H)	C(OGa[4x6]H)(H)3	H(OGa[4x6]C)	104.3770	0.000	1	104.3770	0.000	1	104.3770	0.000	1	109.1483	29.597	7	108.9016	18.689	11	108.9016	18.689	11
871	490	951	0:SP3_SP-NON_SP3	O	C	H	6:4:1:	3:1:1:1:	3:	Ga[5,6]-6:C-4:H-1:	O-3:H-1:H-1:H-1:	O-3:	O(Ga[5,6]N[5,6]2O[6]2O)(CH3)(H)	C(OGa[5,6]H)(H)3	H(OGa[5,6]C)	O(Ga[5,6]N[5,6]2O[6]2O)(CH3)(H)	C(OGa[5,6]H)(H)3	H(OGa[5,6]C)	111.4865	8.738	2	111.4865	76.348	2	111.4865	76.348	2	109.1483	29.597	7	108.9016	18.689	11	108.9016	18.689	11
871	490	951	0:SP3_SP-NON_SP3	O	C	H	6:4:1:	3:1:1:1:	3:	In[5,5]-6:C-4:H-1:	O-3:H-1:H-1:H-1:	O-3:	O(In[5,5]N[5,5]N[5,6]S[5]Br2)(CH3)(H)	C(OIn[5,5]H)(H)3	H(OIn[5,5]C)	O(In[5,5]N[5,5]N[5,6]S[5]Br2)(CH3)(H)	C(OIn[5,5]H)(H)3	H(OIn[5,5]C)	111.4730	0.000	1	111.4730	0.000	1	111.4730	0.000	1	109.1483	29.597	7	108.9016	18.689	11	108.9016	18.689	11
871	490	951	0:SP3_SP-NON_SP3	O	C	H	6:4:1:	3:1:1:1:	3:	In[5]-6:C-4:H-1:	O-3:H-1:H-1:H-1:	O-3:	O(In[5]N[5,6]2Cl3)(CH3)(H)	C(OIn[5]H)(H)3	H(OIn[5]C)	O(In[5]N[5,6]2Cl3)(CH3)(H)	C(OIn[5]H)(H)3	H(OIn[5]C)	108.4050	5.499	3	108.4050	30.236	3	108.4050	30.236	3	109.1483	29.597	7	108.9016	18.689	11	108.9016	18.689	11
871	490	951	0:SP3_SP-NON_SP3	O	C	H	6:4:1:	3:4:1:1:	3:	In[5,5]-6:C-4:H-1:	O-3:C-4:H-1:H-1:	O-3:	O(In[5,5]N[5,5]N[5,6]S[5]Cl2)(CCHH)(H)	C(OIn[5,5]H)(CH3)(H)2	H(OIn[5,5]C)	O(In[5,5]N[5,5]N[5,6]S[5]Cl2)(CCHH)(H)	C(OIn[5,5]H)(CH3)(H)2	H(OIn[5,5]C)	108.0590	0.000	1	108.0590	0.000	1	108.0590	0.000	1	108.0590	0.000	1	108.9016	18.689	11	108.9016	18.689	11
871	490	984	0:SP3_SP-NON_SP3	O	C	Ga	4:4:4:	3:4:1:1:	3:3:1:1:	Ga-4:C-4:C-4:	O-3:C-4:H-1:H-1:	C-3:O-3:Cl-1:Cl-1:	O(GaCl2C)(CCHH)2	C(OGaC)(CH3)(H)2	Ga(CSiC)(OCC)(Cl)2	O(GaCl2C)(CCHH)2	C(OGaC)(CH3)(H)2	Ga(CSiC)(OCC)(Cl)2	121.0878	0.868	6	121.0878	0.753	6	121.0878	0.753	6	121.0878	0.753	6	120.3598	2.637	8	120.3598	2.637	8
871	490	984	0:SP3_SP-NON_SP3	O	C	Ga	4:4:4:	4:3:1:1:	3:3:4:4:	Ga-4:C-4:Ga-4:	C-4:O-3:H-1:H-1:	C[5]-3:O-3:C-4:C-4:	O(GaC[5]CC)(CCHH)(GaC3)	C(CCHH)(OGa2)(H)2	Ga(C[5]N[5]2)(OGaC)(CH3)2	O(GaC[5]CC)(CCHH)(GaC3)	C(CCHH)(OGa2)(H)2	Ga(C[5]N[5]2)(OGaC)(CH3)2	117.1830	0.000	1	117.1830	0.000	1	117.1830	0.000	1	117.1830	0.000	1	120.3598	2.637	8	120.3598	2.637	8
871	490	984	0:SP3_SP-NON_SP3	O	C	Ga	4:4:4:	4:3:1:1:	3:4:4:4:	Ga-4:C-4:Ga-4:	C-4:O-3:H-1:H-1:	O-3:C-4:C-4:C-4:	O(GaC[5]CC)(CCHH)(GaC3)	C(CCHH)(OGa2)(H)2	Ga(OGaC)(CH3)3	O(GaC[5]CC)(CCHH)(GaC3)	C(CCHH)(OGa2)(H)2	Ga(OGaC)(CH3)3	119.1680	0.000	1	119.1680	0.000	1	119.1680	0.000	1	119.1680	0.000	1	120.3598	2.637	8	120.3598	2.637	8
871	578	951	0:SP3_SP-NON_SPD6	O	Ga[5,6]	H	6:4:1:	3:3:2:2:3:2:	3:	Ga[5,6]-6:C-4:H-1:	N[5,6]-3:N[5,6]-3:O[6]-2:O[6]-2:O-3:O-2:	O-3:	O(Ga[5,6]N[5,6]2O[6]2O)(CH3)(H)	Ga[5,6](N[5,6]C[5,6,6a]C[6])2(O[6]C[6,6a])(O[6]C[6,6])(OCH)(ON)	H(OGa[5,6]C)	O(Ga[5,6]N[5,6]2O[6]2O)(CH3)(H)	Ga[5,6](N[5,6]C[5,6,6a]C[6])2(O[6]C[6,6a])(O[6]C[6,6])(OCH)(ON){2|H<1>,7|C<3>}	H(OGa[5,6]C)	117.8480	10.508	2	117.8480	110.410	2	117.8480	110.410	2	117.8480	110.410	2	117.8480	110.410	2	118.6433	43.567	6
871	578	951	0:SP3_SP-NON_SPD6	O	Ga[5]	H	6:1:1:	3:3:3:1:1:1:	3:	Ga[5]-6:H-1:H-1:	N[5,6]-3:N[5,6]-3:O-3:F-1:F-1:F-1:	O-3:	O(Ga[5]N[5,6]2F3)(H)2	Ga[5](N[5,6]C[5,6]C[6])2(OHH)(F)3	H(OGa[5]H)	O(Ga[5]N[5,6]2F3)(H)2	Ga[5](N[5,6]C[5,6]C[6])2(OHH)(F)3{2|H<1>,4|C<3>}	H(OGa[5]H)	114.7675	5.697	2	114.7675	32.458	2	114.7675	32.458	2	119.0410	35.176	4	119.0410	35.176	4	118.6433	43.567	6
871	578	951	0:SP3_SP-NON_SPD6	O	Ga[5]	H	6:1:1:	3:3:3:1:1:1:	3:	Ga[5]-6:H-1:H-1:	N[5,6a]-3:N[5,6]-3:O-3:F-1:F-1:F-1:	O-3:	O(Ga[5]N[5,6a]N[5,6]F3)(H)2	Ga[5](N[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6,6a]C[6])(OHH)(F)3	H(OGa[5]H)	O(Ga[5]N[5,6a]N[5,6]F3)(H)2	Ga[5](N[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6,6a]C[6])(OHH)(F)3{2|H<1>,4|C<3>}	H(OGa[5]H)	123.3145	0.138	2	123.3145	0.019	2	123.3145	0.019	2	119.0410	35.176	4	119.0410	35.176	4	118.6433	43.567	6
871	602	951	0:SP3_SP-NON_SPD6	O	Ga[4x6]	H	6:4:1:	3:3:3:3:3:2:	3:	Ga[4x6]-6:C-4:H-1:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-3:O-2:	O-3:	O(Ga[4x6]N[5a,6,6]4O)(CH3)(H)	Ga[4x6](N[5a,6,6]C[5a,6]2)4(OCH)(OC)	H(OGa[4x6]C)	O(Ga[4x6]N[5a,6,6]4O)(CH3)(H)	Ga[4x6](N[5a,6,6]C[5a,6]2)4(OCH)(OC){12|C<3>}	H(OGa[4x6]C)	104.1310	0.000	1	104.1310	0.000	1	104.1310	0.000	1	104.1310	0.000	1	104.1310	0.000	1	104.1310	0.000	1
871	610	610	0:SP3_SP3_SP3	O	B	B	4:4:1:	3:3:3:3:	3:3:3:3:	B-4:B-4:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:O-3:	C[6a]-3:C[6a]-3:C[6a]-3:O-3:	O(BC[6a]3)2(H)	B(C[6a]C[6a]2)3(OBH)	B(C[6a]C[6a]2)3(OBH)	O(BC[6a]3)2(H)	B(C[6a]C[6a]2)3(OBH)	B(C[6a]C[6a]2)3(OBH)	141.1615	0.549	2	141.1615	0.302	2	141.1615	0.302	2	141.1615	0.302	2	140.7507	0.657	3	140.7507	0.657	3
871	610	610	0:SP3_SP3_SP3	O	B	B	4:4:1:	4:3:3:3:	4:3:3:3:	B-4:B-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:O-3:	C[5]-4:C[6a]-3:C[6a]-3:O-3:	O(BC[6a]2C[5])2(H)	B(C[5]C[5]2Fe)(C[6a]C[6a]2)2(OBH)	B(C[5]C[5]2Fe)(C[6a]C[6a]2)2(OBH)	O(BC[6a]2C[5])2(H)	B(C[5]C[5]2Fe)(C[6a]C[6a]2)2(OBH)	B(C[5]C[5]2Fe)(C[6a]C[6a]2)2(OBH)	139.9290	0.000	1	139.9290	0.000	1	139.9290	0.000	1	139.9290	0.000	1	140.7507	0.657	3	140.7507	0.657	3
871	610	951	0:SP3_SP-NON_SP3	O	B	H	4:1:1:	3:1:1:1:	3:	B-4:H-1:H-1:	O-3:F-1:F-1:F-1:	O-3:	O(BF3)(H)2	B(OHH)(F)3	H(OBH)	O(BF3)(H)2	B(OHH)(F)3	H(OBH)	116.3960	0.610	2	116.3960	0.372	2	116.3960	0.372	2	116.3960	0.372	2	115.7838	39.819	27	115.7838	39.819	27
871	610	951	0:SP3_SP-NON_SP3	O	B	H	4:1:1:	3:3:3:3:	3:	B-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:O-3:	O-3:	O(BC[6a]3)(H)2	B(C[6a]C[6a]2)3(OHH)	H(OBH)	O(BC[6a]3)(H)2	B(C[6a]C[6a]2)3(OHH)	H(OBH)	117.9508	6.133	18	117.9508	37.611	18	117.9508	37.611	18	117.9508	37.611	18	115.7838	39.819	27	115.7838	39.819	27
871	610	951	0:SP3_SP-NON_SP3	O	B	H	4:4:1:	3:3:3:3:	3:	B-4:B-4:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:O-3:	O-3:	O(BC[6a]3)2(H)	B(C[6a]C[6a]2)3(OBH)	H(OBB)	O(BC[6a]3)2(H)	B(C[6a]C[6a]2)3(OBH)	H(OBB)	109.4095	4.459	4	109.4095	19.885	4	109.4095	19.885	4	110.0732	17.116	5	115.7838	39.819	27	115.7838	39.819	27
871	610	951	0:SP3_SP-NON_SP3	O	B	H	4:4:1:	3:3:3:3:	3:	B-4:C-4:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:O-3:	O-3:	O(BC[6a]3)(CH3)(H)	B(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(OCH)	H(OBC)	O(BC[6a]3)(CH3)(H)	B(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(OCH)	H(OBC)	112.7280	0.000	1	112.7280	0.000	1	112.7280	0.000	1	110.0732	17.116	5	115.7838	39.819	27	115.7838	39.819	27
871	610	951	0:SP3_SP-NON_SP3	O	B	H	4:4:1:	4:3:3:3:	3:	B-4:B-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:O-3:	O-3:	O(BC[6a]2C[5])2(H)	B(C[5]C[5]2Fe)(C[6a]C[6a]2)2(OBH)	H(OBB)	O(BC[6a]2C[5])2(H)	B(C[5]C[5]2Fe)(C[6a]C[6a]2)2(OBH)	H(OBB)	109.9445	3.246	2	109.9445	10.539	2	109.9445	10.539	2	109.9445	10.539	2	115.7838	39.819	27	115.7838	39.819	27
871	786	951	0:SP3_SP-NON_SP3	O	B[5]	H	4:1:1:	3:2:3:2:	3:	B[5]-4:H-1:H-1:	C[5,6a]-3:O[5]-2:O-3:O-2:	O-3:	O(B[5]C[5,6a]O[5]O)(H)2	B[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(OHH)(OH)	H(OB[5]H)	O(B[5]C[5,6a]O[5]O)(H)2	B[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(OHH)(OH){1|F<1>,1|O<2>,2|C<3>}	H(OB[5]H)	119.0310	2.044	2	119.0310	4.176	2	119.0310	4.176	2	119.0310	4.176	2	119.0310	4.176	2	119.0310	4.176	2
871	818	951	0:SP3_SP-NON_SP2	O	C[5]	H	3:1:1:	3:3:3:	3:	C[5]-3:H-1:H-1:	C[5,6]-3:N[5]-3:O-3:	O-3:	O(C[5]C[5,6]N[5])(H)2	C[5](C[5,6]C[5,6]C[6])(N[5]Se[5,5]C[6a])(OHH)	H(OC[5]H)	O(C[5]C[5,6]N[5])(H)2	C[5](C[5,6]C[5,6]C[6])(N[5]Se[5,5]C[6a])(OHH){1|C<2>,1|H<1>,1|N<4>,4|C<3>}	H(OC[5]H)	120.0050	0.042	2	120.0050	0.002	2	120.0050	0.002	2	120.0050	0.002	2	120.0050	0.002	2	120.0050	0.002	2
871	863	863	0:SP3_SP2_SP2	O	O	O	4:1:1:	3:	3:	O-4:O-1:O-1:	O-3:	O-3:	O(OH3)(O)2	O(OOO)	O(OOO)	O(OH3)(O)2	O(OOO)	O(OOO)	124.9675	0.452	2	124.9675	0.204	2	124.9675	0.204	2	124.9675	0.204	2	124.9675	0.204	2	124.9675	0.204	2
871	863	967	0:SP3_SP2_SP3	O	O	O	4:1:1:	3:	3:1:1:1:	O-4:O-1:O-1:	O-3:	O-3:H-1:H-1:H-1:	O(OH3)(O)2	O(OOO)	O(OOO)(H)3	O(OH3)(O)2	O(OOO)	O(OOO)(H)3	117.5138	1.605	4	117.5138	2.576	4	117.5138	2.576	4	117.5138	2.576	4	117.5138	2.576	4	117.5138	2.576	4
871	871	930	0:SP3_SP2_SP3	O	O	C	3:3:1:	3:3:1:	4:3:1:	C-3:O-3:H-1:	C-3:O-3:H-1:	C-4:O-3:O-1:	O(CCO)(OCH)(H)	O(CCO)(OCH)(H)	C(CH3)(OHO)(O)	O(CCO)(OCH)(H)	O(CCO)(OCH)(H)	C(CH3)(OHO)(O)	114.2010	0.000	1	114.2010	0.000	1	114.2010	0.000	1	114.2010	0.000	1	114.2010	0.000	1	114.2010	0.000	1
871	871	951	0:SP3_SP-NON_SP3	O	O	H	3:1:1:	3:1:1:	3:	O-3:H-1:H-1:	O-3:H-1:H-1:	O-3:	O(OHH)(H)2	O(OHH)(H)2	H(OHO)	O(OHH)(H)2	O(OHH)(H)2	H(OHO)	113.7832	33.302	4	113.7832	1108.996	4	113.7832	1108.996	4	113.7832	1108.996	4	111.8325	850.772	5	111.8325	850.772	5
871	871	951	0:SP3_SP-NON_SP3	O	O	H	3:3:1:	3:3:1:	3:	C-3:O-3:H-1:	C-3:O-3:H-1:	O-3:	O(CCO)(OCH)(H)	O(CCO)(OCH)(H)	H(OCO)	O(CCO)(OCH)(H)	O(CCO)(OCH)(H)	H(OCO)	104.0300	0.000	1	104.0300	0.000	1	104.0300	0.000	1	104.0300	0.000	1	111.8325	850.772	5	111.8325	850.772	5
871	876	930	0:SP3_SP-NON_SP2	O	H	C	4:3:2:	3:2:	4:3:1:	C-4:C-3:H-2:	O-3:O-2:	C-4:O-3:O-1:	O(CCHH)(CCO)(HO)	H(OCC)(OH)	C(CH3)(OCH)(O)	O(CCHH)(CCO)(HO)	H(OCC)(OH)	C(CH3)(OCH)(O)	87.5400	0.000	1	87.5400	0.000	1	87.5400	0.000	1	87.5400	0.000	1	87.5400	0.000	1	87.5400	0.000	1
871	876	951	0:SP3_SP-NON_SP-NON	O	H	H	2:1:1:	3:1:	3:	H-2:H-1:H-1:	O-3:O-1:	O-3:	O(HO)(H)2	H(OHH)(O)	H(OHH)	O(HO)(H)2	H(OHH)(O)	H(OHH)	124.7210	6.768	2	124.7210	45.812	2	124.7210	45.812	2	124.7210	45.812	2	123.8082	139.286	6	123.8082	139.286	6
871	876	951	0:SP3_SP-NON_SP-NON	O	H	H	2:1:1:	3:2:	3:	H-2:H-1:H-1:	O-3:O-2:	O-3:	O(HO)(H)2	H(OHH)(OH)	H(OHH)	O(HO)(H)2	H(OHH)(OH)	H(OHH)	124.7700	25.273	2	124.7700	638.745	2	124.7700	638.745	2	124.7700	638.745	2	123.8082	139.286	6	123.8082	139.286	6
871	876	951	0:SP3_SP-NON_SP-NON	O	H	H	4:2:1:	3:2:	3:	C[5]-4:H-2:H-1:	O-3:H-2:	O-3:	O(C[5]C[5,5]C[5]C)(HH)(H)	H(OC[5]H)(HO)	H(OC[5]H)	O(C[5]C[5,5]C[5]C)(HH)(H)	H(OC[5]H)(HO)	H(OC[5]H)	121.9335	1.152	2	121.9335	1.327	2	121.9335	1.327	2	121.9335	1.327	2	123.8082	139.286	6	123.8082	139.286	6
871	885	885	0:SP3_SP-NON_SP-NON	O	Ga[5]	Ga[5]	4:4:1:	3:3:3:4:	3:3:3:4:	Ga[5]-4:Ga[5]-4:H-1:	N[5]-3:N[5]-3:O-3:C-4:	N[5]-3:N[5]-3:O-3:C-4:	O(Ga[5]N[5]2C)2(H)	Ga[5](N[5]C[5]C)2(OGa[5]H)(CH3)	Ga[5](N[5]C[5]C)2(OGa[5]H)(CH3)	O(Ga[5]N[5]2C)2(H)	Ga[5](N[5]C[5]C)2(OGa[5]H)(CH3){2|C<3>}	Ga[5](N[5]C[5]C)2(OGa[5]H)(CH3){2|C<3>}	140.8670	0.000	1	140.8670	0.000	1	140.8670	0.000	1	140.8670	0.000	1	140.8670	0.000	1	140.8670	0.000	1
871	885	951	0:SP3_SP-NON_SP-NON	O	Ga[5]	H	4:4:1:	3:3:3:4:	3:	Ga[5]-4:Ga[5]-4:H-1:	N[5]-3:N[5]-3:O-3:C-4:	O-3:	O(Ga[5]N[5]2C)2(H)	Ga[5](N[5]C[5]C)2(OGa[5]H)(CH3)	H(OGa[5]2)	O(Ga[5]N[5]2C)2(H)	Ga[5](N[5]C[5]C)2(OGa[5]H)(CH3){2|C<3>}	H(OGa[5]2)	109.5665	0.052	2	109.5665	0.003	2	109.5665	0.003	2	109.5665	0.003	2	109.5665	0.003	2	109.5665	0.003	2
871	930	951	0:SP3_SP-NON_SP2	O	C	H	3:3:1:	4:3:1:	3:	C-3:O-3:H-1:	C-4:O-3:O-1:	O-3:	O(CCO)(OCH)(H)	C(CH3)(OHO)(O)	H(OCO)	O(CCO)(OCH)(H)	C(CH3)(OHO)(O)	H(OCO)	135.9540	0.000	1	135.9540	0.000	1	135.9540	0.000	1	135.9540	0.000	1	116.9860	719.570	2	116.9860	719.570	2
871	930	951	0:SP3_SP-NON_SP2	O	C	H	3:4:1:	3:3:1:	3:	C-3:Ga-4:H-1:	C[6a]-3:O-3:H-1:	O-3:	O(CC[6a]H)(GaClNO)(H)	C(C[6a]C[6a]2)(OGaH)(H)	H(OGaC)	O(CC[6a]H)(GaClNO)(H)	C(C[6a]C[6a]2)(OGaH)(H)	H(OGaC)	98.0180	0.000	1	98.0180	0.000	1	98.0180	0.000	1	98.0180	0.000	1	116.9860	719.570	2	116.9860	719.570	2
871	930	984	0:SP3_SP-NON_SP2	O	C	Ga	3:4:1:	3:3:1:	2:4:3:1:	C-3:Ga-4:H-1:	C[6a]-3:O-3:H-1:	O-2:N-4:O-3:Cl-1:	O(CC[6a]H)(GaClNO)(H)	C(C[6a]C[6a]2)(OGaH)(H)	Ga(OC[6a])(NC3)(OCH)(Cl)	O(CC[6a]H)(GaClNO)(H)	C(C[6a]C[6a]2)(OGaH)(H)	Ga(OC[6a])(NC3)(OCH)(Cl)	125.0650	0.000	1	125.0650	0.000	1	125.0650	0.000	1	125.0650	0.000	1	125.0650	0.000	1	125.0650	0.000	1
871	931	951	0:SP3_SP-NON_SPD5	O	Si[3x5]	H	5:1:1:	4:2:2:2:3:	3:	Si[3x5]-5:H-1:H-1:	C[3x5]-4:O[5]-2:O[5]-2:O[5]-2:O-3:	O-3:	O(Si[3x5]C[3x5]O[5]3)(H)2	Si[3x5](C[3x5]C[5,6a]3)(O[5]C[5,6a])3(OHH)	H(OSi[3x5]H)	O(Si[3x5]C[3x5]O[5]3)(H)2	Si[3x5](C[3x5]C[5,6a]3)(O[5]C[5,6a])3(OHH){6|C<3>}	H(OSi[3x5]H)	117.0940	5.804	2	117.0940	33.686	2	117.0940	33.686	2	117.0940	33.686	2	117.0940	33.686	2	120.8685	27.697	8
871	931	951	0:SP3_SP-NON_SPD5	O	Si[5]	H	5:1:1:	4:2:4:4:3:	3:	Si[5]-5:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:O-3:	O-3:	O(Si[5]C[5]O[5]CC)(H)2	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CClHH)(CH3)(OHH)	H(OSi[5]H)	O(Si[5]C[5]O[5]CC)(H)2	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CClHH)(CH3)(OHH){2|C<3>}	H(OSi[5]H)	122.3920	6.045	4	122.3920	36.539	4	122.1267	24.441	6	122.1267	24.441	6	122.1267	24.441	6	120.8685	27.697	8
871	931	951	0:SP3_SP-NON_SPD5	O	Si[5]	H	5:1:1:	4:2:4:4:3:	3:	Si[5]-5:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:O-3:	O-3:	O(Si[5]C[5]O[5]CC)(H)2	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CH3)2(OHH)	H(OSi[5]H)	O(Si[5]C[5]O[5]CC)(H)2	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CH3)2(OHH){2|C<3>}	H(OSi[5]H)	121.5960	3.427	2	121.5960	11.742	2	122.1267	24.441	6	122.1267	24.441	6	122.1267	24.441	6	120.8685	27.697	8
871	951	951	0:SP3_SP-NON_SP-NON	O	H	H	1:1:1:	3:	3:	H-1:H-1:H-1:	O-3:	O-3:	O(H)3	H(OHH)	H(OHH)	O(H)3	H(OHH)	H(OHH)	112.9050	10.914	110	112.9050	119.122	110	112.9050	119.122	110	112.9050	119.122	110	111.8830	99.043	159	111.8830	99.043	159
871	951	951	0:SP3_SP-NON_SP-NON	O	H	H	2:1:1:	3:	3:	H-2:H-1:H-1:	O-3:	O-3:	O(HO)(H)2	H(OHH)	H(OHH)	O(HO)(H)2	H(OHH)	H(OHH)	101.7681	8.481	2	101.7681	71.926	2	101.7681	71.926	2	101.7681	71.926	2	111.8830	99.043	159	111.8830	99.043	159
871	951	951	0:SP3_SP-NON_SP-NON	O	H	H	3:1:1:	3:	3:	C[5]-3:H-1:H-1:	O-3:	O-3:	O(C[5]C[5,6]N[5])(H)2	H(OC[5]H)	H(OC[5]H)	O(C[5]C[5,6]N[5])(H)2	H(OC[5]H)	H(OC[5]H)	119.9900	0.000	1	119.9900	0.000	1	119.9900	0.000	1	113.7463	36.236	3	111.8830	99.043	159	111.8830	99.043	159
871	951	951	0:SP3_SP-NON_SP-NON	O	H	H	3:1:1:	3:	3:	O-3:H-1:H-1:	O-3:	O-3:	O(OHH)(H)2	H(OHO)	H(OHO)	O(OHH)(H)2	H(OHO)	H(OHO)	110.6245	3.741	2	110.6245	13.997	2	110.6245	13.997	2	113.7463	36.236	3	111.8830	99.043	159	111.8830	99.043	159
871	951	951	0:SP3_SP-NON_SP-NON	O	H	H	4:1:1:	3:	3:	B-4:H-1:H-1:	O-3:	O-3:	O(BC[6a]3)(H)2	H(OBH)	H(OBH)	O(BC[6a]3)(H)2	H(OBH)	H(OBH)	107.0837	7.050	9	107.0837	49.699	9	107.3918	45.126	10	108.6737	49.151	17	111.8830	99.043	159	111.8830	99.043	159
871	951	951	0:SP3_SP-NON_SP-NON	O	H	H	4:1:1:	3:	3:	B-4:H-1:H-1:	O-3:	O-3:	O(BF3)(H)2	H(OBH)	H(OBH)	O(BF3)(H)2	H(OBH)	H(OBH)	110.1650	0.000	1	110.1650	0.000	1	107.3918	45.126	10	108.6737	49.151	17	111.8830	99.043	159	111.8830	99.043	159
871	951	951	0:SP3_SP-NON_SP-NON	O	H	H	4:1:1:	3:	3:	B[5]-4:H-1:H-1:	O-3:	O-3:	O(B[5]C[5,6a]O[5]O)(H)2	H(OB[5]H)	H(OB[5]H)	O(B[5]C[5,6a]O[5]O)(H)2	H(OB[5]H)	H(OB[5]H)	116.6080	0.000	1	116.6080	0.000	1	116.6080	0.000	1	108.6737	49.151	17	111.8830	99.043	159	111.8830	99.043	159
871	951	951	0:SP3_SP-NON_SP-NON	O	H	H	4:1:1:	3:	3:	C-4:H-1:H-1:	O-3:	O-3:	O(CCHH)(H)2	H(OCH)	H(OCH)	O(CCHH)(H)2	H(OCH)	H(OCH)	105.5810	0.000	1	105.5810	0.000	1	105.5810	0.000	1	108.6737	49.151	17	111.8830	99.043	159	111.8830	99.043	159
871	951	951	0:SP3_SP-NON_SP-NON	O	H	H	4:1:1:	3:	3:	Ga-4:H-1:H-1:	O-3:	O-3:	O(GaO3)(H)2	H(OGaH)	H(OGaH)	O(GaO3)(H)2	H(OGaH)	H(OGaH)	108.5703	4.174	3	108.5703	17.419	3	108.5703	17.419	3	108.6737	49.151	17	111.8830	99.043	159	111.8830	99.043	159
871	951	951	0:SP3_SP-NON_SP-NON	O	H	H	4:1:1:	3:	3:	Ge-4:H-1:H-1:	O-3:	O-3:	O(GeC3)(H)2	H(OGeH)	H(OGeH)	O(GeC3)(H)2	H(OGeH)	H(OGeH)	123.3560	0.000	1	123.3560	0.000	1	123.3560	0.000	1	108.6737	49.151	17	111.8830	99.043	159	111.8830	99.043	159
871	951	951	0:SP3_SP-NON_SP-NON	O	H	H	4:1:1:	3:	3:	O-4:H-1:H-1:	O-3:	O-3:	O(OHHO)(H)2	H(OHO)	H(OHO)	O(OHHO)(H)2	H(OHO)	H(OHO)	102.2790	0.000	1	102.2790	0.000	1	102.2790	0.000	1	108.6737	49.151	17	111.8830	99.043	159	111.8830	99.043	159
871	951	951	0:SP3_SP-NON_SP-NON	O	H	H	5:1:1:	3:	3:	Ga[5,3x6]-5:H-1:H-1:	O-3:	O-3:	O(Ga[5,3x6]N[5,5a,6]2N[5a,6,6]2)(H)2	H(OGa[5,3x6]H)	H(OGa[5,3x6]H)	O(Ga[5,3x6]N[5,5a,6]2N[5a,6,6]2)(H)2	H(OGa[5,3x6]H)	H(OGa[5,3x6]H)	101.8790	0.000	1	101.8790	0.000	1	101.8790	0.000	1	112.3940	125.592	8	111.8830	99.043	159	111.8830	99.043	159
871	951	951	0:SP3_SP-NON_SP-NON	O	H	H	5:1:1:	3:	3:	Ga[5,5]-5:H-1:H-1:	O-3:	O-3:	O(Ga[5,5]N[5,5]O[5]2O)(H)2	H(OGa[5,5]H)	H(OGa[5,5]H)	O(Ga[5,5]N[5,5]O[5]2O)(H)2	H(OGa[5,5]H)	H(OGa[5,5]H)	111.0080	0.000	1	111.0080	0.000	1	124.0125	338.234	2	112.3940	125.592	8	111.8830	99.043	159	111.8830	99.043	159
871	951	951	0:SP3_SP-NON_SP-NON	O	H	H	5:1:1:	3:	3:	Ga[5,5]-5:H-1:H-1:	O-3:	O-3:	O(Ga[5,5]N[5,6]2N[5]2)(H)2	H(OGa[5,5]H)	H(OGa[5,5]H)	O(Ga[5,5]N[5,6]2N[5]2)(H)2	H(OGa[5,5]H)	H(OGa[5,5]H)	137.0170	0.000	1	137.0170	0.000	1	124.0125	338.234	2	112.3940	125.592	8	111.8830	99.043	159	111.8830	99.043	159
871	951	951	0:SP3_SP-NON_SP-NON	O	H	H	5:1:1:	3:	3:	Ga[5,6]-5:H-1:H-1:	O-3:	O-3:	O(Ga[5,6]N[5,6]O[5]O[6]O)(H)2	H(OGa[5,6]H)	H(OGa[5,6]H)	O(Ga[5,6]N[5,6]O[5]O[6]O)(H)2	H(OGa[5,6]H)	H(OGa[5,6]H)	112.1680	0.000	1	112.1680	0.000	1	112.1680	0.000	1	112.3940	125.592	8	111.8830	99.043	159	111.8830	99.043	159
871	951	951	0:SP3_SP-NON_SP-NON	O	H	H	5:1:1:	3:	3:	Si[3x5]-5:H-1:H-1:	O-3:	O-3:	O(Si[3x5]C[3x5]O[5]3)(H)2	H(OSi[3x5]H)	H(OSi[3x5]H)	O(Si[3x5]C[3x5]O[5]3)(H)2	H(OSi[3x5]H)	H(OSi[3x5]H)	109.7490	0.000	1	109.7490	0.000	1	109.7490	0.000	1	112.3940	125.592	8	111.8830	99.043	159	111.8830	99.043	159
871	951	951	0:SP3_SP-NON_SP-NON	O	H	H	5:1:1:	3:	3:	Si[5]-5:H-1:H-1:	O-3:	O-3:	O(Si[5]C[5]O[5]CC)(H)2	H(OSi[5]H)	H(OSi[5]H)	O(Si[5]C[5]O[5]CC)(H)2	H(OSi[5]H)	H(OSi[5]H)	109.1103	7.777	3	109.1103	60.485	3	109.1103	60.485	3	112.3940	125.592	8	111.8830	99.043	159	111.8830	99.043	159
871	951	951	0:SP3_SP-NON_SP-NON	O	H	H	6:1:1:	3:	3:	Ga[5]-6:H-1:H-1:	O-3:	O-3:	O(Ga[5]N[5,6]2F3)(H)2	H(OGa[5]H)	H(OGa[5]H)	O(Ga[5]N[5,6]2F3)(H)2	H(OGa[5]H)	H(OGa[5]H)	109.5110	0.000	1	109.5110	0.000	1	110.0230	0.524	2	110.6509	9.302	11	111.8830	99.043	159	111.8830	99.043	159
871	951	951	0:SP3_SP-NON_SP-NON	O	H	H	6:1:1:	3:	3:	Ga[5]-6:H-1:H-1:	O-3:	O-3:	O(Ga[5]N[5,6a]N[5,6]F3)(H)2	H(OGa[5]H)	H(OGa[5]H)	O(Ga[5]N[5,6a]N[5,6]F3)(H)2	H(OGa[5]H)	H(OGa[5]H)	110.5350	0.000	1	110.5350	0.000	1	110.0230	0.524	2	110.6509	9.302	11	111.8830	99.043	159	111.8830	99.043	159
871	951	951	0:SP3_SP-NON_SP-NON	O	H	H	6:1:1:	3:	3:	In-6:H-1:H-1:	O-3:	O-3:	O(InO5)(H)2	H(OInH)	H(OInH)	O(InO5)(H)2	H(OInH)	H(OInH)	108.4657	1.709	4	108.4657	2.919	4	108.4657	2.919	4	110.6509	9.302	11	111.8830	99.043	159	111.8830	99.043	159
871	951	951	0:SP3_SP-NON_SP-NON	O	H	H	6:1:1:	3:	3:	In[4]-6:H-1:H-1:	O-3:	O-3:	O(In[4]O[4]2Cl3)(H)2	H(OIn[4]H)	H(OIn[4]H)	O(In[4]O[4]2Cl3)(H)2	H(OIn[4]H)	H(OIn[4]H)	109.5430	0.000	1	109.5430	0.000	1	109.5430	0.000	1	110.6509	9.302	11	111.8830	99.043	159	111.8830	99.043	159
871	951	951	0:SP3_SP-NON_SP-NON	O	H	H	6:1:1:	3:	3:	In[5,5]-6:H-1:H-1:	O-3:	O-3:	O(In[5,5]N[5,6]2O[5]2O)(H)2	H(OIn[5,5]H)	H(OIn[5,5]H)	O(In[5,5]N[5,6]2O[5]2O)(H)2	H(OIn[5,5]H)	H(OIn[5,5]H)	117.5550	0.000	1	117.5550	0.000	1	117.5550	0.000	1	110.6509	9.302	11	111.8830	99.043	159	111.8830	99.043	159
871	951	951	0:SP3_SP-NON_SP-NON	O	H	H	6:1:1:	3:	3:	In[5]-6:H-1:H-1:	O-3:	O-3:	O(In[5]N[5,6]2O3)(H)2	H(OIn[5]H)	H(OIn[5]H)	O(In[5]N[5,6]2O3)(H)2	H(OIn[5]H)	H(OIn[5]H)	113.2420	0.750	2	113.2420	0.562	2	112.0510	4.536	3	110.6509	9.302	11	111.8830	99.043	159	111.8830	99.043	159
871	951	951	0:SP3_SP-NON_SP-NON	O	H	H	6:1:1:	3:	3:	In[5]-6:H-1:H-1:	O-3:	O-3:	O(In[5]N[5,6]O[5]Cl3)(H)2	H(OIn[5]H)	H(OIn[5]H)	O(In[5]N[5,6]O[5]Cl3)(H)2	H(OIn[5]H)	H(OIn[5]H)	109.6690	0.000	1	109.6690	0.000	1	112.0510	4.536	3	110.6509	9.302	11	111.8830	99.043	159	111.8830	99.043	159
871	951	951	0:SP3_SP-NON_SP-NON	O	H	H	7:1:1:	3:	3:	In[3x5]-7:H-1:H-1:	O-3:	O-3:	O(In[3x5]N[5,5,6]N[5,6]O[5]3O)(H)2	H(OIn[3x5]H)	H(OIn[3x5]H)	O(In[3x5]N[5,5,6]N[5,6]O[5]3O)(H)2	H(OIn[3x5]H)	H(OIn[3x5]H)	105.0489	7.145	2	105.0489	51.048	2	104.6579	25.983	3	107.6645	13.624	8	111.8830	99.043	159	111.8830	99.043	159
871	951	951	0:SP3_SP-NON_SP-NON	O	H	H	7:1:1:	3:	3:	In[3x5]-7:H-1:H-1:	O-3:	O-3:	O(In[3x5]O[5]6)(H)2	H(OIn[3x5]H)	H(OIn[3x5]H)	O(In[3x5]O[5]6)(H)2	H(OIn[3x5]H)	H(OIn[3x5]H)	103.8760	0.000	1	103.8760	0.000	1	104.6579	25.983	3	107.6645	13.624	8	111.8830	99.043	159	111.8830	99.043	159
871	951	951	0:SP3_SP-NON_SP-NON	O	H	H	7:1:1:	3:	3:	In[4,5,5]-7:H-1:H-1:	O-3:	O-3:	O(In[4,5,5]N[5,5,6]O[4]2O[5]2O)(H)2	H(OIn[4,5,5]H)	H(OIn[4,5,5]H)	O(In[4,5,5]N[5,5,6]O[4]2O[5]2O)(H)2	H(OIn[4,5,5]H)	H(OIn[4,5,5]H)	109.4684	0.051	5	109.4684	0.003	5	109.4684	0.003	5	107.6645	13.624	8	111.8830	99.043	159	111.8830	99.043	159
871	951	967	0:SP3_SP-NON_SP3	O	H	O	4:1:1:	3:	4:3:1:1:	O-4:H-1:H-1:	O-3:	O-4:O-3:H-1:H-1:	O(OHHO)(H)2	H(OHO)	O(OHHO)(OHH)(H)2	O(OHHO)(H)2	H(OHO)	O(OHHO)(OHH)(H)2	125.5530	11.152	2	125.5530	124.378	2	125.5530	124.378	2	125.5530	124.378	2	125.5530	124.378	2	125.5530	124.378	2
871	951	984	0:SP3_SP-NON_SP-NON	O	H	Ga	3:4:1:	3:	2:4:3:1:	C-3:Ga-4:H-1:	O-3:	O-2:N-4:O-3:Cl-1:	O(CC[6a]H)(GaClNO)(H)	H(OGaC)	Ga(OC[6a])(NC3)(OCH)(Cl)	O(CC[6a]H)(GaClNO)(H)	H(OGaC)	Ga(OC[6a])(NC3)(OCH)(Cl)	117.9410	0.000	1	117.9410	0.000	1	117.9410	0.000	1	117.9410	0.000	1	117.0503	27.539	6	117.0503	27.539	6
871	951	984	0:SP3_SP-NON_SP-NON	O	H	Ga	4:1:1:	3:	3:2:2:2:	Ga-4:H-1:H-1:	O-3:	O-3:O-2:O-2:O-2:	O(GaO3)(H)2	H(OGaH)	Ga(OHH)(OC)3	O(GaO3)(H)2	H(OGaH)	Ga(OHH)(OC)3	116.8722	5.847	5	116.8722	34.185	5	116.8722	34.185	5	116.8722	34.185	5	117.0503	27.539	6	117.0503	27.539	6
871	984	984	0:SP3_SP-NON_SP-NON	O	Ga	Ga	4:4:4:	3:3:4:4:	3:4:4:4:	Ga-4:C-4:Ga-4:	C[5]-3:O-3:C-4:C-4:	O-3:C-4:C-4:C-4:	O(GaC[5]CC)(CCHH)(GaC3)	Ga(C[5]N[5]2)(OGaC)(CH3)2	Ga(OGaC)(CH3)3	O(GaC[5]CC)(CCHH)(GaC3)	Ga(C[5]N[5]2)(OGaC)(CH3)2	Ga(OGaC)(CH3)3	123.6310	0.000	1	123.6310	0.000	1	123.6310	0.000	1	123.6310	0.000	1	123.6310	0.000	1	123.6310	0.000	1
872	78	872	0:SP3_SP3_SP3	Si[3,3]	Se[3]	Si[3]	4:4:2:4:	4:4:	4:4:4:4:	Si[3,3]-4:Si[3]-4:Se[3]-2:Si-4:	Si[3,3]-4:Si[3,3]-4:	Si[3,3]-4:Si[3,3]-4:Si-4:Si-4:	Si[3,3](Si[3,3]Se[3]Si[3]Si)(Si[3]Si[3,3]Si2)(Se[3]Si[3,3])(SiC3)	Se[3](Si[3,3]Si[3,3]Si[3]Si)2	Si[3](Si[3,3]Si[3,3]Se[3]Si)2(SiC3)2	Si[3,3](Si[3,3]Se[3]Si[3]Si)(Si[3]Si[3,3]Si2)(Se[3]Si[3,3])(SiC3)	Se[3](Si[3,3]Si[3,3]Si[3]Si)2{2|Si<4>}	Si[3](Si[3,3]Si[3,3]Se[3]Si)2(SiC3)2	92.2578	0.338	2	92.2578	0.114	2	92.2578	0.114	2	92.2578	0.114	2	92.2578	0.114	2	92.2578	0.114	2
872	78	872	3:SP3_SP3_SP3	Si[3,3]	Se[3]	Si[3,3]	4:4:2:4:	4:4:	4:4:2:4:	Si[3,3]-4:Si[3]-4:Se[3]-2:Si-4:	Si[3,3]-4:Si[3,3]-4:	Si[3,3]-4:Si[3]-4:Se[3]-2:Si-4:	Si[3,3](Si[3,3]Se[3]Si[3]Si)(Si[3]Si[3,3]Si2)(Se[3]Si[3,3])(SiC3)	Se[3](Si[3,3]Si[3,3]Si[3]Si)2	Si[3,3](Si[3,3]Se[3]Si[3]Si)(Si[3]Si[3,3]Si2)(Se[3]Si[3,3])(SiC3)	Si[3,3](Si[3,3]Se[3]Si[3]Si)(Si[3]Si[3,3]Si2)(Se[3]Si[3,3])(SiC3)	Se[3](Si[3,3]Si[3,3]Si[3]Si)2{2|Si<4>}	Si[3,3](Si[3,3]Se[3]Si[3]Si)(Si[3]Si[3,3]Si2)(Se[3]Si[3,3])(SiC3)	61.2291	0.472	2	61.2291	0.223	2	61.2291	0.223	2	61.2291	0.223	2	61.2291	0.223	2	61.2291	0.223	2
872	78	880	0:SP3_SP3_SP3	Si[3,3]	Se[3]	Si	4:4:2:4:	4:4:	4:4:4:4:	Si[3,3]-4:Si[3]-4:Se[3]-2:Si-4:	Si[3,3]-4:Si[3,3]-4:	Si[3,3]-4:C-4:C-4:C-4:	Si[3,3](Si[3,3]Se[3]Si[3]Si)(Si[3]Si[3,3]Si2)(Se[3]Si[3,3])(SiC3)	Se[3](Si[3,3]Si[3,3]Si[3]Si)2	Si(Si[3,3]Si[3,3]Se[3]Si[3])(CC3)2(CH3)	Si[3,3](Si[3,3]Se[3]Si[3]Si)(Si[3]Si[3,3]Si2)(Se[3]Si[3,3])(SiC3)	Se[3](Si[3,3]Si[3,3]Si[3]Si)2{2|Si<4>}	Si(Si[3,3]Si[3,3]Se[3]Si[3])(CC3)2(CH3)	113.8555	6.158	2	113.8555	37.923	2	113.8555	37.923	2	113.8555	37.923	2	113.8555	37.923	2	113.8555	37.923	2
872	138	474	0:SP3_SP2_SP3	Si[3,5]	N[3]	C[5]	4:3:4:4:	4:4:3:	4:4:4:4:	C[3]-4:N[3]-3:C[5]-4:C[5]-4:	C[3]-4:Si[3,5]-4:C[6a]-3:	Si[3,5]-4:C[5]-4:Si-4:Si-4:	Si[3,5](C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[5]C[5]Si2)2	N[3](C[3]Si[3,5]C[6a]H)(Si[3,5]C[3]C[5]2)(C[6a]C[6a]2)	C[5](Si[3,5]C[3]C[5]N[3])(C[5]C[5]HH)(SiC3)2	Si[3,5](C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[5]C[5]Si2)2{4|C<3>,4|H<1>}	N[3](C[3]Si[3,5]C[6a]H)(Si[3,5]C[3]C[5]2)(C[6a]C[6a]2){4|Si<4>,2|C<4>,2|H<1>,4|C<3>}	C[5](Si[3,5]C[3]C[5]N[3])(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|C<3>,3|H<1>}	123.9223	1.918	4	123.9223	3.677	4	123.9223	3.677	4	123.9223	3.677	4	123.9223	3.677	4	123.9223	3.677	4
872	138	474	0:SP3_SP3_SP3	Si[3,5]	N[3,5]	C[5]	3:4:4:4:	4:3:4:	4:4:4:4:	N[3,5]-3:C[3,5]-4:C[5]-4:C[5]-4:	C[3,5]-4:C[5,6a]-3:Si[3,5]-4:	Si[3,5]-4:C[5]-4:Si-4:Si-4:	Si[3,5](N[3,5]C[5,6a]C[3,5])(C[3,5]N[3,5]C[5]Si)(C[5]C[5]Si2)2	N[3,5](C[3,5]Si[3,5]C[5]Si)(C[5,6a]C[5,6a]C[6a])(Si[3,5]C[3,5]C[5]2)	C[5](Si[3,5]C[3,5]N[3,5]C[5])(C[5]C[5]HH)(SiC3)2	Si[3,5](N[3,5]C[5,6a]C[3,5])(C[3,5]N[3,5]C[5]Si)(C[5]C[5]Si2)2{2|C<3>,6|H<1>}	N[3,5](C[3,5]Si[3,5]C[5]Si)(C[5,6a]C[5,6a]C[6a])(Si[3,5]C[3,5]C[5]2){4|Si<4>,2|C<3>,2|H<1>,3|C<4>}	C[5](Si[3,5]C[3,5]N[3,5]C[5])(C[5]C[5]HH)(SiC3)2{3|Si<4>,1|C<3>,1|C<4>,2|H<1>}	122.1660	5.233	4	122.1660	27.380	4	122.1660	27.380	4	122.1660	27.380	4	122.1660	27.380	4	122.6983	19.503	10
872	138	474	0:SP3_SP3_SP3	Si[3,5]	N[3,6]	C[5]	4:3:4:4:	4:3:4:	4:4:4:4:	C[3,6]-4:N[3,6]-3:C[5]-4:C[5]-4:	C[3,6]-4:C[6,6a]-3:Si[3,5]-4:	Si[3,5]-4:C[5]-4:Si-4:Si-4:	Si[3,5](C[3,6]C[3,6]N[3,6]H)(N[3,6]C[6,6a]C[3,6])(C[5]C[5]Si2)2	N[3,6](C[3,6]Si[3,5]C[3,6]H)(C[6,6a]C[6,6a]C[6a])(Si[3,5]C[3,6]C[5]2)	C[5](Si[3,5]C[3,6]N[3,6]C[5])(C[5]C[5]HH)(SiC3)2	Si[3,5](C[3,6]C[3,6]N[3,6]H)(N[3,6]C[6,6a]C[3,6])(C[5]C[5]Si2)2{1|Si<4>,1|N<3>,2|C<3>,5|H<1>}	N[3,6](C[3,6]Si[3,5]C[3,6]H)(C[6,6a]C[6,6a]C[6a])(Si[3,5]C[3,6]C[5]2){5|Si<4>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5](Si[3,5]C[3,6]N[3,6]C[5])(C[5]C[5]HH)(SiC3)2{2|Si<4>,1|C<3>,1|C<4>,3|H<1>}	122.5113	5.332	4	122.5113	28.429	4	122.5113	28.429	4	122.5113	28.429	4	122.5113	28.429	4	122.6983	19.503	10
872	138	474	0:SP3_SP3_SP3	Si[3,5]	N[3]	C[5]	4:3:4:4:	4:4:3:	4:4:4:4:	C[3]-4:N[3]-3:C[5]-4:C[5]-4:	C[3]-4:Si[3,5]-4:C[6a]-3:	Si[3,5]-4:C[5]-4:Si-4:Si-4:	Si[3,5](C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[5]C[5]Si2)2	N[3](C[3]Si[3,5]C[6a]H)(Si[3,5]C[3]C[5]2)(C[6a]C[6a]2)	C[5](Si[3,5]C[3]C[5]N[3])(C[5]C[5]HH)(SiC3)2	Si[3,5](C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[5]C[5]Si2)2{4|C<3>,4|H<1>}	N[3](C[3]Si[3,5]C[6a]H)(Si[3,5]C[3]C[5]2)(C[6a]C[6a]2){4|Si<4>,2|C<4>,2|H<1>,4|C<3>}	C[5](Si[3,5]C[3]C[5]N[3])(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|C<3>,3|H<1>}	124.1370	1.638	2	124.1370	2.682	2	124.1370	2.682	2	124.1370	2.682	2	124.1370	2.682	2	122.6983	19.503	10
872	138	486	3:SP3_SP2_SP3	Si[3,5]	N[3]	C[3]	4:3:4:4:	4:4:3:	4:3:3:1:	C[3]-4:N[3]-3:C[5]-4:C[5]-4:	C[3]-4:Si[3,5]-4:C[6a]-3:	Si[3,5]-4:N[3]-3:C[6a]-3:H-1:	Si[3,5](C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[5]C[5]Si2)2	N[3](C[3]Si[3,5]C[6a]H)(Si[3,5]C[3]C[5]2)(C[6a]C[6a]2)	C[3](Si[3,5]C[5]2N[3])(N[3]Si[3,5]C[6a])(C[6a]C[6a]2)(H)	Si[3,5](C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[5]C[5]Si2)2{4|C<3>,4|H<1>}	N[3](C[3]Si[3,5]C[6a]H)(Si[3,5]C[3]C[5]2)(C[6a]C[6a]2){4|Si<4>,2|C<4>,2|H<1>,4|C<3>}	C[3](Si[3,5]C[5]2N[3])(N[3]Si[3,5]C[6a])(C[6a]C[6a]2)(H){4|Si<4>,2|C<4>,2|H<1>,4|C<3>}	48.7018	0.149	2	48.7018	0.022	2	48.7018	0.022	2	48.7018	0.022	2	48.7018	0.022	2	48.7018	0.022	2
872	138	486	3:SP3_SP3_SP3	Si[3,5]	N[3,5]	C[3,5]	3:4:4:4:	4:3:4:	3:4:4:4:	N[3,5]-3:C[3,5]-4:C[5]-4:C[5]-4:	C[3,5]-4:C[5,6a]-3:Si[3,5]-4:	N[3,5]-3:Si[3,5]-4:C[5]-4:Si-4:	Si[3,5](N[3,5]C[5,6a]C[3,5])(C[3,5]N[3,5]C[5]Si)(C[5]C[5]Si2)2	N[3,5](C[3,5]Si[3,5]C[5]Si)(C[5,6a]C[5,6a]C[6a])(Si[3,5]C[3,5]C[5]2)	C[3,5](N[3,5]C[5,6a]Si[3,5])(Si[3,5]N[3,5]C[5]2)(C[5]C[5,6a]HH)(SiC[6a]CH)	Si[3,5](N[3,5]C[5,6a]C[3,5])(C[3,5]N[3,5]C[5]Si)(C[5]C[5]Si2)2{2|C<3>,6|H<1>}	N[3,5](C[3,5]Si[3,5]C[5]Si)(C[5,6a]C[5,6a]C[6a])(Si[3,5]C[3,5]C[5]2){4|Si<4>,2|C<3>,2|H<1>,3|C<4>}	C[3,5](N[3,5]C[5,6a]Si[3,5])(Si[3,5]N[3,5]C[5]2)(C[5]C[5,6a]HH)(SiC[6a]CH){4|Si<4>,2|C<3>,2|C<4>}	51.7948	0.294	2	51.7948	0.086	2	51.7948	0.086	2	51.7948	0.086	2	51.7948	0.086	2	50.4837	1.637	6
872	138	486	3:SP3_SP3_SP3	Si[3,5]	N[3,6]	C[3,6]	4:3:4:4:	4:3:4:	4:3:4:1:	C[3,6]-4:N[3,6]-3:C[5]-4:C[5]-4:	C[3,6]-4:C[6,6a]-3:Si[3,5]-4:	C[3,6]-4:N[3,6]-3:Si[3,5]-4:H-1:	Si[3,5](C[3,6]C[3,6]N[3,6]H)(N[3,6]C[6,6a]C[3,6])(C[5]C[5]Si2)2	N[3,6](C[3,6]Si[3,5]C[3,6]H)(C[6,6a]C[6,6a]C[6a])(Si[3,5]C[3,6]C[5]2)	C[3,6](C[3,6]Si[3,5]N[3,6]H)(N[3,6]C[6,6a]Si[3,5])(Si[3,5]N[3,6]C[5]2)(H)	Si[3,5](C[3,6]C[3,6]N[3,6]H)(N[3,6]C[6,6a]C[3,6])(C[5]C[5]Si2)2{1|Si<4>,1|N<3>,2|C<3>,5|H<1>}	N[3,6](C[3,6]Si[3,5]C[3,6]H)(C[6,6a]C[6,6a]C[6a])(Si[3,5]C[3,6]C[5]2){5|Si<4>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[3,6](C[3,6]Si[3,5]N[3,6]H)(N[3,6]C[6,6a]Si[3,5])(Si[3,5]N[3,6]C[5]2)(H){4|Si<4>,2|C<3>,4|C<4>}	49.9774	0.107	2	49.9774	0.012	2	49.9774	0.012	2	49.9774	0.012	2	49.9774	0.012	2	50.4837	1.637	6
872	138	486	3:SP3_SP3_SP3	Si[3,5]	N[3]	C[3]	4:3:4:4:	4:4:3:	4:3:3:1:	C[3]-4:N[3]-3:C[5]-4:C[5]-4:	C[3]-4:Si[3,5]-4:C[6a]-3:	Si[3,5]-4:N[3]-3:C[6a]-3:H-1:	Si[3,5](C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[5]C[5]Si2)2	N[3](C[3]Si[3,5]C[6a]H)(Si[3,5]C[3]C[5]2)(C[6a]C[6a]2)	C[3](Si[3,5]C[5]2N[3])(N[3]Si[3,5]C[6a])(C[6a]C[6a]2)(H)	Si[3,5](C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[5]C[5]Si2)2{4|C<3>,4|H<1>}	N[3](C[3]Si[3,5]C[6a]H)(Si[3,5]C[3]C[5]2)(C[6a]C[6a]2){4|Si<4>,2|C<4>,2|H<1>,4|C<3>}	C[3](Si[3,5]C[5]2N[3])(N[3]Si[3,5]C[6a])(C[6a]C[6a]2)(H){4|Si<4>,2|C<4>,2|H<1>,4|C<3>}	48.4870	0.000	1	48.4870	0.000	1	48.4870	0.000	1	48.4870	0.000	1	48.4870	0.000	1	50.4837	1.637	6
872	138	486	3:SP3_SP3_SP3	Si[3]	N[3]	C[3]	4:3:3:2:	4:4:4:	4:3:3:3:	C[3]-4:N[3]-3:C[5]-3:N-2:	C[3]-4:Si[3]-4:Si-4:	Si[3]-4:C[6a]-3:C[6a]-3:N[3]-3:	Si[3](C[3]C[6a]2N[3])(N[3]C[3]Si)(C[5]N[5]2)(NC[6a])	N[3](C[3]C[6a]2Si[3])(Si[3]C[3]C[5]N)(SiC3)	C[3](Si[3]C[5]N[3]N)(C[6a]C[6a]2)2(N[3]Si[3]Si)	Si[3](C[3]C[6a]2N[3])(N[3]C[3]Si)(C[5]N[5]2)(NC[6a]){2|C<4>,6|C<3>}	N[3](C[3]C[6a]2Si[3])(Si[3]C[3]C[5]N)(SiC3){2|N<3>,4|C<3>}	C[3](Si[3]C[5]N[3]N)(C[6a]C[6a]2)2(N[3]Si[3]Si){2|N<3>,4|C<3>,4|H<1>}	50.8710	0.000	1	50.8710	0.000	1	50.8710	0.000	1	50.8710	0.000	1	50.8710	0.000	1	50.4837	1.637	6
872	138	542	0:SP3_SP2_SP2	Si[3,5]	N[3]	N[5]	4:3:3:3:	4:4:3:	4:4:4:	Si[3,5]-4:N[3]-3:N[5]-3:N[5]-3:	Si[3,5]-4:Si[3,5]-4:C[6a]-3:	Si[3,5]-4:C[5]-4:C-4:	Si[3,5](Si[3,5]N[3]N[5]2)(N[3]Si[3,5]C[6a])(N[5]C[5]C)2	N[3](Si[3,5]Si[3,5]N[5]2)2(C[6a]C[6a]2)	N[5](Si[3,5]Si[3,5]N[3]N[5])(C[5]C[5]HH)(CC3)	Si[3,5](Si[3,5]N[3]N[5]2)(N[3]Si[3,5]C[6a])(N[5]C[5]C)2{2|C<3>,3|H<1>,5|C<4>}	N[3](Si[3,5]Si[3,5]N[5]2)2(C[6a]C[6a]2){10|C<4>,2|C<3>}	N[5](Si[3,5]Si[3,5]N[3]N[5])(C[5]C[5]HH)(CC3){1|C<3>,1|H<1>,2|C<4>,2|N<3>}	131.4770	2.783	2	131.4770	7.746	2	131.4770	7.746	2	131.4770	7.746	2	131.4770	7.746	2	131.4770	7.746	2
872	138	542	0:SP3_SP2_SP3	Si[3,5]	N[3]	N[5]	4:3:3:3:	4:4:3:	4:4:4:	Si[3,5]-4:N[3]-3:N[5]-3:N[5]-3:	Si[3,5]-4:Si[3,5]-4:C[6a]-3:	Si[3,5]-4:C[5]-4:C-4:	Si[3,5](Si[3,5]N[3]N[5]2)(N[3]Si[3,5]C[6a])(N[5]C[5]C)2	N[3](Si[3,5]Si[3,5]N[5]2)2(C[6a]C[6a]2)	N[5](Si[3,5]Si[3,5]N[3]N[5])(C[5]C[5]CH)(CC3)	Si[3,5](Si[3,5]N[3]N[5]2)(N[3]Si[3,5]C[6a])(N[5]C[5]C)2{2|C<3>,3|H<1>,5|C<4>}	N[3](Si[3,5]Si[3,5]N[5]2)2(C[6a]C[6a]2){10|C<4>,2|C<3>}	N[5](Si[3,5]Si[3,5]N[3]N[5])(C[5]C[5]CH)(CC3){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	117.9400	0.218	2	117.9400	0.047	2	117.9400	0.047	2	117.9400	0.047	2	117.9400	0.047	2	117.9400	0.047	2
872	138	818	0:SP3_SP2_SP3	Si[3]	N[3]	C[5]	4:3:3:2:	4:4:4:	4:3:3:	C[3]-4:N[3]-3:C[5]-3:N-2:	C[3]-4:Si[3]-4:Si-4:	Si[3]-4:N[5]-3:N[5]-3:	Si[3](C[3]C[6a]2N[3])(N[3]C[3]Si)(C[5]N[5]2)(NC[6a])	N[3](C[3]C[6a]2Si[3])(Si[3]C[3]C[5]N)(SiC3)	C[5](Si[3]C[3]N[3]N)(N[5]C[5]C)2	Si[3](C[3]C[6a]2N[3])(N[3]C[3]Si)(C[5]N[5]2)(NC[6a]){2|C<4>,6|C<3>}	N[3](C[3]C[6a]2Si[3])(Si[3]C[3]C[5]N)(SiC3){2|N<3>,4|C<3>}	C[5](Si[3]C[3]N[3]N)(N[5]C[5]C)2{1|Si<4>,2|C<3>,2|C<4>}	111.8760	0.000	1	111.8760	0.000	1	111.8760	0.000	1	111.8760	0.000	1	111.8760	0.000	1	111.8760	0.000	1
872	138	872	3:SP3_SP2_SP3	Si[3,5]	N[3]	Si[3,5]	4:3:3:3:	4:4:3:	4:3:3:3:	Si[3,5]-4:N[3]-3:N[5]-3:N[5]-3:	Si[3,5]-4:Si[3,5]-4:C[6a]-3:	Si[3,5]-4:N[3]-3:N[5]-3:N[5]-3:	Si[3,5](Si[3,5]N[3]N[5]2)(N[3]Si[3,5]C[6a])(N[5]C[5]C)2	N[3](Si[3,5]Si[3,5]N[5]2)2(C[6a]C[6a]2)	Si[3,5](Si[3,5]N[3]N[5]2)(N[3]Si[3,5]C[6a])(N[5]C[5]C)2	Si[3,5](Si[3,5]N[3]N[5]2)(N[3]Si[3,5]C[6a])(N[5]C[5]C)2{2|C<3>,3|H<1>,5|C<4>}	N[3](Si[3,5]Si[3,5]N[5]2)2(C[6a]C[6a]2){10|C<4>,2|C<3>}	Si[3,5](Si[3,5]N[3]N[5]2)(N[3]Si[3,5]C[6a])(N[5]C[5]C)2{2|C<3>,3|H<1>,5|C<4>}	51.3328	0.441	2	51.3328	0.195	2	51.3328	0.195	2	51.3328	0.195	2	51.3328	0.195	2	51.3328	0.195	2
872	138	941	0:SP3_SP2_SP3	Si[3]	N[3]	N	4:3:3:2:	4:4:4:	4:3:	C[3]-4:N[3]-3:C[5]-3:N-2:	C[3]-4:Si[3]-4:Si-4:	Si[3]-4:C[6a]-3:	Si[3](C[3]C[6a]2N[3])(N[3]C[3]Si)(C[5]N[5]2)(NC[6a])	N[3](C[3]C[6a]2Si[3])(Si[3]C[3]C[5]N)(SiC3)	N(Si[3]C[3]C[5]N[3])(C[6a]C[6a]2)	Si[3](C[3]C[6a]2N[3])(N[3]C[3]Si)(C[5]N[5]2)(NC[6a]){2|C<4>,6|C<3>}	N[3](C[3]C[6a]2Si[3])(Si[3]C[3]C[5]N)(SiC3){2|N<3>,4|C<3>}	N(Si[3]C[3]C[5]N[3])(C[6a]C[6a]2)	133.6030	0.000	1	133.6030	0.000	1	133.6030	0.000	1	133.6030	0.000	1	133.6030	0.000	1	133.6030	0.000	1
872	474	474	5:SP3_SP3_SP3	Si[3,5]	C[5]	C[5]	3:3:4:4:	4:4:4:4:	4:4:4:4:	Si[3]-3:Si[3]-3:C[5]-4:C[5]-4:	Si[3,5]-4:C[5]-4:Si-4:Si-4:	Si[3,5]-4:C[5]-4:Si-4:Si-4:	Si[3,5](Si[3]Si[3]Si)2(C[5]C[5]Si2)2	C[5](Si[3,5]Si[3]2C[5])(C[5]C[5]HH)(SiC3)2	C[5](Si[3,5]Si[3]2C[5])(C[5]C[5]HH)(SiC3)2	Si[3,5](Si[3]Si[3]Si)2(C[5]C[5]Si2)2{4|H<1>}	C[5](Si[3,5]Si[3]2C[5])(C[5]C[5]HH)(SiC3)2{4|Si<4>,2|H<1>}	C[5](Si[3,5]Si[3]2C[5])(C[5]C[5]HH)(SiC3)2{4|Si<4>,2|H<1>}	98.4617	0.000	1	98.4617	0.000	1	98.4617	0.000	1	98.4617	0.000	1	100.3919	1.616	14	100.3919	1.616	14
872	474	474	5:SP3_SP3_SP3	Si[3,5]	C[5]	C[5]	3:4:4:4:	4:4:4:4:	4:4:4:4:	N[3,5]-3:C[3,5]-4:C[5]-4:C[5]-4:	Si[3,5]-4:C[5]-4:Si-4:Si-4:	Si[3,5]-4:C[5]-4:Si-4:Si-4:	Si[3,5](N[3,5]C[5,6a]C[3,5])(C[3,5]N[3,5]C[5]Si)(C[5]C[5]Si2)2	C[5](Si[3,5]C[3,5]N[3,5]C[5])(C[5]C[5]HH)(SiC3)2	C[5](Si[3,5]C[3,5]N[3,5]C[5])(C[5]C[5]HH)(SiC3)2	Si[3,5](N[3,5]C[5,6a]C[3,5])(C[3,5]N[3,5]C[5]Si)(C[5]C[5]Si2)2{2|C<3>,6|H<1>}	C[5](Si[3,5]C[3,5]N[3,5]C[5])(C[5]C[5]HH)(SiC3)2{3|Si<4>,1|C<3>,1|C<4>,2|H<1>}	C[5](Si[3,5]C[3,5]N[3,5]C[5])(C[5]C[5]HH)(SiC3)2{3|Si<4>,1|C<3>,1|C<4>,2|H<1>}	100.9950	0.325	2	100.9950	0.106	2	100.9950	0.106	2	100.9950	0.106	2	100.3919	1.616	14	100.3919	1.616	14
872	474	474	5:SP3_SP3_SP3	Si[3,5]	C[5]	C[5]	4:2:4:4:	4:4:4:4:	4:4:4:4:	C[3,6,6]-4:O[3]-2:C[5]-4:C[5]-4:	Si[3,5]-4:C[5]-4:Si-4:Si-4:	Si[3,5]-4:C[5]-4:Si-4:Si-4:	Si[3,5](C[3,6,6]C[3x6]2O[3])(O[3]C[3,6,6])(C[5]C[5]Si2)2	C[5](Si[3,5]C[3,6,6]C[5]O[3])(C[5]C[5]HH)(SiC3)2	C[5](Si[3,5]C[3,6,6]C[5]O[3])(C[5]C[5]HH)(SiC3)2	Si[3,5](C[3,6,6]C[3x6]2O[3])(O[3]C[3,6,6])(C[5]C[5]Si2)2{4|C<4>,6|H<1>}	C[5](Si[3,5]C[3,6,6]C[5]O[3])(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|C<4>,2|H<1>}	C[5](Si[3,5]C[3,6,6]C[5]O[3])(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|C<4>,2|H<1>}	101.0530	0.000	1	101.0530	0.000	1	101.0530	0.000	1	101.0530	0.000	1	100.3919	1.616	14	100.3919	1.616	14
872	474	474	5:SP3_SP3_SP3	Si[3,5]	C[5]	C[5]	4:3:4:4:	4:4:4:4:	4:4:4:4:	C[3,6]-4:N[3,6]-3:C[5]-4:C[5]-4:	Si[3,5]-4:C[5]-4:Si-4:Si-4:	Si[3,5]-4:C[5]-4:Si-4:Si-4:	Si[3,5](C[3,6]C[3,6]N[3,6]H)(N[3,6]C[6,6a]C[3,6])(C[5]C[5]Si2)2	C[5](Si[3,5]C[3,6]N[3,6]C[5])(C[5]C[5]HH)(SiC3)2	C[5](Si[3,5]C[3,6]N[3,6]C[5])(C[5]C[5]HH)(SiC3)2	Si[3,5](C[3,6]C[3,6]N[3,6]H)(N[3,6]C[6,6a]C[3,6])(C[5]C[5]Si2)2{1|Si<4>,1|N<3>,2|C<3>,5|H<1>}	C[5](Si[3,5]C[3,6]N[3,6]C[5])(C[5]C[5]HH)(SiC3)2{2|Si<4>,1|C<3>,1|C<4>,3|H<1>}	C[5](Si[3,5]C[3,6]N[3,6]C[5])(C[5]C[5]HH)(SiC3)2{2|Si<4>,1|C<3>,1|C<4>,3|H<1>}	101.0570	0.033	2	101.0570	0.001	2	101.0570	0.001	2	101.4134	0.169	5	100.3919	1.616	14	100.3919	1.616	14
872	474	474	5:SP3_SP3_SP3	Si[3,5]	C[5]	C[5]	4:3:4:4:	4:4:4:4:	4:4:4:4:	C[3]-4:N[3]-3:C[5]-4:C[5]-4:	Si[3,5]-4:C[5]-4:Si-4:Si-4:	Si[3,5]-4:C[5]-4:Si-4:Si-4:	Si[3,5](C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[5]C[5]Si2)2	C[5](Si[3,5]C[3]C[5]N[3])(C[5]C[5]HH)(SiC3)2	C[5](Si[3,5]C[3]C[5]N[3])(C[5]C[5]HH)(SiC3)2	Si[3,5](C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[5]C[5]Si2)2{4|C<3>,4|H<1>}	C[5](Si[3,5]C[3]C[5]N[3])(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|C<3>,3|H<1>}	C[5](Si[3,5]C[3]C[5]N[3])(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|C<3>,3|H<1>}	101.6510	0.355	3	101.6510	0.126	3	101.6510	0.126	3	101.4134	0.169	5	100.3919	1.616	14	100.3919	1.616	14
872	474	474	5:SP3_SP3_SP3	Si[3,5]	C[5]	C[5]	4:4:4:3:	4:4:4:4:	4:4:4:4:	Si[3]-4:C[5]-4:C[5]-4:C[3]-3:	Si[3,5]-4:C[5]-4:Si-4:Si-4:	Si[3,5]-4:C[5]-4:Si-4:Si-4:	Si[3,5](Si[3]C[6a]C[3]C)(C[5]C[5]Si2)2(C[3]Si[3]N)	C[5](Si[3,5]Si[3]C[3]C[5])(C[5]C[5]HH)(SiC3)2	C[5](Si[3,5]Si[3]C[3]C[5])(C[5]C[5]HH)(SiC3)2	Si[3,5](Si[3]C[6a]C[3]C)(C[5]C[5]Si2)2(C[3]Si[3]N){2|C<3>,4|H<1>}	C[5](Si[3,5]Si[3]C[3]C[5])(C[5]C[5]HH)(SiC3)2{2|Si<4>,1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](Si[3,5]Si[3]C[3]C[5])(C[5]C[5]HH)(SiC3)2{2|Si<4>,1|C<3>,1|C<4>,1|N<2>,2|H<1>}	98.9019	0.366	4	98.9019	0.134	4	98.9019	0.134	4	98.9019	0.134	4	100.3919	1.616	14	100.3919	1.616	14
872	474	474	5:SP3_SP3_SP3	Si[3,5]	C[5]	C[5]	4:4:4:4:	4:4:4:4:	4:4:4:4:	C[5]-4:C[5]-4:C[3]-4:C[3]-4:	Si[3,5]-4:C[5]-4:Si-4:Si-4:	Si[3,5]-4:C[5]-4:Si-4:Si-4:	Si[3,5](C[5]C[5]Si2)2(C[3]C[3]CH)2	C[5](Si[3,5]C[3]2C[5])(C[5]C[5]HH)(SiC3)2	C[5](Si[3,5]C[3]2C[5])(C[5]C[5]HH)(SiC3)2	Si[3,5](C[5]C[5]Si2)2(C[3]C[3]CH)2{4|H<1>}	C[5](Si[3,5]C[3]2C[5])(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|C<3>,4|H<1>}	C[5](Si[3,5]C[3]2C[5])(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|C<3>,4|H<1>}	101.3080	0.000	1	101.3080	0.000	1	101.3080	0.000	1	101.3080	0.000	1	100.3919	1.616	14	100.3919	1.616	14
872	474	486	0:SP3_SP3_SP3	Si[3,5]	C[5]	C[3,5]	3:4:4:4:	4:4:4:4:	3:4:4:4:	N[3,5]-3:C[3,5]-4:C[5]-4:C[5]-4:	Si[3,5]-4:C[5]-4:Si-4:Si-4:	N[3,5]-3:Si[3,5]-4:C[5]-4:Si-4:	Si[3,5](N[3,5]C[5,6a]C[3,5])(C[3,5]N[3,5]C[5]Si)(C[5]C[5]Si2)2	C[5](Si[3,5]C[3,5]N[3,5]C[5])(C[5]C[5]HH)(SiC3)2	C[3,5](N[3,5]C[5,6a]Si[3,5])(Si[3,5]N[3,5]C[5]2)(C[5]C[5,6a]HH)(SiC[6a]CH)	Si[3,5](N[3,5]C[5,6a]C[3,5])(C[3,5]N[3,5]C[5]Si)(C[5]C[5]Si2)2{2|C<3>,6|H<1>}	C[5](Si[3,5]C[3,5]N[3,5]C[5])(C[5]C[5]HH)(SiC3)2{3|Si<4>,1|C<3>,1|C<4>,2|H<1>}	C[3,5](N[3,5]C[5,6a]Si[3,5])(Si[3,5]N[3,5]C[5]2)(C[5]C[5,6a]HH)(SiC[6a]CH){4|Si<4>,2|C<3>,2|C<4>}	127.2410	4.731	4	127.2410	22.384	4	127.2410	22.384	4	127.2410	22.384	4	127.2410	22.384	4	126.0567	34.014	21
872	474	486	0:SP3_SP3_SP3	Si[3,5]	C[5]	C[3,6,6]	4:2:4:4:	4:4:4:4:	4:4:4:2:	C[3,6,6]-4:O[3]-2:C[5]-4:C[5]-4:	Si[3,5]-4:C[5]-4:Si-4:Si-4:	Si[3,5]-4:C[3x6]-4:C[3x6]-4:O[3]-2:	Si[3,5](C[3,6,6]C[3x6]2O[3])(O[3]C[3,6,6])(C[5]C[5]Si2)2	C[5](Si[3,5]C[3,6,6]C[5]O[3])(C[5]C[5]HH)(SiC3)2	C[3,6,6](Si[3,5]C[5]2O[3])(C[3x6]C[6,6]2H)2(O[3]Si[3,5])	Si[3,5](C[3,6,6]C[3x6]2O[3])(O[3]C[3,6,6])(C[5]C[5]Si2)2{4|C<4>,6|H<1>}	C[5](Si[3,5]C[3,6,6]C[5]O[3])(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|C<4>,2|H<1>}	C[3,6,6](Si[3,5]C[5]2O[3])(C[3x6]C[6,6]2H)2(O[3]Si[3,5]){4|Si<4>,4|C<4>,8|H<1>}	128.8295	3.149	2	128.8295	9.915	2	128.8295	9.915	2	128.8295	9.915	2	128.8295	9.915	2	126.0567	34.014	21
872	474	486	0:SP3_SP3_SP3	Si[3,5]	C[5]	C[3,6]	4:3:4:4:	4:4:4:4:	4:3:4:1:	C[3,6]-4:N[3,6]-3:C[5]-4:C[5]-4:	Si[3,5]-4:C[5]-4:Si-4:Si-4:	C[3,6]-4:N[3,6]-3:Si[3,5]-4:H-1:	Si[3,5](C[3,6]C[3,6]N[3,6]H)(N[3,6]C[6,6a]C[3,6])(C[5]C[5]Si2)2	C[5](Si[3,5]C[3,6]N[3,6]C[5])(C[5]C[5]HH)(SiC3)2	C[3,6](C[3,6]Si[3,5]N[3,6]H)(N[3,6]C[6,6a]Si[3,5])(Si[3,5]N[3,6]C[5]2)(H)	Si[3,5](C[3,6]C[3,6]N[3,6]H)(N[3,6]C[6,6a]C[3,6])(C[5]C[5]Si2)2{1|Si<4>,1|N<3>,2|C<3>,5|H<1>}	C[5](Si[3,5]C[3,6]N[3,6]C[5])(C[5]C[5]HH)(SiC3)2{2|Si<4>,1|C<3>,1|C<4>,3|H<1>}	C[3,6](C[3,6]Si[3,5]N[3,6]H)(N[3,6]C[6,6a]Si[3,5])(Si[3,5]N[3,6]C[5]2)(H){4|Si<4>,2|C<3>,4|C<4>}	127.2490	2.287	4	127.2490	5.229	4	127.2490	5.229	4	127.2490	5.229	4	127.2490	5.229	4	126.0567	34.014	21
872	474	486	0:SP3_SP3_SP3	Si[3,5]	C[5]	C[3]	4:3:4:4:	4:4:4:4:	4:3:3:1:	C[3]-4:N[3]-3:C[5]-4:C[5]-4:	Si[3,5]-4:C[5]-4:Si-4:Si-4:	Si[3,5]-4:N[3]-3:C[6a]-3:H-1:	Si[3,5](C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[5]C[5]Si2)2	C[5](Si[3,5]C[3]C[5]N[3])(C[5]C[5]HH)(SiC3)2	C[3](Si[3,5]C[5]2N[3])(N[3]Si[3,5]C[6a])(C[6a]C[6a]2)(H)	Si[3,5](C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[5]C[5]Si2)2{4|C<3>,4|H<1>}	C[5](Si[3,5]C[3]C[5]N[3])(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|C<3>,3|H<1>}	C[3](Si[3,5]C[5]2N[3])(N[3]Si[3,5]C[6a])(C[6a]C[6a]2)(H){4|Si<4>,2|C<4>,2|H<1>,4|C<3>}	126.2887	6.365	6	126.2887	40.516	6	126.2887	40.516	6	126.2887	40.516	6	125.8845	42.540	10	126.0567	34.014	21
872	474	486	0:SP3_SP3_SP3	Si[3,5]	C[5]	C[3]	4:4:4:4:	4:4:4:4:	4:4:3:1:	C[5]-4:C[5]-4:C[3]-4:C[3]-4:	Si[3,5]-4:C[5]-4:Si-4:Si-4:	Si[3,5]-4:C[3]-4:C-3:H-1:	Si[3,5](C[5]C[5]Si2)2(C[3]C[3]CH)2	C[5](Si[3,5]C[3]2C[5])(C[5]C[5]HH)(SiC3)2	C[3](Si[3,5]C[3]C[5]2)(C[3]Si[3,5]CH)(CCH)(H)	Si[3,5](C[5]C[5]Si2)2(C[3]C[3]CH)2{4|H<1>}	C[5](Si[3,5]C[3]2C[5])(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|C<3>,4|H<1>}	C[3](Si[3,5]C[3]C[5]2)(C[3]Si[3,5]CH)(CCH)(H){4|Si<4>,2|C<4>}	125.3165	9.211	2	125.3165	84.851	2	125.2782	59.276	4	125.2782	59.276	4	125.8845	42.540	10	126.0567	34.014	21
872	474	486	0:SP3_SP3_SP3	Si[3,5]	C[5]	C[3]	4:4:4:4:	4:4:4:4:	4:4:3:1:	C[5]-4:C[5]-4:C[3]-4:C[3]-4:	Si[3,5]-4:C[5]-4:Si-4:Si-4:	Si[3,5]-4:C[3]-4:C-3:H-1:	Si[3,5](C[5]C[5]Si2)2(C[3]C[3]CH)2	C[5](Si[3,5]C[3]2C[5])(C[5]C[5]HH)(SiC3)2	C[3](Si[3,5]C[3]C[5]2)(C[3]Si[3,5]CH)(CC[6]H)(H)	Si[3,5](C[5]C[5]Si2)2(C[3]C[3]CH)2{4|H<1>}	C[5](Si[3,5]C[3]2C[5])(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|C<3>,4|H<1>}	C[3](Si[3,5]C[3]C[5]2)(C[3]Si[3,5]CH)(CC[6]H)(H){4|Si<4>,2|C<4>}	125.2400	9.642	2	125.2400	92.970	2	125.2782	59.276	4	125.2782	59.276	4	125.8845	42.540	10	126.0567	34.014	21
872	474	486	0:SP3_SP3_SP3	Si[3]	C[5]	C[3]	4:4:4:4:	4:3:3:4:	4:4:1:1:	C[3]-4:C[3]-4:C[5]-4:Si-4:	Si[3]-4:C[5]-3:C[5]-3:C-4:	Si[3]-4:C[3]-4:H-1:H-1:	Si[3](C[3]C[3]HH)2(C[5]C[5]2C)(SiSi3)	C[5](Si[3]C[3]2Si)(C[5]C[5]C)2(CH3)	C[3](Si[3]C[3]C[5]Si)(C[3]Si[3]HH)(H)2	Si[3](C[3]C[3]HH)2(C[5]C[5]2C)(SiSi3){2|C<3>,2|C<4>}	C[5](Si[3]C[3]2Si)(C[5]C[5]C)2(CH3){2|C<4>,4|H<1>}	C[3](Si[3]C[3]C[5]Si)(C[3]Si[3]HH)(H)2{1|C<4>,2|C<3>}	112.7260	0.000	1	112.7260	0.000	1	112.7260	0.000	1	112.7260	0.000	1	112.7260	0.000	1	126.0567	34.014	21
872	474	869	0:SP3_SP2_SP3	Si[3,5]	C[5]	Si[3]	3:3:4:4:	4:4:4:4:	4:3:4:	Si[3]-3:Si[3]-3:C[5]-4:C[5]-4:	Si[3,5]-4:C[5]-4:Si-4:Si-4:	Si[3,5]-4:Si[3]-3:Si-4:	Si[3,5](Si[3]Si[3]Si)2(C[5]C[5]Si2)2	C[5](Si[3,5]Si[3]2C[5])(C[5]C[5]HH)(SiC3)2	Si[3](Si[3,5]Si[3]C[5]2)(Si[3]Si[3,5]Si)(SiC3)	Si[3,5](Si[3]Si[3]Si)2(C[5]C[5]Si2)2{4|H<1>}	C[5](Si[3,5]Si[3]2C[5])(C[5]C[5]HH)(SiC3)2{4|Si<4>,2|H<1>}	Si[3](Si[3,5]Si[3]C[5]2)(Si[3]Si[3,5]Si)(SiC3){4|Si<4>,2|C<4>}	125.3120	1.056	4	125.3120	1.116	4	125.3120	1.116	4	125.3120	1.116	4	125.3120	1.116	4	125.3120	1.116	4
872	474	872	0:SP3_SP3_SP3	Si[3,5]	C[5]	Si[3]	4:4:4:3:	4:4:4:4:	3:4:3:4:	Si[3]-4:C[5]-4:C[5]-4:C[3]-3:	Si[3,5]-4:C[5]-4:Si-4:Si-4:	C[6a]-3:Si[3,5]-4:C[3]-3:C-4:	Si[3,5](Si[3]C[6a]C[3]C)(C[5]C[5]Si2)2(C[3]Si[3]N)	C[5](Si[3,5]Si[3]C[3]C[5])(C[5]C[5]HH)(SiC3)2	Si[3](C[6a]C[6a,6a]C[6a])(Si[3,5]C[3]C[5]2)(C[3]Si[3,5]N)(CC3)	Si[3,5](Si[3]C[6a]C[3]C)(C[5]C[5]Si2)2(C[3]Si[3]N){2|C<3>,4|H<1>}	C[5](Si[3,5]Si[3]C[3]C[5])(C[5]C[5]HH)(SiC3)2{2|Si<4>,1|C<3>,1|C<4>,1|N<2>,2|H<1>}	Si[3](C[6a]C[6a,6a]C[6a])(Si[3,5]C[3]C[5]2)(C[3]Si[3,5]N)(CC3){4|Si<4>,1|H<1>,2|C<4>,3|C<3>}	128.7953	3.100	4	128.7953	9.607	4	128.7953	9.607	4	128.7953	9.607	4	128.7641	12.885	8	128.7641	12.885	8
872	474	872	0:SP3_SP3_SP3	Si[3,5]	C[5]	Si[3]	4:4:4:3:	4:4:4:4:	4:3:3:4:	Si[3]-4:C[5]-4:C[5]-4:C[3]-3:	Si[3,5]-4:C[5]-4:Si-4:Si-4:	Si[3,5]-4:C[6a]-3:C[3]-3:C-4:	Si[3,5](Si[3]C[6a]C[3]C)(C[5]C[5]Si2)2(C[3]Si[3]N)	C[5](Si[3,5]Si[3]C[3]C[5])(C[5]C[5]HH)(SiC3)2	Si[3](Si[3,5]C[3]C[5]2)(C[6a]C[6a,6a]2)(C[3]Si[3,5]N)(CC3)	Si[3,5](Si[3]C[6a]C[3]C)(C[5]C[5]Si2)2(C[3]Si[3]N){2|C<3>,4|H<1>}	C[5](Si[3,5]Si[3]C[3]C[5])(C[5]C[5]HH)(SiC3)2{2|Si<4>,1|C<3>,1|C<4>,1|N<2>,2|H<1>}	Si[3](Si[3,5]C[3]C[5]2)(C[6a]C[6a,6a]2)(C[3]Si[3,5]N)(CC3){4|Si<4>,2|C<4>,4|C<3>}	128.7330	4.523	4	128.7330	20.456	4	128.7330	20.456	4	128.7330	20.456	4	128.7641	12.885	8	128.7641	12.885	8
872	474	880	0:SP3_SP3_SP3	Si[3]	C[5]	Si	4:4:4:4:	4:3:3:4:	4:4:4:4:	C[3]-4:C[3]-4:C[5]-4:Si-4:	Si[3]-4:C[5]-3:C[5]-3:C-4:	Si[3]-4:Si-4:Si-4:Si-4:	Si[3](C[3]C[3]HH)2(C[5]C[5]2C)(SiSi3)	C[5](Si[3]C[3]2Si)(C[5]C[5]C)2(CH3)	Si(Si[3]C[3]2C[5])(SiC3)3	Si[3](C[3]C[3]HH)2(C[5]C[5]2C)(SiSi3){2|C<3>,2|C<4>}	C[5](Si[3]C[3]2Si)(C[5]C[5]C)2(CH3){2|C<4>,4|H<1>}	Si(Si[3]C[3]2C[5])(SiC3)3	127.2740	0.000	1	127.2740	0.000	1	127.2740	0.000	1	127.2740	0.000	1	127.2740	0.000	1	127.2740	0.000	1
872	474	902	0:SP3_SP2_SP3	Si[3,5]	C[5]	C[3]	4:4:4:3:	4:4:4:4:	4:4:2:	Si[3]-4:C[5]-4:C[5]-4:C[3]-3:	Si[3,5]-4:C[5]-4:Si-4:Si-4:	Si[3]-4:Si[3,5]-4:N-2:	Si[3,5](Si[3]C[6a]C[3]C)(C[5]C[5]Si2)2(C[3]Si[3]N)	C[5](Si[3,5]Si[3]C[3]C[5])(C[5]C[5]HH)(SiC3)2	C[3](Si[3]Si[3,5]C[6a]C)(Si[3,5]Si[3]C[5]2)(NC[6a])	Si[3,5](Si[3]C[6a]C[3]C)(C[5]C[5]Si2)2(C[3]Si[3]N){2|C<3>,4|H<1>}	C[5](Si[3,5]Si[3]C[3]C[5])(C[5]C[5]HH)(SiC3)2{2|Si<4>,1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[3](Si[3]Si[3,5]C[6a]C)(Si[3,5]Si[3]C[5]2)(NC[6a]){4|Si<4>,2|C<3>,2|C<4>}	121.1531	1.526	8	121.1531	2.328	8	121.1531	2.328	8	121.1531	2.328	8	121.1531	2.328	8	121.1531	2.328	8
872	474	962	0:SP3_SP3_SP3	Si[3,5]	C[5]	O[3]	4:2:4:4:	4:4:4:4:	4:4:	C[3,6,6]-4:O[3]-2:C[5]-4:C[5]-4:	Si[3,5]-4:C[5]-4:Si-4:Si-4:	C[3,6,6]-4:Si[3,5]-4:	Si[3,5](C[3,6,6]C[3x6]2O[3])(O[3]C[3,6,6])(C[5]C[5]Si2)2	C[5](Si[3,5]C[3,6,6]C[5]O[3])(C[5]C[5]HH)(SiC3)2	O[3](C[3,6,6]Si[3,5]C[3x6]2)(Si[3,5]C[3,6,6]C[5]2)	Si[3,5](C[3,6,6]C[3x6]2O[3])(O[3]C[3,6,6])(C[5]C[5]Si2)2{4|C<4>,6|H<1>}	C[5](Si[3,5]C[3,6,6]C[5]O[3])(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|C<4>,2|H<1>}	O[3](C[3,6,6]Si[3,5]C[3x6]2)(Si[3,5]C[3,6,6]C[5]2){4|Si<4>,2|H<1>,6|C<4>}	118.4830	2.143	2	118.4830	4.590	2	118.4830	4.590	2	118.4830	4.590	2	118.4830	4.590	2	118.4830	4.590	2
872	486	486	3:SP3_SP3_SP3	Si[3,4,6]	C[3,4,5]	C[3,5,6]	4:4:4:3:	4:4:4:4:	4:4:3:4:	C[3,4,5]-4:C[3,5,6]-4:Si[4,6]-4:N-3:	Si[3,4,6]-4:C[3,5,6]-4:C[4,5,6]-4:C-4:	C[3,4,5]-4:Si[3,4,6]-4:C[5,6]-3:C-4:	Si[3,4,6](C[3,4,5]C[3,5,6]C[4,5,6]C)(C[3,5,6]C[3,4,5]C[5,6]C)(Si[4,6]C[4,5,6]ClN)(NSi2)	C[3,4,5](Si[3,4,6]C[3,5,6]Si[4,6]N)(C[3,5,6]Si[3,4,6]C[5,6]C)(C[4,5,6]Si[4,6]C[5,6]C)(CH3)	C[3,5,6](C[3,4,5]Si[3,4,6]C[4,5,6]C)(Si[3,4,6]C[3,4,5]Si[4,6]N)(C[5,6]C[5,6]C)(CH3)	Si[3,4,6](C[3,4,5]C[3,5,6]C[4,5,6]C)(C[3,5,6]C[3,4,5]C[5,6]C)(Si[4,6]C[4,5,6]ClN)(NSi2){1|C<3>,2|C<4>}	C[3,4,5](Si[3,4,6]C[3,5,6]Si[4,6]N)(C[3,5,6]Si[3,4,6]C[5,6]C)(C[4,5,6]Si[4,6]C[5,6]C)(CH3){1|Cl<1>,1|N<3>,2|C<4>}	C[3,5,6](C[3,4,5]Si[3,4,6]C[4,5,6]C)(Si[3,4,6]C[3,4,5]Si[4,6]N)(C[5,6]C[5,6]C)(CH3){1|Cl<1>,1|N<3>,2|C<4>}	48.6662	0.000	1	48.6662	0.000	1	48.6662	0.000	1	48.6662	0.000	1	48.6662	0.000	1	49.3448	1.478	7
872	486	486	3:SP3_SP3_SP3	Si[3,5]	C[3]	C[3]	4:4:4:4:	4:4:3:1:	4:4:3:1:	C[5]-4:C[5]-4:C[3]-4:C[3]-4:	Si[3,5]-4:C[3]-4:C-3:H-1:	Si[3,5]-4:C[3]-4:C-3:H-1:	Si[3,5](C[5]C[5]Si2)2(C[3]C[3]CH)2	C[3](Si[3,5]C[3]C[5]2)(C[3]Si[3,5]CH)(CC[6]H)(H)	C[3](Si[3,5]C[3]C[5]2)(C[3]Si[3,5]CH)(CCH)(H)	Si[3,5](C[5]C[5]Si2)2(C[3]C[3]CH)2{4|H<1>}	C[3](Si[3,5]C[3]C[5]2)(C[3]Si[3,5]CH)(CC[6]H)(H){4|Si<4>,2|C<4>}	C[3](Si[3,5]C[3]C[5]2)(C[3]Si[3,5]CH)(CCH)(H){4|Si<4>,2|C<4>}	48.1385	0.000	1	48.1385	0.000	1	48.1385	0.000	1	48.1385	0.000	1	48.1385	0.000	1	49.3448	1.478	7
872	486	486	3:SP3_SP3_SP3	Si[3]	C[3]	C[3]	4:4:3:4:	4:4:1:1:	4:4:1:1:	C[3]-4:C[3]-4:N-3:C-4:	C[3]-4:Si[3]-4:H-1:H-1:	C[3]-4:Si[3]-4:H-1:H-1:	Si[3](C[3]C[3]HH)2(NC[6a]Si)(CCHH)	C[3](C[3]Si[3]HH)(Si[3]C[3]CN)(H)2	C[3](C[3]Si[3]HH)(Si[3]C[3]CN)(H)2	Si[3](C[3]C[3]HH)2(NC[6a]Si)(CCHH)	C[3](C[3]Si[3]HH)(Si[3]C[3]CN)(H)2	C[3](C[3]Si[3]HH)(Si[3]C[3]CN)(H)2	51.2409	0.000	1	51.2409	0.000	1	51.2409	0.000	1	50.4738	1.177	2	49.7217	1.561	5	49.3448	1.478	7
872	486	486	3:SP3_SP3_SP3	Si[3]	C[3]	C[3]	4:4:3:4:	4:4:1:1:	4:4:1:1:	C[3]-4:C[3]-4:N-3:Si-4:	Si[3]-4:C[3]-4:H-1:H-1:	Si[3]-4:C[3]-4:H-1:H-1:	Si[3](C[3]C[3]HH)2(NC[6a]Si)(SiSi3)	C[3](Si[3]C[3]SiN)(C[3]Si[3]HH)(H)2	C[3](Si[3]C[3]SiN)(C[3]Si[3]HH)(H)2	Si[3](C[3]C[3]HH)2(NC[6a]Si)(SiSi3)	C[3](Si[3]C[3]SiN)(C[3]Si[3]HH)(H)2	C[3](Si[3]C[3]SiN)(C[3]Si[3]HH)(H)2	49.7067	0.000	1	49.7067	0.000	1	49.7067	0.000	1	50.4738	1.177	2	49.7217	1.561	5	49.3448	1.478	7
872	486	486	3:SP3_SP3_SP3	Si[3]	C[3]	C[3]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[3]-4:C[3]-4:C[5]-4:Si-4:	Si[3]-4:C[3]-4:H-1:H-1:	Si[3]-4:C[3]-4:H-1:H-1:	Si[3](C[3]C[3]HH)2(C[5]C[5]2C)(SiSi3)	C[3](Si[3]C[3]C[5]Si)(C[3]Si[3]HH)(H)2	C[3](Si[3]C[3]C[5]Si)(C[3]Si[3]HH)(H)2	Si[3](C[3]C[3]HH)2(C[5]C[5]2C)(SiSi3){2|C<3>,2|C<4>}	C[3](Si[3]C[3]C[5]Si)(C[3]Si[3]HH)(H)2{1|C<4>,2|C<3>}	C[3](Si[3]C[3]C[5]Si)(C[3]Si[3]HH)(H)2{1|C<4>,2|C<3>}	48.8217	0.000	1	48.8217	0.000	1	48.8217	0.000	1	48.5140	0.189	2	49.7217	1.561	5	49.3448	1.478	7
872	486	486	3:SP3_SP3_SP3	Si[3]	C[3]	C[3]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[3]-4:C[3]-4:Si-4:Si-4:	Si[3]-4:C[3]-4:H-1:H-1:	Si[3]-4:C[3]-4:H-1:H-1:	Si[3](C[3]C[3]HH)2(SiSi3)(SiC3)	C[3](Si[3]C[3]Si2)(C[3]Si[3]HH)(H)2	C[3](Si[3]C[3]Si2)(C[3]Si[3]HH)(H)2	Si[3](C[3]C[3]HH)2(SiSi3)(SiC3)	C[3](Si[3]C[3]Si2)(C[3]Si[3]HH)(H)2	C[3](Si[3]C[3]Si2)(C[3]Si[3]HH)(H)2	48.2064	0.000	1	48.2064	0.000	1	48.2064	0.000	1	48.5140	0.189	2	49.7217	1.561	5	49.3448	1.478	7
872	486	486	3:SP3_SP3_SP3	Si[3]	C[3]	C[3]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[3]-4:C[3]-4:C-4:C-4:	C[3]-4:Si[3]-4:Si-4:H-1:	C[3]-4:Si[3]-4:H-1:H-1:	Si[3](C[3]C[3]SiH)(C[3]C[3]HH)(CC3)2	C[3](C[3]Si[3]HH)(Si[3]C[3]CC)(SiC[3]3)(H)	C[3](C[3]Si[3]SiH)(Si[3]C[3]CC)(H)2	Si[3](C[3]C[3]SiH)(C[3]C[3]HH)(CC3)2	C[3](C[3]Si[3]HH)(Si[3]C[3]CC)(SiC[3]3)(H)	C[3](C[3]Si[3]SiH)(Si[3]C[3]CC)(H)2	50.6329	0.000	1	50.6329	0.000	1	50.6329	0.000	1	50.6329	0.000	1	49.7217	1.561	5	49.3448	1.478	7
872	486	490	0:SP3_SP3_SP3	Si[3]	C[3]	C	4:4:3:4:	4:4:1:1:	4:4:1:1:	C[3]-4:C[3]-4:N-3:C-4:	C[3]-4:Si[3]-4:H-1:H-1:	Si[3]-4:C-4:H-1:H-1:	Si[3](C[3]C[3]HH)2(NC[6a]Si)(CCHH)	C[3](C[3]Si[3]HH)(Si[3]C[3]CN)(H)2	C(Si[3]C[3]2N)(CSiHH)(H)2	Si[3](C[3]C[3]HH)2(NC[6a]Si)(CCHH)	C[3](C[3]Si[3]HH)(Si[3]C[3]CN)(H)2	C(Si[3]C[3]2N)(CSiHH)(H)2	117.9815	0.917	2	117.9815	0.841	2	117.9815	0.841	2	117.9815	0.841	2	117.0474	11.498	9	117.0474	11.498	9
872	486	490	0:SP3_SP3_SP3	Si[3]	C[3]	C	4:4:4:4:	4:4:1:1:	4:4:4:4:	C[3]-4:C[3]-4:C-4:C-4:	C[3]-4:Si[3]-4:H-1:H-1:	Si[3]-4:C-4:C-4:C-4:	Si[3](C[3]C[3]SiH)(C[3]C[3]HH)(CC3)2	C[3](C[3]Si[3]SiH)(Si[3]C[3]CC)(H)2	C(Si[3]C[3]2C)(CH3)3	Si[3](C[3]C[3]SiH)(C[3]C[3]HH)(CC3)2	C[3](C[3]Si[3]SiH)(Si[3]C[3]CC)(H)2	C(Si[3]C[3]2C)(CH3)3	115.9480	3.934	2	115.9480	15.479	2	115.9480	15.479	2	115.9480	15.479	2	117.0474	11.498	9	117.0474	11.498	9
872	486	490	0:SP3_SP3_SP3	Si[3]	C[3]	C	4:4:4:4:	4:4:4:1:	4:4:4:4:	C[3]-4:C[3]-4:C-4:C-4:	C[3]-4:Si[3]-4:Si-4:H-1:	Si[3]-4:C-4:C-4:C-4:	Si[3](C[3]C[3]SiH)(C[3]C[3]HH)(CC3)2	C[3](C[3]Si[3]HH)(Si[3]C[3]CC)(SiC[3]3)(H)	C(Si[3]C[3]2C)(CH3)3	Si[3](C[3]C[3]SiH)(C[3]C[3]HH)(CC3)2	C[3](C[3]Si[3]HH)(Si[3]C[3]CC)(SiC[3]3)(H)	C(Si[3]C[3]2C)(CH3)3	119.1355	3.239	2	119.1355	10.493	2	119.1355	10.493	2	119.1355	10.493	2	117.0474	11.498	9	117.0474	11.498	9
872	486	490	0:SP3_SP3_SP3	Si[3]	C[3]	C	4:4:4:4:	4:4:4:4:	4:1:1:1:	C[3]-4:Si[3]-4:Si-4:C-4:	Si[3]-4:Si[3]-4:Si-4:Si-4:	Si[3]-4:H-1:H-1:H-1:	Si[3](C[3]Si[3]Si2)(Si[3]C[3]CC)(SiLiSiH)(CH3)	C[3](Si[3]Si[3]SiC)(Si[3]Si[3]CC)(SiC3)2	C(Si[3]Si[3]C[3]Si)(H)3	Si[3](C[3]Si[3]Si2)(Si[3]C[3]CC)(SiLiSiH)(CH3)	C[3](Si[3]Si[3]SiC)(Si[3]Si[3]CC)(SiC3)2	C(Si[3]Si[3]C[3]Si)(H)3	110.8650	0.000	1	110.8650	0.000	1	110.8650	0.000	1	110.8650	0.000	1	117.0474	11.498	9	117.0474	11.498	9
872	486	490	0:SP3_SP3_SP3	Si[3]	C[3]	C	4:4:4:4:	4:4:4:4:	4:4:4:1:	C[3]-4:Si[3]-4:C-4:C-4:	Si[3]-4:Si[3]-4:Si-4:Si-4:	Si[3]-4:C-4:C-4:H-1:	Si[3](C[3]Si[3]Si2)(Si[3]C[3]SiC)(CSi2H)(CCCH)	C[3](Si[3]Si[3]SiC)(Si[3]Si[3]CC)(SiC3)2	C(Si[3]Si[3]C[3]C)(CH3)2(H)	Si[3](C[3]Si[3]Si2)(Si[3]C[3]SiC)(CSi2H)(CCCH)	C[3](Si[3]Si[3]SiC)(Si[3]Si[3]CC)(SiC3)2	C(Si[3]Si[3]C[3]C)(CH3)2(H)	120.5970	0.000	1	120.5970	0.000	1	120.5970	0.000	1	118.2160	11.338	2	117.0474	11.498	9	117.0474	11.498	9
872	486	490	0:SP3_SP3_SP3	Si[3]	C[3]	C	4:4:4:4:	4:4:4:4:	4:4:4:1:	C[3]-4:Si[3]-4:C-4:C-4:	Si[3]-4:Si[3]-4:Si-4:Si-4:	Si[3]-4:Si-4:Si-4:H-1:	Si[3](C[3]Si[3]Si2)(Si[3]C[3]SiC)(CSi2H)(CCCH)	C[3](Si[3]Si[3]SiC)(Si[3]Si[3]CC)(SiC3)2	C(Si[3]Si[3]C[3]C)(SiC3)2(H)	Si[3](C[3]Si[3]Si2)(Si[3]C[3]SiC)(CSi2H)(CCCH)	C[3](Si[3]Si[3]SiC)(Si[3]Si[3]CC)(SiC3)2	C(Si[3]Si[3]C[3]C)(SiC3)2(H)	115.8350	0.000	1	115.8350	0.000	1	115.8350	0.000	1	118.2160	11.338	2	117.0474	11.498	9	117.0474	11.498	9
872	486	818	0:SP3_SP2_SP3	Si[3]	C[3]	C[5]	4:3:3:2:	4:3:3:3:	4:3:3:	C[3]-4:N[3]-3:C[5]-3:N-2:	Si[3]-4:C[6a]-3:C[6a]-3:N[3]-3:	Si[3]-4:N[5]-3:N[5]-3:	Si[3](C[3]C[6a]2N[3])(N[3]C[3]Si)(C[5]N[5]2)(NC[6a])	C[3](Si[3]C[5]N[3]N)(C[6a]C[6a]2)2(N[3]Si[3]Si)	C[5](Si[3]C[3]N[3]N)(N[5]C[5]C)2	Si[3](C[3]C[6a]2N[3])(N[3]C[3]Si)(C[5]N[5]2)(NC[6a]){2|C<4>,6|C<3>}	C[3](Si[3]C[5]N[3]N)(C[6a]C[6a]2)2(N[3]Si[3]Si){2|N<3>,4|C<3>,4|H<1>}	C[5](Si[3]C[3]N[3]N)(N[5]C[5]C)2{1|Si<4>,2|C<3>,2|C<4>}	110.3980	0.000	1	110.3980	0.000	1	110.3980	0.000	1	110.3980	0.000	1	110.3980	0.000	1	110.3980	0.000	1
872	486	872	0:SP3_SP3_SP3	Si[3,3]	C[3]	Si[3]	4:4:4:4:	4:4:1:1:	4:4:4:4:	Si[3,3]-4:Si[3]-4:C[3]-4:Si-4:	Si[3,3]-4:Si[3,3]-4:H-1:H-1:	Si[3,3]-4:Si[3,3]-4:Si-4:Si-4:	Si[3,3](Si[3,3]Si[3]C[3]Si)(Si[3]Si[3,3]Si2)(C[3]Si[3,3]HH)(SiC3)	C[3](Si[3,3]Si[3,3]Si[3]Si)2(H)2	Si[3](Si[3,3]Si[3,3]C[3]Si)2(SiC3)2	Si[3,3](Si[3,3]Si[3]C[3]Si)(Si[3]Si[3,3]Si2)(C[3]Si[3,3]HH)(SiC3)	C[3](Si[3,3]Si[3,3]Si[3]Si)2(H)2{2|Si<4>}	Si[3](Si[3,3]Si[3,3]C[3]Si)2(SiC3)2{2|H<1>}	91.0620	0.533	4	91.0620	0.284	4	91.0620	0.284	4	91.0620	0.284	4	91.0620	0.284	4	91.0620	0.284	4
872	486	872	3:SP3_SP3_SP3	Si[3,3]	C[3]	Si[3,3]	4:4:4:4:	4:4:1:1:	4:4:4:4:	Si[3,3]-4:Si[3]-4:C[3]-4:Si-4:	Si[3,3]-4:Si[3,3]-4:H-1:H-1:	Si[3,3]-4:Si[3]-4:C[3]-4:Si-4:	Si[3,3](Si[3,3]Si[3]C[3]Si)(Si[3]Si[3,3]Si2)(C[3]Si[3,3]HH)(SiC3)	C[3](Si[3,3]Si[3,3]Si[3]Si)2(H)2	Si[3,3](Si[3,3]Si[3]C[3]Si)(Si[3]Si[3,3]Si2)(C[3]Si[3,3]HH)(SiC3)	Si[3,3](Si[3,3]Si[3]C[3]Si)(Si[3]Si[3,3]Si2)(C[3]Si[3,3]HH)(SiC3)	C[3](Si[3,3]Si[3,3]Si[3]Si)2(H)2{2|Si<4>}	Si[3,3](Si[3,3]Si[3]C[3]Si)(Si[3]Si[3,3]Si2)(C[3]Si[3,3]HH)(SiC3)	53.5753	0.352	4	53.5753	0.124	4	53.5753	0.124	4	53.5753	0.124	4	53.5753	0.124	4	53.9704	1.172	6
872	486	872	3:SP3_SP3_SP3	Si[3]	C[3]	Si[3]	4:4:4:4:	4:4:4:4:	4:4:4:4:	C[3]-4:Si[3]-4:C-4:C-4:	Si[3]-4:Si[3]-4:Si-4:Si-4:	C[3]-4:Si[3]-4:Si-4:C-4:	Si[3](C[3]Si[3]Si2)(Si[3]C[3]SiC)(CSi2H)(CCCH)	C[3](Si[3]Si[3]SiC)(Si[3]Si[3]CC)(SiC3)2	Si[3](C[3]Si[3]Si2)(Si[3]C[3]CC)(SiLiSiH)(CH3)	Si[3](C[3]Si[3]Si2)(Si[3]C[3]SiC)(CSi2H)(CCCH)	C[3](Si[3]Si[3]SiC)(Si[3]Si[3]CC)(SiC3)2	Si[3](C[3]Si[3]Si2)(Si[3]C[3]CC)(SiLiSiH)(CH3)	56.1047	0.000	1	56.1047	0.000	1	56.1047	0.000	1	54.7605	3.614	2	54.7605	3.614	2	53.9704	1.172	6
872	486	872	3:SP3_SP3_SP3	Si[3]	C[3]	Si[3]	4:4:4:4:	4:4:4:4:	4:4:4:4:	C[3]-4:Si[3]-4:Si-4:C-4:	Si[3]-4:Si[3]-4:Si-4:Si-4:	C[3]-4:Si[3]-4:C-4:C-4:	Si[3](C[3]Si[3]Si2)(Si[3]C[3]CC)(SiLiSiH)(CH3)	C[3](Si[3]Si[3]SiC)(Si[3]Si[3]CC)(SiC3)2	Si[3](C[3]Si[3]Si2)(Si[3]C[3]SiC)(CSi2H)(CCCH)	Si[3](C[3]Si[3]Si2)(Si[3]C[3]CC)(SiLiSiH)(CH3)	C[3](Si[3]Si[3]SiC)(Si[3]Si[3]CC)(SiC3)2	Si[3](C[3]Si[3]Si2)(Si[3]C[3]SiC)(CSi2H)(CCCH)	53.4163	0.000	1	53.4163	0.000	1	53.4163	0.000	1	54.7605	3.614	2	54.7605	3.614	2	53.9704	1.172	6
872	486	880	0:SP3_SP3_SP3	Si[3,3]	C[3]	Si	4:4:4:4:	4:4:1:1:	4:4:4:4:	Si[3,3]-4:Si[3]-4:C[3]-4:Si-4:	Si[3,3]-4:Si[3,3]-4:H-1:H-1:	Si[3,3]-4:C-4:C-4:C-4:	Si[3,3](Si[3,3]Si[3]C[3]Si)(Si[3]Si[3,3]Si2)(C[3]Si[3,3]HH)(SiC3)	C[3](Si[3,3]Si[3,3]Si[3]Si)2(H)2	Si(Si[3,3]Si[3,3]Si[3]C[3])(CC3)2(CH3)	Si[3,3](Si[3,3]Si[3]C[3]Si)(Si[3]Si[3,3]Si2)(C[3]Si[3,3]HH)(SiC3)	C[3](Si[3,3]Si[3,3]Si[3]Si)2(H)2{2|Si<4>}	Si(Si[3,3]Si[3,3]Si[3]C[3])(CC3)2(CH3)	118.6275	1.125	4	118.6275	1.266	4	118.6275	1.266	4	118.6275	1.266	4	118.6275	1.266	4	114.6756	12.887	11
872	486	880	0:SP3_SP3_SP3	Si[3]	C[3]	Si	4:4:3:4:	4:4:1:1:	4:4:4:4:	C[3]-4:C[3]-4:N-3:Si-4:	Si[3]-4:C[3]-4:H-1:H-1:	Si[3]-4:Si-4:Si-4:Si-4:	Si[3](C[3]C[3]HH)2(NC[6a]Si)(SiSi3)	C[3](Si[3]C[3]SiN)(C[3]Si[3]HH)(H)2	Si(Si[3]C[3]2N)(SiC3)3	Si[3](C[3]C[3]HH)2(NC[6a]Si)(SiSi3)	C[3](Si[3]C[3]SiN)(C[3]Si[3]HH)(H)2	Si(Si[3]C[3]2N)(SiC3)3	112.1120	1.438	2	112.1120	2.069	2	112.1120	2.069	2	112.1120	2.069	2	112.4174	4.484	7	114.6756	12.887	11
872	486	880	0:SP3_SP3_SP3	Si[3]	C[3]	Si	4:4:4:4:	4:4:1:1:	4:4:4:4:	C[3]-4:C[3]-4:C[5]-4:Si-4:	Si[3]-4:C[3]-4:H-1:H-1:	Si[3]-4:Si-4:Si-4:Si-4:	Si[3](C[3]C[3]HH)2(C[5]C[5]2C)(SiSi3)	C[3](Si[3]C[3]C[5]Si)(C[3]Si[3]HH)(H)2	Si(Si[3]C[3]2C[5])(SiC3)3	Si[3](C[3]C[3]HH)2(C[5]C[5]2C)(SiSi3){2|C<3>,2|C<4>}	C[3](Si[3]C[3]C[5]Si)(C[3]Si[3]HH)(H)2{1|C<4>,2|C<3>}	Si(Si[3]C[3]2C[5])(SiC3)3	114.9740	0.000	1	114.9740	0.000	1	114.9740	0.000	1	112.5396	6.144	5	112.4174	4.484	7	114.6756	12.887	11
872	486	880	0:SP3_SP3_SP3	Si[3]	C[3]	Si	4:4:4:4:	4:4:1:1:	4:4:4:4:	C[3]-4:C[3]-4:Si-4:Si-4:	Si[3]-4:C[3]-4:H-1:H-1:	Si[3]-4:C-4:C-4:C-4:	Si[3](C[3]C[3]HH)2(SiSi3)(SiC3)	C[3](Si[3]C[3]Si2)(C[3]Si[3]HH)(H)2	Si(Si[3]C[3]2Si)(CC3)3	Si[3](C[3]C[3]HH)2(SiSi3)(SiC3)	C[3](Si[3]C[3]Si2)(C[3]Si[3]HH)(H)2	Si(Si[3]C[3]2Si)(CC3)3	113.5935	0.991	2	113.5935	0.981	2	113.5935	0.981	2	112.5396	6.144	5	112.4174	4.484	7	114.6756	12.887	11
872	486	880	0:SP3_SP3_SP3	Si[3]	C[3]	Si	4:4:4:4:	4:4:1:1:	4:4:4:4:	C[3]-4:C[3]-4:Si-4:Si-4:	Si[3]-4:C[3]-4:H-1:H-1:	Si[3]-4:Si-4:Si-4:Si-4:	Si[3](C[3]C[3]HH)2(SiSi3)(SiC3)	C[3](Si[3]C[3]Si2)(C[3]Si[3]HH)(H)2	Si(Si[3]C[3]2Si)(SiC3)3	Si[3](C[3]C[3]HH)2(SiSi3)(SiC3)	C[3](Si[3]C[3]Si2)(C[3]Si[3]HH)(H)2	Si(Si[3]C[3]2Si)(SiC3)3	110.2685	2.265	2	110.2685	5.130	2	110.2685	5.130	2	112.5396	6.144	5	112.4174	4.484	7	114.6756	12.887	11
872	486	941	0:SP3_SP2_SP3	Si[3]	C[3]	N	4:3:3:2:	4:3:3:3:	4:3:	C[3]-4:N[3]-3:C[5]-3:N-2:	Si[3]-4:C[6a]-3:C[6a]-3:N[3]-3:	Si[3]-4:C[6a]-3:	Si[3](C[3]C[6a]2N[3])(N[3]C[3]Si)(C[5]N[5]2)(NC[6a])	C[3](Si[3]C[5]N[3]N)(C[6a]C[6a]2)2(N[3]Si[3]Si)	N(Si[3]C[3]C[5]N[3])(C[6a]C[6a]2)	Si[3](C[3]C[6a]2N[3])(N[3]C[3]Si)(C[5]N[5]2)(NC[6a]){2|C<4>,6|C<3>}	C[3](Si[3]C[5]N[3]N)(C[6a]C[6a]2)2(N[3]Si[3]Si){2|N<3>,4|C<3>,4|H<1>}	N(Si[3]C[3]C[5]N[3])(C[6a]C[6a]2)	138.5250	0.000	1	138.5250	0.000	1	138.5250	0.000	1	138.5250	0.000	1	138.5250	0.000	1	138.5250	0.000	1
872	486	956	0:SP3_SP2_SP3	Si[3,4,6]	C[3,4,5]	N	4:4:4:3:	4:4:4:4:	4:4:4:	C[3,4,5]-4:C[3,5,6]-4:Si[4,6]-4:N-3:	Si[3,4,6]-4:C[3,5,6]-4:C[4,5,6]-4:C-4:	Si[3,4,6]-4:Si-4:Si-4:	Si[3,4,6](C[3,4,5]C[3,5,6]C[4,5,6]C)(C[3,5,6]C[3,4,5]C[5,6]C)(Si[4,6]C[4,5,6]ClN)(NSi2)	C[3,4,5](Si[3,4,6]C[3,5,6]Si[4,6]N)(C[3,5,6]Si[3,4,6]C[5,6]C)(C[4,5,6]Si[4,6]C[5,6]C)(CH3)	N(Si[3,4,6]C[3,4,5]C[3,5,6]Si[4,6])(SiC3)2	Si[3,4,6](C[3,4,5]C[3,5,6]C[4,5,6]C)(C[3,5,6]C[3,4,5]C[5,6]C)(Si[4,6]C[4,5,6]ClN)(NSi2){1|C<3>,2|C<4>}	C[3,4,5](Si[3,4,6]C[3,5,6]Si[4,6]N)(C[3,5,6]Si[3,4,6]C[5,6]C)(C[4,5,6]Si[4,6]C[5,6]C)(CH3){1|Cl<1>,1|N<3>,2|C<4>}	N(Si[3,4,6]C[3,4,5]C[3,5,6]Si[4,6])(SiC3)2	132.4570	0.000	1	132.4570	0.000	1	132.4570	0.000	1	132.4570	0.000	1	132.4570	0.000	1	121.8467	39.534	6
872	486	956	0:SP3_SP2_SP3	Si[3,4,6]	C[3,5,6]	N	4:4:4:3:	4:4:3:4:	4:4:4:	C[3,4,5]-4:C[3,5,6]-4:Si[4,6]-4:N-3:	C[3,4,5]-4:Si[3,4,6]-4:C[5,6]-3:C-4:	Si[3,4,6]-4:Si-4:Si-4:	Si[3,4,6](C[3,4,5]C[3,5,6]C[4,5,6]C)(C[3,5,6]C[3,4,5]C[5,6]C)(Si[4,6]C[4,5,6]ClN)(NSi2)	C[3,5,6](C[3,4,5]Si[3,4,6]C[4,5,6]C)(Si[3,4,6]C[3,4,5]Si[4,6]N)(C[5,6]C[5,6]C)(CH3)	N(Si[3,4,6]C[3,4,5]C[3,5,6]Si[4,6])(SiC3)2	Si[3,4,6](C[3,4,5]C[3,5,6]C[4,5,6]C)(C[3,5,6]C[3,4,5]C[5,6]C)(Si[4,6]C[4,5,6]ClN)(NSi2){1|C<3>,2|C<4>}	C[3,5,6](C[3,4,5]Si[3,4,6]C[4,5,6]C)(Si[3,4,6]C[3,4,5]Si[4,6]N)(C[5,6]C[5,6]C)(CH3){1|Cl<1>,1|N<3>,2|C<4>}	N(Si[3,4,6]C[3,4,5]C[3,5,6]Si[4,6])(SiC3)2	123.5450	0.000	1	123.5450	0.000	1	123.5450	0.000	1	123.5450	0.000	1	123.5450	0.000	1	121.8467	39.534	6
872	486	956	0:SP3_SP2_SP3	Si[3]	C[3]	N	4:4:3:4:	4:4:1:1:	4:3:4:	C[3]-4:C[3]-4:N-3:C-4:	C[3]-4:Si[3]-4:H-1:H-1:	Si[3]-4:C[6a]-3:Si-4:	Si[3](C[3]C[3]HH)2(NC[6a]Si)(CCHH)	C[3](C[3]Si[3]HH)(Si[3]C[3]CN)(H)2	N(Si[3]C[3]2C)(C[6a]C[6a]2)(SiC3)	Si[3](C[3]C[3]HH)2(NC[6a]Si)(CCHH)	C[3](C[3]Si[3]HH)(Si[3]C[3]CN)(H)2	N(Si[3]C[3]2C)(C[6a]C[6a]2)(SiC3)	121.9665	1.152	2	121.9665	1.327	2	121.9665	1.327	2	118.7695	14.777	4	118.7695	14.777	4	121.8467	39.534	6
872	486	956	0:SP3_SP2_SP3	Si[3]	C[3]	N	4:4:3:4:	4:4:1:1:	4:3:4:	C[3]-4:C[3]-4:N-3:Si-4:	Si[3]-4:C[3]-4:H-1:H-1:	Si[3]-4:C[6a]-3:Si-4:	Si[3](C[3]C[3]HH)2(NC[6a]Si)(SiSi3)	C[3](Si[3]C[3]SiN)(C[3]Si[3]HH)(H)2	N(Si[3]C[3]2Si)(C[6a]C[6a]2)(SiC3)	Si[3](C[3]C[3]HH)2(NC[6a]Si)(SiSi3)	C[3](Si[3]C[3]SiN)(C[3]Si[3]HH)(H)2	N(Si[3]C[3]2Si)(C[6a]C[6a]2)(SiC3)	115.5725	1.456	2	115.5725	2.120	2	115.5725	2.120	2	118.7695	14.777	4	118.7695	14.777	4	121.8467	39.534	6
872	486	962	3:SP3_SP3_SP3	Si[3,5]	C[3,6,6]	O[3]	4:2:4:4:	4:4:4:2:	4:4:	C[3,6,6]-4:O[3]-2:C[5]-4:C[5]-4:	Si[3,5]-4:C[3x6]-4:C[3x6]-4:O[3]-2:	C[3,6,6]-4:Si[3,5]-4:	Si[3,5](C[3,6,6]C[3x6]2O[3])(O[3]C[3,6,6])(C[5]C[5]Si2)2	C[3,6,6](Si[3,5]C[5]2O[3])(C[3x6]C[6,6]2H)2(O[3]Si[3,5])	O[3](C[3,6,6]Si[3,5]C[3x6]2)(Si[3,5]C[3,6,6]C[5]2)	Si[3,5](C[3,6,6]C[3x6]2O[3])(O[3]C[3,6,6])(C[5]C[5]Si2)2{4|C<4>,6|H<1>}	C[3,6,6](Si[3,5]C[5]2O[3])(C[3x6]C[6,6]2H)2(O[3]Si[3,5]){4|Si<4>,4|C<4>,8|H<1>}	O[3](C[3,6,6]Si[3,5]C[3x6]2)(Si[3,5]C[3,6,6]C[5]2){4|Si<4>,2|H<1>,6|C<4>}	51.0285	0.000	1	51.0285	0.000	1	51.0285	0.000	1	51.0285	0.000	1	51.0285	0.000	1	51.0285	0.000	1
872	486	996	4:SP3_SP3_SP3	Si[3,4,6]	C[3,4,5]	Si[4,6]	4:4:4:3:	4:4:4:4:	4:4:3:1:	C[3,4,5]-4:C[3,5,6]-4:Si[4,6]-4:N-3:	Si[3,4,6]-4:C[3,5,6]-4:C[4,5,6]-4:C-4:	Si[3,4,6]-4:C[4,5,6]-4:N-3:Cl-1:	Si[3,4,6](C[3,4,5]C[3,5,6]C[4,5,6]C)(C[3,5,6]C[3,4,5]C[5,6]C)(Si[4,6]C[4,5,6]ClN)(NSi2)	C[3,4,5](Si[3,4,6]C[3,5,6]Si[4,6]N)(C[3,5,6]Si[3,4,6]C[5,6]C)(C[4,5,6]Si[4,6]C[5,6]C)(CH3)	Si[4,6](Si[3,4,6]C[3,4,5]C[3,5,6]N)(C[4,5,6]C[3,4,5]C[5,6]C)(NSi2)(Cl)	Si[3,4,6](C[3,4,5]C[3,5,6]C[4,5,6]C)(C[3,5,6]C[3,4,5]C[5,6]C)(Si[4,6]C[4,5,6]ClN)(NSi2){1|C<3>,2|C<4>}	C[3,4,5](Si[3,4,6]C[3,5,6]Si[4,6]N)(C[3,5,6]Si[3,4,6]C[5,6]C)(C[4,5,6]Si[4,6]C[5,6]C)(CH3){1|Cl<1>,1|N<3>,2|C<4>}	Si[4,6](Si[3,4,6]C[3,4,5]C[3,5,6]N)(C[4,5,6]C[3,4,5]C[5,6]C)(NSi2)(Cl){1|C<3>,3|C<4>}	76.5208	0.000	1	76.5208	0.000	1	76.5208	0.000	1	76.5208	0.000	1	76.5208	0.000	1	76.5208	0.000	1
872	486	996	6:SP3_SP3_SP3	Si[3,4,6]	C[3,5,6]	Si[4,6]	4:4:4:3:	4:4:3:4:	4:4:3:1:	C[3,4,5]-4:C[3,5,6]-4:Si[4,6]-4:N-3:	C[3,4,5]-4:Si[3,4,6]-4:C[5,6]-3:C-4:	Si[3,4,6]-4:C[4,5,6]-4:N-3:Cl-1:	Si[3,4,6](C[3,4,5]C[3,5,6]C[4,5,6]C)(C[3,5,6]C[3,4,5]C[5,6]C)(Si[4,6]C[4,5,6]ClN)(NSi2)	C[3,5,6](C[3,4,5]Si[3,4,6]C[4,5,6]C)(Si[3,4,6]C[3,4,5]Si[4,6]N)(C[5,6]C[5,6]C)(CH3)	Si[4,6](Si[3,4,6]C[3,4,5]C[3,5,6]N)(C[4,5,6]C[3,4,5]C[5,6]C)(NSi2)(Cl)	Si[3,4,6](C[3,4,5]C[3,5,6]C[4,5,6]C)(C[3,5,6]C[3,4,5]C[5,6]C)(Si[4,6]C[4,5,6]ClN)(NSi2){1|C<3>,2|C<4>}	C[3,5,6](C[3,4,5]Si[3,4,6]C[4,5,6]C)(Si[3,4,6]C[3,4,5]Si[4,6]N)(C[5,6]C[5,6]C)(CH3){1|Cl<1>,1|N<3>,2|C<4>}	Si[4,6](Si[3,4,6]C[3,4,5]C[3,5,6]N)(C[4,5,6]C[3,4,5]C[5,6]C)(NSi2)(Cl){1|C<3>,3|C<4>}	100.7380	0.000	1	100.7380	0.000	1	100.7380	0.000	1	100.7380	0.000	1	100.7380	0.000	1	100.7380	0.000	1
872	490	490	0:SP3_SP3_SP3	Si[3]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Si[3]-4:Si[3]-4:C-4:C-4:	Si[3]-4:H-1:H-1:H-1:	Si[3]-4:H-1:H-1:H-1:	Si[3](Si[3]C[6a]Si[3]Cl)(Si[3]C[6a]2Si[3])(CH3)2	C(Si[3]Si[3]2C)(H)3	C(Si[3]Si[3]2C)(H)3	Si[3](Si[3]C[6a]Si[3]Cl)(Si[3]C[6a]2Si[3])(CH3)2{6|C<3>}	C(Si[3]Si[3]2C)(H)3	C(Si[3]Si[3]2C)(H)3	110.6225	0.172	2	110.6225	0.030	2	110.6225	0.030	2	110.6225	0.030	2	112.8400	12.512	4	112.8400	12.512	4
872	490	490	0:SP3_SP3_SP3	Si[3]	C	C	4:4:4:4:	4:4:4:1:	4:4:4:1:	C[3]-4:Si[3]-4:C-4:C-4:	Si[3]-4:Si-4:Si-4:H-1:	Si[3]-4:C-4:C-4:H-1:	Si[3](C[3]Si[3]Si2)(Si[3]C[3]SiC)(CSi2H)(CCCH)	C(Si[3]Si[3]C[3]C)(SiC3)2(H)	C(Si[3]Si[3]C[3]C)(CH3)2(H)	Si[3](C[3]Si[3]Si2)(Si[3]C[3]SiC)(CSi2H)(CCCH)	C(Si[3]Si[3]C[3]C)(SiC3)2(H)	C(Si[3]Si[3]C[3]C)(CH3)2(H)	112.0710	0.000	1	112.0710	0.000	1	112.0710	0.000	1	112.0710	0.000	1	112.8400	12.512	4	112.8400	12.512	4
872	490	490	0:SP3_SP3_SP3	Si[3]	C	C	4:4:4:4:	4:4:4:4:	4:4:4:4:	C[3]-4:C[3]-4:C-4:C-4:	Si[3]-4:C-4:C-4:C-4:	Si[3]-4:C-4:C-4:C-4:	Si[3](C[3]C[3]SiH)(C[3]C[3]HH)(CC3)2	C(Si[3]C[3]2C)(CH3)3	C(Si[3]C[3]2C)(CH3)3	Si[3](C[3]C[3]SiH)(C[3]C[3]HH)(CC3)2	C(Si[3]C[3]2C)(CH3)3	C(Si[3]C[3]2C)(CH3)3	118.0440	0.000	1	118.0440	0.000	1	118.0440	0.000	1	118.0440	0.000	1	112.8400	12.512	4	112.8400	12.512	4
872	490	598	0:SP3_SP2_SP3	Si[3,4,5,5]	C	Si[4,4,5,5]	4:4:3:4:	4:4:4:4:	4:4:4:	Si[3,4,5,5]-4:Si[3,4,4]-4:Si[4,4,5,5]-3:C-4:	Si[3,4,5,5]-4:C-4:C-4:C-4:	Si[3,4,5,5]-4:Si[3x4,5]-4:Si[4,5,5]-4:	Si[3,4,5,5](Si[3,4,5,5]Si[4,4,5,5]Si[3,4,4]C)(Si[3,4,4]Si[3,4,5,5]Si[3x4,5]C)(Si[4,4,5,5]Si[3x4,5]Si[4,5,5])(CC3)	C(Si[3,4,5,5]Si[3,4,5,5]Si[4,4,5,5]Si[3,4,4])(CH3)3	Si[4,4,5,5](Si[3,4,5,5]Si[3,4,5,5]Si[3,4,4]C)(Si[3x4,5]Si[4,4,5,5]Si[3,4,4]C)(Si[4,5,5]Si[4,4,5,5]C[5]2)	Si[3,4,5,5](Si[3,4,5,5]Si[4,4,5,5]Si[3,4,4]C)(Si[3,4,4]Si[3,4,5,5]Si[3x4,5]C)(Si[4,4,5,5]Si[3x4,5]Si[4,5,5])(CC3){3|C<4>}	C(Si[3,4,5,5]Si[3,4,5,5]Si[4,4,5,5]Si[3,4,4])(CH3)3	Si[4,4,5,5](Si[3,4,5,5]Si[3,4,5,5]Si[3,4,4]C)(Si[3x4,5]Si[4,4,5,5]Si[3,4,4]C)(Si[4,5,5]Si[4,4,5,5]C[5]2){4|Si<4>,4|C<4>}	123.6215	0.383	2	123.6215	0.146	2	123.6215	0.146	2	123.6215	0.146	2	123.6215	0.146	2	123.6215	0.146	2
872	490	643	0:SP3_SP2_SP3	Si[3]	C	C[6a]	3:4:3:4:	4:4:4:4:	3:4:3:	C[6a]-3:Si[3,5]-4:C[3]-3:C-4:	Si[3]-4:C-4:C-4:C-4:	C[6a,6a]-3:Si[3]-4:C[6a]-3:	Si[3](C[6a]C[6a,6a]C[6a])(Si[3,5]C[3]C[5]2)(C[3]Si[3,5]N)(CC3)	C(Si[3]Si[3,5]C[6a]C[3])(CH3)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(Si[3]Si[3,5]C[3]C)(C[6a]C[6a]H)	Si[3](C[6a]C[6a,6a]C[6a])(Si[3,5]C[3]C[5]2)(C[3]Si[3,5]N)(CC3){4|Si<4>,1|H<1>,2|C<4>,3|C<3>}	C(Si[3]Si[3,5]C[6a]C[3])(CH3)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(Si[3]Si[3,5]C[3]C)(C[6a]C[6a]H){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	107.5240	0.996	2	107.5240	0.991	2	107.5240	0.991	2	107.5240	0.991	2	106.2695	2.561	4	106.2695	2.561	4
872	490	643	0:SP3_SP2_SP3	Si[3]	C	C[6a]	4:3:3:4:	4:4:4:4:	3:3:4:	Si[3,5]-4:C[6a]-3:C[3]-3:C-4:	Si[3]-4:C-4:C-4:C-4:	C[6a,6a]-3:C[6a,6a]-3:Si[3]-4:	Si[3](Si[3,5]C[3]C[5]2)(C[6a]C[6a,6a]2)(C[3]Si[3,5]N)(CC3)	C(Si[3]Si[3,5]C[6a]C[3])(CH3)3	C[6a](C[6a,6a]C[6a,6a]C[6a])2(Si[3]Si[3,5]C[3]C)	Si[3](Si[3,5]C[3]C[5]2)(C[6a]C[6a,6a]2)(C[3]Si[3,5]N)(CC3){4|Si<4>,2|C<4>,4|C<3>}	C(Si[3]Si[3,5]C[6a]C[3])(CH3)3	C[6a](C[6a,6a]C[6a,6a]C[6a])2(Si[3]Si[3,5]C[3]C){1|N<2>,2|C<4>,2|H<1>,5|C<3>}	105.0150	0.631	2	105.0150	0.398	2	105.0150	0.398	2	105.0150	0.398	2	106.2695	2.561	4	106.2695	2.561	4
872	490	872	0:SP3_SP3_SP3	Si[3,4,4]	C	Si[3,4,5,5]	4:4:4:4:	4:4:4:4:	4:4:3:4:	Si[3,4,5,5]-4:Si[3,4,5,5]-4:Si[3x4,5]-4:C-4:	Si[3,4,4]-4:C-4:C-4:C-4:	Si[3,4,5,5]-4:Si[3,4,4]-4:Si[4,4,5,5]-3:C-4:	Si[3,4,4](Si[3,4,5,5]Si[3,4,5,5]Si[4,4,5,5]C)2(Si[3x4,5]Si[4,4,5,5]2C)(CC3)	C(Si[3,4,4]Si[3,4,5,5]2Si[3x4,5])(CH3)3	Si[3,4,5,5](Si[3,4,5,5]Si[4,4,5,5]Si[3,4,4]C)(Si[3,4,4]Si[3,4,5,5]Si[3x4,5]C)(Si[4,4,5,5]Si[3x4,5]Si[4,5,5])(CC3)	Si[3,4,4](Si[3,4,5,5]Si[3,4,5,5]Si[4,4,5,5]C)2(Si[3x4,5]Si[4,4,5,5]2C)(CC3){1|Si<4>}	C(Si[3,4,4]Si[3,4,5,5]2Si[3x4,5])(CH3)3	Si[3,4,5,5](Si[3,4,5,5]Si[4,4,5,5]Si[3,4,4]C)(Si[3,4,4]Si[3,4,5,5]Si[3x4,5]C)(Si[4,4,5,5]Si[3x4,5]Si[4,5,5])(CC3){3|C<4>}	131.0190	0.341	2	131.0190	0.116	2	131.0190	0.116	2	131.0190	0.116	2	131.0190	0.116	2	124.4508	76.548	21
872	490	872	0:SP3_SP3_SP3	Si[3,4,5,5]	C	Si[3,4,4]	4:4:3:4:	4:4:4:4:	4:4:4:4:	Si[3,4,5,5]-4:Si[3,4,4]-4:Si[4,4,5,5]-3:C-4:	Si[3,4,5,5]-4:C-4:C-4:C-4:	Si[3,4,5,5]-4:Si[3,4,5,5]-4:Si[3x4,5]-4:C-4:	Si[3,4,5,5](Si[3,4,5,5]Si[4,4,5,5]Si[3,4,4]C)(Si[3,4,4]Si[3,4,5,5]Si[3x4,5]C)(Si[4,4,5,5]Si[3x4,5]Si[4,5,5])(CC3)	C(Si[3,4,5,5]Si[3,4,5,5]Si[4,4,5,5]Si[3,4,4])(CH3)3	Si[3,4,4](Si[3,4,5,5]Si[3,4,5,5]Si[4,4,5,5]C)2(Si[3x4,5]Si[4,4,5,5]2C)(CC3)	Si[3,4,5,5](Si[3,4,5,5]Si[4,4,5,5]Si[3,4,4]C)(Si[3,4,4]Si[3,4,5,5]Si[3x4,5]C)(Si[4,4,5,5]Si[3x4,5]Si[4,5,5])(CC3){3|C<4>}	C(Si[3,4,5,5]Si[3,4,5,5]Si[4,4,5,5]Si[3,4,4])(CH3)3	Si[3,4,4](Si[3,4,5,5]Si[3,4,5,5]Si[4,4,5,5]C)2(Si[3x4,5]Si[4,4,5,5]2C)(CC3){1|Si<4>}	124.6320	0.133	2	124.6320	0.018	2	124.6320	0.018	2	124.6320	0.018	2	124.6320	0.018	2	124.4508	76.548	21
872	490	872	0:SP3_SP3_SP3	Si[3,4,5,5]	C	Si[3,4,5,5]	4:4:3:4:	4:4:4:4:	4:4:3:4:	Si[3,4,5,5]-4:Si[3,4,4]-4:Si[4,4,5,5]-3:C-4:	Si[3,4,5,5]-4:C-4:C-4:C-4:	Si[3,4,5,5]-4:Si[3,4,4]-4:Si[4,4,5,5]-3:C-4:	Si[3,4,5,5](Si[3,4,5,5]Si[4,4,5,5]Si[3,4,4]C)(Si[3,4,4]Si[3,4,5,5]Si[3x4,5]C)(Si[4,4,5,5]Si[3x4,5]Si[4,5,5])(CC3)	C(Si[3,4,5,5]Si[3,4,5,5]Si[4,4,5,5]Si[3,4,4])(CH3)3	Si[3,4,5,5](Si[3,4,5,5]Si[4,4,5,5]Si[3,4,4]C)(Si[3,4,4]Si[3,4,5,5]Si[3x4,5]C)(Si[4,4,5,5]Si[3x4,5]Si[4,5,5])(CC3)	Si[3,4,5,5](Si[3,4,5,5]Si[4,4,5,5]Si[3,4,4]C)(Si[3,4,4]Si[3,4,5,5]Si[3x4,5]C)(Si[4,4,5,5]Si[3x4,5]Si[4,5,5])(CC3){3|C<4>}	C(Si[3,4,5,5]Si[3,4,5,5]Si[4,4,5,5]Si[3,4,4])(CH3)3	Si[3,4,5,5](Si[3,4,5,5]Si[4,4,5,5]Si[3,4,4]C)(Si[3,4,4]Si[3,4,5,5]Si[3x4,5]C)(Si[4,4,5,5]Si[3x4,5]Si[4,5,5])(CC3){3|C<4>}	140.2740	1.341	2	140.2740	1.797	2	140.2740	1.797	2	140.2740	1.797	2	140.2740	1.797	2	124.4508	76.548	21
872	490	872	0:SP3_SP3_SP3	Si[3]	C	Si[3,5]	3:4:3:4:	4:4:4:4:	4:4:4:3:	C[6a]-3:Si[3,5]-4:C[3]-3:C-4:	Si[3]-4:C-4:C-4:C-4:	Si[3]-4:C[5]-4:C[5]-4:C[3]-3:	Si[3](C[6a]C[6a,6a]C[6a])(Si[3,5]C[3]C[5]2)(C[3]Si[3,5]N)(CC3)	C(Si[3]Si[3,5]C[6a]C[3])(CH3)3	Si[3,5](Si[3]C[6a]C[3]C)(C[5]C[5]Si2)2(C[3]Si[3]N)	Si[3](C[6a]C[6a,6a]C[6a])(Si[3,5]C[3]C[5]2)(C[3]Si[3,5]N)(CC3){4|Si<4>,1|H<1>,2|C<4>,3|C<3>}	C(Si[3]Si[3,5]C[6a]C[3])(CH3)3	Si[3,5](Si[3]C[6a]C[3]C)(C[5]C[5]Si2)2(C[3]Si[3]N){2|C<3>,4|H<1>}	130.6910	1.846	2	130.6910	3.406	2	130.6910	3.406	2	130.6910	3.406	2	129.0785	6.719	4	124.4508	76.548	21
872	490	872	0:SP3_SP3_SP3	Si[3]	C	Si[3,5]	4:3:3:4:	4:4:4:4:	4:4:4:3:	Si[3,5]-4:C[6a]-3:C[3]-3:C-4:	Si[3]-4:C-4:C-4:C-4:	Si[3]-4:C[5]-4:C[5]-4:C[3]-3:	Si[3](Si[3,5]C[3]C[5]2)(C[6a]C[6a,6a]2)(C[3]Si[3,5]N)(CC3)	C(Si[3]Si[3,5]C[6a]C[3])(CH3)3	Si[3,5](Si[3]C[6a]C[3]C)(C[5]C[5]Si2)2(C[3]Si[3]N)	Si[3](Si[3,5]C[3]C[5]2)(C[6a]C[6a,6a]2)(C[3]Si[3,5]N)(CC3){4|Si<4>,2|C<4>,4|C<3>}	C(Si[3]Si[3,5]C[6a]C[3])(CH3)3	Si[3,5](Si[3]C[6a]C[3]C)(C[5]C[5]Si2)2(C[3]Si[3]N){2|C<3>,4|H<1>}	127.4660	2.520	2	127.4660	6.351	2	127.4660	6.351	2	127.4660	6.351	2	129.0785	6.719	4	124.4508	76.548	21
872	490	872	0:SP3_SP3_SP3	Si[3]	C	Si[3]	4:4:4:4:	4:1:1:1:	4:4:3:1:	Si[3]-4:Si[3]-4:C-4:C-4:	Si[3]-4:H-1:H-1:H-1:	Si[3]-4:Si[3]-4:C[6a]-3:Cl-1:	Si[3](Si[3]C[6a]Si[3]Cl)(Si[3]C[6a]2Si[3])(CH3)2	C(Si[3]Si[3]2C)(H)3	Si[3](Si[3]C[6a]2Si[3])(Si[3]Si[3]CC)(C[6a]C[6a]2)(Cl)	Si[3](Si[3]C[6a]Si[3]Cl)(Si[3]C[6a]2Si[3])(CH3)2{6|C<3>}	C(Si[3]Si[3]2C)(H)3	Si[3](Si[3]C[6a]2Si[3])(Si[3]Si[3]CC)(C[6a]C[6a]2)(Cl){2|C<4>,6|C<3>}	119.0520	1.915	4	119.0520	3.667	4	119.0520	3.667	4	119.0520	3.667	4	118.6639	46.775	11	124.4508	76.548	21
872	490	872	0:SP3_SP3_SP3	Si[3]	C	Si[3]	4:4:4:4:	4:1:1:1:	4:4:3:3:	Si[3]-4:Si[3]-4:C-4:C-4:	Si[3]-4:H-1:H-1:H-1:	Si[3]-4:Si[3]-4:C[6a]-3:C[6a]-3:	Si[3](Si[3]C[6a]Si[3]Cl)(Si[3]C[6a]2Si[3])(CH3)2	C(Si[3]Si[3]2C)(H)3	Si[3](Si[3]C[6a]Si[3]Cl)(Si[3]Si[3]CC)(C[6a]C[6a]2)2	Si[3](Si[3]C[6a]Si[3]Cl)(Si[3]C[6a]2Si[3])(CH3)2{6|C<3>}	C(Si[3]Si[3]2C)(H)3	Si[3](Si[3]C[6a]Si[3]Cl)(Si[3]Si[3]CC)(C[6a]C[6a]2)2{4|C<4>,6|C<3>}	120.0452	10.235	4	120.0452	104.759	4	120.0452	104.759	4	120.0452	104.759	4	118.6639	46.775	11	124.4508	76.548	21
872	490	872	0:SP3_SP3_SP3	Si[3]	C	Si[3]	4:4:4:4:	4:1:1:1:	4:4:4:4:	C[3]-4:Si[3]-4:Si-4:C-4:	Si[3]-4:H-1:H-1:H-1:	C[3]-4:Si[3]-4:C-4:C-4:	Si[3](C[3]Si[3]Si2)(Si[3]C[3]CC)(SiLiSiH)(CH3)	C(Si[3]Si[3]C[3]Si)(H)3	Si[3](C[3]Si[3]Si2)(Si[3]C[3]SiC)(CSi2H)(CCCH)	Si[3](C[3]Si[3]Si2)(Si[3]C[3]CC)(SiLiSiH)(CH3)	C(Si[3]Si[3]C[3]Si)(H)3	Si[3](C[3]Si[3]Si2)(Si[3]C[3]SiC)(CSi2H)(CCCH)	107.4960	0.000	1	107.4960	0.000	1	107.4960	0.000	1	107.4960	0.000	1	118.6639	46.775	11	124.4508	76.548	21
872	490	872	0:SP3_SP3_SP3	Si[3]	C	Si[3]	4:4:4:4:	4:4:4:1:	4:4:4:4:	C[3]-4:Si[3]-4:C-4:C-4:	Si[3]-4:C-4:C-4:H-1:	C[3]-4:Si[3]-4:Si-4:C-4:	Si[3](C[3]Si[3]Si2)(Si[3]C[3]SiC)(CSi2H)(CCCH)	C(Si[3]Si[3]C[3]C)(CH3)2(H)	Si[3](C[3]Si[3]Si2)(Si[3]C[3]CC)(SiLiSiH)(CH3)	Si[3](C[3]Si[3]Si2)(Si[3]C[3]SiC)(CSi2H)(CCCH)	C(Si[3]Si[3]C[3]C)(CH3)2(H)	Si[3](C[3]Si[3]Si2)(Si[3]C[3]CC)(SiLiSiH)(CH3)	121.4680	0.000	1	121.4680	0.000	1	121.4680	0.000	1	120.7090	1.152	2	118.6639	46.775	11	124.4508	76.548	21
872	490	872	0:SP3_SP3_SP3	Si[3]	C	Si[3]	4:4:4:4:	4:4:4:1:	4:4:4:4:	C[3]-4:Si[3]-4:C-4:C-4:	Si[3]-4:Si-4:Si-4:H-1:	C[3]-4:Si[3]-4:Si-4:C-4:	Si[3](C[3]Si[3]Si2)(Si[3]C[3]SiC)(CSi2H)(CCCH)	C(Si[3]Si[3]C[3]C)(SiC3)2(H)	Si[3](C[3]Si[3]Si2)(Si[3]C[3]CC)(SiLiSiH)(CH3)	Si[3](C[3]Si[3]Si2)(Si[3]C[3]SiC)(CSi2H)(CCCH)	C(Si[3]Si[3]C[3]C)(SiC3)2(H)	Si[3](C[3]Si[3]Si2)(Si[3]C[3]CC)(SiLiSiH)(CH3)	119.9500	0.000	1	119.9500	0.000	1	119.9500	0.000	1	120.7090	1.152	2	118.6639	46.775	11	124.4508	76.548	21
872	490	902	0:SP3_SP2_SP3	Si[3]	C	C[3]	3:4:3:4:	4:4:4:4:	4:4:2:	C[6a]-3:Si[3,5]-4:C[3]-3:C-4:	Si[3]-4:C-4:C-4:C-4:	Si[3]-4:Si[3,5]-4:N-2:	Si[3](C[6a]C[6a,6a]C[6a])(Si[3,5]C[3]C[5]2)(C[3]Si[3,5]N)(CC3)	C(Si[3]Si[3,5]C[6a]C[3])(CH3)3	C[3](Si[3]Si[3,5]C[6a]C)(Si[3,5]Si[3]C[5]2)(NC[6a])	Si[3](C[6a]C[6a,6a]C[6a])(Si[3,5]C[3]C[5]2)(C[3]Si[3,5]N)(CC3){4|Si<4>,1|H<1>,2|C<4>,3|C<3>}	C(Si[3]Si[3,5]C[6a]C[3])(CH3)3	C[3](Si[3]Si[3,5]C[6a]C)(Si[3,5]Si[3]C[5]2)(NC[6a]){4|Si<4>,2|C<3>,2|C<4>}	123.4440	0.989	2	123.4440	0.977	2	123.4440	0.977	2	123.4440	0.977	2	120.8997	9.491	4	120.8997	9.491	4
872	490	902	0:SP3_SP2_SP3	Si[3]	C	C[3]	4:3:3:4:	4:4:4:4:	4:4:2:	Si[3,5]-4:C[6a]-3:C[3]-3:C-4:	Si[3]-4:C-4:C-4:C-4:	Si[3]-4:Si[3,5]-4:N-2:	Si[3](Si[3,5]C[3]C[5]2)(C[6a]C[6a,6a]2)(C[3]Si[3,5]N)(CC3)	C(Si[3]Si[3,5]C[6a]C[3])(CH3)3	C[3](Si[3]Si[3,5]C[6a]C)(Si[3,5]Si[3]C[5]2)(NC[6a])	Si[3](Si[3,5]C[3]C[5]2)(C[6a]C[6a,6a]2)(C[3]Si[3,5]N)(CC3){4|Si<4>,2|C<4>,4|C<3>}	C(Si[3]Si[3,5]C[6a]C[3])(CH3)3	C[3](Si[3]Si[3,5]C[6a]C)(Si[3,5]Si[3]C[5]2)(NC[6a]){4|Si<4>,2|C<3>,2|C<4>}	118.3555	1.266	2	118.3555	1.604	2	118.3555	1.604	2	118.3555	1.604	2	120.8997	9.491	4	120.8997	9.491	4
872	490	956	0:SP3_SP2_SP3	Si[3]	C	N	4:4:3:4:	4:4:1:1:	4:3:4:	C[3]-4:C[3]-4:N-3:C-4:	Si[3]-4:C-4:H-1:H-1:	Si[3]-4:C[6a]-3:Si-4:	Si[3](C[3]C[3]HH)2(NC[6a]Si)(CCHH)	C(Si[3]C[3]2N)(CSiHH)(H)2	N(Si[3]C[3]2C)(C[6a]C[6a]2)(SiC3)	Si[3](C[3]C[3]HH)2(NC[6a]Si)(CCHH)	C(Si[3]C[3]2N)(CSiHH)(H)2	N(Si[3]C[3]2C)(C[6a]C[6a]2)(SiC3)	112.6940	0.000	1	112.6940	0.000	1	112.6940	0.000	1	112.6940	0.000	1	112.6940	0.000	1	112.6940	0.000	1
872	490	996	0:SP3_SP3_SP3	Si[3,4,4]	C	Si[3x4,5]	4:4:4:4:	4:4:4:4:	3:3:4:4:	Si[3,4,5,5]-4:Si[3,4,5,5]-4:Si[3x4,5]-4:C-4:	Si[3,4,4]-4:C-4:C-4:C-4:	Si[4,4,5,5]-3:Si[4,4,5,5]-3:Si[3,4,4]-4:C-4:	Si[3,4,4](Si[3,4,5,5]Si[3,4,5,5]Si[4,4,5,5]C)2(Si[3x4,5]Si[4,4,5,5]2C)(CC3)	C(Si[3,4,4]Si[3,4,5,5]2Si[3x4,5])(CH3)3	Si[3x4,5](Si[4,4,5,5]Si[3,4,5,5]Si[4,5,5])2(Si[3,4,4]Si[3,4,5,5]2C)(CC3)	Si[3,4,4](Si[3,4,5,5]Si[3,4,5,5]Si[4,4,5,5]C)2(Si[3x4,5]Si[4,4,5,5]2C)(CC3){1|Si<4>}	C(Si[3,4,4]Si[3,4,5,5]2Si[3x4,5])(CH3)3	Si[3x4,5](Si[4,4,5,5]Si[3,4,5,5]Si[4,5,5])2(Si[3,4,4]Si[3,4,5,5]2C)(CC3){4|C<4>}	130.1360	0.000	1	130.1360	0.000	1	130.1360	0.000	1	130.1360	0.000	1	130.1360	0.000	1	130.1360	0.000	1
872	542	542	5:SP3_SP2_SP3	Si[3,5]	N[5]	N[5]	4:3:3:3:	4:4:4:	4:4:4:	Si[3,5]-4:N[3]-3:N[5]-3:N[5]-3:	Si[3,5]-4:C[5]-4:C-4:	Si[3,5]-4:C[5]-4:C-4:	Si[3,5](Si[3,5]N[3]N[5]2)(N[3]Si[3,5]C[6a])(N[5]C[5]C)2	N[5](Si[3,5]Si[3,5]N[3]N[5])(C[5]C[5]CH)(CC3)	N[5](Si[3,5]Si[3,5]N[3]N[5])(C[5]C[5]HH)(CC3)	Si[3,5](Si[3,5]N[3]N[5]2)(N[3]Si[3,5]C[6a])(N[5]C[5]C)2{2|C<3>,3|H<1>,5|C<4>}	N[5](Si[3,5]Si[3,5]N[3]N[5])(C[5]C[5]CH)(CC3){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	N[5](Si[3,5]Si[3,5]N[3]N[5])(C[5]C[5]HH)(CC3){1|C<3>,1|H<1>,2|C<4>,2|N<3>}	94.6008	0.432	2	94.6008	0.187	2	94.6008	0.187	2	94.6008	0.187	2	94.6008	0.187	2	94.6008	0.187	2
872	542	872	0:SP3_SP2_SP3	Si[3,5]	N[5]	Si[3,5]	4:3:3:3:	4:4:4:	4:3:3:3:	Si[3,5]-4:N[3]-3:N[5]-3:N[5]-3:	Si[3,5]-4:C[5]-4:C-4:	Si[3,5]-4:N[3]-3:N[5]-3:N[5]-3:	Si[3,5](Si[3,5]N[3]N[5]2)(N[3]Si[3,5]C[6a])(N[5]C[5]C)2	N[5](Si[3,5]Si[3,5]N[3]N[5])(C[5]C[5]HH)(CC3)	Si[3,5](Si[3,5]N[3]N[5]2)(N[3]Si[3,5]C[6a])(N[5]C[5]C)2	Si[3,5](Si[3,5]N[3]N[5]2)(N[3]Si[3,5]C[6a])(N[5]C[5]C)2{2|C<3>,3|H<1>,5|C<4>}	N[5](Si[3,5]Si[3,5]N[3]N[5])(C[5]C[5]HH)(CC3){1|C<3>,1|H<1>,2|C<4>,2|N<3>}	Si[3,5](Si[3,5]N[3]N[5]2)(N[3]Si[3,5]C[6a])(N[5]C[5]C)2{2|C<3>,3|H<1>,5|C<4>}	127.8440	0.450	2	127.8440	0.202	2	127.8440	0.202	2	127.8440	0.202	2	127.8440	0.202	2	127.8440	0.202	2
872	542	872	0:SP3_SP3_SP3	Si[3,5]	N[5]	Si[3,5]	4:3:3:3:	4:4:4:	4:3:3:3:	Si[3,5]-4:N[3]-3:N[5]-3:N[5]-3:	Si[3,5]-4:C[5]-4:C-4:	Si[3,5]-4:N[3]-3:N[5]-3:N[5]-3:	Si[3,5](Si[3,5]N[3]N[5]2)(N[3]Si[3,5]C[6a])(N[5]C[5]C)2	N[5](Si[3,5]Si[3,5]N[3]N[5])(C[5]C[5]CH)(CC3)	Si[3,5](Si[3,5]N[3]N[5]2)(N[3]Si[3,5]C[6a])(N[5]C[5]C)2	Si[3,5](Si[3,5]N[3]N[5]2)(N[3]Si[3,5]C[6a])(N[5]C[5]C)2{2|C<3>,3|H<1>,5|C<4>}	N[5](Si[3,5]Si[3,5]N[3]N[5])(C[5]C[5]CH)(CC3){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	Si[3,5](Si[3,5]N[3]N[5]2)(N[3]Si[3,5]C[6a])(N[5]C[5]C)2{2|C<3>,3|H<1>,5|C<4>}	132.5775	1.148	2	132.5775	1.317	2	132.5775	1.317	2	132.5775	1.317	2	132.5775	1.317	2	132.5775	1.317	2
872	562	562	5:SP3_SP3_SP3	Si[3,5]	Si[5]	Si[5]	3:3:4:4:	4:4:4:4:	4:4:4:4:	Si[3,6]-3:Si[3,6]-3:Si[5]-4:Si[5]-4:	Si[3,5]-4:Si[5]-4:C-4:C-4:	Si[3,5]-4:Si[5]-4:C-4:C-4:	Si[3,5](Si[3,6]Si[3,6]Si[6])2(Si[5]Si[5]CC)2	Si[5](Si[3,5]Si[3,6]2Si[5])(Si[5]Si[5]CC)(CC3)2	Si[5](Si[3,5]Si[3,6]2Si[5])(Si[5]Si[5]CC)(CC3)2	Si[3,5](Si[3,6]Si[3,6]Si[6])2(Si[5]Si[5]CC)2{2|Si<4>,8|C<4>}	Si[5](Si[3,5]Si[3,6]2Si[5])(Si[5]Si[5]CC)(CC3)2{2|Si<4>,4|C<4>}	Si[5](Si[3,5]Si[3,6]2Si[5])(Si[5]Si[5]CC)(CC3)2{2|Si<4>,4|C<4>}	110.1910	0.000	1	110.1910	0.000	1	110.1910	0.000	1	110.1910	0.000	1	110.1910	0.000	1	110.1910	0.000	1
872	562	869	0:SP3_SP2_SP3	Si[3,5]	Si[5]	Si[3,6]	3:3:4:4:	4:4:4:4:	4:3:4:	Si[3,6]-3:Si[3,6]-3:Si[5]-4:Si[5]-4:	Si[3,5]-4:Si[5]-4:C-4:C-4:	Si[3,5]-4:Si[3,6]-3:Si[6]-4:	Si[3,5](Si[3,6]Si[3,6]Si[6])2(Si[5]Si[5]CC)2	Si[5](Si[3,5]Si[3,6]2Si[5])(Si[5]Si[5]CC)(CC3)2	Si[3,6](Si[3,5]Si[3,6]Si[5]2)(Si[3,6]Si[3,5]Si[6])(Si[6]Si[6]CC)	Si[3,5](Si[3,6]Si[3,6]Si[6])2(Si[5]Si[5]CC)2{2|Si<4>,8|C<4>}	Si[5](Si[3,5]Si[3,6]2Si[5])(Si[5]Si[5]CC)(CC3)2{2|Si<4>,4|C<4>}	Si[3,6](Si[3,5]Si[3,6]Si[5]2)(Si[3,6]Si[3,5]Si[6])(Si[6]Si[6]CC){3|Si<4>,8|C<4>}	120.5935	1.621	4	120.5935	2.629	4	120.5935	2.629	4	120.5935	2.629	4	120.5935	2.629	4	120.5935	2.629	4
872	598	872	4:SP3_SP2_SP3	Si[3,4,5,5]	Si[4,4,5,5]	Si[3,4,4]	4:4:3:4:	4:4:4:	4:4:4:4:	Si[3,4,5,5]-4:Si[3,4,4]-4:Si[4,4,5,5]-3:C-4:	Si[3,4,5,5]-4:Si[3x4,5]-4:Si[4,5,5]-4:	Si[3,4,5,5]-4:Si[3,4,5,5]-4:Si[3x4,5]-4:C-4:	Si[3,4,5,5](Si[3,4,5,5]Si[4,4,5,5]Si[3,4,4]C)(Si[3,4,4]Si[3,4,5,5]Si[3x4,5]C)(Si[4,4,5,5]Si[3x4,5]Si[4,5,5])(CC3)	Si[4,4,5,5](Si[3,4,5,5]Si[3,4,5,5]Si[3,4,4]C)(Si[3x4,5]Si[4,4,5,5]Si[3,4,4]C)(Si[4,5,5]Si[4,4,5,5]C[5]2)	Si[3,4,4](Si[3,4,5,5]Si[3,4,5,5]Si[4,4,5,5]C)2(Si[3x4,5]Si[4,4,5,5]2C)(CC3)	Si[3,4,5,5](Si[3,4,5,5]Si[4,4,5,5]Si[3,4,4]C)(Si[3,4,4]Si[3,4,5,5]Si[3x4,5]C)(Si[4,4,5,5]Si[3x4,5]Si[4,5,5])(CC3){3|C<4>}	Si[4,4,5,5](Si[3,4,5,5]Si[3,4,5,5]Si[3,4,4]C)(Si[3x4,5]Si[4,4,5,5]Si[3,4,4]C)(Si[4,5,5]Si[4,4,5,5]C[5]2){4|Si<4>,4|C<4>}	Si[3,4,4](Si[3,4,5,5]Si[3,4,5,5]Si[4,4,5,5]C)2(Si[3x4,5]Si[4,4,5,5]2C)(CC3){1|Si<4>}	89.4535	0.172	2	89.4535	0.030	2	89.4535	0.030	2	89.4535	0.030	2	89.4535	0.030	2	89.4535	0.030	2
872	598	872	5:SP3_SP2_SP3	Si[3,4,5,5]	Si[4,4,5,5]	Si[3,4,5,5]	4:4:3:4:	4:4:4:	4:4:3:4:	Si[3,4,5,5]-4:Si[3,4,4]-4:Si[4,4,5,5]-3:C-4:	Si[3,4,5,5]-4:Si[3x4,5]-4:Si[4,5,5]-4:	Si[3,4,5,5]-4:Si[3,4,4]-4:Si[4,4,5,5]-3:C-4:	Si[3,4,5,5](Si[3,4,5,5]Si[4,4,5,5]Si[3,4,4]C)(Si[3,4,4]Si[3,4,5,5]Si[3x4,5]C)(Si[4,4,5,5]Si[3x4,5]Si[4,5,5])(CC3)	Si[4,4,5,5](Si[3,4,5,5]Si[3,4,5,5]Si[3,4,4]C)(Si[3x4,5]Si[4,4,5,5]Si[3,4,4]C)(Si[4,5,5]Si[4,4,5,5]C[5]2)	Si[3,4,5,5](Si[3,4,5,5]Si[4,4,5,5]Si[3,4,4]C)(Si[3,4,4]Si[3,4,5,5]Si[3x4,5]C)(Si[4,4,5,5]Si[3x4,5]Si[4,5,5])(CC3)	Si[3,4,5,5](Si[3,4,5,5]Si[4,4,5,5]Si[3,4,4]C)(Si[3,4,4]Si[3,4,5,5]Si[3x4,5]C)(Si[4,4,5,5]Si[3x4,5]Si[4,5,5])(CC3){3|C<4>}	Si[4,4,5,5](Si[3,4,5,5]Si[3,4,5,5]Si[3,4,4]C)(Si[3x4,5]Si[4,4,5,5]Si[3,4,4]C)(Si[4,5,5]Si[4,4,5,5]C[5]2){4|Si<4>,4|C<4>}	Si[3,4,5,5](Si[3,4,5,5]Si[4,4,5,5]Si[3,4,4]C)(Si[3,4,4]Si[3,4,5,5]Si[3x4,5]C)(Si[4,4,5,5]Si[3x4,5]Si[4,5,5])(CC3){3|C<4>}	94.2597	1.834	2	94.2597	3.364	2	94.2597	3.364	2	94.2597	3.364	2	94.2597	3.364	2	94.2597	3.364	2
872	622	658	6:SP3_SP3_SP3	Si[3,6]	O[6]	Si[6]	5:4:2:2:	4:4:	4:3:2:3:	Si[3,4]-5:Si[6]-4:O[3]-2:O[6]-2:	Si[3,6]-4:Si[6]-4:	Si[3,6]-4:C[6a]-3:O[6]-2:N-3:	Si[3,6](Si[3,4]C[6a]N[4]2O[3])(Si[6]C[6a]O[6]N)(O[3]Si[3,4])(O[6]Si[6])	O[6](Si[3,6]Si[3,4]Si[6]O[3])(Si[6]Si[3,6]C[6a]N)	Si[6](Si[3,6]Si[3,4]O[3]O[6])(C[6a]C[6,6a]C[6a])(O[6]Si[3,6])(NCC)	Si[3,6](Si[3,4]C[6a]N[4]2O[3])(Si[6]C[6a]O[6]N)(O[3]Si[3,4])(O[6]Si[6]){1|Si<4>,1|N<3>,2|C<4>,6|C<3>}	O[6](Si[3,6]Si[3,4]Si[6]O[3])(Si[6]Si[3,6]C[6a]N){1|Si<5>,2|O<2>,3|N<3>,4|C<3>}	Si[6](Si[3,6]Si[3,4]O[3]O[6])(C[6a]C[6,6a]C[6a])(O[6]Si[3,6])(NCC){1|Si<4>,1|Si<5>,1|H<1>,2|N<3>,2|O<2>,3|C<3>}	106.0830	0.000	1	106.0830	0.000	1	106.0830	0.000	1	106.0830	0.000	1	106.0830	0.000	1	106.0830	0.000	1
872	622	881	0:SP3_SP3_SPD5	Si[3,6]	O[6]	Si[3,4]	5:4:2:2:	4:4:	4:3:2:3:3:	Si[3,4]-5:Si[6]-4:O[3]-2:O[6]-2:	Si[3,6]-4:Si[6]-4:	Si[3,6]-4:C[6a]-3:O[3]-2:N[4]-3:N[4]-3:	Si[3,6](Si[3,4]C[6a]N[4]2O[3])(Si[6]C[6a]O[6]N)(O[3]Si[3,4])(O[6]Si[6])	O[6](Si[3,6]Si[3,4]Si[6]O[3])(Si[6]Si[3,6]C[6a]N)	Si[3,4](Si[3,6]Si[6]O[3]O[6])(C[6a]C[6,6a]C[6a])(O[3]Si[3,6])(N[4]C[4]C)2	Si[3,6](Si[3,4]C[6a]N[4]2O[3])(Si[6]C[6a]O[6]N)(O[3]Si[3,4])(O[6]Si[6]){1|Si<4>,1|N<3>,2|C<4>,6|C<3>}	O[6](Si[3,6]Si[3,4]Si[6]O[3])(Si[6]Si[3,6]C[6a]N){1|Si<5>,2|O<2>,3|N<3>,4|C<3>}	Si[3,4](Si[3,6]Si[6]O[3]O[6])(C[6a]C[6,6a]C[6a])(O[3]Si[3,6])(N[4]C[4]C)2{1|Si<4>,1|H<1>,1|N<3>,2|O<2>,4|C<3>}	122.6070	0.000	1	122.6070	0.000	1	122.6070	0.000	1	122.6070	0.000	1	122.6070	0.000	1	122.6070	0.000	1
872	622	962	0:SP3_SP3_SP3	Si[3,6]	O[6]	O[3]	5:4:2:2:	4:4:	5:4:	Si[3,4]-5:Si[6]-4:O[3]-2:O[6]-2:	Si[3,6]-4:Si[6]-4:	Si[3,4]-5:Si[3,6]-4:	Si[3,6](Si[3,4]C[6a]N[4]2O[3])(Si[6]C[6a]O[6]N)(O[3]Si[3,4])(O[6]Si[6])	O[6](Si[3,6]Si[3,4]Si[6]O[3])(Si[6]Si[3,6]C[6a]N)	O[3](Si[3,4]Si[3,6]C[6a]N[4]2)(Si[3,6]Si[3,4]Si[6]O[6])	Si[3,6](Si[3,4]C[6a]N[4]2O[3])(Si[6]C[6a]O[6]N)(O[3]Si[3,4])(O[6]Si[6]){1|Si<4>,1|N<3>,2|C<4>,6|C<3>}	O[6](Si[3,6]Si[3,4]Si[6]O[3])(Si[6]Si[3,6]C[6a]N){1|Si<5>,2|O<2>,3|N<3>,4|C<3>}	O[3](Si[3,4]Si[3,6]C[6a]N[4]2)(Si[3,6]Si[3,4]Si[6]O[6]){1|Si<4>,1|N<3>,1|O<2>,2|C<4>,4|C<3>}	110.7250	0.000	1	110.7250	0.000	1	110.7250	0.000	1	110.7250	0.000	1	110.7250	0.000	1	110.7250	0.000	1
872	643	643	0:SP3_SP2_SP2	Si[3]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[3,6a]-3:C[3,6a]-3:C[6a]-3:C[6a]-3:	Si[3]-4:C[6a]-3:C[6a]-3:	Si[3]-4:C[6a]-3:C[6a]-3:	Si[3](C[3,6a]C[3,6a]C[6a])2(C[6a]C[6a]2)2	C[6a](Si[3]C[3,6a]2C[6a])(C[6a]C[6a]C)2	C[6a](Si[3]C[3,6a]2C[6a])(C[6a]C[6a]C)2	Si[3](C[3,6a]C[3,6a]C[6a])2(C[6a]C[6a]2)2{2|H<1>,4|C<4>,6|C<3>}	C[6a](Si[3]C[3,6a]2C[6a])(C[6a]C[6a]C)2{2|H<1>,5|C<3>}	C[6a](Si[3]C[3,6a]2C[6a])(C[6a]C[6a]C)2{2|H<1>,5|C<3>}	118.7380	0.000	1	118.7380	0.000	1	118.7380	0.000	1	118.7380	0.000	1	110.2688	47.889	5	110.2688	47.889	5
872	643	643	0:SP3_SP2_SP2	Si[3]	C[6a]	C[6a]	4:3:3:3:	4:3:3:	4:3:3:	Si[3]-4:Si[3]-3:C[6a]-3:C[6a]-3:	Si[3]-4:C[6a]-3:C[6a]-3:	Si[3]-4:C[6a]-3:C[6a]-3:	Si[3](Si[3]C[6a]2Si[3])(Si[3]C[6a]Si[3])(C[6a]C[6a]2)2	C[6a](Si[3]C[6a]Si[3]2)(C[6a]C[6a]C)2	C[6a](Si[3]C[6a]Si[3]2)(C[6a]C[6a]C)2	Si[3](Si[3]C[6a]2Si[3])(Si[3]C[6a]Si[3])(C[6a]C[6a]2)2{10|C<3>,4|C<4>}	C[6a](Si[3]C[6a]Si[3]2)(C[6a]C[6a]C)2{2|H<1>,6|C<3>}	C[6a](Si[3]C[6a]Si[3]2)(C[6a]C[6a]C)2{2|H<1>,6|C<3>}	102.5660	0.000	1	102.5660	0.000	1	103.1195	0.613	2	103.1195	0.613	2	110.2688	47.889	5	110.2688	47.889	5
872	643	643	0:SP3_SP2_SP2	Si[3]	C[6a]	C[6a]	4:3:3:3:	4:3:3:	4:3:3:	Si[3]-4:Si[3]-3:C[6a]-3:C[6a]-3:	Si[3]-4:C[6a]-3:C[6a]-3:	Si[3]-4:C[6a]-3:C[6a]-3:	Si[3](Si[3]C[6a]2Si[3])(Si[3]C[6a]Si[3])(C[6a]C[6a]2)2	C[6a](Si[3]C[6a]Si[3]2)(C[6a]C[6a]H)2	C[6a](Si[3]C[6a]Si[3]2)(C[6a]C[6a]H)2	Si[3](Si[3]C[6a]2Si[3])(Si[3]C[6a]Si[3])(C[6a]C[6a]2)2{10|C<3>,4|H<1>}	C[6a](Si[3]C[6a]Si[3]2)(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	C[6a](Si[3]C[6a]Si[3]2)(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	103.6730	0.000	1	103.6730	0.000	1	103.1195	0.613	2	103.1195	0.613	2	110.2688	47.889	5	110.2688	47.889	5
872	643	643	0:SP3_SP2_SP2	Si[3]	C[6a]	C[6a]	4:4:3:3:	4:3:3:	4:3:3:	Si[3]-4:Si[3]-4:C[6a]-3:C[6a]-3:	Si[3]-4:C[6a]-3:C[6a]-3:	Si[3]-4:C[6a]-3:C[6a]-3:	Si[3](Si[3]C[6a]Si[3]Cl)(Si[3]Si[3]CC)(C[6a]C[6a]2)2	C[6a](Si[3]C[6a]Si[3]2)(C[6a]C[6a]C)2	C[6a](Si[3]C[6a]Si[3]2)(C[6a]C[6a]C)2	Si[3](Si[3]C[6a]Si[3]Cl)(Si[3]Si[3]CC)(C[6a]C[6a]2)2{4|C<4>,6|C<3>}	C[6a](Si[3]C[6a]Si[3]2)(C[6a]C[6a]C)2{1|Cl<1>,2|C<4>,2|H<1>,4|C<3>}	C[6a](Si[3]C[6a]Si[3]2)(C[6a]C[6a]C)2{1|Cl<1>,2|C<4>,2|H<1>,4|C<3>}	113.1835	0.032	2	113.1835	0.001	2	113.1835	0.001	2	113.1835	0.001	2	110.2688	47.889	5	110.2688	47.889	5
872	643	790	0:SP3_SP-NON_SP2	Si[3]	C[6a]	Cl	4:4:3:1:	4:3:3:	4:	Si[3]-4:Si[3]-4:C[6a]-3:Cl-1:	Si[3]-4:C[6a]-3:C[6a]-3:	Si[3]-4:	Si[3](Si[3]C[6a]2Si[3])(Si[3]Si[3]CC)(C[6a]C[6a]2)(Cl)	C[6a](Si[3]Si[3]2Cl)(C[6a]C[6a]C)2	Cl(Si[3]C[6a]Si[3]2)	Si[3](Si[3]C[6a]2Si[3])(Si[3]Si[3]CC)(C[6a]C[6a]2)(Cl){2|C<4>,6|C<3>}	C[6a](Si[3]Si[3]2Cl)(C[6a]C[6a]C)2{2|C<4>,2|H<1>,3|C<3>}	Cl(Si[3]C[6a]Si[3]2)	107.1210	0.042	2	107.1210	0.002	2	107.1210	0.002	2	107.1210	0.002	2	107.1210	0.002	2	107.1210	0.002	2
872	643	853	0:SP3_SP2_SP2	Si[3]	C[6a]	C[3,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[3,6a]-3:C[3,6a]-3:C[6a]-3:C[6a]-3:	Si[3]-4:C[6a]-3:C[6a]-3:	Si[3]-4:C[3,6a]-3:C[6a]-3:	Si[3](C[3,6a]C[3,6a]C[6a])2(C[6a]C[6a]2)2	C[6a](Si[3]C[3,6a]2C[6a])(C[6a]C[6a]C)2	C[3,6a](Si[3]C[3,6a]C[6a]2)(C[3,6a]C[6a]Si[3])(C[6a]C[6a]H)	Si[3](C[3,6a]C[3,6a]C[6a])2(C[6a]C[6a]2)2{2|H<1>,4|C<4>,6|C<3>}	C[6a](Si[3]C[3,6a]2C[6a])(C[6a]C[6a]C)2{2|H<1>,5|C<3>}	C[3,6a](Si[3]C[3,6a]C[6a]2)(C[3,6a]C[6a]Si[3])(C[6a]C[6a]H){2|H<1>,5|C<3>}	118.1065	3.685	4	118.1065	13.580	4	118.1065	13.580	4	118.1065	13.580	4	118.1065	13.580	4	118.1065	13.580	4
872	643	869	0:SP3_SP2_SP2	Si[3]	C[6a]	Si[3]	4:3:3:3:	4:3:3:	4:4:3:	Si[3]-4:Si[3]-3:C[6a]-3:C[6a]-3:	Si[3]-4:C[6a]-3:C[6a]-3:	Si[3]-4:Si[3]-4:C[6a]-3:	Si[3](Si[3]C[6a]2Si[3])(Si[3]C[6a]Si[3])(C[6a]C[6a]2)2	C[6a](Si[3]C[6a]Si[3]2)(C[6a]C[6a]C)2	Si[3](Si[3]C[6a]2Si[3])2(C[6a]C[6a]2)	Si[3](Si[3]C[6a]2Si[3])(Si[3]C[6a]Si[3])(C[6a]C[6a]2)2{10|C<3>,4|C<4>}	C[6a](Si[3]C[6a]Si[3]2)(C[6a]C[6a]C)2{2|H<1>,6|C<3>}	Si[3](Si[3]C[6a]2Si[3])2(C[6a]C[6a]2){10|C<3>,2|C<4>}	126.1995	6.520	2	126.1995	42.513	2	124.1100	69.007	4	124.1100	69.007	4	124.1100	69.007	4	124.1100	69.007	4
872	643	869	0:SP3_SP2_SP2	Si[3]	C[6a]	Si[3]	4:3:3:3:	4:3:3:	4:4:3:	Si[3]-4:Si[3]-3:C[6a]-3:C[6a]-3:	Si[3]-4:C[6a]-3:C[6a]-3:	Si[3]-4:Si[3]-4:C[6a]-3:	Si[3](Si[3]C[6a]2Si[3])(Si[3]C[6a]Si[3])(C[6a]C[6a]2)2	C[6a](Si[3]C[6a]Si[3]2)(C[6a]C[6a]H)2	Si[3](Si[3]C[6a]2Si[3])2(C[6a]C[6a]2)	Si[3](Si[3]C[6a]2Si[3])(Si[3]C[6a]Si[3])(C[6a]C[6a]2)2{10|C<3>,4|H<1>}	C[6a](Si[3]C[6a]Si[3]2)(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	Si[3](Si[3]C[6a]2Si[3])2(C[6a]C[6a]2){10|C<3>,2|C<4>}	122.0205	12.126	2	122.0205	147.044	2	124.1100	69.007	4	124.1100	69.007	4	124.1100	69.007	4	124.1100	69.007	4
872	643	872	0:SP3_SP2_SP3	Si[3,4,4]	C[6a]	Si[3,4,4]	4:4:4:3:	4:3:3:	4:4:4:3:	Si[3,4,4]-4:Si[3,4,4]-4:Si[3,4,4]-4:C[6a]-3:	Si[3,4,4]-4:C[6a]-3:C[6a]-3:	Si[3,4,4]-4:Si[3,4,4]-4:Si[3,4,4]-4:C[6a]-3:	Si[3,4,4](Si[3,4,4]Si[3,4,4]2C[6a])3(C[6a]C[6a]2)	C[6a](Si[3,4,4]Si[3,4,4]3)(C[6a]C[6a]C)2	Si[3,4,4](Si[3,4,4]Si[3,4,4]2C[6a])3(C[6a]C[6a]2)	Si[3,4,4](Si[3,4,4]Si[3,4,4]2C[6a])3(C[6a]C[6a]2){10|C<3>,2|C<4>}	C[6a](Si[3,4,4]Si[3,4,4]3)(C[6a]C[6a]C)2{2|Si<4>,2|H<1>,4|C<3>}	Si[3,4,4](Si[3,4,4]Si[3,4,4]2C[6a])3(C[6a]C[6a]2){10|C<3>,2|C<4>}	131.1131	3.830	18	131.1131	14.671	18	131.1131	14.671	18	131.1131	14.671	18	131.1131	14.671	18	127.0838	82.361	38
872	643	872	0:SP3_SP2_SP3	Si[3]	C[6a]	Si[3,5]	3:4:3:4:	3:4:3:	4:4:4:3:	C[6a]-3:Si[3,5]-4:C[3]-3:C-4:	C[6a,6a]-3:Si[3]-4:C[6a]-3:	Si[3]-4:C[5]-4:C[5]-4:C[3]-3:	Si[3](C[6a]C[6a,6a]C[6a])(Si[3,5]C[3]C[5]2)(C[3]Si[3,5]N)(CC3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(Si[3]Si[3,5]C[3]C)(C[6a]C[6a]H)	Si[3,5](Si[3]C[6a]C[3]C)(C[5]C[5]Si2)2(C[3]Si[3]N)	Si[3](C[6a]C[6a,6a]C[6a])(Si[3,5]C[3]C[5]2)(C[3]Si[3,5]N)(CC3){4|Si<4>,1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(Si[3]Si[3,5]C[3]C)(C[6a]C[6a]H){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	Si[3,5](Si[3]C[6a]C[3]C)(C[5]C[5]Si2)2(C[3]Si[3]N){2|C<3>,4|H<1>}	116.4690	0.928	2	116.4690	0.861	2	116.4690	0.861	2	116.4690	0.861	2	119.8152	17.732	4	127.0838	82.361	38
872	643	872	0:SP3_SP2_SP3	Si[3]	C[6a]	Si[3,5]	4:3:3:4:	3:3:4:	4:4:4:3:	Si[3,5]-4:C[6a]-3:C[3]-3:C-4:	C[6a,6a]-3:C[6a,6a]-3:Si[3]-4:	Si[3]-4:C[5]-4:C[5]-4:C[3]-3:	Si[3](Si[3,5]C[3]C[5]2)(C[6a]C[6a,6a]2)(C[3]Si[3,5]N)(CC3)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(Si[3]Si[3,5]C[3]C)	Si[3,5](Si[3]C[6a]C[3]C)(C[5]C[5]Si2)2(C[3]Si[3]N)	Si[3](Si[3,5]C[3]C[5]2)(C[6a]C[6a,6a]2)(C[3]Si[3,5]N)(CC3){4|Si<4>,2|C<4>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(Si[3]Si[3,5]C[3]C){1|N<2>,2|C<4>,2|H<1>,5|C<3>}	Si[3,5](Si[3]C[6a]C[3]C)(C[5]C[5]Si2)2(C[3]Si[3]N){2|C<3>,4|H<1>}	123.1615	2.747	2	123.1615	7.547	2	123.1615	7.547	2	123.1615	7.547	2	119.8152	17.732	4	127.0838	82.361	38
872	643	872	0:SP3_SP2_SP3	Si[3]	C[6a]	Si[3]	4:3:3:3:	4:3:3:	4:3:3:3:	Si[3]-4:Si[3]-3:C[6a]-3:C[6a]-3:	Si[3]-4:C[6a]-3:C[6a]-3:	Si[3]-4:Si[3]-3:C[6a]-3:C[6a]-3:	Si[3](Si[3]C[6a]2Si[3])(Si[3]C[6a]Si[3])(C[6a]C[6a]2)2	C[6a](Si[3]C[6a]Si[3]2)(C[6a]C[6a]C)2	Si[3](Si[3]C[6a]2Si[3])(Si[3]C[6a]Si[3])(C[6a]C[6a]2)2	Si[3](Si[3]C[6a]2Si[3])(Si[3]C[6a]Si[3])(C[6a]C[6a]2)2{10|C<3>,4|C<4>}	C[6a](Si[3]C[6a]Si[3]2)(C[6a]C[6a]C)2{2|H<1>,6|C<3>}	Si[3](Si[3]C[6a]2Si[3])(Si[3]C[6a]Si[3])(C[6a]C[6a]2)2{10|C<3>,4|H<1>}	119.4075	12.710	2	119.4075	161.550	2	120.9868	70.556	4	120.9868	70.556	4	124.3681	141.545	16	127.0838	82.361	38
872	643	872	0:SP3_SP2_SP3	Si[3]	C[6a]	Si[3]	4:3:3:3:	4:3:3:	4:3:3:3:	Si[3]-4:Si[3]-3:C[6a]-3:C[6a]-3:	Si[3]-4:C[6a]-3:C[6a]-3:	Si[3]-4:Si[3]-3:C[6a]-3:C[6a]-3:	Si[3](Si[3]C[6a]2Si[3])(Si[3]C[6a]Si[3])(C[6a]C[6a]2)2	C[6a](Si[3]C[6a]Si[3]2)(C[6a]C[6a]H)2	Si[3](Si[3]C[6a]2Si[3])(Si[3]C[6a]Si[3])(C[6a]C[6a]2)2	Si[3](Si[3]C[6a]2Si[3])(Si[3]C[6a]Si[3])(C[6a]C[6a]2)2{10|C<3>,4|H<1>}	C[6a](Si[3]C[6a]Si[3]2)(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	Si[3](Si[3]C[6a]2Si[3])(Si[3]C[6a]Si[3])(C[6a]C[6a]2)2{10|C<3>,4|C<4>}	122.5660	6.336	2	122.5660	40.141	2	120.9868	70.556	4	120.9868	70.556	4	124.3681	141.545	16	127.0838	82.361	38
872	643	872	0:SP3_SP2_SP3	Si[3]	C[6a]	Si[3]	4:4:3:1:	4:3:3:	4:4:3:3:	Si[3]-4:Si[3]-4:C[6a]-3:Cl-1:	Si[3]-4:C[6a]-3:C[6a]-3:	Si[3]-4:Si[3]-4:C[6a]-3:C[6a]-3:	Si[3](Si[3]C[6a]2Si[3])(Si[3]Si[3]CC)(C[6a]C[6a]2)(Cl)	C[6a](Si[3]Si[3]2Cl)(C[6a]C[6a]C)2	Si[3](Si[3]C[6a]Si[3]Cl)(Si[3]Si[3]CC)(C[6a]C[6a]2)2	Si[3](Si[3]C[6a]2Si[3])(Si[3]Si[3]CC)(C[6a]C[6a]2)(Cl){2|C<4>,6|C<3>}	C[6a](Si[3]Si[3]2Cl)(C[6a]C[6a]C)2{2|C<4>,2|H<1>,3|C<3>}	Si[3](Si[3]C[6a]Si[3]Cl)(Si[3]Si[3]CC)(C[6a]C[6a]2)2{4|C<4>,6|C<3>}	142.0270	1.304	2	142.0270	1.700	2	142.0270	1.700	2	142.0270	1.700	2	124.3681	141.545	16	127.0838	82.361	38
872	643	872	0:SP3_SP2_SP3	Si[3]	C[6a]	Si[3]	4:4:3:1:	4:3:3:	4:4:4:4:	Si[3]-4:Si[3]-4:C[6a]-3:Cl-1:	Si[3]-4:C[6a]-3:C[6a]-3:	Si[3]-4:Si[3]-4:C-4:C-4:	Si[3](Si[3]C[6a]2Si[3])(Si[3]Si[3]CC)(C[6a]C[6a]2)(Cl)	C[6a](Si[3]Si[3]2Cl)(C[6a]C[6a]C)2	Si[3](Si[3]C[6a]Si[3]Cl)(Si[3]C[6a]2Si[3])(CH3)2	Si[3](Si[3]C[6a]2Si[3])(Si[3]Si[3]CC)(C[6a]C[6a]2)(Cl){2|C<4>,6|C<3>}	C[6a](Si[3]Si[3]2Cl)(C[6a]C[6a]C)2{2|C<4>,2|H<1>,3|C<3>}	Si[3](Si[3]C[6a]Si[3]Cl)(Si[3]C[6a]2Si[3])(CH3)2{6|C<3>}	136.1940	1.137	2	136.1940	1.293	2	136.1940	1.293	2	136.1940	1.293	2	124.3681	141.545	16	127.0838	82.361	38
872	643	872	0:SP3_SP2_SP3	Si[3]	C[6a]	Si[3]	4:4:3:3:	4:3:3:	4:4:3:1:	Si[3]-4:Si[3]-4:C[6a]-3:C[6a]-3:	Si[3]-4:C[6a]-3:C[6a]-3:	Si[3]-4:Si[3]-4:C[6a]-3:Cl-1:	Si[3](Si[3]C[6a]Si[3]Cl)(Si[3]Si[3]CC)(C[6a]C[6a]2)2	C[6a](Si[3]C[6a]Si[3]2)(C[6a]C[6a]C)2	Si[3](Si[3]C[6a]2Si[3])(Si[3]Si[3]CC)(C[6a]C[6a]2)(Cl)	Si[3](Si[3]C[6a]Si[3]Cl)(Si[3]Si[3]CC)(C[6a]C[6a]2)2{4|C<4>,6|C<3>}	C[6a](Si[3]C[6a]Si[3]2)(C[6a]C[6a]C)2{1|Cl<1>,2|C<4>,2|H<1>,4|C<3>}	Si[3](Si[3]C[6a]2Si[3])(Si[3]Si[3]CC)(C[6a]C[6a]2)(Cl){2|C<4>,6|C<3>}	120.3247	1.131	4	120.3247	1.280	4	120.3247	1.280	4	120.3247	1.280	4	124.3681	141.545	16	127.0838	82.361	38
872	643	872	0:SP3_SP2_SP3	Si[3]	C[6a]	Si[3]	4:4:3:3:	4:3:3:	4:4:4:4:	Si[3]-4:Si[3]-4:C[6a]-3:C[6a]-3:	Si[3]-4:C[6a]-3:C[6a]-3:	Si[3]-4:Si[3]-4:C-4:C-4:	Si[3](Si[3]C[6a]Si[3]Cl)(Si[3]Si[3]CC)(C[6a]C[6a]2)2	C[6a](Si[3]C[6a]Si[3]2)(C[6a]C[6a]C)2	Si[3](Si[3]C[6a]Si[3]Cl)(Si[3]C[6a]2Si[3])(CH3)2	Si[3](Si[3]C[6a]Si[3]Cl)(Si[3]Si[3]CC)(C[6a]C[6a]2)2{4|C<4>,6|C<3>}	C[6a](Si[3]C[6a]Si[3]2)(C[6a]C[6a]C)2{1|Cl<1>,2|C<4>,2|H<1>,4|C<3>}	Si[3](Si[3]C[6a]Si[3]Cl)(Si[3]C[6a]2Si[3])(CH3)2{6|C<3>}	117.0503	15.011	4	117.0503	225.323	4	117.0503	225.323	4	117.0503	225.323	4	124.3681	141.545	16	127.0838	82.361	38
872	643	902	0:SP3_SP2_SP2	Si[3]	C[6a]	C[3]	3:3:3:1:	4:3:3:	4:3:4:	C[6a]-3:C[3]-3:C[3]-3:Br-1:	Si[3]-4:C[6a]-3:C[6a]-3:	Si[3]-4:C[3]-3:C-4:	Si[3](C[6a]C[6a]2)(C[3]C[3]C)2(Br)	C[6a](Si[3]C[3]2Br)(C[6a]C[6a]C)2	C[3](Si[3]C[6a]C[3]Br)(C[3]Si[3]C)(CCHH)	Si[3](C[6a]C[6a]2)(C[3]C[3]C)2(Br){2|C<3>,2|C<4>}	C[6a](Si[3]C[3]2Br)(C[6a]C[6a]C)2{1|C<3>,2|C<4>,2|H<1>}	C[3](Si[3]C[6a]C[3]Br)(C[3]Si[3]C)(CCHH){2|C<3>}	130.7945	0.121	2	130.7945	0.015	2	130.0083	1.037	4	130.0083	1.037	4	124.3285	52.514	8	124.3285	52.514	8
872	643	902	0:SP3_SP2_SP2	Si[3]	C[6a]	C[3]	3:3:3:1:	4:3:3:	4:3:4:	C[6a]-3:C[3]-3:C[3]-3:Br-1:	Si[3]-4:C[6a]-3:C[6a]-3:	Si[3]-4:C[3]-3:C-4:	Si[3](C[6a]C[6a]2)(C[3]C[3]C)2(Br)	C[6a](Si[3]C[3]2Br)(C[6a]C[6a]C)2	C[3](Si[3]C[6a]C[3]Br)(C[3]Si[3]C)(CHHN)	Si[3](C[6a]C[6a]2)(C[3]C[3]C)2(Br){2|C<3>,2|C<4>}	C[6a](Si[3]C[3]2Br)(C[6a]C[6a]C)2{1|C<3>,2|C<4>,2|H<1>}	C[3](Si[3]C[6a]C[3]Br)(C[3]Si[3]C)(CHHN){2|C<3>}	129.2220	0.789	2	129.2220	0.623	2	130.0083	1.037	4	130.0083	1.037	4	124.3285	52.514	8	124.3285	52.514	8
872	643	902	0:SP3_SP2_SP2	Si[3]	C[6a]	C[3]	3:4:3:4:	3:4:3:	4:4:2:	C[6a]-3:Si[3,5]-4:C[3]-3:C-4:	C[6a,6a]-3:Si[3]-4:C[6a]-3:	Si[3]-4:Si[3,5]-4:N-2:	Si[3](C[6a]C[6a,6a]C[6a])(Si[3,5]C[3]C[5]2)(C[3]Si[3,5]N)(CC3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(Si[3]Si[3,5]C[3]C)(C[6a]C[6a]H)	C[3](Si[3]Si[3,5]C[6a]C)(Si[3,5]Si[3]C[5]2)(NC[6a])	Si[3](C[6a]C[6a,6a]C[6a])(Si[3,5]C[3]C[5]2)(C[3]Si[3,5]N)(CC3){4|Si<4>,1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(Si[3]Si[3,5]C[3]C)(C[6a]C[6a]H){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	C[3](Si[3]Si[3,5]C[6a]C)(Si[3,5]Si[3]C[5]2)(NC[6a]){4|Si<4>,2|C<3>,2|C<4>}	115.2780	7.797	2	115.2780	60.786	2	115.2780	60.786	2	115.2780	60.786	2	124.3285	52.514	8	124.3285	52.514	8
872	643	902	0:SP3_SP2_SP2	Si[3]	C[6a]	C[3]	4:3:3:4:	3:3:4:	4:4:2:	Si[3,5]-4:C[6a]-3:C[3]-3:C-4:	C[6a,6a]-3:C[6a,6a]-3:Si[3]-4:	Si[3]-4:Si[3,5]-4:N-2:	Si[3](Si[3,5]C[3]C[5]2)(C[6a]C[6a,6a]2)(C[3]Si[3,5]N)(CC3)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(Si[3]Si[3,5]C[3]C)	C[3](Si[3]Si[3,5]C[6a]C)(Si[3,5]Si[3]C[5]2)(NC[6a])	Si[3](Si[3,5]C[3]C[5]2)(C[6a]C[6a,6a]2)(C[3]Si[3,5]N)(CC3){4|Si<4>,2|C<4>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(Si[3]Si[3,5]C[3]C){1|N<2>,2|C<4>,2|H<1>,5|C<3>}	C[3](Si[3]Si[3,5]C[6a]C)(Si[3,5]Si[3]C[5]2)(NC[6a]){4|Si<4>,2|C<3>,2|C<4>}	122.0195	0.422	2	122.0195	0.178	2	122.0195	0.178	2	122.0195	0.178	2	124.3285	52.514	8	124.3285	52.514	8
872	643	924	0:SP3_SP-NON_SP2	Si[3]	C[6a]	Br	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[3]-3:C[3]-3:Br-1:	Si[3]-4:C[6a]-3:C[6a]-3:	Si[3]-4:	Si[3](C[6a]C[6a]2)(C[3]C[3]C)2(Br)	C[6a](Si[3]C[3]2Br)(C[6a]C[6a]C)2	Br(Si[3]C[6a]C[3]2)	Si[3](C[6a]C[6a]2)(C[3]C[3]C)2(Br){2|C<3>,2|C<4>}	C[6a](Si[3]C[3]2Br)(C[6a]C[6a]C)2{1|C<3>,2|C<4>,2|H<1>}	Br(Si[3]C[6a]C[3]2)	106.0055	0.868	2	106.0055	0.753	2	106.0055	0.753	2	106.0055	0.753	2	106.0055	0.753	2	106.0055	0.753	2
872	658	881	0:SP3_SP3_SPD5	Si[3,6]	Si[6]	Si[3,4]	5:4:2:2:	4:3:2:3:	4:3:2:3:3:	Si[3,4]-5:Si[6]-4:O[3]-2:O[6]-2:	Si[3,6]-4:C[6a]-3:O[6]-2:N-3:	Si[3,6]-4:C[6a]-3:O[3]-2:N[4]-3:N[4]-3:	Si[3,6](Si[3,4]C[6a]N[4]2O[3])(Si[6]C[6a]O[6]N)(O[3]Si[3,4])(O[6]Si[6])	Si[6](Si[3,6]Si[3,4]O[3]O[6])(C[6a]C[6,6a]C[6a])(O[6]Si[3,6])(NCC)	Si[3,4](Si[3,6]Si[6]O[3]O[6])(C[6a]C[6,6a]C[6a])(O[3]Si[3,6])(N[4]C[4]C)2	Si[3,6](Si[3,4]C[6a]N[4]2O[3])(Si[6]C[6a]O[6]N)(O[3]Si[3,4])(O[6]Si[6]){1|Si<4>,1|N<3>,2|C<4>,6|C<3>}	Si[6](Si[3,6]Si[3,4]O[3]O[6])(C[6a]C[6,6a]C[6a])(O[6]Si[3,6])(NCC){1|Si<4>,1|Si<5>,1|H<1>,2|N<3>,2|O<2>,3|C<3>}	Si[3,4](Si[3,6]Si[6]O[3]O[6])(C[6a]C[6,6a]C[6a])(O[3]Si[3,6])(N[4]C[4]C)2{1|Si<4>,1|H<1>,1|N<3>,2|O<2>,4|C<3>}	130.5950	0.000	1	130.5950	0.000	1	130.5950	0.000	1	130.5950	0.000	1	130.5950	0.000	1	130.5950	0.000	1
872	658	962	0:SP3_SP3_SP3	Si[3,6]	Si[6]	O[3]	5:4:2:2:	4:3:2:3:	5:4:	Si[3,4]-5:Si[6]-4:O[3]-2:O[6]-2:	Si[3,6]-4:C[6a]-3:O[6]-2:N-3:	Si[3,4]-5:Si[3,6]-4:	Si[3,6](Si[3,4]C[6a]N[4]2O[3])(Si[6]C[6a]O[6]N)(O[3]Si[3,4])(O[6]Si[6])	Si[6](Si[3,6]Si[3,4]O[3]O[6])(C[6a]C[6,6a]C[6a])(O[6]Si[3,6])(NCC)	O[3](Si[3,4]Si[3,6]C[6a]N[4]2)(Si[3,6]Si[3,4]Si[6]O[6])	Si[3,6](Si[3,4]C[6a]N[4]2O[3])(Si[6]C[6a]O[6]N)(O[3]Si[3,4])(O[6]Si[6]){1|Si<4>,1|N<3>,2|C<4>,6|C<3>}	Si[6](Si[3,6]Si[3,4]O[3]O[6])(C[6a]C[6,6a]C[6a])(O[6]Si[3,6])(NCC){1|Si<4>,1|Si<5>,1|H<1>,2|N<3>,2|O<2>,3|C<3>}	O[3](Si[3,4]Si[3,6]C[6a]N[4]2)(Si[3,6]Si[3,4]Si[6]O[6]){1|Si<4>,1|N<3>,1|O<2>,2|C<4>,4|C<3>}	110.6460	0.000	1	110.6460	0.000	1	110.6460	0.000	1	110.6460	0.000	1	110.6460	0.000	1	110.6460	0.000	1
872	790	872	0:SP3_SP-NON_SP3	Si[3]	Cl	Si[3]	4:4:3:1:	4:	4:4:3:3:	Si[3]-4:Si[3]-4:C[6a]-3:Cl-1:	Si[3]-4:	Si[3]-4:Si[3]-4:C[6a]-3:C[6a]-3:	Si[3](Si[3]C[6a]2Si[3])(Si[3]Si[3]CC)(C[6a]C[6a]2)(Cl)	Cl(Si[3]C[6a]Si[3]2)	Si[3](Si[3]C[6a]Si[3]Cl)(Si[3]Si[3]CC)(C[6a]C[6a]2)2	Si[3](Si[3]C[6a]2Si[3])(Si[3]Si[3]CC)(C[6a]C[6a]2)(Cl){2|C<4>,6|C<3>}	Cl(Si[3]C[6a]Si[3]2)	Si[3](Si[3]C[6a]Si[3]Cl)(Si[3]Si[3]CC)(C[6a]C[6a]2)2{4|C<4>,6|C<3>}	99.5986	0.805	2	99.5986	0.648	2	99.5986	0.648	2	99.5986	0.648	2	99.7138	0.262	4	99.7138	0.262	4
872	790	872	0:SP3_SP-NON_SP3	Si[3]	Cl	Si[3]	4:4:3:1:	4:	4:4:4:4:	Si[3]-4:Si[3]-4:C[6a]-3:Cl-1:	Si[3]-4:	Si[3]-4:Si[3]-4:C-4:C-4:	Si[3](Si[3]C[6a]2Si[3])(Si[3]Si[3]CC)(C[6a]C[6a]2)(Cl)	Cl(Si[3]C[6a]Si[3]2)	Si[3](Si[3]C[6a]Si[3]Cl)(Si[3]C[6a]2Si[3])(CH3)2	Si[3](Si[3]C[6a]2Si[3])(Si[3]Si[3]CC)(C[6a]C[6a]2)(Cl){2|C<4>,6|C<3>}	Cl(Si[3]C[6a]Si[3]2)	Si[3](Si[3]C[6a]Si[3]Cl)(Si[3]C[6a]2Si[3])(CH3)2{6|C<3>}	99.8289	0.290	2	99.8289	0.084	2	99.8289	0.084	2	99.8289	0.084	2	99.7138	0.262	4	99.7138	0.262	4
872	818	902	0:SP3_SP2_SP2	Si[3]	C[5]	C[3]	3:3:3:3:	4:3:3:	4:3:3:	C[3]-3:C[3]-3:C[5]-3:C-3:	Si[3]-4:N[5]-3:N[5]-3:	Si[3]-4:C[3]-3:C[6a]-3:	Si[3](C[3]C[6a]C[3])2(C[5]N[5]2)(CSi2)	C[5](Si[3]C[3]2C)(N[5]C[5]C)2	C[3](Si[3]C[3]C[5]C)(C[3]C[6a]Si[3])(C[6a]C[6a]2)	Si[3](C[3]C[6a]C[3])2(C[5]N[5]2)(CSi2){2|C<4>,6|C<3>}	C[5](Si[3]C[3]2C)(N[5]C[5]C)2{2|C<3>,2|C<4>}	C[3](Si[3]C[3]C[5]C)(C[3]C[6a]Si[3])(C[6a]C[6a]2){2|H<1>,2|N<3>,4|C<3>}	106.6645	2.078	2	106.6645	4.319	2	106.6645	4.319	2	106.6645	4.319	2	106.6645	4.319	2	106.6645	4.319	2
872	818	930	0:SP3_SP2_SP2	Si[3]	C[5]	C	3:3:3:3:	4:3:3:	4:4:4:	C[3]-3:C[3]-3:C[5]-3:C-3:	Si[3]-4:N[5]-3:N[5]-3:	Si[3]-4:Si-4:Si-4:	Si[3](C[3]C[6a]C[3])2(C[5]N[5]2)(CSi2)	C[5](Si[3]C[3]2C)(N[5]C[5]C)2	C(Si[3]C[3]2C[5])(SiC3)2	Si[3](C[3]C[6a]C[3])2(C[5]N[5]2)(CSi2){2|C<4>,6|C<3>}	C[5](Si[3]C[3]2C)(N[5]C[5]C)2{2|C<3>,2|C<4>}	C(Si[3]C[3]2C[5])(SiC3)2	114.5350	0.000	1	114.5350	0.000	1	114.5350	0.000	1	114.5350	0.000	1	114.5350	0.000	1	114.5350	0.000	1
872	818	941	0:SP3_SP2_SP2	Si[3]	C[5]	N	4:3:3:2:	4:3:3:	4:3:	C[3]-4:N[3]-3:C[5]-3:N-2:	Si[3]-4:N[5]-3:N[5]-3:	Si[3]-4:C[6a]-3:	Si[3](C[3]C[6a]2N[3])(N[3]C[3]Si)(C[5]N[5]2)(NC[6a])	C[5](Si[3]C[3]N[3]N)(N[5]C[5]C)2	N(Si[3]C[3]C[5]N[3])(C[6a]C[6a]2)	Si[3](C[3]C[6a]2N[3])(N[3]C[3]Si)(C[5]N[5]2)(NC[6a]){2|C<4>,6|C<3>}	C[5](Si[3]C[3]N[3]N)(N[5]C[5]C)2{1|Si<4>,2|C<3>,2|C<4>}	N(Si[3]C[3]C[5]N[3])(C[6a]C[6a]2)	103.5380	0.000	1	103.5380	0.000	1	103.5380	0.000	1	103.5380	0.000	1	103.5380	0.000	1	103.5380	0.000	1
872	852	852	3:SP3_SP3_SP3	Si[3,4,4]	P[3,3,4]	P[3,3,4]	3:3:3:3:	3:4:3:	3:4:3:	P[3,3,4]-3:P[3,3,4]-3:P[4,4]-3:C-3:	P[3,3,4]-3:Si[3,4,4]-4:P[3,4,4]-3:	P[3,3,4]-3:Si[3,4,4]-4:P[3,4,4]-3:	Si[3,4,4](P[3,3,4]P[3,3,4]P[3,4,4])2(P[4,4]P[3,4,4]Si)(CC[5]H)	P[3,3,4](P[3,3,4]Si[3,4,4]P[3,4,4])(Si[3,4,4]P[3,3,4]P[4,4]C)(P[3,4,4]P[3,3,4]P[4,4])	P[3,3,4](P[3,3,4]Si[3,4,4]P[3,4,4])(Si[3,4,4]P[3,3,4]P[4,4]C)(P[3,4,4]P[3,3,4]P[4,4])	Si[3,4,4](P[3,3,4]P[3,3,4]P[3,4,4])2(P[4,4]P[3,4,4]Si)(CC[5]H)	P[3,3,4](P[3,3,4]Si[3,4,4]P[3,4,4])(Si[3,4,4]P[3,3,4]P[4,4]C)(P[3,4,4]P[3,3,4]P[4,4]){1|Si<4>}	P[3,3,4](P[3,3,4]Si[3,4,4]P[3,4,4])(Si[3,4,4]P[3,3,4]P[4,4]C)(P[3,4,4]P[3,3,4]P[4,4]){1|Si<4>}	60.1548	0.000	1	60.1548	0.000	1	60.1548	0.000	1	60.1548	0.000	1	60.1548	0.000	1	60.1548	0.000	1
872	852	882	4:SP3_SP3_SP3	Si[3,4,4]	P[3,3,4]	P[4,4]	3:3:3:3:	3:4:3:	4:3:4:	P[3,3,4]-3:P[3,3,4]-3:P[4,4]-3:C-3:	P[3,3,4]-3:Si[3,4,4]-4:P[3,4,4]-3:	Si[3,4,4]-4:P[3,4,4]-3:Si-4:	Si[3,4,4](P[3,3,4]P[3,3,4]P[3,4,4])2(P[4,4]P[3,4,4]Si)(CC[5]H)	P[3,3,4](P[3,3,4]Si[3,4,4]P[3,4,4])(Si[3,4,4]P[3,3,4]P[4,4]C)(P[3,4,4]P[3,3,4]P[4,4])	P[4,4](Si[3,4,4]P[3,3,4]2C)(P[3,4,4]P[3,3,4]2)(SiSi3)	Si[3,4,4](P[3,3,4]P[3,3,4]P[3,4,4])2(P[4,4]P[3,4,4]Si)(CC[5]H)	P[3,3,4](P[3,3,4]Si[3,4,4]P[3,4,4])(Si[3,4,4]P[3,3,4]P[4,4]C)(P[3,4,4]P[3,3,4]P[4,4]){1|Si<4>}	P[4,4](Si[3,4,4]P[3,3,4]2C)(P[3,4,4]P[3,3,4]2)(SiSi3)	95.7035	2.623	2	95.7035	6.878	2	95.7035	6.878	2	95.7035	6.878	2	95.7035	6.878	2	95.7035	6.878	2
872	852	930	0:SP3_SP2_SP3	Si[3,4,4]	P[3,3,4]	C	3:3:3:3:	3:4:3:	4:3:1:	P[3,3,4]-3:P[3,3,4]-3:P[4,4]-3:C-3:	P[3,3,4]-3:Si[3,4,4]-4:P[3,4,4]-3:	Si[3,4,4]-4:C[5]-3:H-1:	Si[3,4,4](P[3,3,4]P[3,3,4]P[3,4,4])2(P[4,4]P[3,4,4]Si)(CC[5]H)	P[3,3,4](P[3,3,4]Si[3,4,4]P[3,4,4])(Si[3,4,4]P[3,3,4]P[4,4]C)(P[3,4,4]P[3,3,4]P[4,4])	C(Si[3,4,4]P[3,3,4]2P[4,4])(C[5]N[5]2)(H)	Si[3,4,4](P[3,3,4]P[3,3,4]P[3,4,4])2(P[4,4]P[3,4,4]Si)(CC[5]H)	P[3,3,4](P[3,3,4]Si[3,4,4]P[3,4,4])(Si[3,4,4]P[3,3,4]P[4,4]C)(P[3,4,4]P[3,3,4]P[4,4]){1|Si<4>}	C(Si[3,4,4]P[3,3,4]2P[4,4])(C[5]N[5]2)(H)	131.5080	4.678	2	131.5080	21.886	2	131.5080	21.886	2	131.5080	21.886	2	131.5080	21.886	2	131.5080	21.886	2
872	853	853	3:SP3_SP2_SP2	Si[3]	C[3,6a]	C[3,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[3,6a]-3:C[3,6a]-3:C[6a]-3:C[6a]-3:	Si[3]-4:C[3,6a]-3:C[6a]-3:	Si[3]-4:C[3,6a]-3:C[6a]-3:	Si[3](C[3,6a]C[3,6a]C[6a])2(C[6a]C[6a]2)2	C[3,6a](Si[3]C[3,6a]C[6a]2)(C[3,6a]C[6a]Si[3])(C[6a]C[6a]H)	C[3,6a](Si[3]C[3,6a]C[6a]2)(C[3,6a]C[6a]Si[3])(C[6a]C[6a]H)	Si[3](C[3,6a]C[3,6a]C[6a])2(C[6a]C[6a]2)2{2|H<1>,4|C<4>,6|C<3>}	C[3,6a](Si[3]C[3,6a]C[6a]2)(C[3,6a]C[6a]Si[3])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[3,6a](Si[3]C[3,6a]C[6a]2)(C[3,6a]C[6a]Si[3])(C[6a]C[6a]H){2|H<1>,5|C<3>}	44.7060	0.000	1	44.7060	0.000	1	44.7060	0.000	1	44.7060	0.000	1	44.7060	0.000	1	44.7060	0.000	1
872	869	869	3:SP3_SP2_SP2	Si[3,5]	Si[3,6]	Si[3,6]	3:3:4:4:	4:3:4:	4:3:4:	Si[3,6]-3:Si[3,6]-3:Si[5]-4:Si[5]-4:	Si[3,5]-4:Si[3,6]-3:Si[6]-4:	Si[3,5]-4:Si[3,6]-3:Si[6]-4:	Si[3,5](Si[3,6]Si[3,6]Si[6])2(Si[5]Si[5]CC)2	Si[3,6](Si[3,5]Si[3,6]Si[5]2)(Si[3,6]Si[3,5]Si[6])(Si[6]Si[6]CC)	Si[3,6](Si[3,5]Si[3,6]Si[5]2)(Si[3,6]Si[3,5]Si[6])(Si[6]Si[6]CC)	Si[3,5](Si[3,6]Si[3,6]Si[6])2(Si[5]Si[5]CC)2{2|Si<4>,8|C<4>}	Si[3,6](Si[3,5]Si[3,6]Si[5]2)(Si[3,6]Si[3,5]Si[6])(Si[6]Si[6]CC){3|Si<4>,8|C<4>}	Si[3,6](Si[3,5]Si[3,6]Si[5]2)(Si[3,6]Si[3,5]Si[6])(Si[6]Si[6]CC){3|Si<4>,8|C<4>}	54.0345	0.000	1	54.0345	0.000	1	54.0345	0.000	1	54.0345	0.000	1	54.0345	0.000	1	54.7266	0.958	2
872	869	869	3:SP3_SP2_SP2	Si[3,5]	Si[3]	Si[3]	3:3:4:4:	4:3:4:	4:3:4:	Si[3]-3:Si[3]-3:C[5]-4:C[5]-4:	Si[3,5]-4:Si[3]-3:Si-4:	Si[3,5]-4:Si[3]-3:Si-4:	Si[3,5](Si[3]Si[3]Si)2(C[5]C[5]Si2)2	Si[3](Si[3,5]Si[3]C[5]2)(Si[3]Si[3,5]Si)(SiC3)	Si[3](Si[3,5]Si[3]C[5]2)(Si[3]Si[3,5]Si)(SiC3)	Si[3,5](Si[3]Si[3]Si)2(C[5]C[5]Si2)2{4|H<1>}	Si[3](Si[3,5]Si[3]C[5]2)(Si[3]Si[3,5]Si)(SiC3){4|Si<4>,2|C<4>}	Si[3](Si[3,5]Si[3]C[5]2)(Si[3]Si[3,5]Si)(SiC3){4|Si<4>,2|C<4>}	55.4187	0.000	1	55.4187	0.000	1	55.4187	0.000	1	55.4187	0.000	1	55.4187	0.000	1	54.7266	0.958	2
872	869	872	3:SP3_SP2_SP3	Si[3,3]	Si[3]	Si[3,3]	4:3:2:4:	4:4:4:	4:3:2:4:	Si[3,3]-4:Si[3]-3:Si[3]-2:Si-4:	Si[3,3]-4:Si[3,3]-4:Si-4:	Si[3,3]-4:Si[3]-3:Si[3]-2:Si-4:	Si[3,3](Si[3,3]Si[3]2Si)(Si[3]Si[3,3]Si)(Si[3]Si[3,3])(SiC3)	Si[3](Si[3,3]Si[3,3]Si[3]Si)2(SiC3)	Si[3,3](Si[3,3]Si[3]2Si)(Si[3]Si[3,3]Si)(Si[3]Si[3,3])(SiC3)	Si[3,3](Si[3,3]Si[3]2Si)(Si[3]Si[3,3]Si)(Si[3]Si[3,3])(SiC3)	Si[3](Si[3,3]Si[3,3]Si[3]Si)2(SiC3)	Si[3,3](Si[3,3]Si[3]2Si)(Si[3]Si[3,3]Si)(Si[3]Si[3,3])(SiC3)	60.0802	1.594	2	60.0802	2.540	2	60.0802	2.540	2	60.0802	2.540	2	60.0802	2.540	2	60.1286	1.488	5
872	869	872	3:SP3_SP2_SP3	Si[3]	Si[3]	Si[3]	4:3:3:3:	4:4:3:	4:3:3:3:	Si[3]-4:Si[3]-3:C[6a]-3:C[6a]-3:	Si[3]-4:Si[3]-4:C[6a]-3:	Si[3]-4:Si[3]-3:C[6a]-3:C[6a]-3:	Si[3](Si[3]C[6a]2Si[3])(Si[3]C[6a]Si[3])(C[6a]C[6a]2)2	Si[3](Si[3]C[6a]2Si[3])2(C[6a]C[6a]2)	Si[3](Si[3]C[6a]2Si[3])(Si[3]C[6a]Si[3])(C[6a]C[6a]2)2	Si[3](Si[3]C[6a]2Si[3])(Si[3]C[6a]Si[3])(C[6a]C[6a]2)2{10|C<3>,4|C<4>}	Si[3](Si[3]C[6a]2Si[3])2(C[6a]C[6a]2){10|C<3>,2|C<4>}	Si[3](Si[3]C[6a]2Si[3])(Si[3]C[6a]Si[3])(C[6a]C[6a]2)2{10|C<3>,4|H<1>}	58.8997	0.000	1	60.2024	3.394	2	60.2024	3.394	2	60.2024	3.394	2	60.1609	1.702	3	60.1286	1.488	5
872	869	872	3:SP3_SP2_SP3	Si[3]	Si[3]	Si[3]	4:3:3:3:	4:4:3:	4:3:3:3:	Si[3]-4:Si[3]-3:C[6a]-3:C[6a]-3:	Si[3]-4:Si[3]-4:C[6a]-3:	Si[3]-4:Si[3]-3:C[6a]-3:C[6a]-3:	Si[3](Si[3]C[6a]2Si[3])(Si[3]C[6a]Si[3])(C[6a]C[6a]2)2	Si[3](Si[3]C[6a]2Si[3])2(C[6a]C[6a]2)	Si[3](Si[3]C[6a]2Si[3])(Si[3]C[6a]Si[3])(C[6a]C[6a]2)2	Si[3](Si[3]C[6a]2Si[3])(Si[3]C[6a]Si[3])(C[6a]C[6a]2)2{10|C<3>,4|H<1>}	Si[3](Si[3]C[6a]2Si[3])2(C[6a]C[6a]2){10|C<3>,2|C<4>}	Si[3](Si[3]C[6a]2Si[3])(Si[3]C[6a]Si[3])(C[6a]C[6a]2)2{10|C<3>,4|C<4>}	61.5052	0.000	1	60.2024	3.394	2	60.2024	3.394	2	60.2024	3.394	2	60.1609	1.702	3	60.1286	1.488	5
872	869	872	3:SP3_SP2_SP3	Si[3]	Si[3]	Si[3]	4:3:4:4:	4:4:4:	4:3:4:4:	Si[3]-4:Si[3]-3:Si-4:Si-4:	Si[3]-4:Si[3]-4:Si-4:	Si[3]-4:Si[3]-3:Si-4:Si-4:	Si[3](Si[3]Si[3]Si2)(Si[3]Si[3]Si)(SiC3)2	Si[3](Si[3]Si[3]Si2)2(SiC3)	Si[3](Si[3]Si[3]Si2)(Si[3]Si[3]Si)(SiC3)2	Si[3](Si[3]Si[3]Si2)(Si[3]Si[3]Si)(SiC3)2	Si[3](Si[3]Si[3]Si2)2(SiC3)	Si[3](Si[3]Si[3]Si2)(Si[3]Si[3]Si)(SiC3)2	60.0777	0.000	1	60.0777	0.000	1	60.0777	0.000	1	60.0777	0.000	1	60.1609	1.702	3	60.1286	1.488	5
872	869	880	0:SP3_SP2_SP3	Si[3,3]	Si[3]	Si	4:3:2:4:	4:4:4:	4:4:4:4:	Si[3,3]-4:Si[3]-3:Si[3]-2:Si-4:	Si[3,3]-4:Si[3,3]-4:Si-4:	Si[3,3]-4:C-4:C-4:C-4:	Si[3,3](Si[3,3]Si[3]2Si)(Si[3]Si[3,3]Si)(Si[3]Si[3,3])(SiC3)	Si[3](Si[3,3]Si[3,3]Si[3]Si)2(SiC3)	Si(Si[3,3]Si[3,3]Si[3]2)(CSi2H)2(CH3)	Si[3,3](Si[3,3]Si[3]2Si)(Si[3]Si[3,3]Si)(Si[3]Si[3,3])(SiC3)	Si[3](Si[3,3]Si[3,3]Si[3]Si)2(SiC3)	Si(Si[3,3]Si[3,3]Si[3]2)(CSi2H)2(CH3)	146.2500	16.958	2	146.2500	287.568	2	146.2500	287.568	2	146.2500	287.568	2	146.2500	287.568	2	131.7690	360.992	6
872	869	880	0:SP3_SP2_SP3	Si[3]	Si[3]	Si	4:3:4:4:	4:4:4:	4:4:4:4:	Si[3]-4:Si[3]-3:Si-4:Si-4:	Si[3]-4:Si[3]-4:Si-4:	Si[3]-4:C-4:C-4:C-4:	Si[3](Si[3]Si[3]Si2)(Si[3]Si[3]Si)(SiC3)2	Si[3](Si[3]Si[3]Si2)2(SiC3)	Si(Si[3]Si[3]2Si)(CH3)3	Si[3](Si[3]Si[3]Si2)(Si[3]Si[3]Si)(SiC3)2	Si[3](Si[3]Si[3]Si2)2(SiC3)	Si(Si[3]Si[3]2Si)(CH3)3	124.5285	17.207	4	124.5285	296.097	4	124.5285	296.097	4	124.5285	296.097	4	124.5285	296.097	4	131.7690	360.992	6
872	869	995	0:SP3_SP1_SP2	Si[3,3]	Si[3]	Si[3]	4:3:2:4:	4:4:4:	4:4:	Si[3,3]-4:Si[3]-3:Si[3]-2:Si-4:	Si[3,3]-4:Si[3,3]-4:Si-4:	Si[3,3]-4:Si[3,3]-4:	Si[3,3](Si[3,3]Si[3]2Si)(Si[3]Si[3,3]Si)(Si[3]Si[3,3])(SiC3)	Si[3](Si[3,3]Si[3,3]Si[3]Si)2(SiC3)	Si[3](Si[3,3]Si[3,3]Si[3]Si)2	Si[3,3](Si[3,3]Si[3]2Si)(Si[3]Si[3,3]Si)(Si[3]Si[3,3])(SiC3)	Si[3](Si[3,3]Si[3,3]Si[3]Si)2(SiC3)	Si[3](Si[3,3]Si[3,3]Si[3]Si)2{1|Si<4>}	71.9496	0.086	2	71.9496	0.007	2	71.9496	0.007	2	71.9496	0.007	2	71.9496	0.007	2	71.9496	0.007	2
872	872	872	0:SP3_SP3_SP3	Si[3,3]	Si[3]	Si[3]	4:4:4:4:	4:4:4:4:	4:4:4:4:	Si[3,3]-4:Si[3]-4:Si[3]-4:Si-4:	Si[3,3]-4:Si[3,3]-4:Si-4:Si-4:	Si[3,3]-4:Si[3,3]-4:Si-4:Si-4:	Si[3,3](Si[3,3]Si[3]2Si)(Si[3]Si[3,3]Si2)2(SiC3)	Si[3](Si[3,3]Si[3,3]Si[3]Si)2(SiC3)2	Si[3](Si[3,3]Si[3,3]Si[3]Si)2(SiC3)2	Si[3,3](Si[3,3]Si[3]2Si)(Si[3]Si[3,3]Si2)2(SiC3)	Si[3](Si[3,3]Si[3,3]Si[3]Si)2(SiC3)2{2|Si<4>}	Si[3](Si[3,3]Si[3,3]Si[3]Si)2(SiC3)2{2|Si<4>}	102.8700	0.499	2	102.8700	0.249	2	102.8700	0.249	2	102.8700	0.249	2	102.8700	0.249	2	102.8700	0.249	2
872	872	872	3:SP3_SP3_SP3	Si[3,3]	Si[3,3]	Si[3]	4:4:2:4:	4:4:2:4:	4:4:4:4:	Si[3,3]-4:Si[3]-4:Se[3]-2:Si-4:	Si[3,3]-4:Si[3]-4:Se[3]-2:Si-4:	Si[3,3]-4:Si[3,3]-4:Si-4:Si-4:	Si[3,3](Si[3,3]Se[3]Si[3]Si)(Si[3]Si[3,3]Si2)(Se[3]Si[3,3])(SiC3)	Si[3,3](Si[3,3]Se[3]Si[3]Si)(Si[3]Si[3,3]Si2)(Se[3]Si[3,3])(SiC3)	Si[3](Si[3,3]Si[3,3]Se[3]Si)2(SiC3)2	Si[3,3](Si[3,3]Se[3]Si[3]Si)(Si[3]Si[3,3]Si2)(Se[3]Si[3,3])(SiC3)	Si[3,3](Si[3,3]Se[3]Si[3]Si)(Si[3]Si[3,3]Si2)(Se[3]Si[3,3])(SiC3)	Si[3](Si[3,3]Si[3,3]Se[3]Si)2(SiC3)2	61.6334	0.125	2	61.6334	0.016	2	61.6334	0.016	2	61.6334	0.016	2	60.5904	0.906	12	60.0000	1.254	42
872	872	872	3:SP3_SP3_SP3	Si[3,3]	Si[3,3]	Si[3]	4:4:3:4:	4:4:3:4:	4:4:4:4:	Si[3,3]-4:Si[3]-4:Si[3]-3:Si-4:	Si[3,3]-4:Si[3]-4:Si[3]-3:Si-4:	Si[3,3]-4:Si[3,3]-4:Si-4:Si-4:	Si[3,3](Si[3,3]Si[3]2Si)(Si[3]Si[3,3]Si2)(Si[3]Si[3,3]W)(SiC3)	Si[3,3](Si[3,3]Si[3]2Si)(Si[3]Si[3,3]Si2)(Si[3]Si[3,3]W)(SiC3)	Si[3](Si[3,3]Si[3,3]Si[3]Si)2(SiC3)2	Si[3,3](Si[3,3]Si[3]2Si)(Si[3]Si[3,3]Si2)(Si[3]Si[3,3]W)(SiC3)	Si[3,3](Si[3,3]Si[3]2Si)(Si[3]Si[3,3]Si2)(Si[3]Si[3,3]W)(SiC3)	Si[3](Si[3,3]Si[3,3]Si[3]Si)2(SiC3)2{1|W<11>}	59.3974	0.175	2	59.3974	0.030	2	59.3974	0.030	2	59.3974	0.030	2	60.5904	0.906	12	60.0000	1.254	42
872	872	872	3:SP3_SP3_SP3	Si[3,3]	Si[3,3]	Si[3]	4:4:4:4:	4:4:4:4:	4:4:4:4:	Si[3,3]-4:Si[3]-4:C[3]-4:Si-4:	Si[3,3]-4:Si[3]-4:C[3]-4:Si-4:	Si[3,3]-4:Si[3,3]-4:Si-4:Si-4:	Si[3,3](Si[3,3]Si[3]C[3]Si)(Si[3]Si[3,3]Si2)(C[3]Si[3,3]HH)(SiC3)	Si[3,3](Si[3,3]Si[3]C[3]Si)(Si[3]Si[3,3]Si2)(C[3]Si[3,3]HH)(SiC3)	Si[3](Si[3,3]Si[3,3]C[3]Si)2(SiC3)2	Si[3,3](Si[3,3]Si[3]C[3]Si)(Si[3]Si[3,3]Si2)(C[3]Si[3,3]HH)(SiC3)	Si[3,3](Si[3,3]Si[3]C[3]Si)(Si[3]Si[3,3]Si2)(C[3]Si[3,3]HH)(SiC3)	Si[3](Si[3,3]Si[3,3]C[3]Si)2(SiC3)2{2|H<1>}	61.3281	0.469	4	61.3281	0.220	4	61.3281	0.220	4	60.6278	0.699	8	60.5904	0.906	12	60.0000	1.254	42
872	872	872	3:SP3_SP3_SP3	Si[3,3]	Si[3,3]	Si[3]	4:4:4:4:	4:4:4:4:	4:4:4:4:	Si[3,3]-4:Si[3]-4:Si[3]-4:Si-4:	Si[3,3]-4:Si[3]-4:Si[3]-4:Si-4:	Si[3,3]-4:Si[3,3]-4:Si-4:Si-4:	Si[3,3](Si[3,3]Si[3]2Si)(Si[3]Si[3,3]Si2)2(SiC3)	Si[3,3](Si[3,3]Si[3]2Si)(Si[3]Si[3,3]Si2)2(SiC3)	Si[3](Si[3,3]Si[3,3]Si[3]Si)2(SiC3)2	Si[3,3](Si[3,3]Si[3]2Si)(Si[3]Si[3,3]Si2)2(SiC3)	Si[3,3](Si[3,3]Si[3]2Si)(Si[3]Si[3,3]Si2)2(SiC3)	Si[3](Si[3,3]Si[3,3]Si[3]Si)2(SiC3)2{2|Si<4>}	59.9276	0.320	4	59.9276	0.103	4	59.9276	0.103	4	60.6278	0.699	8	60.5904	0.906	12	60.0000	1.254	42
872	872	872	3:SP3_SP3_SP3	Si[3,4,4]	Si[3,4,4]	Si[3,4,4]	4:4:4:3:	4:4:4:3:	4:4:4:3:	Si[3,4,4]-4:Si[3,4,4]-4:Si[3,4,4]-4:C[6a]-3:	Si[3,4,4]-4:Si[3,4,4]-4:Si[3,4,4]-4:C[6a]-3:	Si[3,4,4]-4:Si[3,4,4]-4:Si[3,4,4]-4:C[6a]-3:	Si[3,4,4](Si[3,4,4]Si[3,4,4]2C[6a])3(C[6a]C[6a]2)	Si[3,4,4](Si[3,4,4]Si[3,4,4]2C[6a])3(C[6a]C[6a]2)	Si[3,4,4](Si[3,4,4]Si[3,4,4]2C[6a])3(C[6a]C[6a]2)	Si[3,4,4](Si[3,4,4]Si[3,4,4]2C[6a])3(C[6a]C[6a]2){10|C<3>,2|C<4>}	Si[3,4,4](Si[3,4,4]Si[3,4,4]2C[6a])3(C[6a]C[6a]2){10|C<3>,2|C<4>}	Si[3,4,4](Si[3,4,4]Si[3,4,4]2C[6a])3(C[6a]C[6a]2){10|C<3>,2|C<4>}	60.0000	0.294	6	60.0000	0.087	6	60.0000	0.087	6	60.0000	0.087	6	60.0000	0.087	6	60.0000	1.254	42
872	872	872	3:SP3_SP3_SP3	Si[3,4,4]	Si[3,4,5,5]	Si[3,4,5,5]	4:4:4:4:	4:4:3:4:	4:4:3:4:	Si[3,4,5,5]-4:Si[3,4,5,5]-4:Si[3x4,5]-4:C-4:	Si[3,4,5,5]-4:Si[3,4,4]-4:Si[4,4,5,5]-3:C-4:	Si[3,4,5,5]-4:Si[3,4,4]-4:Si[4,4,5,5]-3:C-4:	Si[3,4,4](Si[3,4,5,5]Si[3,4,5,5]Si[4,4,5,5]C)2(Si[3x4,5]Si[4,4,5,5]2C)(CC3)	Si[3,4,5,5](Si[3,4,5,5]Si[4,4,5,5]Si[3,4,4]C)(Si[3,4,4]Si[3,4,5,5]Si[3x4,5]C)(Si[4,4,5,5]Si[3x4,5]Si[4,5,5])(CC3)	Si[3,4,5,5](Si[3,4,5,5]Si[4,4,5,5]Si[3,4,4]C)(Si[3,4,4]Si[3,4,5,5]Si[3x4,5]C)(Si[4,4,5,5]Si[3x4,5]Si[4,5,5])(CC3)	Si[3,4,4](Si[3,4,5,5]Si[3,4,5,5]Si[4,4,5,5]C)2(Si[3x4,5]Si[4,4,5,5]2C)(CC3){1|Si<4>}	Si[3,4,5,5](Si[3,4,5,5]Si[4,4,5,5]Si[3,4,4]C)(Si[3,4,4]Si[3,4,5,5]Si[3x4,5]C)(Si[4,4,5,5]Si[3x4,5]Si[4,5,5])(CC3){3|C<4>}	Si[3,4,5,5](Si[3,4,5,5]Si[4,4,5,5]Si[3,4,4]C)(Si[3,4,4]Si[3,4,5,5]Si[3x4,5]C)(Si[4,4,5,5]Si[3x4,5]Si[4,5,5])(CC3){3|C<4>}	59.4955	0.000	1	59.4955	0.000	1	59.4955	0.000	1	59.4955	0.000	1	59.4955	0.000	1	60.0000	1.254	42
872	872	872	3:SP3_SP3_SP3	Si[3,4,5,5]	Si[3,4,5,5]	Si[3,4,4]	4:4:3:4:	4:4:3:4:	4:4:4:4:	Si[3,4,5,5]-4:Si[3,4,4]-4:Si[4,4,5,5]-3:C-4:	Si[3,4,5,5]-4:Si[3,4,4]-4:Si[4,4,5,5]-3:C-4:	Si[3,4,5,5]-4:Si[3,4,5,5]-4:Si[3x4,5]-4:C-4:	Si[3,4,5,5](Si[3,4,5,5]Si[4,4,5,5]Si[3,4,4]C)(Si[3,4,4]Si[3,4,5,5]Si[3x4,5]C)(Si[4,4,5,5]Si[3x4,5]Si[4,5,5])(CC3)	Si[3,4,5,5](Si[3,4,5,5]Si[4,4,5,5]Si[3,4,4]C)(Si[3,4,4]Si[3,4,5,5]Si[3x4,5]C)(Si[4,4,5,5]Si[3x4,5]Si[4,5,5])(CC3)	Si[3,4,4](Si[3,4,5,5]Si[3,4,5,5]Si[4,4,5,5]C)2(Si[3x4,5]Si[4,4,5,5]2C)(CC3)	Si[3,4,5,5](Si[3,4,5,5]Si[4,4,5,5]Si[3,4,4]C)(Si[3,4,4]Si[3,4,5,5]Si[3x4,5]C)(Si[4,4,5,5]Si[3x4,5]Si[4,5,5])(CC3){3|C<4>}	Si[3,4,5,5](Si[3,4,5,5]Si[4,4,5,5]Si[3,4,4]C)(Si[3,4,4]Si[3,4,5,5]Si[3x4,5]C)(Si[4,4,5,5]Si[3x4,5]Si[4,5,5])(CC3){3|C<4>}	Si[3,4,4](Si[3,4,5,5]Si[3,4,5,5]Si[4,4,5,5]C)2(Si[3x4,5]Si[4,4,5,5]2C)(CC3){1|Si<4>}	60.2523	0.220	2	60.2523	0.048	2	60.2523	0.048	2	60.2523	0.048	2	60.2523	0.048	2	60.0000	1.254	42
872	872	872	3:SP3_SP3_SP3	Si[3,4]	Si[3]	Si[3]	4:4:4:4:	4:4:4:4:	4:4:4:4:	Si[3]-4:Si[3]-4:Si[4]-4:Si[4]-4:	Si[3,4]-4:Si[3]-4:Si-4:Si-4:	Si[3,4]-4:Si[3]-4:Si-4:Si-4:	Si[3,4](Si[3]Si[3]Si2)2(Si[4]Si[4]Si2)2	Si[3](Si[3,4]Si[3]Si[4]2)(Si[3]Si[3,4]Si2)(SiC3)2	Si[3](Si[3,4]Si[3]Si[4]2)(Si[3]Si[3,4]Si2)(SiC3)2	Si[3,4](Si[3]Si[3]Si2)2(Si[4]Si[4]Si2)2{2|C<4>}	Si[3](Si[3,4]Si[3]Si[4]2)(Si[3]Si[3,4]Si2)(SiC3)2{5|Si<4>}	Si[3](Si[3,4]Si[3]Si[4]2)(Si[3]Si[3,4]Si2)(SiC3)2{5|Si<4>}	59.5453	0.000	1	59.5453	0.000	1	59.5453	0.000	1	59.5453	0.000	1	59.5453	0.000	1	60.0000	1.254	42
872	872	872	3:SP3_SP3_SP3	Si[3]	Si[3,3]	Si[3,3]	4:4:4:4:	4:4:2:4:	4:4:2:4:	Si[3,3]-4:Si[3,3]-4:Si-4:Si-4:	Si[3,3]-4:Si[3]-4:Se[3]-2:Si-4:	Si[3,3]-4:Si[3]-4:Se[3]-2:Si-4:	Si[3](Si[3,3]Si[3,3]Se[3]Si)2(SiC3)2	Si[3,3](Si[3,3]Se[3]Si[3]Si)(Si[3]Si[3,3]Si2)(Se[3]Si[3,3])(SiC3)	Si[3,3](Si[3,3]Se[3]Si[3]Si)(Si[3]Si[3,3]Si2)(Se[3]Si[3,3])(SiC3)	Si[3](Si[3,3]Si[3,3]Se[3]Si)2(SiC3)2	Si[3,3](Si[3,3]Se[3]Si[3]Si)(Si[3]Si[3,3]Si2)(Se[3]Si[3,3])(SiC3)	Si[3,3](Si[3,3]Se[3]Si[3]Si)(Si[3]Si[3,3]Si2)(Se[3]Si[3,3])(SiC3)	56.7330	0.000	1	56.7330	0.000	1	56.7330	0.000	1	56.7330	0.000	1	58.8193	3.587	6	60.0000	1.254	42
872	872	872	3:SP3_SP3_SP3	Si[3]	Si[3,3]	Si[3,3]	4:4:4:4:	4:4:3:4:	4:4:3:4:	Si[3,3]-4:Si[3,3]-4:Si-4:Si-4:	Si[3,3]-4:Si[3]-4:Si[3]-3:Si-4:	Si[3,3]-4:Si[3]-4:Si[3]-3:Si-4:	Si[3](Si[3,3]Si[3,3]Si[3]Si)2(SiC3)2	Si[3,3](Si[3,3]Si[3]2Si)(Si[3]Si[3,3]Si2)(Si[3]Si[3,3]W)(SiC3)	Si[3,3](Si[3,3]Si[3]2Si)(Si[3]Si[3,3]Si2)(Si[3]Si[3,3]W)(SiC3)	Si[3](Si[3,3]Si[3,3]Si[3]Si)2(SiC3)2{1|W<11>}	Si[3,3](Si[3,3]Si[3]2Si)(Si[3]Si[3,3]Si2)(Si[3]Si[3,3]W)(SiC3)	Si[3,3](Si[3,3]Si[3]2Si)(Si[3]Si[3,3]Si2)(Si[3]Si[3,3]W)(SiC3)	61.2051	0.000	1	61.2051	0.000	1	61.2051	0.000	1	61.2051	0.000	1	58.8193	3.587	6	60.0000	1.254	42
872	872	872	3:SP3_SP3_SP3	Si[3]	Si[3,3]	Si[3,3]	4:4:4:4:	4:4:4:4:	4:4:4:4:	Si[3,3]-4:Si[3,3]-4:Si-4:Si-4:	Si[3,3]-4:Si[3]-4:C[3]-4:Si-4:	Si[3,3]-4:Si[3]-4:C[3]-4:Si-4:	Si[3](Si[3,3]Si[3,3]C[3]Si)2(SiC3)2	Si[3,3](Si[3,3]Si[3]C[3]Si)(Si[3]Si[3,3]Si2)(C[3]Si[3,3]HH)(SiC3)	Si[3,3](Si[3,3]Si[3]C[3]Si)(Si[3]Si[3,3]Si2)(C[3]Si[3,3]HH)(SiC3)	Si[3](Si[3,3]Si[3,3]C[3]Si)2(SiC3)2{2|H<1>}	Si[3,3](Si[3,3]Si[3]C[3]Si)(Si[3]Si[3,3]Si2)(C[3]Si[3,3]HH)(SiC3)	Si[3,3](Si[3,3]Si[3]C[3]Si)(Si[3]Si[3,3]Si2)(C[3]Si[3,3]HH)(SiC3)	57.3439	0.139	2	57.3439	0.019	2	57.3439	0.019	2	58.7443	2.622	4	58.8193	3.587	6	60.0000	1.254	42
872	872	872	3:SP3_SP3_SP3	Si[3]	Si[3,3]	Si[3,3]	4:4:4:4:	4:4:4:4:	4:4:4:4:	Si[3,3]-4:Si[3,3]-4:Si-4:Si-4:	Si[3,3]-4:Si[3]-4:Si[3]-4:Si-4:	Si[3,3]-4:Si[3]-4:Si[3]-4:Si-4:	Si[3](Si[3,3]Si[3,3]Si[3]Si)2(SiC3)2	Si[3,3](Si[3,3]Si[3]2Si)(Si[3]Si[3,3]Si2)2(SiC3)	Si[3,3](Si[3,3]Si[3]2Si)(Si[3]Si[3,3]Si2)2(SiC3)	Si[3](Si[3,3]Si[3,3]Si[3]Si)2(SiC3)2{2|Si<4>}	Si[3,3](Si[3,3]Si[3]2Si)(Si[3]Si[3,3]Si2)2(SiC3)	Si[3,3](Si[3,3]Si[3]2Si)(Si[3]Si[3,3]Si2)2(SiC3)	60.1448	0.031	2	60.1448	0.001	2	60.1448	0.001	2	58.7443	2.622	4	58.8193	3.587	6	60.0000	1.254	42
872	872	872	3:SP3_SP3_SP3	Si[3]	Si[3]	Si[3,4]	4:4:4:4:	4:4:4:4:	4:4:4:4:	Si[3,4]-4:Si[3]-4:Si-4:Si-4:	Si[3,4]-4:Si[3]-4:Si-4:Si-4:	Si[3]-4:Si[3]-4:Si[4]-4:Si[4]-4:	Si[3](Si[3,4]Si[3]Si[4]2)(Si[3]Si[3,4]Si2)(SiC3)2	Si[3](Si[3,4]Si[3]Si[4]2)(Si[3]Si[3,4]Si2)(SiC3)2	Si[3,4](Si[3]Si[3]Si2)2(Si[4]Si[4]Si2)2	Si[3](Si[3,4]Si[3]Si[4]2)(Si[3]Si[3,4]Si2)(SiC3)2{5|Si<4>}	Si[3](Si[3,4]Si[3]Si[4]2)(Si[3]Si[3,4]Si2)(SiC3)2{5|Si<4>}	Si[3,4](Si[3]Si[3]Si2)2(Si[4]Si[4]Si2)2{2|C<4>}	60.2274	0.622	2	60.2274	0.387	2	60.2274	0.387	2	60.2274	0.387	2	60.2274	0.387	2	60.0000	1.254	42
872	872	872	3:SP3_SP3_SP3	Si[3]	Si[3]	Si[3]	4:4:3:1:	4:4:3:3:	4:4:4:4:	Si[3]-4:Si[3]-4:C[6a]-3:Cl-1:	Si[3]-4:Si[3]-4:C[6a]-3:C[6a]-3:	Si[3]-4:Si[3]-4:C-4:C-4:	Si[3](Si[3]C[6a]2Si[3])(Si[3]Si[3]CC)(C[6a]C[6a]2)(Cl)	Si[3](Si[3]C[6a]Si[3]Cl)(Si[3]Si[3]CC)(C[6a]C[6a]2)2	Si[3](Si[3]C[6a]Si[3]Cl)(Si[3]C[6a]2Si[3])(CH3)2	Si[3](Si[3]C[6a]2Si[3])(Si[3]Si[3]CC)(C[6a]C[6a]2)(Cl){2|C<4>,6|C<3>}	Si[3](Si[3]C[6a]Si[3]Cl)(Si[3]Si[3]CC)(C[6a]C[6a]2)2{4|C<4>,6|C<3>}	Si[3](Si[3]C[6a]Si[3]Cl)(Si[3]C[6a]2Si[3])(CH3)2{6|C<3>}	61.2470	0.160	2	61.2470	0.026	2	61.2470	0.026	2	61.2470	0.026	2	60.0000	0.855	12	60.0000	1.254	42
872	872	872	3:SP3_SP3_SP3	Si[3]	Si[3]	Si[3]	4:4:3:3:	4:4:3:1:	4:4:4:4:	Si[3]-4:Si[3]-4:C[6a]-3:C[6a]-3:	Si[3]-4:Si[3]-4:C[6a]-3:Cl-1:	Si[3]-4:Si[3]-4:C-4:C-4:	Si[3](Si[3]C[6a]Si[3]Cl)(Si[3]Si[3]CC)(C[6a]C[6a]2)2	Si[3](Si[3]C[6a]2Si[3])(Si[3]Si[3]CC)(C[6a]C[6a]2)(Cl)	Si[3](Si[3]C[6a]Si[3]Cl)(Si[3]C[6a]2Si[3])(CH3)2	Si[3](Si[3]C[6a]Si[3]Cl)(Si[3]Si[3]CC)(C[6a]C[6a]2)2{4|C<4>,6|C<3>}	Si[3](Si[3]C[6a]2Si[3])(Si[3]Si[3]CC)(C[6a]C[6a]2)(Cl){2|C<4>,6|C<3>}	Si[3](Si[3]C[6a]Si[3]Cl)(Si[3]C[6a]2Si[3])(CH3)2{6|C<3>}	58.3116	0.143	2	58.3116	0.021	2	58.3116	0.021	2	58.3116	0.021	2	60.0000	0.855	12	60.0000	1.254	42
872	872	872	3:SP3_SP3_SP3	Si[3]	Si[3]	Si[3]	4:4:4:4:	4:4:3:1:	4:4:3:3:	Si[3]-4:Si[3]-4:C-4:C-4:	Si[3]-4:Si[3]-4:C[6a]-3:Cl-1:	Si[3]-4:Si[3]-4:C[6a]-3:C[6a]-3:	Si[3](Si[3]C[6a]Si[3]Cl)(Si[3]C[6a]2Si[3])(CH3)2	Si[3](Si[3]C[6a]2Si[3])(Si[3]Si[3]CC)(C[6a]C[6a]2)(Cl)	Si[3](Si[3]C[6a]Si[3]Cl)(Si[3]Si[3]CC)(C[6a]C[6a]2)2	Si[3](Si[3]C[6a]Si[3]Cl)(Si[3]C[6a]2Si[3])(CH3)2{6|C<3>}	Si[3](Si[3]C[6a]2Si[3])(Si[3]Si[3]CC)(C[6a]C[6a]2)(Cl){2|C<4>,6|C<3>}	Si[3](Si[3]C[6a]Si[3]Cl)(Si[3]Si[3]CC)(C[6a]C[6a]2)2{4|C<4>,6|C<3>}	60.4414	0.017	2	60.4414	0.000	2	60.4414	0.000	2	60.4414	0.000	2	60.0000	0.855	12	60.0000	1.254	42
872	872	872	3:SP3_SP3_SP3	Si[3]	Si[3]	Si[3]	4:4:4:4:	4:4:4:4:	4:4:4:4:	Si[3]-4:Si[3]-4:Si-4:Si-4:	Si[3]-4:Si[3]-4:Si-4:Si-4:	Si[3]-4:Si[3]-4:Si-4:Si-4:	Si[3](Si[3]Si[3]Si2)2(SiC3)2	Si[3](Si[3]Si[3]Si2)2(SiC3)2	Si[3](Si[3]Si[3]Si2)2(SiC3)2	Si[3](Si[3]Si[3]Si2)2(SiC3)2	Si[3](Si[3]Si[3]Si2)2(SiC3)2	Si[3](Si[3]Si[3]Si2)2(SiC3)2	60.0000	0.175	6	60.0000	0.031	6	60.0000	0.031	6	60.0000	0.031	6	60.0000	0.855	12	60.0000	1.254	42
872	872	872	4:SP3_SP3_SP3	Si[3,4,4]	Si[3,4,4]	Si[3,4,4]	4:4:4:3:	4:4:4:3:	4:4:4:3:	Si[3,4,4]-4:Si[3,4,4]-4:Si[3,4,4]-4:C[6a]-3:	Si[3,4,4]-4:Si[3,4,4]-4:Si[3,4,4]-4:C[6a]-3:	Si[3,4,4]-4:Si[3,4,4]-4:Si[3,4,4]-4:C[6a]-3:	Si[3,4,4](Si[3,4,4]Si[3,4,4]2C[6a])3(C[6a]C[6a]2)	Si[3,4,4](Si[3,4,4]Si[3,4,4]2C[6a])3(C[6a]C[6a]2)	Si[3,4,4](Si[3,4,4]Si[3,4,4]2C[6a])3(C[6a]C[6a]2)	Si[3,4,4](Si[3,4,4]Si[3,4,4]2C[6a])3(C[6a]C[6a]2){10|C<3>,2|C<4>}	Si[3,4,4](Si[3,4,4]Si[3,4,4]2C[6a])3(C[6a]C[6a]2){10|C<3>,2|C<4>}	Si[3,4,4](Si[3,4,4]Si[3,4,4]2C[6a])3(C[6a]C[6a]2){10|C<3>,2|C<4>}	89.9928	0.503	11	89.9928	0.253	11	89.9928	0.253	11	89.9928	0.253	11	89.9928	0.253	11	89.9928	0.253	11
872	872	880	0:SP3_SP3_SP3	Si[3,3]	Si[3,3]	Si	4:3:2:4:	4:3:2:4:	4:4:4:4:	Si[3,3]-4:Si[3]-3:Si[3]-2:Si-4:	Si[3,3]-4:Si[3]-3:Si[3]-2:Si-4:	Si[3,3]-4:C-4:C-4:C-4:	Si[3,3](Si[3,3]Si[3]2Si)(Si[3]Si[3,3]Si)(Si[3]Si[3,3])(SiC3)	Si[3,3](Si[3,3]Si[3]2Si)(Si[3]Si[3,3]Si)(Si[3]Si[3,3])(SiC3)	Si(Si[3,3]Si[3,3]Si[3]2)(CSi2H)2(CH3)	Si[3,3](Si[3,3]Si[3]2Si)(Si[3]Si[3,3]Si)(Si[3]Si[3,3])(SiC3)	Si[3,3](Si[3,3]Si[3]2Si)(Si[3]Si[3,3]Si)(Si[3]Si[3,3])(SiC3)	Si(Si[3,3]Si[3,3]Si[3]2)(CSi2H)2(CH3)	138.9765	4.748	2	138.9765	22.546	2	138.9765	22.546	2	138.9765	22.546	2	144.3124	30.242	12	124.8372	170.380	84
872	872	880	0:SP3_SP3_SP3	Si[3,3]	Si[3,3]	Si	4:4:2:4:	4:4:2:4:	4:4:4:4:	Si[3,3]-4:Si[3]-4:Se[3]-2:Si-4:	Si[3,3]-4:Si[3]-4:Se[3]-2:Si-4:	Si[3,3]-4:C-4:C-4:C-4:	Si[3,3](Si[3,3]Se[3]Si[3]Si)(Si[3]Si[3,3]Si2)(Se[3]Si[3,3])(SiC3)	Si[3,3](Si[3,3]Se[3]Si[3]Si)(Si[3]Si[3,3]Si2)(Se[3]Si[3,3])(SiC3)	Si(Si[3,3]Si[3,3]Se[3]Si[3])(CC3)2(CH3)	Si[3,3](Si[3,3]Se[3]Si[3]Si)(Si[3]Si[3,3]Si2)(Se[3]Si[3,3])(SiC3)	Si[3,3](Si[3,3]Se[3]Si[3]Si)(Si[3]Si[3,3]Si2)(Se[3]Si[3,3])(SiC3)	Si(Si[3,3]Si[3,3]Se[3]Si[3])(CC3)2(CH3)	140.7615	1.961	2	140.7615	3.845	2	140.7615	3.845	2	140.7615	3.845	2	144.3124	30.242	12	124.8372	170.380	84
872	872	880	0:SP3_SP3_SP3	Si[3,3]	Si[3,3]	Si	4:4:3:4:	4:4:3:4:	4:4:4:4:	Si[3,3]-4:Si[3]-4:Si[3]-3:Si-4:	Si[3,3]-4:Si[3]-4:Si[3]-3:Si-4:	Si[3,3]-4:C-4:C-4:C-4:	Si[3,3](Si[3,3]Si[3]2Si)(Si[3]Si[3,3]Si2)(Si[3]Si[3,3]W)(SiC3)	Si[3,3](Si[3,3]Si[3]2Si)(Si[3]Si[3,3]Si2)(Si[3]Si[3,3]W)(SiC3)	Si(Si[3,3]Si[3,3]Si[3]2)(CC3)2(CH3)	Si[3,3](Si[3,3]Si[3]2Si)(Si[3]Si[3,3]Si2)(Si[3]Si[3,3]W)(SiC3)	Si[3,3](Si[3,3]Si[3]2Si)(Si[3]Si[3,3]Si2)(Si[3]Si[3,3]W)(SiC3)	Si(Si[3,3]Si[3,3]Si[3]2)(CC3)2(CH3)	141.5065	0.738	2	141.5065	0.544	2	141.5065	0.544	2	141.5065	0.544	2	144.3124	30.242	12	124.8372	170.380	84
872	872	880	0:SP3_SP3_SP3	Si[3,3]	Si[3,3]	Si	4:4:4:4:	4:4:4:4:	4:4:4:4:	Si[3,3]-4:Si[3]-4:C[3]-4:Si-4:	Si[3,3]-4:Si[3]-4:C[3]-4:Si-4:	Si[3,3]-4:C-4:C-4:C-4:	Si[3,3](Si[3,3]Si[3]C[3]Si)(Si[3]Si[3,3]Si2)(C[3]Si[3,3]HH)(SiC3)	Si[3,3](Si[3,3]Si[3]C[3]Si)(Si[3]Si[3,3]Si2)(C[3]Si[3,3]HH)(SiC3)	Si(Si[3,3]Si[3,3]Si[3]C[3])(CC3)2(CH3)	Si[3,3](Si[3,3]Si[3]C[3]Si)(Si[3]Si[3,3]Si2)(C[3]Si[3,3]HH)(SiC3)	Si[3,3](Si[3,3]Si[3]C[3]Si)(Si[3]Si[3,3]Si2)(C[3]Si[3,3]HH)(SiC3)	Si(Si[3,3]Si[3,3]Si[3]C[3])(CC3)2(CH3)	147.2947	5.915	4	147.2947	34.989	4	147.2947	34.989	4	148.2100	23.334	6	144.3124	30.242	12	124.8372	170.380	84
872	872	880	0:SP3_SP3_SP3	Si[3,3]	Si[3,3]	Si	4:4:4:4:	4:4:4:4:	4:4:4:4:	Si[3,3]-4:Si[3]-4:Si[3]-4:Si-4:	Si[3,3]-4:Si[3]-4:Si[3]-4:Si-4:	Si[3,3]-4:C-4:C-4:C-4:	Si[3,3](Si[3,3]Si[3]2Si)(Si[3]Si[3,3]Si2)2(SiC3)	Si[3,3](Si[3,3]Si[3]2Si)(Si[3]Si[3,3]Si2)2(SiC3)	Si(Si[3,3]Si[3,3]Si[3]2)(CC3)(CH3)2	Si[3,3](Si[3,3]Si[3]2Si)(Si[3]Si[3,3]Si2)2(SiC3)	Si[3,3](Si[3,3]Si[3]2Si)(Si[3]Si[3,3]Si2)2(SiC3)	Si(Si[3,3]Si[3,3]Si[3]2)(CC3)(CH3)2	150.0405	1.285	2	150.0405	1.651	2	150.0405	1.651	2	148.2100	23.334	6	144.3124	30.242	12	124.8372	170.380	84
872	872	880	0:SP3_SP3_SP3	Si[3,3]	Si[3]	Si	4:4:2:4:	4:4:4:4:	4:4:4:4:	Si[3,3]-4:Si[3]-4:Se[3]-2:Si-4:	Si[3,3]-4:Si[3,3]-4:Si-4:Si-4:	Si[3,3]-4:C-4:C-4:C-4:	Si[3,3](Si[3,3]Se[3]Si[3]Si)(Si[3]Si[3,3]Si2)(Se[3]Si[3,3])(SiC3)	Si[3](Si[3,3]Si[3,3]Se[3]Si)2(SiC3)2	Si(Si[3,3]Si[3,3]Se[3]Si[3])(CC3)2(CH3)	Si[3,3](Si[3,3]Se[3]Si[3]Si)(Si[3]Si[3,3]Si2)(Se[3]Si[3,3])(SiC3)	Si[3](Si[3,3]Si[3,3]Se[3]Si)2(SiC3)2	Si(Si[3,3]Si[3,3]Se[3]Si[3])(CC3)2(CH3)	151.2460	5.969	2	151.2460	35.634	2	151.2460	35.634	2	151.2460	35.634	2	139.5083	96.474	12	124.8372	170.380	84
872	872	880	0:SP3_SP3_SP3	Si[3,3]	Si[3]	Si	4:4:3:4:	4:4:4:4:	4:4:4:4:	Si[3,3]-4:Si[3]-4:Si[3]-3:Si-4:	Si[3,3]-4:Si[3,3]-4:Si-4:Si-4:	Si[3,3]-4:C-4:C-4:C-4:	Si[3,3](Si[3,3]Si[3]2Si)(Si[3]Si[3,3]Si2)(Si[3]Si[3,3]W)(SiC3)	Si[3](Si[3,3]Si[3,3]Si[3]Si)2(SiC3)2	Si(Si[3,3]Si[3,3]Si[3]2)(CC3)2(CH3)	Si[3,3](Si[3,3]Si[3]2Si)(Si[3]Si[3,3]Si2)(Si[3]Si[3,3]W)(SiC3)	Si[3](Si[3,3]Si[3,3]Si[3]Si)2(SiC3)2{1|W<11>}	Si(Si[3,3]Si[3,3]Si[3]2)(CC3)2(CH3)	136.1210	1.732	2	136.1210	3.001	2	136.1210	3.001	2	136.1210	3.001	2	139.5083	96.474	12	124.8372	170.380	84
872	872	880	0:SP3_SP3_SP3	Si[3,3]	Si[3]	Si	4:4:4:4:	4:4:4:4:	4:4:4:4:	Si[3,3]-4:Si[3]-4:C[3]-4:Si-4:	Si[3,3]-4:Si[3,3]-4:Si-4:Si-4:	Si[3,3]-4:C-4:C-4:C-4:	Si[3,3](Si[3,3]Si[3]C[3]Si)(Si[3]Si[3,3]Si2)(C[3]Si[3,3]HH)(SiC3)	Si[3](Si[3,3]Si[3,3]C[3]Si)2(SiC3)2	Si(Si[3,3]Si[3,3]Si[3]C[3])(CC3)2(CH3)	Si[3,3](Si[3,3]Si[3]C[3]Si)(Si[3]Si[3,3]Si2)(C[3]Si[3,3]HH)(SiC3)	Si[3](Si[3,3]Si[3,3]C[3]Si)2(SiC3)2{2|H<1>}	Si(Si[3,3]Si[3,3]Si[3]C[3])(CC3)2(CH3)	146.5863	1.643	4	146.5863	2.699	4	146.5863	2.699	4	137.4207	98.460	8	139.5083	96.474	12	124.8372	170.380	84
872	872	880	0:SP3_SP3_SP3	Si[3,3]	Si[3]	Si	4:4:4:4:	4:4:4:4:	4:4:4:4:	Si[3,3]-4:Si[3]-4:Si[3]-4:Si-4:	Si[3,3]-4:Si[3,3]-4:Si-4:Si-4:	Si[3,3]-4:C-4:C-4:C-4:	Si[3,3](Si[3,3]Si[3]2Si)(Si[3]Si[3,3]Si2)2(SiC3)	Si[3](Si[3,3]Si[3,3]Si[3]Si)2(SiC3)2	Si(Si[3,3]Si[3,3]Si[3]2)(CC3)(CH3)2	Si[3,3](Si[3,3]Si[3]2Si)(Si[3]Si[3,3]Si2)2(SiC3)	Si[3](Si[3,3]Si[3,3]Si[3]Si)2(SiC3)2{2|Si<4>}	Si(Si[3,3]Si[3,3]Si[3]2)(CC3)(CH3)2	128.2552	1.739	4	128.2552	3.024	4	128.2552	3.024	4	137.4207	98.460	8	139.5083	96.474	12	124.8372	170.380	84
872	872	880	0:SP3_SP3_SP3	Si[3]	Si[3,3]	Si	4:4:4:4:	4:4:2:4:	4:4:4:4:	Si[3,3]-4:Si[3,3]-4:Si-4:Si-4:	Si[3,3]-4:Si[3]-4:Se[3]-2:Si-4:	Si[3]-4:C-4:C-4:C-4:	Si[3](Si[3,3]Si[3,3]Se[3]Si)2(SiC3)2	Si[3,3](Si[3,3]Se[3]Si[3]Si)(Si[3]Si[3,3]Si2)(Se[3]Si[3,3])(SiC3)	Si(Si[3]Si[3,3]2Si)(CC3)2(CH3)	Si[3](Si[3,3]Si[3,3]Se[3]Si)2(SiC3)2	Si[3,3](Si[3,3]Se[3]Si[3]Si)(Si[3]Si[3,3]Si2)(Se[3]Si[3,3])(SiC3)	Si(Si[3]Si[3,3]2Si)(CC3)2(CH3)	115.5705	8.302	4	115.5705	68.920	4	115.5705	68.920	4	115.5705	68.920	4	116.3292	68.915	24	124.8372	170.380	84
872	872	880	0:SP3_SP3_SP3	Si[3]	Si[3,3]	Si	4:4:4:4:	4:4:3:4:	4:4:4:4:	Si[3,3]-4:Si[3,3]-4:Si-4:Si-4:	Si[3,3]-4:Si[3]-4:Si[3]-3:Si-4:	Si[3]-4:C-4:C-4:C-4:	Si[3](Si[3,3]Si[3,3]Si[3]Si)2(SiC3)2	Si[3,3](Si[3,3]Si[3]2Si)(Si[3]Si[3,3]Si2)(Si[3]Si[3,3]W)(SiC3)	Si(Si[3]Si[3,3]2Si)(CC3)2(CH3)	Si[3](Si[3,3]Si[3,3]Si[3]Si)2(SiC3)2{1|W<11>}	Si[3,3](Si[3,3]Si[3]2Si)(Si[3]Si[3,3]Si2)(Si[3]Si[3,3]W)(SiC3)	Si(Si[3]Si[3,3]2Si)(CC3)2(CH3)	116.5072	6.502	4	116.5072	42.272	4	116.5072	42.272	4	116.5072	42.272	4	116.3292	68.915	24	124.8372	170.380	84
872	872	880	0:SP3_SP3_SP3	Si[3]	Si[3,3]	Si	4:4:4:4:	4:4:4:4:	4:4:4:4:	Si[3,3]-4:Si[3,3]-4:Si-4:Si-4:	Si[3,3]-4:Si[3]-4:C[3]-4:Si-4:	Si[3]-4:C-4:C-4:C-4:	Si[3](Si[3,3]Si[3,3]C[3]Si)2(SiC3)2	Si[3,3](Si[3,3]Si[3]C[3]Si)(Si[3]Si[3,3]Si2)(C[3]Si[3,3]HH)(SiC3)	Si(Si[3]Si[3,3]2Si)(CC3)2(CH3)	Si[3](Si[3,3]Si[3,3]C[3]Si)2(SiC3)2{2|H<1>}	Si[3,3](Si[3,3]Si[3]C[3]Si)(Si[3]Si[3,3]Si2)(C[3]Si[3,3]HH)(SiC3)	Si(Si[3]Si[3,3]2Si)(CC3)2(CH3)	115.4480	4.869	8	115.4480	23.704	8	115.4480	23.704	8	116.4743	83.247	16	116.3292	68.915	24	124.8372	170.380	84
872	872	880	0:SP3_SP3_SP3	Si[3]	Si[3,3]	Si	4:4:4:4:	4:4:4:4:	4:4:4:4:	Si[3,3]-4:Si[3,3]-4:Si-4:Si-4:	Si[3,3]-4:Si[3]-4:Si[3]-4:Si-4:	Si[3]-4:C-4:C-4:C-4:	Si[3](Si[3,3]Si[3,3]Si[3]Si)2(SiC3)2	Si[3,3](Si[3,3]Si[3]2Si)(Si[3]Si[3,3]Si2)2(SiC3)	Si(Si[3]Si[3,3]2Si)(CC3)(CH3)2	Si[3](Si[3,3]Si[3,3]Si[3]Si)2(SiC3)2{2|Si<4>}	Si[3,3](Si[3,3]Si[3]2Si)(Si[3]Si[3,3]Si2)2(SiC3)	Si(Si[3]Si[3,3]2Si)(CC3)(CH3)2	117.5006	12.340	8	117.5006	152.274	8	117.5006	152.274	8	116.4743	83.247	16	116.3292	68.915	24	124.8372	170.380	84
872	872	880	0:SP3_SP3_SP3	Si[3]	Si[3,4]	Si	4:4:4:4:	4:4:4:4:	4:4:4:4:	Si[3,4]-4:Si[3]-4:Si-4:Si-4:	Si[3]-4:Si[3]-4:Si[4]-4:Si[4]-4:	Si[3]-4:C-4:C-4:C-4:	Si[3](Si[3,4]Si[3]Si[4]2)(Si[3]Si[3,4]Si2)(SiC3)2	Si[3,4](Si[3]Si[3]Si2)2(Si[4]Si[4]Si2)2	Si(Si[3]Si[3,4]Si[3]Si)(CC3)(CH3)2	Si[3](Si[3,4]Si[3]Si[4]2)(Si[3]Si[3,4]Si2)(SiC3)2{5|Si<4>}	Si[3,4](Si[3]Si[3]Si2)2(Si[4]Si[4]Si2)2{2|C<4>}	Si(Si[3]Si[3,4]Si[3]Si)(CC3)(CH3)2	113.4755	8.255	4	113.4755	68.152	4	113.4755	68.152	4	113.4755	68.152	4	113.4755	68.152	4	124.8372	170.380	84
872	872	880	0:SP3_SP3_SP3	Si[3]	Si[3]	Si	4:3:4:4:	4:3:4:4:	4:4:4:4:	Si[3]-4:Si[3]-3:Si-4:Si-4:	Si[3]-4:Si[3]-3:Si-4:Si-4:	Si[3]-4:C-4:C-4:C-4:	Si[3](Si[3]Si[3]Si2)(Si[3]Si[3]Si)(SiC3)2	Si[3](Si[3]Si[3]Si2)(Si[3]Si[3]Si)(SiC3)2	Si(Si[3]Si[3]2Si)(CH3)3	Si[3](Si[3]Si[3]Si2)(Si[3]Si[3]Si)(SiC3)2	Si[3](Si[3]Si[3]Si2)(Si[3]Si[3]Si)(SiC3)2	Si(Si[3]Si[3]2Si)(CH3)3	120.0565	2.254	4	120.0565	5.082	4	120.0565	5.082	4	120.0565	5.082	4	119.8336	24.809	32	124.8372	170.380	84
872	872	880	0:SP3_SP3_SP3	Si[3]	Si[3]	Si	4:4:4:4:	4:4:4:4:	4:4:4:4:	Si[3,4]-4:Si[3]-4:Si-4:Si-4:	Si[3,4]-4:Si[3]-4:Si-4:Si-4:	Si[3]-4:C-4:C-4:C-4:	Si[3](Si[3,4]Si[3]Si[4]2)(Si[3]Si[3,4]Si2)(SiC3)2	Si[3](Si[3,4]Si[3]Si[4]2)(Si[3]Si[3,4]Si2)(SiC3)2	Si(Si[3]Si[3,4]Si[3]Si)(CC3)(CH3)2	Si[3](Si[3,4]Si[3]Si[4]2)(Si[3]Si[3,4]Si2)(SiC3)2{5|Si<4>}	Si[3](Si[3,4]Si[3]Si[4]2)(Si[3]Si[3,4]Si2)(SiC3)2{5|Si<4>}	Si(Si[3]Si[3,4]Si[3]Si)(CC3)(CH3)2	122.4995	1.847	4	122.4995	3.411	4	122.4995	3.411	4	119.8017	27.912	28	119.8336	24.809	32	124.8372	170.380	84
872	872	880	0:SP3_SP3_SP3	Si[3]	Si[3]	Si	4:4:4:4:	4:4:4:4:	4:4:4:4:	Si[3]-4:Si[3]-4:Si-4:Si-4:	Si[3]-4:Si[3]-4:Si-4:Si-4:	Si[3]-4:C-4:C-4:C-4:	Si[3](Si[3]Si[3]Si2)2(SiC3)2	Si[3](Si[3]Si[3]Si2)2(SiC3)2	Si(Si[3]Si[3]2Si)(CCCH)2(CH3)	Si[3](Si[3]Si[3]Si2)2(SiC3)2	Si[3](Si[3]Si[3]Si2)2(SiC3)2	Si(Si[3]Si[3]2Si)(CCCH)2(CH3)	119.3521	5.554	24	119.3521	30.844	24	119.3521	30.844	24	119.8017	27.912	28	119.8336	24.809	32	124.8372	170.380	84
872	872	902	3:SP3_SP2_SP3	Si[3,5]	Si[3]	C[3]	4:4:4:3:	3:4:3:4:	4:4:2:	Si[3]-4:C[5]-4:C[5]-4:C[3]-3:	C[6a]-3:Si[3,5]-4:C[3]-3:C-4:	Si[3]-4:Si[3,5]-4:N-2:	Si[3,5](Si[3]C[6a]C[3]C)(C[5]C[5]Si2)2(C[3]Si[3]N)	Si[3](C[6a]C[6a,6a]C[6a])(Si[3,5]C[3]C[5]2)(C[3]Si[3,5]N)(CC3)	C[3](Si[3]Si[3,5]C[6a]C)(Si[3,5]Si[3]C[5]2)(NC[6a])	Si[3,5](Si[3]C[6a]C[3]C)(C[5]C[5]Si2)2(C[3]Si[3]N){2|C<3>,4|H<1>}	Si[3](C[6a]C[6a,6a]C[6a])(Si[3,5]C[3]C[5]2)(C[3]Si[3,5]N)(CC3){4|Si<4>,1|H<1>,2|C<4>,3|C<3>}	C[3](Si[3]Si[3,5]C[6a]C)(Si[3,5]Si[3]C[5]2)(NC[6a]){4|Si<4>,2|C<3>,2|C<4>}	52.7497	0.405	2	52.7497	0.164	2	52.7497	0.164	2	52.7497	0.164	2	52.8514	0.089	4	52.9335	0.097	8
872	872	902	3:SP3_SP2_SP3	Si[3,5]	Si[3]	C[3]	4:4:4:3:	4:3:3:4:	4:4:2:	Si[3]-4:C[5]-4:C[5]-4:C[3]-3:	Si[3,5]-4:C[6a]-3:C[3]-3:C-4:	Si[3]-4:Si[3,5]-4:N-2:	Si[3,5](Si[3]C[6a]C[3]C)(C[5]C[5]Si2)2(C[3]Si[3]N)	Si[3](Si[3,5]C[3]C[5]2)(C[6a]C[6a,6a]2)(C[3]Si[3,5]N)(CC3)	C[3](Si[3]Si[3,5]C[6a]C)(Si[3,5]Si[3]C[5]2)(NC[6a])	Si[3,5](Si[3]C[6a]C[3]C)(C[5]C[5]Si2)2(C[3]Si[3]N){2|C<3>,4|H<1>}	Si[3](Si[3,5]C[3]C[5]2)(C[6a]C[6a,6a]2)(C[3]Si[3,5]N)(CC3){4|Si<4>,2|C<4>,4|C<3>}	C[3](Si[3]Si[3,5]C[6a]C)(Si[3,5]Si[3]C[5]2)(NC[6a]){4|Si<4>,2|C<3>,2|C<4>}	52.9531	0.246	2	52.9531	0.060	2	52.9531	0.060	2	52.9531	0.060	2	52.8514	0.089	4	52.9335	0.097	8
872	872	902	3:SP3_SP2_SP3	Si[3]	Si[3,5]	C[3]	3:4:3:4:	4:4:4:3:	4:4:2:	C[6a]-3:Si[3,5]-4:C[3]-3:C-4:	Si[3]-4:C[5]-4:C[5]-4:C[3]-3:	Si[3]-4:Si[3,5]-4:N-2:	Si[3](C[6a]C[6a,6a]C[6a])(Si[3,5]C[3]C[5]2)(C[3]Si[3,5]N)(CC3)	Si[3,5](Si[3]C[6a]C[3]C)(C[5]C[5]Si2)2(C[3]Si[3]N)	C[3](Si[3]Si[3,5]C[6a]C)(Si[3,5]Si[3]C[5]2)(NC[6a])	Si[3](C[6a]C[6a,6a]C[6a])(Si[3,5]C[3]C[5]2)(C[3]Si[3,5]N)(CC3){4|Si<4>,1|H<1>,2|C<4>,3|C<3>}	Si[3,5](Si[3]C[6a]C[3]C)(C[5]C[5]Si2)2(C[3]Si[3]N){2|C<3>,4|H<1>}	C[3](Si[3]Si[3,5]C[6a]C)(Si[3,5]Si[3]C[5]2)(NC[6a]){4|Si<4>,2|C<3>,2|C<4>}	53.3091	0.111	2	53.3091	0.012	2	53.3091	0.012	2	53.3091	0.012	2	53.0157	0.120	4	52.9335	0.097	8
872	872	902	3:SP3_SP2_SP3	Si[3]	Si[3,5]	C[3]	4:3:3:4:	4:4:4:3:	4:4:2:	Si[3,5]-4:C[6a]-3:C[3]-3:C-4:	Si[3]-4:C[5]-4:C[5]-4:C[3]-3:	Si[3]-4:Si[3,5]-4:N-2:	Si[3](Si[3,5]C[3]C[5]2)(C[6a]C[6a,6a]2)(C[3]Si[3,5]N)(CC3)	Si[3,5](Si[3]C[6a]C[3]C)(C[5]C[5]Si2)2(C[3]Si[3]N)	C[3](Si[3]Si[3,5]C[6a]C)(Si[3,5]Si[3]C[5]2)(NC[6a])	Si[3](Si[3,5]C[3]C[5]2)(C[6a]C[6a,6a]2)(C[3]Si[3,5]N)(CC3){4|Si<4>,2|C<4>,4|C<3>}	Si[3,5](Si[3]C[6a]C[3]C)(C[5]C[5]Si2)2(C[3]Si[3]N){2|C<3>,4|H<1>}	C[3](Si[3]Si[3,5]C[6a]C)(Si[3,5]Si[3]C[5]2)(NC[6a]){4|Si<4>,2|C<3>,2|C<4>}	52.7223	0.057	2	52.7223	0.003	2	52.7223	0.003	2	52.7223	0.003	2	53.0157	0.120	4	52.9335	0.097	8
872	872	995	3:SP3_SP1_SP3	Si[3,3]	Si[3,3]	Si[3]	4:3:2:4:	4:3:2:4:	4:4:	Si[3,3]-4:Si[3]-3:Si[3]-2:Si-4:	Si[3,3]-4:Si[3]-3:Si[3]-2:Si-4:	Si[3,3]-4:Si[3,3]-4:	Si[3,3](Si[3,3]Si[3]2Si)(Si[3]Si[3,3]Si)(Si[3]Si[3,3])(SiC3)	Si[3,3](Si[3,3]Si[3]2Si)(Si[3]Si[3,3]Si)(Si[3]Si[3,3])(SiC3)	Si[3](Si[3,3]Si[3,3]Si[3]Si)2	Si[3,3](Si[3,3]Si[3]2Si)(Si[3]Si[3,3]Si)(Si[3]Si[3,3])(SiC3)	Si[3,3](Si[3,3]Si[3]2Si)(Si[3]Si[3,3]Si)(Si[3]Si[3,3])(SiC3)	Si[3](Si[3,3]Si[3,3]Si[3]Si)2{1|Si<4>}	59.9545	1.397	2	59.9545	1.951	2	59.9545	1.951	2	59.9545	1.951	2	59.9545	1.951	2	59.9545	1.951	2
872	872	996	0:SP3_SP3_SP3	Si[3,4]	Si[3]	Si[4]	4:4:4:4:	4:4:4:4:	4:4:4:4:	Si[3]-4:Si[3]-4:Si[4]-4:Si[4]-4:	Si[3,4]-4:Si[3]-4:Si-4:Si-4:	Si[3,4]-4:Si[4]-4:Si-4:Si-4:	Si[3,4](Si[3]Si[3]Si2)2(Si[4]Si[4]Si2)2	Si[3](Si[3,4]Si[3]Si[4]2)(Si[3]Si[3,4]Si2)(SiC3)2	Si[4](Si[3,4]Si[3]2Si[4])(Si[4]Si[4]CC)(SiC3)2	Si[3,4](Si[3]Si[3]Si2)2(Si[4]Si[4]Si2)2{2|C<4>}	Si[3](Si[3,4]Si[3]Si[4]2)(Si[3]Si[3,4]Si2)(SiC3)2{5|Si<4>}	Si[4](Si[3,4]Si[3]2Si[4])(Si[4]Si[4]CC)(SiC3)2{6|Si<4>}	127.9633	2.817	4	127.9633	7.936	4	127.9633	7.936	4	127.9633	7.936	4	127.9633	7.936	4	127.9633	7.936	4
872	872	996	4:SP3_SP3_SP3	Si[3,4,4]	Si[3,4,5,5]	Si[3x4,5]	4:4:4:4:	4:4:3:4:	3:3:4:4:	Si[3,4,5,5]-4:Si[3,4,5,5]-4:Si[3x4,5]-4:C-4:	Si[3,4,5,5]-4:Si[3,4,4]-4:Si[4,4,5,5]-3:C-4:	Si[4,4,5,5]-3:Si[4,4,5,5]-3:Si[3,4,4]-4:C-4:	Si[3,4,4](Si[3,4,5,5]Si[3,4,5,5]Si[4,4,5,5]C)2(Si[3x4,5]Si[4,4,5,5]2C)(CC3)	Si[3,4,5,5](Si[3,4,5,5]Si[4,4,5,5]Si[3,4,4]C)(Si[3,4,4]Si[3,4,5,5]Si[3x4,5]C)(Si[4,4,5,5]Si[3x4,5]Si[4,5,5])(CC3)	Si[3x4,5](Si[4,4,5,5]Si[3,4,5,5]Si[4,5,5])2(Si[3,4,4]Si[3,4,5,5]2C)(CC3)	Si[3,4,4](Si[3,4,5,5]Si[3,4,5,5]Si[4,4,5,5]C)2(Si[3x4,5]Si[4,4,5,5]2C)(CC3){1|Si<4>}	Si[3,4,5,5](Si[3,4,5,5]Si[4,4,5,5]Si[3,4,4]C)(Si[3,4,4]Si[3,4,5,5]Si[3x4,5]C)(Si[4,4,5,5]Si[3x4,5]Si[4,5,5])(CC3){3|C<4>}	Si[3x4,5](Si[4,4,5,5]Si[3,4,5,5]Si[4,5,5])2(Si[3,4,4]Si[3,4,5,5]2C)(CC3){4|C<4>}	90.6577	0.543	2	90.6577	0.295	2	90.6577	0.295	2	90.6577	0.295	2	90.6577	0.295	2	90.6577	0.295	2
872	880	880	0:SP3_SP3_SP3	Si[3]	Si	Si	4:3:4:4:	4:4:4:4:	4:4:4:4:	Si[3]-4:Si[3]-3:Si-4:Si-4:	Si[3]-4:C-4:C-4:C-4:	Si[3]-4:C-4:C-4:C-4:	Si[3](Si[3]Si[3]Si2)(Si[3]Si[3]Si)(SiC3)2	Si(Si[3]Si[3]2Si)(CH3)3	Si(Si[3]Si[3]2Si)(CH3)3	Si[3](Si[3]Si[3]Si2)(Si[3]Si[3]Si)(SiC3)2	Si(Si[3]Si[3]2Si)(CH3)3	Si(Si[3]Si[3]2Si)(CH3)3	103.7475	1.470	2	103.7475	2.161	2	103.7475	2.161	2	103.7475	2.161	2	114.1976	46.854	18	114.1976	46.854	18
872	880	880	0:SP3_SP3_SP3	Si[3]	Si	Si	4:4:4:4:	4:4:4:4:	4:4:4:4:	C[3]-4:C[3]-4:Si-4:Si-4:	Si[3]-4:Si-4:Si-4:Si-4:	Si[3]-4:C-4:C-4:C-4:	Si[3](C[3]C[3]HH)2(SiSi3)(SiC3)	Si(Si[3]C[3]2Si)(SiC3)3	Si(Si[3]C[3]2Si)(CC3)3	Si[3](C[3]C[3]HH)2(SiSi3)(SiC3)	Si(Si[3]C[3]2Si)(SiC3)3	Si(Si[3]C[3]2Si)(CC3)3	131.6540	0.000	1	131.6540	0.000	1	131.6540	0.000	1	115.5038	36.577	16	114.1976	46.854	18	114.1976	46.854	18
872	880	880	0:SP3_SP3_SP3	Si[3]	Si	Si	4:4:4:4:	4:4:4:4:	4:4:4:4:	Si[3,3]-4:Si[3,3]-4:Si-4:Si-4:	Si[3]-4:C-4:C-4:C-4:	Si[3]-4:C-4:C-4:C-4:	Si[3](Si[3,3]Si[3,3]C[3]Si)2(SiC3)2	Si(Si[3]Si[3,3]2Si)(CC3)2(CH3)	Si(Si[3]Si[3,3]2Si)(CC3)2(CH3)	Si[3](Si[3,3]Si[3,3]C[3]Si)2(SiC3)2{2|H<1>}	Si(Si[3]Si[3,3]2Si)(CC3)2(CH3)	Si(Si[3]Si[3,3]2Si)(CC3)2(CH3)	121.1810	0.488	2	121.1810	0.238	2	117.5273	19.271	6	115.5038	36.577	16	114.1976	46.854	18	114.1976	46.854	18
872	880	880	0:SP3_SP3_SP3	Si[3]	Si	Si	4:4:4:4:	4:4:4:4:	4:4:4:4:	Si[3,3]-4:Si[3,3]-4:Si-4:Si-4:	Si[3]-4:C-4:C-4:C-4:	Si[3]-4:C-4:C-4:C-4:	Si[3](Si[3,3]Si[3,3]Se[3]Si)2(SiC3)2	Si(Si[3]Si[3,3]2Si)(CC3)2(CH3)	Si(Si[3]Si[3,3]2Si)(CC3)2(CH3)	Si[3](Si[3,3]Si[3,3]Se[3]Si)2(SiC3)2	Si(Si[3]Si[3,3]2Si)(CC3)2(CH3)	Si(Si[3]Si[3,3]2Si)(CC3)2(CH3)	121.0650	0.000	1	121.0650	0.000	1	117.5273	19.271	6	115.5038	36.577	16	114.1976	46.854	18	114.1976	46.854	18
872	880	880	0:SP3_SP3_SP3	Si[3]	Si	Si	4:4:4:4:	4:4:4:4:	4:4:4:4:	Si[3,3]-4:Si[3,3]-4:Si-4:Si-4:	Si[3]-4:C-4:C-4:C-4:	Si[3]-4:C-4:C-4:C-4:	Si[3](Si[3,3]Si[3,3]Si[3]Si)2(SiC3)2	Si(Si[3]Si[3,3]2Si)(CC3)(CH3)2	Si(Si[3]Si[3,3]2Si)(CC3)(CH3)2	Si[3](Si[3,3]Si[3,3]Si[3]Si)2(SiC3)2{2|Si<4>}	Si(Si[3]Si[3,3]2Si)(CC3)(CH3)2	Si(Si[3]Si[3,3]2Si)(CC3)(CH3)2	112.2305	0.852	2	112.2305	0.726	2	117.5273	19.271	6	115.5038	36.577	16	114.1976	46.854	18	114.1976	46.854	18
872	880	880	0:SP3_SP3_SP3	Si[3]	Si	Si	4:4:4:4:	4:4:4:4:	4:4:4:4:	Si[3,3]-4:Si[3,3]-4:Si-4:Si-4:	Si[3]-4:C-4:C-4:C-4:	Si[3]-4:C-4:C-4:C-4:	Si[3](Si[3,3]Si[3,3]Si[3]Si)2(SiC3)2	Si(Si[3]Si[3,3]2Si)(CC3)2(CH3)	Si(Si[3]Si[3,3]2Si)(CC3)2(CH3)	Si[3](Si[3,3]Si[3,3]Si[3]Si)2(SiC3)2{1|W<11>}	Si(Si[3]Si[3,3]2Si)(CC3)2(CH3)	Si(Si[3]Si[3,3]2Si)(CC3)2(CH3)	117.2760	0.000	1	117.2760	0.000	1	117.5273	19.271	6	115.5038	36.577	16	114.1976	46.854	18	114.1976	46.854	18
872	880	880	0:SP3_SP3_SP3	Si[3]	Si	Si	4:4:4:4:	4:4:4:4:	4:4:4:4:	Si[3,4]-4:Si[3]-4:Si-4:Si-4:	Si[3]-4:C-4:C-4:C-4:	Si[3]-4:C-4:C-4:C-4:	Si[3](Si[3,4]Si[3]Si[4]2)(Si[3]Si[3,4]Si2)(SiC3)2	Si(Si[3]Si[3,4]Si[3]Si)(CC3)(CH3)2	Si(Si[3]Si[3,4]Si[3]Si)(CC3)(CH3)2	Si[3](Si[3,4]Si[3]Si[4]2)(Si[3]Si[3,4]Si2)(SiC3)2{5|Si<4>}	Si(Si[3]Si[3,4]Si[3]Si)(CC3)(CH3)2	Si(Si[3]Si[3,4]Si[3]Si)(CC3)(CH3)2	112.2420	2.322	2	112.2420	5.392	2	112.2420	5.392	2	115.5038	36.577	16	114.1976	46.854	18	114.1976	46.854	18
872	880	880	0:SP3_SP3_SP3	Si[3]	Si	Si	4:4:4:4:	4:4:4:4:	4:4:4:4:	Si[3]-4:Si[3]-4:Si-4:Si-4:	Si[3]-4:C-4:C-4:C-4:	Si[3]-4:C-4:C-4:C-4:	Si[3](Si[3]Si[3]Si2)2(SiC3)2	Si(Si[3]Si[3]2Si)(CCCH)2(CH3)	Si(Si[3]Si[3]2Si)(CCCH)2(CH3)	Si[3](Si[3]Si[3]Si2)2(SiC3)2	Si(Si[3]Si[3]2Si)(CCCH)2(CH3)	Si(Si[3]Si[3]2Si)(CCCH)2(CH3)	111.1088	0.794	6	111.1088	0.630	6	112.3941	12.090	7	115.5038	36.577	16	114.1976	46.854	18	114.1976	46.854	18
872	880	880	0:SP3_SP3_SP3	Si[3]	Si	Si	4:4:4:4:	4:4:4:4:	4:4:4:4:	Si[3]-4:Si[3]-4:Si-4:Si-4:	Si[3]-4:C-4:C-4:C-4:	Si[3]-4:C-4:C-4:C-4:	Si[3](Si[3]Si[3]SiTe)2(SiC3)2	Si(Si[3]Si[3]2Si)(CC3)2(CH3)	Si(Si[3]Si[3]2Si)(CC3)2(CH3)	Si[3](Si[3]Si[3]SiTe)2(SiC3)2	Si(Si[3]Si[3]2Si)(CC3)2(CH3)	Si(Si[3]Si[3]2Si)(CC3)2(CH3)	120.1060	0.000	1	120.1060	0.000	1	112.3941	12.090	7	115.5038	36.577	16	114.1976	46.854	18	114.1976	46.854	18
872	880	902	0:SP3_SP2_SP3	Si[3]	Si	C[3]	3:3:2:4:	4:4:4:4:	3:4:3:	C[3]-3:C[3]-3:N-2:Si-4:	Si[3]-4:C-4:C-4:C-4:	C[3]-3:Si[3]-4:C[6a]-3:	Si[3](C[3]C[6a]C[3])2(NC[5])(SiC3)	Si(Si[3]C[3]2N)(CC3)2(CH3)	C[3](C[3]C[6a]Si[3])(Si[3]C[3]SiN)(C[6a]C[6a]2)	Si[3](C[3]C[6a]C[3])2(NC[5])(SiC3){4|C<3>}	Si(Si[3]C[3]2N)(CC3)2(CH3)	C[3](C[3]C[6a]Si[3])(Si[3]C[3]SiN)(C[6a]C[6a]2){2|H<1>,4|C<3>}	122.7180	1.269	2	122.7180	1.609	2	122.7180	1.609	2	122.7180	1.609	2	117.5565	18.874	6	117.5565	18.874	6
872	880	902	0:SP3_SP2_SP3	Si[3]	Si	C[3]	3:3:3:4:	4:4:4:4:	3:4:1:	C[3]-3:C[3]-3:N-3:Si-4:	Si[3]-4:Si-4:Si-4:Si-4:	C[3]-3:Si[3]-4:H-1:	Si[3](C[3]C[6a]C[3])(C[3]C[3]H)(NC[6a]Si)(SiSi3)	Si(Si[3]C[3]2N)(SiC3)3	C[3](C[3]C[6a]Si[3])(Si[3]C[3]SiN)(H)	Si[3](C[3]C[6a]C[3])(C[3]C[3]H)(NC[6a]Si)(SiSi3){2|C<3>}	Si(Si[3]C[3]2N)(SiC3)3	C[3](C[3]C[6a]Si[3])(Si[3]C[3]SiN)(H){2|C<3>}	112.6950	0.000	1	112.6950	0.000	1	112.6950	0.000	1	112.6950	0.000	1	117.5565	18.874	6	117.5565	18.874	6
872	880	902	0:SP3_SP2_SP3	Si[3]	Si	C[3]	3:3:3:4:	4:4:4:4:	3:4:3:	C[3]-3:C[3]-3:N-3:Si-4:	Si[3]-4:Si-4:Si-4:Si-4:	C[3]-3:Si[3]-4:C[6a]-3:	Si[3](C[3]C[6a]C[3])2(NC[6a]Si)(SiSi3)	Si(Si[3]C[3]2N)(SiC3)3	C[3](C[3]C[6a]Si[3])(Si[3]C[3]SiN)(C[6a]C[6a]2)	Si[3](C[3]C[6a]C[3])2(NC[6a]Si)(SiSi3){4|C<3>}	Si(Si[3]C[3]2N)(SiC3)3	C[3](C[3]C[6a]Si[3])(Si[3]C[3]SiN)(C[6a]C[6a]2){2|H<1>,4|C<3>}	115.9890	2.349	2	115.9890	5.518	2	115.9890	5.518	2	115.9890	5.518	2	117.5565	18.874	6	117.5565	18.874	6
872	880	902	0:SP3_SP2_SP3	Si[3]	Si	C[3]	3:3:3:4:	4:4:4:4:	4:3:3:	C[3]-3:C[3]-3:N-3:Si-4:	Si[3]-4:Si-4:Si-4:Si-4:	Si[3]-4:C[6a]-3:C[3]-3:	Si[3](C[3]C[6a]C[3])(C[3]C[3]H)(NC[6a]Si)(SiSi3)	Si(Si[3]C[3]2N)(SiC3)3	C[3](Si[3]C[3]SiN)(C[6a]C[6a]2)(C[3]Si[3]H)	Si[3](C[3]C[6a]C[3])(C[3]C[3]H)(NC[6a]Si)(SiSi3){2|C<3>}	Si(Si[3]C[3]2N)(SiC3)3	C[3](Si[3]C[3]SiN)(C[6a]C[6a]2)(C[3]Si[3]H){2|C<3>,2|H<1>}	115.2300	0.000	1	115.2300	0.000	1	115.2300	0.000	1	115.2300	0.000	1	117.5565	18.874	6	117.5565	18.874	6
872	880	941	0:SP3_SP2_SP3	Si[3]	Si	N	3:3:2:4:	4:4:4:4:	4:3:	C[3]-3:C[3]-3:N-2:Si-4:	Si[3]-4:C-4:C-4:C-4:	Si[3]-4:C[5]-3:	Si[3](C[3]C[6a]C[3])2(NC[5])(SiC3)	Si(Si[3]C[3]2N)(CC3)2(CH3)	N(Si[3]C[3]2Si)(C[5]N[5]2)	Si[3](C[3]C[6a]C[3])2(NC[5])(SiC3){4|C<3>}	Si(Si[3]C[3]2N)(CC3)2(CH3)	N(Si[3]C[3]2Si)(C[5]N[5]2)	107.5890	0.000	1	107.5890	0.000	1	107.5890	0.000	1	107.5890	0.000	1	107.5890	0.000	1	107.5890	0.000	1
872	880	956	0:SP3_SP2_SP3	Si[3]	Si	N	3:3:3:4:	4:4:4:4:	4:3:4:	C[3]-3:C[3]-3:N-3:Si-4:	Si[3]-4:Si-4:Si-4:Si-4:	Si[3]-4:C[6a]-3:Si-4:	Si[3](C[3]C[6a]C[3])(C[3]C[3]H)(NC[6a]Si)(SiSi3)	Si(Si[3]C[3]2N)(SiC3)3	N(Si[3]C[3]2Si)(C[6a]C[6a]2)(SiC3)	Si[3](C[3]C[6a]C[3])(C[3]C[3]H)(NC[6a]Si)(SiSi3){2|C<3>}	Si(Si[3]C[3]2N)(SiC3)3	N(Si[3]C[3]2Si)(C[6a]C[6a]2)(SiC3)	125.1310	0.000	1	125.1310	0.000	1	123.9325	2.873	2	123.9325	2.873	2	124.9143	4.328	3	124.9143	4.328	3
872	880	956	0:SP3_SP2_SP3	Si[3]	Si	N	3:3:3:4:	4:4:4:4:	4:3:4:	C[3]-3:C[3]-3:N-3:Si-4:	Si[3]-4:Si-4:Si-4:Si-4:	Si[3]-4:C[6a]-3:Si-4:	Si[3](C[3]C[6a]C[3])2(NC[6a]Si)(SiSi3)	Si(Si[3]C[3]2N)(SiC3)3	N(Si[3]C[3]2Si)(C[6a]C[6a]2)(SiC3)	Si[3](C[3]C[6a]C[3])2(NC[6a]Si)(SiSi3){4|C<3>}	Si(Si[3]C[3]2N)(SiC3)3	N(Si[3]C[3]2Si)(C[6a]C[6a]2)(SiC3)	122.7340	0.000	1	122.7340	0.000	1	123.9325	2.873	2	123.9325	2.873	2	124.9143	4.328	3	124.9143	4.328	3
872	880	956	0:SP3_SP2_SP3	Si[3]	Si	N	4:4:3:4:	4:4:4:4:	4:3:4:	C[3]-4:C[3]-4:N-3:Si-4:	Si[3]-4:Si-4:Si-4:Si-4:	Si[3]-4:C[6a]-3:Si-4:	Si[3](C[3]C[3]HH)2(NC[6a]Si)(SiSi3)	Si(Si[3]C[3]2N)(SiC3)3	N(Si[3]C[3]2Si)(C[6a]C[6a]2)(SiC3)	Si[3](C[3]C[3]HH)2(NC[6a]Si)(SiSi3)	Si(Si[3]C[3]2N)(SiC3)3	N(Si[3]C[3]2Si)(C[6a]C[6a]2)(SiC3)	126.8780	0.000	1	126.8780	0.000	1	126.8780	0.000	1	126.8780	0.000	1	124.9143	4.328	3	124.9143	4.328	3
872	880	995	0:SP3_SP1_SP3	Si[3,3]	Si	Si[3]	4:3:2:4:	4:4:4:4:	4:4:	Si[3,3]-4:Si[3]-3:Si[3]-2:Si-4:	Si[3,3]-4:C-4:C-4:C-4:	Si[3,3]-4:Si[3,3]-4:	Si[3,3](Si[3,3]Si[3]2Si)(Si[3]Si[3,3]Si)(Si[3]Si[3,3])(SiC3)	Si(Si[3,3]Si[3,3]Si[3]2)(CSi2H)2(CH3)	Si[3](Si[3,3]Si[3,3]Si[3]Si)2	Si[3,3](Si[3,3]Si[3]2Si)(Si[3]Si[3,3]Si)(Si[3]Si[3,3])(SiC3)	Si(Si[3,3]Si[3,3]Si[3]2)(CSi2H)2(CH3)	Si[3](Si[3,3]Si[3,3]Si[3]Si)2{1|Si<4>}	137.4365	15.513	2	137.4365	240.660	2	137.4365	240.660	2	137.4365	240.660	2	137.4365	240.660	2	137.4365	240.660	2
872	881	962	3:SP3_SP3_SPD5	Si[3,6]	Si[3,4]	O[3]	5:4:2:2:	4:3:2:3:3:	5:4:	Si[3,4]-5:Si[6]-4:O[3]-2:O[6]-2:	Si[3,6]-4:C[6a]-3:O[3]-2:N[4]-3:N[4]-3:	Si[3,4]-5:Si[3,6]-4:	Si[3,6](Si[3,4]C[6a]N[4]2O[3])(Si[6]C[6a]O[6]N)(O[3]Si[3,4])(O[6]Si[6])	Si[3,4](Si[3,6]Si[6]O[3]O[6])(C[6a]C[6,6a]C[6a])(O[3]Si[3,6])(N[4]C[4]C)2	O[3](Si[3,4]Si[3,6]C[6a]N[4]2)(Si[3,6]Si[3,4]Si[6]O[6])	Si[3,6](Si[3,4]C[6a]N[4]2O[3])(Si[6]C[6a]O[6]N)(O[3]Si[3,4])(O[6]Si[6]){1|Si<4>,1|N<3>,2|C<4>,6|C<3>}	Si[3,4](Si[3,6]Si[6]O[3]O[6])(C[6a]C[6,6a]C[6a])(O[3]Si[3,6])(N[4]C[4]C)2{1|Si<4>,1|H<1>,1|N<3>,2|O<2>,4|C<3>}	O[3](Si[3,4]Si[3,6]C[6a]N[4]2)(Si[3,6]Si[3,4]Si[6]O[6]){1|Si<4>,1|N<3>,1|O<2>,2|C<4>,4|C<3>}	46.7728	0.000	1	46.7728	0.000	1	46.7728	0.000	1	46.7728	0.000	1	46.7728	0.000	1	46.7728	0.000	1
872	882	930	0:SP3_SP2_SP3	Si[3,4,4]	P[4,4]	C	3:3:3:3:	4:3:4:	4:3:1:	P[3,3,4]-3:P[3,3,4]-3:P[4,4]-3:C-3:	Si[3,4,4]-4:P[3,4,4]-3:Si-4:	Si[3,4,4]-4:C[5]-3:H-1:	Si[3,4,4](P[3,3,4]P[3,3,4]P[3,4,4])2(P[4,4]P[3,4,4]Si)(CC[5]H)	P[4,4](Si[3,4,4]P[3,3,4]2C)(P[3,4,4]P[3,3,4]2)(SiSi3)	C(Si[3,4,4]P[3,3,4]2P[4,4])(C[5]N[5]2)(H)	Si[3,4,4](P[3,3,4]P[3,3,4]P[3,4,4])2(P[4,4]P[3,4,4]Si)(CC[5]H)	P[4,4](Si[3,4,4]P[3,3,4]2C)(P[3,4,4]P[3,3,4]2)(SiSi3)	C(Si[3,4,4]P[3,3,4]2P[4,4])(C[5]N[5]2)(H)	123.4340	0.000	1	123.4340	0.000	1	123.4340	0.000	1	123.4340	0.000	1	123.4340	0.000	1	123.4340	0.000	1
872	902	902	3:SP3_SP2_SP2	Si[3]	C[3]	C[3]	3:3:2:2:	3:4:3:	3:4:3:	C[3]-3:C[3]-3:S-2:S-2:	C[3]-3:Si[3]-4:C[6a]-3:	C[3]-3:Si[3]-4:C[6a]-3:	Si[3](C[3]C[6a]C[3])2(SC[6a])2	C[3](C[3]C[6a]Si[3])(Si[3]C[3]SS)(C[6a]C[6a]2)	C[3](C[3]C[6a]Si[3])(Si[3]C[3]SS)(C[6a]C[6a]2)	Si[3](C[3]C[6a]C[3])2(SC[6a])2{4|C<3>}	C[3](C[3]C[6a]Si[3])(Si[3]C[3]SS)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[3](C[3]C[6a]Si[3])(Si[3]C[3]SS)(C[6a]C[6a]2){2|H<1>,4|C<3>}	43.8998	0.000	1	43.8998	0.000	1	43.8998	0.000	1	43.8998	0.000	1	43.4539	0.101	7	43.4539	0.101	7
872	902	902	3:SP3_SP2_SP2	Si[3]	C[3]	C[3]	3:3:2:4:	3:4:3:	3:4:3:	C[3]-3:C[3]-3:N-2:Si-4:	C[3]-3:Si[3]-4:C[6a]-3:	C[3]-3:Si[3]-4:C[6a]-3:	Si[3](C[3]C[6a]C[3])2(NC[5])(SiC3)	C[3](C[3]C[6a]Si[3])(Si[3]C[3]SiN)(C[6a]C[6a]2)	C[3](C[3]C[6a]Si[3])(Si[3]C[3]SiN)(C[6a]C[6a]2)	Si[3](C[3]C[6a]C[3])2(NC[5])(SiC3){4|C<3>}	C[3](C[3]C[6a]Si[3])(Si[3]C[3]SiN)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[3](C[3]C[6a]Si[3])(Si[3]C[3]SiN)(C[6a]C[6a]2){2|H<1>,4|C<3>}	43.0807	0.000	1	43.0807	0.000	1	43.0807	0.000	1	43.0807	0.000	1	43.4539	0.101	7	43.4539	0.101	7
872	902	902	3:SP3_SP2_SP2	Si[3]	C[3]	C[3]	3:3:3:1:	4:3:4:	4:3:4:	C[6a]-3:C[3]-3:C[3]-3:Br-1:	Si[3]-4:C[3]-3:C-4:	Si[3]-4:C[3]-3:C-4:	Si[3](C[6a]C[6a]2)(C[3]C[3]C)2(Br)	C[3](Si[3]C[6a]C[3]Br)(C[3]Si[3]C)(CCHH)	C[3](Si[3]C[6a]C[3]Br)(C[3]Si[3]C)(CCHH)	Si[3](C[6a]C[6a]2)(C[3]C[3]C)2(Br){2|C<3>,2|C<4>}	C[3](Si[3]C[6a]C[3]Br)(C[3]Si[3]C)(CCHH){2|C<3>}	C[3](Si[3]C[6a]C[3]Br)(C[3]Si[3]C)(CCHH){2|C<3>}	43.6154	0.000	1	43.6154	0.000	1	43.7060	0.016	2	43.7060	0.016	2	43.4539	0.101	7	43.4539	0.101	7
872	902	902	3:SP3_SP2_SP2	Si[3]	C[3]	C[3]	3:3:3:1:	4:3:4:	4:3:4:	C[6a]-3:C[3]-3:C[3]-3:Br-1:	Si[3]-4:C[3]-3:C-4:	Si[3]-4:C[3]-3:C-4:	Si[3](C[6a]C[6a]2)(C[3]C[3]C)2(Br)	C[3](Si[3]C[6a]C[3]Br)(C[3]Si[3]C)(CHHN)	C[3](Si[3]C[6a]C[3]Br)(C[3]Si[3]C)(CHHN)	Si[3](C[6a]C[6a]2)(C[3]C[3]C)2(Br){2|C<3>,2|C<4>}	C[3](Si[3]C[6a]C[3]Br)(C[3]Si[3]C)(CHHN){2|C<3>}	C[3](Si[3]C[6a]C[3]Br)(C[3]Si[3]C)(CHHN){2|C<3>}	43.7965	0.000	1	43.7965	0.000	1	43.7060	0.016	2	43.7060	0.016	2	43.4539	0.101	7	43.4539	0.101	7
872	902	902	3:SP3_SP2_SP2	Si[3]	C[3]	C[3]	3:3:3:3:	4:3:3:	4:3:3:	C[3]-3:C[3]-3:C[5]-3:C-3:	Si[3]-4:C[3]-3:C[6a]-3:	Si[3]-4:C[3]-3:C[6a]-3:	Si[3](C[3]C[6a]C[3])2(C[5]N[5]2)(CSi2)	C[3](Si[3]C[3]C[5]C)(C[3]C[6a]Si[3])(C[6a]C[6a]2)	C[3](Si[3]C[3]C[5]C)(C[3]C[6a]Si[3])(C[6a]C[6a]2)	Si[3](C[3]C[6a]C[3])2(C[5]N[5]2)(CSi2){2|C<4>,6|C<3>}	C[3](Si[3]C[3]C[5]C)(C[3]C[6a]Si[3])(C[6a]C[6a]2){2|H<1>,2|N<3>,4|C<3>}	C[3](Si[3]C[3]C[5]C)(C[3]C[6a]Si[3])(C[6a]C[6a]2){2|H<1>,2|N<3>,4|C<3>}	43.2917	0.000	1	43.2917	0.000	1	43.2917	0.000	1	43.2917	0.000	1	43.4539	0.101	7	43.4539	0.101	7
872	902	902	3:SP3_SP2_SP2	Si[3]	C[3]	C[3]	3:3:3:4:	3:4:3:	3:4:3:	C[3]-3:C[3]-3:N-3:Si-4:	C[3]-3:Si[3]-4:C[6a]-3:	C[3]-3:Si[3]-4:C[6a]-3:	Si[3](C[3]C[6a]C[3])2(NC[6a]Si)(SiSi3)	C[3](C[3]C[6a]Si[3])(Si[3]C[3]SiN)(C[6a]C[6a]2)	C[3](C[3]C[6a]Si[3])(Si[3]C[3]SiN)(C[6a]C[6a]2)	Si[3](C[3]C[6a]C[3])2(NC[6a]Si)(SiSi3){4|C<3>}	C[3](C[3]C[6a]Si[3])(Si[3]C[3]SiN)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[3](C[3]C[6a]Si[3])(Si[3]C[3]SiN)(C[6a]C[6a]2){2|H<1>,4|C<3>}	43.3161	0.000	1	43.3161	0.000	1	43.3161	0.000	1	43.3161	0.000	1	43.4539	0.101	7	43.4539	0.101	7
872	902	902	3:SP3_SP2_SP2	Si[3]	C[3]	C[3]	3:3:3:4:	4:3:3:	3:4:1:	C[3]-3:C[3]-3:N-3:Si-4:	Si[3]-4:C[6a]-3:C[3]-3:	C[3]-3:Si[3]-4:H-1:	Si[3](C[3]C[6a]C[3])(C[3]C[3]H)(NC[6a]Si)(SiSi3)	C[3](Si[3]C[3]SiN)(C[6a]C[6a]2)(C[3]Si[3]H)	C[3](C[3]C[6a]Si[3])(Si[3]C[3]SiN)(H)	Si[3](C[3]C[6a]C[3])(C[3]C[3]H)(NC[6a]Si)(SiSi3){2|C<3>}	C[3](Si[3]C[3]SiN)(C[6a]C[6a]2)(C[3]Si[3]H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]Si[3])(Si[3]C[3]SiN)(H){2|C<3>}	43.1771	0.000	1	43.1771	0.000	1	43.1771	0.000	1	43.1771	0.000	1	43.4539	0.101	7	43.4539	0.101	7
872	902	909	0:SP3_SP2_SP2	Si[3]	C[3]	S	3:3:2:2:	3:4:3:	4:3:	C[3]-3:C[3]-3:S-2:S-2:	C[3]-3:Si[3]-4:C[6a]-3:	Si[3]-4:C[6a]-3:	Si[3](C[3]C[6a]C[3])2(SC[6a])2	C[3](C[3]C[6a]Si[3])(Si[3]C[3]SS)(C[6a]C[6a]2)	S(Si[3]C[3]2S)(C[6a]C[6a]2)	Si[3](C[3]C[6a]C[3])2(SC[6a])2{4|C<3>}	C[3](C[3]C[6a]Si[3])(Si[3]C[3]SS)(C[6a]C[6a]2){2|H<1>,4|C<3>}	S(Si[3]C[3]2S)(C[6a]C[6a]2)	122.7260	6.610	2	122.7260	43.693	2	122.7260	43.693	2	122.7260	43.693	2	122.7260	43.693	2	122.7260	43.693	2
872	902	924	0:SP3_SP-NON_SP2	Si[3]	C[3]	Br	3:3:3:1:	4:3:4:	4:	C[6a]-3:C[3]-3:C[3]-3:Br-1:	Si[3]-4:C[3]-3:C-4:	Si[3]-4:	Si[3](C[6a]C[6a]2)(C[3]C[3]C)2(Br)	C[3](Si[3]C[6a]C[3]Br)(C[3]Si[3]C)(CCHH)	Br(Si[3]C[6a]C[3]2)	Si[3](C[6a]C[6a]2)(C[3]C[3]C)2(Br){2|C<3>,2|C<4>}	C[3](Si[3]C[6a]C[3]Br)(C[3]Si[3]C)(CCHH){2|C<3>}	Br(Si[3]C[6a]C[3]2)	116.4380	0.010	2	116.4380	0.000	2	117.7692	2.456	4	117.7692	2.456	4	117.7692	2.456	4	117.7692	2.456	4
872	902	924	0:SP3_SP-NON_SP2	Si[3]	C[3]	Br	3:3:3:1:	4:3:4:	4:	C[6a]-3:C[3]-3:C[3]-3:Br-1:	Si[3]-4:C[3]-3:C-4:	Si[3]-4:	Si[3](C[6a]C[6a]2)(C[3]C[3]C)2(Br)	C[3](Si[3]C[6a]C[3]Br)(C[3]Si[3]C)(CHHN)	Br(Si[3]C[6a]C[3]2)	Si[3](C[6a]C[6a]2)(C[3]C[3]C)2(Br){2|C<3>,2|C<4>}	C[3](Si[3]C[6a]C[3]Br)(C[3]Si[3]C)(CHHN){2|C<3>}	Br(Si[3]C[6a]C[3]2)	119.1005	0.527	2	119.1005	0.278	2	117.7692	2.456	4	117.7692	2.456	4	117.7692	2.456	4	117.7692	2.456	4
872	902	930	0:SP3_SP2_SP2	Si[3]	C[3]	C	3:3:3:3:	4:3:3:	4:4:4:	C[3]-3:C[3]-3:C[5]-3:C-3:	Si[3]-4:C[3]-3:C[6a]-3:	Si[3]-4:Si-4:Si-4:	Si[3](C[3]C[6a]C[3])2(C[5]N[5]2)(CSi2)	C[3](Si[3]C[3]C[5]C)(C[3]C[6a]Si[3])(C[6a]C[6a]2)	C(Si[3]C[3]2C[5])(SiC3)2	Si[3](C[3]C[6a]C[3])2(C[5]N[5]2)(CSi2){2|C<4>,6|C<3>}	C[3](Si[3]C[3]C[5]C)(C[3]C[6a]Si[3])(C[6a]C[6a]2){2|H<1>,2|N<3>,4|C<3>}	C(Si[3]C[3]2C[5])(SiC3)2	133.2595	1.385	2	133.2595	1.919	2	133.2595	1.919	2	133.2595	1.919	2	133.2595	1.919	2	133.2595	1.919	2
872	902	941	0:SP3_SP2_SP2	Si[3]	C[3]	N	3:3:2:4:	3:4:3:	4:3:	C[3]-3:C[3]-3:N-2:Si-4:	C[3]-3:Si[3]-4:C[6a]-3:	Si[3]-4:C[5]-3:	Si[3](C[3]C[6a]C[3])2(NC[5])(SiC3)	C[3](C[3]C[6a]Si[3])(Si[3]C[3]SiN)(C[6a]C[6a]2)	N(Si[3]C[3]2Si)(C[5]N[5]2)	Si[3](C[3]C[6a]C[3])2(NC[5])(SiC3){4|C<3>}	C[3](C[3]C[6a]Si[3])(Si[3]C[3]SiN)(C[6a]C[6a]2){2|H<1>,4|C<3>}	N(Si[3]C[3]2Si)(C[5]N[5]2)	123.9430	1.020	2	123.9430	1.040	2	123.9430	1.040	2	123.9430	1.040	2	123.9430	1.040	2	123.9430	1.040	2
872	902	956	0:SP3_SP2_SP2	Si[3]	C[3]	N	3:3:3:4:	3:4:1:	4:3:4:	C[3]-3:C[3]-3:N-3:Si-4:	C[3]-3:Si[3]-4:H-1:	Si[3]-4:C[6a]-3:Si-4:	Si[3](C[3]C[6a]C[3])(C[3]C[3]H)(NC[6a]Si)(SiSi3)	C[3](C[3]C[6a]Si[3])(Si[3]C[3]SiN)(H)	N(Si[3]C[3]2Si)(C[6a]C[6a]2)(SiC3)	Si[3](C[3]C[6a]C[3])(C[3]C[3]H)(NC[6a]Si)(SiSi3){2|C<3>}	C[3](C[3]C[6a]Si[3])(Si[3]C[3]SiN)(H){2|C<3>}	N(Si[3]C[3]2Si)(C[6a]C[6a]2)(SiC3)	115.6740	0.000	1	115.6740	0.000	1	115.6740	0.000	1	115.6740	0.000	1	116.7130	1.457	4	116.7130	1.457	4
872	902	956	0:SP3_SP2_SP2	Si[3]	C[3]	N	3:3:3:4:	3:4:3:	4:3:4:	C[3]-3:C[3]-3:N-3:Si-4:	C[3]-3:Si[3]-4:C[6a]-3:	Si[3]-4:C[6a]-3:Si-4:	Si[3](C[3]C[6a]C[3])2(NC[6a]Si)(SiSi3)	C[3](C[3]C[6a]Si[3])(Si[3]C[3]SiN)(C[6a]C[6a]2)	N(Si[3]C[3]2Si)(C[6a]C[6a]2)(SiC3)	Si[3](C[3]C[6a]C[3])2(NC[6a]Si)(SiSi3){4|C<3>}	C[3](C[3]C[6a]Si[3])(Si[3]C[3]SiN)(C[6a]C[6a]2){2|H<1>,4|C<3>}	N(Si[3]C[3]2Si)(C[6a]C[6a]2)(SiC3)	116.9100	1.673	2	116.9100	2.799	2	116.9100	2.799	2	116.9100	2.799	2	116.7130	1.457	4	116.7130	1.457	4
872	902	956	0:SP3_SP2_SP2	Si[3]	C[3]	N	3:3:3:4:	4:3:3:	4:3:4:	C[3]-3:C[3]-3:N-3:Si-4:	Si[3]-4:C[6a]-3:C[3]-3:	Si[3]-4:C[6a]-3:Si-4:	Si[3](C[3]C[6a]C[3])(C[3]C[3]H)(NC[6a]Si)(SiSi3)	C[3](Si[3]C[3]SiN)(C[6a]C[6a]2)(C[3]Si[3]H)	N(Si[3]C[3]2Si)(C[6a]C[6a]2)(SiC3)	Si[3](C[3]C[6a]C[3])(C[3]C[3]H)(NC[6a]Si)(SiSi3){2|C<3>}	C[3](Si[3]C[3]SiN)(C[6a]C[6a]2)(C[3]Si[3]H){2|C<3>,2|H<1>}	N(Si[3]C[3]2Si)(C[6a]C[6a]2)(SiC3)	117.3580	0.000	1	117.3580	0.000	1	117.3580	0.000	1	117.3580	0.000	1	116.7130	1.457	4	116.7130	1.457	4
872	909	909	0:SP3_SP2_SP2	Si[3]	S	S	3:3:2:2:	4:3:	4:3:	C[3]-3:C[3]-3:S-2:S-2:	Si[3]-4:C[6a]-3:	Si[3]-4:C[6a]-3:	Si[3](C[3]C[6a]C[3])2(SC[6a])2	S(Si[3]C[3]2S)(C[6a]C[6a]2)	S(Si[3]C[3]2S)(C[6a]C[6a]2)	Si[3](C[3]C[6a]C[3])2(SC[6a])2{4|C<3>}	S(Si[3]C[3]2S)(C[6a]C[6a]2)	S(Si[3]C[3]2S)(C[6a]C[6a]2)	108.9660	0.000	1	108.9660	0.000	1	108.9660	0.000	1	108.9660	0.000	1	108.9660	0.000	1	108.9660	0.000	1
872	956	996	0:SP3_SP2_SP3	Si[3,4,6]	N	Si[4,6]	4:4:4:3:	4:4:4:	4:4:3:1:	C[3,4,5]-4:C[3,5,6]-4:Si[4,6]-4:N-3:	Si[3,4,6]-4:Si-4:Si-4:	Si[3,4,6]-4:C[4,5,6]-4:N-3:Cl-1:	Si[3,4,6](C[3,4,5]C[3,5,6]C[4,5,6]C)(C[3,5,6]C[3,4,5]C[5,6]C)(Si[4,6]C[4,5,6]ClN)(NSi2)	N(Si[3,4,6]C[3,4,5]C[3,5,6]Si[4,6])(SiC3)2	Si[4,6](Si[3,4,6]C[3,4,5]C[3,5,6]N)(C[4,5,6]C[3,4,5]C[5,6]C)(NSi2)(Cl)	Si[3,4,6](C[3,4,5]C[3,5,6]C[4,5,6]C)(C[3,5,6]C[3,4,5]C[5,6]C)(Si[4,6]C[4,5,6]ClN)(NSi2){1|C<3>,2|C<4>}	N(Si[3,4,6]C[3,4,5]C[3,5,6]Si[4,6])(SiC3)2	Si[4,6](Si[3,4,6]C[3,4,5]C[3,5,6]N)(C[4,5,6]C[3,4,5]C[5,6]C)(NSi2)(Cl){1|C<3>,3|C<4>}	135.7100	0.000	1	135.7100	0.000	1	135.7100	0.000	1	135.7100	0.000	1	135.7100	0.000	1	135.7100	0.000	1
872	996	996	4:SP3_SP3_SP3	Si[3,4]	Si[4]	Si[4]	4:4:4:4:	4:4:4:4:	4:4:4:4:	Si[3]-4:Si[3]-4:Si[4]-4:Si[4]-4:	Si[3,4]-4:Si[4]-4:Si-4:Si-4:	Si[3,4]-4:Si[4]-4:Si-4:Si-4:	Si[3,4](Si[3]Si[3]Si2)2(Si[4]Si[4]Si2)2	Si[4](Si[3,4]Si[3]2Si[4])(Si[4]Si[4]CC)(SiC3)2	Si[4](Si[3,4]Si[3]2Si[4])(Si[4]Si[4]CC)(SiC3)2	Si[3,4](Si[3]Si[3]Si2)2(Si[4]Si[4]Si2)2{2|C<4>}	Si[4](Si[3,4]Si[3]2Si[4])(Si[4]Si[4]CC)(SiC3)2{6|Si<4>}	Si[4](Si[3,4]Si[3]2Si[4])(Si[4]Si[4]CC)(SiC3)2{6|Si<4>}	89.8201	0.000	1	89.8201	0.000	1	89.8201	0.000	1	89.8201	0.000	1	89.8201	0.000	1	89.8201	0.000	1
873	622	622	6:SP3_SP2_SP2	Se[6]	O[6]	O[6]	2:2:1:1:	4:3:	4:3:	O[6]-2:O[6]-2:O-1:O-1:	Se[6]-4:Se[6]-3:	Se[6]-4:Se[6]-3:	Se[6](O[6]Se[6])2(O)2	O[6](Se[6]O[6]OO)(Se[6]O[6]O)	O[6](Se[6]O[6]OO)(Se[6]O[6]O)	Se[6](O[6]Se[6])2(O)2{1|O<2>,2|O<1>}	O[6](Se[6]O[6]OO)(Se[6]O[6]O){1|Se<3>}	O[6](Se[6]O[6]OO)(Se[6]O[6]O){1|Se<3>}	105.7990	0.808	2	105.7990	0.652	2	105.7990	0.652	2	105.7990	0.652	2	105.7990	0.652	2	105.7990	0.652	2
873	622	622	6:SP3_SP3_SP3	Se[6]	O[6]	O[6]	2:2:1:1:	4:4:	4:4:	O[6]-2:O[6]-2:O-1:O-1:	Se[6]-4:Se[6]-4:	Se[6]-4:Se[6]-4:	Se[6](O[6]Se[6])2(O)2	O[6](Se[6]O[6]OO)2	O[6](Se[6]O[6]OO)2	Se[6](O[6]Se[6])2(O)2{1|O<2>,4|O<1>}	O[6](Se[6]O[6]OO)2{1|Se<4>}	O[6](Se[6]O[6]OO)2{1|Se<4>}	98.0639	0.733	3	98.0639	0.537	3	98.0639	0.537	3	98.0639	0.537	3	98.0639	0.537	3	98.0639	0.537	3
873	622	863	0:SP3_SP2_SP2	Se[6]	O[6]	O	2:2:1:1:	4:3:	4:	O[6]-2:O[6]-2:O-1:O-1:	Se[6]-4:Se[6]-3:	Se[6]-4:	Se[6](O[6]Se[6])2(O)2	O[6](Se[6]O[6]OO)(Se[6]O[6]O)	O(Se[6]O[6]2O)	Se[6](O[6]Se[6])2(O)2{1|O<2>,2|O<1>}	O[6](Se[6]O[6]OO)(Se[6]O[6]O){1|Se<3>}	O(Se[6]O[6]2O)	108.2654	1.762	8	108.2654	3.103	8	108.2654	3.103	8	108.2654	3.103	8	108.2654	3.103	8	108.2654	3.103	8
873	622	863	0:SP3_SP2_SP3	Se[6]	O[6]	O	2:2:1:1:	4:4:	4:	O[6]-2:O[6]-2:O-1:O-1:	Se[6]-4:Se[6]-4:	Se[6]-4:	Se[6](O[6]Se[6])2(O)2	O[6](Se[6]O[6]OO)2	O(Se[6]O[6]2O)	Se[6](O[6]Se[6])2(O)2{1|O<2>,4|O<1>}	O[6](Se[6]O[6]OO)2{1|Se<4>}	O(Se[6]O[6]2O)	107.1680	3.064	12	107.1680	9.389	12	107.1680	9.389	12	107.1680	9.389	12	107.1680	9.389	12	107.1680	9.389	12
873	863	863	0:SP3_SP2_SP2	Se[6]	O	O	2:2:1:1:	4:	4:	O[6]-2:O[6]-2:O-1:O-1:	Se[6]-4:	Se[6]-4:	Se[6](O[6]Se[6])2(O)2	O(Se[6]O[6]2O)	O(Se[6]O[6]2O)	Se[6](O[6]Se[6])2(O)2{1|O<2>,2|O<1>}	O(Se[6]O[6]2O)	O(Se[6]O[6]2O)	117.3495	0.387	2	122.8478	26.310	5	122.8478	26.310	5	122.8478	26.310	5	122.8478	26.310	5	122.8478	26.310	5
873	863	863	0:SP3_SP2_SP2	Se[6]	O	O	2:2:1:1:	4:	4:	O[6]-2:O[6]-2:O-1:O-1:	Se[6]-4:	Se[6]-4:	Se[6](O[6]Se[6])2(O)2	O(Se[6]O[6]2O)	O(Se[6]O[6]2O)	Se[6](O[6]Se[6])2(O)2{1|O<2>,4|O<1>}	O(Se[6]O[6]2O)	O(Se[6]O[6]2O)	126.5133	1.470	3	122.8478	26.310	5	122.8478	26.310	5	122.8478	26.310	5	122.8478	26.310	5	122.8478	26.310	5
874	194	622	6:SP3_SP2_SP3	B[6,6]	O[3x6]	O[6]	3:2:2:2:	4:4:4:	4:3:	O[3x6]-3:O[6]-2:O[6]-2:O-2:	B[6,6]-4:B[6,6]-4:B[6,6]-4:	B[6,6]-4:B[6]-3:	B[6,6](O[3x6]B[6,6]2)(O[6]B[6])2(OH)	O[3x6](B[6,6]O[6]2O)3	O[6](B[6,6]O[3x6]O[6]O)(B[6]O[6]O)	B[6,6](O[3x6]B[6,6]2)(O[6]B[6])2(OH){2|O<3>,6|O<2>}	O[3x6](B[6,6]O[6]2O)3{3|B<3>}	O[6](B[6,6]O[3x6]O[6]O)(B[6]O[6]O){1|B<3>,2|B<4>}	109.0750	0.915	2	109.0750	0.837	2	109.0750	0.837	2	109.0750	0.837	2	109.2164	0.674	10	108.4332	3.920	12
874	194	622	6:SP3_SP2_SP3	B[6,6]	O[3x6]	O[6]	3:2:2:3:	4:4:4:	4:3:	O[3x6]-3:O[6]-2:O[6]-2:O-3:	B[6,6]-4:B[6,6]-4:B[6,6]-4:	B[6,6]-4:B[6]-3:	B[6,6](O[3x6]B[6,6]2)(O[6]B[6])2(OCoC)	O[3x6](B[6,6]O[6]2O)3	O[6](B[6,6]O[3x6]O[6]O)(B[6]O[6]O)	B[6,6](O[3x6]B[6,6]2)(O[6]B[6])2(OCoC){2|O<3>,6|O<2>}	O[3x6](B[6,6]O[6]2O)3{3|B<3>}	O[6](B[6,6]O[3x6]O[6]O)(B[6]O[6]O){1|B<3>,2|B<4>}	108.5855	0.197	2	108.5855	0.039	2	109.2518	0.739	8	109.2518	0.739	8	109.2164	0.674	10	108.4332	3.920	12
874	194	622	6:SP3_SP2_SP3	B[6,6]	O[3x6]	O[6]	3:2:2:3:	4:4:4:	4:3:	O[3x6]-3:O[6]-2:O[6]-2:O-3:	B[6,6]-4:B[6,6]-4:B[6,6]-4:	B[6,6]-4:B[6]-3:	B[6,6](O[3x6]B[6,6]2)(O[6]B[6])2(ONiC)	O[3x6](B[6,6]O[6]2O)3	O[6](B[6,6]O[3x6]O[6]O)(B[6]O[6]O)	B[6,6](O[3x6]B[6,6]2)(O[6]B[6])2(ONiC){2|O<3>,6|O<2>}	O[3x6](B[6,6]O[6]2O)3{3|B<3>}	O[6](B[6,6]O[3x6]O[6]O)(B[6]O[6]O){1|B<3>,2|B<4>}	108.5485	0.009	2	108.5485	0.000	2	109.2518	0.739	8	109.2518	0.739	8	109.2164	0.674	10	108.4332	3.920	12
874	194	622	6:SP3_SP2_SP3	B[6,6]	O[3x6]	O[6]	3:2:2:3:	4:4:4:	4:3:	O[3x6]-3:O[6]-2:O[6]-2:O-3:	B[6,6]-4:B[6,6]-4:B[6,6]-4:	B[6,6]-4:B[6]-3:	B[6,6](O[3x6]B[6,6]2)(O[6]B[6])2(OZnH)	O[3x6](B[6,6]O[6]2O)3	O[6](B[6,6]O[3x6]O[6]O)(B[6]O[6]O)	B[6,6](O[3x6]B[6,6]2)(O[6]B[6])2(OZnH){1|O<3>,7|O<2>}	O[3x6](B[6,6]O[6]2O)3{3|B<3>}	O[6](B[6,6]O[3x6]O[6]O)(B[6]O[6]O){1|B<3>,2|B<4>}	109.9365	0.679	4	109.9365	0.461	4	109.2518	0.739	8	109.2518	0.739	8	109.2164	0.674	10	108.4332	3.920	12
874	194	622	6:SP3_SP2_SP3	B[6]	O[6]	O[6]	3:3:3:2:	4:4:1:	4:3:	C[6a]-3:C[6a]-3:O[6]-3:O[6]-2:	B[6]-4:B[6]-4:H-1:	B[6]-4:C[6]-3:	B[6](C[6a]C[6a]2)2(O[6]B[6]H)(O[6]C[6])	O[6](B[6]C[6a]2O[6])2(H)	O[6](B[6]C[6a]2O[6])(C[6]C[6a]O[6])	B[6](C[6a]C[6a]2)2(O[6]B[6]H)(O[6]C[6]){1|O<2>,4|F<1>,7|C<3>}	O[6](B[6]C[6a]2O[6])2(H){9|C<3>}	O[6](B[6]C[6a]2O[6])(C[6]C[6a]O[6]){1|B<4>,1|H<1>,6|C<3>}	104.5170	0.496	2	104.5170	0.246	2	104.5170	0.246	2	104.5170	0.246	2	104.5170	0.246	2	108.4332	3.920	12
874	194	643	0:SP3_SP2_SP3	B[6]	O[6]	C[6a]	3:3:3:2:	4:4:1:	4:3:3:	C[6a]-3:C[6a]-3:O[6]-3:O[6]-2:	B[6]-4:B[6]-4:H-1:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6a]C[6a]2)2(O[6]B[6]H)(O[6]C[6])	O[6](B[6]C[6a]2O[6])2(H)	C[6a](B[6]C[6a]O[6]2)(C[6a]C[6a]F)2	B[6](C[6a]C[6a]2)2(O[6]B[6]H)(O[6]C[6]){1|O<2>,4|F<1>,7|C<3>}	O[6](B[6]C[6a]2O[6])2(H){9|C<3>}	C[6a](B[6]C[6a]O[6]2)(C[6a]C[6a]F)2{1|B<4>,1|H<1>,2|F<1>,4|C<3>}	111.1600	2.272	4	111.1600	5.163	4	111.1600	5.163	4	111.1600	5.163	4	111.1600	5.163	4	111.1600	5.163	4
874	194	893	0:SP3_SP3_SP3	B[6,6]	O[3x6]	O	3:2:2:2:	4:4:4:	4:1:	O[3x6]-3:O[6]-2:O[6]-2:O-2:	B[6,6]-4:B[6,6]-4:B[6,6]-4:	B[6,6]-4:H-1:	B[6,6](O[3x6]B[6,6]2)(O[6]B[6])2(OH)	O[3x6](B[6,6]O[6]2O)3	O(B[6,6]O[3x6]O[6]2)(H)	B[6,6](O[3x6]B[6,6]2)(O[6]B[6])2(OH){2|O<3>,6|O<2>}	O[3x6](B[6,6]O[6]2O)3{3|B<3>}	O(B[6,6]O[3x6]O[6]2)(H)	107.0120	0.000	1	107.0120	0.000	1	107.0120	0.000	1	107.0120	0.000	1	107.0120	0.000	1	107.0120	0.000	1
874	206	622	6:SP3_SP1_SP3	B[6]	C[6]	O[6]	3:3:2:2:	4:3:	4:4:	C[6a]-3:C[6a]-3:C[6]-2:O[6]-2:	B[6]-4:C[6]-3:	B[6]-4:C[6]-4:	B[6](C[6a]C[6a]2)2(C[6]C[6])(O[6]C[6])	C[6](B[6]C[6a]2O[6])(C[6]C[5]C[6])	O[6](B[6]C[6a]2C[6])(C[6]C[6]CC)	B[6](C[6a]C[6a]2)2(C[6]C[6])(O[6]C[6]){3|C<4>,4|F<1>,5|C<3>}	C[6](B[6]C[6a]2O[6])(C[6]C[5]C[6]){1|C<4>,2|H<1>,2|N<3>,4|C<3>}	O[6](B[6]C[6a]2C[6])(C[6]C[6]CC){2|H<1>,5|C<3>}	110.6240	0.590	2	110.6240	0.348	2	110.6240	0.348	2	110.6240	0.348	2	110.6240	0.348	2	110.6240	0.348	2
874	206	643	0:SP3_SP1_SP2	B[6]	C[6]	C[6a]	3:3:2:2:	4:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-2:O[6]-2:	B[6]-4:C[6]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6a]C[6a]2)2(C[6]C[6])(O[6]C[6])	C[6](B[6]C[6a]2O[6])(C[6]C[5]C[6])	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2	B[6](C[6a]C[6a]2)2(C[6]C[6])(O[6]C[6]){3|C<4>,4|F<1>,5|C<3>}	C[6](B[6]C[6a]2O[6])(C[6]C[5]C[6]){1|C<4>,2|H<1>,2|N<3>,4|C<3>}	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2{1|C<4>,2|F<1>,4|C<3>}	112.6552	10.158	4	112.6552	103.187	4	112.6552	103.187	4	112.6552	103.187	4	112.6552	103.187	4	112.6552	103.187	4
874	217	466	0:SP3_SP2_SP3	B[3x6]	N[6,6a]	C[6,6]	3:4:4:4:	3:3:4:	4:4:4:1:	N[6,6a]-3:C[6]-4:C[6,6]-4:C[6,6]-4:	C[6,6a]-3:C[6,6a]-3:B[3x6]-4:	B[3x6]-4:C[6]-4:C[6]-4:H-1:	B[3x6](N[6,6a]C[6,6a]2)(C[6]C[6,6a]CH)(C[6,6]C[6]2H)2	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]C[6])(B[3x6]C[6,6]2C[6])	C[6,6](B[3x6]N[6,6a]C[6,6]C[6])(C[6]C[6]HH)2(H)	B[3x6](N[6,6a]C[6,6a]2)(C[6]C[6,6a]CH)(C[6,6]C[6]2H)2{2|C<4>,5|C<3>,8|H<1>}	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]C[6])(B[3x6]C[6,6]2C[6]){1|N<3>,4|C<3>,5|C<4>,5|H<1>}	C[6,6](B[3x6]N[6,6a]C[6,6]C[6])(C[6]C[6]HH)2(H){3|C<3>,3|C<4>,6|H<1>}	111.4060	9.199	2	111.4060	84.630	2	111.4060	84.630	2	111.4060	84.630	2	111.4060	84.630	2	111.4060	84.630	2
874	217	466	6:SP3_SP2_SP3	B[3x6]	N[6,6a]	C[6]	3:4:4:4:	3:3:4:	4:3:4:1:	N[6,6a]-3:C[6]-4:C[6,6]-4:C[6,6]-4:	C[6,6a]-3:C[6,6a]-3:B[3x6]-4:	B[3x6]-4:C[6,6a]-3:C-4:H-1:	B[3x6](N[6,6a]C[6,6a]2)(C[6]C[6,6a]CH)(C[6,6]C[6]2H)2	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]C[6])(B[3x6]C[6,6]2C[6])	C[6](B[3x6]N[6,6a]C[6,6]2)(C[6,6a]C[6,6a]C[6a])(CCCH)(H)	B[3x6](N[6,6a]C[6,6a]2)(C[6]C[6,6a]CH)(C[6,6]C[6]2H)2{2|C<4>,5|C<3>,8|H<1>}	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]C[6])(B[3x6]C[6,6]2C[6]){1|N<3>,4|C<3>,5|C<4>,5|H<1>}	C[6](B[3x6]N[6,6a]C[6,6]2)(C[6,6a]C[6,6a]C[6a])(CCCH)(H){3|H<1>,4|C<3>,4|C<4>}	98.6933	0.000	1	98.6933	0.000	1	98.6933	0.000	1	98.6933	0.000	1	98.6933	0.000	1	98.6933	0.000	1
874	286	466	6:SP3_SP2_SP3	B[6]	S[6]	C[6]	3:3:4:2:	3:4:	4:4:1:1:	C[6a]-3:C[6a]-3:C[6]-4:S[6]-2:	C[6,6]-3:B[6]-4:	B[6]-4:C[6]-4:H-1:H-1:	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(S[6]C[6,6])	S[6](C[6,6]P[6,6]N[6])(B[6]C[6a]2C[6])	C[6](B[6]C[6a]2S[6])(C[6]P[6,6]HH)(H)2	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(S[6]C[6,6]){1|N<3>,1|P<4>,2|H<1>,4|C<3>,4|F<1>}	S[6](C[6,6]P[6,6]N[6])(B[6]C[6a]2C[6]){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	C[6](B[6]C[6a]2S[6])(C[6]P[6,6]HH)(H)2{1|C<4>,6|C<3>}	110.3840	0.000	1	110.3840	0.000	1	110.3840	0.000	1	110.3840	0.000	1	110.3840	0.000	1	110.3840	0.000	1
874	286	643	0:SP3_SP2_SP2	B[6]	S[6]	C[6a]	3:3:4:2:	3:4:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-4:S[6]-2:	C[6,6]-3:B[6]-4:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(S[6]C[6,6])	S[6](C[6,6]P[6,6]N[6])(B[6]C[6a]2C[6])	C[6a](B[6]C[6a]C[6]S[6])(C[6a]C[6a]F)2	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(S[6]C[6,6]){1|N<3>,1|P<4>,2|H<1>,4|C<3>,4|F<1>}	S[6](C[6,6]P[6,6]N[6])(B[6]C[6a]2C[6]){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	C[6a](B[6]C[6a]C[6]S[6])(C[6a]C[6a]F)2{1|C<4>,2|F<1>,2|H<1>,4|C<3>}	104.8520	5.069	2	104.8520	25.690	2	104.8520	25.690	2	104.8520	25.690	2	104.8520	25.690	2	104.8520	25.690	2
874	286	909	0:SP3_SP3_SP3	B[6]	S[6]	S	3:2:3:2:	4:4:	4:4:	S[6]-3:S[6]-2:S-3:S-2:	B[6]-4:C[6]-4:	B[6]-4:C-4:	B[6](S[6]C[6]Ru)(S[6]C[6])(SRu2)(SC)	S[6](B[6]S[6]SS)(C[6]S[6]HH)	S(B[6]S[6]2S)(CH3)	B[6](S[6]C[6]Ru)(S[6]C[6])(SRu2)(SC){1|S<3>,4|H<1>}	S[6](B[6]S[6]SS)(C[6]S[6]HH){2|Ru<8>,1|C<4>}	S(B[6]S[6]2S)(CH3)	107.0710	0.000	1	107.0710	0.000	1	107.0710	0.000	1	107.0710	0.000	1	107.0710	0.000	1	107.0710	0.000	1
874	286	951	0:SP3_SP-NON_SP3	B[6]	S[6]	H	3:2:3:1:	4:4:	4:	S[6]-3:S[6]-2:S-3:H-1:	B[6]-4:C[6]-4:	B[6]-4:	B[6](S[6]C[6]Ru)(S[6]C[6])(SRu2)(H)	S[6](B[6]S[6]HS)(C[6]S[6]HH)	H(B[6]S[6]2S)	B[6](S[6]C[6]Ru)(S[6]C[6])(SRu2)(H){1|S<3>,4|H<1>}	S[6](B[6]S[6]HS)(C[6]S[6]HH){2|Ru<8>,1|C<4>}	H(B[6]S[6]2S)	105.7270	0.000	1	105.7270	0.000	1	105.7270	0.000	1	105.7270	0.000	1	105.7270	0.000	1	105.7270	0.000	1
874	466	466	0:SP3_SP3_SP3	B[3x6]	C[6,6]	C[6]	4:4:4:3:	4:4:4:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:S[6]-3:	B[3x6]-4:C[6]-4:C[6]-4:H-1:	B[3x6]-4:S[6]-3:H-1:H-1:	B[3x6](C[6,6]C[6]2H)2(C[6]S[6]HH)(S[6]C[6]C)	C[6,6](B[3x6]C[6,6]C[6]S[6])(C[6]C[6]HH)2(H)	C[6](B[3x6]C[6,6]2S[6])(S[6]B[3x6]C)(H)2	B[3x6](C[6,6]C[6]2H)2(C[6]S[6]HH)(S[6]C[6]C){10|H<1>,1|B<4>,3|C<4>}	C[6,6](B[3x6]C[6,6]C[6]S[6])(C[6]C[6]HH)2(H){1|S<3>,4|C<4>,7|H<1>}	C[6](B[3x6]C[6,6]2S[6])(S[6]B[3x6]C)(H)2{2|H<1>,8|C<4>}	114.5755	0.477	2	114.5755	0.228	2	114.5755	0.228	2	114.5755	0.228	2	112.8457	17.535	4	114.5516	7.110	20
874	466	466	0:SP3_SP3_SP3	B[3x6]	C[6,6]	C[6]	4:4:4:4:	4:4:4:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C[6]-4:	B[3x6]-4:C[6]-4:C[6]-4:H-1:	B[3x6]-4:S[6]-3:H-1:H-1:	B[3x6](C[6,6]C[6]2H)2(C[6]S[6]HH)2	C[6,6](B[3x6]C[6,6]C[6]2)(C[6]C[6]HH)2(H)	C[6](B[3x6]C[6,6]2C[6])(S[6]B[3x6]C)(H)2	B[3x6](C[6,6]C[6]2H)2(C[6]S[6]HH)2{1|B<4>,4|C<4>,8|H<1>}	C[6,6](B[3x6]C[6,6]C[6]2)(C[6]C[6]HH)2(H){2|C<4>,2|S<3>,9|H<1>}	C[6](B[3x6]C[6,6]2C[6])(S[6]B[3x6]C)(H)2{1|S<3>,4|H<1>,6|C<4>}	111.1160	6.357	2	111.1160	40.410	2	111.1160	40.410	2	111.1160	40.410	2	112.8457	17.535	4	114.5516	7.110	20
874	466	466	0:SP3_SP3_SP3	B[3x6]	C[6]	C[6,6]	3:4:4:4:	4:3:4:1:	4:4:4:1:	N[6,6]-3:C[6]-4:C[6,6]-4:C[6,6]-4:	B[3x6]-4:C[6,6a]-3:C-4:H-1:	B[3x6]-4:C[6]-4:C[6]-4:H-1:	B[3x6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(C[6,6]C[6]2H)2	C[6](B[3x6]C[6,6]2N[6,6])(C[6,6a]C[6,6a]C[6a])(CCCH)(H)	C[6,6](B[3x6]C[6,6]N[6,6]C[6])(C[6]C[6]HH)2(H)	B[3x6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(C[6,6]C[6]2H)2{1|N<3>,2|C<4>,3|C<3>,9|H<1>}	C[6](B[3x6]C[6,6]2N[6,6])(C[6,6a]C[6,6a]C[6a])(CCCH)(H){3|H<1>,4|C<3>,4|C<4>}	C[6,6](B[3x6]C[6,6]N[6,6]C[6])(C[6]C[6]HH)2(H){3|C<3>,3|C<4>,6|H<1>}	114.2553	1.878	8	114.3232	3.046	10	114.5931	4.206	12	114.8371	5.053	14	114.8371	5.053	14	114.5516	7.110	20
874	466	466	0:SP3_SP3_SP3	B[3x6]	C[6]	C[6,6]	3:4:4:4:	4:3:4:1:	4:4:4:1:	N[6,6]-3:C[6]-4:C[6,6]-4:C[6,6]-4:	B[3x6]-4:C[6,6a]-3:C-4:H-1:	B[3x6]-4:C[6]-4:C[6]-4:H-1:	B[3x6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(C[6,6]C[6]2H)2	C[6](B[3x6]C[6,6]2N[6,6])(C[6,6a]C[6,6a]C[6a])(CCCH)(H)	C[6,6](B[3x6]C[6,6]N[6,6]C[6])(C[6]C[6]HH)2(H)	B[3x6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(C[6,6]C[6]2H)2{2|C<4>,4|C<3>,9|H<1>}	C[6](B[3x6]C[6,6]2N[6,6])(C[6,6a]C[6,6a]C[6a])(CCCH)(H){3|H<1>,4|C<3>,4|C<4>}	C[6,6](B[3x6]C[6,6]N[6,6]C[6])(C[6]C[6]HH)2(H){3|C<3>,3|C<4>,6|H<1>}	114.5950	1.590	2	114.3232	3.046	10	114.5931	4.206	12	114.8371	5.053	14	114.8371	5.053	14	114.5516	7.110	20
874	466	466	0:SP3_SP3_SP3	B[3x6]	C[6]	C[6,6]	3:4:4:4:	4:3:4:1:	4:4:4:1:	N[6,6]-3:C[6]-4:C[6,6]-4:C[6,6]-4:	B[3x6]-4:C[6,6a]-3:C-4:H-1:	B[3x6]-4:C[6]-4:C[6]-4:H-1:	B[3x6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]CH)(C[6,6]C[6]2H)2	C[6](B[3x6]C[6,6]2N[6,6])(C[6,6a]C[6,6a]C[6a])(CCCH)(H)	C[6,6](B[3x6]C[6,6]N[6,6]C[6])(C[6]C[6]HH)2(H)	B[3x6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]CH)(C[6,6]C[6]2H)2{2|C<4>,5|C<3>,8|H<1>}	C[6](B[3x6]C[6,6]2N[6,6])(C[6,6a]C[6,6a]C[6a])(CCCH)(H){3|H<1>,4|C<3>,4|C<4>}	C[6,6](B[3x6]C[6,6]N[6,6]C[6])(C[6]C[6]HH)2(H){3|C<3>,3|C<4>,6|H<1>}	115.9425	3.806	2	115.9425	14.488	2	114.5931	4.206	12	114.8371	5.053	14	114.8371	5.053	14	114.5516	7.110	20
874	466	466	0:SP3_SP3_SP3	B[3x6]	C[6]	C[6,6]	3:4:4:4:	4:3:4:1:	4:4:4:1:	N[6,6a]-3:C[6]-4:C[6,6]-4:C[6,6]-4:	B[3x6]-4:C[6,6a]-3:C-4:H-1:	B[3x6]-4:C[6]-4:C[6]-4:H-1:	B[3x6](N[6,6a]C[6,6a]2)(C[6]C[6,6a]CH)(C[6,6]C[6]2H)2	C[6](B[3x6]N[6,6a]C[6,6]2)(C[6,6a]C[6,6a]C[6a])(CCCH)(H)	C[6,6](B[3x6]N[6,6a]C[6,6]C[6])(C[6]C[6]HH)2(H)	B[3x6](N[6,6a]C[6,6a]2)(C[6]C[6,6a]CH)(C[6,6]C[6]2H)2{2|C<4>,5|C<3>,8|H<1>}	C[6](B[3x6]N[6,6a]C[6,6]2)(C[6,6a]C[6,6a]C[6a])(CCCH)(H){3|H<1>,4|C<3>,4|C<4>}	C[6,6](B[3x6]N[6,6a]C[6,6]C[6])(C[6]C[6]HH)2(H){3|C<3>,3|C<4>,6|H<1>}	116.3010	3.797	2	116.3010	14.418	2	116.3010	14.418	2	114.8371	5.053	14	114.8371	5.053	14	114.5516	7.110	20
874	466	466	0:SP3_SP3_SP3	B[6,6]	C[6]	C[6]	4:4:4:2:	4:3:1:1:	4:3:1:1:	N[6,6]-4:C[6]-4:C[6]-4:O-2:	B[6,6]-4:C[6]-3:H-1:H-1:	B[6,6]-4:C[6]-3:H-1:H-1:	B[6,6](N[6,6]C[6]2H)(C[6]C[6]HH)2(OH)	C[6](B[6,6]N[6,6]C[6]O)(C[6]C[6]H)(H)2	C[6](B[6,6]N[6,6]C[6]O)(C[6]C[6]H)(H)2	B[6,6](N[6,6]C[6]2H)(C[6]C[6]HH)2(OH){2|C<3>,6|H<1>}	C[6](B[6,6]N[6,6]C[6]O)(C[6]C[6]H)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](B[6,6]N[6,6]C[6]O)(C[6]C[6]H)(H)2{1|C<3>,2|C<4>,4|H<1>}	115.9655	0.108	2	115.9655	0.012	2	115.9655	0.012	2	115.9655	0.012	2	115.9655	0.012	2	114.5516	7.110	20
874	466	466	6:SP3_SP3_SP3	B[3x6]	C[3x6]	C[6,6]	4:4:4:3:	4:4:4:4:	4:4:1:1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:N[6]-3:	B[3x6]-4:C[3x6]-4:C[6]-4:C[6]-4:	B[3x6]-4:C[3x6]-4:H-1:H-1:	B[3x6](C[3x6]C[3x6]C[6]2)(C[6,6]C[3x6]HH)2(N[6]C[6]2)	C[3x6](B[3x6]C[6,6]2N[6])(C[3x6]C[6,6]2H)(C[6]C[6]HH)2	C[6,6](B[3x6]C[3x6]C[6,6]N[6])(C[3x6]C[6,6]2H)(H)2	B[3x6](C[3x6]C[3x6]C[6]2)(C[6,6]C[3x6]HH)2(N[6]C[6]2){2|C<3>,5|C<4>,9|H<1>}	C[3x6](B[3x6]C[6,6]2N[6])(C[3x6]C[6,6]2H)(C[6]C[6]HH)2{12|H<1>,2|C<3>,3|C<4>}	C[6,6](B[3x6]C[3x6]C[6,6]N[6])(C[3x6]C[6,6]2H)(H)2{2|C<3>,4|C<4>,6|H<1>}	110.0030	0.065	2	110.0030	0.004	2	110.0030	0.004	2	110.0030	0.004	2	110.0030	0.004	2	106.9651	7.148	128
874	466	466	6:SP3_SP3_SP3	B[3x6]	C[6,6]	C[6,6]	3:4:4:2:	4:4:4:1:	4:4:4:1:	N[6,6]-3:C[6,6]-4:C[6,6]-4:O[6]-2:	B[3x6]-4:C[6]-4:C[6]-4:H-1:	B[3x6]-4:C[6]-4:C[6]-4:H-1:	B[3x6](N[6,6]C[6,6]C[6])(C[6,6]C[6]2H)2(O[6]C[6])	C[6,6](B[3x6]C[6,6]N[6,6]O[6])(C[6]C[6]HH)2(H)	C[6,6](B[3x6]C[6,6]N[6,6]O[6])(C[6]C[6]HH)2(H)	B[3x6](N[6,6]C[6,6]C[6])(C[6,6]C[6]2H)2(O[6]C[6]){3|C<3>,3|C<4>,9|H<1>}	C[6,6](B[3x6]C[6,6]N[6,6]O[6])(C[6]C[6]HH)2(H){2|C<4>,3|C<3>,5|H<1>}	C[6,6](B[3x6]C[6,6]N[6,6]O[6])(C[6]C[6]HH)2(H){2|C<4>,3|C<3>,5|H<1>}	106.5630	0.000	1	106.5630	0.000	1	106.5630	0.000	1	106.8475	0.162	2	107.5205	5.387	35	106.9651	7.148	128
874	466	466	6:SP3_SP3_SP3	B[3x6]	C[6,6]	C[6,6]	3:4:4:2:	4:4:4:1:	4:4:4:1:	N[6]-3:C[6,6]-4:C[6,6]-4:O[6]-2:	B[3x6]-4:C[6]-4:C[6]-4:H-1:	B[3x6]-4:C[6]-4:C[6]-4:H-1:	B[3x6](N[6]C[6a]C[6])(C[6,6]C[6]2H)2(O[6]C[6,6a])	C[6,6](B[3x6]C[6,6]N[6]O[6])(C[6]C[6]HH)2(H)	C[6,6](B[3x6]C[6,6]N[6]O[6])(C[6]C[6]HH)2(H)	B[3x6](N[6]C[6a]C[6])(C[6,6]C[6]2H)2(O[6]C[6,6a]){2|C<4>,4|C<3>,9|H<1>}	C[6,6](B[3x6]C[6,6]N[6]O[6])(C[6]C[6]HH)2(H){2|C<4>,3|C<3>,5|H<1>}	C[6,6](B[3x6]C[6,6]N[6]O[6])(C[6]C[6]HH)2(H){2|C<4>,3|C<3>,5|H<1>}	107.1320	0.000	1	107.1320	0.000	1	107.1320	0.000	1	106.8475	0.162	2	107.5205	5.387	35	106.9651	7.148	128
874	466	466	6:SP3_SP3_SP3	B[3x6]	C[6,6]	C[6,6]	3:4:4:4:	4:4:4:1:	4:4:4:1:	N[6,6]-3:C[6]-4:C[6,6]-4:C[6,6]-4:	B[3x6]-4:C[6]-4:C[6]-4:H-1:	B[3x6]-4:C[6]-4:C[6]-4:H-1:	B[3x6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(C[6,6]C[6]2H)2	C[6,6](B[3x6]C[6,6]N[6,6]C[6])(C[6]C[6]HH)2(H)	C[6,6](B[3x6]C[6,6]N[6,6]C[6])(C[6]C[6]HH)2(H)	B[3x6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(C[6,6]C[6]2H)2{1|N<3>,2|C<4>,3|C<3>,9|H<1>}	C[6,6](B[3x6]C[6,6]N[6,6]C[6])(C[6]C[6]HH)2(H){3|C<3>,3|C<4>,6|H<1>}	C[6,6](B[3x6]C[6,6]N[6,6]C[6])(C[6]C[6]HH)2(H){3|C<3>,3|C<4>,6|H<1>}	104.9135	0.210	4	104.9576	0.043	5	104.5577	0.994	6	104.2529	1.479	7	107.5205	5.387	35	106.9651	7.148	128
874	466	466	6:SP3_SP3_SP3	B[3x6]	C[6,6]	C[6,6]	3:4:4:4:	4:4:4:1:	4:4:4:1:	N[6,6]-3:C[6]-4:C[6,6]-4:C[6,6]-4:	B[3x6]-4:C[6]-4:C[6]-4:H-1:	B[3x6]-4:C[6]-4:C[6]-4:H-1:	B[3x6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(C[6,6]C[6]2H)2	C[6,6](B[3x6]C[6,6]N[6,6]C[6])(C[6]C[6]HH)2(H)	C[6,6](B[3x6]C[6,6]N[6,6]C[6])(C[6]C[6]HH)2(H)	B[3x6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(C[6,6]C[6]2H)2{2|C<4>,4|C<3>,9|H<1>}	C[6,6](B[3x6]C[6,6]N[6,6]C[6])(C[6]C[6]HH)2(H){3|C<3>,3|C<4>,6|H<1>}	C[6,6](B[3x6]C[6,6]N[6,6]C[6])(C[6]C[6]HH)2(H){3|C<3>,3|C<4>,6|H<1>}	105.1340	0.000	1	104.9576	0.043	5	104.5577	0.994	6	104.2529	1.479	7	107.5205	5.387	35	106.9651	7.148	128
874	466	466	6:SP3_SP3_SP3	B[3x6]	C[6,6]	C[6,6]	3:4:4:4:	4:4:4:1:	4:4:4:1:	N[6,6]-3:C[6]-4:C[6,6]-4:C[6,6]-4:	B[3x6]-4:C[6]-4:C[6]-4:H-1:	B[3x6]-4:C[6]-4:C[6]-4:H-1:	B[3x6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]CH)(C[6,6]C[6]2H)2	C[6,6](B[3x6]C[6,6]N[6,6]C[6])(C[6]C[6]HH)2(H)	C[6,6](B[3x6]C[6,6]N[6,6]C[6])(C[6]C[6]HH)2(H)	B[3x6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]CH)(C[6,6]C[6]2H)2{2|C<4>,5|C<3>,8|H<1>}	C[6,6](B[3x6]C[6,6]N[6,6]C[6])(C[6]C[6]HH)2(H){3|C<3>,3|C<4>,6|H<1>}	C[6,6](B[3x6]C[6,6]N[6,6]C[6])(C[6]C[6]HH)2(H){3|C<3>,3|C<4>,6|H<1>}	102.5580	0.000	1	102.5580	0.000	1	104.5577	0.994	6	104.2529	1.479	7	107.5205	5.387	35	106.9651	7.148	128
874	466	466	6:SP3_SP3_SP3	B[3x6]	C[6,6]	C[6,6]	3:4:4:4:	4:4:4:1:	4:4:4:1:	N[6,6a]-3:C[6]-4:C[6,6]-4:C[6,6]-4:	B[3x6]-4:C[6]-4:C[6]-4:H-1:	B[3x6]-4:C[6]-4:C[6]-4:H-1:	B[3x6](N[6,6a]C[6,6a]2)(C[6]C[6,6a]CH)(C[6,6]C[6]2H)2	C[6,6](B[3x6]N[6,6a]C[6,6]C[6])(C[6]C[6]HH)2(H)	C[6,6](B[3x6]N[6,6a]C[6,6]C[6])(C[6]C[6]HH)2(H)	B[3x6](N[6,6a]C[6,6a]2)(C[6]C[6,6a]CH)(C[6,6]C[6]2H)2{2|C<4>,5|C<3>,8|H<1>}	C[6,6](B[3x6]N[6,6a]C[6,6]C[6])(C[6]C[6]HH)2(H){3|C<3>,3|C<4>,6|H<1>}	C[6,6](B[3x6]N[6,6a]C[6,6]C[6])(C[6]C[6]HH)2(H){3|C<3>,3|C<4>,6|H<1>}	102.4240	0.000	1	102.4240	0.000	1	102.4240	0.000	1	104.2529	1.479	7	107.5205	5.387	35	106.9651	7.148	128
874	466	466	6:SP3_SP3_SP3	B[3x6]	C[6,6]	C[6,6]	4:4:2:3:	4:4:4:1:	4:4:4:1:	C[6,6]-4:C[6,6]-4:H[6]-2:N[6]-3:	B[3x6]-4:C[6]-4:C[6]-4:H-1:	B[3x6]-4:C[6]-4:C[6]-4:H-1:	B[3x6](C[6,6]C[6]2H)2(H[6]B[3x6])(N[6]C[6]C)	C[6,6](B[3x6]C[6,6]H[6]N[6])(C[6]C[6]HH)2(H)	C[6,6](B[3x6]C[6,6]H[6]N[6])(C[6]C[6]HH)2(H)	B[3x6](C[6,6]C[6]2H)2(H[6]B[3x6])(N[6]C[6]C){1|N<3>,2|C<4>,9|H<1>}	C[6,6](B[3x6]C[6,6]H[6]N[6])(C[6]C[6]HH)2(H){1|C<3>,3|C<4>,5|H<1>}	C[6,6](B[3x6]C[6,6]H[6]N[6])(C[6]C[6]HH)2(H){1|C<3>,3|C<4>,5|H<1>}	107.8560	0.000	1	107.8560	0.000	1	107.8560	0.000	1	107.8560	0.000	1	107.5205	5.387	35	106.9651	7.148	128
874	466	466	6:SP3_SP3_SP3	B[3x6]	C[6,6]	C[6,6]	4:4:3:2:	4:4:4:1:	4:4:4:1:	C[6,6]-4:C[6,6]-4:N[6]-3:O[6]-2:	B[3x6]-4:C[6]-4:C[6]-4:H-1:	B[3x6]-4:C[6]-4:C[6]-4:H-1:	B[3x6](C[6,6]C[6]2H)2(N[6]C[6]C)(O[6]C[6])	C[6,6](B[3x6]C[6,6]N[6]O[6])(C[6]C[6]HH)2(H)	C[6,6](B[3x6]C[6,6]N[6]O[6])(C[6]C[6]HH)2(H)	B[3x6](C[6,6]C[6]2H)2(N[6]C[6]C)(O[6]C[6]){11|H<1>,1|N<3>,2|C<4>}	C[6,6](B[3x6]C[6,6]N[6]O[6])(C[6]C[6]HH)2(H){1|C<3>,4|C<4>,5|H<1>}	C[6,6](B[3x6]C[6,6]N[6]O[6])(C[6]C[6]HH)2(H){1|C<3>,4|C<4>,5|H<1>}	106.0335	0.026	2	106.6107	0.464	4	106.6107	0.464	4	106.6107	0.464	4	107.5205	5.387	35	106.9651	7.148	128
874	466	466	6:SP3_SP3_SP3	B[3x6]	C[6,6]	C[6,6]	4:4:3:2:	4:4:4:1:	4:4:4:1:	C[6,6]-4:C[6,6]-4:N[6]-3:O[6]-2:	B[3x6]-4:C[6]-4:C[6]-4:H-1:	B[3x6]-4:C[6]-4:C[6]-4:H-1:	B[3x6](C[6,6]C[6]2H)2(N[6]C[6]C)(O[6]C[6])	C[6,6](B[3x6]C[6,6]N[6]O[6])(C[6]C[6]HH)2(H)	C[6,6](B[3x6]C[6,6]N[6]O[6])(C[6]C[6]HH)2(H)	B[3x6](C[6,6]C[6]2H)2(N[6]C[6]C)(O[6]C[6]){1|N<3>,1|O<1>,2|C<4>,9|H<1>}	C[6,6](B[3x6]C[6,6]N[6]O[6])(C[6]C[6]HH)2(H){2|C<3>,3|C<4>,5|H<1>}	C[6,6](B[3x6]C[6,6]N[6]O[6])(C[6]C[6]HH)2(H){2|C<3>,3|C<4>,5|H<1>}	107.1880	0.239	2	106.6107	0.464	4	106.6107	0.464	4	106.6107	0.464	4	107.5205	5.387	35	106.9651	7.148	128
874	466	466	6:SP3_SP3_SP3	B[3x6]	C[6,6]	C[6,6]	4:4:3:3:	4:4:4:1:	4:4:4:1:	C[6,6]-4:C[6,6]-4:S[6]-3:S[6]-3:	B[3x6]-4:C[6]-4:C[6]-4:H-1:	B[3x6]-4:C[6]-4:C[6]-4:H-1:	B[3x6](C[6,6]C[6]2H)2(S[6]C[6]C)2	C[6,6](B[3x6]C[6,6]S[6]2)(C[6]C[6]HH)2(H)	C[6,6](B[3x6]C[6,6]S[6]2)(C[6]C[6]HH)2(H)	B[3x6](C[6,6]C[6]2H)2(S[6]C[6]C)2{12|H<1>,1|B<4>,2|C<4>}	C[6,6](B[3x6]C[6,6]S[6]2)(C[6]C[6]HH)2(H){5|H<1>,6|C<4>}	C[6,6](B[3x6]C[6,6]S[6]2)(C[6]C[6]HH)2(H){5|H<1>,6|C<4>}	107.4850	0.000	1	107.4850	0.000	1	107.4850	0.000	1	107.4850	0.000	1	107.5205	5.387	35	106.9651	7.148	128
874	466	466	6:SP3_SP3_SP3	B[3x6]	C[6,6]	C[6,6]	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:N[6]-3:	B[3x6]-4:C[3x6]-4:H-1:H-1:	B[3x6]-4:C[3x6]-4:H-1:H-1:	B[3x6](C[3x6]C[3x6]C[6]2)(C[6,6]C[3x6]HH)2(N[6]C[6]2)	C[6,6](B[3x6]C[3x6]C[6,6]N[6])(C[3x6]C[6,6]2H)(H)2	C[6,6](B[3x6]C[3x6]C[6,6]N[6])(C[3x6]C[6,6]2H)(H)2	B[3x6](C[3x6]C[3x6]C[6]2)(C[6,6]C[3x6]HH)2(N[6]C[6]2){2|C<3>,5|C<4>,9|H<1>}	C[6,6](B[3x6]C[3x6]C[6,6]N[6])(C[3x6]C[6,6]2H)(H)2{2|C<3>,4|C<4>,6|H<1>}	C[6,6](B[3x6]C[3x6]C[6,6]N[6])(C[3x6]C[6,6]2H)(H)2{2|C<3>,4|C<4>,6|H<1>}	108.3130	0.000	1	108.3130	0.000	1	108.3130	0.000	1	109.8197	0.821	9	107.5205	5.387	35	106.9651	7.148	128
874	466	466	6:SP3_SP3_SP3	B[3x6]	C[6,6]	C[6,6]	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N[6]-3:	B[3x6]-4:C[3x6]-4:H-1:H-1:	B[3x6]-4:C[3x6]-4:H-1:H-1:	B[3x6](C[6,6]C[3x6]HH)3(N[6]C[6]2)	C[6,6](B[3x6]C[6,6]2N[6])(C[3x6]C[6,6]2H)(H)2	C[6,6](B[3x6]C[6,6]2N[6])(C[3x6]C[6,6]2H)(H)2	B[3x6](C[6,6]C[3x6]HH)3(N[6]C[6]2){2|C<3>,3|C<4>,5|H<1>}	C[6,6](B[3x6]C[6,6]2N[6])(C[3x6]C[6,6]2H)(H)2{2|C<3>,2|C<4>,8|H<1>}	C[6,6](B[3x6]C[6,6]2N[6])(C[3x6]C[6,6]2H)(H)2{2|C<3>,2|C<4>,8|H<1>}	108.9095	0.582	2	108.9095	0.339	2	108.9095	0.339	2	109.8197	0.821	9	107.5205	5.387	35	106.9651	7.148	128
874	466	466	6:SP3_SP3_SP3	B[3x6]	C[6,6]	C[6,6]	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O[5]-3:	B[3x6]-4:C[3x6]-4:H-1:H-1:	B[3x6]-4:C[3x6]-4:H-1:H-1:	B[3x6](C[6,6]C[3x6]HH)3(O[5]C[5]2)	C[6,6](B[3x6]C[6,6]2O[5])(C[3x6]C[6,6]2H)(H)2	C[6,6](B[3x6]C[6,6]2O[5])(C[3x6]C[6,6]2H)(H)2	B[3x6](C[6,6]C[3x6]HH)3(O[5]C[5]2){5|C<4>,7|H<1>}	C[6,6](B[3x6]C[6,6]2O[5])(C[3x6]C[6,6]2H)(H)2{4|C<4>,8|H<1>}	C[6,6](B[3x6]C[6,6]2O[5])(C[3x6]C[6,6]2H)(H)2{4|C<4>,8|H<1>}	110.3742	0.302	6	110.3742	0.091	6	110.3742	0.091	6	109.8197	0.821	9	107.5205	5.387	35	106.9651	7.148	128
874	466	466	6:SP3_SP3_SP3	B[3x6]	C[6,6]	C[6,6]	4:4:4:3:	4:4:4:1:	4:4:4:1:	C[6,6]-4:C[6,6]-4:C[6]-4:S[6]-3:	B[3x6]-4:C[6]-4:C[6]-4:H-1:	B[3x6]-4:C[6]-4:C[6]-4:H-1:	B[3x6](C[6,6]C[6]2H)2(C[6]S[6]HH)(S[6]C[6]C)	C[6,6](B[3x6]C[6,6]C[6]S[6])(C[6]C[6]HH)2(H)	C[6,6](B[3x6]C[6,6]C[6]S[6])(C[6]C[6]HH)2(H)	B[3x6](C[6,6]C[6]2H)2(C[6]S[6]HH)(S[6]C[6]C){10|H<1>,1|B<4>,3|C<4>}	C[6,6](B[3x6]C[6,6]C[6]S[6])(C[6]C[6]HH)2(H){1|S<3>,4|C<4>,7|H<1>}	C[6,6](B[3x6]C[6,6]C[6]S[6])(C[6]C[6]HH)2(H){1|S<3>,4|C<4>,7|H<1>}	106.2990	0.000	1	106.2990	0.000	1	106.2990	0.000	1	106.2990	0.000	1	107.5205	5.387	35	106.9651	7.148	128
874	466	466	6:SP3_SP3_SP3	B[3x6]	C[6,6]	C[6,6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-4:	B[3x6]-4:C[3x6]-4:H-1:H-1:	B[3x6]-4:C[3x6]-4:H-1:H-1:	B[3x6](C[6,6]C[3x6]HH)3(NC[3x6]HH)	C[6,6](B[3x6]C[6,6]2N)(C[3x6]C[6,6]2C)(H)2	C[6,6](B[3x6]C[6,6]2N)(C[3x6]C[6,6]2H)(H)2	B[3x6](C[6,6]C[3x6]HH)3(NC[3x6]HH){2|H<1>,4|C<4>}	C[6,6](B[3x6]C[6,6]2N)(C[3x6]C[6,6]2C)(H)2{2|C<4>,8|H<1>}	C[6,6](B[3x6]C[6,6]2N)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	109.1055	0.869	4	109.1055	0.756	4	109.0520	0.503	6	108.8913	0.380	9	107.5205	5.387	35	106.9651	7.148	128
874	466	466	6:SP3_SP3_SP3	B[3x6]	C[6,6]	C[6,6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-4:	B[3x6]-4:C[3x6]-4:H-1:H-1:	B[3x6]-4:C[3x6]-4:H-1:H-1:	B[3x6](C[6,6]C[3x6]HH)3(NC[3x6]HH)	C[6,6](B[3x6]C[6,6]2N)(C[3x6]C[6,6]2H)(H)2	C[6,6](B[3x6]C[6,6]2N)(C[3x6]C[6,6]2H)(H)2	B[3x6](C[6,6]C[3x6]HH)3(NC[3x6]HH){2|H<1>,4|C<4>}	C[6,6](B[3x6]C[6,6]2N)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C[6,6](B[3x6]C[6,6]2N)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	108.9450	0.461	2	108.9450	0.213	2	109.0520	0.503	6	108.8913	0.380	9	107.5205	5.387	35	106.9651	7.148	128
874	466	466	6:SP3_SP3_SP3	B[3x6]	C[6,6]	C[6,6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N[3x6]-4:	B[3x6]-4:C[3x6]-4:H-1:H-1:	B[3x6]-4:C[3x6]-4:H-1:H-1:	B[3x6](C[6,6]C[3x6]HH)3(N[3x6]C[6,6]3)	C[6,6](B[3x6]C[6,6]2N[3x6])(C[3x6]C[6,6]2H)(H)2	C[6,6](B[3x6]C[6,6]2N[3x6])(C[3x6]C[6,6]2H)(H)2	B[3x6](C[6,6]C[3x6]HH)3(N[3x6]C[6,6]3){6|C<4>,9|H<1>}	C[6,6](B[3x6]C[6,6]2N[3x6])(C[3x6]C[6,6]2H)(H)2{5|C<4>,8|H<1>}	C[6,6](B[3x6]C[6,6]2N[3x6])(C[3x6]C[6,6]2H)(H)2{5|C<4>,8|H<1>}	108.5700	0.177	3	108.5700	0.031	3	108.5700	0.031	3	108.8913	0.380	9	107.5205	5.387	35	106.9651	7.148	128
874	466	466	6:SP3_SP3_SP3	B[3x6]	C[6,6]	C[6,6]	4:4:4:4:	4:4:4:1:	4:4:4:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C[6]-4:	B[3x6]-4:C[6]-4:C[6]-4:H-1:	B[3x6]-4:C[6]-4:C[6]-4:H-1:	B[3x6](C[6,6]C[6]2H)2(C[6]S[6]HH)2	C[6,6](B[3x6]C[6,6]C[6]2)(C[6]C[6]HH)2(H)	C[6,6](B[3x6]C[6,6]C[6]2)(C[6]C[6]HH)2(H)	B[3x6](C[6,6]C[6]2H)2(C[6]S[6]HH)2{1|B<4>,4|C<4>,8|H<1>}	C[6,6](B[3x6]C[6,6]C[6]2)(C[6]C[6]HH)2(H){2|C<4>,2|S<3>,9|H<1>}	C[6,6](B[3x6]C[6,6]C[6]2)(C[6]C[6]HH)2(H){2|C<4>,2|S<3>,9|H<1>}	103.2710	0.000	1	103.2710	0.000	1	103.2710	0.000	1	103.2710	0.000	1	107.5205	5.387	35	106.9651	7.148	128
874	466	466	6:SP3_SP3_SP3	B[3x6]	C[6]	C[6]	4:4:4:4:	4:3:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C[6]-4:	B[3x6]-4:S[6]-3:H-1:H-1:	B[3x6]-4:S[6]-3:H-1:H-1:	B[3x6](C[6,6]C[6]2H)2(C[6]S[6]HH)2	C[6](B[3x6]C[6,6]2C[6])(S[6]B[3x6]C)(H)2	C[6](B[3x6]C[6,6]2C[6])(S[6]B[3x6]C)(H)2	B[3x6](C[6,6]C[6]2H)2(C[6]S[6]HH)2{1|B<4>,4|C<4>,8|H<1>}	C[6](B[3x6]C[6,6]2C[6])(S[6]B[3x6]C)(H)2{1|S<3>,4|H<1>,6|C<4>}	C[6](B[3x6]C[6,6]2C[6])(S[6]B[3x6]C)(H)2{1|S<3>,4|H<1>,6|C<4>}	108.2350	0.000	1	108.2350	0.000	1	108.2350	0.000	1	108.2350	0.000	1	108.2350	0.000	1	106.9651	7.148	128
874	466	466	6:SP3_SP3_SP3	B[6,6]	C[6,6]	C[6,6]	4:4:1:1:	4:4:4:1:	4:4:4:1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6](C[6,6]C[6]2H)2(H)2	C[6,6](B[6,6]C[6,6]HH)(C[6]C[6]HH)2(H)	C[6,6](B[6,6]C[6,6]HH)(C[6]C[6]HH)2(H)	B[6,6](C[6,6]C[6]2H)2(H)2{2|C<4>,8|H<1>}	C[6,6](B[6,6]C[6,6]HH)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	C[6,6](B[6,6]C[6,6]HH)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	105.3800	0.000	1	105.3800	0.000	1	105.3800	0.000	1	105.3800	0.000	1	105.5577	1.911	69	106.9651	7.148	128
874	466	466	6:SP3_SP3_SP3	B[6,6]	C[6,6]	C[6,6]	4:4:2:2:	4:4:4:1:	4:4:4:1:	C[6,6]-4:C[6,6]-4:O-2:O-2:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6](C[6,6]C[6]2H)2(OC)2	C[6,6](B[6,6]C[6,6]OO)(C[6]C[6]HH)2(H)	C[6,6](B[6,6]C[6,6]OO)(C[6]C[6]HH)2(H)	B[6,6](C[6,6]C[6]2H)2(OC)2{2|C<4>,8|H<1>}	C[6,6](B[6,6]C[6,6]OO)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	C[6,6](B[6,6]C[6,6]OO)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	107.7447	0.901	4	107.7447	0.812	4	107.8986	0.512	7	107.8986	0.512	7	105.5577	1.911	69	106.9651	7.148	128
874	466	466	6:SP3_SP3_SP3	B[6,6]	C[6,6]	C[6,6]	4:4:2:2:	4:4:4:1:	4:4:4:1:	C[6,6]-4:C[6,6]-4:O-2:O-2:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6](C[6,6]C[6]2H)2(ON)2	C[6,6](B[6,6]C[6,6]OO)(C[6]C[6]HH)2(H)	C[6,6](B[6,6]C[6,6]OO)(C[6]C[6]HH)2(H)	B[6,6](C[6,6]C[6]2H)2(ON)2{2|C<4>,8|H<1>}	C[6,6](B[6,6]C[6,6]OO)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	C[6,6](B[6,6]C[6,6]OO)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	108.1037	0.455	3	108.1037	0.207	3	107.8986	0.512	7	107.8986	0.512	7	105.5577	1.911	69	106.9651	7.148	128
874	466	466	6:SP3_SP3_SP3	B[6,6]	C[6,6]	C[6,6]	4:4:3:1:	4:4:4:1:	4:4:4:1:	C[6,6]-4:C[6,6]-4:C[5]-3:H-1:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6](C[6,6]C[6]2H)2(C[5]C[5]N[5])(H)	C[6,6](B[6,6]C[6,6]C[5]H)(C[6]C[6]HH)2(H)	C[6,6](B[6,6]C[6,6]C[5]H)(C[6]C[6]HH)2(H)	B[6,6](C[6,6]C[6]2H)2(C[5]C[5]N[5])(H){1|N<3>,2|C<4>,3|C<3>,8|H<1>}	C[6,6](B[6,6]C[6,6]C[5]H)(C[6]C[6]HH)2(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6,6](B[6,6]C[6,6]C[5]H)(C[6]C[6]HH)2(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	104.0730	0.000	1	104.0730	0.000	1	104.1142	0.288	13	104.3521	1.126	16	105.5577	1.911	69	106.9651	7.148	128
874	466	466	6:SP3_SP3_SP3	B[6,6]	C[6,6]	C[6,6]	4:4:3:1:	4:4:4:1:	4:4:4:1:	C[6,6]-4:C[6,6]-4:C[5]-3:H-1:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6](C[6,6]C[6]2H)2(C[5]N[5,5]2)(H)	C[6,6](B[6,6]C[6,6]C[5]H)(C[6]C[6]HH)2(H)	C[6,6](B[6,6]C[6,6]C[5]H)(C[6]C[6]HH)2(H)	B[6,6](C[6,6]C[6]2H)2(C[5]N[5,5]2)(H){2|C<3>,4|C<4>,8|H<1>}	C[6,6](B[6,6]C[6,6]C[5]H)(C[6]C[6]HH)2(H){2|C<4>,2|N<3>,5|H<1>}	C[6,6](B[6,6]C[6,6]C[5]H)(C[6]C[6]HH)2(H){2|C<4>,2|N<3>,5|H<1>}	103.9830	1.148	2	103.9830	1.319	2	104.1142	0.288	13	104.3521	1.126	16	105.5577	1.911	69	106.9651	7.148	128
874	466	466	6:SP3_SP3_SP3	B[6,6]	C[6,6]	C[6,6]	4:4:3:1:	4:4:4:1:	4:4:4:1:	C[6,6]-4:C[6,6]-4:C[5]-3:H-1:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6](C[6,6]C[6]2H)2(C[5]N[5]2)(H)	C[6,6](B[6,6]C[6,6]C[5]H)(C[6]C[6]HH)2(H)	C[6,6](B[6,6]C[6,6]C[5]H)(C[6]C[6]HH)2(H)	B[6,6](C[6,6]C[6]2H)2(C[5]N[5]2)(H){2|C<3>,4|C<4>,8|H<1>}	C[6,6](B[6,6]C[6,6]C[5]H)(C[6]C[6]HH)2(H){2|C<4>,2|N<3>,5|H<1>}	C[6,6](B[6,6]C[6,6]C[5]H)(C[6]C[6]HH)2(H){2|C<4>,2|N<3>,5|H<1>}	104.0276	0.434	8	104.1446	0.232	10	104.1142	0.288	13	104.3521	1.126	16	105.5577	1.911	69	106.9651	7.148	128
874	466	466	6:SP3_SP3_SP3	B[6,6]	C[6,6]	C[6,6]	4:4:3:1:	4:4:4:1:	4:4:4:1:	C[6,6]-4:C[6,6]-4:C[5]-3:H-1:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6](C[6,6]C[6]2H)2(C[5]N[5]2)(H)	C[6,6](B[6,6]C[6,6]C[5]H)(C[6]C[6]HH)2(H)	C[6,6](B[6,6]C[6,6]C[5]H)(C[6]C[6]HH)2(H)	B[6,6](C[6,6]C[6]2H)2(C[5]N[5]2)(H){2|C<4>,4|C<3>,8|H<1>}	C[6,6](B[6,6]C[6,6]C[5]H)(C[6]C[6]HH)2(H){2|C<4>,2|N<3>,5|H<1>}	C[6,6](B[6,6]C[6,6]C[5]H)(C[6]C[6]HH)2(H){2|C<4>,2|N<3>,5|H<1>}	104.2780	0.000	1	104.1446	0.232	10	104.1142	0.288	13	104.3521	1.126	16	105.5577	1.911	69	106.9651	7.148	128
874	466	466	6:SP3_SP3_SP3	B[6,6]	C[6,6]	C[6,6]	4:4:3:1:	4:4:4:1:	4:4:4:1:	C[6,6]-4:C[6,6]-4:C[5]-3:H-1:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6](C[6,6]C[6]2H)2(C[5]N[5]2)(H)	C[6,6](B[6,6]C[6,6]C[5]H)(C[6]C[6]HH)2(H)	C[6,6](B[6,6]C[6,6]C[5]H)(C[6]C[6]HH)2(H)	B[6,6](C[6,6]C[6]2H)2(C[5]N[5]2)(H){3|C<3>,3|C<4>,8|H<1>}	C[6,6](B[6,6]C[6,6]C[5]H)(C[6]C[6]HH)2(H){2|C<4>,2|N<3>,5|H<1>}	C[6,6](B[6,6]C[6,6]C[5]H)(C[6]C[6]HH)2(H){2|C<4>,2|N<3>,5|H<1>}	104.9470	0.000	1	104.1446	0.232	10	104.1142	0.288	13	104.3521	1.126	16	105.5577	1.911	69	106.9651	7.148	128
874	466	466	6:SP3_SP3_SP3	B[6,6]	C[6,6]	C[6,6]	4:4:3:1:	4:4:4:1:	4:4:4:1:	C[6,6]-4:C[6,6]-4:C[5]-3:I-1:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6](C[6,6]C[6]2H)2(C[5]N[5]2)(I)	C[6,6](B[6,6]C[6,6]C[5]I)(C[6]C[6]HH)2(H)	C[6,6](B[6,6]C[6,6]C[5]I)(C[6]C[6]HH)2(H)	B[6,6](C[6,6]C[6]2H)2(C[5]N[5]2)(I){1|B<3>,2|C<3>,3|C<4>,8|H<1>}	C[6,6](B[6,6]C[6,6]C[5]I)(C[6]C[6]HH)2(H){2|C<4>,2|N<3>,5|H<1>}	C[6,6](B[6,6]C[6,6]C[5]I)(C[6]C[6]HH)2(H){2|C<4>,2|N<3>,5|H<1>}	107.2720	0.000	1	107.2720	0.000	1	107.2720	0.000	1	104.3521	1.126	16	105.5577	1.911	69	106.9651	7.148	128
874	466	466	6:SP3_SP3_SP3	B[6,6]	C[6,6]	C[6,6]	4:4:3:1:	4:4:4:1:	4:4:4:1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6](C[6,6]C[6]2H)2(C[6]N[6]2)(H)	C[6,6](B[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(H)	C[6,6](B[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(H)	B[6,6](C[6,6]C[6]2H)2(C[6]N[6]2)(H){6|C<4>,8|H<1>}	C[6,6](B[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(H){2|C<4>,2|N<3>,5|H<1>}	C[6,6](B[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(H){2|C<4>,2|N<3>,5|H<1>}	102.9970	0.000	1	102.9970	0.000	1	102.9970	0.000	1	104.3521	1.126	16	105.5577	1.911	69	106.9651	7.148	128
874	466	466	6:SP3_SP3_SP3	B[6,6]	C[6,6]	C[6,6]	4:4:3:1:	4:4:4:1:	4:4:4:1:	C[6,6]-4:C[6,6]-4:N[6]-3:H-1:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6](C[6,6]C[6]2H)2(N[6]C[6]2)(H)	C[6,6](B[6,6]C[6,6]N[6]H)(C[6]C[6]HH)2(H)	C[6,6](B[6,6]C[6,6]N[6]H)(C[6]C[6]HH)2(H)	B[6,6](C[6,6]C[6]2H)2(N[6]C[6]2)(H){10|H<1>,2|C<3>,2|C<4>}	C[6,6](B[6,6]C[6,6]N[6]H)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,5|H<1>}	C[6,6](B[6,6]C[6,6]N[6]H)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,5|H<1>}	105.8800	0.000	1	105.8800	0.000	1	105.8800	0.000	1	104.3521	1.126	16	105.5577	1.911	69	106.9651	7.148	128
874	466	466	6:SP3_SP3_SP3	B[6,6]	C[6,6]	C[6,6]	4:4:3:2:	4:4:4:1:	4:4:4:1:	C[6,6]-4:C[6,6]-4:C[6a]-3:C-2:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6](C[6,6]C[6]2H)2(C[6a]C[6a]2)(CN)	C[6,6](B[6,6]C[6,6]C[6a]C)(C[6]C[6]HH)2(H)	C[6,6](B[6,6]C[6,6]C[6a]C)(C[6]C[6]HH)2(H)	B[6,6](C[6,6]C[6]2H)2(C[6a]C[6a]2)(CN){2|C<3>,2|C<4>,2|F<1>,8|H<1>}	C[6,6](B[6,6]C[6,6]C[6a]C)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,5|H<1>}	C[6,6](B[6,6]C[6,6]C[6a]C)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,5|H<1>}	104.8550	0.000	1	104.8550	0.000	1	104.8550	0.000	1	104.8550	0.000	1	105.5577	1.911	69	106.9651	7.148	128
874	466	466	6:SP3_SP3_SP3	B[6,6]	C[6,6]	C[6,6]	4:4:3:3:	4:4:3:1:	4:4:4:1:	C[6,6]-4:C[6,6]-4:N[5]-3:N[5]-3:	B[6,6]-4:C[6]-4:C[6]-3:H-1:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6](C[6,6]C[6]2H)2(N[5]C[5]2)2	C[6,6](B[6,6]C[6,6]N[5]2)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6,6](B[6,6]C[6,6]N[5]2)(C[6]C[6]HH)2(H)	B[6,6](C[6,6]C[6]2H)2(N[5]C[5]2)2{12|H<1>,2|C<3>,2|C<4>,2|N<3>}	C[6,6](B[6,6]C[6,6]N[5]2)(C[6]C[6]HH)(C[6]C[6]H)(H){3|C<3>,3|C<4>,5|H<1>}	C[6,6](B[6,6]C[6,6]N[5]2)(C[6]C[6]HH)2(H){2|C<4>,4|C<3>,5|H<1>}	107.4680	0.000	1	107.4680	0.000	1	107.4680	0.000	1	107.4680	0.000	1	105.5577	1.911	69	106.9651	7.148	128
874	466	466	6:SP3_SP3_SP3	B[6,6]	C[6,6]	C[6,6]	4:4:3:3:	4:4:4:1:	4:4:4:1:	C[6,6]-4:C[6,6]-4:C[5]-3:C[5]-3:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6](C[6,6]C[6]2H)2(C[5]N[5]2)2	C[6,6](B[6,6]C[6,6]C[5]2)(C[6]C[6]HH)2(H)	C[6,6](B[6,6]C[6,6]C[5]2)(C[6]C[6]HH)2(H)	B[6,6](C[6,6]C[6]2H)2(C[5]N[5]2)2{4|C<3>,6|C<4>,8|H<1>}	C[6,6](B[6,6]C[6,6]C[5]2)(C[6]C[6]HH)2(H){2|C<4>,4|N<3>,5|H<1>}	C[6,6](B[6,6]C[6,6]C[5]2)(C[6]C[6]HH)2(H){2|C<4>,4|N<3>,5|H<1>}	101.9400	0.000	1	101.9400	0.000	1	101.9400	0.000	1	105.7675	2.181	11	105.5577	1.911	69	106.9651	7.148	128
874	466	466	6:SP3_SP3_SP3	B[6,6]	C[6,6]	C[6,6]	4:4:3:3:	4:4:4:1:	4:4:4:1:	C[6,6]-4:C[6,6]-4:N[5]-3:N[5]-3:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6](C[6,6]C[6]2H)2(N[5]C[5]2)2	C[6,6](B[6,6]C[6,6]N[5]2)(C[6]C[6]HH)2(H)	C[6,6](B[6,6]C[6,6]N[5]2)(C[6]C[6]HH)2(H)	B[6,6](C[6,6]C[6]2H)2(N[5]C[5]2)2{10|H<1>,2|C<3>,2|C<4>,2|N<3>,2|S<2>}	C[6,6](B[6,6]C[6,6]N[5]2)(C[6]C[6]HH)2(H){2|C<4>,4|C<3>,5|H<1>}	C[6,6](B[6,6]C[6,6]N[5]2)(C[6]C[6]HH)2(H){2|C<4>,4|C<3>,5|H<1>}	106.0330	0.000	1	106.8590	0.418	4	106.1416	0.711	9	105.7675	2.181	11	105.5577	1.911	69	106.9651	7.148	128
874	466	466	6:SP3_SP3_SP3	B[6,6]	C[6,6]	C[6,6]	4:4:3:3:	4:4:4:1:	4:4:4:1:	C[6,6]-4:C[6,6]-4:N[5]-3:N[5]-3:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6](C[6,6]C[6]2H)2(N[5]C[5]2)2	C[6,6](B[6,6]C[6,6]N[5]2)(C[6]C[6]HH)2(H)	C[6,6](B[6,6]C[6,6]N[5]2)(C[6]C[6]HH)2(H)	B[6,6](C[6,6]C[6]2H)2(N[5]C[5]2)2{12|H<1>,2|C<3>,2|C<4>,2|N<3>}	C[6,6](B[6,6]C[6,6]N[5]2)(C[6]C[6]HH)2(H){2|C<4>,4|C<3>,5|H<1>}	C[6,6](B[6,6]C[6,6]N[5]2)(C[6]C[6]HH)2(H){2|C<4>,4|C<3>,5|H<1>}	107.1343	0.414	3	106.8590	0.418	4	106.1416	0.711	9	105.7675	2.181	11	105.5577	1.911	69	106.9651	7.148	128
874	466	466	6:SP3_SP3_SP3	B[6,6]	C[6,6]	C[6,6]	4:4:3:3:	4:4:4:1:	4:4:4:1:	C[6,6]-4:C[6,6]-4:N[5]-3:N[5]-3:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6](C[6,6]C[6]2H)2(N[5]C[5]N[5])2	C[6,6](B[6,6]C[6,6]N[5]2)(C[6]C[6]HH)2(H)	C[6,6](B[6,6]C[6,6]N[5]2)(C[6]C[6]HH)2(H)	B[6,6](C[6,6]C[6]2H)2(N[5]C[5]N[5])2{10|H<1>,1|Cu<4>,2|C<4>,4|C<3>}	C[6,6](B[6,6]C[6,6]N[5]2)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,2|N<3>,5|H<1>}	C[6,6](B[6,6]C[6,6]N[5]2)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,2|N<3>,5|H<1>}	105.5960	0.000	1	105.5676	0.183	5	106.1416	0.711	9	105.7675	2.181	11	105.5577	1.911	69	106.9651	7.148	128
874	466	466	6:SP3_SP3_SP3	B[6,6]	C[6,6]	C[6,6]	4:4:3:3:	4:4:4:1:	4:4:4:1:	C[6,6]-4:C[6,6]-4:N[5]-3:N[5]-3:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6](C[6,6]C[6]2H)2(N[5]C[5]N[5])2	C[6,6](B[6,6]C[6,6]N[5]2)(C[6]C[6]HH)2(H)	C[6,6](B[6,6]C[6,6]N[5]2)(C[6]C[6]HH)2(H)	B[6,6](C[6,6]C[6]2H)2(N[5]C[5]N[5])2{10|H<1>,1|Ni<4>,2|C<4>,4|C<3>}	C[6,6](B[6,6]C[6,6]N[5]2)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,2|N<3>,5|H<1>}	C[6,6](B[6,6]C[6,6]N[5]2)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,2|N<3>,5|H<1>}	105.6985	0.810	2	105.5676	0.183	5	106.1416	0.711	9	105.7675	2.181	11	105.5577	1.911	69	106.9651	7.148	128
874	466	466	6:SP3_SP3_SP3	B[6,6]	C[6,6]	C[6,6]	4:4:3:3:	4:4:4:1:	4:4:4:1:	C[6,6]-4:C[6,6]-4:N[5]-3:N[5]-3:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6](C[6,6]C[6]2H)2(N[5]C[5]N[5])2	C[6,6](B[6,6]C[6,6]N[5]2)(C[6]C[6]HH)2(H)	C[6,6](B[6,6]C[6,6]N[5]2)(C[6]C[6]HH)2(H)	B[6,6](C[6,6]C[6]2H)2(N[5]C[5]N[5])2{10|H<1>,1|Ni<5>,2|C<4>,4|C<3>}	C[6,6](B[6,6]C[6,6]N[5]2)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,2|N<3>,5|H<1>}	C[6,6](B[6,6]C[6,6]N[5]2)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,2|N<3>,5|H<1>}	105.4225	0.005	2	105.5676	0.183	5	106.1416	0.711	9	105.7675	2.181	11	105.5577	1.911	69	106.9651	7.148	128
874	466	466	6:SP3_SP3_SP3	B[6,6]	C[6,6]	C[6,6]	4:4:3:3:	4:4:4:1:	4:4:4:1:	C[6,6]-4:C[6,6]-4:N[5]-3:O-3:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6](C[6,6]C[6]2H)2(N[5]C[5]N[5])(ONiH)	C[6,6](B[6,6]C[6,6]N[5]O)(C[6]C[6]HH)2(H)	C[6,6](B[6,6]C[6,6]N[5]O)(C[6]C[6]HH)2(H)	B[6,6](C[6,6]C[6]2H)2(N[5]C[5]N[5])(ONiH){2|C<3>,2|C<4>,9|H<1>}	C[6,6](B[6,6]C[6,6]N[5]O)(C[6]C[6]HH)2(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6,6](B[6,6]C[6,6]N[5]O)(C[6]C[6]HH)2(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	106.2290	0.000	1	106.2290	0.000	1	106.2290	0.000	1	105.7675	2.181	11	105.5577	1.911	69	106.9651	7.148	128
874	466	466	6:SP3_SP3_SP3	B[6,6]	C[6,6]	C[6,6]	4:4:3:3:	4:4:4:1:	4:4:4:2:	C[6,6]-4:C[6,6]-4:N[5]-3:N[5]-3:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6]-4:C[6]-4:C[6]-4:H-2:	B[6,6](C[6,6]C[6]2H)2(N[5]C[5]N[5])2	C[6,6](B[6,6]C[6,6]N[5]2)(C[6]C[6]HH)2(H)	C[6,6](B[6,6]C[6,6]N[5]2)(C[6]C[6]HH)2(HNi)	B[6,6](C[6,6]C[6]2H)2(N[5]C[5]N[5])2{1|Ni<5>,3|C<4>,4|C<3>,9|H<1>}	C[6,6](B[6,6]C[6,6]N[5]2)(C[6]C[6]HH)2(H){1|H<2>,2|C<3>,2|C<4>,2|N<3>,4|H<1>}	C[6,6](B[6,6]C[6,6]N[5]2)(C[6]C[6]HH)2(HNi){2|C<3>,2|C<4>,2|N<3>,5|H<1>}	104.5230	0.000	1	104.5230	0.000	1	104.5230	0.000	1	104.5230	0.000	1	105.5577	1.911	69	106.9651	7.148	128
874	466	466	6:SP3_SP3_SP3	B[6,6]	C[6,6]	C[6,6]	4:4:3:4:	4:4:4:1:	4:4:4:1:	C[6,6]-4:C[6,6]-4:N[6]-3:C-4:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6](C[6,6]C[6]2H)2(N[6]C[6]2)(CC[6]HH)	C[6,6](B[6,6]C[6,6]N[6]C)(C[6]C[6]HH)2(H)	C[6,6](B[6,6]C[6,6]N[6]C)(C[6]C[6]HH)2(H)	B[6,6](C[6,6]C[6]2H)2(N[6]C[6]2)(CC[6]HH){2|C<3>,3|C<4>,9|H<1>}	C[6,6](B[6,6]C[6,6]N[6]C)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,5|H<1>}	C[6,6](B[6,6]C[6,6]N[6]C)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,5|H<1>}	103.7950	0.048	2	103.7950	0.002	2	104.4620	1.336	3	105.0534	1.327	5	105.5577	1.911	69	106.9651	7.148	128
874	466	466	6:SP3_SP3_SP3	B[6,6]	C[6,6]	C[6,6]	4:4:3:4:	4:4:4:1:	4:4:4:1:	C[6,6]-4:C[6,6]-4:N[6]-3:C-4:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6](C[6,6]C[6]2H)2(N[6]C[6]2)(CHHI)	C[6,6](B[6,6]C[6,6]N[6]C)(C[6]C[6]HH)2(H)	C[6,6](B[6,6]C[6,6]N[6]C)(C[6]C[6]HH)2(H)	B[6,6](C[6,6]C[6]2H)2(N[6]C[6]2)(CHHI){10|H<1>,2|C<3>,2|C<4>}	C[6,6](B[6,6]C[6,6]N[6]C)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,5|H<1>}	C[6,6](B[6,6]C[6,6]N[6]C)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,5|H<1>}	105.7960	0.000	1	105.7960	0.000	1	104.4620	1.336	3	105.0534	1.327	5	105.5577	1.911	69	106.9651	7.148	128
874	466	466	6:SP3_SP3_SP3	B[6,6]	C[6,6]	C[6,6]	4:4:3:4:	4:4:4:1:	4:4:4:1:	C[6,6]-4:C[6,6]-4:S-3:C-4:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6](C[6,6]C[6]2H)2(SC[6a]Fe)(CCHH)	C[6,6](B[6,6]C[6,6]CS)(C[6]C[6]HH)2(H)	C[6,6](B[6,6]C[6,6]CS)(C[6]C[6]HH)2(H)	B[6,6](C[6,6]C[6]2H)2(SC[6a]Fe)(CCHH){2|C<4>,8|H<1>}	C[6,6](B[6,6]C[6,6]CS)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	C[6,6](B[6,6]C[6,6]CS)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	106.0160	0.000	1	106.0160	0.000	1	105.9405	0.011	2	105.0534	1.327	5	105.5577	1.911	69	106.9651	7.148	128
874	466	466	6:SP3_SP3_SP3	B[6,6]	C[6,6]	C[6,6]	4:4:3:4:	4:4:4:1:	4:4:4:1:	C[6,6]-4:C[6,6]-4:S-3:C-4:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6](C[6,6]C[6]2H)2(SC[6a]Zn)(CCHH)	C[6,6](B[6,6]C[6,6]CS)(C[6]C[6]HH)2(H)	C[6,6](B[6,6]C[6,6]CS)(C[6]C[6]HH)2(H)	B[6,6](C[6,6]C[6]2H)2(SC[6a]Zn)(CCHH){2|C<4>,8|H<1>}	C[6,6](B[6,6]C[6,6]CS)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	C[6,6](B[6,6]C[6,6]CS)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	105.8650	0.000	1	105.8650	0.000	1	105.9405	0.011	2	105.0534	1.327	5	105.5577	1.911	69	106.9651	7.148	128
874	466	466	6:SP3_SP3_SP3	B[6,6]	C[6,6]	C[6,6]	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[6,6]-4:C[6,6]-4:N[5]-4:H-1:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6](C[6,6]C[6]2H)2(N[5]C[5]2Fe)(H)	C[6,6](B[6,6]C[6,6]N[5]H)(C[6]C[6]HH)2(H)	C[6,6](B[6,6]C[6,6]N[5]H)(C[6]C[6]HH)2(H)	B[6,6](C[6,6]C[6]2H)2(N[5]C[5]2Fe)(H){10|H<1>,4|C<4>}	C[6,6](B[6,6]C[6,6]N[5]H)(C[6]C[6]HH)2(H){1|Fe<10>,4|C<4>,5|H<1>}	C[6,6](B[6,6]C[6,6]N[5]H)(C[6]C[6]HH)2(H){1|Fe<10>,4|C<4>,5|H<1>}	106.0945	0.122	2	106.0945	0.015	2	106.0945	0.015	2	106.3813	0.254	3	105.5577	1.911	69	106.9651	7.148	128
874	466	466	6:SP3_SP3_SP3	B[6,6]	C[6,6]	C[6,6]	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[6,6]-4:C[6,6]-4:P-4:H-1:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6](C[6,6]C[6]2H)2(PC3)(H)	C[6,6](B[6,6]C[6,6]HP)(C[6]C[6]HH)2(H)	C[6,6](B[6,6]C[6,6]HP)(C[6]C[6]HH)2(H)	B[6,6](C[6,6]C[6]2H)2(PC3)(H){2|C<4>,8|H<1>}	C[6,6](B[6,6]C[6,6]HP)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	C[6,6](B[6,6]C[6,6]HP)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	106.9550	0.000	1	106.9550	0.000	1	106.9550	0.000	1	106.3813	0.254	3	105.5577	1.911	69	106.9651	7.148	128
874	466	466	6:SP3_SP3_SP3	B[6,6]	C[6,6]	C[6,6]	4:4:4:2:	4:4:4:1:	4:4:4:1:	C[6,6]-4:C[6,6]-4:C-4:N-2:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6](C[6,6]C[6]2H)2(CHHS)(NC)	C[6,6](B[6,6]C[6,6]CN)(C[6]C[6]HH)2(H)	C[6,6](B[6,6]C[6,6]CN)(C[6]C[6]HH)2(H)	B[6,6](C[6,6]C[6]2H)2(CHHS)(NC){2|C<4>,8|H<1>}	C[6,6](B[6,6]C[6,6]CN)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	C[6,6](B[6,6]C[6,6]CN)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	106.6107	0.086	3	106.6107	0.007	3	106.6107	0.007	3	106.4395	0.122	4	105.5577	1.911	69	106.9651	7.148	128
874	466	466	6:SP3_SP3_SP3	B[6,6]	C[6,6]	C[6,6]	4:4:4:2:	4:4:4:1:	4:4:4:1:	C[6,6]-4:C[6,6]-4:C-4:O-2:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6](C[6,6]C[6]2H)2(CCHH)(OC)	C[6,6](B[6,6]C[6,6]CO)(C[6]C[6]HH)2(H)	C[6,6](B[6,6]C[6,6]CO)(C[6]C[6]HH)2(H)	B[6,6](C[6,6]C[6]2H)2(CCHH)(OC){2|C<4>,8|H<1>}	C[6,6](B[6,6]C[6,6]CO)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	C[6,6](B[6,6]C[6,6]CO)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	105.9260	0.000	1	105.9260	0.000	1	105.9260	0.000	1	106.4395	0.122	4	105.5577	1.911	69	106.9651	7.148	128
874	466	466	6:SP3_SP3_SP3	B[6,6]	C[6,6]	C[6,6]	4:4:4:3:	4:4:4:1:	4:4:4:1:	C[6,6]-4:C[6,6]-4:C-4:O-3:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6](C[6,6]C[6]2H)2(CC[6]HH)(OLiC)	C[6,6](B[6,6]C[6,6]CO)(C[6]C[6]HH)2(H)	C[6,6](B[6,6]C[6,6]CO)(C[6]C[6]HH)2(H)	B[6,6](C[6,6]C[6]2H)2(CC[6]HH)(OLiC){2|C<4>,8|H<1>}	C[6,6](B[6,6]C[6,6]CO)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	C[6,6](B[6,6]C[6,6]CO)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	104.6510	0.000	1	104.6510	0.000	1	104.5430	0.023	2	104.5430	0.023	2	105.5577	1.911	69	106.9651	7.148	128
874	466	466	6:SP3_SP3_SP3	B[6,6]	C[6,6]	C[6,6]	4:4:4:3:	4:4:4:1:	4:4:4:1:	C[6,6]-4:C[6,6]-4:C-4:O-3:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6](C[6,6]C[6]2H)2(CHHS)(OLiC)	C[6,6](B[6,6]C[6,6]CO)(C[6]C[6]HH)2(H)	C[6,6](B[6,6]C[6,6]CO)(C[6]C[6]HH)2(H)	B[6,6](C[6,6]C[6]2H)2(CHHS)(OLiC){2|C<4>,8|H<1>}	C[6,6](B[6,6]C[6,6]CO)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	C[6,6](B[6,6]C[6,6]CO)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	104.4350	0.000	1	104.4350	0.000	1	104.5430	0.023	2	104.5430	0.023	2	105.5577	1.911	69	106.9651	7.148	128
874	466	466	6:SP3_SP3_SP3	B[6,6]	C[6,6]	C[6,6]	4:4:4:4:	4:4:4:1:	4:4:4:1:	C[6,6]-4:C[6,6]-4:C-4:N-4:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6](C[6,6]C[6]2H)2(CCHH)(NH3)	C[6,6](B[6,6]C[6,6]CN)(C[6]C[6]HH)2(H)	C[6,6](B[6,6]C[6,6]CN)(C[6]C[6]HH)2(H)	B[6,6](C[6,6]C[6]2H)2(CCHH)(NH3){2|C<4>,8|H<1>}	C[6,6](B[6,6]C[6,6]CN)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	C[6,6](B[6,6]C[6,6]CN)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	105.6827	0.967	3	105.6827	0.936	3	105.7038	0.234	14	105.5076	0.383	17	105.5577	1.911	69	106.9651	7.148	128
874	466	466	6:SP3_SP3_SP3	B[6,6]	C[6,6]	C[6,6]	4:4:4:4:	4:4:4:1:	4:4:4:1:	C[6,6]-4:C[6,6]-4:C-4:N-4:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6](C[6,6]C[6]2H)2(CCHH)(NHHN)	C[6,6](B[6,6]C[6,6]CN)(C[6]C[6]HH)2(H)	C[6,6](B[6,6]C[6,6]CN)(C[6]C[6]HH)2(H)	B[6,6](C[6,6]C[6]2H)2(CCHH)(NHHN){2|C<4>,8|H<1>}	C[6,6](B[6,6]C[6,6]CN)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	C[6,6](B[6,6]C[6,6]CN)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	105.6555	0.307	10	105.6555	0.094	10	105.7038	0.234	14	105.5076	0.383	17	105.5577	1.911	69	106.9651	7.148	128
874	466	466	6:SP3_SP3_SP3	B[6,6]	C[6,6]	C[6,6]	4:4:4:4:	4:4:4:1:	4:4:4:1:	C[6,6]-4:C[6,6]-4:C-4:N-4:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6](C[6,6]C[6]2H)2(CCHH)(NHHO)	C[6,6](B[6,6]C[6,6]CN)(C[6]C[6]HH)2(H)	C[6,6](B[6,6]C[6,6]CN)(C[6]C[6]HH)2(H)	B[6,6](C[6,6]C[6]2H)2(CCHH)(NHHO){2|C<4>,8|H<1>}	C[6,6](B[6,6]C[6,6]CN)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	C[6,6](B[6,6]C[6,6]CN)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	106.2500	0.000	1	106.2500	0.000	1	105.7038	0.234	14	105.5076	0.383	17	105.5577	1.911	69	106.9651	7.148	128
874	466	466	6:SP3_SP3_SP3	B[6,6]	C[6,6]	C[6,6]	4:4:4:4:	4:4:4:1:	4:4:4:1:	C[6,6]-4:C[6,6]-4:N-4:C-4:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6](C[6,6]C[6]2H)2(NFeHH)(CCHH)	C[6,6](B[6,6]C[6,6]CN)(C[6]C[6]HH)2(H)	C[6,6](B[6,6]C[6,6]CN)(C[6]C[6]HH)2(H)	B[6,6](C[6,6]C[6]2H)2(NFeHH)(CCHH){2|C<4>,8|H<1>}	C[6,6](B[6,6]C[6,6]CN)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	C[6,6](B[6,6]C[6,6]CN)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	104.5923	0.143	3	104.5923	0.020	3	104.5923	0.020	3	105.5076	0.383	17	105.5577	1.911	69	106.9651	7.148	128
874	466	466	6:SP3_SP3_SP3	B[6,6]	C[6]	C[6]	4:4:2:2:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:O[6]-2:O[6]-2:	C[6,6]-4:B[6,6]-4:H-1:H-1:	C[6,6]-4:B[6,6]-4:H-1:H-1:	B[6,6](C[6]C[6,6]HH)2(O[6]C[6])2	C[6](C[6,6]C[6,6]C[6]C)(B[6,6]C[6]O[6]2)(H)2	C[6](C[6,6]C[6,6]C[6]H)(B[6,6]C[6]O[6]2)(H)2	B[6,6](C[6]C[6,6]HH)2(O[6]C[6])2{1|H<1>,2|C<3>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(B[6,6]C[6]O[6]2)(H)2{1|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(B[6,6]C[6]O[6]2)(H)2{1|C<4>,3|C<3>,6|H<1>}	113.6385	0.370	2	113.6385	0.137	2	113.6385	0.137	2	113.6385	0.137	2	113.6385	0.137	2	106.9651	7.148	128
874	466	466	6:SP3_SP3_SP3	B[6]	C[6]	C[6]	3:3:4:4:	4:4:1:1:	4:3:1:1:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-4:	B[6]-4:C[6]-4:H-1:H-1:	B[6]-4:C[6]-3:H-1:H-1:	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)2	C[6](B[6]C[6a]2C[6])(C[6]C[6]HP)(H)2	C[6](B[6]C[6a]2C[6])(C[6]C[6]C)(H)2	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)2{1|C<4>,1|H<1>,1|P<4>,4|F<1>,5|C<3>}	C[6](B[6]C[6a]2C[6])(C[6]C[6]HP)(H)2{1|C<4>,3|H<1>,5|C<3>}	C[6](B[6]C[6a]2C[6])(C[6]C[6]C)(H)2{2|C<4>,3|H<1>,4|C<3>}	103.4350	0.000	1	103.4350	0.000	1	103.4350	0.000	1	103.4350	0.000	1	109.9638	9.279	19	106.9651	7.148	128
874	466	466	6:SP3_SP3_SP3	B[6]	C[6]	C[6]	3:3:4:4:	4:4:1:1:	4:4:1:1:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-4:	B[6]-4:C[6]-4:H-1:H-1:	B[6]-4:C[6]-4:H-1:H-1:	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)2	C[6](B[6]C[6a]2C[6])(C[6]C[6]HH)(H)2	C[6](B[6]C[6a]2C[6])(C[6]C[6]HP)(H)2	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)2{1|C<4>,1|P<4>,3|H<1>,4|C<3>,4|F<1>}	C[6](B[6]C[6a]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,4|C<3>,4|H<1>}	C[6](B[6]C[6a]2C[6])(C[6]C[6]HP)(H)2{1|C<4>,4|C<3>,4|H<1>}	107.3680	0.000	1	107.3680	0.000	1	107.4522	0.004	4	110.4718	8.143	13	109.9638	9.279	19	106.9651	7.148	128
874	466	466	6:SP3_SP3_SP3	B[6]	C[6]	C[6]	3:3:4:4:	4:4:1:1:	4:4:1:1:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-4:	B[6]-4:C[6]-4:H-1:H-1:	B[6]-4:C[6]-4:H-1:H-1:	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)2	C[6](B[6]C[6a]2C[6])(C[6]P[6]HH)(H)2	C[6](B[6]C[6a]2C[6])(C[6]P[6]HH)(H)2	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)2{1|P<4>,4|C<3>,4|F<1>,4|H<1>}	C[6](B[6]C[6a]2C[6])(C[6]P[6]HH)(H)2{1|C<4>,3|H<1>,5|C<3>}	C[6](B[6]C[6a]2C[6])(C[6]P[6]HH)(H)2{1|C<4>,3|H<1>,5|C<3>}	107.4830	0.045	2	107.4830	0.002	2	107.4522	0.004	4	110.4718	8.143	13	109.9638	9.279	19	106.9651	7.148	128
874	466	466	6:SP3_SP3_SP3	B[6]	C[6]	C[6]	3:3:4:4:	4:4:1:1:	4:4:1:1:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-4:	B[6]-4:C[6]-4:H-1:H-1:	B[6]-4:C[6]-4:H-1:H-1:	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)2	C[6](B[6]C[6a]2C[6])(C[6]P[6]HH)(H)2	C[6](B[6]C[6a]2C[6])(C[6]P[6]HO)(H)2	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)2{1|O<2>,1|P<4>,3|H<1>,4|C<3>,4|F<1>}	C[6](B[6]C[6a]2C[6])(C[6]P[6]HH)(H)2{1|C<4>,2|H<1>,6|C<3>}	C[6](B[6]C[6a]2C[6])(C[6]P[6]HO)(H)2{1|C<4>,2|H<1>,6|C<3>}	107.4750	0.000	1	107.4750	0.000	1	107.4522	0.004	4	110.4718	8.143	13	109.9638	9.279	19	106.9651	7.148	128
874	466	466	6:SP3_SP3_SP3	B[6]	C[6]	C[6]	3:3:4:4:	4:4:1:1:	4:4:1:1:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-4:	B[6]-4:P[6]-4:H-1:H-1:	B[6]-4:P[6]-4:H-1:H-1:	B[6](C[6a]C[6a]2)2(C[6]P[6]HH)2	C[6](B[6]C[6a]2C[6])(P[6]C[6a]2P[6])(H)2	C[6](B[6]C[6a]2C[6])(P[6]C[6a]2P[6])(H)2	B[6](C[6a]C[6a]2)2(C[6]P[6]HH)2{1|P<3>,4|H<1>,8|C<3>}	C[6](B[6]C[6a]2C[6])(P[6]C[6a]2P[6])(H)2{1|Cr<6>,1|P<4>,2|H<1>,8|C<3>}	C[6](B[6]C[6a]2C[6])(P[6]C[6a]2P[6])(H)2{1|Cr<6>,1|P<4>,2|H<1>,8|C<3>}	110.6630	0.000	1	110.8292	3.411	5	112.0584	6.714	7	110.4718	8.143	13	109.9638	9.279	19	106.9651	7.148	128
874	466	466	6:SP3_SP3_SP3	B[6]	C[6]	C[6]	3:3:4:4:	4:4:1:1:	4:4:1:1:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-4:	B[6]-4:P[6]-4:H-1:H-1:	B[6]-4:P[6]-4:H-1:H-1:	B[6](C[6a]C[6a]2)2(C[6]P[6]HH)2	C[6](B[6]C[6a]2C[6])(P[6]C[6a]2P[6])(H)2	C[6](B[6]C[6a]2C[6])(P[6]C[6a]2P[6])(H)2	B[6](C[6a]C[6a]2)2(C[6]P[6]HH)2{1|P<3>,4|H<1>,8|C<3>}	C[6](B[6]C[6a]2C[6])(P[6]C[6a]2P[6])(H)2{1|Fe<5>,1|P<4>,2|H<1>,8|C<3>}	C[6](B[6]C[6a]2C[6])(P[6]C[6a]2P[6])(H)2{1|Fe<5>,1|P<4>,2|H<1>,8|C<3>}	107.9800	0.000	1	110.8292	3.411	5	112.0584	6.714	7	110.4718	8.143	13	109.9638	9.279	19	106.9651	7.148	128
874	466	466	6:SP3_SP3_SP3	B[6]	C[6]	C[6]	3:3:4:4:	4:4:1:1:	4:4:1:1:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-4:	B[6]-4:P[6]-4:H-1:H-1:	B[6]-4:P[6]-4:H-1:H-1:	B[6](C[6a]C[6a]2)2(C[6]P[6]HH)2	C[6](B[6]C[6a]2C[6])(P[6]C[6a]2P[6])(H)2	C[6](B[6]C[6a]2C[6])(P[6]C[6a]2P[6])(H)2	B[6](C[6a]C[6a]2)2(C[6]P[6]HH)2{1|P<3>,4|H<1>,8|C<3>}	C[6](B[6]C[6a]2C[6])(P[6]C[6a]2P[6])(H)2{1|Mo<6>,1|P<4>,2|H<1>,8|C<3>}	C[6](B[6]C[6a]2C[6])(P[6]C[6a]2P[6])(H)2{1|Mo<6>,1|P<4>,2|H<1>,8|C<3>}	112.1070	0.000	1	110.8292	3.411	5	112.0584	6.714	7	110.4718	8.143	13	109.9638	9.279	19	106.9651	7.148	128
874	466	466	6:SP3_SP3_SP3	B[6]	C[6]	C[6]	3:3:4:4:	4:4:1:1:	4:4:1:1:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-4:	B[6]-4:P[6]-4:H-1:H-1:	B[6]-4:P[6]-4:H-1:H-1:	B[6](C[6a]C[6a]2)2(C[6]P[6]HH)2	C[6](B[6]C[6a]2C[6])(P[6]C[6a]2P[6])(H)2	C[6](B[6]C[6a]2C[6])(P[6]C[6a]2P[6])(H)2	B[6](C[6a]C[6a]2)2(C[6]P[6]HH)2{1|P<3>,4|H<1>,8|C<3>}	C[6](B[6]C[6a]2C[6])(P[6]C[6a]2P[6])(H)2{1|P<4>,1|W<6>,2|H<1>,8|C<3>}	C[6](B[6]C[6a]2C[6])(P[6]C[6a]2P[6])(H)2{1|P<4>,1|W<6>,2|H<1>,8|C<3>}	110.6130	0.000	1	110.8292	3.411	5	112.0584	6.714	7	110.4718	8.143	13	109.9638	9.279	19	106.9651	7.148	128
874	466	466	6:SP3_SP3_SP3	B[6]	C[6]	C[6]	3:3:4:4:	4:4:1:1:	4:4:1:1:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-4:	B[6]-4:P[6]-4:H-1:H-1:	B[6]-4:P[6]-4:H-1:H-1:	B[6](C[6a]C[6a]2)2(C[6]P[6]HH)2	C[6](B[6]C[6a]2C[6])(P[6]C[6a]2P[6])(H)2	C[6](B[6]C[6a]2C[6])(P[6]C[6a]2P[6])(H)2	B[6](C[6a]C[6a]2)2(C[6]P[6]HH)2{1|P<4>,4|H<1>,8|C<3>}	C[6](B[6]C[6a]2C[6])(P[6]C[6a]2P[6])(H)2{2|Co<4>,1|P<4>,2|H<1>,8|C<3>}	C[6](B[6]C[6a]2C[6])(P[6]C[6a]2P[6])(H)2{2|Co<4>,1|P<4>,2|H<1>,8|C<3>}	112.7830	0.000	1	110.8292	3.411	5	112.0584	6.714	7	110.4718	8.143	13	109.9638	9.279	19	106.9651	7.148	128
874	466	466	6:SP3_SP3_SP3	B[6]	C[6]	C[6]	3:3:4:4:	4:4:1:1:	4:4:1:1:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-4:	B[6]-4:P[6]-4:H-1:H-1:	B[6]-4:P[6]-4:H-1:H-1:	B[6](C[6a]C[6a]2)2(C[6]P[6]HH)2	C[6](B[6]C[6a]2C[6])(P[6]Ga[6]CC)(H)2	C[6](B[6]C[6a]2C[6])(P[6]Ga[6]CC)(H)2	B[6](C[6a]C[6a]2)2(C[6]P[6]HH)2{1|Ga<4>,4|C<3>,4|C<4>,4|H<1>}	C[6](B[6]C[6a]2C[6])(P[6]Ga[6]CC)(H)2{1|Ga<4>,1|I<1>,1|P<4>,2|H<1>,4|C<3>}	C[6](B[6]C[6a]2C[6])(P[6]Ga[6]CC)(H)2{1|Ga<4>,1|I<1>,1|P<4>,2|H<1>,4|C<3>}	115.1315	0.443	2	115.1315	0.197	2	112.0584	6.714	7	110.4718	8.143	13	109.9638	9.279	19	106.9651	7.148	128
874	466	466	6:SP3_SP3_SP3	B[6]	C[6]	C[6]	3:3:4:4:	4:4:1:1:	4:4:1:1:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-4:	P[6]-4:B[6]-4:H-1:H-1:	P[6]-4:B[6]-4:H-1:H-1:	B[6](C[6a]C[6a]2)2(C[6]P[6]HH)2	C[6](P[6]C[6a]2Ga[6])(B[6]C[6a]2C[6])(H)2	C[6](P[6]C[6a]2Ga[6])(B[6]C[6a]2C[6])(H)2	B[6](C[6a]C[6a]2)2(C[6]P[6]HH)2{1|Ga<4>,4|H<1>,8|C<3>}	C[6](P[6]C[6a]2Ga[6])(B[6]C[6a]2C[6])(H)2{1|Ga<4>,1|I<1>,1|P<4>,2|H<1>,8|C<3>}	C[6](P[6]C[6a]2Ga[6])(B[6]C[6a]2C[6])(H)2{1|Ga<4>,1|I<1>,1|P<4>,2|H<1>,8|C<3>}	112.1530	0.000	1	112.1530	0.000	1	110.9580	2.856	2	110.4718	8.143	13	109.9638	9.279	19	106.9651	7.148	128
874	466	466	6:SP3_SP3_SP3	B[6]	C[6]	C[6]	3:3:4:4:	4:4:1:1:	4:4:1:1:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-4:	P[6]-4:B[6]-4:H-1:H-1:	P[6]-4:B[6]-4:H-1:H-1:	B[6](C[6a]C[6a]2)2(C[6]P[6]HH)2	C[6](P[6]C[6a]2Ge[6])(B[6]C[6a]2C[6])(H)2	C[6](P[6]C[6a]2Ge[6])(B[6]C[6a]2C[6])(H)2	B[6](C[6a]C[6a]2)2(C[6]P[6]HH)2{1|Ge<3>,4|H<1>,8|C<3>}	C[6](P[6]C[6a]2Ge[6])(B[6]C[6a]2C[6])(H)2{1|C<4>,1|P<4>,2|H<1>,8|C<3>}	C[6](P[6]C[6a]2Ge[6])(B[6]C[6a]2C[6])(H)2{1|C<4>,1|P<4>,2|H<1>,8|C<3>}	109.7630	0.000	1	109.7630	0.000	1	110.9580	2.856	2	110.4718	8.143	13	109.9638	9.279	19	106.9651	7.148	128
874	466	466	6:SP3_SP3_SP3	B[6]	C[6]	C[6]	4:3:3:4:	3:4:1:1:	4:4:1:1:	C[6]-4:C[6a]-3:C[6a]-3:C[6]-4:	C[6,6]-3:B[6]-4:H-1:H-1:	B[6]-4:C[6]-4:H-1:H-1:	B[6](C[6]C[6,6]HH)(C[6a]C[6a]2)2(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(B[6]C[6a]2C[6])(H)2	C[6](B[6]C[6a]2C[6])(C[6]C[6,6]HP)(H)2	B[6](C[6]C[6,6]HH)(C[6a]C[6a]2)2(C[6]C[6]HH){1|C<4>,1|H<1>,1|P<4>,4|F<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])(B[6]C[6a]2C[6])(H)2{3|C<4>,4|C<3>,4|H<1>}	C[6](B[6]C[6a]2C[6])(C[6]C[6,6]HP)(H)2{1|C<4>,3|H<1>,5|C<3>}	105.7410	0.000	1	105.7410	0.000	1	105.7410	0.000	1	105.7410	0.000	1	109.9638	9.279	19	106.9651	7.148	128
874	466	466	6:SP3_SP3_SP3	B[6]	C[6]	C[6]	4:4:3:1:	4:4:4:1:	4:4:4:1:	C[6]-4:C[6]-4:N[6]-3:H-1:	B[6]-4:C[6]-4:C-4:H-1:	B[6]-4:C[6]-4:C-4:H-1:	B[6](C[6]C[6]CH)2(N[6]C[6]2)(H)	C[6](B[6]C[6]N[6]H)(C[6]N[6]HH)(CCCH)(H)	C[6](B[6]C[6]N[6]H)(C[6]N[6]HH)(CCCH)(H)	B[6](C[6]C[6]CH)2(N[6]C[6]2)(H){1|N<3>,2|C<3>,6|H<1>}	C[6](B[6]C[6]N[6]H)(C[6]N[6]HH)(CCCH)(H){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	C[6](B[6]C[6]N[6]H)(C[6]N[6]HH)(CCCH)(H){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	111.7450	0.000	1	111.7450	0.000	1	111.7450	0.000	1	111.7450	0.000	1	109.9638	9.279	19	106.9651	7.148	128
874	466	466	6:SP3_SP3_SP3	B[6]	C[6]	C[6]	4:4:3:3:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C[6a]-3:C[6a]-3:	C[3x6]-4:B[6]-4:H-1:H-1:	C[6,6]-4:B[6]-4:H-1:H-1:	B[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(C[6a]C[6a]2)2	C[6](C[3x6]C[6,6]2C[6])(B[6]C[6a]2C[6])(H)2	C[6](C[6,6]C[6,6]C[6]P)(B[6]C[6a]2C[6])(H)2	B[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(C[6a]C[6a]2)2{1|P<4>,4|C<3>,4|C<4>,4|F<1>}	C[6](C[3x6]C[6,6]2C[6])(B[6]C[6a]2C[6])(H)2{3|C<4>,6|C<3>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]P)(B[6]C[6a]2C[6])(H)2{1|C<4>,5|C<3>,6|H<1>}	110.2380	0.000	1	110.2380	0.000	1	110.2380	0.000	1	110.2380	0.000	1	109.9638	9.279	19	106.9651	7.148	128
874	466	466	6:SP3_SP3_SP3	B[6]	C[6]	C[6]	4:4:4:2:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:B[6]-4:H-1:H-1:	C[6,6]-4:B[6]-4:H-1:H-1:	B[6](C[6]C[6,6]HH)2(CCHH)(OS)	C[6](C[6,6]C[6,6]C[6]H)(B[6]C[6]CO)(H)2	C[6](C[6,6]C[6,6]C[6]H)(B[6]C[6]CO)(H)2	B[6](C[6]C[6,6]HH)2(CCHH)(OS){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(B[6]C[6]CO)(H)2{2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(B[6]C[6]CO)(H)2{2|C<4>,6|H<1>}	111.0100	0.231	2	111.0100	0.053	2	111.0100	0.053	2	111.0100	0.053	2	109.9638	9.279	19	106.9651	7.148	128
874	466	474	6:SP3_SP3_SP3	B[6]	C[6]	C[5,6,6]	4:3:3:4:	4:4:1:1:	4:4:4:1:	C[5,6,6]-4:C[6a]-3:C[6a]-3:C[6]-4:	B[6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6,6]-4:B[6]-4:H-1:	B[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6a]C[6a]2)2(C[6]C[6]HH)	C[6](B[6]C[5,6,6]C[6a]2)(C[6]P[6]HH)(H)2	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]P[6]H)(B[6]C[6a]2C[6])(H)	B[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6a]C[6a]2)2(C[6]C[6]HH){1|P<4>,3|C<4>,4|C<3>,4|F<1>,4|H<1>}	C[6](B[6]C[5,6,6]C[6a]2)(C[6]P[6]HH)(H)2{1|H<1>,2|C<4>,6|C<3>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]P[6]H)(B[6]C[6a]2C[6])(H){2|C<4>,6|C<3>,7|H<1>}	111.9980	0.000	1	111.9980	0.000	1	111.9980	0.000	1	111.9980	0.000	1	111.9980	0.000	1	111.7210	0.153	2
874	466	474	6:SP3_SP3_SP3	B[6]	C[6]	C[5,6]	4:3:3:4:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6a]-3:C[6a]-3:C[6]-4:	B[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:B[6]-4:C[5,6]-4:H-1:	B[6](C[5,6]C[5,6]2H)(C[6a]C[6a]2)2(C[6]C[6]HH)	C[6](B[6]C[5,6]C[6a]2)(C[6]P[6]HH)(H)2	C[5,6](C[5,6]C[5]P[6]H)(B[6]C[6a]2C[6])(C[5,6]C[5,6]2H)(H)	B[6](C[5,6]C[5,6]2H)(C[6a]C[6a]2)2(C[6]C[6]HH){1|C<4>,1|P<4>,4|F<1>,4|H<1>,6|C<3>}	C[6](B[6]C[5,6]C[6a]2)(C[6]P[6]HH)(H)2{1|H<1>,2|C<4>,6|C<3>}	C[5,6](C[5,6]C[5]P[6]H)(B[6]C[6a]2C[6])(C[5,6]C[5,6]2H)(H){2|C<4>,4|H<1>,8|C<3>}	111.4440	0.000	1	111.4440	0.000	1	111.4440	0.000	1	111.4440	0.000	1	111.4440	0.000	1	111.7210	0.153	2
874	466	490	0:SP3_SP3_SP3	B[6,6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:N[6]-3:C-4:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6]-4:H-1:H-1:I-1:	B[6,6](C[6,6]C[6]2H)2(N[6]C[6]2)(CHHI)	C[6,6](B[6,6]C[6,6]N[6]C)(C[6]C[6]HH)2(H)	C(B[6,6]C[6,6]2N[6])(H)2(I)	B[6,6](C[6,6]C[6]2H)2(N[6]C[6]2)(CHHI){10|H<1>,2|C<3>,2|C<4>}	C[6,6](B[6,6]C[6,6]N[6]C)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,5|H<1>}	C(B[6,6]C[6,6]2N[6])(H)2(I)	113.0645	4.513	2	113.0645	20.371	2	113.0645	20.371	2	113.0645	20.371	2	114.4378	3.460	56	114.4352	3.111	63
874	466	490	0:SP3_SP3_SP3	B[6,6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:N[6]-3:C-4:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6]-4:C[6]-3:H-1:H-1:	B[6,6](C[6,6]C[6]2H)2(N[6]C[6]2)(CC[6]HH)	C[6,6](B[6,6]C[6,6]N[6]C)(C[6]C[6]HH)2(H)	C(B[6,6]C[6,6]2N[6])(C[6]C[6]N[6])(H)2	B[6,6](C[6,6]C[6]2H)2(N[6]C[6]2)(CC[6]HH){2|C<3>,3|C<4>,9|H<1>}	C[6,6](B[6,6]C[6,6]N[6]C)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,5|H<1>}	C(B[6,6]C[6,6]2N[6])(C[6]C[6]N[6])(H)2	112.6292	0.653	4	112.6292	0.427	4	112.6292	0.427	4	112.6292	0.427	4	114.4378	3.460	56	114.4352	3.111	63
874	466	490	0:SP3_SP3_SP3	B[6,6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:S-3:C-4:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6]-4:C-4:H-1:H-1:	B[6,6](C[6,6]C[6]2H)2(SC[6a]Fe)(CCHH)	C[6,6](B[6,6]C[6,6]CS)(C[6]C[6]HH)2(H)	C(B[6,6]C[6,6]2S)(CCHH)(H)2	B[6,6](C[6,6]C[6]2H)2(SC[6a]Fe)(CCHH){2|C<4>,8|H<1>}	C[6,6](B[6,6]C[6,6]CS)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	C(B[6,6]C[6,6]2S)(CCHH)(H)2	115.2505	1.975	2	115.2505	3.900	2	115.3770	2.399	4	115.3770	2.399	4	114.4378	3.460	56	114.4352	3.111	63
874	466	490	0:SP3_SP3_SP3	B[6,6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:S-3:C-4:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6]-4:C-4:H-1:H-1:	B[6,6](C[6,6]C[6]2H)2(SC[6a]Zn)(CCHH)	C[6,6](B[6,6]C[6,6]CS)(C[6]C[6]HH)2(H)	C(B[6,6]C[6,6]2S)(CCHH)(H)2	B[6,6](C[6,6]C[6]2H)2(SC[6a]Zn)(CCHH){2|C<4>,8|H<1>}	C[6,6](B[6,6]C[6,6]CS)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	C(B[6,6]C[6,6]2S)(CCHH)(H)2	115.5035	1.798	2	115.5035	3.233	2	115.3770	2.399	4	115.3770	2.399	4	114.4378	3.460	56	114.4352	3.111	63
874	466	490	0:SP3_SP3_SP3	B[6,6]	C[6,6]	C	4:4:4:2:	4:4:4:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C-4:N-2:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6]-4:S-3:H-1:H-1:	B[6,6](C[6,6]C[6]2H)2(CHHS)(NC)	C[6,6](B[6,6]C[6,6]CN)(C[6]C[6]HH)2(H)	C(B[6,6]C[6,6]2N)(SCC)(H)2	B[6,6](C[6,6]C[6]2H)2(CHHS)(NC){2|C<4>,8|H<1>}	C[6,6](B[6,6]C[6,6]CN)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	C(B[6,6]C[6,6]2N)(SCC)(H)2	114.6415	2.849	6	114.6415	8.117	6	114.6415	8.117	6	114.6415	8.117	6	114.4378	3.460	56	114.4352	3.111	63
874	466	490	0:SP3_SP3_SP3	B[6,6]	C[6,6]	C	4:4:4:2:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C-4:O-2:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6]-4:C-4:H-1:H-1:	B[6,6](C[6,6]C[6]2H)2(CCHH)(OC)	C[6,6](B[6,6]C[6,6]CO)(C[6]C[6]HH)2(H)	C(B[6,6]C[6,6]2O)(CHHP)(H)2	B[6,6](C[6,6]C[6]2H)2(CCHH)(OC){2|C<4>,8|H<1>}	C[6,6](B[6,6]C[6,6]CO)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	C(B[6,6]C[6,6]2O)(CHHP)(H)2	115.2150	0.593	2	115.2150	0.351	2	115.2150	0.351	2	115.2150	0.351	2	114.4378	3.460	56	114.4352	3.111	63
874	466	490	0:SP3_SP3_SP3	B[6,6]	C[6,6]	C	4:4:4:3:	4:4:4:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C-4:O-3:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6]-4:C[6]-3:H-1:H-1:	B[6,6](C[6,6]C[6]2H)2(CC[6]HH)(OLiC)	C[6,6](B[6,6]C[6,6]CO)(C[6]C[6]HH)2(H)	C(B[6,6]C[6,6]2O)(C[6]C[6]N[6])(H)2	B[6,6](C[6,6]C[6]2H)2(CC[6]HH)(OLiC){2|C<4>,8|H<1>}	C[6,6](B[6,6]C[6,6]CO)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	C(B[6,6]C[6,6]2O)(C[6]C[6]N[6])(H)2	112.6880	0.585	2	112.6880	0.343	2	112.6880	0.343	2	112.8377	0.522	4	114.4378	3.460	56	114.4352	3.111	63
874	466	490	0:SP3_SP3_SP3	B[6,6]	C[6,6]	C	4:4:4:3:	4:4:4:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C-4:O-3:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6]-4:S-3:H-1:H-1:	B[6,6](C[6,6]C[6]2H)2(CHHS)(OLiC)	C[6,6](B[6,6]C[6,6]CO)(C[6]C[6]HH)2(H)	C(B[6,6]C[6,6]2O)(SLiC)(H)2	B[6,6](C[6,6]C[6]2H)2(CHHS)(OLiC){2|C<4>,8|H<1>}	C[6,6](B[6,6]C[6,6]CO)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	C(B[6,6]C[6,6]2O)(SLiC)(H)2	112.9875	1.064	2	112.9875	1.133	2	112.9875	1.133	2	112.8377	0.522	4	114.4378	3.460	56	114.4352	3.111	63
874	466	490	0:SP3_SP3_SP3	B[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C-4:N-4:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6]-4:C-4:H-1:H-1:	B[6,6](C[6,6]C[6]2H)2(CCHH)(NH3)	C[6,6](B[6,6]C[6,6]CN)(C[6]C[6]HH)2(H)	C(B[6,6]C[6,6]2N)(CCHH)(H)2	B[6,6](C[6,6]C[6]2H)2(CCHH)(NH3){2|C<4>,8|H<1>}	C[6,6](B[6,6]C[6,6]CN)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	C(B[6,6]C[6,6]2N)(CCHH)(H)2	115.1350	1.170	6	115.1350	1.368	6	114.9380	1.714	28	114.7274	2.546	34	114.4378	3.460	56	114.4352	3.111	63
874	466	490	0:SP3_SP3_SP3	B[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C-4:N-4:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6]-4:C-4:H-1:H-1:	B[6,6](C[6,6]C[6]2H)2(CCHH)(NHHN)	C[6,6](B[6,6]C[6,6]CN)(C[6]C[6]HH)2(H)	C(B[6,6]C[6,6]2N)(CCHH)(H)2	B[6,6](C[6,6]C[6]2H)2(CCHH)(NHHN){2|C<4>,8|H<1>}	C[6,6](B[6,6]C[6,6]CN)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	C(B[6,6]C[6,6]2N)(CCHH)(H)2	114.9906	1.028	16	114.9906	1.057	16	114.9380	1.714	28	114.7274	2.546	34	114.4378	3.460	56	114.4352	3.111	63
874	466	490	0:SP3_SP3_SP3	B[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C-4:N-4:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6]-4:C-4:H-1:H-1:	B[6,6](C[6,6]C[6]2H)2(CCHH)(NHHN)	C[6,6](B[6,6]C[6,6]CN)(C[6]C[6]HH)2(H)	C(B[6,6]C[6,6]2N)(CN[5]HH)(H)2	B[6,6](C[6,6]C[6]2H)2(CCHH)(NHHN){2|C<4>,8|H<1>}	C[6,6](B[6,6]C[6,6]CN)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	C(B[6,6]C[6,6]2N)(CN[5]HH)(H)2	114.4200	2.449	4	114.4200	5.996	4	114.9380	1.714	28	114.7274	2.546	34	114.4378	3.460	56	114.4352	3.111	63
874	466	490	0:SP3_SP3_SP3	B[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C-4:N-4:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6]-4:C-4:H-1:H-1:	B[6,6](C[6,6]C[6]2H)2(CCHH)(NHHO)	C[6,6](B[6,6]C[6,6]CN)(C[6]C[6]HH)2(H)	C(B[6,6]C[6,6]2N)(CCHH)(H)2	B[6,6](C[6,6]C[6]2H)2(CCHH)(NHHO){2|C<4>,8|H<1>}	C[6,6](B[6,6]C[6,6]CN)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	C(B[6,6]C[6,6]2N)(CCHH)(H)2	114.9620	2.056	2	114.9620	4.228	2	114.9380	1.714	28	114.7274	2.546	34	114.4378	3.460	56	114.4352	3.111	63
874	466	490	0:SP3_SP3_SP3	B[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:N-4:C-4:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6]-4:C-4:H-1:H-1:	B[6,6](C[6,6]C[6]2H)2(NFeHH)(CCHH)	C[6,6](B[6,6]C[6,6]CN)(C[6]C[6]HH)2(H)	C(B[6,6]C[6,6]2N)(CCHH)(H)2	B[6,6](C[6,6]C[6]2H)2(NFeHH)(CCHH){2|C<4>,8|H<1>}	C[6,6](B[6,6]C[6,6]CN)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	C(B[6,6]C[6,6]2N)(CCHH)(H)2	113.7450	2.479	6	113.7450	6.145	6	113.7450	6.145	6	114.7274	2.546	34	114.4378	3.460	56	114.4352	3.111	63
874	466	490	0:SP3_SP3_SP3	B[6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:3:1:1:	P[6]-4:C[6a]-3:C[6]-4:C-4:	B[6]-4:P[6]-4:H-1:H-1:	B[6]-4:P-3:H-1:H-1:	B[6](P[6]C[6a]2C[6])(C[6a]C[6a]2)(C[6]P[6]HH)(CHHP)	C[6](B[6]C[6a]P[6]C)(P[6]C[6a]2B[6])(H)2	C(B[6]C[6a]C[6]P[6])(PC[6a]2)(H)2	B[6](P[6]C[6a]2C[6])(C[6a]C[6a]2)(C[6]P[6]HH)(CHHP){1|B<4>,4|H<1>,8|C<3>}	C[6](B[6]C[6a]P[6]C)(P[6]C[6a]2B[6])(H)2{2|C<4>,9|C<3>}	C(B[6]C[6a]C[6]P[6])(PC[6a]2)(H)2	113.8513	0.569	3	113.8513	0.324	3	113.8513	0.324	3	113.8513	0.324	3	114.4141	0.429	7	114.4352	3.111	63
874	466	490	0:SP3_SP3_SP3	B[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:B[6]-4:H-1:H-1:	B[6]-4:C-4:H-1:H-1:	B[6](C[6]C[6,6]HH)2(CCHH)(OS)	C[6](C[6,6]C[6,6]C[6]H)(B[6]C[6]CO)(H)2	C(B[6]C[6]2O)(CC[6]HH)(H)2	B[6](C[6]C[6,6]HH)2(CCHH)(OS){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(B[6]C[6]CO)(H)2{2|C<4>,6|H<1>}	C(B[6]C[6]2O)(CC[6]HH)(H)2	114.8362	0.298	4	114.8362	0.089	4	114.8362	0.089	4	114.8362	0.089	4	114.4141	0.429	7	114.4352	3.111	63
874	466	542	0:SP3_SP2_SP3	B[6,6]	C[6,6]	N[5]	4:4:3:3:	4:4:3:1:	4:3:3:	C[6,6]-4:C[6,6]-4:N[5]-3:N[5]-3:	B[6,6]-4:C[6]-4:C[6]-3:H-1:	B[6,6]-4:C[5]-3:C[5]-3:	B[6,6](C[6,6]C[6]2H)2(N[5]C[5]2)2	C[6,6](B[6,6]C[6,6]N[5]2)(C[6]C[6]HH)(C[6]C[6]H)(H)	N[5](B[6,6]C[6,6]2N[5])(C[5]C[5]H)(C[5]N[5]H)	B[6,6](C[6,6]C[6]2H)2(N[5]C[5]2)2{12|H<1>,2|C<3>,2|C<4>,2|N<3>}	C[6,6](B[6,6]C[6,6]N[5]2)(C[6]C[6]HH)(C[6]C[6]H)(H){3|C<3>,3|C<4>,5|H<1>}	N[5](B[6,6]C[6,6]2N[5])(C[5]C[5]H)(C[5]N[5]H){2|C<3>,3|H<1>,5|C<4>}	111.1150	0.000	1	111.1150	0.000	1	111.1150	0.000	1	111.1150	0.000	1	112.1972	1.954	44	112.1972	1.954	44
874	466	542	0:SP3_SP2_SP3	B[6,6]	C[6,6]	N[5]	4:4:3:3:	4:4:3:1:	4:4:3:	C[6,6]-4:C[6,6]-4:N[5]-3:N[5]-3:	B[6,6]-4:C[6]-4:C[6]-3:H-1:	B[6,6]-4:C[5]-4:C[5]-3:	B[6,6](C[6,6]C[6]2H)2(N[5]C[5]2)2	C[6,6](B[6,6]C[6,6]N[5]2)(C[6]C[6]HH)(C[6]C[6]H)(H)	N[5](B[6,6]C[6,6]2N[5])(C[5]C[5]HH)(C[5]N[5]H)	B[6,6](C[6,6]C[6]2H)2(N[5]C[5]2)2{12|H<1>,2|C<3>,2|C<4>,2|N<3>}	C[6,6](B[6,6]C[6,6]N[5]2)(C[6]C[6]HH)(C[6]C[6]H)(H){3|C<3>,3|C<4>,5|H<1>}	N[5](B[6,6]C[6,6]2N[5])(C[5]C[5]HH)(C[5]N[5]H){3|C<3>,3|H<1>,4|C<4>}	111.3290	0.000	1	111.3290	0.000	1	111.3290	0.000	1	111.3290	0.000	1	112.1972	1.954	44	112.1972	1.954	44
874	466	542	0:SP3_SP2_SP3	B[6,6]	C[6,6]	N[5]	4:4:3:3:	4:4:4:1:	4:3:3:	C[6,6]-4:C[6,6]-4:N[5]-3:N[5]-3:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6]-4:C[5]-3:C[5]-3:	B[6,6](C[6,6]C[6]2H)2(N[5]C[5]2)2	C[6,6](B[6,6]C[6,6]N[5]2)(C[6]C[6]HH)2(H)	N[5](B[6,6]C[6,6]2N[5])(C[5]C[5]H)(C[5]N[5]H)	B[6,6](C[6,6]C[6]2H)2(N[5]C[5]2)2{12|H<1>,2|C<3>,2|C<4>,2|N<3>}	C[6,6](B[6,6]C[6,6]N[5]2)(C[6]C[6]HH)2(H){2|C<4>,4|C<3>,5|H<1>}	N[5](B[6,6]C[6,6]2N[5])(C[5]C[5]H)(C[5]N[5]H){2|C<3>,3|H<1>,5|C<4>}	111.7851	1.043	13	111.7851	1.088	13	111.9066	1.745	15	112.3273	2.001	39	112.1972	1.954	44	112.1972	1.954	44
874	466	542	0:SP3_SP2_SP3	B[6,6]	C[6,6]	N[5]	4:4:3:3:	4:4:4:1:	4:3:3:	C[6,6]-4:C[6,6]-4:N[5]-3:N[5]-3:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6]-4:C[5]-3:C[5]-3:	B[6,6](C[6,6]C[6]2H)2(N[5]C[5]2)2	C[6,6](B[6,6]C[6,6]N[5]2)(C[6]C[6]HH)2(H)	N[5](B[6,6]C[6,6]2N[5])(C[5]C[5]H)(C[5]N[5]S)	B[6,6](C[6,6]C[6]2H)2(N[5]C[5]2)2{10|H<1>,2|C<3>,2|C<4>,2|N<3>,2|S<2>}	C[6,6](B[6,6]C[6,6]N[5]2)(C[6]C[6]HH)2(H){2|C<4>,4|C<3>,5|H<1>}	N[5](B[6,6]C[6,6]2N[5])(C[5]C[5]H)(C[5]N[5]S){2|C<3>,3|H<1>,5|C<4>}	112.6965	3.152	2	112.6965	9.932	2	111.9066	1.745	15	112.3273	2.001	39	112.1972	1.954	44	112.1972	1.954	44
874	466	542	0:SP3_SP2_SP3	B[6,6]	C[6,6]	N[5]	4:4:3:3:	4:4:4:1:	4:3:3:	C[6,6]-4:C[6,6]-4:N[5]-3:N[5]-3:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6]-4:N[5]-3:C[5]-3:	B[6,6](C[6,6]C[6]2H)2(N[5]C[5]N[5])2	C[6,6](B[6,6]C[6,6]N[5]2)(C[6]C[6]HH)2(H)	N[5](B[6,6]C[6,6]2N[5])(N[5]C[5]Cu)(C[5]C[5]H)	B[6,6](C[6,6]C[6]2H)2(N[5]C[5]N[5])2{10|H<1>,1|Cu<4>,2|C<4>,4|C<3>}	C[6,6](B[6,6]C[6,6]N[5]2)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,2|N<3>,5|H<1>}	N[5](B[6,6]C[6,6]2N[5])(N[5]C[5]Cu)(C[5]C[5]H){1|C<3>,1|N<3>,4|C<4>,4|H<1>}	111.9172	1.314	4	111.9172	1.727	4	112.5774	2.249	22	112.3273	2.001	39	112.1972	1.954	44	112.1972	1.954	44
874	466	542	0:SP3_SP2_SP3	B[6,6]	C[6,6]	N[5]	4:4:3:3:	4:4:4:1:	4:3:3:	C[6,6]-4:C[6,6]-4:N[5]-3:N[5]-3:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6]-4:N[5]-3:C[5]-3:	B[6,6](C[6,6]C[6]2H)2(N[5]C[5]N[5])2	C[6,6](B[6,6]C[6,6]N[5]2)(C[6]C[6]HH)2(H)	N[5](B[6,6]C[6,6]2N[5])(N[5]C[5]Ni)(C[5]C[5]C)	B[6,6](C[6,6]C[6]2H)2(N[5]C[5]N[5])2{1|Ni<5>,3|C<4>,4|C<3>,9|H<1>}	C[6,6](B[6,6]C[6,6]N[5]2)(C[6]C[6]HH)2(H){1|H<2>,2|C<3>,2|C<4>,2|N<3>,4|H<1>}	N[5](B[6,6]C[6,6]2N[5])(N[5]C[5]Ni)(C[5]C[5]C){1|C<3>,1|H<2>,1|N<3>,3|H<1>,4|C<4>}	115.0280	0.000	1	115.0280	0.000	1	112.5774	2.249	22	112.3273	2.001	39	112.1972	1.954	44	112.1972	1.954	44
874	466	542	0:SP3_SP2_SP3	B[6,6]	C[6,6]	N[5]	4:4:3:3:	4:4:4:1:	4:3:3:	C[6,6]-4:C[6,6]-4:N[5]-3:N[5]-3:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6]-4:N[5]-3:C[5]-3:	B[6,6](C[6,6]C[6]2H)2(N[5]C[5]N[5])2	C[6,6](B[6,6]C[6,6]N[5]2)(C[6]C[6]HH)2(H)	N[5](B[6,6]C[6,6]2N[5])(N[5]C[5]Ni)(C[5]C[5]H)	B[6,6](C[6,6]C[6]2H)2(N[5]C[5]N[5])2{10|H<1>,1|Ni<4>,2|C<4>,4|C<3>}	C[6,6](B[6,6]C[6,6]N[5]2)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,2|N<3>,5|H<1>}	N[5](B[6,6]C[6,6]2N[5])(N[5]C[5]Ni)(C[5]C[5]H){1|C<3>,1|N<3>,3|H<1>,5|C<4>}	113.1287	0.672	4	112.5886	2.143	17	112.5774	2.249	22	112.3273	2.001	39	112.1972	1.954	44	112.1972	1.954	44
874	466	542	0:SP3_SP2_SP3	B[6,6]	C[6,6]	N[5]	4:4:3:3:	4:4:4:1:	4:3:3:	C[6,6]-4:C[6,6]-4:N[5]-3:N[5]-3:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6]-4:N[5]-3:C[5]-3:	B[6,6](C[6,6]C[6]2H)2(N[5]C[5]N[5])2	C[6,6](B[6,6]C[6,6]N[5]2)(C[6]C[6]HH)2(H)	N[5](B[6,6]C[6,6]2N[5])(N[5]C[5]Ni)(C[5]C[5]H)	B[6,6](C[6,6]C[6]2H)2(N[5]C[5]N[5])2{10|H<1>,1|Ni<4>,2|C<4>,4|C<3>}	C[6,6](B[6,6]C[6,6]N[5]2)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,2|N<3>,5|H<1>}	N[5](B[6,6]C[6,6]2N[5])(N[5]C[5]Ni)(C[5]C[5]H){1|C<3>,1|N<3>,4|C<4>,4|H<1>}	112.4690	2.109	4	112.5886	2.143	17	112.5774	2.249	22	112.3273	2.001	39	112.1972	1.954	44	112.1972	1.954	44
874	466	542	0:SP3_SP2_SP3	B[6,6]	C[6,6]	N[5]	4:4:3:3:	4:4:4:1:	4:3:3:	C[6,6]-4:C[6,6]-4:N[5]-3:N[5]-3:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6]-4:N[5]-3:C[5]-3:	B[6,6](C[6,6]C[6]2H)2(N[5]C[5]N[5])2	C[6,6](B[6,6]C[6,6]N[5]2)(C[6]C[6]HH)2(H)	N[5](B[6,6]C[6,6]2N[5])(N[5]C[5]Ni)(C[5]C[5]H)	B[6,6](C[6,6]C[6]2H)2(N[5]C[5]N[5])2{10|H<1>,1|Ni<5>,2|C<4>,4|C<3>}	C[6,6](B[6,6]C[6,6]N[5]2)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,2|N<3>,5|H<1>}	N[5](B[6,6]C[6,6]2N[5])(N[5]C[5]Ni)(C[5]C[5]H){1|C<3>,1|N<3>,3|H<1>,5|C<4>}	112.1675	1.420	8	112.5886	2.143	17	112.5774	2.249	22	112.3273	2.001	39	112.1972	1.954	44	112.1972	1.954	44
874	466	542	0:SP3_SP2_SP3	B[6,6]	C[6,6]	N[5]	4:4:3:3:	4:4:4:1:	4:3:3:	C[6,6]-4:C[6,6]-4:N[5]-3:N[5]-3:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6]-4:N[5]-3:C[5]-3:	B[6,6](C[6,6]C[6]2H)2(N[5]C[5]N[5])2	C[6,6](B[6,6]C[6,6]N[5]2)(C[6]C[6]HH)2(H)	N[5](B[6,6]C[6,6]2N[5])(N[5]C[5]Ni)(C[5]C[5]H)	B[6,6](C[6,6]C[6]2H)2(N[5]C[5]N[5])2{1|Ni<5>,3|C<4>,4|C<3>,9|H<1>}	C[6,6](B[6,6]C[6,6]N[5]2)(C[6]C[6]HH)2(H){1|H<2>,2|C<3>,2|C<4>,2|N<3>,4|H<1>}	N[5](B[6,6]C[6,6]2N[5])(N[5]C[5]Ni)(C[5]C[5]H){1|C<3>,1|H<2>,1|N<3>,2|H<1>,5|C<4>}	114.2750	0.000	1	112.5886	2.143	17	112.5774	2.249	22	112.3273	2.001	39	112.1972	1.954	44	112.1972	1.954	44
874	466	542	0:SP3_SP2_SP3	B[6,6]	C[6,6]	N[5]	4:4:3:3:	4:4:4:1:	4:3:3:	C[6,6]-4:C[6,6]-4:N[5]-3:O-3:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6]-4:N[5]-3:C[5]-3:	B[6,6](C[6,6]C[6]2H)2(N[5]C[5]N[5])(ONiH)	C[6,6](B[6,6]C[6,6]N[5]O)(C[6]C[6]HH)2(H)	N[5](B[6,6]C[6,6]2O)(N[5]C[5]Ni)(C[5]C[5]H)	B[6,6](C[6,6]C[6]2H)2(N[5]C[5]N[5])(ONiH){2|C<3>,2|C<4>,9|H<1>}	C[6,6](B[6,6]C[6,6]N[5]O)(C[6]C[6]HH)2(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	N[5](B[6,6]C[6,6]2O)(N[5]C[5]Ni)(C[5]C[5]H){3|H<1>,5|C<4>}	112.7310	0.190	2	112.7310	0.036	2	112.7310	0.036	2	112.3273	2.001	39	112.1972	1.954	44	112.1972	1.954	44
874	466	542	0:SP3_SP2_SP3	B[6,6]	C[6,6]	N[5]	4:4:3:3:	4:4:4:1:	4:4:3:	C[6,6]-4:C[6,6]-4:N[5]-3:N[5]-3:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6]-4:C[5]-4:C[5]-3:	B[6,6](C[6,6]C[6]2H)2(N[5]C[5]2)2	C[6,6](B[6,6]C[6,6]N[5]2)(C[6]C[6]HH)2(H)	N[5](B[6,6]C[6,6]2N[5])(C[5]C[5]HH)(C[5]N[5]H)	B[6,6](C[6,6]C[6]2H)2(N[5]C[5]2)2{12|H<1>,2|C<3>,2|C<4>,2|N<3>}	C[6,6](B[6,6]C[6,6]N[5]2)(C[6]C[6]HH)2(H){2|C<4>,4|C<3>,5|H<1>}	N[5](B[6,6]C[6,6]2N[5])(C[5]C[5]HH)(C[5]N[5]H){3|C<3>,3|H<1>,4|C<4>}	112.3500	0.000	1	112.3500	0.000	1	112.3500	0.000	1	112.3500	0.000	1	112.1972	1.954	44	112.1972	1.954	44
874	466	542	0:SP3_SP2_SP3	B[6,6]	C[6,6]	N[5]	4:4:3:3:	4:4:4:2:	4:3:3:	C[6,6]-4:C[6,6]-4:N[5]-3:N[5]-3:	B[6,6]-4:C[6]-4:C[6]-4:H-2:	B[6,6]-4:N[5]-3:C[5]-3:	B[6,6](C[6,6]C[6]2H)2(N[5]C[5]N[5])2	C[6,6](B[6,6]C[6,6]N[5]2)(C[6]C[6]HH)2(HNi)	N[5](B[6,6]C[6,6]2N[5])(N[5]C[5]Ni)(C[5]C[5]C)	B[6,6](C[6,6]C[6]2H)2(N[5]C[5]N[5])2{1|Ni<5>,3|C<4>,4|C<3>,9|H<1>}	C[6,6](B[6,6]C[6,6]N[5]2)(C[6]C[6]HH)2(HNi){2|C<3>,2|C<4>,2|N<3>,5|H<1>}	N[5](B[6,6]C[6,6]2N[5])(N[5]C[5]Ni)(C[5]C[5]C){1|C<3>,1|H<2>,1|N<3>,3|H<1>,4|C<4>}	110.4920	0.000	1	110.4920	0.000	1	110.5595	0.009	2	110.5595	0.009	2	112.1972	1.954	44	112.1972	1.954	44
874	466	542	0:SP3_SP2_SP3	B[6,6]	C[6,6]	N[5]	4:4:3:3:	4:4:4:2:	4:3:3:	C[6,6]-4:C[6,6]-4:N[5]-3:N[5]-3:	B[6,6]-4:C[6]-4:C[6]-4:H-2:	B[6,6]-4:N[5]-3:C[5]-3:	B[6,6](C[6,6]C[6]2H)2(N[5]C[5]N[5])2	C[6,6](B[6,6]C[6,6]N[5]2)(C[6]C[6]HH)2(HNi)	N[5](B[6,6]C[6,6]2N[5])(N[5]C[5]Ni)(C[5]C[5]H)	B[6,6](C[6,6]C[6]2H)2(N[5]C[5]N[5])2{1|Ni<5>,3|C<4>,4|C<3>,9|H<1>}	C[6,6](B[6,6]C[6,6]N[5]2)(C[6]C[6]HH)2(HNi){2|C<3>,2|C<4>,2|N<3>,5|H<1>}	N[5](B[6,6]C[6,6]2N[5])(N[5]C[5]Ni)(C[5]C[5]H){1|C<3>,1|H<2>,1|N<3>,2|H<1>,5|C<4>}	110.6270	0.000	1	110.6270	0.000	1	110.5595	0.009	2	110.5595	0.009	2	112.1972	1.954	44	112.1972	1.954	44
874	466	542	6:SP3_SP2_SP3	B[6]	C[6]	N[5,6]	3:4:3:3:	3:4:1:1:	3:3:4:	N[5,6]-3:C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:B[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-3:B[6]-4:	B[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6,6a]HH)(C[6a]C[6a]2)2	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]C[6a]2)(H)2	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]S[5])(B[6]C[6a]2C[6])	B[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6,6a]HH)(C[6a]C[6a]2)2{1|S<2>,4|C<4>,8|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]C[6a]2)(H)2{1|H<1>,8|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]S[5])(B[6]C[6a]2C[6]){3|H<1>,8|C<3>}	101.5210	0.000	1	101.5210	0.000	1	101.5210	0.000	1	101.5210	0.000	1	99.2816	10.030	2	99.2816	10.030	2
874	466	542	6:SP3_SP2_SP3	B[6]	C[6]	N[5,6]	3:4:3:3:	3:4:1:1:	3:4:2:	N[5,6]-3:C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:B[6]-4:H-1:H-1:	C[5,6]-3:B[6]-4:N[5]-2:	B[6](N[5,6]C[5,6]N[5])(C[6]C[6,6a]HH)(C[6a]C[6a]2)2	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]C[6a]2)(H)2	N[5,6](C[5,6]C[6,6a]N[5])(B[6]C[6a]2C[6])(N[5]C[5])	B[6](N[5,6]C[5,6]N[5])(C[6]C[6,6a]HH)(C[6a]C[6a]2)2{1|N<3>,4|C<4>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]C[6a]2)(H)2{1|H<1>,1|N<2>,7|C<3>}	N[5,6](C[5,6]C[6,6a]N[5])(B[6]C[6a]2C[6])(N[5]C[5]){1|C<4>,2|H<1>,7|C<3>}	97.0421	0.000	1	97.0421	0.000	1	97.0421	0.000	1	97.0421	0.000	1	99.2816	10.030	2	99.2816	10.030	2
874	466	618	6:SP3_SP2_SP3	B[6,6]	C[3x6]	B[6,6]	4:3:4:4:	3:3:4:1:	4:4:3:	C[3x6]-4:B[6,6]-3:N-4:N-4:	C[6,6,6a]-3:C[6,6,6a]-3:B[6,6]-4:H-1:	C[3x6]-4:B[6,6]-4:N-3:	B[6,6](C[3x6]C[6,6,6a]2H)(B[6,6]C[3x6]N)(NCCH)2	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(B[6,6]B[6,6]NN)(H)	B[6,6](C[3x6]C[6,6,6a]2H)(B[6,6]C[3x6]NN)(NCC)	B[6,6](C[3x6]C[6,6,6a]2H)(B[6,6]C[3x6]N)(NCCH)2{1|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(B[6,6]B[6,6]NN)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	B[6,6](C[3x6]C[6,6,6a]2H)(B[6,6]C[3x6]NN)(NCC){1|H<1>,4|C<3>}	104.6020	0.000	1	104.6020	0.000	1	104.6020	0.000	1	104.6020	0.000	1	104.6020	0.000	1	104.6020	0.000	1
874	466	622	0:SP3_SP2_SP3	B[3x6]	C[6,6]	O[6]	3:4:4:2:	4:4:4:1:	3:4:	N[6]-3:C[6,6]-4:C[6,6]-4:O[6]-2:	B[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:B[3x6]-4:	B[3x6](N[6]C[6a]C[6])(C[6,6]C[6]2H)2(O[6]C[6,6a])	C[6,6](B[3x6]C[6,6]N[6]O[6])(C[6]C[6]HH)2(H)	O[6](C[6,6a]C[6,6a]C[6a])(B[3x6]C[6,6]2N[6])	B[3x6](N[6]C[6a]C[6])(C[6,6]C[6]2H)2(O[6]C[6,6a]){2|C<4>,4|C<3>,9|H<1>}	C[6,6](B[3x6]C[6,6]N[6]O[6])(C[6]C[6]HH)2(H){2|C<4>,3|C<3>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(B[3x6]C[6,6]2N[6]){3|H<1>,4|C<3>,4|C<4>}	109.7655	0.429	2	109.7655	0.184	2	109.7655	0.184	2	109.7655	0.184	2	109.4442	2.945	8	109.6545	1.810	18
874	466	622	0:SP3_SP2_SP3	B[3x6]	C[6,6]	O[6]	3:4:4:2:	4:4:4:1:	4:3:	N[6,6]-3:C[6,6]-4:C[6,6]-4:O[6]-2:	B[3x6]-4:C[6]-4:C[6]-4:H-1:	B[3x6]-4:C[6]-3:	B[3x6](N[6,6]C[6,6]C[6])(C[6,6]C[6]2H)2(O[6]C[6])	C[6,6](B[3x6]C[6,6]N[6,6]O[6])(C[6]C[6]HH)2(H)	O[6](B[3x6]C[6,6]2N[6,6])(C[6]C[6]C)	B[3x6](N[6,6]C[6,6]C[6])(C[6,6]C[6]2H)2(O[6]C[6]){3|C<3>,3|C<4>,9|H<1>}	C[6,6](B[3x6]C[6,6]N[6,6]O[6])(C[6]C[6]HH)2(H){2|C<4>,3|C<3>,5|H<1>}	O[6](B[3x6]C[6,6]2N[6,6])(C[6]C[6]C){2|C<3>,3|H<1>,4|C<4>}	110.0955	2.931	2	110.0955	8.591	2	110.0955	8.591	2	110.0955	8.591	2	109.4442	2.945	8	109.6545	1.810	18
874	466	622	0:SP3_SP2_SP3	B[3x6]	C[6,6]	O[6]	4:4:3:2:	4:4:4:1:	4:3:	C[6,6]-4:C[6,6]-4:N[6]-3:O[6]-2:	B[3x6]-4:C[6]-4:C[6]-4:H-1:	B[3x6]-4:C[6]-3:	B[3x6](C[6,6]C[6]2H)2(N[6]C[6]C)(O[6]C[6])	C[6,6](B[3x6]C[6,6]N[6]O[6])(C[6]C[6]HH)2(H)	O[6](B[3x6]C[6,6]2N[6])(C[6]N[6]O)	B[3x6](C[6,6]C[6]2H)2(N[6]C[6]C)(O[6]C[6]){1|N<3>,1|O<1>,2|C<4>,9|H<1>}	C[6,6](B[3x6]C[6,6]N[6]O[6])(C[6]C[6]HH)2(H){2|C<3>,3|C<4>,5|H<1>}	O[6](B[3x6]C[6,6]2N[6])(C[6]N[6]O){1|C<3>,2|H<1>,6|C<4>}	108.9580	1.811	4	108.9580	3.281	4	108.9580	3.281	4	108.9580	3.281	4	109.4442	2.945	8	109.6545	1.810	18
874	466	622	0:SP3_SP2_SP3	B[6,6]	C[6]	O[6]	4:4:2:2:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O[6]-2:O[6]-2:	C[6,6]-4:B[6,6]-4:H-1:H-1:	B[6,6]-4:C[6]-3:	B[6,6](C[6]C[6,6]HH)2(O[6]C[6])2	C[6](C[6,6]C[6,6]C[6]C)(B[6,6]C[6]O[6]2)(H)2	O[6](B[6,6]C[6]2O[6])(C[6]C[6]C)	B[6,6](C[6]C[6,6]HH)2(O[6]C[6])2{1|H<1>,2|C<3>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(B[6,6]C[6]O[6]2)(H)2{1|C<4>,3|C<3>,5|H<1>}	O[6](B[6,6]C[6]2O[6])(C[6]C[6]C){1|C<3>,2|C<4>,5|H<1>}	109.4690	0.269	4	109.4690	0.072	4	109.6024	1.068	8	109.6024	1.068	8	109.6024	1.068	8	109.6545	1.810	18
874	466	622	0:SP3_SP2_SP3	B[6,6]	C[6]	O[6]	4:4:2:2:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O[6]-2:O[6]-2:	C[6,6]-4:B[6,6]-4:H-1:H-1:	B[6,6]-4:C[6]-3:	B[6,6](C[6]C[6,6]HH)2(O[6]C[6])2	C[6](C[6,6]C[6,6]C[6]H)(B[6,6]C[6]O[6]2)(H)2	O[6](B[6,6]C[6]2O[6])(C[6]C[6]C)	B[6,6](C[6]C[6,6]HH)2(O[6]C[6])2{1|H<1>,2|C<3>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(B[6,6]C[6]O[6]2)(H)2{1|C<4>,3|C<3>,6|H<1>}	O[6](B[6,6]C[6]2O[6])(C[6]C[6]C){1|C<3>,2|C<4>,5|H<1>}	109.7357	1.540	4	109.7357	2.372	4	109.6024	1.068	8	109.6024	1.068	8	109.6024	1.068	8	109.6545	1.810	18
874	466	622	0:SP3_SP2_SP3	B[6]	C[6,6]	O[6]	4:2:3:1:	4:4:4:1:	3:4:	C[6,6]-4:O[6]-2:N[6]-3:F-1:	C[6,6]-4:C[6,6]-4:B[6]-4:H-1:	C[6,6]-3:B[6]-4:	B[6](C[6,6]C[6,6]2H)(O[6]C[6,6])(N[6]C[6]C)(F)	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(B[6]N[6]O[6]F)(H)	O[6](C[6,6]C[6,6]C[6])(B[6]C[6,6]N[6]F)	B[6](C[6,6]C[6,6]2H)(O[6]C[6,6])(N[6]C[6]C)(F){1|C<2>,1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(B[6]N[6]O[6]F)(H){2|C<3>,2|H<1>,3|C<4>}	O[6](C[6,6]C[6,6]C[6])(B[6]C[6,6]N[6]F){1|H<1>,3|C<3>,3|C<4>}	110.4840	0.000	1	110.4840	0.000	1	110.4840	0.000	1	110.7040	0.097	2	110.7040	0.097	2	109.6545	1.810	18
874	466	622	0:SP3_SP2_SP3	B[6]	C[6,6]	O[6]	4:2:3:1:	4:4:4:1:	3:4:	C[6,6]-4:O[6]-2:N[6]-3:F-1:	C[6,6]-4:C[6,6]-4:B[6]-4:H-1:	C[6,6a]-3:B[6]-4:	B[6](C[6,6]C[6,6]2H)(O[6]C[6,6a])(N[6]C[6]C)(F)	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(B[6]N[6]O[6]F)(H)	O[6](C[6,6a]C[6,6a]C[6a])(B[6]C[6,6]N[6]F)	B[6](C[6,6]C[6,6]2H)(O[6]C[6,6a])(N[6]C[6]C)(F){2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(B[6]N[6]O[6]F)(H){2|C<3>,2|H<1>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]C[6,6]N[6]F){2|H<1>,3|C<3>,3|C<4>}	110.9240	0.000	1	110.9240	0.000	1	110.9240	0.000	1	110.7040	0.097	2	110.7040	0.097	2	109.6545	1.810	18
874	466	622	0:SP3_SP3_SP3	B[3x6]	C[6,6]	O[6]	4:4:3:2:	4:4:4:1:	4:4:	C[6,6]-4:C[6,6]-4:N[6]-3:O[6]-2:	B[3x6]-4:C[6]-4:C[6]-4:H-1:	B[3x6]-4:C[6]-4:	B[3x6](C[6,6]C[6]2H)2(N[6]C[6]C)(O[6]C[6])	C[6,6](B[3x6]C[6,6]N[6]O[6])(C[6]C[6]HH)2(H)	O[6](B[3x6]C[6,6]2N[6])(C[6]N[6]HH)	B[3x6](C[6,6]C[6]2H)2(N[6]C[6]C)(O[6]C[6]){11|H<1>,1|N<3>,2|C<4>}	C[6,6](B[3x6]C[6,6]N[6]O[6])(C[6]C[6]HH)2(H){1|C<3>,4|C<4>,5|H<1>}	O[6](B[3x6]C[6,6]2N[6])(C[6]N[6]HH){1|C<3>,2|H<1>,6|C<4>}	110.4550	2.458	4	110.4550	6.041	4	110.4550	6.041	4	110.4550	6.041	4	110.4550	6.041	4	111.4455	5.991	6
874	466	622	0:SP3_SP3_SP3	B[6,6]	C[6]	O[6]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:N[6]-4:O[6]-2:O[6]-2:	B[6,6]-4:C[6]-4:H-1:H-1:	B[6,6]-4:C[6]-4:	B[6,6](C[6]C[6]HH)(N[6]C[6]CH)(O[6]C[6])2	C[6](B[6,6]N[6]O[6]2)(C[6]C[6]HH)(H)2	O[6](B[6,6]C[6]N[6]O[6])(C[6]C[6]HH)	B[6,6](C[6]C[6]HH)(N[6]C[6]CH)(O[6]C[6])2{2|C<4>,8|H<1>}	C[6](B[6,6]N[6]O[6]2)(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	O[6](B[6,6]C[6]N[6]O[6])(C[6]C[6]HH){4|C<4>,5|H<1>}	113.4265	0.245	2	113.4265	0.060	2	113.4265	0.060	2	113.4265	0.060	2	113.4265	0.060	2	111.4455	5.991	6
874	466	622	6:SP3_SP2_SP3	B[6]	C[6]	O[6]	3:3:4:2:	4:3:1:1:	4:3:	C[6a]-3:C[6a]-3:C[6]-4:O[6]-2:	B[6]-4:C[6]-3:H-1:H-1:	B[6]-4:C[6]-3:	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6])	C[6](B[6]C[6a]2O[6])(C[6]C[6a]C[6])(H)2	O[6](B[6]C[6a]2C[6])(C[6]C[6a]C[6])	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6]){4|F<1>,7|C<3>}	C[6](B[6]C[6a]2O[6])(C[6]C[6a]C[6])(H)2{1|H<1>,7|C<3>}	O[6](B[6]C[6a]2C[6])(C[6]C[6a]C[6]){3|H<1>,7|C<3>}	105.1720	0.557	2	105.1720	0.310	2	105.1720	0.310	2	105.1720	0.310	2	106.7617	4.594	11	106.7617	4.594	11
874	466	622	6:SP3_SP2_SP3	B[6]	C[6]	O[6]	3:3:4:2:	4:4:1:1:	3:4:	C[6a]-3:C[6a]-3:C[6]-4:O[6]-2:	B[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:B[6]-4:	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6,6])	C[6](B[6]C[6a]2O[6])(C[6]P[6,6]HH)(H)2	O[6](C[6,6]P[6,6]O[6])(B[6]C[6a]2C[6])	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6,6]){1|O<2>,1|P<4>,2|H<1>,4|C<3>,4|F<1>}	C[6](B[6]C[6a]2O[6])(C[6]P[6,6]HH)(H)2{1|C<4>,6|C<3>}	O[6](C[6,6]P[6,6]O[6])(B[6]C[6a]2C[6]){1|B<4>,2|C<4>,2|H<1>,5|C<3>}	106.0390	2.503	2	106.0390	6.266	2	106.0390	6.266	2	106.0390	6.266	2	106.7617	4.594	11	106.7617	4.594	11
874	466	622	6:SP3_SP2_SP3	B[6]	C[6]	O[6]	3:3:4:2:	4:4:1:1:	4:3:	C[6a]-3:C[6a]-3:C[6]-4:O[6]-2:	B[6]-4:C[6]-4:H-1:H-1:	B[6]-4:C[6]-3:	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6])	C[6](B[6]C[6a]2O[6])(C[6]C[6]CH)(H)2	O[6](B[6]C[6a]2C[6])(C[6]C[6]O)	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6]){1|H<1>,1|O<2>,4|F<1>,6|C<3>}	C[6](B[6]C[6a]2O[6])(C[6]C[6]CH)(H)2{6|C<3>}	O[6](B[6]C[6a]2C[6])(C[6]C[6]O){1|C<4>,2|H<1>,5|C<3>}	104.6450	0.000	1	104.6450	0.000	1	107.7065	18.746	2	107.7065	18.746	2	106.7617	4.594	11	106.7617	4.594	11
874	466	622	6:SP3_SP2_SP3	B[6]	C[6]	O[6]	3:3:4:2:	4:4:1:1:	4:3:	C[6a]-3:C[6a]-3:C[6]-4:O[6]-2:	B[6]-4:C[6]-4:H-1:H-1:	B[6]-4:C[6]-3:	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6])	C[6](B[6]C[6a]2O[6])(C[6]P[6]HH)(H)2	O[6](B[6]C[6a]2C[6])(C[6]P[6]O)	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6]){1|O<2>,1|P<3>,2|H<1>,4|C<3>,4|F<1>}	C[6](B[6]C[6a]2O[6])(C[6]P[6]HH)(H)2{6|C<3>}	O[6](B[6]C[6a]2C[6])(C[6]P[6]O){1|C<4>,2|H<1>,5|C<3>}	110.7680	0.000	1	110.7680	0.000	1	107.7065	18.746	2	107.7065	18.746	2	106.7617	4.594	11	106.7617	4.594	11
874	466	622	6:SP3_SP2_SP3	B[6]	C[6]	O[6]	4:3:3:2:	4:3:3:1:	4:3:	C[6]-4:C[6a]-3:C[6a]-3:O[6]-2:	B[6]-4:C[6a]-3:C[6]-3:H-1:	B[6]-4:C[6]-3:	B[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)2(O[6]C[6])	C[6](B[6]C[6a]2O[6])(C[6a]C[6a]2)(C[6]O[6]C)(H)	O[6](B[6]C[6a]2C[6])(C[6]O[6]N)	B[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)2(O[6]C[6]){1|N<3>,1|O<2>,4|F<1>,7|C<3>}	C[6](B[6]C[6a]2O[6])(C[6a]C[6a]2)(C[6]O[6]C)(H){2|F<1>,7|C<3>}	O[6](B[6]C[6a]2C[6])(C[6]O[6]N){1|H<1>,6|C<3>}	106.4030	0.000	1	106.4030	0.000	1	106.5075	0.022	2	106.5075	0.022	2	106.7617	4.594	11	106.7617	4.594	11
874	466	622	6:SP3_SP2_SP3	B[6]	C[6]	O[6]	4:3:3:2:	4:3:3:1:	4:3:	C[6]-4:C[6a]-3:C[6a]-3:O[6]-2:	B[6]-4:C[6a]-3:C[6]-3:H-1:	B[6]-4:C[6]-3:	B[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)2(O[6]C[6])	C[6](B[6]C[6a]2O[6])(C[6a]C[6a]2)(C[6]O[6]C)(H)	O[6](B[6]C[6a]2C[6])(C[6]O[6]O)	B[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)2(O[6]C[6]){2|O<2>,4|F<1>,7|C<3>}	C[6](B[6]C[6a]2O[6])(C[6a]C[6a]2)(C[6]O[6]C)(H){2|F<1>,7|C<3>}	O[6](B[6]C[6a]2C[6])(C[6]O[6]O){1|H<1>,6|C<3>}	106.6120	0.000	1	106.6120	0.000	1	106.5075	0.022	2	106.5075	0.022	2	106.7617	4.594	11	106.7617	4.594	11
874	466	622	6:SP3_SP2_SP3	B[6]	C[6]	O[6]	4:3:3:2:	4:4:1:1:	4:3:	C[6]-4:C[6a]-3:C[6a]-3:O[6]-2:	C[3,6]-4:B[6]-4:H-1:H-1:	B[6]-4:C[6]-3:	B[6](C[6]C[3,6]HH)(C[6a]C[6a]2)2(O[6]C[6])	C[6](C[3,6]C[3,5,6]C[3,5]H)(B[6]C[6a]2O[6])(H)2	O[6](B[6]C[6a]2C[6])(C[6]C[3,5,6]O)	B[6](C[6]C[3,6]HH)(C[6a]C[6a]2)2(O[6]C[6]){1|H<1>,1|O<2>,2|C<4>,4|C<3>,4|F<1>}	C[6](C[3,6]C[3,5,6]C[3,5]H)(B[6]C[6a]2O[6])(H)2{2|C<4>,6|C<3>}	O[6](B[6]C[6a]2C[6])(C[6]C[3,5,6]O){2|C<4>,2|H<1>,5|C<3>}	105.6250	0.000	1	105.6250	0.000	1	105.6250	0.000	1	107.8430	4.538	3	106.7617	4.594	11	106.7617	4.594	11
874	466	622	6:SP3_SP2_SP3	B[6]	C[6]	O[6]	4:3:3:2:	4:4:1:1:	4:3:	C[6]-4:C[6a]-3:C[6a]-3:O[6]-2:	C[5,6]-4:B[6]-4:H-1:H-1:	B[6]-4:C[6]-3:	B[6](C[6]C[5,6]HH)(C[6a]C[6a]2)2(O[6]C[6])	C[6](C[5,6]C[5,6]C[5]H)(B[6]C[6a]2O[6])(H)2	O[6](B[6]C[6a]2C[6])(C[6]C[5,6]O)	B[6](C[6]C[5,6]HH)(C[6a]C[6a]2)2(O[6]C[6]){1|C<4>,1|H<1>,1|O<2>,4|F<1>,5|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(B[6]C[6a]2O[6])(H)2{1|C<4>,1|P<4>,2|H<1>,5|C<3>}	O[6](B[6]C[6a]2C[6])(C[6]C[5,6]O){2|C<4>,2|H<1>,4|C<3>}	109.8730	0.000	1	109.8730	0.000	1	109.8730	0.000	1	107.8430	4.538	3	106.7617	4.594	11	106.7617	4.594	11
874	466	622	6:SP3_SP2_SP3	B[6]	C[6]	O[6]	4:3:3:2:	4:4:1:1:	4:3:	C[6]-4:C[6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:B[6]-4:H-1:H-1:	B[6]-4:C[6]-3:	B[6](C[6]C[6,6]HH)(C[6a]C[6a]2)2(O[6]C[6])	C[6](C[6,6]C[6,6]P[6]H)(B[6]C[6a]2O[6])(H)2	O[6](B[6]C[6a]2C[6])(C[6]C[6,6]C)	B[6](C[6]C[6,6]HH)(C[6a]C[6a]2)2(O[6]C[6]){1|C<4>,1|H<1>,1|P<4>,4|F<1>,5|C<3>}	C[6](C[6,6]C[6,6]P[6]H)(B[6]C[6a]2O[6])(H)2{1|C<4>,8|C<3>}	O[6](B[6]C[6a]2C[6])(C[6]C[6,6]C){1|C<4>,2|H<1>,5|C<3>}	108.0310	0.000	1	108.0310	0.000	1	108.0310	0.000	1	107.8430	4.538	3	106.7617	4.594	11	106.7617	4.594	11
874	466	622	6:SP3_SP3_SP3	B[6]	C[6]	O[6]	3:3:4:2:	4:4:1:1:	3:4:	C[6a]-3:C[6a]-3:C[6]-4:O[6]-2:	B[6]-4:C[6]-4:H-1:H-1:	S[6,6]-3:B[6]-4:	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]S[6,6])	C[6](B[6]C[6a]2O[6])(C[6]P[6,6]HH)(H)2	O[6](S[6,6]P[6,6]O[6])(B[6]C[6a]2C[6])	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]S[6,6]){1|O<2>,1|P<4>,2|H<1>,4|C<3>,4|F<1>}	C[6](B[6]C[6a]2O[6])(C[6]P[6,6]HH)(H)2{1|C<4>,1|S<3>,5|C<3>}	O[6](S[6,6]P[6,6]O[6])(B[6]C[6a]2C[6]){1|B<4>,2|C<4>,2|H<1>,5|C<3>}	107.2705	1.783	2	107.2705	3.178	2	107.2705	3.178	2	107.2705	3.178	2	108.9915	1.621	11	108.9915	1.621	11
874	466	622	6:SP3_SP3_SP3	B[6]	C[6]	O[6]	3:3:4:2:	4:4:1:1:	4:3:	C[6a]-3:C[6a]-3:C[6]-4:O[6]-2:	B[6]-4:C[6]-4:H-1:H-1:	B[6]-4:N[6]-3:	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]N[6])	C[6](B[6]C[6a]2O[6])(C[6]P[6]HH)(H)2	O[6](B[6]C[6a]2C[6])(N[6]C[6a]P[6])	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]N[6]){1|P<4>,2|H<1>,4|F<1>,5|C<3>}	C[6](B[6]C[6a]2O[6])(C[6]P[6]HH)(H)2{1|N<3>,6|C<3>}	O[6](B[6]C[6a]2C[6])(N[6]C[6a]P[6]){1|C<4>,2|H<1>,8|C<3>}	108.9800	0.000	1	108.9800	0.000	1	108.9800	0.000	1	108.9800	0.000	1	108.9915	1.621	11	108.9915	1.621	11
874	466	622	6:SP3_SP3_SP3	B[6]	C[6]	O[6]	3:3:4:2:	4:4:1:1:	4:4:	C[6a]-3:C[6a]-3:C[6]-4:O[6]-2:	B[6]-4:C[6]-4:H-1:H-1:	B[6]-4:C[6]-4:	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6])	C[6](B[6]C[6a]2O[6])(C[6]C[5]C[6]H)(H)2	O[6](B[6]C[6a]2C[6])(C[6]C[6]CC)	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6]){1|H<1>,3|C<4>,4|F<1>,5|C<3>}	C[6](B[6]C[6a]2O[6])(C[6]C[5]C[6]H)(H)2{2|C<4>,2|H<1>,5|C<3>}	O[6](B[6]C[6a]2C[6])(C[6]C[6]CC){1|C<4>,4|C<3>,4|H<1>}	110.2220	0.000	1	110.2220	0.000	1	109.4406	0.933	7	109.4406	0.933	7	108.9915	1.621	11	108.9915	1.621	11
874	466	622	6:SP3_SP3_SP3	B[6]	C[6]	O[6]	3:3:4:2:	4:4:1:1:	4:4:	C[6a]-3:C[6a]-3:C[6]-4:O[6]-2:	B[6]-4:C[6]-4:H-1:H-1:	B[6]-4:C[6]-4:	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6])	C[6](B[6]C[6a]2O[6])(C[6]C[6]HH)(H)2	O[6](B[6]C[6a]2C[6])(C[6]C[6]CC)	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6]){2|H<1>,3|C<4>,4|C<3>,4|F<1>}	C[6](B[6]C[6a]2O[6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,4|C<3>}	O[6](B[6]C[6a]2C[6])(C[6]C[6]CC){1|C<4>,4|C<3>,4|H<1>}	110.0510	0.000	1	110.0510	0.000	1	109.4406	0.933	7	109.4406	0.933	7	108.9915	1.621	11	108.9915	1.621	11
874	466	622	6:SP3_SP3_SP3	B[6]	C[6]	O[6]	3:3:4:2:	4:4:1:1:	4:4:	C[6a]-3:C[6a]-3:C[6]-4:O[6]-2:	B[6]-4:C[6]-4:H-1:H-1:	B[6]-4:C[6]-4:	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6])	C[6](B[6]C[6a]2O[6])(C[6]C[6]HP)(H)2	O[6](B[6]C[6a]2C[6])(C[6]C[6]CC)	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6]){1|H<1>,1|P<4>,3|C<4>,4|C<3>,4|F<1>}	C[6](B[6]C[6a]2O[6])(C[6]C[6]HP)(H)2{1|C<4>,2|H<1>,4|C<3>}	O[6](B[6]C[6a]2C[6])(C[6]C[6]CC){1|C<4>,4|C<3>,4|H<1>}	110.2160	0.438	2	110.2160	0.192	2	109.4406	0.933	7	109.4406	0.933	7	108.9915	1.621	11	108.9915	1.621	11
874	466	622	6:SP3_SP3_SP3	B[6]	C[6]	O[6]	3:3:4:2:	4:4:1:1:	4:4:	C[6a]-3:C[6a]-3:C[6]-4:O[6]-2:	B[6]-4:C[6]-4:H-1:H-1:	B[6]-4:C[6]-4:	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6])	C[6](B[6]C[6a]2O[6])(C[6]P[6]CH)(H)2	O[6](B[6]C[6a]2C[6])(C[6]C[6a]P[6]H)	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6]){1|C<4>,1|P<4>,2|H<1>,4|F<1>,5|C<3>}	C[6](B[6]C[6a]2O[6])(C[6]P[6]CH)(H)2{1|C<4>,6|C<3>}	O[6](B[6]C[6a]2C[6])(C[6]C[6a]P[6]H){1|C<4>,2|H<1>,8|C<3>}	108.1450	0.000	1	108.1450	0.000	1	109.4406	0.933	7	109.4406	0.933	7	108.9915	1.621	11	108.9915	1.621	11
874	466	622	6:SP3_SP3_SP3	B[6]	C[6]	O[6]	3:3:4:2:	4:4:1:1:	4:4:	C[6a]-3:C[6a]-3:C[6]-4:O[6]-2:	B[6]-4:C[6]-4:H-1:H-1:	B[6]-4:C[6]-4:	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6])	C[6](B[6]C[6a]2O[6])(C[6]P[6]HH)(H)2	O[6](B[6]C[6a]2C[6])(C[6]C[6a]P[6]H)	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6]){1|P<4>,3|H<1>,4|F<1>,5|C<3>}	C[6](B[6]C[6a]2O[6])(C[6]P[6]HH)(H)2{1|C<4>,6|C<3>}	O[6](B[6]C[6a]2C[6])(C[6]C[6a]P[6]H){1|C<4>,2|H<1>,8|C<3>}	108.3140	0.000	1	108.3140	0.000	1	109.4406	0.933	7	109.4406	0.933	7	108.9915	1.621	11	108.9915	1.621	11
874	466	622	6:SP3_SP3_SP3	B[6]	C[6]	O[6]	3:3:4:2:	4:4:1:1:	4:4:	C[6a]-3:C[6a]-3:C[6]-4:O[6]-2:	B[6]-4:C[6]-4:H-1:H-1:	B[6]-4:C[6]-4:	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6])	C[6](B[6]C[6a]2O[6])(C[6]P[6]HH)(H)2	O[6](B[6]C[6a]2C[6])(C[6]P[6]CH)	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6]){1|P<4>,3|H<1>,4|F<1>,5|C<3>}	C[6](B[6]C[6a]2O[6])(C[6]P[6]HH)(H)2{1|C<4>,6|C<3>}	O[6](B[6]C[6a]2C[6])(C[6]P[6]CH){1|C<4>,2|H<1>,6|C<3>}	108.9200	0.000	1	108.9200	0.000	1	109.4406	0.933	7	109.4406	0.933	7	108.9915	1.621	11	108.9915	1.621	11
874	466	622	6:SP3_SP3_SP3	B[6]	C[6]	O[6]	4:3:3:2:	4:4:1:1:	4:4:	C[6]-4:C[6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:B[6]-4:H-1:H-1:	C[5,6]-4:B[6]-4:	B[6](C[6]C[6,6]HH)(C[6a]C[6a]2)2(O[6]C[5,6])	C[6](C[6,6]C[5,6,6]C[6]H)(B[6]C[6a]2O[6])(H)2	O[6](C[5,6]C[5,6,6]C[6a]O[5])(B[6]C[6a]2C[6])	B[6](C[6]C[6,6]HH)(C[6a]C[6a]2)2(O[6]C[5,6]){1|H<1>,1|O<2>,2|C<4>,4|F<1>,5|C<3>}	C[6](C[6,6]C[5,6,6]C[6]H)(B[6]C[6a]2O[6])(H)2{2|C<4>,3|H<1>,5|C<3>}	O[6](C[5,6]C[5,6,6]C[6a]O[5])(B[6]C[6a]2C[6]){1|C<4>,3|H<1>,8|C<3>}	109.3010	0.000	1	109.3010	0.000	1	109.3010	0.000	1	109.3010	0.000	1	108.9915	1.621	11	108.9915	1.621	11
874	466	643	0:SP3_SP2_SP3	B[6,6]	C[6,6]	C[6a]	4:4:3:2:	4:4:4:1:	4:3:3:	C[6,6]-4:C[6,6]-4:C[6a]-3:C-2:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6]-4:C[6a]-3:C[6a]-3:	B[6,6](C[6,6]C[6]2H)2(C[6a]C[6a]2)(CN)	C[6,6](B[6,6]C[6,6]C[6a]C)(C[6]C[6]HH)2(H)	C[6a](B[6,6]C[6,6]2C)(C[6a]C[6a]F)2	B[6,6](C[6,6]C[6]2H)2(C[6a]C[6a]2)(CN){2|C<3>,2|C<4>,2|F<1>,8|H<1>}	C[6,6](B[6,6]C[6,6]C[6a]C)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,5|H<1>}	C[6a](B[6,6]C[6,6]2C)(C[6a]C[6a]F)2{1|C<3>,2|F<1>,2|H<1>,4|C<4>}	116.1530	4.733	2	116.1530	22.405	2	116.1530	22.405	2	116.1530	22.405	2	116.1530	22.405	2	111.4561	13.970	176
874	466	643	0:SP3_SP2_SP3	B[6]	C[6]	C[6a]	3:3:3:4:	4:3:1:1:	4:3:3:	S[6]-3:C[6a]-3:C[6a]-3:C[6]-4:	B[6]-4:S[6]-3:H-1:H-1:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](S[6]C[6a]C[6])(C[6a]C[6a]2)2(C[6]S[6]HH)	C[6](B[6]C[6a]2S[6])(S[6]C[6a]B[6])(H)2	C[6a](B[6]C[6a]C[6]S[6])(C[6a]C[6a]F)2	B[6](S[6]C[6a]C[6])(C[6a]C[6a]2)2(C[6]S[6]HH){1|B<4>,2|H<1>,4|F<1>,7|C<3>}	C[6](B[6]C[6a]2S[6])(S[6]C[6a]B[6])(H)2{1|C<4>,9|C<3>}	C[6a](B[6]C[6a]C[6]S[6])(C[6a]C[6a]F)2{1|C<4>,1|S<3>,2|F<1>,2|H<1>,4|C<3>}	113.0533	1.496	3	113.0533	2.238	3	113.0533	2.238	3	113.0533	2.238	3	111.4021	13.744	174	111.4561	13.970	176
874	466	643	0:SP3_SP2_SP3	B[6]	C[6]	C[6a]	3:3:3:4:	4:4:1:1:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:C[6]-4:	B[6]-4:C[6]-4:H-1:H-1:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](N[6]C[6,6]C[6a])(C[6a]C[6a]2)2(C[6]C[6]HH)	C[6](B[6]C[6a]2N[6])(C[6]P[6,6]HH)(H)2	C[6a](B[6]C[6a]C[6]N[6])(C[6a]C[6a]F)2	B[6](N[6]C[6,6]C[6a])(C[6a]C[6a]2)2(C[6]C[6]HH){1|P<4>,1|S<2>,2|H<1>,4|F<1>,6|C<3>}	C[6](B[6]C[6a]2N[6])(C[6]P[6,6]HH)(H)2{1|C<4>,7|C<3>}	C[6a](B[6]C[6a]C[6]N[6])(C[6a]C[6a]F)2{1|C<4>,2|F<1>,2|H<1>,5|C<3>}	109.9365	5.458	2	109.9365	29.791	2	109.9365	29.791	2	109.9365	29.791	2	111.4021	13.744	174	111.4561	13.970	176
874	466	643	0:SP3_SP2_SP3	B[6]	C[6]	C[6a]	3:3:3:4:	4:4:4:1:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:C[6]-4:	B[6]-4:P[6]-4:C-4:H-1:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](N[6]C[6a]N[6])(C[6a]C[6a]2)2(C[6]P[6]CH)	C[6](B[6]C[6a]2N[6])(P[6]C[6a]2N[6])(CCHH)(H)	C[6a](B[6]C[6a]C[6]N[6])(C[6a]C[6a]F)2	B[6](N[6]C[6a]N[6])(C[6a]C[6a]2)2(C[6]P[6]CH){1|N<2>,4|F<1>,8|C<3>}	C[6](B[6]C[6a]2N[6])(P[6]C[6a]2N[6])(CCHH)(H){1|N<2>,9|C<3>}	C[6a](B[6]C[6a]C[6]N[6])(C[6a]C[6a]F)2{1|C<4>,1|H<1>,1|N<2>,1|P<4>,2|F<1>,4|C<3>}	110.1755	2.478	2	110.1755	6.143	2	110.1755	6.143	2	110.1755	6.143	2	111.4021	13.744	174	111.4561	13.970	176
874	466	643	0:SP3_SP2_SP3	B[6]	C[6]	C[6a]	3:3:4:2:	4:3:1:1:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-4:O[6]-2:	B[6]-4:C[6]-3:H-1:H-1:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6])	C[6](B[6]C[6a]2O[6])(C[6]C[6a]C[6])(H)2	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6]){4|F<1>,7|C<3>}	C[6](B[6]C[6a]2O[6])(C[6]C[6a]C[6])(H)2{1|H<1>,7|C<3>}	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2{2|F<1>,2|H<1>,5|C<3>}	114.8400	3.948	4	114.8400	15.588	4	114.8400	15.588	4	114.8400	15.588	4	111.4021	13.744	174	111.4561	13.970	176
874	466	643	0:SP3_SP2_SP3	B[6]	C[6]	C[6a]	3:3:4:2:	4:4:1:1:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-4:O[6]-2:	B[6]-4:C[6]-4:H-1:H-1:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6,6])	C[6](B[6]C[6a]2O[6])(C[6]P[6,6]HH)(H)2	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6,6]){1|O<2>,1|P<4>,2|H<1>,4|C<3>,4|F<1>}	C[6](B[6]C[6a]2O[6])(C[6]P[6,6]HH)(H)2{1|C<4>,6|C<3>}	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2{1|C<4>,2|F<1>,2|H<1>,4|C<3>}	114.8245	3.290	4	114.8245	10.822	4	113.4584	7.711	28	113.4960	9.306	30	111.4021	13.744	174	111.4561	13.970	176
874	466	643	0:SP3_SP2_SP3	B[6]	C[6]	C[6a]	3:3:4:2:	4:4:1:1:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-4:O[6]-2:	B[6]-4:C[6]-4:H-1:H-1:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6])	C[6](B[6]C[6a]2O[6])(C[6]C[5]C[6]H)(H)2	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6]){1|H<1>,3|C<4>,4|F<1>,5|C<3>}	C[6](B[6]C[6a]2O[6])(C[6]C[5]C[6]H)(H)2{2|C<4>,2|H<1>,5|C<3>}	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2{2|C<4>,2|F<1>,2|H<1>,3|C<3>}	113.1965	3.466	2	113.1965	12.010	2	113.4584	7.711	28	113.4960	9.306	30	111.4021	13.744	174	111.4561	13.970	176
874	466	643	0:SP3_SP2_SP3	B[6]	C[6]	C[6a]	3:3:4:2:	4:4:1:1:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-4:O[6]-2:	B[6]-4:C[6]-4:H-1:H-1:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6])	C[6](B[6]C[6a]2O[6])(C[6]C[6]CH)(H)2	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6]){1|H<1>,1|O<2>,4|F<1>,6|C<3>}	C[6](B[6]C[6a]2O[6])(C[6]C[6]CH)(H)2{6|C<3>}	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2{1|C<4>,2|F<1>,2|H<1>,4|C<3>}	115.3355	0.395	2	115.3355	0.156	2	113.4584	7.711	28	113.4960	9.306	30	111.4021	13.744	174	111.4561	13.970	176
874	466	643	0:SP3_SP2_SP3	B[6]	C[6]	C[6a]	3:3:4:2:	4:4:1:1:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-4:O[6]-2:	B[6]-4:C[6]-4:H-1:H-1:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6])	C[6](B[6]C[6a]2O[6])(C[6]C[6]HH)(H)2	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6]){2|H<1>,3|C<4>,4|C<3>,4|F<1>}	C[6](B[6]C[6a]2O[6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2{2|C<4>,2|F<1>,2|H<1>,3|C<3>}	113.1580	2.601	2	113.1580	6.764	2	113.4584	7.711	28	113.4960	9.306	30	111.4021	13.744	174	111.4561	13.970	176
874	466	643	0:SP3_SP2_SP3	B[6]	C[6]	C[6a]	3:3:4:2:	4:4:1:1:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-4:O[6]-2:	B[6]-4:C[6]-4:H-1:H-1:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6])	C[6](B[6]C[6a]2O[6])(C[6]C[6]HP)(H)2	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6]){1|H<1>,1|P<4>,3|C<4>,4|C<3>,4|F<1>}	C[6](B[6]C[6a]2O[6])(C[6]C[6]HP)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2{2|C<4>,2|F<1>,2|H<1>,3|C<3>}	111.9753	3.801	4	111.9753	14.445	4	113.4584	7.711	28	113.4960	9.306	30	111.4021	13.744	174	111.4561	13.970	176
874	466	643	0:SP3_SP2_SP3	B[6]	C[6]	C[6a]	3:3:4:2:	4:4:1:1:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-4:O[6]-2:	B[6]-4:C[6]-4:H-1:H-1:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6])	C[6](B[6]C[6a]2O[6])(C[6]P[6]CH)(H)2	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6]){1|C<4>,1|P<4>,2|H<1>,4|F<1>,5|C<3>}	C[6](B[6]C[6a]2O[6])(C[6]P[6]CH)(H)2{1|C<4>,6|C<3>}	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2{2|C<4>,2|F<1>,2|H<1>,3|C<3>}	112.9060	1.020	2	112.9060	1.040	2	113.4584	7.711	28	113.4960	9.306	30	111.4021	13.744	174	111.4561	13.970	176
874	466	643	0:SP3_SP2_SP3	B[6]	C[6]	C[6a]	3:3:4:2:	4:4:1:1:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-4:O[6]-2:	B[6]-4:C[6]-4:H-1:H-1:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6])	C[6](B[6]C[6a]2O[6])(C[6]P[6]HH)(H)2	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6]){1|O<2>,1|P<3>,2|H<1>,4|C<3>,4|F<1>}	C[6](B[6]C[6a]2O[6])(C[6]P[6]HH)(H)2{6|C<3>}	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2{1|C<4>,2|F<1>,2|H<1>,4|C<3>}	112.4465	3.470	2	112.6708	6.808	6	113.4584	7.711	28	113.4960	9.306	30	111.4021	13.744	174	111.4561	13.970	176
874	466	643	0:SP3_SP2_SP3	B[6]	C[6]	C[6a]	3:3:4:2:	4:4:1:1:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-4:O[6]-2:	B[6]-4:C[6]-4:H-1:H-1:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6])	C[6](B[6]C[6a]2O[6])(C[6]P[6]HH)(H)2	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6]){1|P<4>,3|H<1>,4|F<1>,5|C<3>}	C[6](B[6]C[6a]2O[6])(C[6]P[6]HH)(H)2{1|C<4>,6|C<3>}	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2{2|C<4>,2|F<1>,2|H<1>,3|C<3>}	112.7830	2.699	4	112.6708	6.808	6	113.4584	7.711	28	113.4960	9.306	30	111.4021	13.744	174	111.4561	13.970	176
874	466	643	0:SP3_SP2_SP3	B[6]	C[6]	C[6a]	3:3:4:2:	4:4:1:1:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-4:O[6]-2:	B[6]-4:C[6]-4:H-1:H-1:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]N[6])	C[6](B[6]C[6a]2O[6])(C[6]P[6]HH)(H)2	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]N[6]){1|P<4>,2|H<1>,4|F<1>,5|C<3>}	C[6](B[6]C[6a]2O[6])(C[6]P[6]HH)(H)2{1|N<3>,6|C<3>}	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2{1|C<4>,1|N<3>,2|F<1>,2|H<1>,3|C<3>}	113.4730	1.435	2	113.4730	2.060	2	113.4584	7.711	28	113.4960	9.306	30	111.4021	13.744	174	111.4561	13.970	176
874	466	643	0:SP3_SP2_SP3	B[6]	C[6]	C[6a]	3:3:4:2:	4:4:1:1:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-4:O[6]-2:	B[6]-4:C[6]-4:H-1:H-1:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]S[6,6])	C[6](B[6]C[6a]2O[6])(C[6]P[6,6]HH)(H)2	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]S[6,6]){1|O<2>,1|P<4>,2|H<1>,4|C<3>,4|F<1>}	C[6](B[6]C[6a]2O[6])(C[6]P[6,6]HH)(H)2{1|C<4>,1|S<3>,5|C<3>}	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2{1|C<4>,1|S<3>,2|F<1>,2|H<1>,3|C<3>}	114.3680	3.876	4	114.3680	15.021	4	113.4584	7.711	28	113.4960	9.306	30	111.4021	13.744	174	111.4561	13.970	176
874	466	643	0:SP3_SP2_SP3	B[6]	C[6]	C[6a]	3:3:4:2:	4:4:1:1:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-4:S[6]-2:	B[6]-4:C[6]-4:H-1:H-1:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(S[6]C[6,6])	C[6](B[6]C[6a]2S[6])(C[6]P[6,6]HH)(H)2	C[6a](B[6]C[6a]C[6]S[6])(C[6a]C[6a]F)2	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(S[6]C[6,6]){1|N<3>,1|P<4>,2|H<1>,4|C<3>,4|F<1>}	C[6](B[6]C[6a]2S[6])(C[6]P[6,6]HH)(H)2{1|C<4>,6|C<3>}	C[6a](B[6]C[6a]C[6]S[6])(C[6a]C[6a]F)2{1|C<4>,2|F<1>,2|H<1>,4|C<3>}	114.0235	7.816	2	114.0235	61.084	2	114.0235	61.084	2	113.4960	9.306	30	111.4021	13.744	174	111.4561	13.970	176
874	466	643	0:SP3_SP2_SP3	B[6]	C[6]	C[6a]	3:3:4:3:	4:4:1:1:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-3:	B[6]-4:C[6]-4:H-1:H-1:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]C[6]H)	C[6](B[6]C[6a]2C[6])(C[6]C[6]HP)(H)2	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]F)2	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|P<4>,3|H<1>,4|C<3>,4|F<1>}	C[6](B[6]C[6a]2C[6])(C[6]C[6]HP)(H)2{1|C<4>,3|H<1>,4|C<3>}	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]F)2{2|C<4>,2|F<1>,3|C<3>,3|H<1>}	109.9950	5.494	2	109.9950	30.186	2	110.3194	16.888	8	110.3194	16.888	8	111.4021	13.744	174	111.4561	13.970	176
874	466	643	0:SP3_SP2_SP3	B[6]	C[6]	C[6a]	3:3:4:3:	4:4:1:1:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-3:	B[6]-4:C[6]-4:H-1:H-1:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]C[6]H)	C[6](B[6]C[6a]2C[6])(C[6]P[6]CH)(H)2	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]F)2	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|H<1>,1|P<4>,4|F<1>,5|C<3>}	C[6](B[6]C[6a]2C[6])(C[6]P[6]CH)(H)2{1|H<1>,7|C<3>}	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]F)2{1|C<4>,2|F<1>,3|H<1>,4|C<3>}	111.6600	6.686	2	111.6600	44.708	2	110.3194	16.888	8	110.3194	16.888	8	111.4021	13.744	174	111.4561	13.970	176
874	466	643	0:SP3_SP2_SP3	B[6]	C[6]	C[6a]	3:3:4:3:	4:4:1:1:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-3:	B[6]-4:C[6]-4:H-1:H-1:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]C[6]H)	C[6](B[6]C[6a]2C[6])(C[6]P[6]HH)(H)2	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]F)2	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]C[6]H){1|P<4>,2|H<1>,4|F<1>,5|C<3>}	C[6](B[6]C[6a]2C[6])(C[6]P[6]HH)(H)2{2|H<1>,6|C<3>}	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]F)2{1|C<4>,2|F<1>,3|H<1>,4|C<3>}	111.6430	4.815	2	111.6430	23.188	2	110.3194	16.888	8	110.3194	16.888	8	111.4021	13.744	174	111.4561	13.970	176
874	466	643	0:SP3_SP2_SP3	B[6]	C[6]	C[6a]	3:3:4:3:	4:4:1:1:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-3:	B[6]-4:C[6]-4:H-1:H-1:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]C[6]P)	C[6](B[6]C[6a]2C[6])(C[6]P[6]HH)(H)2	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]F)2	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]C[6]P){1|P<4>,2|H<1>,4|F<1>,5|C<3>}	C[6](B[6]C[6a]2C[6])(C[6]P[6]HH)(H)2{1|P<3>,7|C<3>}	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]F)2{1|C<4>,1|P<3>,2|F<1>,2|H<1>,4|C<3>}	107.9795	1.370	2	107.9795	1.876	2	110.3194	16.888	8	110.3194	16.888	8	111.4021	13.744	174	111.4561	13.970	176
874	466	643	0:SP3_SP2_SP3	B[6]	C[6]	C[6a]	3:3:4:4:	4:3:1:1:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-4:	B[6]-4:C[6]-3:H-1:H-1:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)2	C[6](B[6]C[6a]2C[6])(C[6]C[6]C)(H)2	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]F)2	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)2{1|C<4>,1|H<1>,1|P<4>,4|F<1>,5|C<3>}	C[6](B[6]C[6a]2C[6])(C[6]C[6]C)(H)2{2|C<4>,3|H<1>,4|C<3>}	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]F)2{1|C<4>,2|F<1>,4|C<3>,4|H<1>}	111.7035	5.471	2	111.7035	29.931	2	111.7035	29.931	2	110.7917	22.183	4	111.4021	13.744	174	111.4561	13.970	176
874	466	643	0:SP3_SP2_SP3	B[6]	C[6]	C[6a]	3:3:4:4:	4:3:1:1:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-4:P[6]-4:	B[6]-4:C[6]-3:H-1:H-1:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(P[6]C[6]CC)	C[6](B[6]C[6a]2P[6])(C[6]C[6]H)(H)2	C[6a](B[6]C[6a]C[6]P[6])(C[6a]C[6a]F)2	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(P[6]C[6]CC){3|H<1>,4|F<1>,5|C<3>}	C[6](B[6]C[6a]2P[6])(C[6]C[6]H)(H)2{4|C<3>,4|C<4>}	C[6a](B[6]C[6a]C[6]P[6])(C[6a]C[6a]F)2{2|F<1>,2|H<1>,3|C<4>,4|C<3>}	109.8800	5.770	2	109.8800	33.293	2	109.8800	33.293	2	110.7917	22.183	4	111.4021	13.744	174	111.4561	13.970	176
874	466	643	0:SP3_SP2_SP3	B[6]	C[6]	C[6a]	3:3:4:4:	4:4:1:1:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-4:	B[6]-4:C[6]-4:H-1:H-1:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)2	C[6](B[6]C[6a]2C[6])(C[6]C[6]HH)(H)2	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]F)2	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)2{1|C<4>,1|P<4>,3|H<1>,4|C<3>,4|F<1>}	C[6](B[6]C[6a]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,4|C<3>,4|H<1>}	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]F)2{2|C<4>,2|F<1>,3|C<3>,4|H<1>}	112.1380	4.933	2	112.1380	24.332	2	111.2585	12.116	18	109.8593	7.455	54	111.4021	13.744	174	111.4561	13.970	176
874	466	643	0:SP3_SP2_SP3	B[6]	C[6]	C[6a]	3:3:4:4:	4:4:1:1:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-4:	B[6]-4:C[6]-4:H-1:H-1:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)2	C[6](B[6]C[6a]2C[6])(C[6]C[6]HP)(H)2	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]F)2	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)2{1|C<4>,1|H<1>,1|P<4>,4|F<1>,5|C<3>}	C[6](B[6]C[6a]2C[6])(C[6]C[6]HP)(H)2{1|C<4>,3|H<1>,5|C<3>}	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]F)2{1|C<4>,2|F<1>,4|C<3>,4|H<1>}	111.3450	5.868	2	110.9760	11.700	4	111.2585	12.116	18	109.8593	7.455	54	111.4021	13.744	174	111.4561	13.970	176
874	466	643	0:SP3_SP2_SP3	B[6]	C[6]	C[6a]	3:3:4:4:	4:4:1:1:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-4:	B[6]-4:C[6]-4:H-1:H-1:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)2	C[6](B[6]C[6a]2C[6])(C[6]C[6]HP)(H)2	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]F)2	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)2{1|C<4>,1|P<4>,3|H<1>,4|C<3>,4|F<1>}	C[6](B[6]C[6a]2C[6])(C[6]C[6]HP)(H)2{1|C<4>,4|C<3>,4|H<1>}	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]F)2{2|C<4>,2|F<1>,3|C<3>,4|H<1>}	110.6070	0.358	2	110.9760	11.700	4	111.2585	12.116	18	109.8593	7.455	54	111.4021	13.744	174	111.4561	13.970	176
874	466	643	0:SP3_SP2_SP3	B[6]	C[6]	C[6a]	3:3:4:4:	4:4:1:1:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-4:	B[6]-4:C[6]-4:H-1:H-1:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)2	C[6](B[6]C[6a]2C[6])(C[6]P[6]HH)(H)2	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]F)2	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)2{1|O<2>,1|P<4>,3|H<1>,4|C<3>,4|F<1>}	C[6](B[6]C[6a]2C[6])(C[6]P[6]HH)(H)2{1|C<4>,2|H<1>,6|C<3>}	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]F)2{2|C<4>,2|F<1>,3|C<3>,4|H<1>}	111.3050	3.301	2	111.2295	11.164	10	111.2585	12.116	18	109.8593	7.455	54	111.4021	13.744	174	111.4561	13.970	176
874	466	643	0:SP3_SP2_SP3	B[6]	C[6]	C[6a]	3:3:4:4:	4:4:1:1:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-4:	B[6]-4:C[6]-4:H-1:H-1:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)2	C[6](B[6]C[6a]2C[6])(C[6]P[6]HH)(H)2	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]F)2	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)2{1|P<4>,4|C<3>,4|F<1>,4|H<1>}	C[6](B[6]C[6a]2C[6])(C[6]P[6]HH)(H)2{1|C<4>,3|H<1>,5|C<3>}	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]F)2{2|C<4>,2|F<1>,3|C<3>,4|H<1>}	111.2106	3.577	8	111.2295	11.164	10	111.2585	12.116	18	109.8593	7.455	54	111.4021	13.744	174	111.4561	13.970	176
874	466	643	0:SP3_SP2_SP3	B[6]	C[6]	C[6a]	3:3:4:4:	4:4:1:1:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-4:	B[6]-4:C[6]-4:H-1:H-1:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)2	C[6](B[6]C[6a]2C[6])(C[6]P[6]HO)(H)2	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]F)2	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)2{1|O<2>,1|P<4>,3|H<1>,4|C<3>,4|F<1>}	C[6](B[6]C[6a]2C[6])(C[6]P[6]HO)(H)2{1|C<4>,2|H<1>,6|C<3>}	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]F)2{2|C<4>,2|F<1>,3|C<3>,4|H<1>}	111.0890	6.643	2	111.0890	44.124	2	111.2585	12.116	18	109.8593	7.455	54	111.4021	13.744	174	111.4561	13.970	176
874	466	643	0:SP3_SP2_SP3	B[6]	C[6]	C[6a]	3:3:4:4:	4:4:1:1:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-4:	B[6]-4:P[6]-4:H-1:H-1:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6a]C[6a]2)2(C[6]P[6]HH)2	C[6](B[6]C[6a]2C[6])(P[6]C[6a]2P[6])(H)2	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]H)2	B[6](C[6a]C[6a]2)2(C[6]P[6]HH)2{1|P<3>,4|H<1>,8|C<3>}	C[6](B[6]C[6a]2C[6])(P[6]C[6a]2P[6])(H)2{1|Cr<6>,1|P<4>,2|H<1>,8|C<3>}	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]H)2{2|P<4>,3|C<3>,6|H<1>}	109.0145	1.866	4	109.2793	3.828	20	108.9747	3.028	28	109.8593	7.455	54	111.4021	13.744	174	111.4561	13.970	176
874	466	643	0:SP3_SP2_SP3	B[6]	C[6]	C[6a]	3:3:4:4:	4:4:1:1:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-4:	B[6]-4:P[6]-4:H-1:H-1:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6a]C[6a]2)2(C[6]P[6]HH)2	C[6](B[6]C[6a]2C[6])(P[6]C[6a]2P[6])(H)2	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]H)2	B[6](C[6a]C[6a]2)2(C[6]P[6]HH)2{1|P<3>,4|H<1>,8|C<3>}	C[6](B[6]C[6a]2C[6])(P[6]C[6a]2P[6])(H)2{1|Fe<5>,1|P<4>,2|H<1>,8|C<3>}	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]H)2{2|P<4>,3|C<3>,6|H<1>}	109.9668	2.863	4	109.2793	3.828	20	108.9747	3.028	28	109.8593	7.455	54	111.4021	13.744	174	111.4561	13.970	176
874	466	643	0:SP3_SP2_SP3	B[6]	C[6]	C[6a]	3:3:4:4:	4:4:1:1:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-4:	B[6]-4:P[6]-4:H-1:H-1:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6a]C[6a]2)2(C[6]P[6]HH)2	C[6](B[6]C[6a]2C[6])(P[6]C[6a]2P[6])(H)2	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]H)2	B[6](C[6a]C[6a]2)2(C[6]P[6]HH)2{1|P<3>,4|H<1>,8|C<3>}	C[6](B[6]C[6a]2C[6])(P[6]C[6a]2P[6])(H)2{1|Mo<6>,1|P<4>,2|H<1>,8|C<3>}	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]H)2{2|P<4>,3|C<3>,6|H<1>}	109.3085	2.301	4	109.2793	3.828	20	108.9747	3.028	28	109.8593	7.455	54	111.4021	13.744	174	111.4561	13.970	176
874	466	643	0:SP3_SP2_SP3	B[6]	C[6]	C[6a]	3:3:4:4:	4:4:1:1:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-4:	B[6]-4:P[6]-4:H-1:H-1:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6a]C[6a]2)2(C[6]P[6]HH)2	C[6](B[6]C[6a]2C[6])(P[6]C[6a]2P[6])(H)2	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]H)2	B[6](C[6a]C[6a]2)2(C[6]P[6]HH)2{1|P<3>,4|H<1>,8|C<3>}	C[6](B[6]C[6a]2C[6])(P[6]C[6a]2P[6])(H)2{1|P<4>,1|W<6>,2|H<1>,8|C<3>}	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]H)2{2|P<4>,3|C<3>,6|H<1>}	109.0127	1.902	4	109.2793	3.828	20	108.9747	3.028	28	109.8593	7.455	54	111.4021	13.744	174	111.4561	13.970	176
874	466	643	0:SP3_SP2_SP3	B[6]	C[6]	C[6a]	3:3:4:4:	4:4:1:1:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-4:	B[6]-4:P[6]-4:H-1:H-1:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6a]C[6a]2)2(C[6]P[6]HH)2	C[6](B[6]C[6a]2C[6])(P[6]C[6a]2P[6])(H)2	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]H)2	B[6](C[6a]C[6a]2)2(C[6]P[6]HH)2{1|P<4>,4|H<1>,8|C<3>}	C[6](B[6]C[6a]2C[6])(P[6]C[6a]2P[6])(H)2{2|Co<4>,1|P<4>,2|H<1>,8|C<3>}	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]H)2{2|P<4>,3|C<3>,6|H<1>}	109.0943	1.670	4	109.2793	3.828	20	108.9747	3.028	28	109.8593	7.455	54	111.4021	13.744	174	111.4561	13.970	176
874	466	643	0:SP3_SP2_SP3	B[6]	C[6]	C[6a]	3:3:4:4:	4:4:1:1:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-4:	B[6]-4:P[6]-4:H-1:H-1:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6a]C[6a]2)2(C[6]P[6]HH)2	C[6](B[6]C[6a]2C[6])(P[6]Ga[6]CC)(H)2	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]H)2	B[6](C[6a]C[6a]2)2(C[6]P[6]HH)2{1|Ga<4>,4|C<3>,4|C<4>,4|H<1>}	C[6](B[6]C[6a]2C[6])(P[6]Ga[6]CC)(H)2{1|Ga<4>,1|I<1>,1|P<4>,2|H<1>,4|C<3>}	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]H)2{2|P<4>,3|C<3>,6|H<1>}	108.2131	0.600	8	108.2131	0.360	8	108.9747	3.028	28	109.8593	7.455	54	111.4021	13.744	174	111.4561	13.970	176
874	466	643	0:SP3_SP2_SP3	B[6]	C[6]	C[6a]	3:3:4:4:	4:4:1:1:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-4:	P[6]-4:B[6]-4:H-1:H-1:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6a]C[6a]2)2(C[6]P[6]HH)2	C[6](P[6]C[6a]2Ga[6])(B[6]C[6a]2C[6])(H)2	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]H)2	B[6](C[6a]C[6a]2)2(C[6]P[6]HH)2{1|Ga<4>,4|H<1>,8|C<3>}	C[6](P[6]C[6a]2Ga[6])(B[6]C[6a]2C[6])(H)2{1|Ga<4>,1|I<1>,1|P<4>,2|H<1>,8|C<3>}	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]H)2{2|P<4>,3|C<3>,6|H<1>}	109.8578	2.829	4	109.8578	8.004	4	109.8070	7.176	8	109.8593	7.455	54	111.4021	13.744	174	111.4561	13.970	176
874	466	643	0:SP3_SP2_SP3	B[6]	C[6]	C[6a]	3:3:4:4:	4:4:1:1:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-4:	P[6]-4:B[6]-4:H-1:H-1:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6a]C[6a]2)2(C[6]P[6]HH)2	C[6](P[6]C[6a]2Ge[6])(B[6]C[6a]2C[6])(H)2	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]H)2	B[6](C[6a]C[6a]2)2(C[6]P[6]HH)2{1|Ge<3>,4|H<1>,8|C<3>}	C[6](P[6]C[6a]2Ge[6])(B[6]C[6a]2C[6])(H)2{1|C<4>,1|P<4>,2|H<1>,8|C<3>}	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]H)2{2|P<4>,3|C<3>,6|H<1>}	109.7562	2.955	4	109.7562	8.733	4	109.8070	7.176	8	109.8593	7.455	54	111.4021	13.744	174	111.4561	13.970	176
874	466	643	0:SP3_SP2_SP3	B[6]	C[6]	C[6a]	3:4:3:3:	3:4:1:1:	4:3:3:	N[5,6]-3:C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:B[6]-4:H-1:H-1:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](N[5,6]C[5,6]N[5])(C[6]C[6,6a]HH)(C[6a]C[6a]2)2	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]C[6a]2)(H)2	C[6a](B[6]N[5,6]C[6a]C[6])(C[6a]C[6a]C)2	B[6](N[5,6]C[5,6]N[5])(C[6]C[6,6a]HH)(C[6a]C[6a]2)2{1|N<3>,4|C<4>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]C[6a]2)(H)2{1|H<1>,1|N<2>,7|C<3>}	C[6a](B[6]N[5,6]C[6a]C[6])(C[6a]C[6a]C)2{1|N<2>,4|H<1>,5|C<3>}	113.0695	8.907	2	113.0695	79.342	2	111.0515	35.777	4	111.8659	29.159	12	111.4021	13.744	174	111.4561	13.970	176
874	466	643	0:SP3_SP2_SP3	B[6]	C[6]	C[6a]	3:4:3:3:	3:4:1:1:	4:3:3:	N[5,6]-3:C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:B[6]-4:H-1:H-1:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6,6a]HH)(C[6a]C[6a]2)2	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]C[6a]2)(H)2	C[6a](B[6]N[5,6]C[6a]C[6])(C[6a]C[6a]C)2	B[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6,6a]HH)(C[6a]C[6a]2)2{1|S<2>,4|C<4>,8|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]C[6a]2)(H)2{1|H<1>,8|C<3>}	C[6a](B[6]N[5,6]C[6a]C[6])(C[6a]C[6a]C)2{4|H<1>,6|C<3>}	109.0335	3.420	2	109.0335	11.698	2	111.0515	35.777	4	111.8659	29.159	12	111.4021	13.744	174	111.4561	13.970	176
874	466	643	0:SP3_SP2_SP3	B[6]	C[6]	C[6a]	3:4:3:3:	3:4:1:1:	4:3:3:	N[6,6]-3:C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:B[6]-4:H-1:H-1:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]2)2	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]C[6a]2)(H)2	C[6a](B[6]N[6,6]C[6a]C[6])(C[6a]C[6a]C)2	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]2)2{1|H<1>,4|C<4>,8|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]C[6a]2)(H)2{1|H<1>,1|N<2>,7|C<3>}	C[6a](B[6]N[6,6]C[6a]C[6])(C[6a]C[6a]C)2{4|H<1>,6|C<3>}	110.5570	9.361	2	111.6178	68.333	4	112.2731	29.920	8	111.8659	29.159	12	111.4021	13.744	174	111.4561	13.970	176
874	466	643	0:SP3_SP2_SP3	B[6]	C[6]	C[6a]	3:4:3:3:	3:4:1:1:	4:3:3:	N[6,6]-3:C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:B[6]-4:H-1:H-1:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]2)2	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]C[6a]2)(H)2	C[6a](B[6]N[6,6]C[6a]C[6])(C[6a]C[6a]C)2	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]2)2{1|H<1>,4|C<4>,8|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]C[6a]2)(H)2{1|H<1>,8|C<3>}	C[6a](B[6]N[6,6]C[6a]C[6])(C[6a]C[6a]C)2{4|H<1>,6|C<3>}	112.6785	10.624	2	111.6178	68.333	4	112.2731	29.920	8	111.8659	29.159	12	111.4021	13.744	174	111.4561	13.970	176
874	466	643	0:SP3_SP2_SP3	B[6]	C[6]	C[6a]	3:4:3:3:	3:4:1:1:	4:3:3:	N[6,6]-3:C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:B[6]-4:H-1:H-1:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]2)2	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]C[6a]2)(H)2	C[6a](B[6]N[6,6]C[6a]C[6])(C[6a]C[6a]F)2	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]2)2{2|F<1>,3|H<1>,8|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]C[6a]2)(H)2{1|H<1>,8|C<3>}	C[6a](B[6]N[6,6]C[6a]C[6])(C[6a]C[6a]F)2{2|F<1>,2|H<1>,6|C<3>}	113.6120	0.000	1	113.6120	0.000	1	112.2731	29.920	8	111.8659	29.159	12	111.4021	13.744	174	111.4561	13.970	176
874	466	643	0:SP3_SP2_SP3	B[6]	C[6]	C[6a]	3:4:3:3:	3:4:1:1:	4:3:3:	N[6,6]-3:C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:B[6]-4:H-1:H-1:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]2)2	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]C[6a]2)(H)2	C[6a](B[6]N[6,6]C[6a]C[6])(C[6a]C[6a]H)2	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]2)2{2|F<1>,3|H<1>,8|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]C[6a]2)(H)2{1|H<1>,8|C<3>}	C[6a](B[6]N[6,6]C[6a]C[6])(C[6a]C[6a]H)2{4|H<1>,6|C<3>}	113.1170	0.000	1	112.7007	0.192	3	112.2731	29.920	8	111.8659	29.159	12	111.4021	13.744	174	111.4561	13.970	176
874	466	643	0:SP3_SP2_SP3	B[6]	C[6]	C[6a]	3:4:3:3:	3:4:1:1:	4:3:3:	N[6,6]-3:C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:B[6]-4:H-1:H-1:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]2)2	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]C[6a]2)(H)2	C[6a](B[6]N[6,6]C[6a]C[6])(C[6a]C[6a]H)2	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]2)2{5|H<1>,8|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]C[6a]2)(H)2{1|H<1>,8|C<3>}	C[6a](B[6]N[6,6]C[6a]C[6])(C[6a]C[6a]H)2{4|H<1>,6|C<3>}	112.4925	0.353	2	112.7007	0.192	3	112.2731	29.920	8	111.8659	29.159	12	111.4021	13.744	174	111.4561	13.970	176
874	466	643	0:SP3_SP2_SP3	B[6]	C[6]	C[6a]	3:4:3:3:	3:4:4:1:	4:3:3:	N[6,6]-3:C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:B[6]-4:C-4:H-1:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]2)2	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]C[6a]2)(CCCH)(H)	C[6a](B[6]N[6,6]C[6a]C[6])(C[6a]C[6a]F)2	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]2)2{1|H<1>,1|N<3>,4|F<1>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]C[6a]2)(CCCH)(H){1|H<1>,8|C<3>}	C[6a](B[6]N[6,6]C[6a]C[6])(C[6a]C[6a]F)2{1|C<4>,1|H<1>,2|F<1>,6|C<3>}	111.1830	3.338	4	113.1408	9.948	12	113.1408	9.948	12	113.1408	9.948	12	111.4021	13.744	174	111.4561	13.970	176
874	466	643	0:SP3_SP2_SP3	B[6]	C[6]	C[6a]	3:4:3:3:	3:4:4:1:	4:3:3:	N[6,6]-3:C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:B[6]-4:C-4:H-1:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]2)2	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]C[6a]2)(CCCH)(H)	C[6a](B[6]N[6,6]C[6a]C[6])(C[6a]C[6a]F)2	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]2)2{1|H<1>,4|F<1>,8|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]C[6a]2)(CCCH)(H){1|H<1>,8|C<3>}	C[6a](B[6]N[6,6]C[6a]C[6])(C[6a]C[6a]F)2{1|C<4>,1|H<1>,2|F<1>,6|C<3>}	114.1197	2.752	8	113.1408	9.948	12	113.1408	9.948	12	113.1408	9.948	12	111.4021	13.744	174	111.4561	13.970	176
874	466	643	0:SP3_SP2_SP3	B[6]	C[6]	C[6a]	4:3:3:2:	4:3:3:1:	4:3:3:	C[6]-4:C[6a]-3:C[6a]-3:O[6]-2:	B[6]-4:C[6a]-3:C[6]-3:H-1:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)2(O[6]C[6])	C[6](B[6]C[6a]2O[6])(C[6a]C[6a]2)(C[6]O[6]C)(H)	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2	B[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)2(O[6]C[6]){1|N<3>,1|O<2>,4|F<1>,7|C<3>}	C[6](B[6]C[6a]2O[6])(C[6a]C[6a]2)(C[6]O[6]C)(H){2|F<1>,7|C<3>}	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2{1|H<1>,2|F<1>,6|C<3>}	111.5895	5.540	2	113.0350	13.084	4	113.0350	13.084	4	113.0350	13.084	4	111.4021	13.744	174	111.4561	13.970	176
874	466	643	0:SP3_SP2_SP3	B[6]	C[6]	C[6a]	4:3:3:2:	4:3:3:1:	4:3:3:	C[6]-4:C[6a]-3:C[6a]-3:O[6]-2:	B[6]-4:C[6a]-3:C[6]-3:H-1:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)2(O[6]C[6])	C[6](B[6]C[6a]2O[6])(C[6a]C[6a]2)(C[6]O[6]C)(H)	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2	B[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)2(O[6]C[6]){2|O<2>,4|F<1>,7|C<3>}	C[6](B[6]C[6a]2O[6])(C[6a]C[6a]2)(C[6]O[6]C)(H){2|F<1>,7|C<3>}	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2{1|H<1>,2|F<1>,6|C<3>}	114.4805	0.446	2	113.0350	13.084	4	113.0350	13.084	4	113.0350	13.084	4	111.4021	13.744	174	111.4561	13.970	176
874	466	643	0:SP3_SP2_SP3	B[6]	C[6]	C[6a]	4:3:3:2:	4:4:1:1:	4:3:3:	C[6]-4:C[6a]-3:C[6a]-3:O[6]-2:	C[3,6]-4:B[6]-4:H-1:H-1:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6]C[3,6]HH)(C[6a]C[6a]2)2(O[6]C[6])	C[6](C[3,6]C[3,5,6]C[3,5]H)(B[6]C[6a]2O[6])(H)2	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2	B[6](C[6]C[3,6]HH)(C[6a]C[6a]2)2(O[6]C[6]){1|H<1>,1|O<2>,2|C<4>,4|C<3>,4|F<1>}	C[6](C[3,6]C[3,5,6]C[3,5]H)(B[6]C[6a]2O[6])(H)2{2|C<4>,6|C<3>}	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2{1|C<4>,2|F<1>,2|H<1>,4|C<3>}	114.6625	3.109	2	114.6625	9.667	2	114.6625	9.667	2	112.6415	9.071	8	111.4021	13.744	174	111.4561	13.970	176
874	466	643	0:SP3_SP2_SP3	B[6]	C[6]	C[6a]	4:3:3:2:	4:4:1:1:	4:3:3:	C[6]-4:C[6a]-3:C[6a]-3:O[6]-2:	C[5,6]-4:B[6]-4:H-1:H-1:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6]C[5,6]HH)(C[6a]C[6a]2)2(O[6]C[6])	C[6](C[5,6]C[5,6]C[5]H)(B[6]C[6a]2O[6])(H)2	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2	B[6](C[6]C[5,6]HH)(C[6a]C[6a]2)2(O[6]C[6]){1|C<4>,1|H<1>,1|O<2>,4|F<1>,5|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(B[6]C[6a]2O[6])(H)2{1|C<4>,1|P<4>,2|H<1>,5|C<3>}	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2{1|C<4>,2|F<1>,2|H<1>,4|C<3>}	112.0560	4.361	2	112.0560	19.022	2	112.0560	19.022	2	112.6415	9.071	8	111.4021	13.744	174	111.4561	13.970	176
874	466	643	0:SP3_SP2_SP3	B[6]	C[6]	C[6a]	4:3:3:2:	4:4:1:1:	4:3:3:	C[6]-4:C[6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:B[6]-4:H-1:H-1:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6]C[6,6]HH)(C[6a]C[6a]2)2(O[6]C[5,6])	C[6](C[6,6]C[5,6,6]C[6]H)(B[6]C[6a]2O[6])(H)2	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2	B[6](C[6]C[6,6]HH)(C[6a]C[6a]2)2(O[6]C[5,6]){1|H<1>,1|O<2>,2|C<4>,4|F<1>,5|C<3>}	C[6](C[6,6]C[5,6,6]C[6]H)(B[6]C[6a]2O[6])(H)2{2|C<4>,3|H<1>,5|C<3>}	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2{2|C<4>,2|F<1>,2|H<1>,3|C<3>}	111.2730	1.619	2	111.2730	2.622	2	111.9237	7.964	4	112.6415	9.071	8	111.4021	13.744	174	111.4561	13.970	176
874	466	643	0:SP3_SP2_SP3	B[6]	C[6]	C[6a]	4:3:3:2:	4:4:1:1:	4:3:3:	C[6]-4:C[6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:B[6]-4:H-1:H-1:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6]C[6,6]HH)(C[6a]C[6a]2)2(O[6]C[6])	C[6](C[6,6]C[6,6]P[6]H)(B[6]C[6a]2O[6])(H)2	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2	B[6](C[6]C[6,6]HH)(C[6a]C[6a]2)2(O[6]C[6]){1|C<4>,1|H<1>,1|P<4>,4|F<1>,5|C<3>}	C[6](C[6,6]C[6,6]P[6]H)(B[6]C[6a]2O[6])(H)2{1|C<4>,8|C<3>}	C[6a](B[6]C[6a]C[6]O[6])(C[6a]C[6a]F)2{1|C<4>,2|F<1>,2|H<1>,4|C<3>}	112.5745	4.424	2	112.5745	19.575	2	111.9237	7.964	4	112.6415	9.071	8	111.4021	13.744	174	111.4561	13.970	176
874	466	643	0:SP3_SP2_SP3	B[6]	C[6]	C[6a]	4:3:3:3:	4:4:1:1:	4:3:3:	C[6]-4:C[6a]-3:C[6a]-3:C[6]-3:	B[6]-4:C[6,6]-4:H-1:H-1:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6]C[6,6]HH)(C[6a]C[6a]2)2(C[6]C[6]H)	C[6](B[6]C[6a]2C[6])(C[6,6]C[6]3)(H)2	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]F)2	B[6](C[6]C[6,6]HH)(C[6a]C[6a]2)2(C[6]C[6]H){1|P<4>,3|C<4>,4|C<3>,4|F<1>}	C[6](B[6]C[6a]2C[6])(C[6,6]C[6]3)(H)2{7|C<3>,7|H<1>}	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]F)2{1|C<4>,2|F<1>,3|H<1>,4|C<3>}	113.6840	0.953	2	113.6840	0.909	2	113.6840	0.909	2	113.6840	0.909	2	111.4021	13.744	174	111.4561	13.970	176
874	466	643	0:SP3_SP2_SP3	B[6]	C[6]	C[6a]	4:3:3:4:	3:4:1:1:	4:3:3:	C[6]-4:C[6a]-3:C[6a]-3:C[6]-4:	C[6,6]-3:B[6]-4:H-1:H-1:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6]C[6,6]HH)(C[6a]C[6a]2)2(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(B[6]C[6a]2C[6])(H)2	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]F)2	B[6](C[6]C[6,6]HH)(C[6a]C[6a]2)2(C[6]C[6]HH){1|C<4>,1|H<1>,1|P<4>,4|F<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])(B[6]C[6a]2C[6])(H)2{3|C<4>,4|C<3>,4|H<1>}	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]F)2{1|C<4>,2|F<1>,4|C<3>,4|H<1>}	111.7895	4.407	2	111.7895	19.425	2	111.7895	19.425	2	111.7895	19.425	2	111.4021	13.744	174	111.4561	13.970	176
874	466	643	0:SP3_SP2_SP3	B[6]	C[6]	C[6a]	4:3:3:4:	4:3:1:1:	4:3:3:	P[6]-4:C[6a]-3:C[6a]-3:C[6]-4:	B[6]-4:C[6]-3:H-1:H-1:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](P[6]C[6a]2C[6])(C[6a]C[6a]2)2(C[6]C[6]HH)	C[6](B[6]C[6a]2P[6])(C[6]C[6]H)(H)2	C[6a](B[6]C[6a]C[6]P[6])(C[6a]C[6a]F)2	B[6](P[6]C[6a]2C[6])(C[6a]C[6a]2)2(C[6]C[6]HH){3|H<1>,4|F<1>,9|C<3>}	C[6](B[6]C[6a]2P[6])(C[6]C[6]H)(H)2{2|C<4>,6|C<3>}	C[6a](B[6]C[6a]C[6]P[6])(C[6a]C[6a]F)2{1|C<4>,2|F<1>,2|H<1>,6|C<3>}	111.0252	3.898	4	111.0252	15.194	4	111.0252	15.194	4	111.0252	15.194	4	111.4021	13.744	174	111.4561	13.970	176
874	466	643	0:SP3_SP2_SP3	B[6]	C[6]	C[6a]	4:3:3:4:	4:4:1:1:	4:3:3:	C[5,6,6]-4:C[6a]-3:C[6a]-3:C[6]-4:	B[6]-4:C[6]-4:H-1:H-1:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6a]C[6a]2)2(C[6]C[6]HH)	C[6](B[6]C[5,6,6]C[6a]2)(C[6]P[6]HH)(H)2	C[6a](B[6]C[5,6,6]C[6a]C[6])(C[6a]C[6a]F)2	B[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6a]C[6a]2)2(C[6]C[6]HH){1|P<4>,3|C<4>,4|C<3>,4|F<1>,4|H<1>}	C[6](B[6]C[5,6,6]C[6a]2)(C[6]P[6]HH)(H)2{1|H<1>,2|C<4>,6|C<3>}	C[6a](B[6]C[5,6,6]C[6a]C[6])(C[6a]C[6a]F)2{2|F<1>,3|C<3>,3|C<4>,3|H<1>}	108.5710	8.275	2	108.5710	68.468	2	108.5710	68.468	2	109.8826	21.425	16	111.4021	13.744	174	111.4561	13.970	176
874	466	643	0:SP3_SP2_SP3	B[6]	C[6]	C[6a]	4:3:3:4:	4:4:1:1:	4:3:3:	C[5,6]-4:C[6a]-3:C[6a]-3:C[6]-4:	B[6]-4:C[6]-4:H-1:H-1:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[5,6]C[5,6]2H)(C[6a]C[6a]2)2(C[6]C[6]HH)	C[6](B[6]C[5,6]C[6a]2)(C[6]P[6]HH)(H)2	C[6a](B[6]C[5,6]C[6a]C[6])(C[6a]C[6a]F)2	B[6](C[5,6]C[5,6]2H)(C[6a]C[6a]2)2(C[6]C[6]HH){1|C<4>,1|P<4>,4|F<1>,4|H<1>,6|C<3>}	C[6](B[6]C[5,6]C[6a]2)(C[6]P[6]HH)(H)2{1|H<1>,2|C<4>,6|C<3>}	C[6a](B[6]C[5,6]C[6a]C[6])(C[6a]C[6a]F)2{2|F<1>,3|C<3>,3|C<4>,3|H<1>}	109.1400	6.662	2	109.1400	44.387	2	109.6528	15.114	10	109.8826	21.425	16	111.4021	13.744	174	111.4561	13.970	176
874	466	643	0:SP3_SP2_SP3	B[6]	C[6]	C[6a]	4:3:3:4:	4:4:1:1:	4:3:3:	C[5,6]-4:C[6a]-3:C[6a]-3:C[6]-4:	B[6]-4:C[6]-4:H-1:H-1:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[5,6]C[5,6]C[5]Ir)(C[6a]C[6a]2)2(C[6]C[6]HH)	C[6](B[6]C[5,6]C[6a]2)(C[6]C[6]HH)(H)2	C[6a](B[6]C[5,6]C[6a]C[6])(C[6a]C[6a]F)2	B[6](C[5,6]C[5,6]C[5]Ir)(C[6a]C[6a]2)2(C[6]C[6]HH){3|C<4>,3|H<1>,4|C<3>,4|F<1>}	C[6](B[6]C[5,6]C[6a]2)(C[6]C[6]HH)(H)2{1|Ir<10>,2|C<4>,2|H<1>,4|C<3>}	C[6a](B[6]C[5,6]C[6a]C[6])(C[6a]C[6a]F)2{1|Ir<10>,2|F<1>,2|H<1>,3|C<3>,3|C<4>}	110.9905	3.793	4	110.9905	14.389	4	109.6528	15.114	10	109.8826	21.425	16	111.4021	13.744	174	111.4561	13.970	176
874	466	643	0:SP3_SP2_SP3	B[6]	C[6]	C[6a]	4:3:3:4:	4:4:1:1:	4:3:3:	C[5,6]-4:C[6a]-3:C[6a]-3:C[6]-4:	B[6]-4:C[6]-4:H-1:H-1:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[5,6]C[5,6]C[5]Zr)(C[6a]C[6a]2)2(C[6]C[6]HH)	C[6](B[6]C[5,6]C[6a]2)(C[6]C[6]HH)(H)2	C[6a](B[6]C[5,6]C[6a]C[6])(C[6a]C[6a]F)2	B[6](C[5,6]C[5,6]C[5]Zr)(C[6a]C[6a]2)2(C[6]C[6]HH){1|F<2>,3|C<4>,3|F<1>,3|H<1>,4|C<3>}	C[6](B[6]C[5,6]C[6a]2)(C[6]C[6]HH)(H)2{1|Zr<15>,2|C<4>,2|H<1>,4|C<3>}	C[6a](B[6]C[5,6]C[6a]C[6])(C[6a]C[6a]F)2{1|Zr<15>,2|F<1>,2|H<1>,3|C<3>,3|C<4>}	108.5715	3.469	4	108.5715	12.036	4	109.6528	15.114	10	109.8826	21.425	16	111.4021	13.744	174	111.4561	13.970	176
874	466	643	0:SP3_SP2_SP3	B[6]	C[6]	C[6a]	4:3:3:4:	4:4:1:1:	4:3:3:	C[6]-4:C[6a]-3:C[6a]-3:C[6]-4:	B[6]-4:C[6]-4:H-1:H-1:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6]C[6,6]HH)(C[6a]C[6a]2)2(C[6]C[6]HH)	C[6](B[6]C[6a]2C[6])(C[6]C[6,6]HP)(H)2	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]F)2	B[6](C[6]C[6,6]HH)(C[6a]C[6a]2)2(C[6]C[6]HH){1|C<4>,1|H<1>,1|P<4>,4|F<1>,5|C<3>}	C[6](B[6]C[6a]2C[6])(C[6]C[6,6]HP)(H)2{1|C<4>,3|H<1>,5|C<3>}	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]F)2{1|C<4>,2|F<1>,4|C<3>,4|H<1>}	110.8755	6.288	2	110.8755	39.543	2	110.8755	39.543	2	109.8826	21.425	16	111.4021	13.744	174	111.4561	13.970	176
874	466	643	0:SP3_SP2_SP3	B[6]	C[6]	C[6a]	4:3:3:4:	4:4:1:1:	4:3:3:	P[6]-4:C[6a]-3:C[6a]-3:C[6]-4:	B[6]-4:C[6]-4:H-1:H-1:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](P[6]C[5,6]C[6a]2)(C[6a]C[6a]2)2(C[6]C[6]HH)	C[6](B[6]C[6a]2P[6])(C[6]C[5,6]HH)(H)2	C[6a](B[6]C[6a]C[6]P[6])(C[6a]C[6a]F)2	B[6](P[6]C[5,6]C[6a]2)(C[6a]C[6a]2)2(C[6]C[6]HH){1|Fe<10>,2|C<4>,2|H<1>,4|F<1>,8|C<3>}	C[6](B[6]C[6a]2P[6])(C[6]C[5,6]HH)(H)2{1|Fe<10>,2|C<4>,6|C<3>}	C[6a](B[6]C[6a]C[6]P[6])(C[6a]C[6a]F)2{2|C<4>,2|F<1>,2|H<1>,5|C<3>}	111.3500	8.191	2	111.3500	67.095	2	111.3500	67.095	2	109.8826	21.425	16	111.4021	13.744	174	111.4561	13.970	176
874	466	643	0:SP3_SP2_SP3	B[6]	C[6]	C[6a]	4:3:4:4:	4:4:1:1:	4:3:3:	P[6]-4:C[6a]-3:C[6]-4:C-4:	B[6]-4:P[6]-4:H-1:H-1:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](P[6]C[6a]2C[6])(C[6a]C[6a]2)(C[6]P[6]HH)(CHHP)	C[6](B[6]C[6a]P[6]C)(P[6]C[6a]2B[6])(H)2	C[6a](B[6]C[6]P[6]C)(C[6a]C[6a]H)2	B[6](P[6]C[6a]2C[6])(C[6a]C[6a]2)(C[6]P[6]HH)(CHHP){1|B<4>,4|H<1>,8|C<3>}	C[6](B[6]C[6a]P[6]C)(P[6]C[6a]2B[6])(H)2{2|C<4>,9|C<3>}	C[6a](B[6]C[6]P[6]C)(C[6a]C[6a]H)2{1|C<4>,1|P<4>,3|C<3>,4|H<1>}	111.3517	0.302	3	111.3517	0.091	3	111.3517	0.091	3	111.3517	0.091	3	111.4021	13.744	174	111.4561	13.970	176
874	466	643	0:SP3_SP2_SP3	B[6]	C[6]	C[6a]	4:4:3:3:	4:4:1:1:	4:3:3:	C[6]-4:C[6]-4:C[6a]-3:C[6a]-3:	C[3x6]-4:B[6]-4:H-1:H-1:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(C[6a]C[6a]2)2	C[6](C[3x6]C[6,6]2C[6])(B[6]C[6a]2C[6])(H)2	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]F)2	B[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(C[6a]C[6a]2)2{1|P<4>,4|C<3>,4|C<4>,4|F<1>}	C[6](C[3x6]C[6,6]2C[6])(B[6]C[6a]2C[6])(H)2{3|C<4>,6|C<3>,6|H<1>}	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]F)2{2|C<4>,2|F<1>,3|C<3>,4|H<1>}	111.4850	8.125	2	111.4850	66.010	2	111.4850	66.010	2	110.4100	24.219	4	111.4021	13.744	174	111.4561	13.970	176
874	466	643	0:SP3_SP2_SP3	B[6]	C[6]	C[6a]	4:4:3:3:	4:4:1:1:	4:3:3:	C[6]-4:C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:B[6]-4:H-1:H-1:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(C[6a]C[6a]2)2	C[6](C[6,6]C[6,6]C[6]P)(B[6]C[6a]2C[6])(H)2	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]F)2	B[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(C[6a]C[6a]2)2{1|P<4>,4|C<3>,4|C<4>,4|F<1>}	C[6](C[6,6]C[6,6]C[6]P)(B[6]C[6a]2C[6])(H)2{1|C<4>,5|C<3>,6|H<1>}	C[6a](B[6]C[6a]C[6]2)(C[6a]C[6a]F)2{2|C<4>,2|F<1>,3|C<3>,4|H<1>}	109.3350	1.423	2	109.3350	2.024	2	109.3350	2.024	2	110.4100	24.219	4	111.4021	13.744	174	111.4561	13.970	176
874	466	643	6:SP3_SP2_SP3	B[3x6]	C[6,6]	C[6,6,6a]	3:3:4:3:	4:4:1:1:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:C[5]-3:	B[3x6]-4:C[6,6]-4:H-1:H-1:	B[3x6]-4:C[6,6,6a]-3:C[6a]-3:	B[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(C[5]N[5]2)	C[6,6](B[3x6]C[6,6,6a]2C[5])(C[6,6]B[3x6]HH)(H)2	C[6,6,6a](B[3x6]C[6,6,6a]C[6,6]C[5])(C[6,6,6a]B[3x6]C[6a])(C[6a]C[6a]H)	B[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(C[5]N[5]2){1|B<4>,4|H<1>,8|C<3>}	C[6,6](B[3x6]C[6,6,6a]2C[5])(C[6,6]B[3x6]HH)(H)2{2|N<3>,5|C<3>}	C[6,6,6a](B[3x6]C[6,6,6a]C[6,6]C[5])(C[6,6,6a]B[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,2|N<3>,4|C<3>,4|H<1>}	101.7000	1.157	4	101.7000	1.339	4	101.7000	1.339	4	101.7000	1.339	4	101.7000	1.339	4	101.7000	1.339	4
874	466	762	0:SP3_SP2_SP3	B[6,6]	C[6,6]	C[6]	4:4:3:1:	4:4:4:1:	4:3:3:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6]-4:N[6]-3:N[6]-3:	B[6,6](C[6,6]C[6]2H)2(C[6]N[6]2)(H)	C[6,6](B[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(H)	C[6](B[6,6]C[6,6]2H)(N[6]C[5,6]C)2	B[6,6](C[6,6]C[6]2H)2(C[6]N[6]2)(H){6|C<4>,8|H<1>}	C[6,6](B[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(H){2|C<4>,2|N<3>,5|H<1>}	C[6](B[6,6]C[6,6]2H)(N[6]C[5,6]C)2{3|H<1>,8|C<4>}	118.7800	11.568	2	118.7800	133.825	2	118.7800	133.825	2	118.7800	133.825	2	118.7800	133.825	2	118.7800	133.825	2
874	466	762	6:SP3_SP2_SP3	B[3x6]	C[6,6]	C[6,6]	4:3:3:3:	4:4:2:1:	4:3:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:N[6]-3:	B[3x6]-4:C[6,6]-4:C-2:H-1:	B[3x6]-4:C[6,6]-3:H-1:	B[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)2(N[6]C[6]2)	C[6,6](B[3x6]C[6,6]2N[6])(C[6,6]C[3x6]CH)(CN)(H)	C[6,6](B[3x6]C[6,6]2N[6])(C[6,6]C[3x6]H)(H)	B[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)2(N[6]C[6]2){1|C<2>,1|C<4>,2|C<3>,5|H<1>}	C[6,6](B[3x6]C[6,6]2N[6])(C[6,6]C[3x6]CH)(CN)(H){3|H<1>,4|C<3>}	C[6,6](B[3x6]C[6,6]2N[6])(C[6,6]C[3x6]H)(H){1|C<2>,1|C<4>,3|C<3>,3|H<1>}	103.6440	1.550	2	103.6440	2.402	2	103.6440	2.402	2	103.6440	2.402	2	103.6440	2.402	2	106.4761	4.538	7
874	466	762	6:SP3_SP2_SP3	B[6]	C[6]	C[6]	3:3:4:3:	4:4:1:1:	4:3:1:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-3:	B[6]-4:C[6]-4:H-1:H-1:	B[6]-4:C[6]-3:H-1:	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]C[6]H)	C[6](B[6]C[6a]2C[6])(C[6]P[6]CH)(H)2	C[6](B[6]C[6a]2C[6])(C[6]P[6]C)(H)	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|H<1>,1|P<4>,4|F<1>,5|C<3>}	C[6](B[6]C[6a]2C[6])(C[6]P[6]CH)(H)2{1|H<1>,7|C<3>}	C[6](B[6]C[6a]2C[6])(C[6]P[6]C)(H){1|C<4>,2|H<1>,6|C<3>}	108.9210	0.000	1	108.9210	0.000	1	108.1920	1.063	2	108.1920	1.063	2	107.6090	0.592	5	106.4761	4.538	7
874	466	762	6:SP3_SP2_SP3	B[6]	C[6]	C[6]	3:3:4:3:	4:4:1:1:	4:3:1:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-3:	B[6]-4:C[6]-4:H-1:H-1:	B[6]-4:C[6]-3:H-1:	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]C[6]H)	C[6](B[6]C[6a]2C[6])(C[6]P[6]HH)(H)2	C[6](B[6]C[6a]2C[6])(C[6]C[6a]P[6])(H)	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]C[6]H){1|P<4>,2|H<1>,4|F<1>,5|C<3>}	C[6](B[6]C[6a]2C[6])(C[6]P[6]HH)(H)2{2|H<1>,6|C<3>}	C[6](B[6]C[6a]2C[6])(C[6]C[6a]P[6])(H){1|C<4>,3|H<1>,7|C<3>}	107.4630	0.000	1	107.4630	0.000	1	108.1920	1.063	2	108.1920	1.063	2	107.6090	0.592	5	106.4761	4.538	7
874	466	762	6:SP3_SP2_SP3	B[6]	C[6]	C[6]	3:3:4:3:	4:4:1:1:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-3:	B[6]-4:C[6]-4:H-1:H-1:	B[6]-4:C[6]-3:P-3:	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]C[6]P)	C[6](B[6]C[6a]2C[6])(C[6]P[6]HH)(H)2	C[6](B[6]C[6a]2C[6])(C[6]C[6a]P[6])(PC[6a]C)	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]C[6]P){1|P<4>,2|H<1>,4|F<1>,5|C<3>}	C[6](B[6]C[6a]2C[6])(C[6]P[6]HH)(H)2{1|P<3>,7|C<3>}	C[6](B[6]C[6a]2C[6])(C[6]C[6a]P[6])(PC[6a]C){1|C<4>,2|H<1>,8|C<3>}	107.5480	0.000	1	107.5480	0.000	1	107.5480	0.000	1	107.5480	0.000	1	107.6090	0.592	5	106.4761	4.538	7
874	466	762	6:SP3_SP2_SP3	B[6]	C[6]	C[6]	3:3:4:3:	4:4:1:1:	4:4:1:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-3:	B[6]-4:C[6]-4:H-1:H-1:	B[6]-4:C[6]-4:H-1:	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]C[6]H)	C[6](B[6]C[6a]2C[6])(C[6]C[6]HP)(H)2	C[6](B[6]C[6a]2C[6])(C[6]C[6]HH)(H)	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|P<4>,3|H<1>,4|C<3>,4|F<1>}	C[6](B[6]C[6a]2C[6])(C[6]C[6]HP)(H)2{1|C<4>,3|H<1>,4|C<3>}	C[6](B[6]C[6a]2C[6])(C[6]C[6]HH)(H){1|C<4>,4|C<3>,4|H<1>}	107.1300	0.000	1	107.1300	0.000	1	107.1300	0.000	1	107.1300	0.000	1	107.6090	0.592	5	106.4761	4.538	7
874	466	762	6:SP3_SP2_SP3	B[6]	C[6]	C[6]	4:3:3:3:	4:4:1:1:	4:3:1:	C[6]-4:C[6a]-3:C[6a]-3:C[6]-3:	B[6]-4:C[6,6]-4:H-1:H-1:	B[6]-4:C[6]-3:H-1:	B[6](C[6]C[6,6]HH)(C[6a]C[6a]2)2(C[6]C[6]H)	C[6](B[6]C[6a]2C[6])(C[6,6]C[6]3)(H)2	C[6](B[6]C[6a]2C[6])(C[6]C[6]P)(H)	B[6](C[6]C[6,6]HH)(C[6a]C[6a]2)2(C[6]C[6]H){1|P<4>,3|C<4>,4|C<3>,4|F<1>}	C[6](B[6]C[6a]2C[6])(C[6,6]C[6]3)(H)2{7|C<3>,7|H<1>}	C[6](B[6]C[6a]2C[6])(C[6]C[6]P)(H){1|C<4>,4|C<3>,4|H<1>}	106.9830	0.000	1	106.9830	0.000	1	106.9830	0.000	1	106.9830	0.000	1	107.6090	0.592	5	106.4761	4.538	7
874	466	790	0:SP3_SP-NON_SP3	B[6,6]	C[3x6]	Cl	4:4:4:1:	3:3:4:1:	4:	C[3x6]-4:B[6,6]-4:N-4:Cl-1:	C[6,6,6a]-3:C[6,6,6a]-3:B[6,6]-4:H-1:	B[6,6]-4:	B[6,6](C[3x6]C[6,6,6a]2H)(B[6,6]C[3x6]ClN)(NCCH)(Cl)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(B[6,6]B[6,6]ClN)(H)	Cl(B[6,6]B[6,6]C[3x6]N)	B[6,6](C[3x6]C[6,6,6a]2H)(B[6,6]C[3x6]ClN)(NCCH)(Cl){1|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(B[6,6]B[6,6]ClN)(H){1|Cl<1>,1|C<4>,1|N<4>,2|H<1>,4|C<3>}	Cl(B[6,6]B[6,6]C[3x6]N)	106.6535	0.071	2	106.6535	0.005	2	106.6535	0.005	2	106.6535	0.005	2	106.6535	0.005	2	106.6535	0.005	2
874	466	818	0:SP3_SP2_SP3	B[3x6]	C[6,6]	C[5]	3:3:4:3:	4:4:1:1:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:C[5]-3:	B[3x6]-4:C[6,6]-4:H-1:H-1:	B[3x6]-4:N[5]-3:N[5]-3:	B[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(C[5]N[5]2)	C[6,6](B[3x6]C[6,6,6a]2C[5])(C[6,6]B[3x6]HH)(H)2	C[5](B[3x6]C[6,6,6a]2C[6,6])(N[5]C[6a]C[5])2	B[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(C[5]N[5]2){1|B<4>,4|H<1>,8|C<3>}	C[6,6](B[3x6]C[6,6,6a]2C[5])(C[6,6]B[3x6]HH)(H)2{2|N<3>,5|C<3>}	C[5](B[3x6]C[6,6,6a]2C[6,6])(N[5]C[6a]C[5])2{1|C<4>,4|H<1>,8|C<3>}	115.9730	0.123	2	115.9730	0.015	2	115.9730	0.015	2	115.9730	0.015	2	115.9730	0.015	2	115.7440	17.210	34
874	466	818	0:SP3_SP2_SP3	B[6,6]	C[6,6]	C[5]	4:4:3:1:	4:4:4:1:	3:3:4:	C[6,6]-4:C[6,6]-4:C[5]-3:H-1:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	N[5,5]-3:N[5,5]-3:B[6,6]-4:	B[6,6](C[6,6]C[6]2H)2(C[5]N[5,5]2)(H)	C[6,6](B[6,6]C[6,6]C[5]H)(C[6]C[6]HH)2(H)	C[5](N[5,5]C[5,5]C[5])2(B[6,6]C[6,6]2H)	B[6,6](C[6,6]C[6]2H)2(C[5]N[5,5]2)(H){2|C<3>,4|C<4>,8|H<1>}	C[6,6](B[6,6]C[6,6]C[5]H)(C[6]C[6]HH)2(H){2|C<4>,2|N<3>,5|H<1>}	C[5](N[5,5]C[5,5]C[5])2(B[6,6]C[6,6]2H){2|O<2>,4|H<1>,8|C<4>}	114.8675	6.283	4	114.8675	39.480	4	114.8675	39.480	4	114.8675	39.480	4	115.7297	18.317	32	115.7440	17.210	34
874	466	818	0:SP3_SP2_SP3	B[6,6]	C[6,6]	C[5]	4:4:3:1:	4:4:4:1:	4:3:3:	C[6,6]-4:C[6,6]-4:C[5]-3:H-1:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6]-4:C[5]-3:N[5]-3:	B[6,6](C[6,6]C[6]2H)2(C[5]C[5]N[5])(H)	C[6,6](B[6,6]C[6,6]C[5]H)(C[6]C[6]HH)2(H)	C[5](B[6,6]C[6,6]2H)(C[5]C[6a]N[5])(N[5]C[6a]C[5])	B[6,6](C[6,6]C[6]2H)2(C[5]C[5]N[5])(H){1|N<3>,2|C<4>,3|C<3>,8|H<1>}	C[6,6](B[6,6]C[6,6]C[5]H)(C[6]C[6]HH)2(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[5](B[6,6]C[6,6]2H)(C[5]C[6a]N[5])(N[5]C[6a]C[5]){2|H<1>,4|C<4>,6|C<3>}	113.9355	3.962	2	113.9355	15.697	2	113.9355	15.697	2	116.3874	14.940	24	115.7297	18.317	32	115.7440	17.210	34
874	466	818	0:SP3_SP2_SP3	B[6,6]	C[6,6]	C[5]	4:4:3:1:	4:4:4:1:	4:3:3:	C[6,6]-4:C[6,6]-4:C[5]-3:H-1:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6]-4:N[5]-3:N[5]-3:	B[6,6](C[6,6]C[6]2H)2(C[5]N[5]2)(H)	C[6,6](B[6,6]C[6,6]C[5]H)(C[6]C[6]HH)2(H)	C[5](B[6,6]C[6,6]2H)(N[5]C[5]C)2	B[6,6](C[6,6]C[6]2H)2(C[5]N[5]2)(H){2|C<3>,4|C<4>,8|H<1>}	C[6,6](B[6,6]C[6,6]C[5]H)(C[6]C[6]HH)2(H){2|C<4>,2|N<3>,5|H<1>}	C[5](B[6,6]C[6,6]2H)(N[5]C[5]C)2{2|Cl<1>,2|H<1>,4|C<4>}	116.0105	6.587	2	116.5763	16.305	16	116.5498	13.586	20	116.3874	14.940	24	115.7297	18.317	32	115.7440	17.210	34
874	466	818	0:SP3_SP2_SP3	B[6,6]	C[6,6]	C[5]	4:4:3:1:	4:4:4:1:	4:3:3:	C[6,6]-4:C[6,6]-4:C[5]-3:H-1:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6]-4:N[5]-3:N[5]-3:	B[6,6](C[6,6]C[6]2H)2(C[5]N[5]2)(H)	C[6,6](B[6,6]C[6,6]C[5]H)(C[6]C[6]HH)2(H)	C[5](B[6,6]C[6,6]2H)(N[5]C[5]C)2	B[6,6](C[6,6]C[6]2H)2(C[5]N[5]2)(H){2|C<3>,4|C<4>,8|H<1>}	C[6,6](B[6,6]C[6,6]C[5]H)(C[6]C[6]HH)2(H){2|C<4>,2|N<3>,5|H<1>}	C[5](B[6,6]C[6,6]2H)(N[5]C[5]C)2{2|H<1>,6|C<4>}	116.2943	4.267	4	116.5763	16.305	16	116.5498	13.586	20	116.3874	14.940	24	115.7297	18.317	32	115.7440	17.210	34
874	466	818	0:SP3_SP2_SP3	B[6,6]	C[6,6]	C[5]	4:4:3:1:	4:4:4:1:	4:3:3:	C[6,6]-4:C[6,6]-4:C[5]-3:H-1:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6]-4:N[5]-3:N[5]-3:	B[6,6](C[6,6]C[6]2H)2(C[5]N[5]2)(H)	C[6,6](B[6,6]C[6,6]C[5]H)(C[6]C[6]HH)2(H)	C[5](B[6,6]C[6,6]2H)(N[5]C[5]C)2	B[6,6](C[6,6]C[6]2H)2(C[5]N[5]2)(H){2|C<3>,4|C<4>,8|H<1>}	C[6,6](B[6,6]C[6,6]C[5]H)(C[6]C[6]HH)2(H){2|C<4>,2|N<3>,5|H<1>}	C[5](B[6,6]C[6,6]2H)(N[5]C[5]C)2{4|C<4>,4|H<1>}	116.8022	4.015	10	116.5763	16.305	16	116.5498	13.586	20	116.3874	14.940	24	115.7297	18.317	32	115.7440	17.210	34
874	466	818	0:SP3_SP2_SP3	B[6,6]	C[6,6]	C[5]	4:4:3:1:	4:4:4:1:	4:3:3:	C[6,6]-4:C[6,6]-4:C[5]-3:H-1:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6]-4:N[5]-3:N[5]-3:	B[6,6](C[6,6]C[6]2H)2(C[5]N[5]2)(H)	C[6,6](B[6,6]C[6,6]C[5]H)(C[6]C[6]HH)2(H)	C[5](B[6,6]C[6,6]2H)(N[5]C[6a]C[5])(N[5]C[5]C)	B[6,6](C[6,6]C[6]2H)2(C[5]N[5]2)(H){3|C<3>,3|C<4>,8|H<1>}	C[6,6](B[6,6]C[6,6]C[5]H)(C[6]C[6]HH)2(H){2|C<4>,2|N<3>,5|H<1>}	C[5](B[6,6]C[6,6]2H)(N[5]C[6a]C[5])(N[5]C[5]C){2|C<3>,4|C<4>,4|H<1>}	116.5120	3.599	2	116.5120	12.954	2	116.5498	13.586	20	116.3874	14.940	24	115.7297	18.317	32	115.7440	17.210	34
874	466	818	0:SP3_SP2_SP3	B[6,6]	C[6,6]	C[5]	4:4:3:1:	4:4:4:1:	4:3:3:	C[6,6]-4:C[6,6]-4:C[5]-3:H-1:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6]-4:N[5]-3:N[5]-3:	B[6,6](C[6,6]C[6]2H)2(C[5]N[5]2)(H)	C[6,6](B[6,6]C[6,6]C[5]H)(C[6]C[6]HH)2(H)	C[5](B[6,6]C[6,6]2H)(N[5]C[6a]C[5])2	B[6,6](C[6,6]C[6]2H)2(C[5]N[5]2)(H){2|C<4>,4|C<3>,8|H<1>}	C[6,6](B[6,6]C[6,6]C[5]H)(C[6]C[6]HH)2(H){2|C<4>,2|N<3>,5|H<1>}	C[5](B[6,6]C[6,6]2H)(N[5]C[6a]C[5])2{4|C<3>,4|C<4>,4|H<1>}	116.3765	0.736	2	116.3765	0.542	2	116.5498	13.586	20	116.3874	14.940	24	115.7297	18.317	32	115.7440	17.210	34
874	466	818	0:SP3_SP2_SP3	B[6,6]	C[6,6]	C[5]	4:4:3:1:	4:4:4:1:	4:3:3:	C[6,6]-4:C[6,6]-4:C[5]-3:I-1:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6]-4:N[5]-3:N[5]-3:	B[6,6](C[6,6]C[6]2H)2(C[5]N[5]2)(I)	C[6,6](B[6,6]C[6,6]C[5]I)(C[6]C[6]HH)2(H)	C[5](B[6,6]C[6,6]2I)(N[5]B[6,6]C[5])(N[5]C[5]C)	B[6,6](C[6,6]C[6]2H)2(C[5]N[5]2)(I){1|B<3>,2|C<3>,3|C<4>,8|H<1>}	C[6,6](B[6,6]C[6,6]C[5]I)(C[6]C[6]HH)2(H){2|C<4>,2|N<3>,5|H<1>}	C[5](B[6,6]C[6,6]2I)(N[5]B[6,6]C[5])(N[5]C[5]C){4|H<1>,6|C<4>}	117.2145	7.475	2	117.2145	55.873	2	117.2145	55.873	2	116.3874	14.940	24	115.7297	18.317	32	115.7440	17.210	34
874	466	818	0:SP3_SP2_SP3	B[6,6]	C[6,6]	C[5]	4:4:3:3:	4:4:4:1:	4:3:3:	C[6,6]-4:C[6,6]-4:C[5]-3:C[5]-3:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6]-4:N[5]-3:N[5]-3:	B[6,6](C[6,6]C[6]2H)2(C[5]N[5]2)2	C[6,6](B[6,6]C[6,6]C[5]2)(C[6]C[6]HH)2(H)	C[5](B[6,6]C[6,6]2C[5])(N[5]C[5]C)2	B[6,6](C[6,6]C[6]2H)2(C[5]N[5]2)2{4|C<3>,6|C<4>,8|H<1>}	C[6,6](B[6,6]C[6,6]C[5]2)(C[6]C[6]HH)2(H){2|C<4>,4|N<3>,5|H<1>}	C[5](B[6,6]C[6,6]2C[5])(N[5]C[5]C)2{2|Cl<1>,2|H<1>,2|N<3>,4|C<4>}	112.6460	4.257	4	112.6460	18.118	4	112.6460	18.118	4	112.6460	18.118	4	115.7297	18.317	32	115.7440	17.210	34
874	466	818	6:SP3_SP2_SP3	B[6]	C[6]	C[5,6]	3:4:3:1:	3:4:4:4:	3:3:4:	C[5,6]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:B[6]-4:C-4:C-4:	N[5,6]-3:N[5]-3:B[6]-4:	B[6](C[5,6]N[5,6]N[5])(C[6]C[6,6a]CC)(NCC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(B[6]C[5,6]HN)(CH3)2	C[5,6](N[5,6]C[6,6a]C[5])(N[5]C[6a]C[5])(B[6]C[6]HN)	B[6](C[5,6]N[5,6]N[5])(C[6]C[6,6a]CC)(NCC)(H){5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(B[6]C[5,6]HN)(CH3)2{1|H<1>,2|C<3>,2|N<3>}	C[5,6](N[5,6]C[6,6a]C[5])(N[5]C[6a]C[5])(B[6]C[6]HN){2|C<4>,2|H<1>,4|C<3>}	100.0250	0.000	1	100.0250	0.000	1	100.0250	0.000	1	100.0250	0.000	1	100.0250	0.000	1	100.0250	0.000	1
874	466	830	0:SP3_SP-NON_SP3	B[6]	C[6,6]	F	4:2:3:1:	4:4:4:1:	4:	C[6,6]-4:O[6]-2:N[6]-3:F-1:	C[6,6]-4:C[6,6]-4:B[6]-4:H-1:	B[6]-4:	B[6](C[6,6]C[6,6]2H)(O[6]C[6,6])(N[6]C[6]C)(F)	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(B[6]N[6]O[6]F)(H)	F(B[6]C[6,6]N[6]O[6])	B[6](C[6,6]C[6,6]2H)(O[6]C[6,6])(N[6]C[6]C)(F){1|C<2>,1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(B[6]N[6]O[6]F)(H){2|C<3>,2|H<1>,3|C<4>}	F(B[6]C[6,6]N[6]O[6])	111.7680	0.000	1	111.7680	0.000	1	111.9530	0.068	2	111.9530	0.068	2	111.9530	0.068	2	112.6765	0.876	4
874	466	830	0:SP3_SP-NON_SP3	B[6]	C[6,6]	F	4:2:3:1:	4:4:4:1:	4:	C[6,6]-4:O[6]-2:N[6]-3:F-1:	C[6,6]-4:C[6,6]-4:B[6]-4:H-1:	B[6]-4:	B[6](C[6,6]C[6,6]2H)(O[6]C[6,6a])(N[6]C[6]C)(F)	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(B[6]N[6]O[6]F)(H)	F(B[6]C[6,6]N[6]O[6])	B[6](C[6,6]C[6,6]2H)(O[6]C[6,6a])(N[6]C[6]C)(F){2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(B[6]N[6]O[6]F)(H){2|C<3>,2|H<1>,3|C<4>}	F(B[6]C[6,6]N[6]O[6])	112.1380	0.000	1	112.1380	0.000	1	111.9530	0.068	2	111.9530	0.068	2	111.9530	0.068	2	112.6765	0.876	4
874	466	830	0:SP3_SP-NON_SP3	B[6]	C[6]	F	3:4:1:1:	3:4:4:1:	4:	N[6,6]-3:C[6]-4:F-1:F-1:	C[6,6a]-3:B[6]-4:C-4:H-1:	B[6]-4:	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(F)2	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]FF)(CCCH)(H)	F(B[6]N[6,6]C[6]F)	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(F)2{1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]FF)(CCCH)(H){1|H<1>,4|C<3>}	F(B[6]N[6,6]C[6]F)	113.4000	0.683	2	113.4000	0.467	2	113.4000	0.467	2	113.4000	0.467	2	113.4000	0.467	2	112.6765	0.876	4
874	466	849	6:SP3_SP3_SP3	B[6]	C[6]	P[6]	3:3:4:4:	4:3:1:1:	4:4:4:4:	C[6a]-3:C[6a]-3:C[6]-4:P[6]-4:	B[6]-4:C[6]-3:H-1:H-1:	B[6]-4:C[6]-4:C-4:C-4:	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(P[6]C[6]CC)	C[6](B[6]C[6a]2P[6])(C[6]C[6]H)(H)2	P[6](B[6]C[6a]2C[6])(C[6]C[6]HH)(CC3)2	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(P[6]C[6]CC){3|H<1>,4|F<1>,5|C<3>}	C[6](B[6]C[6a]2P[6])(C[6]C[6]H)(H)2{4|C<3>,4|C<4>}	P[6](B[6]C[6a]2C[6])(C[6]C[6]HH)(CC3)2{1|C<4>,2|H<1>,5|C<3>}	103.0780	0.000	1	103.0780	0.000	1	103.0780	0.000	1	103.0780	0.000	1	104.5241	11.468	11	104.5241	11.468	11
874	466	849	6:SP3_SP3_SP3	B[6]	C[6]	P[6]	4:3:3:4:	4:3:1:1:	4:3:3:4:	P[6]-4:C[6a]-3:C[6a]-3:C[6]-4:	B[6]-4:C[6]-3:H-1:H-1:	B[6]-4:C[6a]-3:C[6a]-3:C[6]-4:	B[6](P[6]C[6a]2C[6])(C[6a]C[6a]2)2(C[6]C[6]HH)	C[6](B[6]C[6a]2P[6])(C[6]C[6]H)(H)2	P[6](B[6]C[6a]2C[6])(C[6a]C[6a]2)2(C[6]C[6]HH)	B[6](P[6]C[6a]2C[6])(C[6a]C[6a]2)2(C[6]C[6]HH){3|H<1>,4|F<1>,9|C<3>}	C[6](B[6]C[6a]2P[6])(C[6]C[6]H)(H)2{2|C<4>,6|C<3>}	P[6](B[6]C[6a]2C[6])(C[6a]C[6a]2)2(C[6]C[6]HH){1|C<4>,6|H<1>,9|C<3>}	101.8800	0.000	1	99.4340	11.966	2	99.4340	11.966	2	99.4340	11.966	2	104.5241	11.468	11	104.5241	11.468	11
874	466	849	6:SP3_SP3_SP3	B[6]	C[6]	P[6]	4:3:3:4:	4:3:1:1:	4:3:3:4:	P[6]-4:C[6a]-3:C[6a]-3:C[6]-4:	B[6]-4:C[6]-3:H-1:H-1:	B[6]-4:C[6a]-3:C[6a]-3:C[6]-4:	B[6](P[6]C[6a]2C[6])(C[6a]C[6a]2)2(C[6]C[6]HH)	C[6](B[6]C[6a]2P[6])(C[6]C[6]H)(H)2	P[6](B[6]C[6a]2C[6])(C[6a]C[6a]2)2(C[6]C[6]HH)	B[6](P[6]C[6a]2C[6])(C[6a]C[6a]2)2(C[6]C[6]HH){3|H<1>,4|F<1>,9|C<3>}	C[6](B[6]C[6a]2P[6])(C[6]C[6]H)(H)2{2|C<4>,6|C<3>}	P[6](B[6]C[6a]2C[6])(C[6a]C[6a]2)2(C[6]C[6]HH){2|H<1>,5|C<4>,9|C<3>}	96.9880	0.000	1	99.4340	11.966	2	99.4340	11.966	2	99.4340	11.966	2	104.5241	11.468	11	104.5241	11.468	11
874	466	849	6:SP3_SP3_SP3	B[6]	C[6]	P[6]	4:3:3:4:	4:4:1:1:	4:4:3:3:	P[6]-4:C[6a]-3:C[6a]-3:C[6]-4:	B[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:B[6]-4:C[6a]-3:C[6a]-3:	B[6](P[6]C[5,6]C[6a]2)(C[6a]C[6a]2)2(C[6]C[6]HH)	C[6](B[6]C[6a]2P[6])(C[6]C[5,6]HH)(H)2	P[6](C[5,6]C[5,6]C[5]Fe)(B[6]C[6a]2C[6])(C[6a]C[6a]2)2	B[6](P[6]C[5,6]C[6a]2)(C[6a]C[6a]2)2(C[6]C[6]HH){1|Fe<10>,2|C<4>,2|H<1>,4|F<1>,8|C<3>}	C[6](B[6]C[6a]2P[6])(C[6]C[5,6]HH)(H)2{1|Fe<10>,2|C<4>,6|C<3>}	P[6](C[5,6]C[5,6]C[5]Fe)(B[6]C[6a]2C[6])(C[6a]C[6a]2)2{3|C<4>,7|H<1>,8|C<3>}	101.7040	0.000	1	101.7040	0.000	1	101.7040	0.000	1	101.7040	0.000	1	104.5241	11.468	11	104.5241	11.468	11
874	466	849	6:SP3_SP3_SP3	B[6]	C[6]	P[6]	4:3:4:4:	4:4:1:1:	4:3:3:4:	P[6]-4:C[6a]-3:C[6]-4:C-4:	B[6]-4:P[6]-4:H-1:H-1:	B[6]-4:C[6a]-3:C[6a]-3:C[6]-4:	B[6](P[6]C[6a]2C[6])(C[6a]C[6a]2)(C[6]P[6]HH)(CHHP)	C[6](B[6]C[6a]P[6]C)(P[6]C[6a]2B[6])(H)2	P[6](B[6]C[6a]C[6]C)(C[6a]C[6a]2)2(C[6]B[6]HH)	B[6](P[6]C[6a]2C[6])(C[6a]C[6a]2)(C[6]P[6]HH)(CHHP){1|B<4>,4|H<1>,8|C<3>}	C[6](B[6]C[6a]P[6]C)(P[6]C[6a]2B[6])(H)2{2|C<4>,9|C<3>}	P[6](B[6]C[6a]C[6]C)(C[6a]C[6a]2)2(C[6]B[6]HH){1|C<4>,1|P<4>,6|H<1>,7|C<3>}	105.8970	0.378	3	105.8970	0.143	3	105.8970	0.143	3	105.8970	0.143	3	104.5241	11.468	11	104.5241	11.468	11
874	466	849	6:SP3_SP3_SP3	B[6]	C[6]	P[6]	4:4:1:1:	4:4:1:1:	3:3:4:4:	P[6]-4:C[6]-4:H-1:H-1:	P[6]-4:B[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:B[6]-4:C[6]-4:	B[6](P[6]C[6a]2C[6])(C[6]P[6]HH)(H)2	C[6](P[6]C[6a]2B[6])(B[6]P[6]HH)(H)2	P[6](C[6a]C[6a]2)2(B[6]C[6]HH)(C[6]B[6]HH)	B[6](P[6]C[6a]2C[6])(C[6]P[6]HH)(H)2{1|B<4>,2|H<1>,6|C<3>}	C[6](P[6]C[6a]2B[6])(B[6]P[6]HH)(H)2{1|C<4>,2|H<1>,6|C<3>}	P[6](C[6a]C[6a]2)2(B[6]C[6]HH)(C[6]B[6]HH){1|P<4>,4|C<3>,8|H<1>}	109.3500	0.000	1	109.3500	0.000	1	109.3500	0.000	1	109.3500	0.000	1	104.5241	11.468	11	104.5241	11.468	11
874	466	849	6:SP3_SP3_SP3	B[6]	C[6]	P[6]	4:4:1:1:	4:4:4:1:	3:3:4:4:	P[6]-4:C[6]-4:H-1:H-1:	P[6]-4:B[6]-4:P-4:H-1:	C[6a]-3:C[6a]-3:B[6]-4:C[6]-4:	B[6](P[6]C[6a]2C[6])(C[6]P[6]HP)(H)2	C[6](P[6]C[6a]2B[6])(B[6]P[6]HH)(PC[6a]2S)(H)	P[6](C[6a]C[6a]2)2(B[6]C[6]HH)(C[6]B[6]HP)	B[6](P[6]C[6a]2C[6])(C[6]P[6]HP)(H)2{1|B<4>,1|H<1>,1|P<4>,6|C<3>}	C[6](P[6]C[6a]2B[6])(B[6]P[6]HH)(PC[6a]2S)(H){1|C<4>,2|H<1>,6|C<3>}	P[6](C[6a]C[6a]2)2(B[6]C[6]HH)(C[6]B[6]HP){2|P<4>,4|C<3>,7|H<1>}	106.3580	0.875	3	106.3580	0.765	3	106.3580	0.765	3	106.3580	0.765	3	104.5241	11.468	11	104.5241	11.468	11
874	466	854	0:SP3_SP3_SP3	B[3x6]	C[6,6]	N[3x6]	4:4:4:4:	4:4:1:1:	4:4:4:4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N[3x6]-4:	B[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:B[3x6]-4:	B[3x6](C[6,6]C[3x6]HH)3(N[3x6]C[6,6]3)	C[6,6](B[3x6]C[6,6]2N[3x6])(C[3x6]C[6,6]2H)(H)2	N[3x6](C[6,6]C[6,6]HH)3(B[3x6]C[6,6]3)	B[3x6](C[6,6]C[3x6]HH)3(N[3x6]C[6,6]3){6|C<4>,9|H<1>}	C[6,6](B[3x6]C[6,6]2N[3x6])(C[3x6]C[6,6]2H)(H)2{5|C<4>,8|H<1>}	N[3x6](C[6,6]C[6,6]HH)3(B[3x6]C[6,6]3){12|H<1>,4|C<4>}	110.3573	0.549	3	110.3573	0.302	3	110.3573	0.302	3	110.3573	0.302	3	110.3573	0.302	3	110.3573	0.302	3
874	466	854	6:SP3_SP3_SP3	B[6,6]	C[6]	N[6,6]	4:4:4:2:	4:3:1:1:	4:4:4:1:	N[6,6]-4:C[6]-4:C[6]-4:O-2:	B[6,6]-4:C[6]-3:H-1:H-1:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6](N[6,6]C[6]2H)(C[6]C[6]HH)2(OH)	C[6](B[6,6]N[6,6]C[6]O)(C[6]C[6]H)(H)2	N[6,6](B[6,6]C[6]2O)(C[6]C[6]HH)2(H)	B[6,6](N[6,6]C[6]2H)(C[6]C[6]HH)2(OH){2|C<3>,6|H<1>}	C[6](B[6,6]N[6,6]C[6]O)(C[6]C[6]H)(H)2{1|C<3>,2|C<4>,4|H<1>}	N[6,6](B[6,6]C[6]2O)(C[6]C[6]HH)2(H){2|C<3>,6|H<1>}	105.3372	0.280	4	105.3372	0.078	4	105.3372	0.078	4	105.3372	0.078	4	105.3372	0.078	4	107.3290	7.671	12
874	466	854	6:SP3_SP3_SP3	B[6,6]	C[6]	N[6]	4:4:2:2:	4:4:1:1:	4:4:4:1:	C[6]-4:N[6]-4:O[6]-2:O[6]-2:	B[6,6]-4:C[6]-4:H-1:H-1:	B[6,6]-4:C[6]-4:C-4:H-1:	B[6,6](C[6]C[6]HH)(N[6]C[6]CH)(O[6]C[6])2	C[6](B[6,6]N[6]O[6]2)(C[6]C[6]HH)(H)2	N[6](B[6,6]C[6]O[6]2)(C[6]C[6]HH)(CC[6a]HH)(H)	B[6,6](C[6]C[6]HH)(N[6]C[6]CH)(O[6]C[6])2{2|C<4>,8|H<1>}	C[6](B[6,6]N[6]O[6]2)(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	N[6](B[6,6]C[6]O[6]2)(C[6]C[6]HH)(CC[6a]HH)(H){3|C<4>,4|H<1>}	107.6010	0.000	1	107.6010	0.000	1	107.6010	0.000	1	107.6010	0.000	1	107.6010	0.000	1	107.3290	7.671	12
874	466	854	6:SP3_SP3_SP3	B[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[6]-4:N[6]-4:H-1:H-1:	B[6]-4:C[6]-4:H-1:H-1:	B[6]-4:C[6]-4:H-1:H-1:	B[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	C[6](B[6]N[6]HH)(C[6]C[6]HH)(H)2	N[6](B[6]C[6]HH)(C[6]C[6]HH)(H)2	B[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](B[6]N[6]HH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	N[6](B[6]C[6]HH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	107.4740	0.000	1	107.4740	0.000	1	107.4740	0.000	1	108.2715	1.272	2	108.4283	9.957	7	107.3290	7.671	12
874	466	854	6:SP3_SP3_SP3	B[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[6]-4:N[6]-4:H-1:H-1:	B[6]-4:N[6]-4:H-1:H-1:	B[6]-4:C[6]-4:H-1:H-1:	B[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	C[6](B[6]N[6]HH)(N[6]B[6]HH)(H)2	N[6](B[6]C[6]HH)(C[6]B[6]HH)(H)2	B[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|B<4>,4|H<1>}	C[6](B[6]N[6]HH)(N[6]B[6]HH)(H)2{1|C<4>,4|H<1>}	N[6](B[6]C[6]HH)(C[6]B[6]HH)(H)2{1|N<4>,4|H<1>}	109.0690	0.000	1	109.0690	0.000	1	109.0690	0.000	1	108.2715	1.272	2	108.4283	9.957	7	107.3290	7.671	12
874	466	854	6:SP3_SP3_SP3	B[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	B[6]-4:C[6]-4:H-1:H-1:	B[6]-4:C[6]-4:C-4:H-1:	B[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	C[6](B[6]N[6]HH)(C[6]C[6]HH)(H)2	N[6](B[6]C[6]HH)(C[6]C[6]HH)(CC3)(H)	B[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	C[6](B[6]N[6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	N[6](B[6]C[6]HH)(C[6]C[6]HH)(CC3)(H){1|C<4>,4|H<1>}	107.0470	0.000	1	107.0470	0.000	1	107.0470	0.000	1	107.0470	0.000	1	108.4283	9.957	7	107.3290	7.671	12
874	466	854	6:SP3_SP3_SP3	B[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	N[6]-4:C[6]-4:H-1:H-1:	N[6]-4:B[6]-4:H-1:H-1:	B[6]-4:C[6]-4:Si-4:Si-4:	B[6](N[6]C[6]Si2)(C[6]N[6]HH)(H)2	C[6](N[6]B[6]Si2)(B[6]N[6]HH)(H)2	N[6](B[6]C[6]HH)(C[6]B[6]HH)(SiC3)2	B[6](N[6]C[6]Si2)(C[6]N[6]HH)(H)2{2|Si<4>,1|B<4>,2|H<1>}	C[6](N[6]B[6]Si2)(B[6]N[6]HH)(H)2{2|Si<4>,1|C<4>,2|H<1>}	N[6](B[6]C[6]HH)(C[6]B[6]HH)(SiC3)2{1|N<4>,4|H<1>}	112.5835	0.111	2	112.5835	0.012	2	112.5835	0.012	2	112.5835	0.012	2	108.4283	9.957	7	107.3290	7.671	12
874	466	854	6:SP3_SP3_SP3	B[6]	C[6]	N[6]	4:4:2:2:	4:4:1:1:	4:4:4:1:	C[6]-4:N[6]-4:O-2:O-2:	B[6]-4:C[6]-4:H-1:H-1:	B[6]-4:C[6]-4:C-4:H-1:	B[6](C[6]C[6]HH)(N[6]C[6]CH)(OC)2	C[6](B[6]N[6]OO)(C[6]C[6]HH)(H)2	N[6](B[6]C[6]OO)(C[6]C[6]HH)(CC[6a]HH)(H)	B[6](C[6]C[6]HH)(N[6]C[6]CH)(OC)2{1|C<4>,4|H<1>}	C[6](B[6]N[6]OO)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	N[6](B[6]C[6]OO)(C[6]C[6]HH)(CC[6a]HH)(H){1|C<4>,4|H<1>}	105.1205	0.296	2	105.1205	0.088	2	105.1205	0.088	2	105.1205	0.088	2	108.4283	9.957	7	107.3290	7.671	12
874	466	856	0:SP3_SP2_SP3	B[3x6]	C[3x6]	N[6]	4:4:4:3:	4:4:4:4:	4:3:3:	C[3x6]-4:C[6,6]-4:C[6,6]-4:N[6]-3:	B[3x6]-4:C[3x6]-4:C[6]-4:C[6]-4:	B[3x6]-4:C[6]-3:C[6]-3:	B[3x6](C[3x6]C[3x6]C[6]2)(C[6,6]C[3x6]HH)2(N[6]C[6]2)	C[3x6](B[3x6]C[6,6]2N[6])(C[3x6]C[6,6]2H)(C[6]C[6]HH)2	N[6](B[3x6]C[3x6]C[6,6]2)(C[6]C[6]H)2	B[3x6](C[3x6]C[3x6]C[6]2)(C[6,6]C[3x6]HH)2(N[6]C[6]2){2|C<3>,5|C<4>,9|H<1>}	C[3x6](B[3x6]C[6,6]2N[6])(C[3x6]C[6,6]2H)(C[6]C[6]HH)2{12|H<1>,2|C<3>,3|C<4>}	N[6](B[3x6]C[3x6]C[6,6]2)(C[6]C[6]H)2{1|C<3>,5|C<4>,6|H<1>}	109.1580	0.000	1	109.1580	0.000	1	109.1580	0.000	1	109.1580	0.000	1	109.1580	0.000	1	112.1154	16.945	46
874	466	856	0:SP3_SP2_SP3	B[3x6]	C[6,6]	N[6,6]	3:4:4:2:	4:4:4:1:	4:3:3:	N[6,6]-3:C[6,6]-4:C[6,6]-4:O[6]-2:	B[3x6]-4:C[6]-4:C[6]-4:H-1:	B[3x6]-4:C[6,6]-3:C[6]-3:	B[3x6](N[6,6]C[6,6]C[6])(C[6,6]C[6]2H)2(O[6]C[6])	C[6,6](B[3x6]C[6,6]N[6,6]O[6])(C[6]C[6]HH)2(H)	N[6,6](B[3x6]C[6,6]2O[6])(C[6,6]C[6]2)(C[6]C[6]H)	B[3x6](N[6,6]C[6,6]C[6])(C[6,6]C[6]2H)2(O[6]C[6]){3|C<3>,3|C<4>,9|H<1>}	C[6,6](B[3x6]C[6,6]N[6,6]O[6])(C[6]C[6]HH)2(H){2|C<4>,3|C<3>,5|H<1>}	N[6,6](B[3x6]C[6,6]2O[6])(C[6,6]C[6]2)(C[6]C[6]H){2|C<3>,4|C<4>,5|H<1>}	113.2100	6.112	2	113.2100	37.359	2	113.2100	37.359	2	113.2100	37.359	2	110.9443	27.503	14	112.1154	16.945	46
874	466	856	0:SP3_SP2_SP3	B[3x6]	C[6,6]	N[6,6]	3:4:4:4:	4:4:4:1:	3:4:3:	N[6,6]-3:C[6]-4:C[6,6]-4:C[6,6]-4:	B[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:B[3x6]-4:C[6,6]-3:	B[3x6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]CH)(C[6,6]C[6]2H)2	C[6,6](B[3x6]C[6,6]N[6,6]C[6])(C[6]C[6]HH)2(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(B[3x6]C[6,6]2C[6])(C[6,6]C[6,6a]C[6])	B[3x6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]CH)(C[6,6]C[6]2H)2{2|C<4>,5|C<3>,8|H<1>}	C[6,6](B[3x6]C[6,6]N[6,6]C[6])(C[6]C[6]HH)2(H){3|C<3>,3|C<4>,6|H<1>}	N[6,6](C[6,6a]C[6,6a]C[6a])(B[3x6]C[6,6]2C[6])(C[6,6]C[6,6a]C[6]){1|N<3>,4|C<3>,5|C<4>,5|H<1>}	111.5470	10.520	2	111.5470	110.677	2	111.5470	110.677	2	111.5470	110.677	2	110.9443	27.503	14	112.1154	16.945	46
874	466	856	0:SP3_SP2_SP3	B[3x6]	C[6,6]	N[6,6]	3:4:4:4:	4:4:4:1:	4:3:3:	N[6,6]-3:C[6]-4:C[6,6]-4:C[6,6]-4:	B[3x6]-4:C[6]-4:C[6]-4:H-1:	B[3x6]-4:C[6,6]-3:C[6]-3:	B[3x6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(C[6,6]C[6]2H)2	C[6,6](B[3x6]C[6,6]N[6,6]C[6])(C[6]C[6]HH)2(H)	N[6,6](B[3x6]C[6,6]2C[6])(C[6,6]C[6,6a]C[6])(C[6]C[6,6]H)	B[3x6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(C[6,6]C[6]2H)2{2|C<4>,4|C<3>,9|H<1>}	C[6,6](B[3x6]C[6,6]N[6,6]C[6])(C[6]C[6]HH)2(H){3|C<3>,3|C<4>,6|H<1>}	N[6,6](B[3x6]C[6,6]2C[6])(C[6,6]C[6,6a]C[6])(C[6]C[6,6]H){1|N<3>,3|C<3>,4|H<1>,5|C<4>}	110.3380	5.247	2	110.3380	27.528	2	110.3706	21.692	10	110.3706	21.692	10	110.9443	27.503	14	112.1154	16.945	46
874	466	856	0:SP3_SP2_SP3	B[3x6]	C[6,6]	N[6,6]	3:4:4:4:	4:4:4:1:	4:3:3:	N[6,6]-3:C[6]-4:C[6,6]-4:C[6,6]-4:	B[3x6]-4:C[6]-4:C[6]-4:H-1:	B[3x6]-4:C[6,6]-3:C[6]-3:	B[3x6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(C[6,6]C[6]2H)2	C[6,6](B[3x6]C[6,6]N[6,6]C[6])(C[6]C[6]HH)2(H)	N[6,6](B[3x6]C[6,6]2C[6])(C[6,6]C[6,6a]C[6])(C[6]N[6,6]H)	B[3x6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(C[6,6]C[6]2H)2{1|N<3>,2|C<4>,3|C<3>,9|H<1>}	C[6,6](B[3x6]C[6,6]N[6,6]C[6])(C[6]C[6]HH)2(H){3|C<3>,3|C<4>,6|H<1>}	N[6,6](B[3x6]C[6,6]2C[6])(C[6,6]C[6,6a]C[6])(C[6]N[6,6]H){1|B<4>,3|C<3>,4|H<1>,5|C<4>}	110.3787	4.895	8	110.3787	23.956	8	110.3706	21.692	10	110.3706	21.692	10	110.9443	27.503	14	112.1154	16.945	46
874	466	856	0:SP3_SP2_SP3	B[3x6]	C[6,6]	N[6]	3:4:4:2:	4:4:4:1:	4:3:3:	N[6]-3:C[6,6]-4:C[6,6]-4:O[6]-2:	B[3x6]-4:C[6]-4:C[6]-4:H-1:	B[3x6]-4:C[6]-3:C[6a]-3:	B[3x6](N[6]C[6a]C[6])(C[6,6]C[6]2H)2(O[6]C[6,6a])	C[6,6](B[3x6]C[6,6]N[6]O[6])(C[6]C[6]HH)2(H)	N[6](B[3x6]C[6,6]2O[6])(C[6]C[6,6a]H)(C[6a]C[6a]2)	B[3x6](N[6]C[6a]C[6])(C[6,6]C[6]2H)2(O[6]C[6,6a]){2|C<4>,4|C<3>,9|H<1>}	C[6,6](B[3x6]C[6,6]N[6]O[6])(C[6]C[6]HH)2(H){2|C<4>,3|C<3>,5|H<1>}	N[6](B[3x6]C[6,6]2O[6])(C[6]C[6,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>,6|C<4>}	113.9310	3.113	2	113.9310	9.689	2	113.9310	9.689	2	113.9310	9.689	2	113.5097	17.250	19	112.1154	16.945	46
874	466	856	0:SP3_SP2_SP3	B[3x6]	C[6,6]	N[6]	4:3:3:3:	4:4:2:1:	4:3:3:	C[6,6]-4:C[6,6]-3:C[6,6]-3:N[6]-3:	B[3x6]-4:C[6,6]-4:C-2:H-1:	B[3x6]-4:C[6]-3:C[6]-3:	B[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)2(N[6]C[6]2)	C[6,6](B[3x6]C[6,6]2N[6])(C[6,6]C[3x6]CH)(CN)(H)	N[6](B[3x6]C[6,6]3)(C[6]C[6]H)2	B[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)2(N[6]C[6]2){1|C<2>,1|C<4>,2|C<3>,5|H<1>}	C[6,6](B[3x6]C[6,6]2N[6])(C[6,6]C[3x6]CH)(CN)(H){3|H<1>,4|C<3>}	N[6](B[3x6]C[6,6]3)(C[6]C[6]H)2{1|C<2>,1|C<4>,3|C<3>,5|H<1>}	107.0790	0.000	1	107.0790	0.000	1	107.0790	0.000	1	107.0790	0.000	1	113.5097	17.250	19	112.1154	16.945	46
874	466	856	0:SP3_SP2_SP3	B[3x6]	C[6,6]	N[6]	4:4:2:3:	4:4:4:1:	4:3:4:	C[6,6]-4:C[6,6]-4:H[6]-2:N[6]-3:	B[3x6]-4:C[6]-4:C[6]-4:H-1:	B[3x6]-4:C[6]-3:C-4:	B[3x6](C[6,6]C[6]2H)2(H[6]B[3x6])(N[6]C[6]C)	C[6,6](B[3x6]C[6,6]H[6]N[6])(C[6]C[6]HH)2(H)	N[6](B[3x6]C[6,6]2H[6])(C[6]N[6]H)(CCCH)	B[3x6](C[6,6]C[6]2H)2(H[6]B[3x6])(N[6]C[6]C){1|N<3>,2|C<4>,9|H<1>}	C[6,6](B[3x6]C[6,6]H[6]N[6])(C[6]C[6]HH)2(H){1|C<3>,3|C<4>,5|H<1>}	N[6](B[3x6]C[6,6]2H[6])(C[6]N[6]H)(CCCH){1|B<4>,2|H<1>,5|C<4>}	116.7653	4.533	4	116.7653	20.544	4	116.7653	20.544	4	116.7653	20.544	4	113.5097	17.250	19	112.1154	16.945	46
874	466	856	0:SP3_SP2_SP3	B[3x6]	C[6,6]	N[6]	4:4:3:2:	4:4:4:1:	4:3:4:	C[6,6]-4:C[6,6]-4:N[6]-3:O[6]-2:	B[3x6]-4:C[6]-4:C[6]-4:H-1:	B[3x6]-4:C[6]-3:C-4:	B[3x6](C[6,6]C[6]2H)2(N[6]C[6]C)(O[6]C[6])	C[6,6](B[3x6]C[6,6]N[6]O[6])(C[6]C[6]HH)2(H)	N[6](B[3x6]C[6,6]2O[6])(C[6]N[6]H)(CCCH)	B[3x6](C[6,6]C[6]2H)2(N[6]C[6]C)(O[6]C[6]){11|H<1>,1|N<3>,2|C<4>}	C[6,6](B[3x6]C[6,6]N[6]O[6])(C[6]C[6]HH)2(H){1|C<3>,4|C<4>,5|H<1>}	N[6](B[3x6]C[6,6]2O[6])(C[6]N[6]H)(CCCH){2|H<1>,6|C<4>}	113.8522	3.279	4	114.3871	13.625	8	114.3871	13.625	8	114.3871	13.625	8	113.5097	17.250	19	112.1154	16.945	46
874	466	856	0:SP3_SP2_SP3	B[3x6]	C[6,6]	N[6]	4:4:3:2:	4:4:4:1:	4:3:4:	C[6,6]-4:C[6,6]-4:N[6]-3:O[6]-2:	B[3x6]-4:C[6]-4:C[6]-4:H-1:	B[3x6]-4:C[6]-3:C-4:	B[3x6](C[6,6]C[6]2H)2(N[6]C[6]C)(O[6]C[6])	C[6,6](B[3x6]C[6,6]N[6]O[6])(C[6]C[6]HH)2(H)	N[6](B[3x6]C[6,6]2O[6])(C[6]N[6]H)(CCCH)	B[3x6](C[6,6]C[6]2H)2(N[6]C[6]C)(O[6]C[6]){1|N<3>,1|O<1>,2|C<4>,9|H<1>}	C[6,6](B[3x6]C[6,6]N[6]O[6])(C[6]C[6]HH)2(H){2|C<3>,3|C<4>,5|H<1>}	N[6](B[3x6]C[6,6]2O[6])(C[6]N[6]H)(CCCH){1|C<3>,2|H<1>,5|C<4>}	114.9220	4.503	4	114.3871	13.625	8	114.3871	13.625	8	114.3871	13.625	8	113.5097	17.250	19	112.1154	16.945	46
874	466	856	0:SP3_SP2_SP3	B[3x6]	C[6,6]	N[6]	4:4:4:3:	4:4:1:1:	4:3:3:	C[3x6]-4:C[6,6]-4:C[6,6]-4:N[6]-3:	B[3x6]-4:C[3x6]-4:H-1:H-1:	B[3x6]-4:C[6]-3:C[6]-3:	B[3x6](C[3x6]C[3x6]C[6]2)(C[6,6]C[3x6]HH)2(N[6]C[6]2)	C[6,6](B[3x6]C[3x6]C[6,6]N[6])(C[3x6]C[6,6]2H)(H)2	N[6](B[3x6]C[3x6]C[6,6]2)(C[6]C[6]H)2	B[3x6](C[3x6]C[3x6]C[6]2)(C[6,6]C[3x6]HH)2(N[6]C[6]2){2|C<3>,5|C<4>,9|H<1>}	C[6,6](B[3x6]C[3x6]C[6,6]N[6])(C[3x6]C[6,6]2H)(H)2{2|C<3>,4|C<4>,6|H<1>}	N[6](B[3x6]C[3x6]C[6,6]2)(C[6]C[6]H)2{1|C<3>,5|C<4>,6|H<1>}	109.6755	0.412	2	109.6755	0.170	2	109.6755	0.170	2	109.8963	0.436	4	113.5097	17.250	19	112.1154	16.945	46
874	466	856	0:SP3_SP2_SP3	B[3x6]	C[6,6]	N[6]	4:4:4:3:	4:4:1:1:	4:3:3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N[6]-3:	B[3x6]-4:C[3x6]-4:H-1:H-1:	B[3x6]-4:C[6]-3:C[6]-3:	B[3x6](C[6,6]C[3x6]HH)3(N[6]C[6]2)	C[6,6](B[3x6]C[6,6]2N[6])(C[3x6]C[6,6]2H)(H)2	N[6](B[3x6]C[6,6]3)(C[6]C[6]H)2	B[3x6](C[6,6]C[3x6]HH)3(N[6]C[6]2){2|C<3>,3|C<4>,5|H<1>}	C[6,6](B[3x6]C[6,6]2N[6])(C[3x6]C[6,6]2H)(H)2{2|C<3>,2|C<4>,8|H<1>}	N[6](B[3x6]C[6,6]3)(C[6]C[6]H)2{1|C<3>,3|C<4>,8|H<1>}	110.1170	0.972	2	110.1170	0.944	2	110.1170	0.944	2	109.8963	0.436	4	113.5097	17.250	19	112.1154	16.945	46
874	466	856	0:SP3_SP2_SP3	B[6,6]	C[6,6]	N[6]	4:4:3:1:	4:4:4:1:	4:3:3:	C[6,6]-4:C[6,6]-4:N[6]-3:H-1:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6]-4:C[6]-3:C[6]-3:	B[6,6](C[6,6]C[6]2H)2(N[6]C[6]2)(H)	C[6,6](B[6,6]C[6,6]N[6]H)(C[6]C[6]HH)2(H)	N[6](B[6,6]C[6,6]2H)(C[6]C[6]H)2	B[6,6](C[6,6]C[6]2H)2(N[6]C[6]2)(H){10|H<1>,2|C<3>,2|C<4>}	C[6,6](B[6,6]C[6,6]N[6]H)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,5|H<1>}	N[6](B[6,6]C[6,6]2H)(C[6]C[6]H)2{1|C<3>,4|C<4>,4|H<1>}	111.4240	0.638	2	111.4240	0.407	2	111.4240	0.407	2	111.4240	0.407	2	111.1590	0.883	8	112.1154	16.945	46
874	466	856	0:SP3_SP2_SP3	B[6,6]	C[6,6]	N[6]	4:4:3:4:	4:4:4:1:	4:3:3:	C[6,6]-4:C[6,6]-4:N[6]-3:C-4:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6]-4:C[6]-3:C[6]-3:	B[6,6](C[6,6]C[6]2H)2(N[6]C[6]2)(CC[6]HH)	C[6,6](B[6,6]C[6,6]N[6]C)(C[6]C[6]HH)2(H)	N[6](B[6,6]C[6,6]2C)(C[6]C[6]C)(C[6]C[6]H)	B[6,6](C[6,6]C[6]2H)2(N[6]C[6]2)(CC[6]HH){2|C<3>,3|C<4>,9|H<1>}	C[6,6](B[6,6]C[6,6]N[6]C)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,5|H<1>}	N[6](B[6,6]C[6,6]2C)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,4|C<4>,4|H<1>}	111.3828	0.481	4	111.3828	0.232	4	111.0707	1.118	6	111.0707	1.118	6	111.1590	0.883	8	112.1154	16.945	46
874	466	856	0:SP3_SP2_SP3	B[6,6]	C[6,6]	N[6]	4:4:3:4:	4:4:4:1:	4:3:3:	C[6,6]-4:C[6,6]-4:N[6]-3:C-4:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6]-4:C[6]-3:C[6]-3:	B[6,6](C[6,6]C[6]2H)2(N[6]C[6]2)(CHHI)	C[6,6](B[6,6]C[6,6]N[6]C)(C[6]C[6]HH)2(H)	N[6](B[6,6]C[6,6]2C)(C[6]C[6]H)2	B[6,6](C[6,6]C[6]2H)2(N[6]C[6]2)(CHHI){10|H<1>,2|C<3>,2|C<4>}	C[6,6](B[6,6]C[6,6]N[6]C)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,5|H<1>}	N[6](B[6,6]C[6,6]2C)(C[6]C[6]H)2{1|C<3>,4|C<4>,4|H<1>}	110.4465	1.930	2	110.4465	3.724	2	111.0707	1.118	6	111.0707	1.118	6	111.1590	0.883	8	112.1154	16.945	46
874	466	856	0:SP3_SP2_SP3	B[6]	C[6,6]	N[6]	4:2:3:1:	4:4:4:1:	4:3:4:	C[6,6]-4:O[6]-2:N[6]-3:F-1:	C[6,6]-4:C[6,6]-4:B[6]-4:H-1:	B[6]-4:C[6]-3:C-4:	B[6](C[6,6]C[6,6]2H)(O[6]C[6,6])(N[6]C[6]C)(F)	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(B[6]N[6]O[6]F)(H)	N[6](B[6]C[6,6]O[6]F)(C[6]C[6,6]H)(CC[6a]HH)	B[6](C[6,6]C[6,6]2H)(O[6]C[6,6])(N[6]C[6]C)(F){1|C<2>,1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(B[6]N[6]O[6]F)(H){2|C<3>,2|H<1>,3|C<4>}	N[6](B[6]C[6,6]O[6]F)(C[6]C[6,6]H)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	114.7530	0.000	1	114.7530	0.000	1	114.2055	0.600	2	114.2055	0.600	2	114.2055	0.600	2	112.1154	16.945	46
874	466	856	0:SP3_SP2_SP3	B[6]	C[6,6]	N[6]	4:2:3:1:	4:4:4:1:	4:3:4:	C[6,6]-4:O[6]-2:N[6]-3:F-1:	C[6,6]-4:C[6,6]-4:B[6]-4:H-1:	B[6]-4:C[6]-3:C-4:	B[6](C[6,6]C[6,6]2H)(O[6]C[6,6a])(N[6]C[6]C)(F)	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(B[6]N[6]O[6]F)(H)	N[6](B[6]C[6,6]O[6]F)(C[6]C[6,6a]H)(CC[6a]HH)	B[6](C[6,6]C[6,6]2H)(O[6]C[6,6a])(N[6]C[6]C)(F){2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(B[6]N[6]O[6]F)(H){2|C<3>,2|H<1>,3|C<4>}	N[6](B[6]C[6,6]O[6]F)(C[6]C[6,6a]H)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	113.6580	0.000	1	113.6580	0.000	1	114.2055	0.600	2	114.2055	0.600	2	114.2055	0.600	2	112.1154	16.945	46
874	466	856	0:SP3_SP2_SP3	B[6]	C[6]	N[6]	4:4:3:1:	4:4:4:1:	4:3:3:	C[6]-4:C[6]-4:N[6]-3:H-1:	B[6]-4:C[6]-4:C-4:H-1:	B[6]-4:C[6]-3:C[6]-3:	B[6](C[6]C[6]CH)2(N[6]C[6]2)(H)	C[6](B[6]C[6]N[6]H)(C[6]N[6]HH)(CCCH)(H)	N[6](B[6]C[6]2H)(C[6]C[6]H)2	B[6](C[6]C[6]CH)2(N[6]C[6]2)(H){1|N<3>,2|C<3>,6|H<1>}	C[6](B[6]C[6]N[6]H)(C[6]N[6]HH)(CCCH)(H){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	N[6](B[6]C[6]2H)(C[6]C[6]H)2{1|C<3>,4|C<4>,4|H<1>}	110.2825	0.200	2	110.2825	0.040	2	110.2825	0.040	2	110.2825	0.040	2	110.2825	0.040	2	112.1154	16.945	46
874	466	856	6:SP3_SP2_SP3	B[3x6]	C[6]	N[6,6]	3:4:4:4:	4:3:4:1:	3:4:3:	N[6,6]-3:C[6]-4:C[6,6]-4:C[6,6]-4:	B[3x6]-4:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:B[3x6]-4:C[6,6]-3:	B[3x6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]CH)(C[6,6]C[6]2H)2	C[6](B[3x6]C[6,6]2N[6,6])(C[6,6a]C[6,6a]C[6a])(CCCH)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(B[3x6]C[6,6]2C[6])(C[6,6]C[6,6a]C[6])	B[3x6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]CH)(C[6,6]C[6]2H)2{2|C<4>,5|C<3>,8|H<1>}	C[6](B[3x6]C[6,6]2N[6,6])(C[6,6a]C[6,6a]C[6a])(CCCH)(H){3|H<1>,4|C<3>,4|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(B[3x6]C[6,6]2C[6])(C[6,6]C[6,6a]C[6]){1|N<3>,4|C<3>,5|C<4>,5|H<1>}	98.8870	0.000	1	98.8870	0.000	1	98.8870	0.000	1	98.8870	0.000	1	101.7855	2.374	6	104.1118	12.724	21
874	466	856	6:SP3_SP2_SP3	B[3x6]	C[6]	N[6,6]	3:4:4:4:	4:3:4:1:	4:3:3:	N[6,6]-3:C[6]-4:C[6,6]-4:C[6,6]-4:	B[3x6]-4:C[6,6a]-3:C-4:H-1:	B[3x6]-4:C[6,6]-3:C[6]-3:	B[3x6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(C[6,6]C[6]2H)2	C[6](B[3x6]C[6,6]2N[6,6])(C[6,6a]C[6,6a]C[6a])(CCCH)(H)	N[6,6](B[3x6]C[6,6]2C[6])(C[6,6]C[6,6a]C[6])(C[6]C[6,6]H)	B[3x6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(C[6,6]C[6]2H)2{2|C<4>,4|C<3>,9|H<1>}	C[6](B[3x6]C[6,6]2N[6,6])(C[6,6a]C[6,6a]C[6a])(CCCH)(H){3|H<1>,4|C<3>,4|C<4>}	N[6,6](B[3x6]C[6,6]2C[6])(C[6,6]C[6,6a]C[6])(C[6]C[6,6]H){1|N<3>,3|C<3>,4|H<1>,5|C<4>}	101.7350	0.000	1	101.7350	0.000	1	102.3652	0.447	5	102.3652	0.447	5	101.7855	2.374	6	104.1118	12.724	21
874	466	856	6:SP3_SP2_SP3	B[3x6]	C[6]	N[6,6]	3:4:4:4:	4:3:4:1:	4:3:3:	N[6,6]-3:C[6]-4:C[6,6]-4:C[6,6]-4:	B[3x6]-4:C[6,6a]-3:C-4:H-1:	B[3x6]-4:C[6,6]-3:C[6]-3:	B[3x6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(C[6,6]C[6]2H)2	C[6](B[3x6]C[6,6]2N[6,6])(C[6,6a]C[6,6a]C[6a])(CCCH)(H)	N[6,6](B[3x6]C[6,6]2C[6])(C[6,6]C[6,6a]C[6])(C[6]N[6,6]H)	B[3x6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(C[6,6]C[6]2H)2{1|N<3>,2|C<4>,3|C<3>,9|H<1>}	C[6](B[3x6]C[6,6]2N[6,6])(C[6,6a]C[6,6a]C[6a])(CCCH)(H){3|H<1>,4|C<3>,4|C<4>}	N[6,6](B[3x6]C[6,6]2C[6])(C[6,6]C[6,6a]C[6])(C[6]N[6,6]H){1|B<4>,3|C<3>,4|H<1>,5|C<4>}	102.5228	0.656	4	102.5228	0.430	4	102.3652	0.447	5	102.3652	0.447	5	101.7855	2.374	6	104.1118	12.724	21
874	466	856	6:SP3_SP2_SP3	B[6]	C[6]	N[6,6]	3:4:1:1:	3:4:4:1:	3:4:3:	N[6,6]-3:C[6]-4:Br-1:Br-1:	C[6,6a]-3:B[6]-4:C-4:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(Br)2	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]Br2)(CCCH)(H)	N[6,6](C[6,6]C[6,6a]C[6])(B[6]C[6]Br2)(C[6]C[6]H)	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(Br)2{1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]Br2)(CCCH)(H){1|H<1>,4|C<3>}	N[6,6](C[6,6]C[6,6a]C[6])(B[6]C[6]Br2)(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	110.6340	0.000	1	110.6340	0.000	1	110.6340	0.000	1	110.1767	1.037	3	104.5291	14.289	13	104.1118	12.724	21
874	466	856	6:SP3_SP2_SP3	B[6]	C[6]	N[6,6]	3:4:1:1:	3:4:4:1:	3:4:3:	N[6,6]-3:C[6]-4:F-1:F-1:	C[6,6a]-3:B[6]-4:C-4:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(F)2	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]FF)(CCCH)(H)	N[6,6](C[6,6]C[6,6a]C[6])(B[6]C[6]FF)(C[6]C[6]H)	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(F)2{1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]FF)(CCCH)(H){1|H<1>,4|C<3>}	N[6,6](C[6,6]C[6,6a]C[6])(B[6]C[6]FF)(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	109.0100	0.000	1	109.0100	0.000	1	109.0100	0.000	1	110.1767	1.037	3	104.5291	14.289	13	104.1118	12.724	21
874	466	856	6:SP3_SP2_SP3	B[6]	C[6]	N[6,6]	3:4:1:1:	3:4:4:1:	3:4:3:	N[6,6]-3:C[6]-4:I-1:I-1:	C[6,6a]-3:B[6]-4:C-4:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(I)2	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]II)(CCCH)(H)	N[6,6](C[6,6]C[6,6a]C[6])(B[6]C[6]II)(C[6]C[6]H)	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(I)2{1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]II)(CCCH)(H){1|H<1>,4|C<3>}	N[6,6](C[6,6]C[6,6a]C[6])(B[6]C[6]II)(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	110.8860	0.000	1	110.8860	0.000	1	110.8860	0.000	1	110.1767	1.037	3	104.5291	14.289	13	104.1118	12.724	21
874	466	856	6:SP3_SP2_SP3	B[6]	C[6]	N[6,6]	3:4:3:3:	3:4:1:1:	3:4:3:	N[6,6]-3:C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:B[6]-4:H-1:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]2)2	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]C[6a]2)(H)2	N[6,6](C[6,6]C[6,6a]C[6])(B[6]C[6a]2C[6])(C[6]C[6]H)	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]2)2{1|H<1>,4|C<4>,8|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]C[6a]2)(H)2{1|H<1>,1|N<2>,7|C<3>}	N[6,6](C[6,6]C[6,6a]C[6])(B[6]C[6a]2C[6])(C[6]C[6]H){1|N<2>,4|H<1>,6|C<3>}	101.6460	0.000	1	101.4949	4.756	4	101.4949	4.756	4	101.4949	4.756	4	104.5291	14.289	13	104.1118	12.724	21
874	466	856	6:SP3_SP2_SP3	B[6]	C[6]	N[6,6]	3:4:3:3:	3:4:1:1:	3:4:3:	N[6,6]-3:C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:B[6]-4:H-1:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]2)2	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]C[6a]2)(H)2	N[6,6](C[6,6]C[6,6a]C[6])(B[6]C[6a]2C[6])(C[6]C[6]H)	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]2)2{1|H<1>,4|C<4>,8|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]C[6a]2)(H)2{1|H<1>,8|C<3>}	N[6,6](C[6,6]C[6,6a]C[6])(B[6]C[6a]2C[6])(C[6]C[6]H){4|H<1>,7|C<3>}	98.5895	0.000	1	101.4949	4.756	4	101.4949	4.756	4	101.4949	4.756	4	104.5291	14.289	13	104.1118	12.724	21
874	466	856	6:SP3_SP2_SP3	B[6]	C[6]	N[6,6]	3:4:3:3:	3:4:1:1:	3:4:3:	N[6,6]-3:C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:B[6]-4:H-1:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]2)2	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]C[6a]2)(H)2	N[6,6](C[6,6]C[6,6a]C[6])(B[6]C[6a]2C[6])(C[6]C[6]H)	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]2)2{2|F<1>,3|H<1>,8|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]C[6a]2)(H)2{1|H<1>,8|C<3>}	N[6,6](C[6,6]C[6,6a]C[6])(B[6]C[6a]2C[6])(C[6]C[6]H){4|H<1>,7|C<3>}	101.8690	0.000	1	101.4949	4.756	4	101.4949	4.756	4	101.4949	4.756	4	104.5291	14.289	13	104.1118	12.724	21
874	466	856	6:SP3_SP2_SP3	B[6]	C[6]	N[6,6]	3:4:3:3:	3:4:1:1:	3:4:3:	N[6,6]-3:C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:B[6]-4:H-1:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]2)2	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]C[6a]2)(H)2	N[6,6](C[6,6]C[6,6a]C[6])(B[6]C[6a]2C[6])(C[6]C[6]H)	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]2)2{5|H<1>,8|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]C[6a]2)(H)2{1|H<1>,8|C<3>}	N[6,6](C[6,6]C[6,6a]C[6])(B[6]C[6a]2C[6])(C[6]C[6]H){4|H<1>,7|C<3>}	103.8750	0.000	1	101.4949	4.756	4	101.4949	4.756	4	101.4949	4.756	4	104.5291	14.289	13	104.1118	12.724	21
874	466	856	6:SP3_SP2_SP3	B[6]	C[6]	N[6,6]	3:4:3:3:	3:4:4:1:	3:4:3:	N[6,6]-3:C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:B[6]-4:C-4:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]2)2	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]C[6a]2)(CCCH)(H)	N[6,6](C[6,6]C[6,6a]C[6])(B[6]C[6a]2C[6])(C[6]C[6,6]H)	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]2)2{1|H<1>,4|F<1>,8|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]C[6a]2)(CCCH)(H){1|H<1>,8|C<3>}	N[6,6](C[6,6]C[6,6a]C[6])(B[6]C[6a]2C[6])(C[6]C[6,6]H){1|C<4>,1|N<3>,2|H<1>,7|C<3>}	103.0447	2.064	4	103.0447	4.261	4	103.7282	3.753	6	103.7282	3.753	6	104.5291	14.289	13	104.1118	12.724	21
874	466	856	6:SP3_SP2_SP3	B[6]	C[6]	N[6,6]	3:4:3:3:	3:4:4:1:	3:4:3:	N[6,6]-3:C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:B[6]-4:C-4:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]2)2	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]C[6a]2)(CCCH)(H)	N[6,6](C[6,6]C[6,6a]C[6])(B[6]C[6a]2C[6])(C[6]N[6,6]H)	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]2)2{1|H<1>,1|N<3>,4|F<1>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]C[6a]2)(CCCH)(H){1|H<1>,8|C<3>}	N[6,6](C[6,6]C[6,6a]C[6])(B[6]C[6a]2C[6])(C[6]N[6,6]H){1|B<4>,1|C<4>,2|H<1>,7|C<3>}	105.0950	0.614	2	105.0950	0.377	2	103.7282	3.753	6	103.7282	3.753	6	104.5291	14.289	13	104.1118	12.724	21
874	466	856	6:SP3_SP2_SP3	B[6]	C[6]	N[6]	3:3:3:4:	4:4:1:1:	3:4:3:	N[6]-3:C[6a]-3:C[6a]-3:C[6]-4:	B[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:B[6]-4:C[6a]-3:	B[6](N[6]C[6,6]C[6a])(C[6a]C[6a]2)2(C[6]C[6]HH)	C[6](B[6]C[6a]2N[6])(C[6]P[6,6]HH)(H)2	N[6](C[6,6]P[6,6]S[6])(B[6]C[6a]2C[6])(C[6a]C[6a]2)	B[6](N[6]C[6,6]C[6a])(C[6a]C[6a]2)2(C[6]C[6]HH){1|P<4>,1|S<2>,2|H<1>,4|F<1>,6|C<3>}	C[6](B[6]C[6a]2N[6])(C[6]P[6,6]HH)(H)2{1|C<4>,7|C<3>}	N[6](C[6,6]P[6,6]S[6])(B[6]C[6a]2C[6])(C[6a]C[6a]2){1|B<4>,2|C<4>,4|H<1>,7|C<3>}	108.4280	0.000	1	108.4280	0.000	1	108.4280	0.000	1	108.4280	0.000	1	108.3780	0.005	2	104.1118	12.724	21
874	466	856	6:SP3_SP2_SP3	B[6]	C[6]	N[6]	3:3:3:4:	4:4:4:1:	4:3:2:	N[6]-3:C[6a]-3:C[6a]-3:C[6]-4:	B[6]-4:P[6]-4:C-4:H-1:	B[6]-4:C[6a]-3:N[6]-2:	B[6](N[6]C[6a]N[6])(C[6a]C[6a]2)2(C[6]P[6]CH)	C[6](B[6]C[6a]2N[6])(P[6]C[6a]2N[6])(CCHH)(H)	N[6](B[6]C[6a]2C[6])(C[6a]C[6a]2)(N[6]N[6])	B[6](N[6]C[6a]N[6])(C[6a]C[6a]2)2(C[6]P[6]CH){1|N<2>,4|F<1>,8|C<3>}	C[6](B[6]C[6a]2N[6])(P[6]C[6a]2N[6])(CCHH)(H){1|N<2>,9|C<3>}	N[6](B[6]C[6a]2C[6])(C[6a]C[6a]2)(N[6]N[6]){1|H<1>,1|P<4>,3|C<4>,6|C<3>}	108.3280	0.000	1	108.3280	0.000	1	108.3280	0.000	1	108.3280	0.000	1	108.3780	0.005	2	104.1118	12.724	21
874	466	856	6:SP3_SP3_SP3	B[6]	C[6]	N[6]	4:3:1:1:	4:4:1:1:	4:4:4:	C[6]-4:N[6]-3:H-1:H-1:	B[6]-4:C[6]-4:H-1:H-1:	B[6]-4:C[6]-4:C-4:	B[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](B[6]N[6]HH)(C[6]C[6]HH)(H)2	N[6](B[6]C[6]HH)(C[6]C[6]HH)(CC3)	B[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](B[6]N[6]HH)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	N[6](B[6]C[6]HH)(C[6]C[6]HH)(CC3){1|C<4>,4|H<1>}	109.4820	0.000	1	109.4820	0.000	1	109.4820	0.000	1	109.4820	0.000	1	109.4820	0.000	1	109.4820	0.000	1
874	466	874	6:SP3_SP3_SP3	B[6,6]	C[3x6]	B[6,6]	4:4:4:1:	3:3:4:1:	4:4:4:1:	C[3x6]-4:B[6,6]-4:N-4:Cl-1:	C[6,6,6a]-3:C[6,6,6a]-3:B[6,6]-4:H-1:	C[3x6]-4:B[6,6]-4:N-4:Cl-1:	B[6,6](C[3x6]C[6,6,6a]2H)(B[6,6]C[3x6]ClN)(NCCH)(Cl)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(B[6,6]B[6,6]ClN)(H)	B[6,6](C[3x6]C[6,6,6a]2H)(B[6,6]C[3x6]ClN)(NCCH)(Cl)	B[6,6](C[3x6]C[6,6,6a]2H)(B[6,6]C[3x6]ClN)(NCCH)(Cl){1|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(B[6,6]B[6,6]ClN)(H){1|Cl<1>,1|C<4>,1|N<4>,2|H<1>,4|C<3>}	B[6,6](C[3x6]C[6,6,6a]2H)(B[6,6]C[3x6]ClN)(NCCH)(Cl){1|H<1>,4|C<3>}	106.1615	0.323	2	106.1615	0.104	2	106.1615	0.104	2	106.1615	0.104	2	106.1615	0.104	2	106.1615	0.104	2
874	466	892	0:SP3_SP3_SP3	B[3x6]	C[6,6]	N	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-4:	B[3x6]-4:C[3x6]-4:H-1:H-1:	B[3x6]-4:C[3x6]-4:H-1:H-1:	B[3x6](C[6,6]C[3x6]HH)3(NC[3x6]HH)	C[6,6](B[3x6]C[6,6]2N)(C[3x6]C[6,6]2C)(H)2	N(B[3x6]C[6,6]3)(C[3x6]C[6,6]3)(H)2	B[3x6](C[6,6]C[3x6]HH)3(NC[3x6]HH){2|H<1>,4|C<4>}	C[6,6](B[3x6]C[6,6]2N)(C[3x6]C[6,6]2C)(H)2{2|C<4>,8|H<1>}	N(B[3x6]C[6,6]3)(C[3x6]C[6,6]3)(H)2	115.0920	0.652	2	115.0920	0.425	2	109.7920	25.622	6	109.7920	25.622	6	109.7920	25.622	6	108.2444	5.874	38
874	466	892	0:SP3_SP3_SP3	B[3x6]	C[6,6]	N	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-4:	B[3x6]-4:C[3x6]-4:H-1:H-1:	B[3x6]-4:C[3x6]-4:H-1:H-1:	B[3x6](C[6,6]C[3x6]HH)3(NC[3x6]HH)	C[6,6](B[3x6]C[6,6]2N)(C[3x6]C[6,6]2H)(H)2	N(B[3x6]C[6,6]3)(C[3x6]C[6,6]3)(H)2	B[3x6](C[6,6]C[3x6]HH)3(NC[3x6]HH){2|H<1>,4|C<4>}	C[6,6](B[3x6]C[6,6]2N)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	N(B[3x6]C[6,6]3)(C[3x6]C[6,6]3)(H)2	107.1420	3.804	4	107.1420	14.472	4	109.7920	25.622	6	109.7920	25.622	6	109.7920	25.622	6	108.2444	5.874	38
874	466	892	0:SP3_SP3_SP3	B[6,6]	C[3x6]	N	4:3:4:4:	3:3:4:1:	4:4:4:1:	C[3x6]-4:B[6,6]-3:N-4:N-4:	C[6,6,6a]-3:C[6,6,6a]-3:B[6,6]-4:H-1:	B[6,6]-4:C-4:C-4:H-1:	B[6,6](C[3x6]C[6,6,6a]2H)(B[6,6]C[3x6]N)(NCCH)2	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(B[6,6]B[6,6]NN)(H)	N(B[6,6]B[6,6]C[3x6]N)(CH3)2(H)	B[6,6](C[3x6]C[6,6,6a]2H)(B[6,6]C[3x6]N)(NCCH)2{1|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(B[6,6]B[6,6]NN)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	N(B[6,6]B[6,6]C[3x6]N)(CH3)2(H)	111.2900	0.550	2	111.2900	0.303	2	111.2900	0.303	2	111.2900	0.303	2	110.1792	2.281	4	108.2444	5.874	38
874	466	892	0:SP3_SP3_SP3	B[6,6]	C[3x6]	N	4:4:4:1:	3:3:4:1:	4:4:4:1:	C[3x6]-4:B[6,6]-4:N-4:Cl-1:	C[6,6,6a]-3:C[6,6,6a]-3:B[6,6]-4:H-1:	B[6,6]-4:C-4:C-4:H-1:	B[6,6](C[3x6]C[6,6,6a]2H)(B[6,6]C[3x6]ClN)(NCCH)(Cl)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(B[6,6]B[6,6]ClN)(H)	N(B[6,6]B[6,6]C[3x6]Cl)(CH3)2(H)	B[6,6](C[3x6]C[6,6,6a]2H)(B[6,6]C[3x6]ClN)(NCCH)(Cl){1|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(B[6,6]B[6,6]ClN)(H){1|Cl<1>,1|C<4>,1|N<4>,2|H<1>,4|C<3>}	N(B[6,6]B[6,6]C[3x6]Cl)(CH3)2(H)	109.0685	1.266	2	109.0685	1.604	2	109.0685	1.604	2	109.0685	1.604	2	110.1792	2.281	4	108.2444	5.874	38
874	466	892	0:SP3_SP3_SP3	B[6,6]	C[6,6]	N	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C-4:N-4:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6]-4:H-1:H-1:H-1:	B[6,6](C[6,6]C[6]2H)2(CCHH)(NH3)	C[6,6](B[6,6]C[6,6]CN)(C[6]C[6]HH)2(H)	N(B[6,6]C[6,6]2C)(H)3	B[6,6](C[6,6]C[6]2H)2(CCHH)(NH3){2|C<4>,8|H<1>}	C[6,6](B[6,6]C[6,6]CN)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	N(B[6,6]C[6,6]2C)(H)3	108.1413	1.613	6	108.1413	2.601	6	108.1413	2.601	6	108.1413	2.601	6	107.6364	1.581	28	108.2444	5.874	38
874	466	892	0:SP3_SP3_SP3	B[6,6]	C[6,6]	N	4:4:4:4:	4:4:4:1:	4:2:1:1:	C[6,6]-4:C[6,6]-4:C-4:N-4:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6]-4:O-2:H-1:H-1:	B[6,6](C[6,6]C[6]2H)2(CCHH)(NHHO)	C[6,6](B[6,6]C[6,6]CN)(C[6]C[6]HH)2(H)	N(B[6,6]C[6,6]2C)(OH)(H)2	B[6,6](C[6,6]C[6]2H)2(CCHH)(NHHO){2|C<4>,8|H<1>}	C[6,6](B[6,6]C[6,6]CN)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	N(B[6,6]C[6,6]2C)(OH)(H)2	107.7990	1.986	2	107.7990	3.942	2	107.7990	3.942	2	107.7990	3.942	2	107.6364	1.581	28	108.2444	5.874	38
874	466	892	0:SP3_SP3_SP3	B[6,6]	C[6,6]	N	4:4:4:4:	4:4:4:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C-4:N-4:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6]-4:N-3:H-1:H-1:	B[6,6](C[6,6]C[6]2H)2(CCHH)(NHHN)	C[6,6](B[6,6]C[6,6]CN)(C[6]C[6]HH)2(H)	N(B[6,6]C[6,6]2C)(NHH)(H)2	B[6,6](C[6,6]C[6]2H)2(CCHH)(NHHN){2|C<4>,8|H<1>}	C[6,6](B[6,6]C[6,6]CN)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	N(B[6,6]C[6,6]2C)(NHH)(H)2	108.0276	0.961	8	108.0276	0.923	8	108.0276	0.923	8	108.0276	0.923	8	107.6364	1.581	28	108.2444	5.874	38
874	466	892	0:SP3_SP3_SP3	B[6,6]	C[6,6]	N	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C-4:N-4:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6]-4:N-4:H-1:H-1:	B[6,6](C[6,6]C[6]2H)2(CCHH)(NHHN)	C[6,6](B[6,6]C[6,6]CN)(C[6]C[6]HH)2(H)	N(B[6,6]C[6,6]2C)(NB[6,6]HH)(H)2	B[6,6](C[6,6]C[6]2H)2(CCHH)(NHHN){2|C<4>,8|H<1>}	C[6,6](B[6,6]C[6,6]CN)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	N(B[6,6]C[6,6]2C)(NB[6,6]HH)(H)2	107.3632	0.863	8	107.3632	0.745	8	107.0961	1.180	12	107.0961	1.180	12	107.6364	1.581	28	108.2444	5.874	38
874	466	892	0:SP3_SP3_SP3	B[6,6]	C[6,6]	N	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C-4:N-4:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6]-4:N-4:H-1:H-1:	B[6,6](C[6,6]C[6]2H)2(CCHH)(NHHN)	C[6,6](B[6,6]C[6,6]CN)(C[6]C[6]HH)2(H)	N(B[6,6]C[6,6]2C)(NZnHH)(H)2	B[6,6](C[6,6]C[6]2H)2(CCHH)(NHHN){2|C<4>,8|H<1>}	C[6,6](B[6,6]C[6,6]CN)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	N(B[6,6]C[6,6]2C)(NZnHH)(H)2	106.5617	1.420	4	106.5617	2.017	4	107.0961	1.180	12	107.0961	1.180	12	107.6364	1.581	28	108.2444	5.874	38
874	466	893	0:SP3_SP2_SP3	B[6,6]	C[6,6]	O	4:4:2:2:	4:4:4:1:	4:3:	C[6,6]-4:C[6,6]-4:O-2:O-2:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6]-4:C-3:	B[6,6](C[6,6]C[6]2H)2(OC)2	C[6,6](B[6,6]C[6,6]OO)(C[6]C[6]HH)2(H)	O(B[6,6]C[6,6]2O)(CC[6a]O)	B[6,6](C[6,6]C[6]2H)2(OC)2{2|C<4>,8|H<1>}	C[6,6](B[6,6]C[6,6]OO)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	O(B[6,6]C[6,6]2O)(CC[6a]O)	110.3252	4.283	4	110.3252	18.345	4	110.7152	12.809	12	110.7152	12.809	12	109.9081	15.050	14	109.9081	15.050	14
874	466	893	0:SP3_SP2_SP3	B[6,6]	C[6,6]	O	4:4:2:2:	4:4:4:1:	4:3:	C[6,6]-4:C[6,6]-4:O-2:O-2:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6]-4:C-3:	B[6,6](C[6,6]C[6]2H)2(OC)2	C[6,6](B[6,6]C[6,6]OO)(C[6]C[6]HH)2(H)	O(B[6,6]C[6,6]2O)(CHO)	B[6,6](C[6,6]C[6]2H)2(OC)2{2|C<4>,8|H<1>}	C[6,6](B[6,6]C[6,6]OO)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	O(B[6,6]C[6,6]2O)(CHO)	110.9101	3.484	8	110.9101	12.136	8	110.7152	12.809	12	110.7152	12.809	12	109.9081	15.050	14	109.9081	15.050	14
874	466	893	0:SP3_SP2_SP3	B[6,6]	C[6,6]	O	4:4:4:2:	4:4:4:1:	4:3:	C[6,6]-4:C[6,6]-4:C-4:O-2:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6]-4:C-3:	B[6,6](C[6,6]C[6]2H)2(CCHH)(OC)	C[6,6](B[6,6]C[6,6]CO)(C[6]C[6]HH)2(H)	O(B[6,6]C[6,6]2C)(CReH)	B[6,6](C[6,6]C[6]2H)2(CCHH)(OC){2|C<4>,8|H<1>}	C[6,6](B[6,6]C[6,6]CO)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	O(B[6,6]C[6,6]2C)(CReH)	105.0655	0.169	2	105.0655	0.029	2	105.0655	0.029	2	105.0655	0.029	2	109.9081	15.050	14	109.9081	15.050	14
874	466	893	0:SP3_SP3_SP3	B[6,6]	C[6,6]	O	4:4:2:2:	4:4:4:1:	4:3:	C[6,6]-4:C[6,6]-4:O-2:O-2:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6]-4:N-3:	B[6,6](C[6,6]C[6]2H)2(ON)2	C[6,6](B[6,6]C[6,6]OO)(C[6]C[6]HH)2(H)	O(B[6,6]C[6,6]2O)(NNiC)	B[6,6](C[6,6]C[6]2H)2(ON)2{2|C<4>,8|H<1>}	C[6,6](B[6,6]C[6,6]OO)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	O(B[6,6]C[6,6]2O)(NNiC)	110.2769	2.296	12	110.2769	5.273	12	110.2769	5.273	12	110.2769	5.273	12	110.6830	7.161	16	110.4088	12.554	28
874	466	893	0:SP3_SP3_SP3	B[6,6]	C[6,6]	O	4:4:2:2:	4:4:4:1:	4:4:	C[6,6]-4:C[6,6]-4:O-2:O-2:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6]-4:C-4:	B[6,6](C[6,6]C[6]2H)2(OC)2	C[6,6](B[6,6]C[6,6]OO)(C[6]C[6]HH)2(H)	O(B[6,6]C[6,6]2O)(CHHP)	B[6,6](C[6,6]C[6]2H)2(OC)2{2|C<4>,8|H<1>}	C[6,6](B[6,6]C[6,6]OO)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	O(B[6,6]C[6,6]2O)(CHHP)	111.9013	3.719	4	111.9013	13.834	4	111.9013	13.834	4	111.9013	13.834	4	110.6830	7.161	16	110.4088	12.554	28
874	466	893	0:SP3_SP3_SP3	B[6,6]	C[6]	O	4:4:4:2:	4:3:1:1:	4:1:	N[6,6]-4:C[6]-4:C[6]-4:O-2:	B[6,6]-4:C[6]-3:H-1:H-1:	B[6,6]-4:H-1:	B[6,6](N[6,6]C[6]2H)(C[6]C[6]HH)2(OH)	C[6](B[6,6]N[6,6]C[6]O)(C[6]C[6]H)(H)2	O(B[6,6]N[6,6]C[6]2)(H)	B[6,6](N[6,6]C[6]2H)(C[6]C[6]HH)2(OH){2|C<3>,6|H<1>}	C[6](B[6,6]N[6,6]C[6]O)(C[6]C[6]H)(H)2{1|C<3>,2|C<4>,4|H<1>}	O(B[6,6]N[6,6]C[6]2)(H)	111.5870	2.655	4	111.5870	7.049	4	111.5870	7.049	4	111.5870	7.049	4	111.5870	7.049	4	110.4088	12.554	28
874	466	893	0:SP3_SP3_SP3	B[6]	C[6]	O	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:N[6]-4:O-2:O-2:	B[6]-4:C[6]-4:H-1:H-1:	B[6]-4:C-4:	B[6](C[6]C[6]HH)(N[6]C[6]CH)(OC)2	C[6](B[6]N[6]OO)(C[6]C[6]HH)(H)2	O(B[6]C[6]N[6]O)(CCHH)	B[6](C[6]C[6]HH)(N[6]C[6]CH)(OC)2{1|C<4>,4|H<1>}	C[6](B[6]N[6]OO)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	O(B[6]C[6]N[6]O)(CCHH)	113.4515	3.252	4	113.4515	10.576	4	113.4515	10.576	4	113.4515	10.576	4	109.2714	27.613	8	110.4088	12.554	28
874	466	893	0:SP3_SP3_SP3	B[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:B[6]-4:H-1:H-1:	B[6]-4:S-3:	B[6](C[6]C[6,6]HH)2(CCHH)(OS)	C[6](C[6,6]C[6,6]C[6]H)(B[6]C[6]CO)(H)2	O(B[6]C[6]2C)(SCC)	B[6](C[6]C[6,6]HH)2(CCHH)(OS){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(B[6]C[6]CO)(H)2{2|C<4>,6|H<1>}	O(B[6]C[6]2C)(SCC)	105.0913	2.694	4	105.0913	7.259	4	105.0913	7.259	4	105.0913	7.259	4	109.2714	27.613	8	110.4088	12.554	28
874	466	916	0:SP3_SP3_SP3	B[3x6]	C[6,6]	O[5]	4:4:4:3:	4:4:1:1:	4:4:4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O[5]-3:	B[3x6]-4:C[3x6]-4:H-1:H-1:	B[3x6]-4:C[5]-4:C[5]-4:	B[3x6](C[6,6]C[3x6]HH)3(O[5]C[5]2)	C[6,6](B[3x6]C[6,6]2O[5])(C[3x6]C[6,6]2H)(H)2	O[5](B[3x6]C[6,6]3)(C[5]C[5]HH)2	B[3x6](C[6,6]C[3x6]HH)3(O[5]C[5]2){5|C<4>,7|H<1>}	C[6,6](B[3x6]C[6,6]2O[5])(C[3x6]C[6,6]2H)(H)2{4|C<4>,8|H<1>}	O[5](B[3x6]C[6,6]3)(C[5]C[5]HH)2{10|H<1>,3|C<4>}	108.5403	1.751	6	108.5403	3.065	6	108.5403	3.065	6	108.5403	3.065	6	108.5403	3.065	6	108.5403	3.065	6
874	466	922	0:SP3_SP3_SP3	B[3x6]	C[6,6]	S[6]	4:4:3:3:	4:4:4:1:	4:4:4:	C[6,6]-4:C[6,6]-4:S[6]-3:S[6]-3:	B[3x6]-4:C[6]-4:C[6]-4:H-1:	B[3x6]-4:C[6]-4:C-4:	B[3x6](C[6,6]C[6]2H)2(S[6]C[6]C)2	C[6,6](B[3x6]C[6,6]S[6]2)(C[6]C[6]HH)2(H)	S[6](B[3x6]C[6,6]2S[6])(C[6]B[3x6]HH)(CH3)	B[3x6](C[6,6]C[6]2H)2(S[6]C[6]C)2{12|H<1>,1|B<4>,2|C<4>}	C[6,6](B[3x6]C[6,6]S[6]2)(C[6]C[6]HH)2(H){5|H<1>,6|C<4>}	S[6](B[3x6]C[6,6]2S[6])(C[6]B[3x6]HH)(CH3){2|H<1>,8|C<4>}	109.3360	2.160	2	109.3360	4.663	2	109.3360	4.663	2	109.3360	4.663	2	109.0973	1.793	4	109.0973	1.793	4
874	466	922	0:SP3_SP3_SP3	B[3x6]	C[6,6]	S[6]	4:4:4:3:	4:4:4:1:	4:4:4:	C[6,6]-4:C[6,6]-4:C[6]-4:S[6]-3:	B[3x6]-4:C[6]-4:C[6]-4:H-1:	B[3x6]-4:C[6]-4:C-4:	B[3x6](C[6,6]C[6]2H)2(C[6]S[6]HH)(S[6]C[6]C)	C[6,6](B[3x6]C[6,6]C[6]S[6])(C[6]C[6]HH)2(H)	S[6](B[3x6]C[6,6]2C[6])(C[6]B[3x6]HH)(CH3)	B[3x6](C[6,6]C[6]2H)2(C[6]S[6]HH)(S[6]C[6]C){10|H<1>,1|B<4>,3|C<4>}	C[6,6](B[3x6]C[6,6]C[6]S[6])(C[6]C[6]HH)2(H){1|S<3>,4|C<4>,7|H<1>}	S[6](B[3x6]C[6,6]2C[6])(C[6]B[3x6]HH)(CH3){1|S<3>,4|H<1>,6|C<4>}	108.8585	0.698	2	108.8585	0.487	2	108.8585	0.487	2	108.8585	0.487	2	109.0973	1.793	4	109.0973	1.793	4
874	466	922	6:SP3_SP3_SP3	B[3x6]	C[6]	S[6]	4:4:4:3:	4:3:1:1:	4:4:4:	C[6,6]-4:C[6,6]-4:C[6]-4:S[6]-3:	B[3x6]-4:S[6]-3:H-1:H-1:	B[3x6]-4:C[6]-4:C-4:	B[3x6](C[6,6]C[6]2H)2(C[6]S[6]HH)(S[6]C[6]C)	C[6](B[3x6]C[6,6]2S[6])(S[6]B[3x6]C)(H)2	S[6](B[3x6]C[6,6]2C[6])(C[6]B[3x6]HH)(CH3)	B[3x6](C[6,6]C[6]2H)2(C[6]S[6]HH)(S[6]C[6]C){10|H<1>,1|B<4>,3|C<4>}	C[6](B[3x6]C[6,6]2S[6])(S[6]B[3x6]C)(H)2{2|H<1>,8|C<4>}	S[6](B[3x6]C[6,6]2C[6])(C[6]B[3x6]HH)(CH3){1|S<3>,4|H<1>,6|C<4>}	103.4760	0.000	1	103.4760	0.000	1	103.4760	0.000	1	103.4760	0.000	1	103.4760	0.000	1	104.6187	1.282	3
874	466	922	6:SP3_SP3_SP3	B[6]	C[6]	S[6]	3:3:3:4:	4:3:1:1:	4:3:4:	S[6]-3:C[6a]-3:C[6a]-3:C[6]-4:	B[6]-4:S[6]-3:H-1:H-1:	B[6]-4:C[6a]-3:C[6]-4:	B[6](S[6]C[6a]C[6])(C[6a]C[6a]2)2(C[6]S[6]HH)	C[6](B[6]C[6a]2S[6])(S[6]C[6a]B[6])(H)2	S[6](B[6]C[6a]2C[6])(C[6a]C[6a]2)(C[6]B[6]HH)	B[6](S[6]C[6a]C[6])(C[6a]C[6a]2)2(C[6]S[6]HH){1|B<4>,2|H<1>,4|F<1>,7|C<3>}	C[6](B[6]C[6a]2S[6])(S[6]C[6a]B[6])(H)2{1|C<4>,9|C<3>}	S[6](B[6]C[6a]2C[6])(C[6a]C[6a]2)(C[6]B[6]HH){1|S<3>,4|H<1>,8|C<3>}	105.1900	0.778	2	105.1900	0.605	2	105.1900	0.605	2	105.1900	0.605	2	105.1900	0.605	2	104.6187	1.282	3
874	466	924	0:SP3_SP-NON_SP3	B[6]	C[6]	Br	3:4:1:1:	3:4:4:1:	4:	N[6,6]-3:C[6]-4:Br-1:Br-1:	C[6,6a]-3:B[6]-4:C-4:H-1:	B[6]-4:	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(Br)2	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]Br2)(CCCH)(H)	Br(B[6]N[6,6]C[6]Br)	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(Br)2{1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]Br2)(CCCH)(H){1|H<1>,4|C<3>}	Br(B[6]N[6,6]C[6]Br)	111.6000	1.799	2	111.6000	3.236	2	111.6000	3.236	2	111.6000	3.236	2	111.6000	3.236	2	111.6000	3.236	2
874	466	941	0:SP3_SP2_SP3	B[6,6]	C[6,6]	N	4:4:4:2:	4:4:4:1:	4:2:	C[6,6]-4:C[6,6]-4:C-4:N-2:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6]-4:C-2:	B[6,6](C[6,6]C[6]2H)2(CHHS)(NC)	C[6,6](B[6,6]C[6,6]CN)(C[6]C[6]HH)2(H)	N(B[6,6]C[6,6]2C)(CC)	B[6,6](C[6,6]C[6]2H)2(CHHS)(NC){2|C<4>,8|H<1>}	C[6,6](B[6,6]C[6,6]CN)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	N(B[6,6]C[6,6]2C)(CC)	108.0588	1.211	6	108.0588	1.467	6	108.0588	1.467	6	108.0588	1.467	6	108.0588	1.467	6	108.0588	1.467	6
874	466	944	0:SP3_SP-NON_SP3	B[6,6]	C[6,6]	I	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[5]-3:I-1:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6]-4:	B[6,6](C[6,6]C[6]2H)2(C[5]N[5]2)(I)	C[6,6](B[6,6]C[6,6]C[5]I)(C[6]C[6]HH)2(H)	I(B[6,6]C[6,6]2C[5])	B[6,6](C[6,6]C[6]2H)2(C[5]N[5]2)(I){1|B<3>,2|C<3>,3|C<4>,8|H<1>}	C[6,6](B[6,6]C[6,6]C[5]I)(C[6]C[6]HH)2(H){2|C<4>,2|N<3>,5|H<1>}	I(B[6,6]C[6,6]2C[5])	109.7255	4.778	2	109.7255	22.829	2	109.7255	22.829	2	109.7255	22.829	2	109.7255	22.829	2	110.3332	8.129	4
874	466	944	0:SP3_SP-NON_SP3	B[6]	C[6]	I	3:4:1:1:	3:4:4:1:	4:	N[6,6]-3:C[6]-4:I-1:I-1:	C[6,6a]-3:B[6]-4:C-4:H-1:	B[6]-4:	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(I)2	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]II)(CCCH)(H)	I(B[6]N[6,6]C[6]I)	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(I)2{1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]II)(CCCH)(H){1|H<1>,4|C<3>}	I(B[6]N[6,6]C[6]I)	110.9410	0.283	2	110.9410	0.080	2	110.9410	0.080	2	110.9410	0.080	2	110.9410	0.080	2	110.3332	8.129	4
874	466	948	0:SP3_SP-NON_SP3	B[3x6]	C[6,6]	H[6]	4:4:2:3:	4:4:4:1:	4:4:	C[6,6]-4:C[6,6]-4:H[6]-2:N[6]-3:	B[3x6]-4:C[6]-4:C[6]-4:H-1:	B[3x6]-4:B[3x6]-4:	B[3x6](C[6,6]C[6]2H)2(H[6]B[3x6])(N[6]C[6]C)	C[6,6](B[3x6]C[6,6]H[6]N[6])(C[6]C[6]HH)2(H)	H[6](B[3x6]C[6,6]2N[6])2	B[3x6](C[6,6]C[6]2H)2(H[6]B[3x6])(N[6]C[6]C){1|N<3>,2|C<4>,9|H<1>}	C[6,6](B[3x6]C[6,6]H[6]N[6])(C[6]C[6]HH)2(H){1|C<3>,3|C<4>,5|H<1>}	H[6](B[3x6]C[6,6]2N[6])2	105.7320	1.662	4	105.7320	2.762	4	105.7320	2.762	4	105.7320	2.762	4	105.7320	2.762	4	105.7320	2.762	4
874	466	951	0:SP3_SP-NON_SP3	B[6,6]	C[6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6]-4:	B[6,6](C[6,6]C[6]2H)2(H)2	C[6,6](B[6,6]C[6,6]HH)(C[6]C[6]HH)2(H)	H(B[6,6]C[6,6]2H)	B[6,6](C[6,6]C[6]2H)2(H)2{2|C<4>,8|H<1>}	C[6,6](B[6,6]C[6,6]HH)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	H(B[6,6]C[6,6]2H)	110.7595	1.212	4	110.7595	1.469	4	110.7595	1.469	4	110.7595	1.469	4	109.3507	5.638	39	110.2255	7.329	62
874	466	951	0:SP3_SP-NON_SP3	B[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[5]-3:H-1:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6]-4:	B[6,6](C[6,6]C[6]2H)2(C[5]C[5]N[5])(H)	C[6,6](B[6,6]C[6,6]C[5]H)(C[6]C[6]HH)2(H)	H(B[6,6]C[6,6]2C[5])	B[6,6](C[6,6]C[6]2H)2(C[5]C[5]N[5])(H){1|N<3>,2|C<4>,3|C<3>,8|H<1>}	C[6,6](B[6,6]C[6,6]C[5]H)(C[6]C[6]HH)2(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	H(B[6,6]C[6,6]2C[5])	108.2035	0.005	2	108.2035	0.000	2	108.4135	2.920	26	108.6010	4.519	29	109.3507	5.638	39	110.2255	7.329	62
874	466	951	0:SP3_SP-NON_SP3	B[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[5]-3:H-1:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6]-4:	B[6,6](C[6,6]C[6]2H)2(C[5]N[5,5]2)(H)	C[6,6](B[6,6]C[6,6]C[5]H)(C[6]C[6]HH)2(H)	H(B[6,6]C[6,6]2C[5])	B[6,6](C[6,6]C[6]2H)2(C[5]N[5,5]2)(H){2|C<3>,4|C<4>,8|H<1>}	C[6,6](B[6,6]C[6,6]C[5]H)(C[6]C[6]HH)2(H){2|C<4>,2|N<3>,5|H<1>}	H(B[6,6]C[6,6]2C[5])	107.4955	0.682	4	107.4955	0.466	4	108.4135	2.920	26	108.6010	4.519	29	109.3507	5.638	39	110.2255	7.329	62
874	466	951	0:SP3_SP-NON_SP3	B[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[5]-3:H-1:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6]-4:	B[6,6](C[6,6]C[6]2H)2(C[5]N[5]2)(H)	C[6,6](B[6,6]C[6,6]C[5]H)(C[6]C[6]HH)2(H)	H(B[6,6]C[6,6]2C[5])	B[6,6](C[6,6]C[6]2H)2(C[5]N[5]2)(H){2|C<3>,4|C<4>,8|H<1>}	C[6,6](B[6,6]C[6,6]C[5]H)(C[6]C[6]HH)2(H){2|C<4>,2|N<3>,5|H<1>}	H(B[6,6]C[6,6]2C[5])	108.8149	1.752	16	108.6181	3.543	20	108.4135	2.920	26	108.6010	4.519	29	109.3507	5.638	39	110.2255	7.329	62
874	466	951	0:SP3_SP-NON_SP3	B[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[5]-3:H-1:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6]-4:	B[6,6](C[6,6]C[6]2H)2(C[5]N[5]2)(H)	C[6,6](B[6,6]C[6,6]C[5]H)(C[6]C[6]HH)2(H)	H(B[6,6]C[6,6]2C[5])	B[6,6](C[6,6]C[6]2H)2(C[5]N[5]2)(H){2|C<4>,4|C<3>,8|H<1>}	C[6,6](B[6,6]C[6,6]C[5]H)(C[6]C[6]HH)2(H){2|C<4>,2|N<3>,5|H<1>}	H(B[6,6]C[6,6]2C[5])	109.6720	2.150	2	108.6181	3.543	20	108.4135	2.920	26	108.6010	4.519	29	109.3507	5.638	39	110.2255	7.329	62
874	466	951	0:SP3_SP-NON_SP3	B[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[5]-3:H-1:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6]-4:	B[6,6](C[6,6]C[6]2H)2(C[5]N[5]2)(H)	C[6,6](B[6,6]C[6,6]C[5]H)(C[6]C[6]HH)2(H)	H(B[6,6]C[6,6]2C[5])	B[6,6](C[6,6]C[6]2H)2(C[5]N[5]2)(H){3|C<3>,3|C<4>,8|H<1>}	C[6,6](B[6,6]C[6,6]C[5]H)(C[6]C[6]HH)2(H){2|C<4>,2|N<3>,5|H<1>}	H(B[6,6]C[6,6]2C[5])	105.9905	0.012	2	108.6181	3.543	20	108.4135	2.920	26	108.6010	4.519	29	109.3507	5.638	39	110.2255	7.329	62
874	466	951	0:SP3_SP-NON_SP3	B[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6]-4:	B[6,6](C[6,6]C[6]2H)2(C[6]N[6]2)(H)	C[6,6](B[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(H)	H(B[6,6]C[6,6]2C[6])	B[6,6](C[6,6]C[6]2H)2(C[6]N[6]2)(H){6|C<4>,8|H<1>}	C[6,6](B[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(H){2|C<4>,2|N<3>,5|H<1>}	H(B[6,6]C[6,6]2C[6])	104.7740	0.000	1	104.7740	0.000	1	104.7740	0.000	1	108.6010	4.519	29	109.3507	5.638	39	110.2255	7.329	62
874	466	951	0:SP3_SP-NON_SP3	B[6,6]	C[6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:N[6]-3:H-1:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6]-4:	B[6,6](C[6,6]C[6]2H)2(N[6]C[6]2)(H)	C[6,6](B[6,6]C[6,6]N[6]H)(C[6]C[6]HH)2(H)	H(B[6,6]C[6,6]2N[6])	B[6,6](C[6,6]C[6]2H)2(N[6]C[6]2)(H){10|H<1>,2|C<3>,2|C<4>}	C[6,6](B[6,6]C[6,6]N[6]H)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,5|H<1>}	H(B[6,6]C[6,6]2N[6])	112.9510	0.368	2	112.9510	0.135	2	112.9510	0.135	2	108.6010	4.519	29	109.3507	5.638	39	110.2255	7.329	62
874	466	951	0:SP3_SP-NON_SP3	B[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:N[5]-4:H-1:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6]-4:	B[6,6](C[6,6]C[6]2H)2(N[5]C[5]2Fe)(H)	C[6,6](B[6,6]C[6,6]N[5]H)(C[6]C[6]HH)2(H)	H(B[6,6]C[6,6]2N[5])	B[6,6](C[6,6]C[6]2H)2(N[5]C[5]2Fe)(H){10|H<1>,4|C<4>}	C[6,6](B[6,6]C[6,6]N[5]H)(C[6]C[6]HH)2(H){1|Fe<10>,4|C<4>,5|H<1>}	H(B[6,6]C[6,6]2N[5])	111.5615	1.733	4	111.5615	3.003	4	111.5615	3.003	4	112.0352	3.160	6	109.3507	5.638	39	110.2255	7.329	62
874	466	951	0:SP3_SP-NON_SP3	B[6,6]	C[6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:P-4:H-1:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6]-4:	B[6,6](C[6,6]C[6]2H)2(PC3)(H)	C[6,6](B[6,6]C[6,6]HP)(C[6]C[6]HH)2(H)	H(B[6,6]C[6,6]2P)	B[6,6](C[6,6]C[6]2H)2(PC3)(H){2|C<4>,8|H<1>}	C[6,6](B[6,6]C[6,6]HP)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	H(B[6,6]C[6,6]2P)	112.9825	2.024	2	112.9825	4.098	2	112.9825	4.098	2	112.0352	3.160	6	109.3507	5.638	39	110.2255	7.329	62
874	466	951	0:SP3_SP-NON_SP3	B[6]	C[6]	H	3:4:3:1:	3:4:4:4:	4:	C[5,6]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:B[6]-4:C-4:C-4:	B[6]-4:	B[6](C[5,6]N[5,6]N[5])(C[6]C[6,6a]CC)(NCC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(B[6]C[5,6]HN)(CH3)2	H(B[6]C[5,6]C[6]N)	B[6](C[5,6]N[5,6]N[5])(C[6]C[6,6a]CC)(NCC)(H){5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(B[6]C[5,6]HN)(CH3)2{1|H<1>,2|C<3>,2|N<3>}	H(B[6]C[5,6]C[6]N)	106.4210	0.000	1	106.4210	0.000	1	106.4210	0.000	1	106.4210	0.000	1	111.7090	6.926	23	110.2255	7.329	62
874	466	951	0:SP3_SP-NON_SP3	B[6]	C[6]	H	4:3:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	B[6]-4:C[6]-4:H-1:H-1:	B[6]-4:	B[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](B[6]N[6]HH)(C[6]C[6]HH)(H)2	H(B[6]C[6]N[6]H)	B[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](B[6]N[6]HH)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	H(B[6]C[6]N[6]H)	108.8330	3.842	2	108.8330	14.764	2	108.8330	14.764	2	108.8330	14.764	2	111.7090	6.926	23	110.2255	7.329	62
874	466	951	0:SP3_SP-NON_SP3	B[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	B[6]-4:C[6]-4:H-1:H-1:	B[6]-4:	B[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	C[6](B[6]N[6]HH)(C[6]C[6]HH)(H)2	H(B[6]C[6]N[6]H)	B[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	C[6](B[6]N[6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(B[6]C[6]N[6]H)	112.5175	1.105	2	112.5175	1.221	2	113.1508	2.612	4	111.9813	4.631	12	111.7090	6.926	23	110.2255	7.329	62
874	466	951	0:SP3_SP-NON_SP3	B[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	B[6]-4:C[6]-4:H-1:H-1:	B[6]-4:	B[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	C[6](B[6]N[6]HH)(C[6]C[6]HH)(H)2	H(B[6]C[6]N[6]H)	B[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](B[6]N[6]HH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(B[6]C[6]N[6]H)	113.7840	2.239	2	113.7840	5.012	2	113.1508	2.612	4	111.9813	4.631	12	111.7090	6.926	23	110.2255	7.329	62
874	466	951	0:SP3_SP-NON_SP3	B[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:N[6]-4:H-1:H-1:	B[6]-4:N[6]-4:H-1:H-1:	B[6]-4:	B[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	C[6](B[6]N[6]HH)(N[6]B[6]HH)(H)2	H(B[6]C[6]N[6]H)	B[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|B<4>,4|H<1>}	C[6](B[6]N[6]HH)(N[6]B[6]HH)(H)2{1|C<4>,4|H<1>}	H(B[6]C[6]N[6]H)	111.3720	0.184	2	111.3720	0.034	2	111.3720	0.034	2	111.9813	4.631	12	111.7090	6.926	23	110.2255	7.329	62
874	466	951	0:SP3_SP-NON_SP3	B[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C[6]-4:H-1:H-1:	N[6]-4:B[6]-4:H-1:H-1:	B[6]-4:	B[6](N[6]C[6]Si2)(C[6]N[6]HH)(H)2	C[6](N[6]B[6]Si2)(B[6]N[6]HH)(H)2	H(B[6]C[6]N[6]H)	B[6](N[6]C[6]Si2)(C[6]N[6]HH)(H)2{2|Si<4>,1|B<4>,2|H<1>}	C[6](N[6]B[6]Si2)(B[6]N[6]HH)(H)2{2|Si<4>,1|C<4>,2|H<1>}	H(B[6]C[6]N[6]H)	110.4993	2.880	4	110.4993	8.295	4	110.4993	8.295	4	111.9813	4.631	12	111.7090	6.926	23	110.2255	7.329	62
874	466	951	0:SP3_SP-NON_SP3	B[6]	C[6]	H	4:4:1:1:	4:4:1:1:	4:	P[6]-4:C[6]-4:H-1:H-1:	P[6]-4:B[6]-4:H-1:H-1:	B[6]-4:	B[6](P[6]C[6a]2C[6])(C[6]P[6]HH)(H)2	C[6](P[6]C[6a]2B[6])(B[6]P[6]HH)(H)2	H(B[6]C[6]P[6]H)	B[6](P[6]C[6a]2C[6])(C[6]P[6]HH)(H)2{1|B<4>,2|H<1>,6|C<3>}	C[6](P[6]C[6a]2B[6])(B[6]P[6]HH)(H)2{1|C<4>,2|H<1>,6|C<3>}	H(B[6]C[6]P[6]H)	113.2160	0.369	2	113.2160	0.136	2	113.2160	0.136	2	111.9813	4.631	12	111.7090	6.926	23	110.2255	7.329	62
874	466	951	0:SP3_SP-NON_SP3	B[6]	C[6]	H	4:4:1:1:	4:4:4:1:	4:	P[6]-4:C[6]-4:H-1:H-1:	P[6]-4:B[6]-4:P-4:H-1:	B[6]-4:	B[6](P[6]C[6a]2C[6])(C[6]P[6]HP)(H)2	C[6](P[6]C[6a]2B[6])(B[6]P[6]HH)(PC[6a]2S)(H)	H(B[6]C[6]P[6]H)	B[6](P[6]C[6a]2C[6])(C[6]P[6]HP)(H)2{1|B<4>,1|H<1>,1|P<4>,6|C<3>}	C[6](P[6]C[6a]2B[6])(B[6]P[6]HH)(PC[6a]2S)(H){1|C<4>,2|H<1>,6|C<3>}	H(B[6]C[6]P[6]H)	113.4963	1.821	6	113.4963	3.316	6	113.4963	3.316	6	113.4963	3.316	6	111.7090	6.926	23	110.2255	7.329	62
874	466	951	0:SP3_SP-NON_SP3	B[6]	C[6]	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N[6]-3:H-1:	B[6]-4:C[6]-4:C-4:H-1:	B[6]-4:	B[6](C[6]C[6]CH)2(N[6]C[6]2)(H)	C[6](B[6]C[6]N[6]H)(C[6]N[6]HH)(CCCH)(H)	H(B[6]C[6]2N[6])	B[6](C[6]C[6]CH)2(N[6]C[6]2)(H){1|N<3>,2|C<3>,6|H<1>}	C[6](B[6]C[6]N[6]H)(C[6]N[6]HH)(CCCH)(H){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	H(B[6]C[6]2N[6])	110.2330	1.086	2	110.2330	1.180	2	110.2330	1.180	2	110.2330	1.180	2	111.7090	6.926	23	110.2255	7.329	62
874	466	956	0:SP3_SP2_SP3	B[6]	C[6]	N	3:4:3:1:	3:4:4:4:	4:4:4:	C[5,6]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:B[6]-4:C-4:C-4:	B[6]-4:C-4:C-4:	B[6](C[5,6]N[5,6]N[5])(C[6]C[6,6a]CC)(NCC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(B[6]C[5,6]HN)(CH3)2	N(B[6]C[5,6]C[6]H)(CCCH)2	B[6](C[5,6]N[5,6]N[5])(C[6]C[6,6a]CC)(NCC)(H){5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(B[6]C[5,6]HN)(CH3)2{1|H<1>,2|C<3>,2|N<3>}	N(B[6]C[5,6]C[6]H)(CCCH)2	116.9950	0.000	1	116.9950	0.000	1	116.9950	0.000	1	116.9950	0.000	1	116.9950	0.000	1	116.9950	0.000	1
874	466	983	0:SP3_SP1_SP3	B[6,6]	C[6,6]	C	4:4:3:2:	4:4:4:1:	4:2:	C[6,6]-4:C[6,6]-4:C[6a]-3:C-2:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6]-4:N-2:	B[6,6](C[6,6]C[6]2H)2(C[6a]C[6a]2)(CN)	C[6,6](B[6,6]C[6,6]C[6a]C)(C[6]C[6]HH)2(H)	C(B[6,6]C[6,6]2C[6a])(NC)	B[6,6](C[6,6]C[6]2H)2(C[6a]C[6a]2)(CN){2|C<3>,2|C<4>,2|F<1>,8|H<1>}	C[6,6](B[6,6]C[6,6]C[6a]C)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,5|H<1>}	C(B[6,6]C[6,6]2C[6a])(NC)	107.5305	1.671	2	107.5305	2.792	2	107.5305	2.792	2	107.5305	2.792	2	107.5305	2.792	2	107.5305	2.792	2
874	466	992	0:SP3_SP3_SP3	B[6,6]	C[6,6]	P	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[6,6]-4:P-4:H-1:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	B[6,6]-4:C-4:C-4:C-4:	B[6,6](C[6,6]C[6]2H)2(PC3)(H)	C[6,6](B[6,6]C[6,6]HP)(C[6]C[6]HH)2(H)	P(B[6,6]C[6,6]2H)(CH3)3	B[6,6](C[6,6]C[6]2H)2(PC3)(H){2|C<4>,8|H<1>}	C[6,6](B[6,6]C[6,6]HP)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	P(B[6,6]C[6,6]2H)(CH3)3	114.1480	1.298	2	114.1480	1.685	2	114.1480	1.685	2	114.1480	1.685	2	114.1480	1.685	2	114.1480	1.685	2
874	474	622	6:SP3_SP3_SP3	B[6]	C[5,6,6]	O[6]	4:3:3:2:	4:4:4:1:	4:4:	C[5,6,6]-4:C[6a]-3:C[6a]-3:O[6]-2:	C[5,5,6]-4:C[5,6,6]-4:B[6]-4:H-1:	B[6]-4:C[6]-4:	B[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6a]C[6a]2)2(O[6]C[6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]P[6]H)(B[6]C[6a]2O[6])(H)	O[6](B[6]C[5,6,6]C[6a]2)(C[6]C[6a]P[6]H)	B[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6a]C[6a]2)2(O[6]C[6]){1|P<4>,3|C<4>,3|H<1>,4|F<1>,5|C<3>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]P[6]H)(B[6]C[6a]2O[6])(H){2|C<4>,5|H<1>,6|C<3>}	O[6](B[6]C[5,6,6]C[6a]2)(C[6]C[6a]P[6]H){1|H<1>,2|C<4>,8|C<3>}	106.8040	0.000	1	106.8040	0.000	1	106.8040	0.000	1	106.8040	0.000	1	106.8040	0.000	1	106.8040	0.000	1
874	474	643	0:SP3_SP2_SP3	B[6]	C[5,6,6]	C[6a]	4:3:3:2:	4:4:4:1:	4:3:3:	C[5,6,6]-4:C[6a]-3:C[6a]-3:O[6]-2:	C[5,5,6]-4:C[5,6,6]-4:B[6]-4:H-1:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6a]C[6a]2)2(O[6]C[6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]P[6]H)(B[6]C[6a]2O[6])(H)	C[6a](B[6]C[5,6,6]C[6a]O[6])(C[6a]C[6a]F)2	B[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6a]C[6a]2)2(O[6]C[6]){1|P<4>,3|C<4>,3|H<1>,4|F<1>,5|C<3>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]P[6]H)(B[6]C[6a]2O[6])(H){2|C<4>,5|H<1>,6|C<3>}	C[6a](B[6]C[5,6,6]C[6a]O[6])(C[6a]C[6a]F)2{1|H<1>,2|F<1>,3|C<3>,3|C<4>}	113.7305	0.013	2	113.7305	0.000	2	113.7305	0.000	2	113.7305	0.000	2	113.0970	6.394	4	113.4551	21.146	10
874	474	643	0:SP3_SP2_SP3	B[6]	C[5,6,6]	C[6a]	4:3:3:4:	4:4:4:1:	4:3:3:	C[5,6,6]-4:C[6a]-3:C[6a]-3:C[6]-4:	C[5,5,6]-4:C[5,6,6]-4:B[6]-4:H-1:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6a]C[6a]2)2(C[6]C[6]HH)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]P[6]H)(B[6]C[6a]2C[6])(H)	C[6a](B[6]C[5,6,6]C[6a]C[6])(C[6a]C[6a]F)2	B[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6a]C[6a]2)2(C[6]C[6]HH){1|P<4>,3|C<4>,4|C<3>,4|F<1>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]P[6]H)(B[6]C[6a]2C[6])(H){2|C<4>,6|C<3>,7|H<1>}	C[6a](B[6]C[5,6,6]C[6a]C[6])(C[6a]C[6a]F)2{2|F<1>,3|C<3>,3|C<4>,3|H<1>}	112.4635	4.192	2	112.4635	17.577	2	112.4635	17.577	2	112.4635	17.577	2	113.0970	6.394	4	113.4551	21.146	10
874	474	643	0:SP3_SP2_SP3	B[6]	C[5,6]	C[6a]	4:3:3:3:	3:4:4:3:	4:3:3:	C[5,6]-4:C[6a]-3:C[6a]-3:O[6]-3:	C[5,6a]-3:B[6]-4:C[6]-4:C[5]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)2(O[6]C[6]Li)	C[5,6](C[5,6a]C[5,6a]C[6a])(B[6]C[6a]2O[6])(C[6]C[6a]C[6]H)(C[5]C[5]H)	C[6a](B[6]C[5,6]C[6a]O[6])(C[6a]C[6a]F)2	B[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)2(O[6]C[6]Li){10|C<3>,1|F<2>,2|H<1>,3|F<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(B[6]C[6a]2O[6])(C[6]C[6a]C[6]H)(C[5]C[5]H){1|Li<3>,1|C<4>,2|H<1>,9|C<3>}	C[6a](B[6]C[5,6]C[6a]O[6])(C[6a]C[6a]F)2{1|Li<3>,1|C<4>,2|F<1>,6|C<3>}	114.7750	6.822	4	114.7750	46.534	4	114.7750	46.534	4	114.7750	46.534	4	113.6938	34.056	6	113.4551	21.146	10
874	474	643	0:SP3_SP2_SP3	B[6]	C[5,6]	C[6a]	4:3:3:4:	4:4:4:1:	4:3:3:	C[5,6]-4:C[6a]-3:C[6a]-3:C[6]-4:	C[5,6]-4:B[6]-4:C[5,6]-4:H-1:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](C[5,6]C[5,6]2H)(C[6a]C[6a]2)2(C[6]C[6]HH)	C[5,6](C[5,6]C[5]P[6]H)(B[6]C[6a]2C[6])(C[5,6]C[5,6]2H)(H)	C[6a](B[6]C[5,6]C[6a]C[6])(C[6a]C[6a]F)2	B[6](C[5,6]C[5,6]2H)(C[6a]C[6a]2)2(C[6]C[6]HH){1|C<4>,1|P<4>,4|F<1>,4|H<1>,6|C<3>}	C[5,6](C[5,6]C[5]P[6]H)(B[6]C[6a]2C[6])(C[5,6]C[5,6]2H)(H){2|C<4>,4|H<1>,8|C<3>}	C[6a](B[6]C[5,6]C[6a]C[6])(C[6a]C[6a]F)2{2|F<1>,3|C<3>,3|C<4>,3|H<1>}	111.5315	4.081	2	111.5315	16.652	2	111.5315	16.652	2	111.5315	16.652	2	113.6938	34.056	6	113.4551	21.146	10
874	490	490	0:SP3_SP3_SP3	B[6]	C	C	3:2:4:4:	4:4:1:1:	4:4:1:1:	C[5,6]-3:O[6]-2:C-4:C-4:	B[6]-4:C-4:H-1:H-1:	B[6]-4:C-4:H-1:H-1:	B[6](C[5,6]N[5,6]C[5])(O[6]C[6])(CCHH)2	C(B[6]C[5,6]O[6]C)(CH3)(H)2	C(B[6]C[5,6]O[6]C)(CH3)(H)2	B[6](C[5,6]N[5,6]C[5])(O[6]C[6])(CCHH)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C(B[6]C[5,6]O[6]C)(CH3)(H)2	C(B[6]C[5,6]O[6]C)(CH3)(H)2	112.7080	0.000	1	112.7080	0.000	1	114.4835	2.859	4	113.9882	2.536	11	113.9235	2.922	31	113.9235	2.922	31
874	490	490	0:SP3_SP3_SP3	B[6]	C	C	3:2:4:4:	4:4:1:1:	4:4:1:1:	C[5,6]-3:O[6]-2:C-4:C-4:	B[6]-4:C-4:H-1:H-1:	B[6]-4:C-4:H-1:H-1:	B[6](C[5,6]N[5,6]N[5])(O[6]C[6,6a])(CCHH)2	C(B[6]C[5,6]O[6]C)(CH3)(H)2	C(B[6]C[5,6]O[6]C)(CH3)(H)2	B[6](C[5,6]N[5,6]N[5])(O[6]C[6,6a])(CCHH)2{1|N<2>,4|C<3>}	C(B[6]C[5,6]O[6]C)(CH3)(H)2	C(B[6]C[5,6]O[6]C)(CH3)(H)2	115.9120	0.416	2	115.9120	0.173	2	114.4835	2.859	4	113.9882	2.536	11	113.9235	2.922	31	113.9235	2.922	31
874	490	490	0:SP3_SP3_SP3	B[6]	C	C	3:2:4:4:	4:4:1:1:	4:4:1:1:	C[5,6]-3:O[6]-2:C-4:C-4:	B[6]-4:C-4:H-1:H-1:	B[6]-4:C-4:H-1:H-1:	B[6](C[5,6]N[5,6]N[5])(O[6]C[6])(CCHH)2	C(B[6]C[5,6]O[6]C)(CH3)(H)2	C(B[6]C[5,6]O[6]C)(CH3)(H)2	B[6](C[5,6]N[5,6]N[5])(O[6]C[6])(CCHH)2{1|C<4>,1|H<1>,4|C<3>}	C(B[6]C[5,6]O[6]C)(CH3)(H)2	C(B[6]C[5,6]O[6]C)(CH3)(H)2	113.4020	0.000	1	113.4020	0.000	1	114.4835	2.859	4	113.9882	2.536	11	113.9235	2.922	31	113.9235	2.922	31
874	490	490	0:SP3_SP3_SP3	B[6]	C	C	3:2:4:4:	4:4:1:1:	4:4:1:1:	N[6,6]-3:O[6]-2:C-4:C-4:	B[6]-4:C-4:H-1:H-1:	B[6]-4:C-4:H-1:H-1:	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(CCHH)2	C(B[6]N[6,6]O[6]C)(CH3)(H)2	C(B[6]N[6,6]O[6]C)(CH3)(H)2	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(CCHH)2{1|C<4>,1|H<1>,4|C<3>}	C(B[6]N[6,6]O[6]C)(CH3)(H)2	C(B[6]N[6,6]O[6]C)(CH3)(H)2	112.0330	0.000	1	113.3080	1.724	6	113.3080	1.724	6	113.9882	2.536	11	113.9235	2.922	31	113.9235	2.922	31
874	490	490	0:SP3_SP3_SP3	B[6]	C	C	3:2:4:4:	4:4:1:1:	4:4:1:1:	N[6,6]-3:O[6]-2:C-4:C-4:	B[6]-4:C-4:H-1:H-1:	B[6]-4:C-4:H-1:H-1:	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(CCHH)2	C(B[6]N[6,6]O[6]C)(CH3)(H)2	C(B[6]N[6,6]O[6]C)(CH3)(H)2	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(CCHH)2{1|C<4>,2|H<1>,3|C<3>}	C(B[6]N[6,6]O[6]C)(CH3)(H)2	C(B[6]N[6,6]O[6]C)(CH3)(H)2	113.3800	1.414	4	113.3080	1.724	6	113.3080	1.724	6	113.9882	2.536	11	113.9235	2.922	31	113.9235	2.922	31
874	490	490	0:SP3_SP3_SP3	B[6]	C	C	3:2:4:4:	4:4:1:1:	4:4:1:1:	N[6,6]-3:O[6]-2:C-4:C-4:	B[6]-4:C-4:H-1:H-1:	B[6]-4:C-4:H-1:H-1:	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(CCHH)2	C(B[6]N[6,6]O[6]C)(CH3)(H)2	C(B[6]N[6,6]O[6]C)(CH3)(H)2	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(CCHH)2{1|H<1>,2|C<4>,3|C<3>}	C(B[6]N[6,6]O[6]C)(CH3)(H)2	C(B[6]N[6,6]O[6]C)(CH3)(H)2	114.2950	0.000	1	113.3080	1.724	6	113.3080	1.724	6	113.9882	2.536	11	113.9235	2.922	31	113.9235	2.922	31
874	490	490	0:SP3_SP3_SP3	B[6]	C	C	3:2:4:4:	4:4:1:1:	4:4:1:1:	N[6]-3:O[6]-2:C-4:C-4:	B[6]-4:C-4:H-1:H-1:	B[6]-4:C-4:H-1:H-1:	B[6](N[6]C[6a]C[6])(O[6]C[6,6a])(CCHH)2	C(B[6]N[6]O[6]C)(CH3)(H)2	C(B[6]N[6]O[6]C)(CH3)(H)2	B[6](N[6]C[6a]C[6])(O[6]C[6,6a])(CCHH)2{1|H<1>,4|C<3>}	C(B[6]N[6]O[6]C)(CH3)(H)2	C(B[6]N[6]O[6]C)(CH3)(H)2	116.0880	0.000	1	116.0880	0.000	1	116.0880	0.000	1	113.9882	2.536	11	113.9235	2.922	31	113.9235	2.922	31
874	490	490	0:SP3_SP3_SP3	B[6]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	N[5,6]-3:N[5,6]-3:C-4:C-4:	B[6]-4:H-1:H-1:H-1:	B[6]-4:H-1:H-1:H-1:	B[6](N[5,6]C[5,6]C[5])2(CH3)2	C(B[6]N[5,6]2C)(H)3	C(B[6]N[5,6]2C)(H)3	B[6](N[5,6]C[5,6]C[5])2(CH3)2{1|In<5>,2|C<3>,2|H<1>,2|N<3>}	C(B[6]N[5,6]2C)(H)3	C(B[6]N[5,6]2C)(H)3	112.8300	0.140	2	112.8300	0.020	2	112.8300	0.020	2	114.4544	4.164	5	113.9235	2.922	31	113.9235	2.922	31
874	490	490	0:SP3_SP3_SP3	B[6]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	N[5a,6]-3:N[5a,6]-3:C-4:C-4:	B[6]-4:H-1:H-1:H-1:	B[6]-4:H-1:H-1:H-1:	B[6](N[5a,6]C[5a,6]C[5a])2(CH3)2	C(B[6]N[5a,6]2C)(H)3	C(B[6]N[5a,6]2C)(H)3	B[6](N[5a,6]C[5a,6]C[5a])2(CH3)2{2|C<4>,5|C<3>}	C(B[6]N[5a,6]2C)(H)3	C(B[6]N[5a,6]2C)(H)3	116.6265	0.851	2	115.5373	3.921	3	115.5373	3.921	3	114.4544	4.164	5	113.9235	2.922	31	113.9235	2.922	31
874	490	490	0:SP3_SP3_SP3	B[6]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	N[5a,6]-3:N[5a,6]-3:C-4:C-4:	B[6]-4:H-1:H-1:H-1:	B[6]-4:H-1:H-1:H-1:	B[6](N[5a,6]C[5a,6]C[5a])2(CH3)2	C(B[6]N[5a,6]2C)(H)3	C(B[6]N[5a,6]2C)(H)3	B[6](N[5a,6]C[5a,6]C[5a])2(CH3)2{2|H<1>,5|C<3>}	C(B[6]N[5a,6]2C)(H)3	C(B[6]N[5a,6]2C)(H)3	113.3590	0.000	1	115.5373	3.921	3	115.5373	3.921	3	114.4544	4.164	5	113.9235	2.922	31	113.9235	2.922	31
874	490	490	0:SP3_SP3_SP3	B[6]	C	C	3:3:4:4:	4:4:1:1:	4:4:1:1:	N[5,6]-3:N[5,6]-3:C-4:C-4:	B[6]-4:C-4:H-1:H-1:	B[6]-4:C-4:H-1:H-1:	B[6](N[5,6]C[5,6a]N[5,6])(N[5,6]N[5,6]C[5])(CCHH)2	C(B[6]N[5,6]2C)(CH3)(H)2	C(B[6]N[5,6]2C)(CH3)(H)2	B[6](N[5,6]C[5,6a]N[5,6])(N[5,6]N[5,6]C[5])(CCHH)2{1|B<4>,1|H<1>,5|C<3>}	C(B[6]N[5,6]2C)(CH3)(H)2	C(B[6]N[5,6]2C)(CH3)(H)2	114.8665	1.698	2	114.8665	2.882	2	113.7546	5.001	9	113.6991	3.101	15	113.9235	2.922	31	113.9235	2.922	31
874	490	490	0:SP3_SP3_SP3	B[6]	C	C	3:3:4:4:	4:4:1:1:	4:4:1:1:	N[5,6]-3:N[5,6]-3:C-4:C-4:	B[6]-4:C-4:H-1:H-1:	B[6]-4:C-4:H-1:H-1:	B[6](N[5,6]N[5,6]C[5])2(CCHH)2	C(B[6]N[5,6]2C)(CCHH)(H)2	C(B[6]N[5,6]2C)(CCHH)(H)2	B[6](N[5,6]N[5,6]C[5])2(CCHH)2{1|B<4>,2|H<1>,4|C<3>}	C(B[6]N[5,6]2C)(CCHH)(H)2	C(B[6]N[5,6]2C)(CCHH)(H)2	113.4369	2.379	7	113.4369	5.658	7	113.7546	5.001	9	113.6991	3.101	15	113.9235	2.922	31	113.9235	2.922	31
874	490	490	0:SP3_SP3_SP3	B[6]	C	C	3:3:4:4:	4:4:1:1:	4:4:1:1:	N[5a,6]-3:C[5,6]-3:C-4:C-4:	B[6]-4:C-4:H-1:H-1:	B[6]-4:C-4:H-1:H-1:	B[6](N[5a,6]C[5a,6,6a]C[5a])(C[5,6]N[5,6]N[5])(CCHH)2	C(B[6]N[5a,6]C[5,6]C)(CH3)(H)2	C(B[6]N[5a,6]C[5,6]C)(CH3)(H)2	B[6](N[5a,6]C[5a,6,6a]C[5a])(C[5,6]N[5,6]N[5])(CCHH)2{1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C(B[6]N[5a,6]C[5,6]C)(CH3)(H)2	C(B[6]N[5a,6]C[5,6]C)(CH3)(H)2	113.9340	0.000	1	113.9340	0.000	1	113.9340	0.000	1	113.6991	3.101	15	113.9235	2.922	31	113.9235	2.922	31
874	490	490	0:SP3_SP3_SP3	B[6]	C	C	3:3:4:4:	4:4:1:1:	4:4:1:1:	N[5a,6]-3:N[5,6]-3:C-4:C-4:	B[6]-4:C-4:H-1:H-1:	B[6]-4:C-4:H-1:H-1:	B[6](N[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(CCHH)2	C(B[6]N[5a,6]N[5,6]C)(CCHH)(H)2	C(B[6]N[5a,6]N[5,6]C)(CCHH)(H)2	B[6](N[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(CCHH)2{1|H<1>,3|C<3>,3|C<4>}	C(B[6]N[5a,6]N[5,6]C)(CCHH)(H)2	C(B[6]N[5a,6]N[5,6]C)(CCHH)(H)2	113.1830	0.820	2	113.5127	1.064	4	113.5127	1.064	4	113.6991	3.101	15	113.9235	2.922	31	113.9235	2.922	31
874	490	490	0:SP3_SP3_SP3	B[6]	C	C	3:3:4:4:	4:4:1:1:	4:4:1:1:	N[5a,6]-3:N[5,6]-3:C-4:C-4:	B[6]-4:C-4:H-1:H-1:	B[6]-4:C-4:H-1:H-1:	B[6](N[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(CCHH)2	C(B[6]N[5a,6]N[5,6]C)(CCHH)(H)2	C(B[6]N[5a,6]N[5,6]C)(CCHH)(H)2	B[6](N[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(CCHH)2{2|C<3>,2|H<1>,4|C<4>}	C(B[6]N[5a,6]N[5,6]C)(CCHH)(H)2	C(B[6]N[5a,6]N[5,6]C)(CCHH)(H)2	113.8425	1.443	2	113.5127	1.064	4	113.5127	1.064	4	113.6991	3.101	15	113.9235	2.922	31	113.9235	2.922	31
874	490	490	0:SP3_SP3_SP3	B[6]	C	C	3:3:4:4:	4:4:1:1:	4:4:1:1:	N[6,6]-3:N[6]-3:C-4:C-4:	B[6]-4:C-4:H-1:H-1:	B[6]-4:C-4:H-1:H-1:	B[6](N[6,6]C[6,6]C[6])(N[6]C[6]H)(CCHH)2	C(B[6]N[6,6]N[6]C)(CH3)(H)2	C(B[6]N[6,6]N[6]C)(CH3)(H)2	B[6](N[6,6]C[6,6]C[6])(N[6]C[6]H)(CCHH)2{1|H<1>,4|C<3>}	C(B[6]N[6,6]N[6]C)(CH3)(H)2	C(B[6]N[6,6]N[6]C)(CH3)(H)2	113.7100	0.000	1	113.7100	0.000	1	113.7100	0.000	1	113.6991	3.101	15	113.9235	2.922	31	113.9235	2.922	31
874	490	542	0:SP3_SP2_SP3	B[6]	C	N[5,6]	3:3:3:4:	4:4:4:4:	4:3:3:	N[5,6]-3:N[5,6]-3:C[6a]-3:C-4:	B[6]-4:C-4:C-4:C-4:	B[6]-4:N[5,6]-3:C[5]-3:	B[6](N[5,6]N[5,6]C[5])2(C[6a]C[6a]2)(CC3)	C(B[6]N[5,6]2C[6a])(CH3)3	N[5,6](B[6]N[5,6]C[6a]C)(N[5,6]B[6]C[5])(C[5]C[5]H)	B[6](N[5,6]N[5,6]C[5])2(C[6a]C[6a]2)(CC3){1|B<4>,4|H<1>,6|C<3>}	C(B[6]N[5,6]2C[6a])(CH3)3	N[5,6](B[6]N[5,6]C[6a]C)(N[5,6]B[6]C[5])(C[5]C[5]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	110.7782	2.433	4	110.7782	5.917	4	110.7782	5.917	4	110.7782	5.917	4	109.5391	2.391	56	109.5391	2.391	56
874	490	542	0:SP3_SP2_SP3	B[6]	C	N[5,6]	3:3:4:4:	4:1:1:1:	3:4:3:	N[5,6]-3:N[5,6]-3:C-4:C-4:	B[6]-4:H-1:H-1:H-1:	C[5,6]-3:B[6]-4:C[5]-3:	B[6](N[5,6]C[5,6]C[5])2(CH3)2	C(B[6]N[5,6]2C)(H)3	N[5,6](C[5,6]In[6,6]N[5])(B[6]N[5,6]CC)(C[5]C[5]H)	B[6](N[5,6]C[5,6]C[5])2(CH3)2{1|In<5>,2|C<3>,2|H<1>,2|N<3>}	C(B[6]N[5,6]2C)(H)3	N[5,6](C[5,6]In[6,6]N[5])(B[6]N[5,6]CC)(C[5]C[5]H){1|Br<1>,1|C<4>,1|H<1>,4|C<3>}	109.0646	1.201	8	109.0646	1.443	8	109.0646	1.443	8	109.0646	1.443	8	109.5391	2.391	56	109.5391	2.391	56
874	490	542	0:SP3_SP2_SP3	B[6]	C	N[5,6]	3:3:4:4:	4:4:1:1:	3:3:4:	N[5,6]-3:N[5,6]-3:C-4:C-4:	B[6]-4:C-4:H-1:H-1:	C[5,6a]-3:N[5,6]-3:B[6]-4:	B[6](N[5,6]C[5,6a]N[5,6])(N[5,6]N[5,6]C[5])(CCHH)2	C(B[6]N[5,6]2C)(CH3)(H)2	N[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(B[6]N[5,6]CC)	B[6](N[5,6]C[5,6a]N[5,6])(N[5,6]N[5,6]C[5])(CCHH)2{1|B<4>,1|H<1>,5|C<3>}	C(B[6]N[5,6]2C)(CH3)(H)2	N[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(B[6]N[5,6]CC){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	109.4920	1.358	4	109.4920	1.843	4	109.4920	1.843	4	109.4920	1.843	4	109.5391	2.391	56	109.5391	2.391	56
874	490	542	0:SP3_SP2_SP3	B[6]	C	N[5,6]	3:3:4:4:	4:4:1:1:	3:4:3:	N[5,6]-3:N[5,6]-3:C-4:C-4:	B[6]-4:C-4:H-1:H-1:	N[5,6]-3:B[6]-4:C[5]-3:	B[6](N[5,6]C[5,6a]N[5,6])(N[5,6]N[5,6]C[5])(CCHH)2	C(B[6]N[5,6]2C)(CH3)(H)2	N[5,6](N[5,6]C[5,6a]B[6])(B[6]N[5,6]CC)(C[5]C[5,6a]H)	B[6](N[5,6]C[5,6a]N[5,6])(N[5,6]N[5,6]C[5])(CCHH)2{1|B<4>,1|H<1>,5|C<3>}	C(B[6]N[5,6]2C)(CH3)(H)2	N[5,6](N[5,6]C[5,6a]B[6])(B[6]N[5,6]CC)(C[5]C[5,6a]H){1|N<3>,2|C<4>,3|C<3>}	108.1962	1.710	4	108.1962	2.923	4	109.3885	2.341	32	109.4854	2.494	36	109.5391	2.391	56	109.5391	2.391	56
874	490	542	0:SP3_SP2_SP3	B[6]	C	N[5,6]	3:3:4:4:	4:4:1:1:	3:4:3:	N[5,6]-3:N[5,6]-3:C-4:C-4:	B[6]-4:C-4:H-1:H-1:	N[5,6]-3:B[6]-4:C[5]-3:	B[6](N[5,6]N[5,6]C[5])2(CCHH)2	C(B[6]N[5,6]2C)(CCHH)(H)2	N[5,6](N[5,6]B[6]C[5])(B[6]N[5,6]CC)(C[5]C[5]H)	B[6](N[5,6]N[5,6]C[5])2(CCHH)2{1|B<4>,2|H<1>,4|C<3>}	C(B[6]N[5,6]2C)(CCHH)(H)2	N[5,6](N[5,6]B[6]C[5])(B[6]N[5,6]CC)(C[5]C[5]H){1|C<2>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	109.5131	1.568	20	109.5588	2.123	28	109.3885	2.341	32	109.4854	2.494	36	109.5391	2.391	56	109.5391	2.391	56
874	490	542	0:SP3_SP2_SP3	B[6]	C	N[5,6]	3:3:4:4:	4:4:1:1:	3:4:3:	N[5,6]-3:N[5,6]-3:C-4:C-4:	B[6]-4:C-4:H-1:H-1:	N[5,6]-3:B[6]-4:C[5]-3:	B[6](N[5,6]N[5,6]C[5])2(CCHH)2	C(B[6]N[5,6]2C)(CCHH)(H)2	N[5,6](N[5,6]B[6]C[5])(B[6]N[5,6]CC)(C[5]C[5]H)	B[6](N[5,6]N[5,6]C[5])2(CCHH)2{1|B<4>,2|H<1>,4|C<3>}	C(B[6]N[5,6]2C)(CCHH)(H)2	N[5,6](N[5,6]B[6]C[5])(B[6]N[5,6]CC)(C[5]C[5]H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	109.6730	1.222	8	109.5588	2.123	28	109.3885	2.341	32	109.4854	2.494	36	109.5391	2.391	56	109.5391	2.391	56
874	490	542	0:SP3_SP2_SP3	B[6]	C	N[5,6]	3:3:4:4:	4:4:1:1:	3:4:3:	N[5a,6]-3:N[5,6]-3:C-4:C-4:	B[6]-4:C-4:H-1:H-1:	C[5,6]-3:B[6]-4:C[5]-3:	B[6](N[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(CCHH)2	C(B[6]N[5a,6]N[5,6]C)(CCHH)(H)2	N[5,6](C[5,6]C[5]C[6])(B[6]N[5a,6]CC)(C[5]C[5]C)	B[6](N[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(CCHH)2{1|H<1>,3|C<3>,3|C<4>}	C(B[6]N[5a,6]N[5,6]C)(CCHH)(H)2	N[5,6](C[5,6]C[5]C[6])(B[6]N[5a,6]CC)(C[5]C[5]C){2|C<3>,2|C<4>,3|H<1>}	110.2613	2.002	4	110.2613	4.007	4	110.2613	4.007	4	109.4854	2.494	36	109.5391	2.391	56	109.5391	2.391	56
874	490	542	0:SP3_SP2_SP3	B[6]	C	N[5,6]	3:3:4:4:	4:4:1:1:	4:4:3:	N[5a,6]-3:N[5,6]-3:C-4:C-4:	B[6]-4:C-4:H-1:H-1:	C[5,6]-4:B[6]-4:C[5]-3:	B[6](N[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(CCHH)2	C(B[6]N[5a,6]N[5,6]C)(CCHH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(B[6]N[5a,6]CC)(C[5]C[5]C)	B[6](N[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(CCHH)2{2|C<3>,2|H<1>,4|C<4>}	C(B[6]N[5a,6]N[5,6]C)(CCHH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(B[6]N[5a,6]CC)(C[5]C[5]C){2|C<3>,2|C<4>,4|H<1>}	109.7788	0.920	4	109.7788	0.847	4	109.7788	0.847	4	109.7788	0.847	4	109.5391	2.391	56	109.5391	2.391	56
874	490	622	0:SP3_SP2_SP3	B[6,6]	C	O[6]	3:3:2:4:	4:1:1:1:	4:3:	N[5a,6]-3:N[5a,6,6]-3:O[6]-2:C-4:	B[6,6]-4:H-1:H-1:H-1:	B[6,6]-4:C[6,6a]-3:	B[6,6](N[5a,6]C[5a,6]C[5a])(N[5a,6,6]C[5a,6]2)(O[6]C[6,6a])(CH3)	C(B[6,6]N[5a,6,6]N[5a,6]O[6])(H)3	O[6](B[6,6]N[5a,6,6]N[5a,6]C)(C[6,6a]C[6,6a]C[6a])	B[6,6](N[5a,6]C[5a,6]C[5a])(N[5a,6,6]C[5a,6]2)(O[6]C[6,6a])(CH3){1|C<4>,7|C<3>}	C(B[6,6]N[5a,6,6]N[5a,6]O[6])(H)3	O[6](B[6,6]N[5a,6,6]N[5a,6]C)(C[6,6a]C[6,6a]C[6a]){1|H<1>,6|C<3>}	112.1200	0.000	1	112.1200	0.000	1	112.1200	0.000	1	112.1200	0.000	1	112.1200	0.000	1	108.3071	5.452	7
874	490	622	0:SP3_SP2_SP3	B[6]	C	O[6]	3:2:4:4:	4:4:1:1:	3:4:	C[5,6]-3:O[6]-2:C-4:C-4:	B[6]-4:C-4:H-1:H-1:	C[6,6a]-3:B[6]-4:	B[6](C[5,6]N[5,6]N[5])(O[6]C[6,6a])(CCHH)2	C(B[6]C[5,6]O[6]C)(CH3)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(B[6]C[5,6]CC)	B[6](C[5,6]N[5,6]N[5])(O[6]C[6,6a])(CCHH)2{1|N<2>,4|C<3>}	C(B[6]C[5,6]O[6]C)(CH3)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(B[6]C[5,6]CC){1|H<1>,2|C<3>,2|N<3>}	107.0203	1.596	4	107.0203	2.546	4	107.0203	2.546	4	107.6717	3.150	6	107.6717	3.150	6	108.3071	5.452	7
874	490	622	0:SP3_SP2_SP3	B[6]	C	O[6]	3:2:4:4:	4:4:1:1:	3:4:	N[6]-3:O[6]-2:C-4:C-4:	B[6]-4:C-4:H-1:H-1:	C[6,6a]-3:B[6]-4:	B[6](N[6]C[6a]C[6])(O[6]C[6,6a])(CCHH)2	C(B[6]N[6]O[6]C)(CH3)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]CC)	B[6](N[6]C[6a]C[6])(O[6]C[6,6a])(CCHH)2{1|H<1>,4|C<3>}	C(B[6]N[6]O[6]C)(CH3)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6]CC){1|H<1>,4|C<3>}	108.9745	1.737	2	108.9745	3.018	2	108.9745	3.018	2	107.6717	3.150	6	107.6717	3.150	6	108.3071	5.452	7
874	490	622	0:SP3_SP3_SP3	B[6]	C	O[6]	3:2:4:4:	4:4:1:1:	4:4:	C[5,6]-3:O[6]-2:C-4:C-4:	B[6]-4:C-4:H-1:H-1:	B[6]-4:C[6]-4:	B[6](C[5,6]N[5,6]C[5])(O[6]C[6])(CCHH)2	C(B[6]C[5,6]O[6]C)(CH3)(H)2	O[6](B[6]C[5,6]CC)(C[6]C[6]CH)	B[6](C[5,6]N[5,6]C[5])(O[6]C[6])(CCHH)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C(B[6]C[5,6]O[6]C)(CH3)(H)2	O[6](B[6]C[5,6]CC)(C[6]C[6]CH){1|C<3>,1|N<3>,2|H<1>}	109.4410	1.335	2	109.4410	1.782	2	109.4410	1.782	2	110.7512	11.991	16	110.7512	11.991	16	110.7512	11.991	16
874	490	622	0:SP3_SP3_SP3	B[6]	C	O[6]	3:2:4:4:	4:4:1:1:	4:4:	C[5,6]-3:O[6]-2:C-4:C-4:	B[6]-4:C-4:H-1:H-1:	C[6]-4:B[6]-4:	B[6](C[5,6]N[5,6]N[5])(O[6]C[6])(CCHH)2	C(B[6]C[5,6]O[6]C)(CH3)(H)2	O[6](C[6]C[6a]C[6]H)(B[6]C[5,6]CC)	B[6](C[5,6]N[5,6]N[5])(O[6]C[6])(CCHH)2{1|C<4>,1|H<1>,4|C<3>}	C(B[6]C[5,6]O[6]C)(CH3)(H)2	O[6](C[6]C[6a]C[6]H)(B[6]C[5,6]CC){2|C<3>,2|H<1>,2|N<3>}	109.1180	4.509	2	109.1180	20.327	2	109.1180	20.327	2	110.7512	11.991	16	110.7512	11.991	16	110.7512	11.991	16
874	490	622	0:SP3_SP3_SP3	B[6]	C	O[6]	3:2:4:4:	4:4:1:1:	4:4:	N[6,6]-3:O[6]-2:C-4:C-4:	B[6]-4:C-4:H-1:H-1:	B[6]-4:C[6]-4:	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(CCHH)2	C(B[6]N[6,6]O[6]C)(CH3)(H)2	O[6](B[6]N[6,6]CC)(C[6]C[6]CH)	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(CCHH)2{1|C<4>,2|H<1>,3|C<3>}	C(B[6]N[6,6]O[6]C)(CH3)(H)2	O[6](B[6]N[6,6]CC)(C[6]C[6]CH){2|C<3>,2|H<1>}	112.0500	3.668	2	112.0500	13.458	2	112.0500	13.458	2	110.7512	11.991	16	110.7512	11.991	16	110.7512	11.991	16
874	490	622	0:SP3_SP3_SP3	B[6]	C	O[6]	3:2:4:4:	4:4:1:1:	4:4:	N[6,6]-3:O[6]-2:C-4:C-4:	B[6]-4:C-4:H-1:H-1:	C[6]-4:B[6]-4:	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(CCHH)2	C(B[6]N[6,6]O[6]C)(CH3)(H)2	O[6](C[6]C[6a]2C[6])(B[6]N[6,6]CC)	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(CCHH)2{1|C<4>,1|H<1>,4|C<3>}	C(B[6]N[6,6]O[6]C)(CH3)(H)2	O[6](C[6]C[6a]2C[6])(B[6]N[6,6]CC){2|H<1>,6|C<3>}	112.0005	7.729	2	112.0005	59.743	2	111.0802	14.563	10	110.7512	11.991	16	110.7512	11.991	16	110.7512	11.991	16
874	490	622	0:SP3_SP3_SP3	B[6]	C	O[6]	3:2:4:4:	4:4:1:1:	4:4:	N[6,6]-3:O[6]-2:C-4:C-4:	B[6]-4:C-4:H-1:H-1:	C[6]-4:B[6]-4:	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(CCHH)2	C(B[6]N[6,6]O[6]C)(CH3)(H)2	O[6](C[6]C[6a]C[6]C)(B[6]N[6,6]CC)	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(CCHH)2{1|H<1>,2|C<4>,3|C<3>}	C(B[6]N[6,6]O[6]C)(CH3)(H)2	O[6](C[6]C[6a]C[6]C)(B[6]N[6,6]CC){2|H<1>,4|C<3>}	109.7020	1.913	2	109.7020	3.661	2	111.0802	14.563	10	110.7512	11.991	16	110.7512	11.991	16	110.7512	11.991	16
874	490	622	0:SP3_SP3_SP3	B[6]	C	O[6]	3:2:4:4:	4:4:1:1:	4:4:	N[6,6]-3:O[6]-2:C-4:C-4:	B[6]-4:C-4:H-1:H-1:	C[6]-4:B[6]-4:	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(CCHH)2	C(B[6]N[6,6]O[6]C)(CH3)(H)2	O[6](C[6]C[6a]C[6]H)(B[6]N[6,6]CC)	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(CCHH)2{1|C<4>,2|H<1>,3|C<3>}	C(B[6]N[6,6]O[6]C)(CH3)(H)2	O[6](C[6]C[6a]C[6]H)(B[6]N[6,6]CC){2|H<1>,4|C<3>}	111.2328	3.522	6	111.2328	12.406	6	111.0802	14.563	10	110.7512	11.991	16	110.7512	11.991	16	110.7512	11.991	16
874	490	643	0:SP3_SP2_SP3	B[6]	C	C[6a]	3:3:3:4:	4:4:4:4:	4:3:3:	N[5,6]-3:N[5,6]-3:C[6a]-3:C-4:	B[6]-4:C-4:C-4:C-4:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](N[5,6]N[5,6]C[5])2(C[6a]C[6a]2)(CC3)	C(B[6]N[5,6]2C[6a])(CH3)3	C[6a](B[6]N[5,6]2C)(C[6a]C[6a]H)2	B[6](N[5,6]N[5,6]C[5])2(C[6a]C[6a]2)(CC3){1|B<4>,4|H<1>,6|C<3>}	C(B[6]N[5,6]2C[6a])(CH3)3	C[6a](B[6]N[5,6]2C)(C[6a]C[6a]H)2{1|B<4>,1|H<1>,2|N<3>,3|C<3>}	118.0045	0.276	2	118.0045	0.076	2	118.0045	0.076	2	118.0045	0.076	2	114.5812	10.007	5	114.5812	10.007	5
874	490	643	0:SP3_SP2_SP3	B[6]	C	C[6a]	4:3:4:4:	4:3:1:1:	4:3:3:	P[6]-4:C[6a]-3:C[6]-4:C-4:	B[6]-4:P-3:H-1:H-1:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](P[6]C[6a]2C[6])(C[6a]C[6a]2)(C[6]P[6]HH)(CHHP)	C(B[6]C[6a]C[6]P[6])(PC[6a]2)(H)2	C[6a](B[6]C[6]P[6]C)(C[6a]C[6a]H)2	B[6](P[6]C[6a]2C[6])(C[6a]C[6a]2)(C[6]P[6]HH)(CHHP){1|B<4>,4|H<1>,8|C<3>}	C(B[6]C[6a]C[6]P[6])(PC[6a]2)(H)2	C[6a](B[6]C[6]P[6]C)(C[6a]C[6a]H)2{1|C<4>,1|P<4>,3|C<3>,4|H<1>}	112.2990	0.666	3	112.2990	0.443	3	112.2990	0.443	3	112.2990	0.443	3	114.5812	10.007	5	114.5812	10.007	5
874	490	813	0:SP3_SP2_SP3	B[6,6]	C	N[5a,6,6]	3:3:2:4:	4:1:1:1:	3:3:4:	N[5a,6]-3:N[5a,6,6]-3:O[6]-2:C-4:	B[6,6]-4:H-1:H-1:H-1:	C[5a,6]-3:C[5a,6]-3:B[6,6]-4:	B[6,6](N[5a,6]C[5a,6]C[5a])(N[5a,6,6]C[5a,6]2)(O[6]C[6,6a])(CH3)	C(B[6,6]N[5a,6,6]N[5a,6]O[6])(H)3	N[5a,6,6](C[5a,6]C[5a,6a]C[6,6a])(C[5a,6]C[5a,6a]C[6])(B[6,6]N[5a,6]O[6]C)	B[6,6](N[5a,6]C[5a,6]C[5a])(N[5a,6,6]C[5a,6]2)(O[6]C[6,6a])(CH3){1|C<4>,7|C<3>}	C(B[6,6]N[5a,6,6]N[5a,6]O[6])(H)3	N[5a,6,6](C[5a,6]C[5a,6a]C[6,6a])(C[5a,6]C[5a,6a]C[6])(B[6,6]N[5a,6]O[6]C){1|H<1>,6|C<3>}	110.6700	0.000	1	110.6700	0.000	1	110.6700	0.000	1	110.6700	0.000	1	110.6700	0.000	1	109.5220	1.956	28
874	490	813	0:SP3_SP2_SP3	B[6,6]	C	N[5a,6]	3:3:2:4:	4:1:1:1:	4:3:3:	N[5a,6]-3:N[5a,6,6]-3:O[6]-2:C-4:	B[6,6]-4:H-1:H-1:H-1:	B[6,6]-4:C[5a,6]-3:C[5a]-3:	B[6,6](N[5a,6]C[5a,6]C[5a])(N[5a,6,6]C[5a,6]2)(O[6]C[6,6a])(CH3)	C(B[6,6]N[5a,6,6]N[5a,6]O[6])(H)3	N[5a,6](B[6,6]N[5a,6,6]O[6]C)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	B[6,6](N[5a,6]C[5a,6]C[5a])(N[5a,6,6]C[5a,6]2)(O[6]C[6,6a])(CH3){1|C<4>,7|C<3>}	C(B[6,6]N[5a,6,6]N[5a,6]O[6])(H)3	N[5a,6](B[6,6]N[5a,6,6]O[6]C)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|H<1>,2|C<4>,3|C<3>}	111.3190	0.000	1	111.3190	0.000	1	111.3190	0.000	1	111.3190	0.000	1	111.3190	0.000	1	109.5220	1.956	28
874	490	813	0:SP3_SP2_SP3	B[6]	C	N[5a,6]	3:3:4:1:	4:1:1:1:	3:4:3:	N[5a,6]-3:N[5a,6]-3:C-4:F-1:	B[6]-4:F-1:F-1:F-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(CF3)(F)	C(B[6]N[5a,6]2F)(F)3	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]CF)(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(CF3)(F){2|C<4>,5|C<3>}	C(B[6]N[5a,6]2F)(F)3	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]CF)(C[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	108.8505	0.158	2	108.8505	0.025	2	108.8505	0.025	2	110.3388	3.055	4	109.4087	1.917	26	109.5220	1.956	28
874	490	813	0:SP3_SP2_SP3	B[6]	C	N[5a,6]	3:3:4:1:	4:1:1:1:	3:4:3:	N[5a,6]-3:N[5a,6]-3:C-4:F-1:	B[6]-4:H-1:H-1:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(CH3)(F)	C(B[6]N[5a,6]2F)(H)3	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]CF)(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(CH3)(F){2|H<1>,5|C<3>}	C(B[6]N[5a,6]2F)(H)3	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]CF)(C[5a]C[5a]H){2|H<1>,3|C<3>}	111.8270	0.529	2	111.8270	0.280	2	111.8270	0.280	2	110.3388	3.055	4	109.4087	1.917	26	109.5220	1.956	28
874	490	813	0:SP3_SP2_SP3	B[6]	C	N[5a,6]	3:3:4:4:	4:1:1:1:	3:4:3:	N[5a,6]-3:N[5a,6]-3:C-4:C-4:	B[6]-4:H-1:H-1:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(CH3)2	C(B[6]N[5a,6]2C)(H)3	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]CC)(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])2(CH3)2{2|C<4>,5|C<3>}	C(B[6]N[5a,6]2C)(H)3	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]CC)(C[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	108.6308	1.270	8	108.6308	1.614	8	109.0881	2.081	12	109.0881	2.081	12	109.4087	1.917	26	109.5220	1.956	28
874	490	813	0:SP3_SP2_SP3	B[6]	C	N[5a,6]	3:3:4:4:	4:1:1:1:	3:4:3:	N[5a,6]-3:N[5a,6]-3:C-4:C-4:	B[6]-4:H-1:H-1:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])2(CH3)2	C(B[6]N[5a,6]2C)(H)3	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]CC)(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])2(CH3)2{2|H<1>,5|C<3>}	C(B[6]N[5a,6]2C)(H)3	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]CC)(C[5a]C[5a]H){2|H<1>,3|C<3>}	110.0027	1.480	4	110.0027	2.191	4	109.0881	2.081	12	109.0881	2.081	12	109.4087	1.917	26	109.5220	1.956	28
874	490	813	0:SP3_SP2_SP3	B[6]	C	N[5a,6]	3:3:4:4:	4:4:1:1:	3:4:3:	N[5a,6]-3:C[5,6]-3:C-4:C-4:	B[6]-4:C-4:H-1:H-1:	C[5a,6,6a]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6,6a]C[5a])(C[5,6]N[5,6]N[5])(CCHH)2	C(B[6]N[5a,6]C[5,6]C)(CH3)(H)2	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[6]C[5,6]CC)(C[5a]N[5a]H)	B[6](N[5a,6]C[5a,6,6a]C[5a])(C[5,6]N[5,6]N[5])(CCHH)2{1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C(B[6]N[5a,6]C[5,6]C)(CH3)(H)2	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[6]C[5,6]CC)(C[5a]N[5a]H){2|N<2>,2|N<3>}	110.1035	2.386	2	110.1035	5.695	2	110.1035	5.695	2	109.4215	1.242	10	109.4087	1.917	26	109.5220	1.956	28
874	490	813	0:SP3_SP2_SP3	B[6]	C	N[5a,6]	3:3:4:4:	4:4:1:1:	3:4:3:	N[5a,6]-3:N[5,6]-3:C-4:C-4:	B[6]-4:C-4:H-1:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(CCHH)2	C(B[6]N[5a,6]N[5,6]C)(CCHH)(H)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]CC)(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(CCHH)2{1|H<1>,3|C<3>,3|C<4>}	C(B[6]N[5a,6]N[5,6]C)(CCHH)(H)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]CC)(C[5a]C[5a]H){1|Br<1>,1|H<1>,3|C<3>}	109.2030	0.404	2	109.2510	0.618	8	109.2510	0.618	8	109.4215	1.242	10	109.4087	1.917	26	109.5220	1.956	28
874	490	813	0:SP3_SP2_SP3	B[6]	C	N[5a,6]	3:3:4:4:	4:4:1:1:	3:4:3:	N[5a,6]-3:N[5,6]-3:C-4:C-4:	B[6]-4:C-4:H-1:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(CCHH)2	C(B[6]N[5a,6]N[5,6]C)(CCHH)(H)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]CC)(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(CCHH)2{1|H<1>,3|C<3>,3|C<4>}	C(B[6]N[5a,6]N[5,6]C)(CCHH)(H)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]CC)(C[5a]C[5a]H){2|H<1>,3|C<3>}	109.3885	1.742	2	109.2510	0.618	8	109.2510	0.618	8	109.4215	1.242	10	109.4087	1.917	26	109.5220	1.956	28
874	490	813	0:SP3_SP2_SP3	B[6]	C	N[5a,6]	3:3:4:4:	4:4:1:1:	3:4:3:	N[5a,6]-3:N[5,6]-3:C-4:C-4:	B[6]-4:C-4:H-1:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(CCHH)2	C(B[6]N[5a,6]N[5,6]C)(CCHH)(H)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]CC)(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(CCHH)2{2|C<3>,2|H<1>,4|C<4>}	C(B[6]N[5a,6]N[5,6]C)(CCHH)(H)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]CC)(C[5a]C[5a]H){1|Br<1>,1|C<3>,1|C<4>,3|H<1>}	109.2980	0.774	2	109.2510	0.618	8	109.2510	0.618	8	109.4215	1.242	10	109.4087	1.917	26	109.5220	1.956	28
874	490	813	0:SP3_SP2_SP3	B[6]	C	N[5a,6]	3:3:4:4:	4:4:1:1:	3:4:3:	N[5a,6]-3:N[5,6]-3:C-4:C-4:	B[6]-4:C-4:H-1:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(CCHH)2	C(B[6]N[5a,6]N[5,6]C)(CCHH)(H)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]CC)(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(CCHH)2{2|C<3>,2|H<1>,4|C<4>}	C(B[6]N[5a,6]N[5,6]C)(CCHH)(H)2	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]CC)(C[5a]C[5a]H){1|C<3>,1|C<4>,4|H<1>}	109.1145	0.667	2	109.2510	0.618	8	109.2510	0.618	8	109.4215	1.242	10	109.4087	1.917	26	109.5220	1.956	28
874	490	818	0:SP3_SP2_SP3	B[6]	C	C[5,6]	3:2:4:4:	4:4:1:1:	3:3:4:	C[5,6]-3:O[6]-2:C-4:C-4:	B[6]-4:C-4:H-1:H-1:	N[5,6]-3:N[5]-3:B[6]-4:	B[6](C[5,6]N[5,6]N[5])(O[6]C[6,6a])(CCHH)2	C(B[6]C[5,6]O[6]C)(CH3)(H)2	C[5,6](N[5,6]C[6,6a]C[5])(N[5]C[6a]N[5])(B[6]O[6]CC)	B[6](C[5,6]N[5,6]N[5])(O[6]C[6,6a])(CCHH)2{1|N<2>,4|C<3>}	C(B[6]C[5,6]O[6]C)(CH3)(H)2	C[5,6](N[5,6]C[6,6a]C[5])(N[5]C[6a]N[5])(B[6]O[6]CC){1|H<1>,4|C<3>}	111.7305	2.533	4	111.7305	6.417	4	111.0343	5.617	6	111.0343	5.617	6	110.4231	5.572	10	110.4231	5.572	10
874	490	818	0:SP3_SP2_SP3	B[6]	C	C[5,6]	3:2:4:4:	4:4:1:1:	3:3:4:	C[5,6]-3:O[6]-2:C-4:C-4:	B[6]-4:C-4:H-1:H-1:	N[5,6]-3:N[5]-3:B[6]-4:	B[6](C[5,6]N[5,6]N[5])(O[6]C[6])(CCHH)2	C(B[6]C[5,6]O[6]C)(CH3)(H)2	C[5,6](N[5,6]C[5]C[6])(N[5]C[6a]C[5])(B[6]O[6]CC)	B[6](C[5,6]N[5,6]N[5])(O[6]C[6])(CCHH)2{1|C<4>,1|H<1>,4|C<3>}	C(B[6]C[5,6]O[6]C)(CH3)(H)2	C[5,6](N[5,6]C[5]C[6])(N[5]C[6a]C[5])(B[6]O[6]CC){2|C<3>,2|H<1>,3|C<4>}	109.6420	1.738	2	109.6420	3.021	2	111.0343	5.617	6	111.0343	5.617	6	110.4231	5.572	10	110.4231	5.572	10
874	490	818	0:SP3_SP2_SP3	B[6]	C	C[5,6]	3:2:4:4:	4:4:1:1:	3:4:3:	C[5,6]-3:O[6]-2:C-4:C-4:	B[6]-4:C-4:H-1:H-1:	N[5,6]-3:B[6]-4:C[5]-3:	B[6](C[5,6]N[5,6]C[5])(O[6]C[6])(CCHH)2	C(B[6]C[5,6]O[6]C)(CH3)(H)2	C[5,6](N[5,6]C[5]C[6])(B[6]O[6]CC)(C[5]N[5]H)	B[6](C[5,6]N[5,6]C[5])(O[6]C[6])(CCHH)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C(B[6]C[5,6]O[6]C)(CH3)(H)2	C[5,6](N[5,6]C[5]C[6])(B[6]O[6]CC)(C[5]N[5]H){2|C<4>,3|H<1>}	109.3820	2.070	2	109.3820	4.287	2	109.3820	4.287	2	109.3820	4.287	2	110.4231	5.572	10	110.4231	5.572	10
874	490	818	0:SP3_SP2_SP3	B[6]	C	C[5,6]	3:3:4:4:	4:4:1:1:	3:4:3:	N[5a,6]-3:C[5,6]-3:C-4:C-4:	B[6]-4:C-4:H-1:H-1:	N[5,6]-3:B[6]-4:N[5]-3:	B[6](N[5a,6]C[5a,6,6a]C[5a])(C[5,6]N[5,6]N[5])(CCHH)2	C(B[6]N[5a,6]C[5,6]C)(CH3)(H)2	C[5,6](N[5,6]C[6,6a]C[5])(B[6]N[5a,6]CC)(N[5]C[5]C)	B[6](N[5a,6]C[5a,6,6a]C[5a])(C[5,6]N[5,6]N[5])(CCHH)2{1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C(B[6]N[5a,6]C[5,6]C)(CH3)(H)2	C[5,6](N[5,6]C[6,6a]C[5])(B[6]N[5a,6]CC)(N[5]C[5]C){1|N<2>,2|C<3>,2|H<1>}	109.6305	3.480	2	109.6305	12.108	2	109.6305	12.108	2	109.6305	12.108	2	110.4231	5.572	10	110.4231	5.572	10
874	490	830	0:SP3_SP-NON_SP3	B[6]	C	F	3:3:4:1:	4:1:1:1:	4:	N[5a,6]-3:N[5a,6]-3:C-4:F-1:	B[6]-4:F-1:F-1:F-1:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(CF3)(F)	C(B[6]N[5a,6]2F)(F)3	F(B[6]N[5a,6]2C)	B[6](N[5a,6]C[5a,6]C[5a])2(CF3)(F){2|C<4>,5|C<3>}	C(B[6]N[5a,6]2F)(F)3	F(B[6]N[5a,6]2C)	108.2640	0.000	1	108.2640	0.000	1	108.2640	0.000	1	110.3030	8.315	2	110.3030	8.315	2	110.3030	8.315	2
874	490	830	0:SP3_SP-NON_SP3	B[6]	C	F	3:3:4:1:	4:1:1:1:	4:	N[5a,6]-3:N[5a,6]-3:C-4:F-1:	B[6]-4:H-1:H-1:H-1:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])2(CH3)(F)	C(B[6]N[5a,6]2F)(H)3	F(B[6]N[5a,6]2C)	B[6](N[5a,6]C[5a,6]C[5a])2(CH3)(F){2|H<1>,5|C<3>}	C(B[6]N[5a,6]2F)(H)3	F(B[6]N[5a,6]2C)	112.3420	0.000	1	112.3420	0.000	1	112.3420	0.000	1	110.3030	8.315	2	110.3030	8.315	2	110.3030	8.315	2
874	490	849	0:SP3_SP3_SP3	B[6]	C	P[6]	4:3:4:4:	4:3:1:1:	4:3:3:4:	P[6]-4:C[6a]-3:C[6]-4:C-4:	B[6]-4:P-3:H-1:H-1:	B[6]-4:C[6a]-3:C[6a]-3:C[6]-4:	B[6](P[6]C[6a]2C[6])(C[6a]C[6a]2)(C[6]P[6]HH)(CHHP)	C(B[6]C[6a]C[6]P[6])(PC[6a]2)(H)2	P[6](B[6]C[6a]C[6]C)(C[6a]C[6a]2)2(C[6]B[6]HH)	B[6](P[6]C[6a]2C[6])(C[6a]C[6a]2)(C[6]P[6]HH)(CHHP){1|B<4>,4|H<1>,8|C<3>}	C(B[6]C[6a]C[6]P[6])(PC[6a]2)(H)2	P[6](B[6]C[6a]C[6]C)(C[6a]C[6a]2)2(C[6]B[6]HH){1|C<4>,1|P<4>,6|H<1>,7|C<3>}	102.9513	1.062	3	102.9513	1.127	3	102.9513	1.127	3	102.9513	1.127	3	102.9513	1.127	3	102.9513	1.127	3
874	490	856	0:SP3_SP2_SP3	B[6,6]	C	N[6]	4:4:3:4:	4:1:1:1:	4:3:3:	C[6,6]-4:C[6,6]-4:N[6]-3:C-4:	B[6,6]-4:H-1:H-1:I-1:	B[6,6]-4:C[6]-3:C[6]-3:	B[6,6](C[6,6]C[6]2H)2(N[6]C[6]2)(CHHI)	C(B[6,6]C[6,6]2N[6])(H)2(I)	N[6](B[6,6]C[6,6]2C)(C[6]C[6]H)2	B[6,6](C[6,6]C[6]2H)2(N[6]C[6]2)(CHHI){10|H<1>,2|C<3>,2|C<4>}	C(B[6,6]C[6,6]2N[6])(H)2(I)	N[6](B[6,6]C[6,6]2C)(C[6]C[6]H)2{1|C<3>,4|C<4>,4|H<1>}	103.9420	0.000	1	103.9420	0.000	1	103.9420	0.000	1	103.9420	0.000	1	104.7813	0.529	3	107.3935	6.126	21
874	490	856	0:SP3_SP2_SP3	B[6,6]	C	N[6]	4:4:3:4:	4:3:1:1:	4:3:3:	C[6,6]-4:C[6,6]-4:N[6]-3:C-4:	B[6,6]-4:C[6]-3:H-1:H-1:	B[6,6]-4:C[6]-3:C[6]-3:	B[6,6](C[6,6]C[6]2H)2(N[6]C[6]2)(CC[6]HH)	C(B[6,6]C[6,6]2N[6])(C[6]C[6]N[6])(H)2	N[6](B[6,6]C[6,6]2C)(C[6]C[6]C)(C[6]C[6]H)	B[6,6](C[6,6]C[6]2H)2(N[6]C[6]2)(CC[6]HH){2|C<3>,3|C<4>,9|H<1>}	C(B[6,6]C[6,6]2N[6])(C[6]C[6]N[6])(H)2	N[6](B[6,6]C[6,6]2C)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,4|C<4>,4|H<1>}	105.2010	0.047	2	105.2010	0.002	2	105.2010	0.002	2	105.2010	0.002	2	104.7813	0.529	3	107.3935	6.126	21
874	490	856	0:SP3_SP2_SP3	B[6]	C	N[6,6]	3:2:4:4:	4:4:1:1:	3:4:3:	N[6,6]-3:O[6]-2:C-4:C-4:	B[6]-4:C-4:H-1:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(CCHH)2	C(B[6]N[6,6]O[6]C)(CH3)(H)2	N[6,6](C[6,6]C[6]2)(B[6]O[6]CC)(C[6]C[6]H)	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(CCHH)2{1|C<4>,1|H<1>,4|C<3>}	C(B[6]N[6,6]O[6]C)(CH3)(H)2	N[6,6](C[6,6]C[6]2)(B[6]O[6]CC)(C[6]C[6]H){1|C<3>,1|C<4>,4|H<1>}	106.8740	2.141	2	107.0286	3.736	12	107.0286	3.736	12	107.0286	3.736	12	107.3071	5.631	14	107.3935	6.126	21
874	490	856	0:SP3_SP2_SP3	B[6]	C	N[6,6]	3:2:4:4:	4:4:1:1:	3:4:3:	N[6,6]-3:O[6]-2:C-4:C-4:	B[6]-4:C-4:H-1:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(CCHH)2	C(B[6]N[6,6]O[6]C)(CH3)(H)2	N[6,6](C[6,6]C[6]2)(B[6]O[6]CC)(C[6]C[6]H)	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(CCHH)2{1|C<4>,2|H<1>,3|C<3>}	C(B[6]N[6,6]O[6]C)(CH3)(H)2	N[6,6](C[6,6]C[6]2)(B[6]O[6]CC)(C[6]C[6]H){1|C<3>,1|C<4>,4|H<1>}	107.0673	2.187	8	107.0286	3.736	12	107.0286	3.736	12	107.0286	3.736	12	107.3071	5.631	14	107.3935	6.126	21
874	490	856	0:SP3_SP2_SP3	B[6]	C	N[6,6]	3:2:4:4:	4:4:1:1:	3:4:3:	N[6,6]-3:O[6]-2:C-4:C-4:	B[6]-4:C-4:H-1:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(CCHH)2	C(B[6]N[6,6]O[6]C)(CH3)(H)2	N[6,6](C[6,6]C[6]2)(B[6]O[6]CC)(C[6]C[6]H)	B[6](N[6,6]C[6,6]C[6])(O[6]C[6])(CCHH)2{1|H<1>,2|C<4>,3|C<3>}	C(B[6]N[6,6]O[6]C)(CH3)(H)2	N[6,6](C[6,6]C[6]2)(B[6]O[6]CC)(C[6]C[6]H){1|C<3>,1|C<4>,4|H<1>}	107.0285	1.720	2	107.0286	3.736	12	107.0286	3.736	12	107.0286	3.736	12	107.3071	5.631	14	107.3935	6.126	21
874	490	856	0:SP3_SP2_SP3	B[6]	C	N[6,6]	3:3:4:4:	4:4:1:1:	3:4:3:	N[6,6]-3:N[6]-3:C-4:C-4:	B[6]-4:C-4:H-1:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	B[6](N[6,6]C[6,6]C[6])(N[6]C[6]H)(CCHH)2	C(B[6]N[6,6]N[6]C)(CH3)(H)2	N[6,6](C[6,6]C[6]2)(B[6]N[6]CC)(C[6]C[6]H)	B[6](N[6,6]C[6,6]C[6])(N[6]C[6]H)(CCHH)2{1|H<1>,4|C<3>}	C(B[6]N[6,6]N[6]C)(CH3)(H)2	N[6,6](C[6,6]C[6]2)(B[6]N[6]CC)(C[6]C[6]H){2|C<3>,4|H<1>}	108.9780	5.059	2	108.9780	25.590	2	108.9780	25.590	2	108.9780	25.590	2	107.3071	5.631	14	107.3935	6.126	21
874	490	856	0:SP3_SP2_SP3	B[6]	C	N[6]	3:2:4:4:	4:4:1:1:	3:3:4:	N[6]-3:O[6]-2:C-4:C-4:	B[6]-4:C-4:H-1:H-1:	C[6]-3:C[6a]-3:B[6]-4:	B[6](N[6]C[6a]C[6])(O[6]C[6,6a])(CCHH)2	C(B[6]N[6]O[6]C)(CH3)(H)2	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(B[6]O[6]CC)	B[6](N[6]C[6a]C[6])(O[6]C[6,6a])(CCHH)2{1|H<1>,4|C<3>}	C(B[6]N[6]O[6]C)(CH3)(H)2	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(B[6]O[6]CC){2|H<1>,4|C<3>}	108.9475	1.795	2	108.9475	3.223	2	108.9475	3.223	2	108.9475	3.223	2	109.6552	2.409	4	107.3935	6.126	21
874	490	856	0:SP3_SP2_SP3	B[6]	C	N[6]	3:3:4:4:	4:4:1:1:	3:4:1:	N[6,6]-3:N[6]-3:C-4:C-4:	B[6]-4:C-4:H-1:H-1:	C[6]-3:B[6]-4:H-1:	B[6](N[6,6]C[6,6]C[6])(N[6]C[6]H)(CCHH)2	C(B[6]N[6,6]N[6]C)(CH3)(H)2	N[6](C[6]C[6a]C[6])(B[6]N[6,6]CC)(H)	B[6](N[6,6]C[6,6]C[6])(N[6]C[6]H)(CCHH)2{1|H<1>,4|C<3>}	C(B[6]N[6,6]N[6]C)(CH3)(H)2	N[6](C[6]C[6a]C[6])(B[6]N[6,6]CC)(H){1|H<1>,4|C<3>}	110.3630	1.414	2	110.3630	2.000	2	110.3630	2.000	2	110.3630	2.000	2	109.6552	2.409	4	107.3935	6.126	21
874	490	892	0:SP3_SP3_SP3	B[6,6]	C	N	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C-4:N-4:	B[6,6]-4:C-4:H-1:H-1:	B[6,6]-4:H-1:H-1:H-1:	B[6,6](C[6,6]C[6]2H)2(CCHH)(NH3)	C(B[6,6]C[6,6]2N)(CCHH)(H)2	N(B[6,6]C[6,6]2C)(H)3	B[6,6](C[6,6]C[6]2H)2(CCHH)(NH3){2|C<4>,8|H<1>}	C(B[6,6]C[6,6]2N)(CCHH)(H)2	N(B[6,6]C[6,6]2C)(H)3	104.2220	0.938	3	104.2220	0.879	3	104.2220	0.879	3	104.2220	0.879	3	105.5852	2.029	14	105.5852	2.029	14
874	490	892	0:SP3_SP3_SP3	B[6,6]	C	N	4:4:4:4:	4:4:1:1:	4:2:1:1:	C[6,6]-4:C[6,6]-4:C-4:N-4:	B[6,6]-4:C-4:H-1:H-1:	B[6,6]-4:O-2:H-1:H-1:	B[6,6](C[6,6]C[6]2H)2(CCHH)(NHHO)	C(B[6,6]C[6,6]2N)(CCHH)(H)2	N(B[6,6]C[6,6]2C)(OH)(H)2	B[6,6](C[6,6]C[6]2H)2(CCHH)(NHHO){2|C<4>,8|H<1>}	C(B[6,6]C[6,6]2N)(CCHH)(H)2	N(B[6,6]C[6,6]2C)(OH)(H)2	104.7120	0.000	1	104.7120	0.000	1	104.7120	0.000	1	104.7120	0.000	1	105.5852	2.029	14	105.5852	2.029	14
874	490	892	0:SP3_SP3_SP3	B[6,6]	C	N	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C-4:N-4:	B[6,6]-4:C-4:H-1:H-1:	B[6,6]-4:N-3:H-1:H-1:	B[6,6](C[6,6]C[6]2H)2(CCHH)(NHHN)	C(B[6,6]C[6,6]2N)(CCHH)(H)2	N(B[6,6]C[6,6]2C)(NHH)(H)2	B[6,6](C[6,6]C[6]2H)2(CCHH)(NHHN){2|C<4>,8|H<1>}	C(B[6,6]C[6,6]2N)(CCHH)(H)2	N(B[6,6]C[6,6]2C)(NHH)(H)2	105.2883	0.637	3	105.2883	0.405	3	105.4370	0.359	4	105.4370	0.359	4	105.5852	2.029	14	105.5852	2.029	14
874	490	892	0:SP3_SP3_SP3	B[6,6]	C	N	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C-4:N-4:	B[6,6]-4:C-4:H-1:H-1:	B[6,6]-4:N-3:H-1:H-1:	B[6,6](C[6,6]C[6]2H)2(CCHH)(NHHN)	C(B[6,6]C[6,6]2N)(CN[5]HH)(H)2	N(B[6,6]C[6,6]2C)(NHH)(H)2	B[6,6](C[6,6]C[6]2H)2(CCHH)(NHHN){2|C<4>,8|H<1>}	C(B[6,6]C[6,6]2N)(CN[5]HH)(H)2	N(B[6,6]C[6,6]2C)(NHH)(H)2	105.8830	0.000	1	105.8830	0.000	1	105.4370	0.359	4	105.4370	0.359	4	105.5852	2.029	14	105.5852	2.029	14
874	490	892	0:SP3_SP3_SP3	B[6,6]	C	N	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C-4:N-4:	B[6,6]-4:C-4:H-1:H-1:	B[6,6]-4:N-4:H-1:H-1:	B[6,6](C[6,6]C[6]2H)2(CCHH)(NHHN)	C(B[6,6]C[6,6]2N)(CCHH)(H)2	N(B[6,6]C[6,6]2C)(NB[6,6]HH)(H)2	B[6,6](C[6,6]C[6]2H)2(CCHH)(NHHN){2|C<4>,8|H<1>}	C(B[6,6]C[6,6]2N)(CCHH)(H)2	N(B[6,6]C[6,6]2C)(NB[6,6]HH)(H)2	106.0150	0.263	4	106.0150	0.069	4	106.5112	2.394	6	106.5112	2.394	6	105.5852	2.029	14	105.5852	2.029	14
874	490	892	0:SP3_SP3_SP3	B[6,6]	C	N	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C-4:N-4:	B[6,6]-4:C-4:H-1:H-1:	B[6,6]-4:N-4:H-1:H-1:	B[6,6](C[6,6]C[6]2H)2(CCHH)(NHHN)	C(B[6,6]C[6,6]2N)(CCHH)(H)2	N(B[6,6]C[6,6]2C)(NZnHH)(H)2	B[6,6](C[6,6]C[6]2H)2(CCHH)(NHHN){2|C<4>,8|H<1>}	C(B[6,6]C[6,6]2N)(CCHH)(H)2	N(B[6,6]C[6,6]2C)(NZnHH)(H)2	105.4050	0.000	1	105.4050	0.000	1	106.5112	2.394	6	106.5112	2.394	6	105.5852	2.029	14	105.5852	2.029	14
874	490	892	0:SP3_SP3_SP3	B[6,6]	C	N	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C-4:N-4:	B[6,6]-4:C-4:H-1:H-1:	B[6,6]-4:N-4:H-1:H-1:	B[6,6](C[6,6]C[6]2H)2(CCHH)(NHHN)	C(B[6,6]C[6,6]2N)(CN[5]HH)(H)2	N(B[6,6]C[6,6]2C)(NZnHH)(H)2	B[6,6](C[6,6]C[6]2H)2(CCHH)(NHHN){2|C<4>,8|H<1>}	C(B[6,6]C[6,6]2N)(CN[5]HH)(H)2	N(B[6,6]C[6,6]2C)(NZnHH)(H)2	109.6020	0.000	1	109.6020	0.000	1	106.5112	2.394	6	106.5112	2.394	6	105.5852	2.029	14	105.5852	2.029	14
874	490	893	0:SP3_SP2_SP3	B[6,6]	C	O	4:4:4:2:	4:4:1:1:	4:3:	C[6,6]-4:C[6,6]-4:C-4:O-2:	B[6,6]-4:C-4:H-1:H-1:	B[6,6]-4:C-3:	B[6,6](C[6,6]C[6]2H)2(CCHH)(OC)	C(B[6,6]C[6,6]2O)(CHHP)(H)2	O(B[6,6]C[6,6]2C)(CReH)	B[6,6](C[6,6]C[6]2H)2(CCHH)(OC){2|C<4>,8|H<1>}	C(B[6,6]C[6,6]2O)(CHHP)(H)2	O(B[6,6]C[6,6]2C)(CReH)	109.4190	0.000	1	109.4190	0.000	1	109.4190	0.000	1	109.4190	0.000	1	109.4190	0.000	1	109.4190	0.000	1
874	490	893	0:SP3_SP3_SP3	B[6]	C	O	4:4:4:2:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:C-4:O-2:	B[6]-4:C-4:H-1:H-1:	B[6]-4:S-3:	B[6](C[6]C[6,6]HH)2(CCHH)(OS)	C(B[6]C[6]2O)(CC[6]HH)(H)2	O(B[6]C[6]2C)(SCC)	B[6](C[6]C[6,6]HH)2(CCHH)(OS){2|H<1>,3|C<4>}	C(B[6]C[6]2O)(CC[6]HH)(H)2	O(B[6]C[6]2C)(SCC)	104.7400	0.045	2	104.7400	0.002	2	104.7400	0.002	2	104.7400	0.002	2	104.7400	0.002	2	104.7400	0.002	2
874	490	941	0:SP3_SP2_SP3	B[6,6]	C	N	4:4:4:2:	4:3:1:1:	4:2:	C[6,6]-4:C[6,6]-4:C-4:N-2:	B[6,6]-4:S-3:H-1:H-1:	B[6,6]-4:C-2:	B[6,6](C[6,6]C[6]2H)2(CHHS)(NC)	C(B[6,6]C[6,6]2N)(SCC)(H)2	N(B[6,6]C[6,6]2C)(CC)	B[6,6](C[6,6]C[6]2H)2(CHHS)(NC){2|C<4>,8|H<1>}	C(B[6,6]C[6,6]2N)(SCC)(H)2	N(B[6,6]C[6,6]2C)(CC)	104.4217	0.103	3	104.4217	0.011	3	104.4217	0.011	3	104.4217	0.011	3	104.4217	0.011	3	104.4217	0.011	3
874	542	542	0:SP3_SP2_SP2	B[6,6]	N[5]	N[5]	4:4:3:3:	4:3:3:	4:3:3:	C[6,6]-4:C[6,6]-4:N[5]-3:N[5]-3:	B[6,6]-4:C[5]-3:C[5]-3:	B[6,6]-4:C[5]-3:C[5]-3:	B[6,6](C[6,6]C[6]2H)2(N[5]C[5]2)2	N[5](B[6,6]C[6,6]2N[5])(C[5]C[5]H)(C[5]N[5]H)	N[5](B[6,6]C[6,6]2N[5])(C[5]C[5]H)(C[5]N[5]H)	B[6,6](C[6,6]C[6]2H)2(N[5]C[5]2)2{12|H<1>,2|C<3>,2|C<4>,2|N<3>}	N[5](B[6,6]C[6,6]2N[5])(C[5]C[5]H)(C[5]N[5]H){2|C<3>,3|H<1>,5|C<4>}	N[5](B[6,6]C[6,6]2N[5])(C[5]C[5]H)(C[5]N[5]H){2|C<3>,3|H<1>,5|C<4>}	102.4513	0.606	3	102.4513	0.367	3	101.8503	1.690	4	101.9267	1.949	10	102.0593	1.948	11	103.6044	10.729	15
874	542	542	0:SP3_SP2_SP2	B[6,6]	N[5]	N[5]	4:4:3:3:	4:3:3:	4:3:3:	C[6,6]-4:C[6,6]-4:N[5]-3:N[5]-3:	B[6,6]-4:C[5]-3:C[5]-3:	B[6,6]-4:C[5]-3:C[5]-3:	B[6,6](C[6,6]C[6]2H)2(N[5]C[5]2)2	N[5](B[6,6]C[6,6]2N[5])(C[5]C[5]H)(C[5]N[5]S)	N[5](B[6,6]C[6,6]2N[5])(C[5]C[5]H)(C[5]N[5]S)	B[6,6](C[6,6]C[6]2H)2(N[5]C[5]2)2{10|H<1>,2|C<3>,2|C<4>,2|N<3>,2|S<2>}	N[5](B[6,6]C[6,6]2N[5])(C[5]C[5]H)(C[5]N[5]S){2|C<3>,3|H<1>,5|C<4>}	N[5](B[6,6]C[6,6]2N[5])(C[5]C[5]H)(C[5]N[5]S){2|C<3>,3|H<1>,5|C<4>}	100.0470	0.000	1	100.0470	0.000	1	101.8503	1.690	4	101.9267	1.949	10	102.0593	1.948	11	103.6044	10.729	15
874	542	542	0:SP3_SP2_SP2	B[6,6]	N[5]	N[5]	4:4:3:3:	4:3:3:	4:3:3:	C[6,6]-4:C[6,6]-4:N[5]-3:N[5]-3:	B[6,6]-4:N[5]-3:C[5]-3:	B[6,6]-4:N[5]-3:C[5]-3:	B[6,6](C[6,6]C[6]2H)2(N[5]C[5]N[5])2	N[5](B[6,6]C[6,6]2N[5])(N[5]C[5]Cu)(C[5]C[5]H)	N[5](B[6,6]C[6,6]2N[5])(N[5]C[5]Cu)(C[5]C[5]H)	B[6,6](C[6,6]C[6]2H)2(N[5]C[5]N[5])2{10|H<1>,1|Cu<4>,2|C<4>,4|C<3>}	N[5](B[6,6]C[6,6]2N[5])(N[5]C[5]Cu)(C[5]C[5]H){1|C<3>,1|N<3>,4|C<4>,4|H<1>}	N[5](B[6,6]C[6,6]2N[5])(N[5]C[5]Cu)(C[5]C[5]H){1|C<3>,1|N<3>,4|C<4>,4|H<1>}	103.7250	0.000	1	103.7250	0.000	1	101.9778	2.487	6	101.9267	1.949	10	102.0593	1.948	11	103.6044	10.729	15
874	542	542	0:SP3_SP2_SP2	B[6,6]	N[5]	N[5]	4:4:3:3:	4:3:3:	4:3:3:	C[6,6]-4:C[6,6]-4:N[5]-3:N[5]-3:	B[6,6]-4:N[5]-3:C[5]-3:	B[6,6]-4:N[5]-3:C[5]-3:	B[6,6](C[6,6]C[6]2H)2(N[5]C[5]N[5])2	N[5](B[6,6]C[6,6]2N[5])(N[5]C[5]Ni)(C[5]C[5]C)	N[5](B[6,6]C[6,6]2N[5])(N[5]C[5]Ni)(C[5]C[5]H)	B[6,6](C[6,6]C[6]2H)2(N[5]C[5]N[5])2{1|Ni<5>,3|C<4>,4|C<3>,9|H<1>}	N[5](B[6,6]C[6,6]2N[5])(N[5]C[5]Ni)(C[5]C[5]C){1|C<3>,1|H<2>,1|N<3>,3|H<1>,4|C<4>}	N[5](B[6,6]C[6,6]2N[5])(N[5]C[5]Ni)(C[5]C[5]H){1|C<3>,1|H<2>,1|N<3>,2|H<1>,5|C<4>}	102.0480	0.000	1	102.0480	0.000	1	101.9778	2.487	6	101.9267	1.949	10	102.0593	1.948	11	103.6044	10.729	15
874	542	542	0:SP3_SP2_SP2	B[6,6]	N[5]	N[5]	4:4:3:3:	4:3:3:	4:3:3:	C[6,6]-4:C[6,6]-4:N[5]-3:N[5]-3:	B[6,6]-4:N[5]-3:C[5]-3:	B[6,6]-4:N[5]-3:C[5]-3:	B[6,6](C[6,6]C[6]2H)2(N[5]C[5]N[5])2	N[5](B[6,6]C[6,6]2N[5])(N[5]C[5]Ni)(C[5]C[5]H)	N[5](B[6,6]C[6,6]2N[5])(N[5]C[5]Ni)(C[5]C[5]H)	B[6,6](C[6,6]C[6]2H)2(N[5]C[5]N[5])2{10|H<1>,1|Ni<4>,2|C<4>,4|C<3>}	N[5](B[6,6]C[6,6]2N[5])(N[5]C[5]Ni)(C[5]C[5]H){1|C<3>,1|N<3>,3|H<1>,5|C<4>}	N[5](B[6,6]C[6,6]2N[5])(N[5]C[5]Ni)(C[5]C[5]H){1|C<3>,1|N<3>,3|H<1>,5|C<4>}	99.4915	0.000	1	101.5234	2.850	4	101.9778	2.487	6	101.9267	1.949	10	102.0593	1.948	11	103.6044	10.729	15
874	542	542	0:SP3_SP2_SP2	B[6,6]	N[5]	N[5]	4:4:3:3:	4:3:3:	4:3:3:	C[6,6]-4:C[6,6]-4:N[5]-3:N[5]-3:	B[6,6]-4:N[5]-3:C[5]-3:	B[6,6]-4:N[5]-3:C[5]-3:	B[6,6](C[6,6]C[6]2H)2(N[5]C[5]N[5])2	N[5](B[6,6]C[6,6]2N[5])(N[5]C[5]Ni)(C[5]C[5]H)	N[5](B[6,6]C[6,6]2N[5])(N[5]C[5]Ni)(C[5]C[5]H)	B[6,6](C[6,6]C[6]2H)2(N[5]C[5]N[5])2{10|H<1>,1|Ni<4>,2|C<4>,4|C<3>}	N[5](B[6,6]C[6,6]2N[5])(N[5]C[5]Ni)(C[5]C[5]H){1|C<3>,1|N<3>,4|C<4>,4|H<1>}	N[5](B[6,6]C[6,6]2N[5])(N[5]C[5]Ni)(C[5]C[5]H){1|C<3>,1|N<3>,4|C<4>,4|H<1>}	100.7970	0.000	1	101.5234	2.850	4	101.9778	2.487	6	101.9267	1.949	10	102.0593	1.948	11	103.6044	10.729	15
874	542	542	0:SP3_SP2_SP2	B[6,6]	N[5]	N[5]	4:4:3:3:	4:3:3:	4:3:3:	C[6,6]-4:C[6,6]-4:N[5]-3:N[5]-3:	B[6,6]-4:N[5]-3:C[5]-3:	B[6,6]-4:N[5]-3:C[5]-3:	B[6,6](C[6,6]C[6]2H)2(N[5]C[5]N[5])2	N[5](B[6,6]C[6,6]2N[5])(N[5]C[5]Ni)(C[5]C[5]H)	N[5](B[6,6]C[6,6]2N[5])(N[5]C[5]Ni)(C[5]C[5]H)	B[6,6](C[6,6]C[6]2H)2(N[5]C[5]N[5])2{10|H<1>,1|Ni<5>,2|C<4>,4|C<3>}	N[5](B[6,6]C[6,6]2N[5])(N[5]C[5]Ni)(C[5]C[5]H){1|C<3>,1|N<3>,3|H<1>,5|C<4>}	N[5](B[6,6]C[6,6]2N[5])(N[5]C[5]Ni)(C[5]C[5]H){1|C<3>,1|N<3>,3|H<1>,5|C<4>}	102.9025	0.302	2	101.5234	2.850	4	101.9778	2.487	6	101.9267	1.949	10	102.0593	1.948	11	103.6044	10.729	15
874	542	542	0:SP3_SP2_SP2	B[6,6]	N[5]	N[5]	4:4:3:3:	4:4:3:	4:3:3:	C[6,6]-4:C[6,6]-4:N[5]-3:N[5]-3:	B[6,6]-4:C[5]-4:C[5]-3:	B[6,6]-4:C[5]-3:C[5]-3:	B[6,6](C[6,6]C[6]2H)2(N[5]C[5]2)2	N[5](B[6,6]C[6,6]2N[5])(C[5]C[5]HH)(C[5]N[5]H)	N[5](B[6,6]C[6,6]2N[5])(C[5]C[5]H)(C[5]N[5]H)	B[6,6](C[6,6]C[6]2H)2(N[5]C[5]2)2{12|H<1>,2|C<3>,2|C<4>,2|N<3>}	N[5](B[6,6]C[6,6]2N[5])(C[5]C[5]HH)(C[5]N[5]H){3|C<3>,3|H<1>,4|C<4>}	N[5](B[6,6]C[6,6]2N[5])(C[5]C[5]H)(C[5]N[5]H){2|C<3>,3|H<1>,5|C<4>}	103.3850	0.000	1	103.3850	0.000	1	103.3850	0.000	1	103.3850	0.000	1	102.0593	1.948	11	103.6044	10.729	15
874	542	542	0:SP3_SP2_SP2	B[6]	N[5,6]	N[5]	3:3:3:1:	3:4:3:	3:4:3:	N[5,6]-3:N[5,6]-3:N[5]-3:H-1:	C[5,6a]-3:B[6]-4:C[5,6]-3:	C[5,6a]-3:B[6]-4:C[5]-3:	B[6](N[5,6]C[5,6a]C[5,6])2(N[5]C[5,6a]C[5])(H)	N[5,6](C[5,6a]C[5,6a]C[6a])(B[6]N[5,6]N[5]H)(C[5,6]S[5]S[6])	N[5](C[5,6a]C[5,6a]C[6a])(B[6]N[5,6]2H)(C[5]S[5]S)	B[6](N[5,6]C[5,6a]C[5,6])2(N[5]C[5,6a]C[5])(H){1|S<1>,4|S<2>,6|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(B[6]N[5,6]N[5]H)(C[5,6]S[5]S[6]){1|H<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(B[6]N[5,6]2H)(C[5]S[5]S){1|H<1>,6|C<3>}	110.6620	0.680	2	110.6620	0.463	2	110.6620	0.463	2	110.6620	0.463	2	110.6620	0.463	2	103.6044	10.729	15
874	542	542	0:SP3_SP2_SP2	B[6]	N[5]	N[5]	3:3:3:3:	4:3:3:	4:3:3:	C[6]-3:C[6]-3:N[5]-3:N[5]-3:	B[6]-4:C[5]-3:C[5]-3:	B[6]-4:C[5]-3:C[5]-3:	B[6](C[6]C[6]Si)(C[6]C[6]H)(N[5]C[5]2)2	N[5](B[6]C[6]2N[5])(C[5]C[5]H)(C[5]N[5]H)	N[5](B[6]C[6]2N[5])(C[5]C[5]H)(C[5]N[5]H)	B[6](C[6]C[6]Si)(C[6]C[6]H)(N[5]C[5]2)2{1|C<4>,2|C<3>,2|N<3>,6|H<1>}	N[5](B[6]C[6]2N[5])(C[5]C[5]H)(C[5]N[5]H){1|Si<4>,1|C<4>,2|H<1>,4|C<3>}	N[5](B[6]C[6]2N[5])(C[5]C[5]H)(C[5]N[5]H){1|Si<4>,1|C<4>,2|H<1>,4|C<3>}	105.0445	0.494	2	105.0445	0.244	2	105.0445	0.244	2	105.0445	0.244	2	105.0445	0.244	2	103.6044	10.729	15
874	542	542	6:SP3_SP2_SP2	B[3x6]	N[5,6,6]	N[5,6,6]	3:3:3:1:	3:3:4:	3:3:4:	N[5,6,6]-3:N[5,6,6]-3:N[5,6,6]-3:H-1:	N[5,6,6]-3:C[5,6a]-3:B[3x6]-4:	N[5,6,6]-3:C[5,6a]-3:B[3x6]-4:	B[3x6](N[5,6,6]N[5,6,6]C[5,6a])3(H)	N[5,6,6](N[5,6,6]Nb[3,3x6]C[5])(C[5,6a]C[5,6a]C[6a])(B[3x6]N[5,6,6]2H)	N[5,6,6](N[5,6,6]Nb[3,3x6]C[5])(C[5,6a]C[5,6a]C[6a])(B[3x6]N[5,6,6]2H)	B[3x6](N[5,6,6]N[5,6,6]C[5,6a])3(H){1|Nb<7>,9|C<3>}	N[5,6,6](N[5,6,6]Nb[3,3x6]C[5])(C[5,6a]C[5,6a]C[6a])(B[3x6]N[5,6,6]2H){2|Cl<1>,1|C<4>,1|H<1>,2|N<3>,6|C<3>}	N[5,6,6](N[5,6,6]Nb[3,3x6]C[5])(C[5,6a]C[5,6a]C[6a])(B[3x6]N[5,6,6]2H){2|Cl<1>,1|C<4>,1|H<1>,2|N<3>,6|C<3>}	109.6287	0.712	3	109.6287	0.506	3	109.6287	0.506	3	109.6287	0.506	3	108.0922	7.262	49	106.7015	7.497	92
874	542	542	6:SP3_SP2_SP2	B[3x6]	N[5,6,6]	N[5,6,6]	3:3:3:1:	3:4:3:	3:4:3:	N[5,6,6]-3:N[5,6,6]-3:N[5,6,6]-3:H-1:	N[5,6,6]-3:B[3x6]-4:C[5]-3:	N[5,6,6]-3:B[3x6]-4:C[5]-3:	B[3x6](N[5,6,6]N[5,6,6]C[5])3(H)	N[5,6,6](N[5,6,6]B[3x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]H)	N[5,6,6](N[5,6,6]B[3x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]H)	B[3x6](N[5,6,6]N[5,6,6]C[5])3(H){1|B<4>,3|H<1>,6|C<3>}	N[5,6,6](N[5,6,6]B[3x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]H){2|H<1>,2|N<3>,3|C<3>}	N[5,6,6](N[5,6,6]B[3x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]H){2|H<1>,2|N<3>,3|C<3>}	103.7225	1.470	2	103.7225	2.161	2	109.0175	2.755	38	109.0175	2.755	38	108.0922	7.262	49	106.7015	7.497	92
874	542	542	6:SP3_SP2_SP2	B[3x6]	N[5,6,6]	N[5,6,6]	3:3:3:1:	3:4:3:	3:4:3:	N[5,6,6]-3:N[5,6,6]-3:N[5,6,6]-3:H-1:	N[5,6,6]-3:B[3x6]-4:C[5]-3:	N[5,6,6]-3:B[3x6]-4:C[5]-3:	B[3x6](N[5,6,6]N[5,6,6]C[5])3(H)	N[5,6,6](N[5,6,6]Ge[3x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]C)	N[5,6,6](N[5,6,6]Ge[3x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]C)	B[3x6](N[5,6,6]N[5,6,6]C[5])3(H){1|Ge<6>,3|C<4>,6|C<3>}	N[5,6,6](N[5,6,6]Ge[3x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]C){1|C<4>,1|H<1>,2|C<3>,2|N<3>,3|N<2>}	N[5,6,6](N[5,6,6]Ge[3x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]C){1|C<4>,1|H<1>,2|C<3>,2|N<3>,3|N<2>}	107.4593	0.182	3	107.4593	0.033	3	109.0175	2.755	38	109.0175	2.755	38	108.0922	7.262	49	106.7015	7.497	92
874	542	542	6:SP3_SP2_SP2	B[3x6]	N[5,6,6]	N[5,6,6]	3:3:3:1:	3:4:3:	3:4:3:	N[5,6,6]-3:N[5,6,6]-3:N[5,6,6]-3:H-1:	N[5,6,6]-3:B[3x6]-4:C[5]-3:	N[5,6,6]-3:B[3x6]-4:C[5]-3:	B[3x6](N[5,6,6]N[5,6,6]C[5])3(H)	N[5,6,6](N[5,6,6]In[4x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]C)	N[5,6,6](N[5,6,6]In[4x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]C)	B[3x6](N[5,6,6]N[5,6,6]C[5])3(H){1|In<6>,3|C<4>,6|C<3>}	N[5,6,6](N[5,6,6]In[4x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]C){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>,2|N<3>,2|O<2>}	N[5,6,6](N[5,6,6]In[4x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]C){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>,2|N<3>,2|O<2>}	109.6240	1.206	3	109.6240	1.455	3	109.0175	2.755	38	109.0175	2.755	38	108.0922	7.262	49	106.7015	7.497	92
874	542	542	6:SP3_SP2_SP2	B[3x6]	N[5,6,6]	N[5,6,6]	3:3:3:1:	3:4:3:	3:4:3:	N[5,6,6]-3:N[5,6,6]-3:N[5,6,6]-3:H-1:	N[5,6,6]-3:B[3x6]-4:C[5]-3:	N[5,6,6]-3:B[3x6]-4:C[5]-3:	B[3x6](N[5,6,6]N[5,6,6]C[5])3(H)	N[5,6,6](N[5,6,6]Nb[3,3,3x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]C)	N[5,6,6](N[5,6,6]Nb[3,3,3x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]C)	B[3x6](N[5,6,6]N[5,6,6]C[5])3(H){1|Nb<8>,3|C<4>,6|C<3>}	N[5,6,6](N[5,6,6]Nb[3,3,3x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]C){1|C<2>,1|C<4>,1|H<1>,2|N<3>,6|C<3>}	N[5,6,6](N[5,6,6]Nb[3,3,3x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]C){1|C<2>,1|C<4>,1|H<1>,2|N<3>,6|C<3>}	109.3790	1.810	3	109.6112	1.388	6	109.0175	2.755	38	109.0175	2.755	38	108.0922	7.262	49	106.7015	7.497	92
874	542	542	6:SP3_SP2_SP2	B[3x6]	N[5,6,6]	N[5,6,6]	3:3:3:1:	3:4:3:	3:4:3:	N[5,6,6]-3:N[5,6,6]-3:N[5,6,6]-3:H-1:	N[5,6,6]-3:B[3x6]-4:C[5]-3:	N[5,6,6]-3:B[3x6]-4:C[5]-3:	B[3x6](N[5,6,6]N[5,6,6]C[5])3(H)	N[5,6,6](N[5,6,6]Nb[3,3,3x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]C)	N[5,6,6](N[5,6,6]Nb[3,3,3x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]C)	B[3x6](N[5,6,6]N[5,6,6]C[5])3(H){1|Nb<8>,3|C<4>,6|C<3>}	N[5,6,6](N[5,6,6]Nb[3,3,3x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]C){1|H<1>,3|C<4>,3|N<3>,4|C<3>}	N[5,6,6](N[5,6,6]Nb[3,3,3x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]C){1|H<1>,3|C<4>,3|N<3>,4|C<3>}	109.8433	0.182	3	109.6112	1.388	6	109.0175	2.755	38	109.0175	2.755	38	108.0922	7.262	49	106.7015	7.497	92
874	542	542	6:SP3_SP2_SP2	B[3x6]	N[5,6,6]	N[5,6,6]	3:3:3:1:	3:4:3:	3:4:3:	N[5,6,6]-3:N[5,6,6]-3:N[5,6,6]-3:H-1:	N[5,6,6]-3:B[3x6]-4:C[5]-3:	N[5,6,6]-3:B[3x6]-4:C[5]-3:	B[3x6](N[5,6,6]N[5,6,6]C[5])3(H)	N[5,6,6](N[5,6,6]Nb[3,3x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]C)	N[5,6,6](N[5,6,6]Nb[3,3x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]C)	B[3x6](N[5,6,6]N[5,6,6]C[5])3(H){1|Nb<7>,3|C<4>,6|C<3>}	N[5,6,6](N[5,6,6]Nb[3,3x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]C){1|C<2>,1|H<1>,2|C<4>,2|N<3>,4|C<3>}	N[5,6,6](N[5,6,6]Nb[3,3x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]C){1|C<2>,1|H<1>,2|C<4>,2|N<3>,4|C<3>}	109.2003	0.711	3	109.4444	0.910	15	109.0175	2.755	38	109.0175	2.755	38	108.0922	7.262	49	106.7015	7.497	92
874	542	542	6:SP3_SP2_SP2	B[3x6]	N[5,6,6]	N[5,6,6]	3:3:3:1:	3:4:3:	3:4:3:	N[5,6,6]-3:N[5,6,6]-3:N[5,6,6]-3:H-1:	N[5,6,6]-3:B[3x6]-4:C[5]-3:	N[5,6,6]-3:B[3x6]-4:C[5]-3:	B[3x6](N[5,6,6]N[5,6,6]C[5])3(H)	N[5,6,6](N[5,6,6]Nb[3,3x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]C)	N[5,6,6](N[5,6,6]Nb[3,3x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]C)	B[3x6](N[5,6,6]N[5,6,6]C[5])3(H){1|Nb<7>,3|C<4>,6|C<3>}	N[5,6,6](N[5,6,6]Nb[3,3x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]C){1|C<4>,1|H<1>,2|N<3>,6|C<3>}	N[5,6,6](N[5,6,6]Nb[3,3x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]C){1|C<4>,1|H<1>,2|N<3>,6|C<3>}	109.4413	1.598	3	109.4444	0.910	15	109.0175	2.755	38	109.0175	2.755	38	108.0922	7.262	49	106.7015	7.497	92
874	542	542	6:SP3_SP2_SP2	B[3x6]	N[5,6,6]	N[5,6,6]	3:3:3:1:	3:4:3:	3:4:3:	N[5,6,6]-3:N[5,6,6]-3:N[5,6,6]-3:H-1:	N[5,6,6]-3:B[3x6]-4:C[5]-3:	N[5,6,6]-3:B[3x6]-4:C[5]-3:	B[3x6](N[5,6,6]N[5,6,6]C[5])3(H)	N[5,6,6](N[5,6,6]Nb[3,3x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]C)	N[5,6,6](N[5,6,6]Nb[3,3x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]C)	B[3x6](N[5,6,6]N[5,6,6]C[5])3(H){1|Nb<7>,3|C<4>,6|C<3>}	N[5,6,6](N[5,6,6]Nb[3,3x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]C){1|H<1>,2|C<4>,2|N<3>,5|C<3>}	N[5,6,6](N[5,6,6]Nb[3,3x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]C){1|H<1>,2|C<4>,2|N<3>,5|C<3>}	109.4198	0.847	6	109.4444	0.910	15	109.0175	2.755	38	109.0175	2.755	38	108.0922	7.262	49	106.7015	7.497	92
874	542	542	6:SP3_SP2_SP2	B[3x6]	N[5,6,6]	N[5,6,6]	3:3:3:1:	3:4:3:	3:4:3:	N[5,6,6]-3:N[5,6,6]-3:N[5,6,6]-3:H-1:	N[5,6,6]-3:B[3x6]-4:C[5]-3:	N[5,6,6]-3:B[3x6]-4:C[5]-3:	B[3x6](N[5,6,6]N[5,6,6]C[5])3(H)	N[5,6,6](N[5,6,6]Nb[3,3x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]C)	N[5,6,6](N[5,6,6]Nb[3,3x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]C)	B[3x6](N[5,6,6]N[5,6,6]C[5])3(H){1|Nb<7>,3|C<4>,6|C<3>}	N[5,6,6](N[5,6,6]Nb[3,3x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]C){1|H<1>,2|N<3>,3|C<4>,4|C<3>}	N[5,6,6](N[5,6,6]Nb[3,3x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]C){1|H<1>,2|N<3>,3|C<4>,4|C<3>}	109.7407	1.136	3	109.4444	0.910	15	109.0175	2.755	38	109.0175	2.755	38	108.0922	7.262	49	106.7015	7.497	92
874	542	542	6:SP3_SP2_SP2	B[3x6]	N[5,6,6]	N[5,6,6]	3:3:3:1:	3:4:3:	3:4:3:	N[5,6,6]-3:N[5,6,6]-3:N[5,6,6]-3:H-1:	N[5,6,6]-3:B[3x6]-4:C[5]-3:	N[5,6,6]-3:B[3x6]-4:C[5]-3:	B[3x6](N[5,6,6]N[5,6,6]C[5])3(H)	N[5,6,6](N[5,6,6]Nb[3x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]C)	N[5,6,6](N[5,6,6]Nb[3x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]C)	B[3x6](N[5,6,6]N[5,6,6]C[5])3(H){1|Nb<6>,3|C<4>,6|C<3>}	N[5,6,6](N[5,6,6]Nb[3x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]C){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>,2|C<4>,2|N<3>}	N[5,6,6](N[5,6,6]Nb[3x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]C){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>,2|C<4>,2|N<3>}	109.5195	1.071	6	109.5195	1.148	6	109.0175	2.755	38	109.0175	2.755	38	108.0922	7.262	49	106.7015	7.497	92
874	542	542	6:SP3_SP2_SP2	B[3x6]	N[5,6,6]	N[5,6,6]	3:3:3:1:	3:4:3:	3:4:3:	N[5,6,6]-3:N[5,6,6]-3:N[5,6,6]-3:H-1:	N[5,6,6]-3:B[3x6]-4:C[5]-3:	N[5,6,6]-3:B[3x6]-4:C[5]-3:	B[3x6](N[5,6,6]N[5,6,6]C[5])3(H)	N[5,6,6](N[5,6,6]Nb[4x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]C)	N[5,6,6](N[5,6,6]Nb[4x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]C)	B[3x6](N[5,6,6]N[5,6,6]C[5])3(H){1|Nb<6>,3|C<4>,6|C<3>}	N[5,6,6](N[5,6,6]Nb[4x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]C){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|N<3>,3|C<3>}	N[5,6,6](N[5,6,6]Nb[4x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]C){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|N<3>,3|C<3>}	109.1737	0.490	3	109.1737	0.240	3	109.0175	2.755	38	109.0175	2.755	38	108.0922	7.262	49	106.7015	7.497	92
874	542	542	6:SP3_SP2_SP2	B[3x6]	N[5,6,6]	N[5,6,6]	3:3:3:3:	4:3:3:	4:3:3:	N[5,6,6]-3:N[5,6,6]-3:N[5,6,6]-3:C[6a]-3:	B[3x6]-4:N[5,6,6]-3:C[5]-3:	B[3x6]-4:N[5,6,6]-3:C[5]-3:	B[3x6](N[5,6,6]N[5,6,6]C[5])3(C[6a]C[6a]2)	N[5,6,6](B[3x6]N[5,6,6]2C[6a])(N[5,6,6]B[3x6]C[5])(C[5]C[5]H)	N[5,6,6](B[3x6]N[5,6,6]2C[6a])(N[5,6,6]B[3x6]C[5])(C[5]C[5]H)	B[3x6](N[5,6,6]N[5,6,6]C[5])3(C[6a]C[6a]2){1|B<4>,5|H<1>,8|C<3>}	N[5,6,6](B[3x6]N[5,6,6]2C[6a])(N[5,6,6]B[3x6]C[5])(C[5]C[5]H){2|H<1>,2|N<3>,5|C<3>}	N[5,6,6](B[3x6]N[5,6,6]2C[6a])(N[5,6,6]B[3x6]C[5])(C[5]C[5]H){2|H<1>,2|N<3>,5|C<3>}	103.2187	0.815	6	103.1210	1.191	8	103.1210	1.191	8	103.1210	1.191	8	108.0922	7.262	49	106.7015	7.497	92
874	542	542	6:SP3_SP2_SP2	B[3x6]	N[5,6,6]	N[5,6,6]	3:3:3:3:	4:3:3:	4:3:3:	N[5,6,6]-3:N[5,6,6]-3:N[5,6,6]-3:C[6a]-3:	B[3x6]-4:N[5,6,6]-3:C[5]-3:	B[3x6]-4:N[5,6,6]-3:C[5]-3:	B[3x6](N[5,6,6]N[5,6,6]C[5])3(C[6a]C[6a]2)	N[5,6,6](B[3x6]N[5,6,6]2C[6a])(N[5,6,6]B[3x6]C[5])(C[5]C[5]H)	N[5,6,6](B[3x6]N[5,6,6]2C[6a])(N[5,6,6]B[3x6]C[5])(C[5]C[5]H)	B[3x6](N[5,6,6]N[5,6,6]C[5])3(C[6a]C[6a]2){1|B<4>,5|H<1>,8|C<3>}	N[5,6,6](B[3x6]N[5,6,6]2C[6a])(N[5,6,6]B[3x6]C[5])(C[5]C[5]H){2|N<3>,3|H<1>,4|C<3>}	N[5,6,6](B[3x6]N[5,6,6]2C[6a])(N[5,6,6]B[3x6]C[5])(C[5]C[5]H){2|N<3>,3|H<1>,4|C<3>}	102.8280	2.188	2	103.1210	1.191	8	103.1210	1.191	8	103.1210	1.191	8	108.0922	7.262	49	106.7015	7.497	92
874	542	542	6:SP3_SP2_SP2	B[6]	N[5,6]	N[5,6]	3:3:1:1:	3:3:4:	3:4:3:	N[5,6]-3:N[5,6]-3:F-1:F-1:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6]-3:B[6]-4:C[5]-3:	B[6](N[5,6]C[5,6a]C[5,6])(N[5,6]C[5,6]C[5])(F)2	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(B[6]N[5,6]FF)	N[5,6](C[5,6]C[5,6a]C[6])(B[6]N[5,6]FF)(C[5]C[5,6a]O)	B[6](N[5,6]C[5,6a]C[5,6])(N[5,6]C[5,6]C[5])(F)2{1|N<3>,1|O<1>,5|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(B[6]N[5,6]FF){1|C<2>,2|H<1>,4|C<3>}	N[5,6](C[5,6]C[5,6a]C[6])(B[6]N[5,6]FF)(C[5]C[5,6a]O){1|C<2>,4|C<3>}	104.7950	0.000	1	104.7950	0.000	1	105.1500	2.194	4	105.1500	2.194	4	105.1167	3.114	43	106.7015	7.497	92
874	542	542	6:SP3_SP2_SP2	B[6]	N[5,6]	N[5,6]	3:3:1:1:	3:3:4:	3:4:3:	N[5,6]-3:N[5,6]-3:F-1:F-1:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6]-3:B[6]-4:C[5]-3:	B[6](N[5,6]C[5,6a]C[5,6])(N[5,6]C[5,6]C[5])(F)2	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]N[5,6]FF)	N[5,6](C[5,6]C[5,6a]C[6])(B[6]N[5,6]FF)(C[5]C[5,6a]O)	B[6](N[5,6]C[5,6a]C[5,6])(N[5,6]C[5,6]C[5])(F)2{1|O<1>,1|S<2>,5|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]N[5,6]FF){1|C<2>,1|H<1>,4|C<3>}	N[5,6](C[5,6]C[5,6a]C[6])(B[6]N[5,6]FF)(C[5]C[5,6a]O){1|C<2>,4|C<3>}	105.7070	0.000	1	106.2530	0.596	2	105.1500	2.194	4	105.1500	2.194	4	105.1167	3.114	43	106.7015	7.497	92
874	542	542	6:SP3_SP2_SP2	B[6]	N[5,6]	N[5,6]	3:3:1:1:	3:3:4:	3:4:3:	N[5,6]-3:N[5,6]-3:F-1:F-1:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6]-3:B[6]-4:C[5]-3:	B[6](N[5,6]C[5,6a]C[5,6])(N[5,6]C[5,6]C[5])(F)2	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]N[5,6]FF)	N[5,6](C[5,6]C[5,6a]C[6])(B[6]N[5,6]FF)(C[5]C[5,6a]O)	B[6](N[5,6]C[5,6a]C[5,6])(N[5,6]C[5,6]C[5])(F)2{1|O<1>,1|S<2>,5|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]N[5,6]FF){2|H<1>,4|C<3>}	N[5,6](C[5,6]C[5,6a]C[6])(B[6]N[5,6]FF)(C[5]C[5,6a]O){1|H<1>,4|C<3>}	106.7990	0.000	1	106.2530	0.596	2	105.1500	2.194	4	105.1500	2.194	4	105.1167	3.114	43	106.7015	7.497	92
874	542	542	6:SP3_SP2_SP2	B[6]	N[5,6]	N[5,6]	3:3:1:1:	3:3:4:	3:4:3:	N[5,6]-3:N[5,6]-3:F-1:F-1:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6]-3:B[6]-4:C[5]-3:	B[6](N[5,6]C[5,6a]C[5,6])(N[5,6]C[5,6]C[5])(F)2	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6])(B[6]N[5,6]FF)	N[5,6](C[5,6]C[5,6a]N[6])(B[6]N[5,6]FF)(C[5]C[5,6a]O)	B[6](N[5,6]C[5,6a]C[5,6])(N[5,6]C[5,6]C[5])(F)2{1|N<2>,1|N<3>,1|O<1>,4|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6])(B[6]N[5,6]FF){2|H<1>,4|C<3>}	N[5,6](C[5,6]C[5,6a]N[6])(B[6]N[5,6]FF)(C[5]C[5,6a]O){4|C<3>}	103.2990	0.000	1	103.2990	0.000	1	105.1500	2.194	4	105.1500	2.194	4	105.1167	3.114	43	106.7015	7.497	92
874	542	542	6:SP3_SP2_SP2	B[6]	N[5,6]	N[5,6]	3:3:1:1:	3:4:2:	3:4:3:	N[5,6]-3:N[5,6]-3:F-1:F-1:	N[5,6]-3:B[6]-4:C[5]-2:	N[5,6]-3:B[6]-4:C[5]-3:	B[6](N[5,6]N[5,6]C[5])2(F)2	N[5,6](N[5,6]B[6]C[5])(B[6]N[5,6]FF)(C[5]C[5])	N[5,6](N[5,6]B[6]C[5])(B[6]N[5,6]FF)(C[5]C[5]H)	B[6](N[5,6]N[5,6]C[5])2(F)2{1|B<4>,1|C<2>,1|H<1>,3|C<3>}	N[5,6](N[5,6]B[6]C[5])(B[6]N[5,6]FF)(C[5]C[5]){1|C<3>,1|H<1>,1|I<1>,1|N<3>,2|F<1>}	N[5,6](N[5,6]B[6]C[5])(B[6]N[5,6]FF)(C[5]C[5]H){1|C<2>,1|I<1>,1|N<3>,2|F<1>}	104.1190	0.000	1	104.1190	0.000	1	104.1190	0.000	1	104.1190	0.000	1	105.1167	3.114	43	106.7015	7.497	92
874	542	542	6:SP3_SP2_SP2	B[6]	N[5,6]	N[5,6]	3:3:1:1:	3:4:3:	3:4:2:	N[5,6]-3:N[5,6]-3:H-1:H-1:	N[5,6]-3:B[6]-4:C[5]-3:	N[5,6]-3:B[6]-4:C[5]-2:	B[6](N[5,6]N[5,6]C[5])2(H)2	N[5,6](N[5,6]B[6]C[5])(B[6]N[5,6]HH)(C[5]C[5]H)	N[5,6](N[5,6]B[6]C[5])(B[6]N[5,6]HH)(C[5]C[5])	B[6](N[5,6]N[5,6]C[5])2(H)2{1|B<4>,1|C<2>,1|H<1>,3|C<3>}	N[5,6](N[5,6]B[6]C[5])(B[6]N[5,6]HH)(C[5]C[5]H){1|C<2>,1|I<1>,1|N<3>,2|H<1>}	N[5,6](N[5,6]B[6]C[5])(B[6]N[5,6]HH)(C[5]C[5]){1|C<3>,1|I<1>,1|N<3>,3|H<1>}	103.9810	0.000	1	103.9810	0.000	1	103.9810	0.000	1	103.9810	0.000	1	105.1167	3.114	43	106.7015	7.497	92
874	542	542	6:SP3_SP2_SP2	B[6]	N[5,6]	N[5,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5,6]-3:N[5,6]-3:F-1:F-1:	N[5,6]-3:B[6]-4:C[5]-3:	N[5,6]-3:B[6]-4:C[5]-3:	B[6](N[5,6]N[5,6]C[5])2(F)2	N[5,6](N[5,6]B[6]C[5])(B[6]N[5,6]FF)(C[5]C[5]H)	N[5,6](N[5,6]B[6]C[5])(B[6]N[5,6]FF)(C[5]C[5]H)	B[6](N[5,6]N[5,6]C[5])2(F)2{1|B<4>,2|H<1>,4|C<3>}	N[5,6](N[5,6]B[6]C[5])(B[6]N[5,6]FF)(C[5]C[5]H){1|C<2>,1|C<3>,1|H<1>,1|N<3>,2|F<1>}	N[5,6](N[5,6]B[6]C[5])(B[6]N[5,6]FF)(C[5]C[5]H){1|C<2>,1|C<3>,1|H<1>,1|N<3>,2|F<1>}	107.7530	0.148	2	107.7530	0.022	2	107.7530	0.022	2	106.2002	3.227	4	105.1167	3.114	43	106.7015	7.497	92
874	542	542	6:SP3_SP2_SP2	B[6]	N[5,6]	N[5,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5,6]-3:N[5,6]-3:H-1:H-1:	N[5,6]-3:B[6]-4:C[5]-3:	N[5,6]-3:B[6]-4:C[5]-3:	B[6](N[5,6]N[5,6]C[5])2(H)2	N[5,6](N[5,6]B[6]C[5])(B[6]N[5,6]HH)(C[5]C[5]H)	N[5,6](N[5,6]B[6]C[5])(B[6]N[5,6]HH)(C[5]C[5]H)	B[6](N[5,6]N[5,6]C[5])2(H)2{1|B<4>,2|H<1>,4|C<3>}	N[5,6](N[5,6]B[6]C[5])(B[6]N[5,6]HH)(C[5]C[5]H){1|C<2>,1|C<3>,1|N<3>,3|H<1>}	N[5,6](N[5,6]B[6]C[5])(B[6]N[5,6]HH)(C[5]C[5]H){1|C<2>,1|C<3>,1|N<3>,3|H<1>}	104.6475	0.120	2	104.6475	0.014	2	104.6475	0.014	2	106.2002	3.227	4	105.1167	3.114	43	106.7015	7.497	92
874	542	542	6:SP3_SP2_SP2	B[6]	N[5,6]	N[5,6]	3:3:3:1:	3:4:3:	3:4:3:	N[5,6]-3:N[5,6]-3:N[5]-3:H-1:	C[5,6a]-3:B[6]-4:C[5,6]-3:	C[5,6a]-3:B[6]-4:C[5,6]-3:	B[6](N[5,6]C[5,6a]C[5,6])2(N[5]C[5,6a]C[5])(H)	N[5,6](C[5,6a]C[5,6a]C[6a])(B[6]N[5,6]N[5]H)(C[5,6]S[5]S[6])	N[5,6](C[5,6a]C[5,6a]C[6a])(B[6]N[5,6]N[5]H)(C[5,6]S[5]S[6])	B[6](N[5,6]C[5,6a]C[5,6])2(N[5]C[5,6a]C[5])(H){1|S<1>,4|S<2>,6|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(B[6]N[5,6]N[5]H)(C[5,6]S[5]S[6]){1|H<1>,6|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(B[6]N[5,6]N[5]H)(C[5,6]S[5]S[6]){1|H<1>,6|C<3>}	108.2060	0.000	1	108.2060	0.000	1	108.2060	0.000	1	108.2060	0.000	1	105.1167	3.114	43	106.7015	7.497	92
874	542	542	6:SP3_SP2_SP2	B[6]	N[5,6]	N[5,6]	3:3:3:1:	4:3:3:	4:3:3:	N[5,6]-3:N[5,6]-3:N[5a]-3:H-1:	B[6]-4:N[5,6]-3:C[5]-3:	B[6]-4:N[5,6]-3:C[5]-3:	B[6](N[5,6]N[5,6]C[5])2(N[5a]C[5a]N[5a])(H)	N[5,6](B[6]N[5,6]N[5a]H)(N[5,6]B[6]C[5])(C[5]C[5]H)	N[5,6](B[6]N[5,6]N[5a]H)(N[5,6]B[6]C[5])(C[5]C[5]H)	B[6](N[5,6]N[5,6]C[5])2(N[5a]C[5a]N[5a])(H){1|B<4>,3|H<1>,6|C<3>}	N[5,6](B[6]N[5,6]N[5a]H)(N[5,6]B[6]C[5])(C[5]C[5]H){1|N<2>,2|C<3>,2|N<3>,3|H<1>}	N[5,6](B[6]N[5,6]N[5a]H)(N[5,6]B[6]C[5])(C[5]C[5]H){1|N<2>,2|C<3>,2|N<3>,3|H<1>}	105.7615	0.713	2	105.7615	0.509	2	105.8580	0.188	4	105.8580	0.188	4	105.1167	3.114	43	106.7015	7.497	92
874	542	542	6:SP3_SP2_SP2	B[6]	N[5,6]	N[5,6]	3:3:3:1:	4:3:3:	4:3:3:	N[5,6]-3:N[5,6]-3:N[5a]-3:H-1:	B[6]-4:N[5,6]-3:C[5]-3:	B[6]-4:N[5,6]-3:C[5]-3:	B[6](N[5,6]N[5,6]C[5])2(N[5a]C[5a]N[5a])(H)	N[5,6](B[6]N[5,6]N[5a]H)(N[5,6]B[6]C[5])(C[5]C[6a]C[5])	N[5,6](B[6]N[5,6]N[5a]H)(N[5,6]B[6]C[5])(C[5]C[5]H)	B[6](N[5,6]N[5,6]C[5])2(N[5a]C[5a]N[5a])(H){1|B<4>,2|H<1>,7|C<3>}	N[5,6](B[6]N[5,6]N[5a]H)(N[5,6]B[6]C[5])(C[5]C[6a]C[5]){1|N<2>,2|N<3>,3|H<1>,4|C<3>}	N[5,6](B[6]N[5,6]N[5a]H)(N[5,6]B[6]C[5])(C[5]C[5]H){1|N<2>,2|H<1>,2|N<3>,3|C<3>}	105.9545	0.128	2	105.9545	0.016	2	105.8580	0.188	4	105.8580	0.188	4	105.1167	3.114	43	106.7015	7.497	92
874	542	542	6:SP3_SP2_SP2	B[6]	N[5,6]	N[5,6]	3:3:3:2:	4:3:3:	4:3:3:	N[5,6]-3:N[5,6]-3:C[6a]-3:O-2:	B[6]-4:N[5,6]-3:C[5]-3:	B[6]-4:N[5,6]-3:C[5]-3:	B[6](N[5,6]N[5,6]C[5])2(C[6a]C[6a]2)(OC)	N[5,6](B[6]N[5,6]C[6a]O)(N[5,6]B[6]C[5])(C[5]C[5]H)	N[5,6](B[6]N[5,6]C[6a]O)(N[5,6]B[6]C[5])(C[5]C[5]H)	B[6](N[5,6]N[5,6]C[5])2(C[6a]C[6a]2)(OC){1|B<4>,4|H<1>,6|C<3>}	N[5,6](B[6]N[5,6]C[6a]O)(N[5,6]B[6]C[5])(C[5]C[5]H){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	N[5,6](B[6]N[5,6]C[6a]O)(N[5,6]B[6]C[5])(C[5]C[5]H){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	103.9937	0.865	7	103.9937	0.748	7	103.9937	0.748	7	104.2819	0.888	9	105.1167	3.114	43	106.7015	7.497	92
874	542	542	6:SP3_SP2_SP2	B[6]	N[5,6]	N[5,6]	3:3:3:2:	4:3:3:	4:3:3:	N[5,6]-3:N[5,6]-3:N[5a]-3:O-2:	B[6]-4:N[5,6]-3:C[5]-3:	B[6]-4:N[5,6]-3:C[5]-3:	B[6](N[5,6]N[5,6]C[5])2(N[5a]C[5a]N[5a])(OB[6])	N[5,6](B[6]N[5,6]N[5a]O)(N[5,6]B[6]C[5])(C[5]C[5]H)	N[5,6](B[6]N[5,6]N[5a]O)(N[5,6]B[6]C[5])(C[5]C[5]H)	B[6](N[5,6]N[5,6]C[5])2(N[5a]C[5a]N[5a])(OB[6]){1|B<4>,3|H<1>,6|C<3>}	N[5,6](B[6]N[5,6]N[5a]O)(N[5,6]B[6]C[5])(C[5]C[5]H){1|N<2>,1|O<2>,2|C<3>,2|H<1>,2|N<3>}	N[5,6](B[6]N[5,6]N[5a]O)(N[5,6]B[6]C[5])(C[5]C[5]H){1|N<2>,1|O<2>,2|C<3>,2|H<1>,2|N<3>}	105.2905	0.069	2	105.2905	0.005	2	105.2905	0.005	2	104.2819	0.888	9	105.1167	3.114	43	106.7015	7.497	92
874	542	542	6:SP3_SP2_SP2	B[6]	N[5,6]	N[5,6]	3:3:3:3:	3:4:3:	3:4:3:	N[5,6]-3:N[5,6]-3:C[6a]-3:C[6a]-3:	C[5,6]-3:B[6]-4:C[5]-3:	C[5,6]-3:B[6]-4:C[5]-3:	B[6](N[5,6]C[5,6]C[5])2(C[6a]C[6a]2)2	N[5,6](C[5,6]C[5,6a]N[6])(B[6]N[5,6]C[6a]2)(C[5]C[5,6a]O)	N[5,6](C[5,6]C[5,6a]N[6])(B[6]N[5,6]C[6a]2)(C[5]C[5,6a]O)	B[6](N[5,6]C[5,6]C[5])2(C[6a]C[6a]2)2{1|N<2>,2|O<1>,4|H<1>,8|C<3>}	N[5,6](C[5,6]C[5,6a]N[6])(B[6]N[5,6]C[6a]2)(C[5]C[5,6a]O){8|C<3>}	N[5,6](C[5,6]C[5,6a]N[6])(B[6]N[5,6]C[6a]2)(C[5]C[5,6a]O){8|C<3>}	100.3700	0.000	1	100.3700	0.000	1	100.3700	0.000	1	100.3700	0.000	1	105.1167	3.114	43	106.7015	7.497	92
874	542	542	6:SP3_SP2_SP2	B[6]	N[5,6]	N[5,6]	3:3:3:3:	4:3:2:	4:3:2:	N[5,6]-3:N[5,6]-3:C[6a]-3:C[6a]-3:	B[6]-4:N[5,6]-3:N[5]-2:	B[6]-4:N[5,6]-3:N[5]-2:	B[6](N[5,6]N[5,6]N[5])2(C[6a]C[6a]2)2	N[5,6](B[6]N[5,6]C[6a]2)(N[5,6]B[6]C[5])(N[5]C[5])	N[5,6](B[6]N[5,6]C[6a]2)(N[5,6]B[6]C[5])(N[5]C[5])	B[6](N[5,6]N[5,6]N[5])2(C[6a]C[6a]2)2{1|B<4>,4|F<1>,8|C<3>}	N[5,6](B[6]N[5,6]C[6a]2)(N[5,6]B[6]C[5])(N[5]C[5]){1|N<2>,1|N<3>,8|C<3>}	N[5,6](B[6]N[5,6]C[6a]2)(N[5,6]B[6]C[5])(N[5]C[5]){1|N<2>,1|N<3>,8|C<3>}	101.4640	0.000	1	101.4640	0.000	1	101.4640	0.000	1	101.4640	0.000	1	105.1167	3.114	43	106.7015	7.497	92
874	542	542	6:SP3_SP2_SP2	B[6]	N[5,6]	N[5,6]	3:3:3:3:	4:3:3:	4:3:3:	N[5,6]-3:N[5,6]-3:C[6a]-3:C[6a]-3:	B[6]-4:C[5,6]-3:C[5]-3:	B[6]-4:C[5,6]-3:C[5]-3:	B[6](N[5,6]C[5,6]C[5])2(C[6a]C[6a]2)2	N[5,6](B[6]N[5,6]C[6a]2)(C[5,6]Ge[6]N[5])(C[5]C[5]H)	N[5,6](B[6]N[5,6]C[6a]2)(C[5,6]Ge[6]N[5])(C[5]C[5]H)	B[6](N[5,6]C[5,6]C[5])2(C[6a]C[6a]2)2{1|Ge<4>,2|N<3>,6|C<3>,6|H<1>}	N[5,6](B[6]N[5,6]C[6a]2)(C[5,6]Ge[6]N[5])(C[5]C[5]H){2|C<4>,2|H<1>,6|C<3>}	N[5,6](B[6]N[5,6]C[6a]2)(C[5,6]Ge[6]N[5])(C[5]C[5]H){2|C<4>,2|H<1>,6|C<3>}	107.7920	0.000	1	107.7920	0.000	1	107.7920	0.000	1	106.5305	5.649	4	105.1167	3.114	43	106.7015	7.497	92
874	542	542	6:SP3_SP2_SP2	B[6]	N[5,6]	N[5,6]	3:3:3:3:	4:3:3:	4:3:3:	N[5,6]-3:N[5,6]-3:C[6a]-3:C[6a]-3:	B[6]-4:N[5,6]-3:C[5]-3:	B[6]-4:N[5,6]-3:C[5]-3:	B[6](N[5,6]N[5,6]C[5])2(C[6a]C[6a]2)2	N[5,6](B[6]N[5,6]C[6a]2)(N[5,6]B[6]N[5])(C[5]C[5]C)	N[5,6](B[6]N[5,6]C[6a]2)(N[5,6]B[6]N[5])(C[5]C[5]C)	B[6](N[5,6]N[5,6]C[5])2(C[6a]C[6a]2)2{1|B<4>,2|N<2>,4|F<1>,8|C<3>}	N[5,6](B[6]N[5,6]C[6a]2)(N[5,6]B[6]N[5])(C[5]C[5]C){1|N<3>,8|C<3>}	N[5,6](B[6]N[5,6]C[6a]2)(N[5,6]B[6]N[5])(C[5]C[5]C){1|N<3>,8|C<3>}	103.0340	0.000	1	103.0340	0.000	1	103.0340	0.000	1	106.5305	5.649	4	105.1167	3.114	43	106.7015	7.497	92
874	542	542	6:SP3_SP2_SP2	B[6]	N[5,6]	N[5,6]	3:3:3:3:	4:3:3:	4:3:3:	N[5,6]-3:N[5,6]-3:N[5a]-3:N[5a]-3:	B[6]-4:N[5,6]-3:C[5]-3:	B[6]-4:N[5,6]-3:C[5]-3:	B[6](N[5,6]N[5,6]C[5])2(N[5a]C[5a]N[5a])2	N[5,6](B[6]N[5,6]N[5a]2)(N[5,6]B[6]C[5])(C[5]C[5]H)	N[5,6](B[6]N[5,6]N[5a]2)(N[5,6]B[6]C[5])(C[5]C[5]H)	B[6](N[5,6]N[5,6]C[5])2(N[5a]C[5a]N[5a])2{1|B<4>,4|H<1>,8|C<3>}	N[5,6](B[6]N[5,6]N[5a]2)(N[5,6]B[6]C[5])(C[5]C[5]H){2|H<1>,2|N<2>,3|C<3>,3|N<3>}	N[5,6](B[6]N[5,6]N[5a]2)(N[5,6]B[6]C[5])(C[5]C[5]H){2|H<1>,2|N<2>,3|C<3>,3|N<3>}	107.6480	0.795	2	107.6480	0.632	2	107.6480	0.632	2	106.5305	5.649	4	105.1167	3.114	43	106.7015	7.497	92
874	542	542	6:SP3_SP2_SP2	B[6]	N[5,6]	N[5,6]	3:3:3:4:	4:3:3:	4:3:3:	N[5,6]-3:N[5,6]-3:C[6a]-3:C-4:	B[6]-4:N[5,6]-3:C[5]-3:	B[6]-4:N[5,6]-3:C[5]-3:	B[6](N[5,6]N[5,6]C[5])2(C[6a]C[6a]2)(CC3)	N[5,6](B[6]N[5,6]C[6a]C)(N[5,6]B[6]C[5])(C[5]C[5]H)	N[5,6](B[6]N[5,6]C[6a]C)(N[5,6]B[6]C[5])(C[5]C[5]H)	B[6](N[5,6]N[5,6]C[5])2(C[6a]C[6a]2)(CC3){1|B<4>,4|H<1>,6|C<3>}	N[5,6](B[6]N[5,6]C[6a]C)(N[5,6]B[6]C[5])(C[5]C[5]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	N[5,6](B[6]N[5,6]C[6a]C)(N[5,6]B[6]C[5])(C[5]C[5]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	103.7510	0.048	2	103.7510	0.002	2	103.7510	0.002	2	103.7510	0.002	2	105.1167	3.114	43	106.7015	7.497	92
874	542	542	6:SP3_SP2_SP2	B[6]	N[5,6]	N[5,6]	3:3:4:4:	3:3:4:	3:4:3:	N[5,6]-3:N[5,6]-3:C-4:C-4:	C[5,6a]-3:N[5,6]-3:B[6]-4:	N[5,6]-3:B[6]-4:C[5]-3:	B[6](N[5,6]C[5,6a]N[5,6])(N[5,6]N[5,6]C[5])(CCHH)2	N[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(B[6]N[5,6]CC)	N[5,6](N[5,6]C[5,6a]B[6])(B[6]N[5,6]CC)(C[5]C[5,6a]H)	B[6](N[5,6]C[5,6a]N[5,6])(N[5,6]N[5,6]C[5])(CCHH)2{1|B<4>,1|H<1>,5|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(B[6]N[5,6]CC){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	N[5,6](N[5,6]C[5,6a]B[6])(B[6]N[5,6]CC)(C[5]C[5,6a]H){1|N<3>,2|C<4>,3|C<3>}	106.2310	0.091	2	106.2310	0.008	2	106.2310	0.008	2	106.2310	0.008	2	105.1167	3.114	43	106.7015	7.497	92
874	542	542	6:SP3_SP2_SP2	B[6]	N[5,6]	N[5,6]	3:3:4:4:	3:4:3:	3:4:3:	N[5,6]-3:N[5,6]-3:C-4:C-4:	C[5,6]-3:B[6]-4:C[5]-3:	C[5,6]-3:B[6]-4:C[5]-3:	B[6](N[5,6]C[5,6]C[5])2(CH3)2	N[5,6](C[5,6]In[6,6]N[5])(B[6]N[5,6]CC)(C[5]C[5]H)	N[5,6](C[5,6]In[6,6]N[5])(B[6]N[5,6]CC)(C[5]C[5]H)	B[6](N[5,6]C[5,6]C[5])2(CH3)2{1|In<5>,2|C<3>,2|H<1>,2|N<3>}	N[5,6](C[5,6]In[6,6]N[5])(B[6]N[5,6]CC)(C[5]C[5]H){1|Br<1>,1|C<4>,1|H<1>,4|C<3>}	N[5,6](C[5,6]In[6,6]N[5])(B[6]N[5,6]CC)(C[5]C[5]H){1|Br<1>,1|C<4>,1|H<1>,4|C<3>}	107.5755	0.549	2	107.5755	0.302	2	107.5755	0.302	2	105.3800	1.777	9	105.1167	3.114	43	106.7015	7.497	92
874	542	542	6:SP3_SP2_SP2	B[6]	N[5,6]	N[5,6]	3:3:4:4:	3:4:3:	3:4:3:	N[5,6]-3:N[5,6]-3:C-4:C-4:	N[5,6]-3:B[6]-4:C[5]-3:	N[5,6]-3:B[6]-4:C[5]-3:	B[6](N[5,6]N[5,6]C[5])2(CCHH)2	N[5,6](N[5,6]B[6]C[5])(B[6]N[5,6]CC)(C[5]C[5]H)	N[5,6](N[5,6]B[6]C[5])(B[6]N[5,6]CC)(C[5]C[5]H)	B[6](N[5,6]N[5,6]C[5])2(CCHH)2{1|B<4>,2|H<1>,4|C<3>}	N[5,6](N[5,6]B[6]C[5])(B[6]N[5,6]CC)(C[5]C[5]H){1|C<2>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N[5,6](N[5,6]B[6]C[5])(B[6]N[5,6]CC)(C[5]C[5]H){1|C<2>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	104.7370	0.584	5	104.7527	0.253	7	104.7527	0.253	7	105.3800	1.777	9	105.1167	3.114	43	106.7015	7.497	92
874	542	542	6:SP3_SP2_SP2	B[6]	N[5,6]	N[5,6]	3:3:4:4:	3:4:3:	3:4:3:	N[5,6]-3:N[5,6]-3:C-4:C-4:	N[5,6]-3:B[6]-4:C[5]-3:	N[5,6]-3:B[6]-4:C[5]-3:	B[6](N[5,6]N[5,6]C[5])2(CCHH)2	N[5,6](N[5,6]B[6]C[5])(B[6]N[5,6]CC)(C[5]C[5]H)	N[5,6](N[5,6]B[6]C[5])(B[6]N[5,6]CC)(C[5]C[5]H)	B[6](N[5,6]N[5,6]C[5])2(CCHH)2{1|B<4>,2|H<1>,4|C<3>}	N[5,6](N[5,6]B[6]C[5])(B[6]N[5,6]CC)(C[5]C[5]H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	N[5,6](N[5,6]B[6]C[5])(B[6]N[5,6]CC)(C[5]C[5]H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	104.7920	0.385	2	104.7527	0.253	7	104.7527	0.253	7	105.3800	1.777	9	105.1167	3.114	43	106.7015	7.497	92
874	542	622	0:SP3_SP2_SP2	B[6]	N[5]	O[6]	3:3:3:2:	4:3:3:	4:3:	N[5]-3:C[6a]-3:O[6]-3:O[6]-2:	B[6]-4:N[5]-3:C[5]-3:	B[6]-4:B[6]-3:	B[6](N[5]C[5]N[5])(C[6a]C[6a]2)(O[6]B[6]Ru)(O[6]B[6])	N[5](B[6]C[6a]O[6]2)(N[5]C[5]Ru)(C[5]C[5]H)	O[6](B[6]C[6a]N[5]O[6])(B[6]C[6a]O[6])	B[6](N[5]C[5]N[5])(C[6a]C[6a]2)(O[6]B[6]Ru)(O[6]B[6]){1|N<3>,1|O<2>,3|H<1>,6|C<3>}	N[5](B[6]C[6a]O[6]2)(N[5]C[5]Ru)(C[5]C[5]H){1|B<3>,1|B<4>,2|C<3>,2|H<1>}	O[6](B[6]C[6a]N[5]O[6])(B[6]C[6a]O[6]){1|Ru<9>,1|B<4>,1|N<3>,5|C<3>}	106.1870	0.601	2	106.1870	0.361	2	106.1870	0.361	2	106.1870	0.361	2	106.1870	0.361	2	106.1870	0.361	2
874	542	622	6:SP3_SP2_SP2	B[6,6]	N[5,6]	O[6]	3:3:3:2:	3:4:3:	4:3:	C[6,6a]-3:C[6,6a]-3:N[5,6]-3:O[6]-2:	C[5,6a]-3:B[6,6]-4:C[5,6]-3:	B[6,6]-4:C[6,6a]-3:	B[6,6](C[6,6a]C[6,6a]C[6a])2(N[5,6]C[5,6a]C[5,6])(O[6]C[6,6a])	N[5,6](C[5,6a]C[5,6a]C[6a])(B[6,6]C[6,6a]2O[6])(C[5,6]C[6,6a]N[5])	O[6](B[6,6]C[6,6a]2N[5,6])(C[6,6a]C[6,6a]C[6a])	B[6,6](C[6,6a]C[6,6a]C[6a])2(N[5,6]C[5,6a]C[5,6])(O[6]C[6,6a]){1|B<4>,1|N<3>,2|H<1>,8|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(B[6,6]C[6,6a]2O[6])(C[5,6]C[6,6a]N[5]){1|H<1>,9|C<3>}	O[6](B[6,6]C[6,6a]2N[5,6])(C[6,6a]C[6,6a]C[6a]){1|H<1>,8|C<3>}	104.5380	0.000	1	104.5380	0.000	1	104.5380	0.000	1	104.5380	0.000	1	104.5380	0.000	1	106.5914	3.482	58
874	542	622	6:SP3_SP2_SP2	B[6]	N[5,6]	O[6]	3:2:1:1:	3:3:4:	3:4:	N[5,6]-3:O[6]-2:F-1:F-1:	C[5,6]-3:C[5]-3:B[6]-4:	C[6,6a]-3:B[6]-4:	B[6](N[5,6]C[5,6]C[5])(O[6]C[6,6a])(F)2	N[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]C[5])(B[6]O[6]FF)	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF)	B[6](N[5,6]C[5,6]C[5])(O[6]C[6,6a])(F)2{1|N<3>,4|C<3>}	N[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]C[5])(B[6]O[6]FF){6|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF){1|H<1>,4|C<3>}	107.6510	0.478	3	107.6510	0.228	3	107.6510	0.228	3	107.6607	1.238	35	106.6275	3.468	57	106.5914	3.482	58
874	542	622	6:SP3_SP2_SP2	B[6]	N[5,6]	O[6]	3:2:1:1:	3:3:4:	3:4:	N[5,6]-3:O[6]-2:F-1:F-1:	C[5,6]-3:C[5]-3:B[6]-4:	C[6]-3:B[6]-4:	B[6](N[5,6]C[5,6]C[5])(O[6]C[6])(F)2	N[5,6](C[5,6]N[6]S[5])(C[5]C[6a]C[5])(B[6]O[6]FF)	O[6](C[6]C[6a]N[6])(B[6]N[5,6]FF)	B[6](N[5,6]C[5,6]C[5])(O[6]C[6])(F)2{1|N<2>,1|S<2>,3|C<3>}	N[5,6](C[5,6]N[6]S[5])(C[5]C[6a]C[5])(B[6]O[6]FF){1|H<1>,3|C<3>}	O[6](C[6]C[6a]N[6])(B[6]N[5,6]FF){4|C<3>}	107.3375	0.156	2	107.3375	0.024	2	107.3375	0.024	2	107.6607	1.238	35	106.6275	3.468	57	106.5914	3.482	58
874	542	622	6:SP3_SP2_SP2	B[6]	N[5,6]	O[6]	3:2:1:1:	3:3:4:	3:4:	N[5,6]-3:O[6]-2:F-1:F-1:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5a,6]-3:B[6]-4:	B[6](N[5,6]C[5,6a]C[5,6])(O[6]C[5a,6])(F)2	N[5,6](C[5,6a]N[5,6a]C[6a])(C[5,6]C[5a,6]C[5])(B[6]O[6]FF)	O[6](C[5a,6]C[5a,6]N[5a])(B[6]N[5,6]FF)	B[6](N[5,6]C[5,6a]C[5,6])(O[6]C[5a,6])(F)2{1|N<2>,1|N<3>,3|C<3>}	N[5,6](C[5,6a]N[5,6a]C[6a])(C[5,6]C[5a,6]C[5])(B[6]O[6]FF){1|N<3>,2|H<1>,3|C<3>}	O[6](C[5a,6]C[5a,6]N[5a])(B[6]N[5,6]FF){1|N<3>,3|C<3>}	109.8775	1.900	2	109.8775	3.610	2	109.8775	3.610	2	107.6607	1.238	35	106.6275	3.468	57	106.5914	3.482	58
874	542	622	6:SP3_SP2_SP2	B[6]	N[5,6]	O[6]	3:2:1:1:	3:3:4:	3:4:	N[5,6]-3:O[6]-2:F-1:F-1:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[6,6]-3:B[6]-4:	B[6](N[5,6]C[5,6a]C[5,6])(O[6]C[6,6])(F)2	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]S[5])(B[6]O[6]FF)	O[6](C[6,6]C[6,6]N[6])(B[6]N[5,6]FF)	B[6](N[5,6]C[5,6a]C[5,6])(O[6]C[6,6])(F)2{1|N<3>,1|S<2>,3|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]S[5])(B[6]O[6]FF){1|H<1>,1|N<2>,3|C<3>}	O[6](C[6,6]C[6,6]N[6])(B[6]N[5,6]FF){1|B<4>,1|H<1>,1|N<2>,2|C<3>}	109.1005	0.412	2	109.1005	0.170	2	109.1005	0.170	2	107.6607	1.238	35	106.6275	3.468	57	106.5914	3.482	58
874	542	622	6:SP3_SP2_SP2	B[6]	N[5,6]	O[6]	3:2:1:1:	3:3:4:	3:4:	N[5,6]-3:O[6]-2:F-1:F-1:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[6,6a]-3:B[6]-4:	B[6](N[5,6]C[5,6a]C[5,6])(O[6]C[6,6a])(F)2	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(B[6]O[6]FF)	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF)	B[6](N[5,6]C[5,6a]C[5,6])(O[6]C[6,6a])(F)2{1|C<4>,4|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(B[6]O[6]FF){1|H<1>,2|C<4>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF){1|H<1>,4|C<3>}	108.0370	0.000	1	108.0370	0.000	1	107.9455	0.017	2	107.6607	1.238	35	106.6275	3.468	57	106.5914	3.482	58
874	542	622	6:SP3_SP2_SP2	B[6]	N[5,6]	O[6]	3:2:1:1:	3:3:4:	3:4:	N[5,6]-3:O[6]-2:F-1:F-1:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[6,6a]-3:B[6]-4:	B[6](N[5,6]C[5,6a]C[5,6])(O[6]C[6,6a])(F)2	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5])(B[6]O[6]FF)	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF)	B[6](N[5,6]C[5,6a]C[5,6])(O[6]C[6,6a])(F)2{1|O<2>,4|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5])(B[6]O[6]FF){1|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF){1|H<1>,4|C<3>}	107.8540	0.000	1	107.8540	0.000	1	107.9455	0.017	2	107.6607	1.238	35	106.6275	3.468	57	106.5914	3.482	58
874	542	622	6:SP3_SP2_SP2	B[6]	N[5,6]	O[6]	3:2:1:1:	3:3:4:	3:4:	N[5,6]-3:O[6]-2:F-1:F-1:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[6]-3:B[6]-4:	B[6](N[5,6]C[5,6a]C[5,6])(O[6]C[6])(F)2	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5])(B[6]O[6]FF)	O[6](C[6]C[6a]C[6])(B[6]N[5,6]FF)	B[6](N[5,6]C[5,6a]C[5,6])(O[6]C[6])(F)2{1|O<2>,4|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5])(B[6]O[6]FF){2|H<1>,3|C<3>}	O[6](C[6]C[6a]C[6])(B[6]N[5,6]FF){1|H<1>,4|C<3>}	107.7880	0.256	6	107.7880	0.065	6	107.3605	0.926	24	107.6607	1.238	35	106.6275	3.468	57	106.5914	3.482	58
874	542	622	6:SP3_SP2_SP2	B[6]	N[5,6]	O[6]	3:2:1:1:	3:3:4:	3:4:	N[5,6]-3:O[6]-2:F-1:F-1:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[6]-3:B[6]-4:	B[6](N[5,6]C[5,6a]C[5,6])(O[6]C[6])(F)2	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]O[6]FF)	O[6](C[6]C[6a]C[6])(B[6]N[5,6]FF)	B[6](N[5,6]C[5,6a]C[5,6])(O[6]C[6])(F)2{1|S<2>,4|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]O[6]FF){1|H<1>,4|C<3>}	O[6](C[6]C[6a]C[6])(B[6]N[5,6]FF){5|C<3>}	108.0453	0.582	3	108.5792	0.704	5	107.3605	0.926	24	107.6607	1.238	35	106.6275	3.468	57	106.5914	3.482	58
874	542	622	6:SP3_SP2_SP2	B[6]	N[5,6]	O[6]	3:2:1:1:	3:3:4:	3:4:	N[5,6]-3:O[6]-2:F-1:F-1:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[6]-3:B[6]-4:	B[6](N[5,6]C[5,6a]C[5,6])(O[6]C[6])(F)2	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]O[6]FF)	O[6](C[6]C[6a]C[6])(B[6]N[5,6]FF)	B[6](N[5,6]C[5,6a]C[5,6])(O[6]C[6])(F)2{1|S<2>,4|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]O[6]FF){2|H<1>,3|C<3>}	O[6](C[6]C[6a]C[6])(B[6]N[5,6]FF){1|H<1>,4|C<3>}	109.3800	0.044	2	108.5792	0.704	5	107.3605	0.926	24	107.6607	1.238	35	106.6275	3.468	57	106.5914	3.482	58
874	542	622	6:SP3_SP2_SP2	B[6]	N[5,6]	O[6]	3:2:1:1:	3:3:4:	3:4:	N[5,6]-3:O[6]-2:F-1:F-1:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[6]-3:B[6]-4:	B[6](N[5,6]C[5,6a]C[5,6])(O[6]C[6])(F)2	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(B[6]O[6]FF)	O[6](C[6]C[6a]N[6])(B[6]N[5,6]FF)	B[6](N[5,6]C[5,6a]C[5,6])(O[6]C[6])(F)2{1|N<2>,1|S<2>,3|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(B[6]O[6]FF){1|F<1>,3|C<3>}	O[6](C[6]C[6a]N[6])(B[6]N[5,6]FF){4|C<3>}	105.7280	0.000	1	106.6944	0.323	13	107.3605	0.926	24	107.6607	1.238	35	106.6275	3.468	57	106.5914	3.482	58
874	542	622	6:SP3_SP2_SP2	B[6]	N[5,6]	O[6]	3:2:1:1:	3:3:4:	3:4:	N[5,6]-3:O[6]-2:F-1:F-1:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[6]-3:B[6]-4:	B[6](N[5,6]C[5,6a]C[5,6])(O[6]C[6])(F)2	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(B[6]O[6]FF)	O[6](C[6]C[6a]N[6])(B[6]N[5,6]FF)	B[6](N[5,6]C[5,6a]C[5,6])(O[6]C[6])(F)2{1|N<2>,1|S<2>,3|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(B[6]O[6]FF){1|H<1>,3|C<3>}	O[6](C[6]C[6a]N[6])(B[6]N[5,6]FF){4|C<3>}	106.7749	0.510	12	106.6944	0.323	13	107.3605	0.926	24	107.6607	1.238	35	106.6275	3.468	57	106.5914	3.482	58
874	542	622	6:SP3_SP2_SP2	B[6]	N[5,6]	O[6]	3:2:1:1:	3:4:3:	3:4:	N[5,6]-3:O[6]-2:F-1:F-1:	C[5,6]-3:B[6]-4:C[5]-3:	C[6]-3:B[6]-4:	B[6](N[5,6]C[5,6]C[5])(O[6]C[6])(F)2	N[5,6](C[5,6]N[6]S[5])(B[6]O[6]FF)(C[5]C[5]C)	O[6](C[6]C[6a]N[6])(B[6]N[5,6]FF)	B[6](N[5,6]C[5,6]C[5])(O[6]C[6])(F)2{1|C<4>,1|N<2>,1|S<2>,2|C<3>}	N[5,6](C[5,6]N[6]S[5])(B[6]O[6]FF)(C[5]C[5]C){1|C<3>,1|C<4>}	O[6](C[6]C[6a]N[6])(B[6]N[5,6]FF){4|C<3>}	107.2820	0.000	1	107.2983	0.004	3	107.0067	0.092	7	107.0067	0.092	7	106.6275	3.468	57	106.5914	3.482	58
874	542	622	6:SP3_SP2_SP2	B[6]	N[5,6]	O[6]	3:2:1:1:	3:4:3:	3:4:	N[5,6]-3:O[6]-2:F-1:F-1:	C[5,6]-3:B[6]-4:C[5]-3:	C[6]-3:B[6]-4:	B[6](N[5,6]C[5,6]C[5])(O[6]C[6])(F)2	N[5,6](C[5,6]N[6]S[5])(B[6]O[6]FF)(C[5]C[5]C)	O[6](C[6]C[6a]N[6])(B[6]N[5,6]FF)	B[6](N[5,6]C[5,6]C[5])(O[6]C[6])(F)2{1|C<4>,1|N<2>,1|S<2>,2|C<3>}	N[5,6](C[5,6]N[6]S[5])(B[6]O[6]FF)(C[5]C[5]C){2|C<3>}	O[6](C[6]C[6a]N[6])(B[6]N[5,6]FF){4|C<3>}	107.2470	0.000	1	107.2983	0.004	3	107.0067	0.092	7	107.0067	0.092	7	106.6275	3.468	57	106.5914	3.482	58
874	542	622	6:SP3_SP2_SP2	B[6]	N[5,6]	O[6]	3:2:1:1:	3:4:3:	3:4:	N[5,6]-3:O[6]-2:F-1:F-1:	C[5,6]-3:B[6]-4:C[5]-3:	C[6]-3:B[6]-4:	B[6](N[5,6]C[5,6]C[5])(O[6]C[6])(F)2	N[5,6](C[5,6]N[6]S[5])(B[6]O[6]FF)(C[5]C[5]C)	O[6](C[6]C[6a]N[6])(B[6]N[5,6]FF)	B[6](N[5,6]C[5,6]C[5])(O[6]C[6])(F)2{1|N<2>,1|S<2>,3|C<3>}	N[5,6](C[5,6]N[6]S[5])(B[6]O[6]FF)(C[5]C[5]C){1|C<3>,1|H<1>}	O[6](C[6]C[6a]N[6])(B[6]N[5,6]FF){4|C<3>}	107.3660	0.000	1	107.2983	0.004	3	107.0067	0.092	7	107.0067	0.092	7	106.6275	3.468	57	106.5914	3.482	58
874	542	622	6:SP3_SP2_SP2	B[6]	N[5,6]	O[6]	3:2:1:1:	3:4:3:	3:4:	N[5,6]-3:O[6]-2:F-1:F-1:	C[5,6]-3:B[6]-4:C[5]-3:	C[6]-3:B[6]-4:	B[6](N[5,6]C[5,6]C[5])(O[6]C[6])(F)2	N[5,6](C[5,6]N[6]S[5])(B[6]O[6]FF)(C[5]C[5]H)	O[6](C[6]C[6a]N[6])(B[6]N[5,6]FF)	B[6](N[5,6]C[5,6]C[5])(O[6]C[6])(F)2{1|H<1>,1|N<2>,1|S<2>,2|C<3>}	N[5,6](C[5,6]N[6]S[5])(B[6]O[6]FF)(C[5]C[5]H){1|C<3>,1|C<4>}	O[6](C[6]C[6a]N[6])(B[6]N[5,6]FF){4|C<3>}	107.0370	0.000	1	106.7880	0.032	4	107.0067	0.092	7	107.0067	0.092	7	106.6275	3.468	57	106.5914	3.482	58
874	542	622	6:SP3_SP2_SP2	B[6]	N[5,6]	O[6]	3:2:1:1:	3:4:3:	3:4:	N[5,6]-3:O[6]-2:F-1:F-1:	C[5,6]-3:B[6]-4:C[5]-3:	C[6]-3:B[6]-4:	B[6](N[5,6]C[5,6]C[5])(O[6]C[6])(F)2	N[5,6](C[5,6]N[6]S[5])(B[6]O[6]FF)(C[5]C[5]H)	O[6](C[6]C[6a]N[6])(B[6]N[5,6]FF)	B[6](N[5,6]C[5,6]C[5])(O[6]C[6])(F)2{1|H<1>,1|N<2>,1|S<2>,2|C<3>}	N[5,6](C[5,6]N[6]S[5])(B[6]O[6]FF)(C[5]C[5]H){1|C<3>,1|H<1>}	O[6](C[6]C[6a]N[6])(B[6]N[5,6]FF){4|C<3>}	106.6230	0.000	1	106.7880	0.032	4	107.0067	0.092	7	107.0067	0.092	7	106.6275	3.468	57	106.5914	3.482	58
874	542	622	6:SP3_SP2_SP2	B[6]	N[5,6]	O[6]	3:2:1:1:	3:4:3:	3:4:	N[5,6]-3:O[6]-2:F-1:F-1:	C[5,6]-3:B[6]-4:C[5]-3:	C[6]-3:B[6]-4:	B[6](N[5,6]C[5,6]C[5])(O[6]C[6])(F)2	N[5,6](C[5,6]N[6]S[5])(B[6]O[6]FF)(C[5]C[5]H)	O[6](C[6]C[6a]N[6])(B[6]N[5,6]FF)	B[6](N[5,6]C[5,6]C[5])(O[6]C[6])(F)2{1|H<1>,1|N<2>,1|S<2>,2|C<3>}	N[5,6](C[5,6]N[6]S[5])(B[6]O[6]FF)(C[5]C[5]H){1|C<3>,1|I<1>}	O[6](C[6]C[6a]N[6])(B[6]N[5,6]FF){4|C<3>}	106.6990	0.000	1	106.7880	0.032	4	107.0067	0.092	7	107.0067	0.092	7	106.6275	3.468	57	106.5914	3.482	58
874	542	622	6:SP3_SP2_SP2	B[6]	N[5,6]	O[6]	3:2:1:1:	3:4:3:	3:4:	N[5,6]-3:O[6]-2:F-1:F-1:	C[5,6]-3:B[6]-4:C[5]-3:	C[6]-3:B[6]-4:	B[6](N[5,6]C[5,6]C[5])(O[6]C[6])(F)2	N[5,6](C[5,6]N[6]S[5])(B[6]O[6]FF)(C[5]C[5]H)	O[6](C[6]C[6a]N[6])(B[6]N[5,6]FF)	B[6](N[5,6]C[5,6]C[5])(O[6]C[6])(F)2{1|H<1>,1|N<2>,1|S<2>,2|C<3>}	N[5,6](C[5,6]N[6]S[5])(B[6]O[6]FF)(C[5]C[5]H){1|C<3>,1|S<4>}	O[6](C[6]C[6a]N[6])(B[6]N[5,6]FF){4|C<3>}	106.7930	0.000	1	106.7880	0.032	4	107.0067	0.092	7	107.0067	0.092	7	106.6275	3.468	57	106.5914	3.482	58
874	542	622	6:SP3_SP2_SP2	B[6]	N[5,6]	O[6]	3:3:3:2:	3:3:4:	3:4:	N[5,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	C[5,5a]-3:C[5,6]-3:B[6]-4:	C[6,6a]-3:B[6]-4:	B[6](N[5,6]C[5,5a]C[5,6])(C[6a]C[6a]2)2(O[6]C[6,6a])	N[5,6](C[5,5a]C[5,5a]S[5a])(C[5,6]C[6,6a]S[5])(B[6]C[6a]2O[6])	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]C[6a]2)	B[6](N[5,6]C[5,5a]C[5,6])(C[6a]C[6a]2)2(O[6]C[6,6a]){2|S<2>,4|H<1>,7|C<3>}	N[5,6](C[5,5a]C[5,5a]S[5a])(C[5,6]C[6,6a]S[5])(B[6]C[6a]2O[6]){1|N<3>,7|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]C[6a]2){1|H<1>,8|C<3>}	102.5925	0.561	2	102.5925	0.314	2	102.5925	0.314	2	104.1270	0.938	10	106.6275	3.468	57	106.5914	3.482	58
874	542	622	6:SP3_SP2_SP2	B[6]	N[5,6]	O[6]	3:3:3:2:	3:3:4:	3:4:	N[5,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[6,6a]-3:B[6]-4:	B[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)2(O[6]C[6,6a])	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5])(B[6]C[6a]2O[6])	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]C[6a]2)	B[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)2(O[6]C[6,6a]){1|O<2>,4|H<1>,8|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5])(B[6]C[6a]2O[6]){1|H<1>,8|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]C[6a]2){1|H<1>,8|C<3>}	105.6500	0.000	1	105.6500	0.000	1	104.5106	0.320	8	104.1270	0.938	10	106.6275	3.468	57	106.5914	3.482	58
874	542	622	6:SP3_SP2_SP2	B[6]	N[5,6]	O[6]	3:3:3:2:	3:3:4:	3:4:	N[5,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[6,6a]-3:B[6]-4:	B[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)2(O[6]C[6,6a])	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5])(B[6]C[6a]2O[6])	O[6](C[6,6a]C[6a,6a]C[6,6a])(B[6]N[5,6]C[6a]2)	B[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)2(O[6]C[6,6a]){1|O<2>,4|H<1>,8|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5])(B[6]C[6a]2O[6]){1|H<1>,8|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(B[6]N[5,6]C[6a]2){9|C<3>}	104.0310	0.000	1	104.0310	0.000	1	104.5106	0.320	8	104.1270	0.938	10	106.6275	3.468	57	106.5914	3.482	58
874	542	622	6:SP3_SP2_SP2	B[6]	N[5,6]	O[6]	3:3:3:2:	3:3:4:	3:4:	N[5,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[6,6a]-3:B[6]-4:	B[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)2(O[6]C[6,6a])	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]S[5])(B[6]C[6a]2O[6])	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]C[6a]2)	B[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)2(O[6]C[6,6a]){1|S<2>,4|H<1>,8|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]S[5])(B[6]C[6a]2O[6]){1|H<1>,8|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]C[6a]2){1|H<1>,8|C<3>}	104.5258	0.204	5	104.5258	0.042	5	104.5106	0.320	8	104.1270	0.938	10	106.6275	3.468	57	106.5914	3.482	58
874	542	622	6:SP3_SP2_SP2	B[6]	N[5,6]	O[6]	3:3:3:2:	3:3:4:	3:4:	N[5,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[6,6a]-3:B[6]-4:	B[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)2(O[6]C[6,6a])	N[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[6,6a]N[5])(B[6]C[6a]2O[6])	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]C[6a]2)	B[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)2(O[6]C[6,6a]){1|N<3>,4|H<1>,8|C<3>}	N[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[6,6a]N[5])(B[6]C[6a]2O[6]){10|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]C[6a]2){1|H<1>,8|C<3>}	103.7750	0.000	1	103.7750	0.000	1	104.5106	0.320	8	104.1270	0.938	10	106.6275	3.468	57	106.5914	3.482	58
874	542	622	6:SP3_SP2_SP2	B[6]	N[5,6]	O[6]	3:3:3:2:	3:4:2:	3:4:	N[5,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	C[5,6]-3:B[6]-4:N[5]-2:	C[6,6a]-3:B[6]-4:	B[6](N[5,6]C[5,6]N[5])(C[6a]C[6a]2)2(O[6]C[6,6a])	N[5,6](C[5,6]C[6,6a]O[5])(B[6]C[6a]2O[6])(N[5]C[5])	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]C[6a]2)	B[6](N[5,6]C[5,6]N[5])(C[6a]C[6a]2)2(O[6]C[6,6a]){1|O<2>,4|H<1>,7|C<3>}	N[5,6](C[5,6]C[6,6a]O[5])(B[6]C[6a]2O[6])(N[5]C[5]){7|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]C[6a]2){1|H<1>,1|N<2>,7|C<3>}	102.3480	0.000	1	102.3480	0.000	1	102.3480	0.000	1	102.3480	0.000	1	106.6275	3.468	57	106.5914	3.482	58
874	542	622	6:SP3_SP2_SP2	B[6]	N[5,6]	O[6]	3:3:3:2:	3:4:3:	3:4:	N[5,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	C[5,6]-3:B[6]-4:C[5]-3:	C[6,6a]-3:B[6]-4:	B[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)2(O[6]C[6,6a])	N[5,6](C[5,6]C[6,6a]N[5])(B[6]C[6a]2O[6])(C[5]C[6a]C[5])	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]C[6a]2)	B[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)2(O[6]C[6,6a]){1|N<3>,4|H<1>,8|C<3>}	N[5,6](C[5,6]C[6,6a]N[5])(B[6]C[6a]2O[6])(C[5]C[6a]C[5]){10|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]C[6a]2){1|H<1>,8|C<3>}	103.7230	0.000	1	103.7230	0.000	1	103.7230	0.000	1	103.7230	0.000	1	106.6275	3.468	57	106.5914	3.482	58
874	542	622	6:SP3_SP2_SP2	B[6]	N[5,6]	O[6]	3:3:3:2:	3:4:3:	4:3:	N[5,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	C[5,6a]-3:B[6]-4:C[5,6]-3:	B[6]-4:C[6]-3:	B[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)2(O[6]C[6])	N[5,6](C[5,6a]C[5,6a]C[6a])(B[6]C[6a]2O[6])(C[5,6]C[6]S[5])	O[6](B[6]N[5,6]C[6a]2)(C[6]C[6a]C[6])	B[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)2(O[6]C[6]){1|S<2>,4|H<1>,8|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(B[6]C[6a]2O[6])(C[5,6]C[6]S[5]){1|H<1>,8|C<3>}	O[6](B[6]N[5,6]C[6a]2)(C[6]C[6a]C[6]){9|C<3>}	104.1780	0.686	2	104.4170	0.407	3	104.4170	0.407	3	104.4170	0.407	3	106.6275	3.468	57	106.5914	3.482	58
874	542	622	6:SP3_SP2_SP2	B[6]	N[5,6]	O[6]	3:3:3:2:	3:4:3:	4:3:	N[5,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	C[5,6a]-3:B[6]-4:C[5,6]-3:	B[6]-4:C[6]-3:	B[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)2(O[6]C[6])	N[5,6](C[5,6a]C[5,6a]C[6a])(B[6]C[6a]2O[6])(C[5,6]C[6]S[5])	O[6](B[6]N[5,6]C[6a]2)(C[6]C[6a]C[6])	B[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)2(O[6]C[6]){1|S<2>,4|H<1>,8|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(B[6]C[6a]2O[6])(C[5,6]C[6]S[5]){2|H<1>,7|C<3>}	O[6](B[6]N[5,6]C[6a]2)(C[6]C[6a]C[6]){1|H<1>,8|C<3>}	104.8950	0.000	1	104.4170	0.407	3	104.4170	0.407	3	104.4170	0.407	3	106.6275	3.468	57	106.5914	3.482	58
874	542	643	0:SP3_SP2_SP2	B[3x6]	N[5,6,6]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	N[5,6,6]-3:N[5,6,6]-3:N[5,6,6]-3:C[6a]-3:	B[3x6]-4:N[5,6,6]-3:C[5]-3:	B[3x6]-4:C[6a]-3:C[6a]-3:	B[3x6](N[5,6,6]N[5,6,6]C[5])3(C[6a]C[6a]2)	N[5,6,6](B[3x6]N[5,6,6]2C[6a])(N[5,6,6]B[3x6]C[5])(C[5]C[5]H)	C[6a](B[3x6]N[5,6,6]3)(C[6a]C[6a]H)2	B[3x6](N[5,6,6]N[5,6,6]C[5])3(C[6a]C[6a]2){1|B<4>,5|H<1>,8|C<3>}	N[5,6,6](B[3x6]N[5,6,6]2C[6a])(N[5,6,6]B[3x6]C[5])(C[5]C[5]H){2|H<1>,2|N<3>,5|C<3>}	C[6a](B[3x6]N[5,6,6]3)(C[6a]C[6a]H)2{2|H<1>,3|N<3>,4|C<3>}	115.1490	3.483	6	114.9952	9.503	8	114.9952	9.503	8	114.9952	9.503	8	114.9952	9.503	8	109.5108	6.240	98
874	542	643	0:SP3_SP2_SP2	B[3x6]	N[5,6,6]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	N[5,6,6]-3:N[5,6,6]-3:N[5,6,6]-3:C[6a]-3:	B[3x6]-4:N[5,6,6]-3:C[5]-3:	B[3x6]-4:C[6a]-3:C[6a]-3:	B[3x6](N[5,6,6]N[5,6,6]C[5])3(C[6a]C[6a]2)	N[5,6,6](B[3x6]N[5,6,6]2C[6a])(N[5,6,6]B[3x6]C[5])(C[5]C[5]H)	C[6a](B[3x6]N[5,6,6]3)(C[6a]C[6a]H)2	B[3x6](N[5,6,6]N[5,6,6]C[5])3(C[6a]C[6a]2){1|B<4>,5|H<1>,8|C<3>}	N[5,6,6](B[3x6]N[5,6,6]2C[6a])(N[5,6,6]B[3x6]C[5])(C[5]C[5]H){2|N<3>,3|H<1>,4|C<3>}	C[6a](B[3x6]N[5,6,6]3)(C[6a]C[6a]H)2{2|H<1>,3|N<3>,4|C<3>}	114.5340	2.305	2	114.9952	9.503	8	114.9952	9.503	8	114.9952	9.503	8	114.9952	9.503	8	109.5108	6.240	98
874	542	643	0:SP3_SP2_SP2	B[6,6]	N[5,6]	C[6,6a]	3:3:3:2:	3:4:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:N[5,6]-3:O[6]-2:	C[5,6a]-3:B[6,6]-4:C[5,6]-3:	B[6,6]-4:C[6,6a]-3:C[6a]-3:	B[6,6](C[6,6a]C[6,6a]C[6a])2(N[5,6]C[5,6a]C[5,6])(O[6]C[6,6a])	N[5,6](C[5,6a]C[5,6a]C[6a])(B[6,6]C[6,6a]2O[6])(C[5,6]C[6,6a]N[5])	C[6,6a](B[6,6]C[6,6a]N[5,6]O[6])(C[6,6a]B[6,6]C[6a])(C[6a]C[6a]H)	B[6,6](C[6,6a]C[6,6a]C[6a])2(N[5,6]C[5,6a]C[5,6])(O[6]C[6,6a]){1|B<4>,1|N<3>,2|H<1>,8|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(B[6,6]C[6,6a]2O[6])(C[5,6]C[6,6a]N[5]){1|H<1>,9|C<3>}	C[6,6a](B[6,6]C[6,6a]N[5,6]O[6])(C[6,6a]B[6,6]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|H<1>,6|C<3>}	109.1450	0.068	2	109.1450	0.005	2	109.1450	0.005	2	109.1450	0.005	2	109.1450	0.005	2	109.5108	6.240	98
874	542	643	0:SP3_SP2_SP2	B[6]	N[5,6]	C[6a]	3:3:3:2:	3:3:4:	4:3:3:	N[5,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	C[5,5a]-3:C[5,6]-3:B[6]-4:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](N[5,6]C[5,5a]C[5,6])(C[6a]C[6a]2)2(O[6]C[6,6a])	N[5,6](C[5,5a]C[5,5a]S[5a])(C[5,6]C[6,6a]S[5])(B[6]C[6a]2O[6])	C[6a](B[6]N[5,6]C[6a]O[6])(C[6a]C[6a]H)2	B[6](N[5,6]C[5,5a]C[5,6])(C[6a]C[6a]2)2(O[6]C[6,6a]){2|S<2>,4|H<1>,7|C<3>}	N[5,6](C[5,5a]C[5,5a]S[5a])(C[5,6]C[6,6a]S[5])(B[6]C[6a]2O[6]){1|N<3>,7|C<3>}	C[6a](B[6]N[5,6]C[6a]O[6])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	107.7095	1.326	4	107.7095	1.759	4	107.7095	1.759	4	108.5083	2.664	20	108.9940	3.210	86	109.5108	6.240	98
874	542	643	0:SP3_SP2_SP2	B[6]	N[5,6]	C[6a]	3:3:3:2:	3:3:4:	4:3:3:	N[5,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	C[5,6a]-3:C[5,6]-3:B[6]-4:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)2(O[6]C[6,6a])	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5])(B[6]C[6a]2O[6])	C[6a](B[6]N[5,6]C[6a]O[6])(C[6a]C[6a]H)2	B[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)2(O[6]C[6,6a]){1|O<2>,4|H<1>,8|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5])(B[6]C[6a]2O[6]){1|H<1>,8|C<3>}	C[6a](B[6]N[5,6]C[6a]O[6])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	108.0075	1.504	4	108.0075	2.263	4	108.7079	2.810	16	108.5083	2.664	20	108.9940	3.210	86	109.5108	6.240	98
874	542	643	0:SP3_SP2_SP2	B[6]	N[5,6]	C[6a]	3:3:3:2:	3:3:4:	4:3:3:	N[5,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	C[5,6a]-3:C[5,6]-3:B[6]-4:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)2(O[6]C[6,6a])	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]S[5])(B[6]C[6a]2O[6])	C[6a](B[6]N[5,6]C[6a]O[6])(C[6a]C[6a]H)2	B[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)2(O[6]C[6,6a]){1|S<2>,4|H<1>,8|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]S[5])(B[6]C[6a]2O[6]){1|H<1>,8|C<3>}	C[6a](B[6]N[5,6]C[6a]O[6])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	108.9260	1.583	10	108.9260	2.507	10	108.7079	2.810	16	108.5083	2.664	20	108.9940	3.210	86	109.5108	6.240	98
874	542	643	0:SP3_SP2_SP2	B[6]	N[5,6]	C[6a]	3:3:3:2:	3:3:4:	4:3:3:	N[5,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	C[5,6a]-3:C[5,6]-3:B[6]-4:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)2(O[6]C[6,6a])	N[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[6,6a]N[5])(B[6]C[6a]2O[6])	C[6a](B[6]N[5,6]C[6a]O[6])(C[6a]C[6a]H)2	B[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)2(O[6]C[6,6a]){1|N<3>,4|H<1>,8|C<3>}	N[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[6,6a]N[5])(B[6]C[6a]2O[6]){10|C<3>}	C[6a](B[6]N[5,6]C[6a]O[6])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	109.0185	3.190	2	109.0185	10.175	2	108.7079	2.810	16	108.5083	2.664	20	108.9940	3.210	86	109.5108	6.240	98
874	542	643	0:SP3_SP2_SP2	B[6]	N[5,6]	C[6a]	3:3:3:2:	3:4:2:	4:3:3:	N[5,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	C[5,6]-3:B[6]-4:N[5]-2:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](N[5,6]C[5,6]N[5])(C[6a]C[6a]2)2(O[6]C[6,6a])	N[5,6](C[5,6]C[6,6a]O[5])(B[6]C[6a]2O[6])(N[5]C[5])	C[6a](B[6]N[5,6]C[6a]O[6])(C[6a]C[6a]H)2	B[6](N[5,6]C[5,6]N[5])(C[6a]C[6a]2)2(O[6]C[6,6a]){1|O<2>,4|H<1>,7|C<3>}	N[5,6](C[5,6]C[6,6a]O[5])(B[6]C[6a]2O[6])(N[5]C[5]){7|C<3>}	C[6a](B[6]N[5,6]C[6a]O[6])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,5|C<3>}	108.0855	0.951	2	108.0855	0.905	2	108.0855	0.905	2	108.0855	0.905	2	108.9940	3.210	86	109.5108	6.240	98
874	542	643	0:SP3_SP2_SP2	B[6]	N[5,6]	C[6a]	3:3:3:2:	3:4:3:	4:3:3:	N[5,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	C[5,6]-3:B[6]-4:C[5]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)2(O[6]C[6,6a])	N[5,6](C[5,6]C[6,6a]N[5])(B[6]C[6a]2O[6])(C[5]C[6a]C[5])	C[6a](B[6]N[5,6]C[6a]O[6])(C[6a]C[6a]H)2	B[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)2(O[6]C[6,6a]){1|N<3>,4|H<1>,8|C<3>}	N[5,6](C[5,6]C[6,6a]N[5])(B[6]C[6a]2O[6])(C[5]C[6a]C[5]){10|C<3>}	C[6a](B[6]N[5,6]C[6a]O[6])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	110.4655	3.143	2	110.4655	9.879	2	110.4655	9.879	2	110.1879	4.084	8	108.9940	3.210	86	109.5108	6.240	98
874	542	643	0:SP3_SP2_SP2	B[6]	N[5,6]	C[6a]	3:3:3:2:	3:4:3:	4:3:3:	N[5,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	C[5,6a]-3:B[6]-4:C[5,6]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)2(O[6]C[6])	N[5,6](C[5,6a]C[5,6a]C[6a])(B[6]C[6a]2O[6])(C[5,6]C[6]S[5])	C[6a](B[6]N[5,6]C[6a]O[6])(C[6a]C[6a]H)2	B[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)2(O[6]C[6]){1|S<2>,4|H<1>,8|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(B[6]C[6a]2O[6])(C[5,6]C[6]S[5]){1|H<1>,8|C<3>}	C[6a](B[6]N[5,6]C[6a]O[6])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	109.8805	2.111	4	110.0953	3.701	6	110.0953	3.701	6	110.1879	4.084	8	108.9940	3.210	86	109.5108	6.240	98
874	542	643	0:SP3_SP2_SP2	B[6]	N[5,6]	C[6a]	3:3:3:2:	3:4:3:	4:3:3:	N[5,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	C[5,6a]-3:B[6]-4:C[5,6]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)2(O[6]C[6])	N[5,6](C[5,6a]C[5,6a]C[6a])(B[6]C[6a]2O[6])(C[5,6]C[6]S[5])	C[6a](B[6]N[5,6]C[6a]O[6])(C[6a]C[6a]H)2	B[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)2(O[6]C[6]){1|S<2>,4|H<1>,8|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(B[6]C[6a]2O[6])(C[5,6]C[6]S[5]){2|H<1>,7|C<3>}	C[6a](B[6]N[5,6]C[6a]O[6])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	110.5250	2.140	2	110.0953	3.701	6	110.0953	3.701	6	110.1879	4.084	8	108.9940	3.210	86	109.5108	6.240	98
874	542	643	0:SP3_SP2_SP2	B[6]	N[5,6]	C[6a]	3:3:3:2:	4:3:3:	4:3:3:	N[5,6]-3:N[5,6]-3:C[6a]-3:O-2:	B[6]-4:N[5,6]-3:C[5]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](N[5,6]N[5,6]C[5])2(C[6a]C[6a]2)(OC)	N[5,6](B[6]N[5,6]C[6a]O)(N[5,6]B[6]C[5])(C[5]C[5]H)	C[6a](B[6]N[5,6]2O)(C[6a]C[6a]H)2	B[6](N[5,6]N[5,6]C[5])2(C[6a]C[6a]2)(OC){1|B<4>,4|H<1>,6|C<3>}	N[5,6](B[6]N[5,6]C[6a]O)(N[5,6]B[6]C[5])(C[5]C[5]H){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6a](B[6]N[5,6]2O)(C[6a]C[6a]H)2{2|H<1>,2|N<3>,3|C<3>}	110.4720	0.778	14	110.4720	0.605	14	110.4720	0.605	14	110.4720	0.605	14	108.9940	3.210	86	109.5108	6.240	98
874	542	643	0:SP3_SP2_SP2	B[6]	N[5,6]	C[6a]	3:3:3:3:	3:4:3:	4:3:3:	N[5,6]-3:N[5,6]-3:C[6a]-3:C[6a]-3:	C[5,6]-3:B[6]-4:C[5]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](N[5,6]C[5,6]C[5])2(C[6a]C[6a]2)2	N[5,6](C[5,6]C[5,6a]N[6])(B[6]N[5,6]C[6a]2)(C[5]C[5,6a]O)	C[6a](B[6]N[5,6]2C[6a])(C[6a]C[6a]H)2	B[6](N[5,6]C[5,6]C[5])2(C[6a]C[6a]2)2{1|N<2>,2|O<1>,4|H<1>,8|C<3>}	N[5,6](C[5,6]C[5,6a]N[6])(B[6]N[5,6]C[6a]2)(C[5]C[5,6a]O){8|C<3>}	C[6a](B[6]N[5,6]2C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	109.3750	0.401	4	109.3750	0.161	4	109.3750	0.161	4	108.6415	1.969	22	108.9940	3.210	86	109.5108	6.240	98
874	542	643	0:SP3_SP2_SP2	B[6]	N[5,6]	C[6a]	3:3:3:3:	3:4:3:	4:3:3:	N[5,6]-3:N[6,6]-3:C[6a]-3:C[6a]-3:	C[5,6]-3:B[6]-4:C[5]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](N[5,6]C[5,6]C[5])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)2	N[5,6](C[5,6]C[5,6a]N[6])(B[6]N[6,6]C[6a]2)(C[5]C[5,6a]O)	C[6a](B[6]N[5,6]N[6,6]C[6a])(C[6a]C[6a]H)2	B[6](N[5,6]C[5,6]C[5])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)2{1|N<2>,1|O<1>,5|H<1>,8|C<3>}	N[5,6](C[5,6]C[5,6a]N[6])(B[6]N[6,6]C[6a]2)(C[5]C[5,6a]O){8|C<3>}	C[6a](B[6]N[5,6]N[6,6]C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	111.2160	0.187	2	111.2160	0.035	2	111.2160	0.035	2	108.6415	1.969	22	108.9940	3.210	86	109.5108	6.240	98
874	542	643	0:SP3_SP2_SP2	B[6]	N[5,6]	C[6a]	3:3:3:3:	3:4:3:	4:3:3:	N[5,6]-3:N[6]-3:C[6a]-3:C[6a]-3:	N[5,6]-3:B[6]-4:C[5]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](N[5,6]N[5,6]C[5])(N[6]C[6,6a]H)(C[6a]C[6a]2)2	N[5,6](N[5,6]C[6,6a]C[5])(B[6]C[6a]2N[6])(C[5]C[5]H)	C[6a](B[6]N[5,6]C[6a]N[6])(C[6a]C[6a]H)2	B[6](N[5,6]N[5,6]C[5])(N[6]C[6,6a]H)(C[6a]C[6a]2)2{5|H<1>,8|C<3>}	N[5,6](N[5,6]C[6,6a]C[5])(B[6]C[6a]2N[6])(C[5]C[5]H){3|H<1>,6|C<3>}	C[6a](B[6]N[5,6]C[6a]N[6])(C[6a]C[6a]H)2{1|N<3>,3|H<1>,5|C<3>}	107.9645	1.288	10	107.9645	1.660	10	107.9645	1.660	10	108.6415	1.969	22	108.9940	3.210	86	109.5108	6.240	98
874	542	643	0:SP3_SP2_SP2	B[6]	N[5,6]	C[6a]	3:3:3:3:	3:4:3:	4:3:3:	N[5a,6]-3:N[5,6]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:B[6]-4:C[5,6]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](N[5a,6]C[5a,6,6a]C[5a,6a])(N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)2	N[5,6](C[5,6a]C[5,6a]C[6a])(B[6]N[5a,6]C[6a]2)(C[5,6]C[6,6a]S[5])	C[6a](B[6]N[5a,6]N[5,6]C[6a])(C[6a]C[6a]H)2	B[6](N[5a,6]C[5a,6,6a]C[5a,6a])(N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)2{10|C<3>,1|S<2>,4|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(B[6]N[5a,6]C[6a]2)(C[5,6]C[6,6a]S[5]){1|H<1>,9|C<3>}	C[6a](B[6]N[5a,6]N[5,6]C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	108.5270	2.336	2	108.5270	5.458	2	108.4225	1.120	6	108.6415	1.969	22	108.9940	3.210	86	109.5108	6.240	98
874	542	643	0:SP3_SP2_SP2	B[6]	N[5,6]	C[6a]	3:3:3:3:	3:4:3:	4:3:3:	N[5a,6]-3:N[5,6]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:B[6]-4:C[5,6]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](N[5a,6]C[5a,6,6a]C[5a])(N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)2	N[5,6](C[5,6a]C[5,6a]C[6a])(B[6]N[5a,6]C[6a]2)(C[5,6]C[6,6a]O[5])	C[6a](B[6]N[5a,6]N[5,6]C[6a])(C[6a]C[6a]H)2	B[6](N[5a,6]C[5a,6,6a]C[5a])(N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)2{1|O<2>,5|H<1>,9|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(B[6]N[5a,6]C[6a]2)(C[5,6]C[6,6a]O[5]){1|H<1>,9|C<3>}	C[6a](B[6]N[5a,6]N[5,6]C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	108.3702	0.193	4	108.3702	0.037	4	108.4225	1.120	6	108.6415	1.969	22	108.9940	3.210	86	109.5108	6.240	98
874	542	643	0:SP3_SP2_SP2	B[6]	N[5,6]	C[6a]	3:3:3:3:	4:3:2:	4:3:3:	N[5,6]-3:N[5,6]-3:C[6a]-3:C[6a]-3:	B[6]-4:N[5,6]-3:N[5]-2:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](N[5,6]N[5,6]N[5])2(C[6a]C[6a]2)2	N[5,6](B[6]N[5,6]C[6a]2)(N[5,6]B[6]C[5])(N[5]C[5])	C[6a](B[6]N[5,6]2C[6a])(C[6a]C[6a]F)2	B[6](N[5,6]N[5,6]N[5])2(C[6a]C[6a]2)2{1|B<4>,4|F<1>,8|C<3>}	N[5,6](B[6]N[5,6]C[6a]2)(N[5,6]B[6]C[5])(N[5]C[5]){1|N<2>,1|N<3>,8|C<3>}	C[6a](B[6]N[5,6]2C[6a])(C[6a]C[6a]F)2{2|F<1>,2|N<2>,2|N<3>,3|C<3>}	109.2502	1.613	4	109.2502	2.602	4	109.2502	2.602	4	109.2502	2.602	4	108.9940	3.210	86	109.5108	6.240	98
874	542	643	0:SP3_SP2_SP2	B[6]	N[5,6]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	N[5,6]-3:N[5,6]-3:C[6a]-3:C[6a]-3:	B[6]-4:C[5,6]-3:C[5]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](N[5,6]C[5,6]C[5])2(C[6a]C[6a]2)2	N[5,6](B[6]N[5,6]C[6a]2)(C[5,6]Ge[6]N[5])(C[5]C[5]H)	C[6a](B[6]N[5,6]2C[6a])(C[6a]C[6a]H)2	B[6](N[5,6]C[5,6]C[5])2(C[6a]C[6a]2)2{1|Ge<4>,2|N<3>,6|C<3>,6|H<1>}	N[5,6](B[6]N[5,6]C[6a]2)(C[5,6]Ge[6]N[5])(C[5]C[5]H){2|C<4>,2|H<1>,6|C<3>}	C[6a](B[6]N[5,6]2C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	108.8492	2.511	4	108.8492	6.307	4	108.8492	6.307	4	108.8526	3.410	8	108.9940	3.210	86	109.5108	6.240	98
874	542	643	0:SP3_SP2_SP2	B[6]	N[5,6]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	N[5,6]-3:N[5,6]-3:C[6a]-3:C[6a]-3:	B[6]-4:N[5,6]-3:C[5]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](N[5,6]N[5,6]C[5])2(C[6a]C[6a]2)2	N[5,6](B[6]N[5,6]C[6a]2)(N[5,6]B[6]N[5])(C[5]C[5]C)	C[6a](B[6]N[5,6]2C[6a])(C[6a]C[6a]F)2	B[6](N[5,6]N[5,6]C[5])2(C[6a]C[6a]2)2{1|B<4>,2|N<2>,4|F<1>,8|C<3>}	N[5,6](B[6]N[5,6]C[6a]2)(N[5,6]B[6]N[5])(C[5]C[5]C){1|N<3>,8|C<3>}	C[6a](B[6]N[5,6]2C[6a])(C[6a]C[6a]F)2{2|F<1>,2|N<3>,5|C<3>}	108.8560	1.285	4	108.8560	1.651	4	108.8560	1.651	4	108.8526	3.410	8	108.9940	3.210	86	109.5108	6.240	98
874	542	643	0:SP3_SP2_SP2	B[6]	N[5,6]	C[6a]	3:3:3:4:	4:3:3:	4:3:3:	N[5,6]-3:N[5,6]-3:C[6a]-3:C-4:	B[6]-4:N[5,6]-3:C[5]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](N[5,6]N[5,6]C[5])2(C[6a]C[6a]2)(CC3)	N[5,6](B[6]N[5,6]C[6a]C)(N[5,6]B[6]C[5])(C[5]C[5]H)	C[6a](B[6]N[5,6]2C)(C[6a]C[6a]H)2	B[6](N[5,6]N[5,6]C[5])2(C[6a]C[6a]2)(CC3){1|B<4>,4|H<1>,6|C<3>}	N[5,6](B[6]N[5,6]C[6a]C)(N[5,6]B[6]C[5])(C[5]C[5]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](B[6]N[5,6]2C)(C[6a]C[6a]H)2{1|B<4>,1|H<1>,2|N<3>,3|C<3>}	106.2558	2.424	4	106.2558	5.878	4	106.2558	5.878	4	106.2558	5.878	4	108.9940	3.210	86	109.5108	6.240	98
874	542	643	0:SP3_SP2_SP2	B[6]	N[5,6]	C[6a]	3:4:3:3:	3:3:4:	4:3:3:	N[5,6]-3:C[6]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:B[6]-4:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6,6a]HH)(C[6a]C[6a]2)2	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]S[5])(B[6]C[6a]2C[6])	C[6a](B[6]N[5,6]C[6a]C[6])(C[6a]C[6a]C)2	B[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6,6a]HH)(C[6a]C[6a]2)2{1|S<2>,4|C<4>,8|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]S[5])(B[6]C[6a]2C[6]){3|H<1>,8|C<3>}	C[6a](B[6]N[5,6]C[6a]C[6])(C[6a]C[6a]C)2{4|H<1>,6|C<3>}	108.1630	1.454	2	108.1630	2.114	2	108.1630	2.114	2	108.1630	2.114	2	108.9940	3.210	86	109.5108	6.240	98
874	542	643	0:SP3_SP2_SP2	B[6]	N[5,6]	C[6a]	3:4:3:3:	3:4:2:	4:3:3:	N[5,6]-3:C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:B[6]-4:N[5]-2:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](N[5,6]C[5,6]N[5])(C[6]C[6,6a]HH)(C[6a]C[6a]2)2	N[5,6](C[5,6]C[6,6a]N[5])(B[6]C[6a]2C[6])(N[5]C[5])	C[6a](B[6]N[5,6]C[6a]C[6])(C[6a]C[6a]C)2	B[6](N[5,6]C[5,6]N[5])(C[6]C[6,6a]HH)(C[6a]C[6a]2)2{1|N<3>,4|C<4>,7|C<3>}	N[5,6](C[5,6]C[6,6a]N[5])(B[6]C[6a]2C[6])(N[5]C[5]){1|C<4>,2|H<1>,7|C<3>}	C[6a](B[6]N[5,6]C[6a]C[6])(C[6a]C[6a]C)2{1|N<2>,4|H<1>,5|C<3>}	109.8780	2.765	2	109.8780	7.644	2	109.8780	7.644	2	109.8780	7.644	2	108.9940	3.210	86	109.5108	6.240	98
874	542	643	0:SP3_SP2_SP2	B[6]	N[5]	C[6a]	3:3:3:2:	4:3:3:	4:3:3:	N[5]-3:C[6a]-3:O[6]-3:O[6]-2:	B[6]-4:N[5]-3:C[5]-3:	B[6]-4:C[6a]-3:C[6a]-3:	B[6](N[5]C[5]N[5])(C[6a]C[6a]2)(O[6]B[6]Ru)(O[6]B[6])	N[5](B[6]C[6a]O[6]2)(N[5]C[5]Ru)(C[5]C[5]H)	C[6a](B[6]N[5]O[6]2)(C[6a]C[6a]H)2	B[6](N[5]C[5]N[5])(C[6a]C[6a]2)(O[6]B[6]Ru)(O[6]B[6]){1|N<3>,1|O<2>,3|H<1>,6|C<3>}	N[5](B[6]C[6a]O[6]2)(N[5]C[5]Ru)(C[5]C[5]H){1|B<3>,1|B<4>,2|C<3>,2|H<1>}	C[6a](B[6]N[5]O[6]2)(C[6a]C[6a]H)2{1|Ru<9>,1|B<3>,1|B<4>,1|N<3>,2|C<3>,2|H<1>}	110.1600	1.107	2	110.1600	1.226	2	110.1600	1.226	2	110.1600	1.226	2	110.1600	1.226	2	109.5108	6.240	98
874	542	643	6:SP3_SP2_SP2	B[6]	N[5,6]	C[6,6a]	3:3:1:1:	3:3:4:	3:4:3:	C[6,6a]-3:N[5,6]-3:Cl-1:Cl-1:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5a,6,6a]-3:B[6]-4:C[6a]-3:	B[6](C[6,6a]C[5a,6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(Cl)2	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5a,6]O[5])(B[6]C[6,6a]Cl2)	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(B[6]N[5,6]Cl2)(C[6a]C[6a]H)	B[6](C[6,6a]C[5a,6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(Cl)2{1|H<1>,1|N<3>,1|O<2>,4|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5a,6]O[5])(B[6]C[6,6a]Cl2){1|H<1>,5|C<3>}	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(B[6]N[5,6]Cl2)(C[6a]C[6a]H){1|H<1>,5|C<3>}	107.7490	0.000	1	107.7490	0.000	1	107.7490	0.000	1	107.7490	0.000	1	107.7490	0.000	1	107.7490	0.000	1
874	542	762	0:SP3_SP2_SP2	B[6]	N[5]	C[6]	3:3:3:3:	4:3:3:	4:3:1:	C[6]-3:C[6]-3:N[5]-3:N[5]-3:	B[6]-4:C[5]-3:C[5]-3:	B[6]-4:C[6]-3:H-1:	B[6](C[6]C[6]Si)(C[6]C[6]H)(N[5]C[5]2)2	N[5](B[6]C[6]2N[5])(C[5]C[5]H)(C[5]N[5]H)	C[6](B[6]C[6]N[5]2)(C[6]C[6]H)(H)	B[6](C[6]C[6]Si)(C[6]C[6]H)(N[5]C[5]2)2{1|C<4>,2|C<3>,2|N<3>,6|H<1>}	N[5](B[6]C[6]2N[5])(C[5]C[5]H)(C[5]N[5]H){1|Si<4>,1|C<4>,2|H<1>,4|C<3>}	C[6](B[6]C[6]N[5]2)(C[6]C[6]H)(H){1|Si<4>,2|H<1>,5|C<3>}	108.5228	1.140	4	108.5228	1.299	4	108.5228	1.299	4	108.5228	1.299	4	109.7264	3.045	8	109.7264	3.045	8
874	542	762	0:SP3_SP2_SP2	B[6]	N[5]	C[6]	3:3:3:3:	4:3:3:	4:3:4:	C[6]-3:C[6]-3:N[5]-3:N[5]-3:	B[6]-4:C[5]-3:C[5]-3:	B[6]-4:C[6]-3:Si-4:	B[6](C[6]C[6]Si)(C[6]C[6]H)(N[5]C[5]2)2	N[5](B[6]C[6]2N[5])(C[5]C[5]H)(C[5]N[5]H)	C[6](B[6]C[6]N[5]2)(C[6]C[6]H)(SiC3)	B[6](C[6]C[6]Si)(C[6]C[6]H)(N[5]C[5]2)2{1|C<4>,2|C<3>,2|N<3>,6|H<1>}	N[5](B[6]C[6]2N[5])(C[5]C[5]H)(C[5]N[5]H){1|Si<4>,1|C<4>,2|H<1>,4|C<3>}	C[6](B[6]C[6]N[5]2)(C[6]C[6]H)(SiC3){3|H<1>,5|C<3>}	110.9300	1.394	4	110.9300	1.943	4	110.9300	1.943	4	110.9300	1.943	4	109.7264	3.045	8	109.7264	3.045	8
874	542	790	0:SP3_SP-NON_SP2	B[3x6]	N[5,6,6]	Cl	3:3:3:1:	4:3:3:	4:	N[5a,6,6]-3:N[5a,6,6]-3:N[5,6,6]-3:Cl-1:	B[3x6]-4:C[5,6]-3:C[5,6]-3:	B[3x6]-4:	B[3x6](N[5a,6,6]C[5a,6]2)2(N[5,6,6]C[5,6]2)(Cl)	N[5,6,6](B[3x6]N[5a,6,6]2Cl)(C[5,6]C[5]N[6])2	Cl(B[3x6]N[5a,6,6]2N[5,6,6])	B[3x6](N[5a,6,6]C[5a,6]2)2(N[5,6,6]C[5,6]2)(Cl){2|C<4>,3|N<2>,4|C<3>}	N[5,6,6](B[3x6]N[5a,6,6]2Cl)(C[5,6]C[5]N[6])2{4|C<3>,4|C<4>}	Cl(B[3x6]N[5a,6,6]2N[5,6,6])	111.5200	0.000	1	111.5200	0.000	1	111.5200	0.000	1	111.5200	0.000	1	111.5200	0.000	1	109.0917	5.219	3
874	542	790	0:SP3_SP-NON_SP2	B[6]	N[5,6]	Cl	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[5,6]-3:Cl-1:Cl-1:	C[5,6a]-3:C[5,6]-3:B[6]-4:	B[6]-4:	B[6](C[6,6a]C[5a,6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(Cl)2	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5a,6]O[5])(B[6]C[6,6a]Cl2)	Cl(B[6]C[6,6a]N[5,6]Cl)	B[6](C[6,6a]C[5a,6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(Cl)2{1|H<1>,1|N<3>,1|O<2>,4|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5a,6]O[5])(B[6]C[6,6a]Cl2){1|H<1>,5|C<3>}	Cl(B[6]C[6,6a]N[5,6]Cl)	107.8775	1.262	2	107.8775	1.593	2	107.8775	1.593	2	107.8775	1.593	2	107.8775	1.593	2	109.0917	5.219	3
874	542	813	0:SP3_SP2_SP2	B[3x6]	N[5]	N[5a,6,6]	3:3:3:3:	4:3:3:	4:3:3:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:N[5]-3:	B[3x6]-4:C[5]-3:C[5]-3:	B[3x6]-4:C[5a,6]-3:C[5a,6]-3:	B[3x6](N[5a,6,6]C[5a,6]2)3(N[5]C[5]2)	N[5](B[3x6]N[5a,6,6]3)(C[5]C[5,6a]O)2	N[5a,6,6](B[3x6]N[5a,6,6]2N[5])(C[5a,6]C[5a,6a]N[6])2	B[3x6](N[5a,6,6]C[5a,6]2)3(N[5]C[5]2){2|O<1>,3|N<2>,8|C<3>}	N[5](B[3x6]N[5a,6,6]3)(C[5]C[5,6a]O)2{8|C<3>}	N[5a,6,6](B[3x6]N[5a,6,6]2N[5])(C[5a,6]C[5a,6a]N[6])2{8|C<3>}	114.1022	0.964	6	114.1022	0.928	6	114.1022	0.928	6	114.1022	0.928	6	114.1022	0.928	6	110.1291	7.232	26
874	542	813	0:SP3_SP2_SP2	B[6]	N[5,6]	N[5a]	3:3:3:1:	4:3:3:	4:3:2:	N[5,6]-3:N[5,6]-3:N[5a]-3:H-1:	B[6]-4:N[5,6]-3:C[5]-3:	B[6]-4:C[5a]-3:N[5a]-2:	B[6](N[5,6]N[5,6]C[5])2(N[5a]C[5a]N[5a])(H)	N[5,6](B[6]N[5,6]N[5a]H)(N[5,6]B[6]C[5])(C[5]C[5]H)	N[5a](B[6]N[5,6]2H)(C[5a]C[5a]H)(N[5a]C[5a])	B[6](N[5,6]N[5,6]C[5])2(N[5a]C[5a]N[5a])(H){1|B<4>,2|H<1>,7|C<3>}	N[5,6](B[6]N[5,6]N[5a]H)(N[5,6]B[6]C[5])(C[5]C[5]H){1|N<2>,2|H<1>,2|N<3>,3|C<3>}	N[5a](B[6]N[5,6]2H)(C[5a]C[5a]H)(N[5a]C[5a]){1|H<1>,2|N<3>,3|C<3>}	107.6130	2.172	2	109.0313	2.752	6	109.4326	2.651	8	109.4326	2.651	8	108.9372	2.791	20	110.1291	7.232	26
874	542	813	0:SP3_SP2_SP2	B[6]	N[5,6]	N[5a]	3:3:3:1:	4:3:3:	4:3:2:	N[5,6]-3:N[5,6]-3:N[5a]-3:H-1:	B[6]-4:N[5,6]-3:C[5]-3:	B[6]-4:C[5a]-3:N[5a]-2:	B[6](N[5,6]N[5,6]C[5])2(N[5a]C[5a]N[5a])(H)	N[5,6](B[6]N[5,6]N[5a]H)(N[5,6]B[6]C[5])(C[5]C[5]H)	N[5a](B[6]N[5,6]2H)(C[5a]C[5a]H)(N[5a]C[5a])	B[6](N[5,6]N[5,6]C[5])2(N[5a]C[5a]N[5a])(H){1|B<4>,3|H<1>,6|C<3>}	N[5,6](B[6]N[5,6]N[5a]H)(N[5,6]B[6]C[5])(C[5]C[5]H){1|N<2>,2|C<3>,2|N<3>,3|H<1>}	N[5a](B[6]N[5,6]2H)(C[5a]C[5a]H)(N[5a]C[5a]){2|C<3>,2|H<1>,2|N<3>}	109.7405	1.001	4	109.0313	2.752	6	109.4326	2.651	8	109.4326	2.651	8	108.9372	2.791	20	110.1291	7.232	26
874	542	813	0:SP3_SP2_SP2	B[6]	N[5,6]	N[5a]	3:3:3:1:	4:3:3:	4:3:2:	N[5,6]-3:N[5,6]-3:N[5a]-3:H-1:	B[6]-4:N[5,6]-3:C[5]-3:	B[6]-4:C[5a]-3:N[5a]-2:	B[6](N[5,6]N[5,6]C[5])2(N[5a]C[5a]N[5a])(H)	N[5,6](B[6]N[5,6]N[5a]H)(N[5,6]B[6]C[5])(C[5]C[6a]C[5])	N[5a](B[6]N[5,6]2H)(C[5a]C[5a]H)(N[5a]C[5a])	B[6](N[5,6]N[5,6]C[5])2(N[5a]C[5a]N[5a])(H){1|B<4>,2|H<1>,7|C<3>}	N[5,6](B[6]N[5,6]N[5a]H)(N[5,6]B[6]C[5])(C[5]C[6a]C[5]){1|N<2>,2|N<3>,3|H<1>,4|C<3>}	N[5a](B[6]N[5,6]2H)(C[5a]C[5a]H)(N[5a]C[5a]){1|H<1>,2|N<3>,3|C<3>}	110.6365	0.968	2	110.6365	0.937	2	109.4326	2.651	8	109.4326	2.651	8	108.9372	2.791	20	110.1291	7.232	26
874	542	813	0:SP3_SP2_SP2	B[6]	N[5,6]	N[5a]	3:3:3:2:	4:3:3:	4:3:2:	N[5,6]-3:N[5,6]-3:N[5a]-3:O-2:	B[6]-4:N[5,6]-3:C[5]-3:	B[6]-4:C[5a]-3:N[5a]-2:	B[6](N[5,6]N[5,6]C[5])2(N[5a]C[5a]N[5a])(OB[6])	N[5,6](B[6]N[5,6]N[5a]O)(N[5,6]B[6]C[5])(C[5]C[5]H)	N[5a](B[6]N[5,6]2O)(C[5a]C[5a]H)(N[5a]C[5a])	B[6](N[5,6]N[5,6]C[5])2(N[5a]C[5a]N[5a])(OB[6]){1|B<4>,3|H<1>,6|C<3>}	N[5,6](B[6]N[5,6]N[5a]O)(N[5,6]B[6]C[5])(C[5]C[5]H){1|N<2>,1|O<2>,2|C<3>,2|H<1>,2|N<3>}	N[5a](B[6]N[5,6]2O)(C[5a]C[5a]H)(N[5a]C[5a]){2|C<3>,2|H<1>,2|N<3>}	107.9133	0.607	4	107.9133	0.368	4	107.9133	0.368	4	107.9133	0.368	4	108.9372	2.791	20	110.1291	7.232	26
874	542	813	0:SP3_SP2_SP2	B[6]	N[5,6]	N[5a]	3:3:3:3:	4:3:3:	4:3:2:	N[5,6]-3:N[5,6]-3:N[5a]-3:N[5a]-3:	B[6]-4:N[5,6]-3:C[5]-3:	B[6]-4:C[5a]-3:N[5a]-2:	B[6](N[5,6]N[5,6]C[5])2(N[5a]C[5a]N[5a])2	N[5,6](B[6]N[5,6]N[5a]2)(N[5,6]B[6]C[5])(C[5]C[5]H)	N[5a](B[6]N[5,6]2N[5a])(C[5a]C[5a]H)(N[5a]C[5a])	B[6](N[5,6]N[5,6]C[5])2(N[5a]C[5a]N[5a])2{1|B<4>,4|H<1>,8|C<3>}	N[5,6](B[6]N[5,6]N[5a]2)(N[5,6]B[6]C[5])(C[5]C[5]H){2|H<1>,2|N<2>,3|C<3>,3|N<3>}	N[5a](B[6]N[5,6]2N[5a])(C[5a]C[5a]H)(N[5a]C[5a]){1|N<2>,2|H<1>,2|N<3>,3|C<3>}	108.9537	1.971	8	108.9537	3.886	8	108.9537	3.886	8	108.9537	3.886	8	108.9372	2.791	20	110.1291	7.232	26
874	542	813	6:SP3_SP2_SP2	B[3x6]	N[5,6,6]	N[5a,6,6]	3:3:3:1:	4:3:3:	4:3:3:	N[5a,6,6]-3:N[5a,6,6]-3:N[5,6,6]-3:Cl-1:	B[3x6]-4:C[5,6]-3:C[5,6]-3:	B[3x6]-4:C[5a,6]-3:C[5a,6]-3:	B[3x6](N[5a,6,6]C[5a,6]2)2(N[5,6,6]C[5,6]2)(Cl)	N[5,6,6](B[3x6]N[5a,6,6]2Cl)(C[5,6]C[5]N[6])2	N[5a,6,6](B[3x6]N[5a,6,6]N[5,6,6]Cl)(C[5a,6]C[5a,6a]N[6])2	B[3x6](N[5a,6,6]C[5a,6]2)2(N[5,6,6]C[5,6]2)(Cl){2|C<4>,3|N<2>,4|C<3>}	N[5,6,6](B[3x6]N[5a,6,6]2Cl)(C[5,6]C[5]N[6])2{4|C<3>,4|C<4>}	N[5a,6,6](B[3x6]N[5a,6,6]N[5,6,6]Cl)(C[5a,6]C[5a,6a]N[6])2{6|C<3>}	105.4600	0.730	2	105.4600	0.533	2	105.4600	0.533	2	105.4600	0.533	2	105.4600	0.533	2	105.0439	2.441	25
874	542	813	6:SP3_SP2_SP2	B[6]	N[5,6]	N[5a,6]	3:3:1:1:	3:3:4:	3:3:4:	N[5a,6]-3:N[5,6]-3:F-1:F-1:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5a,6,6a]-3:C[5a,6a]-3:B[6]-4:	B[6](N[5a,6]C[5a,6,6a]C[5a,6a])(N[5,6]C[5,6a]C[5,6])(F)2	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5])(B[6]N[5a,6]FF)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[5,6]FF)	B[6](N[5a,6]C[5a,6,6a]C[5a,6a])(N[5,6]C[5,6a]C[5,6])(F)2{1|O<2>,6|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5])(B[6]N[5a,6]FF){1|H<1>,5|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[5,6]FF){1|H<1>,6|C<3>}	104.2270	0.000	1	104.2270	0.000	1	104.2270	0.000	1	104.2143	1.409	3	105.0077	2.622	23	105.0439	2.441	25
874	542	813	6:SP3_SP2_SP2	B[6]	N[5,6]	N[5a,6]	3:3:1:1:	3:3:4:	3:3:4:	N[5a,6]-3:N[5,6]-3:F-1:F-1:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[5,6]C[5,6a]C[5,6])(F)2	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]N[5a,6]FF)	N[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6]C[5a,6a]C[6])(B[6]N[5,6]FF)	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[5,6]C[5,6a]C[5,6])(F)2{1|S<2>,6|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]N[5a,6]FF){1|C<2>,1|H<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6]C[5a,6a]C[6])(B[6]N[5,6]FF){1|C<2>,1|H<1>,5|C<3>}	105.3950	0.000	1	105.3950	0.000	1	104.2080	2.818	2	104.2143	1.409	3	105.0077	2.622	23	105.0439	2.441	25
874	542	813	6:SP3_SP2_SP2	B[6]	N[5,6]	N[5a,6]	3:3:1:1:	3:3:4:	3:3:4:	N[5a,6]-3:N[5,6]-3:F-1:F-1:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[5,6]C[5,6a]C[5,6])(F)2	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(B[6]N[5a,6]FF)	N[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6]C[5a,6a]N[6])(B[6]N[5,6]FF)	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[5,6]C[5,6a]C[5,6])(F)2{1|N<2>,1|S<2>,5|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(B[6]N[5a,6]FF){1|H<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6]C[5a,6a]N[6])(B[6]N[5,6]FF){1|H<1>,5|C<3>}	103.0210	0.000	1	103.0210	0.000	1	104.2080	2.818	2	104.2143	1.409	3	105.0077	2.622	23	105.0439	2.441	25
874	542	813	6:SP3_SP2_SP2	B[6]	N[5,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:3:4:	N[5a,6]-3:N[5,6]-3:F-1:F-1:	C[5,6]-3:B[6]-4:C[5]-3:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[5,6]C[5,6]C[5])(F)2	N[5,6](C[5,6]N[6]S[5])(B[6]N[5a,6]FF)(C[5]C[5]C)	N[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6]C[5a,6a]N[6])(B[6]N[5,6]FF)	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[5,6]C[5,6]C[5])(F)2{1|C<4>,1|N<2>,1|S<2>,4|C<3>}	N[5,6](C[5,6]N[6]S[5])(B[6]N[5a,6]FF)(C[5]C[5]C){1|H<1>,2|C<3>}	N[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6]C[5a,6a]N[6])(B[6]N[5,6]FF){1|H<1>,5|C<3>}	103.8275	0.097	2	103.8275	0.009	2	103.8275	0.009	2	103.8275	0.009	2	105.0077	2.622	23	105.0439	2.441	25
874	542	813	6:SP3_SP2_SP2	B[6]	N[5,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5,6]-3:F-1:F-1:	C[5,6]-3:B[6]-4:C[5]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(F)2	N[5,6](C[5,6]C[5]C[6])(B[6]N[5a,6]FF)(C[5]C[5]C)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]FF)(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(F)2{1|C<2>,2|C<4>,4|C<3>}	N[5,6](C[5,6]C[5]C[6])(B[6]N[5a,6]FF)(C[5]C[5]C){1|C<4>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]FF)(C[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	107.1900	0.000	1	107.1785	0.000	2	106.9348	0.088	4	106.5801	0.458	8	105.0077	2.622	23	105.0439	2.441	25
874	542	813	6:SP3_SP2_SP2	B[6]	N[5,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5,6]-3:F-1:F-1:	C[5,6]-3:B[6]-4:C[5]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(F)2	N[5,6](C[5,6]C[5]C[6])(B[6]N[5a,6]FF)(C[5]C[5]C)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]FF)(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(F)2{1|C<2>,2|C<4>,4|C<3>}	N[5,6](C[5,6]C[5]C[6])(B[6]N[5a,6]FF)(C[5]C[5]C){1|C<4>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]FF)(C[5a]C[5a]C){2|C<4>,3|C<3>}	107.1670	0.000	1	107.1785	0.000	2	106.9348	0.088	4	106.5801	0.458	8	105.0077	2.622	23	105.0439	2.441	25
874	542	813	6:SP3_SP2_SP2	B[6]	N[5,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5,6]-3:F-1:F-1:	C[5,6]-3:B[6]-4:C[5]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(F)2	N[5,6](C[5,6]C[5]C[6])(B[6]N[5a,6]FF)(C[5]C[5]C)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]FF)(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(F)2{1|H<1>,3|C<3>,3|C<4>}	N[5,6](C[5,6]C[5]C[6])(B[6]N[5a,6]FF)(C[5]C[5]C){2|C<3>,2|C<4>,3|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]FF)(C[5a]C[5a]H){1|Br<1>,1|H<1>,3|C<3>}	106.5800	0.000	1	106.5800	0.000	1	106.9348	0.088	4	106.5801	0.458	8	105.0077	2.622	23	105.0439	2.441	25
874	542	813	6:SP3_SP2_SP2	B[6]	N[5,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5,6]-3:F-1:F-1:	C[5,6]-3:B[6]-4:C[5]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(F)2	N[5,6](C[5,6]C[5]C[6])(B[6]N[5a,6]FF)(C[5]C[5]O)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]FF)(C[5a]C[5a]N)	B[6](N[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(F)2{1|N<4>,1|O<1>,5|C<3>}	N[5,6](C[5,6]C[5]C[6])(B[6]N[5a,6]FF)(C[5]C[5]O){2|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]FF)(C[5a]C[5a]N){2|H<1>,3|C<3>}	106.8020	0.000	1	106.8020	0.000	1	106.9348	0.088	4	106.5801	0.458	8	105.0077	2.622	23	105.0439	2.441	25
874	542	813	6:SP3_SP2_SP2	B[6]	N[5,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5,6]-3:F-1:F-1:	N[5,6]-3:B[6]-4:C[5]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])(N[5,6]N[5,6]C[5])(F)2	N[5,6](N[5,6]B[5]C[6])(B[6]N[5a,6]FF)(C[5]C[5a]O[5])	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]FF)(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])(N[5,6]N[5,6]C[5])(F)2{1|B<4>,1|C<4>,1|O<2>,4|C<3>}	N[5,6](N[5,6]B[5]C[6])(B[6]N[5a,6]FF)(C[5]C[5a]O[5]){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]FF)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	106.7960	0.000	1	106.5350	0.394	3	106.2255	0.646	4	106.5801	0.458	8	105.0077	2.622	23	105.0439	2.441	25
874	542	813	6:SP3_SP2_SP2	B[6]	N[5,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5,6]-3:F-1:F-1:	N[5,6]-3:B[6]-4:C[5]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])(N[5,6]N[5,6]C[5])(F)2	N[5,6](N[5,6]B[5]C[6])(B[6]N[5a,6]FF)(C[5]C[5a]O[5])	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]FF)(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])(N[5,6]N[5,6]C[5])(F)2{1|B<4>,1|C<4>,1|O<2>,4|C<3>}	N[5,6](N[5,6]B[5]C[6])(B[6]N[5a,6]FF)(C[5]C[5a]O[5]){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]FF)(C[5a]C[5a]C){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	106.9900	0.000	1	106.5350	0.394	3	106.2255	0.646	4	106.5801	0.458	8	105.0077	2.622	23	105.0439	2.441	25
874	542	813	6:SP3_SP2_SP2	B[6]	N[5,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5,6]-3:F-1:F-1:	N[5,6]-3:B[6]-4:C[5]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])(N[5,6]N[5,6]C[5])(F)2	N[5,6](N[5,6]B[5]C[6])(B[6]N[5a,6]FF)(C[5]C[5a]O[5])	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]FF)(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])(N[5,6]N[5,6]C[5])(F)2{1|B<4>,1|C<4>,1|O<2>,4|C<3>}	N[5,6](N[5,6]B[5]C[6])(B[6]N[5a,6]FF)(C[5]C[5a]O[5]){1|H<1>,1|O<2>,2|F<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]FF)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	105.8190	0.000	1	106.5350	0.394	3	106.2255	0.646	4	106.5801	0.458	8	105.0077	2.622	23	105.0439	2.441	25
874	542	813	6:SP3_SP2_SP2	B[6]	N[5,6]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5a,6]-3:N[5,6]-3:F-1:F-1:	N[5,6]-3:B[6]-4:C[5]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])(N[5,6]N[5,6]C[5])(F)2	N[5,6](N[5,6]B[5]C[6])(B[6]N[5a,6]FF)(C[5]O[5]C)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]FF)(C[5a]C[5a]C)	B[6](N[5a,6]C[5a,6]C[5a])(N[5,6]N[5,6]C[5])(F)2{1|B<4>,1|O<2>,2|C<4>,3|C<3>}	N[5,6](N[5,6]B[5]C[6])(B[6]N[5a,6]FF)(C[5]O[5]C){1|H<1>,2|C<3>,2|F<1>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]FF)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	105.2970	0.000	1	105.2970	0.000	1	106.2255	0.646	4	106.5801	0.458	8	105.0077	2.622	23	105.0439	2.441	25
874	542	813	6:SP3_SP2_SP2	B[6]	N[5,6]	N[5a,6]	3:3:2:2:	3:3:4:	3:3:4:	N[5a,6]-3:N[5,6]-3:C-2:C-2:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5a,6,6a]-3:C[5a,6a]-3:B[6]-4:	B[6](N[5a,6]C[5a,6,6a]C[5a,6a])(N[5,6]C[5,6a]C[5,6])(CN)2	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]S[5])(B[6]N[5a,6]CC)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[5,6]CC)	B[6](N[5a,6]C[5a,6,6a]C[5a,6a])(N[5,6]C[5,6a]C[5,6])(CN)2{1|S<2>,6|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]S[5])(B[6]N[5a,6]CC){1|H<1>,5|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[5,6]CC){1|H<1>,6|C<3>}	107.5300	0.000	1	107.5300	0.000	1	107.5300	0.000	1	105.6537	2.952	3	105.0077	2.622	23	105.0439	2.441	25
874	542	813	6:SP3_SP2_SP2	B[6]	N[5,6]	N[5a,6]	3:3:2:2:	3:3:4:	3:3:4:	N[5a,6]-3:N[5,6]-3:O-2:O-2:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5a,6,6]-3:C[5a,6a]-3:B[6]-4:	B[6](N[5a,6]C[5a,6,6]C[5a,6a])(N[5,6]C[5,6a]C[5,6])(OC[6a])2	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]S[5])(B[6]N[5a,6]OO)	N[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[5,6]OO)	B[6](N[5a,6]C[5a,6,6]C[5a,6a])(N[5,6]C[5,6a]C[5,6])(OC[6a])2{1|S<2>,6|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]S[5])(B[6]N[5a,6]OO){1|C<2>,1|H<1>,4|C<3>}	N[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[5,6]OO){1|C<2>,1|H<1>,5|C<3>}	105.2740	0.000	1	105.2740	0.000	1	105.2740	0.000	1	105.6537	2.952	3	105.0077	2.622	23	105.0439	2.441	25
874	542	813	6:SP3_SP2_SP2	B[6]	N[5,6]	N[5a,6]	3:3:2:2:	3:3:4:	3:3:4:	N[5a,6]-3:N[5,6]-3:O-2:O-2:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5a,6,6a]-3:C[5a,6a]-3:B[6]-4:	B[6](N[5a,6]C[5a,6,6a]C[5a,6a])(N[5,6]C[5,6a]C[5,6])(OC[6a])2	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5])(B[6]N[5a,6]OO)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[5,6]OO)	B[6](N[5a,6]C[5a,6,6a]C[5a,6a])(N[5,6]C[5,6a]C[5,6])(OC[6a])2{1|O<2>,6|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5])(B[6]N[5a,6]OO){1|H<1>,5|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[5,6]OO){1|H<1>,6|C<3>}	104.1570	0.000	1	104.1570	0.000	1	104.1570	0.000	1	105.6537	2.952	3	105.0077	2.622	23	105.0439	2.441	25
874	542	813	6:SP3_SP2_SP2	B[6]	N[5,6]	N[5a,6]	3:3:3:3:	3:4:3:	3:3:4:	N[5a,6]-3:N[5,6]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:B[6]-4:C[5,6]-3:	C[5a,6,6a]-3:C[5a,6a]-3:B[6]-4:	B[6](N[5a,6]C[5a,6,6a]C[5a,6a])(N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)2	N[5,6](C[5,6a]C[5,6a]C[6a])(B[6]N[5a,6]C[6a]2)(C[5,6]C[6,6a]S[5])	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[5,6]C[6a]2)	B[6](N[5a,6]C[5a,6,6a]C[5a,6a])(N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)2{10|C<3>,1|S<2>,4|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(B[6]N[5a,6]C[6a]2)(C[5,6]C[6,6a]S[5]){1|H<1>,9|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[5,6]C[6a]2){10|C<3>,1|H<1>}	103.1430	0.000	1	103.1430	0.000	1	103.1430	0.000	1	103.1430	0.000	1	105.0077	2.622	23	105.0439	2.441	25
874	542	813	6:SP3_SP2_SP2	B[6]	N[5,6]	N[5a,6]	3:3:3:3:	3:4:3:	3:4:3:	N[5a,6]-3:N[5,6]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:B[6]-4:C[5,6]-3:	C[5a,6,6a]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6,6a]C[5a])(N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)2	N[5,6](C[5,6a]C[5,6a]C[6a])(B[6]N[5a,6]C[6a]2)(C[5,6]C[6,6a]O[5])	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[6]N[5,6]C[6a]2)(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6,6a]C[5a])(N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)2{1|O<2>,5|H<1>,9|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(B[6]N[5a,6]C[6a]2)(C[5,6]C[6,6a]O[5]){1|H<1>,9|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[6]N[5,6]C[6a]2)(C[5a]C[5a]H){1|H<1>,8|C<3>}	102.3210	0.127	2	102.3210	0.016	2	102.3210	0.016	2	102.3210	0.016	2	105.0077	2.622	23	105.0439	2.441	25
874	542	813	6:SP3_SP2_SP2	B[6]	N[5,6]	N[5a,6]	3:3:4:4:	3:4:3:	3:4:3:	N[5a,6]-3:N[5,6]-3:C-4:C-4:	C[5,6]-3:B[6]-4:C[5]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(CCHH)2	N[5,6](C[5,6]C[5]C[6])(B[6]N[5a,6]CC)(C[5]C[5]C)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]CC)(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(CCHH)2{1|H<1>,3|C<3>,3|C<4>}	N[5,6](C[5,6]C[5]C[6])(B[6]N[5a,6]CC)(C[5]C[5]C){2|C<3>,2|C<4>,3|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]CC)(C[5a]C[5a]H){1|Br<1>,1|H<1>,3|C<3>}	104.2700	0.000	1	104.1375	0.035	2	104.1375	0.035	2	104.1375	0.035	2	105.0077	2.622	23	105.0439	2.441	25
874	542	813	6:SP3_SP2_SP2	B[6]	N[5,6]	N[5a,6]	3:3:4:4:	3:4:3:	3:4:3:	N[5a,6]-3:N[5,6]-3:C-4:C-4:	C[5,6]-3:B[6]-4:C[5]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(CCHH)2	N[5,6](C[5,6]C[5]C[6])(B[6]N[5a,6]CC)(C[5]C[5]C)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]CC)(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(CCHH)2{1|H<1>,3|C<3>,3|C<4>}	N[5,6](C[5,6]C[5]C[6])(B[6]N[5a,6]CC)(C[5]C[5]C){2|C<3>,2|C<4>,3|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]CC)(C[5a]C[5a]H){2|H<1>,3|C<3>}	104.0050	0.000	1	104.1375	0.035	2	104.1375	0.035	2	104.1375	0.035	2	105.0077	2.622	23	105.0439	2.441	25
874	542	813	6:SP3_SP2_SP2	B[6]	N[5,6]	N[5a,6]	3:3:4:4:	4:4:3:	3:4:3:	N[5a,6]-3:N[5,6]-3:C-4:C-4:	C[5,6]-4:B[6]-4:C[5]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(CCHH)2	N[5,6](C[5,6]C[5]C[6]H)(B[6]N[5a,6]CC)(C[5]C[5]C)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]CC)(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(CCHH)2{2|C<3>,2|H<1>,4|C<4>}	N[5,6](C[5,6]C[5]C[6]H)(B[6]N[5a,6]CC)(C[5]C[5]C){2|C<3>,2|C<4>,4|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]CC)(C[5a]C[5a]H){1|Br<1>,1|C<3>,1|C<4>,3|H<1>}	104.2690	0.000	1	104.6090	0.231	2	104.6090	0.231	2	104.6090	0.231	2	105.0077	2.622	23	105.0439	2.441	25
874	542	813	6:SP3_SP2_SP2	B[6]	N[5,6]	N[5a,6]	3:3:4:4:	4:4:3:	3:4:3:	N[5a,6]-3:N[5,6]-3:C-4:C-4:	C[5,6]-4:B[6]-4:C[5]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	B[6](N[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(CCHH)2	N[5,6](C[5,6]C[5]C[6]H)(B[6]N[5a,6]CC)(C[5]C[5]C)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]CC)(C[5a]C[5a]H)	B[6](N[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(CCHH)2{2|C<3>,2|H<1>,4|C<4>}	N[5,6](C[5,6]C[5]C[6]H)(B[6]N[5a,6]CC)(C[5]C[5]C){2|C<3>,2|C<4>,4|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]CC)(C[5a]C[5a]H){1|C<3>,1|C<4>,4|H<1>}	104.9490	0.000	1	104.6090	0.231	2	104.6090	0.231	2	104.6090	0.231	2	105.0077	2.622	23	105.0439	2.441	25
874	542	830	0:SP3_SP-NON_SP2	B[6]	N[5,6]	F	3:2:1:1:	3:3:4:	4:	N[5,6]-3:O[6]-2:F-1:F-1:	C[5,6]-3:C[5]-3:B[6]-4:	B[6]-4:	B[6](N[5,6]C[5,6]C[5])(O[6]C[6,6a])(F)2	N[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]C[5])(B[6]O[6]FF)	F(B[6]N[5,6]O[6]F)	B[6](N[5,6]C[5,6]C[5])(O[6]C[6,6a])(F)2{1|N<3>,4|C<3>}	N[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]C[5])(B[6]O[6]FF){6|C<3>}	F(B[6]N[5,6]O[6]F)	109.0803	1.446	6	109.0803	2.090	6	109.5393	1.591	10	109.5718	1.106	70	109.8915	1.974	209	109.8915	1.974	209
874	542	830	0:SP3_SP-NON_SP2	B[6]	N[5,6]	F	3:2:1:1:	3:3:4:	4:	N[5,6]-3:O[6]-2:F-1:F-1:	C[5,6]-3:C[5]-3:B[6]-4:	B[6]-4:	B[6](N[5,6]C[5,6]C[5])(O[6]C[6])(F)2	N[5,6](C[5,6]N[6]S[5])(C[5]C[6a]C[5])(B[6]O[6]FF)	F(B[6]N[5,6]O[6]F)	B[6](N[5,6]C[5,6]C[5])(O[6]C[6])(F)2{1|N<2>,1|S<2>,3|C<3>}	N[5,6](C[5,6]N[6]S[5])(C[5]C[6a]C[5])(B[6]O[6]FF){1|H<1>,3|C<3>}	F(B[6]N[5,6]O[6]F)	110.2278	0.487	4	110.2278	0.237	4	109.5393	1.591	10	109.5718	1.106	70	109.8915	1.974	209	109.8915	1.974	209
874	542	830	0:SP3_SP-NON_SP2	B[6]	N[5,6]	F	3:2:1:1:	3:3:4:	4:	N[5,6]-3:O[6]-2:F-1:F-1:	C[5,6a]-3:C[5,6]-3:B[6]-4:	B[6]-4:	B[6](N[5,6]C[5,6a]C[5,6])(O[6]C[5a,6])(F)2	N[5,6](C[5,6a]N[5,6a]C[6a])(C[5,6]C[5a,6]C[5])(B[6]O[6]FF)	F(B[6]N[5,6]O[6]F)	B[6](N[5,6]C[5,6a]C[5,6])(O[6]C[5a,6])(F)2{1|N<2>,1|N<3>,3|C<3>}	N[5,6](C[5,6a]N[5,6a]C[6a])(C[5,6]C[5a,6]C[5])(B[6]O[6]FF){1|N<3>,2|H<1>,3|C<3>}	F(B[6]N[5,6]O[6]F)	109.0782	1.833	4	109.0782	3.361	4	109.5772	1.050	60	109.5718	1.106	70	109.8915	1.974	209	109.8915	1.974	209
874	542	830	0:SP3_SP-NON_SP2	B[6]	N[5,6]	F	3:2:1:1:	3:3:4:	4:	N[5,6]-3:O[6]-2:F-1:F-1:	C[5,6a]-3:C[5,6]-3:B[6]-4:	B[6]-4:	B[6](N[5,6]C[5,6a]C[5,6])(O[6]C[6,6])(F)2	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]S[5])(B[6]O[6]FF)	F(B[6]N[5,6]O[6]F)	B[6](N[5,6]C[5,6a]C[5,6])(O[6]C[6,6])(F)2{1|N<3>,1|S<2>,3|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]S[5])(B[6]O[6]FF){1|H<1>,1|N<2>,3|C<3>}	F(B[6]N[5,6]O[6]F)	109.0062	0.466	4	109.0062	0.218	4	109.5772	1.050	60	109.5718	1.106	70	109.8915	1.974	209	109.8915	1.974	209
874	542	830	0:SP3_SP-NON_SP2	B[6]	N[5,6]	F	3:2:1:1:	3:3:4:	4:	N[5,6]-3:O[6]-2:F-1:F-1:	C[5,6a]-3:C[5,6]-3:B[6]-4:	B[6]-4:	B[6](N[5,6]C[5,6a]C[5,6])(O[6]C[6,6a])(F)2	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(B[6]O[6]FF)	F(B[6]N[5,6]O[6]F)	B[6](N[5,6]C[5,6a]C[5,6])(O[6]C[6,6a])(F)2{1|C<4>,4|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(B[6]O[6]FF){1|H<1>,2|C<4>,4|C<3>}	F(B[6]N[5,6]O[6]F)	109.0150	1.502	2	109.0150	2.256	2	109.5772	1.050	60	109.5718	1.106	70	109.8915	1.974	209	109.8915	1.974	209
874	542	830	0:SP3_SP-NON_SP2	B[6]	N[5,6]	F	3:2:1:1:	3:3:4:	4:	N[5,6]-3:O[6]-2:F-1:F-1:	C[5,6a]-3:C[5,6]-3:B[6]-4:	B[6]-4:	B[6](N[5,6]C[5,6a]C[5,6])(O[6]C[6,6a])(F)2	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5])(B[6]O[6]FF)	F(B[6]N[5,6]O[6]F)	B[6](N[5,6]C[5,6a]C[5,6])(O[6]C[6,6a])(F)2{1|O<2>,4|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5])(B[6]O[6]FF){1|H<1>,4|C<3>}	F(B[6]N[5,6]O[6]F)	107.7800	1.427	2	107.7800	2.036	2	109.5772	1.050	60	109.5718	1.106	70	109.8915	1.974	209	109.8915	1.974	209
874	542	830	0:SP3_SP-NON_SP2	B[6]	N[5,6]	F	3:2:1:1:	3:3:4:	4:	N[5,6]-3:O[6]-2:F-1:F-1:	C[5,6a]-3:C[5,6]-3:B[6]-4:	B[6]-4:	B[6](N[5,6]C[5,6a]C[5,6])(O[6]C[6])(F)2	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5])(B[6]O[6]FF)	F(B[6]N[5,6]O[6]F)	B[6](N[5,6]C[5,6a]C[5,6])(O[6]C[6])(F)2{1|O<2>,4|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5])(B[6]O[6]FF){2|H<1>,3|C<3>}	F(B[6]N[5,6]O[6]F)	109.5698	0.795	12	109.5698	0.632	12	109.5772	1.050	60	109.5718	1.106	70	109.8915	1.974	209	109.8915	1.974	209
874	542	830	0:SP3_SP-NON_SP2	B[6]	N[5,6]	F	3:2:1:1:	3:3:4:	4:	N[5,6]-3:O[6]-2:F-1:F-1:	C[5,6a]-3:C[5,6]-3:B[6]-4:	B[6]-4:	B[6](N[5,6]C[5,6a]C[5,6])(O[6]C[6])(F)2	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]O[6]FF)	F(B[6]N[5,6]O[6]F)	B[6](N[5,6]C[5,6a]C[5,6])(O[6]C[6])(F)2{1|S<2>,4|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]O[6]FF){1|H<1>,4|C<3>}	F(B[6]N[5,6]O[6]F)	109.2773	0.960	6	109.3585	1.068	10	109.5772	1.050	60	109.5718	1.106	70	109.8915	1.974	209	109.8915	1.974	209
874	542	830	0:SP3_SP-NON_SP2	B[6]	N[5,6]	F	3:2:1:1:	3:3:4:	4:	N[5,6]-3:O[6]-2:F-1:F-1:	C[5,6a]-3:C[5,6]-3:B[6]-4:	B[6]-4:	B[6](N[5,6]C[5,6a]C[5,6])(O[6]C[6])(F)2	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]O[6]FF)	F(B[6]N[5,6]O[6]F)	B[6](N[5,6]C[5,6a]C[5,6])(O[6]C[6])(F)2{1|S<2>,4|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]O[6]FF){2|H<1>,3|C<3>}	F(B[6]N[5,6]O[6]F)	109.4802	1.279	4	109.3585	1.068	10	109.5772	1.050	60	109.5718	1.106	70	109.8915	1.974	209	109.8915	1.974	209
874	542	830	0:SP3_SP-NON_SP2	B[6]	N[5,6]	F	3:2:1:1:	3:3:4:	4:	N[5,6]-3:O[6]-2:F-1:F-1:	C[5,6a]-3:C[5,6]-3:B[6]-4:	B[6]-4:	B[6](N[5,6]C[5,6a]C[5,6])(O[6]C[6])(F)2	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(B[6]O[6]FF)	F(B[6]N[5,6]O[6]F)	B[6](N[5,6]C[5,6a]C[5,6])(O[6]C[6])(F)2{1|N<2>,1|S<2>,3|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(B[6]O[6]FF){1|F<1>,3|C<3>}	F(B[6]N[5,6]O[6]F)	109.6475	0.504	2	110.0108	0.625	26	109.5772	1.050	60	109.5718	1.106	70	109.8915	1.974	209	109.8915	1.974	209
874	542	830	0:SP3_SP-NON_SP2	B[6]	N[5,6]	F	3:2:1:1:	3:3:4:	4:	N[5,6]-3:O[6]-2:F-1:F-1:	C[5,6a]-3:C[5,6]-3:B[6]-4:	B[6]-4:	B[6](N[5,6]C[5,6a]C[5,6])(O[6]C[6])(F)2	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(B[6]O[6]FF)	F(B[6]N[5,6]O[6]F)	B[6](N[5,6]C[5,6a]C[5,6])(O[6]C[6])(F)2{1|N<2>,1|S<2>,3|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(B[6]O[6]FF){1|H<1>,3|C<3>}	F(B[6]N[5,6]O[6]F)	110.0411	0.810	24	110.0108	0.625	26	109.5772	1.050	60	109.5718	1.106	70	109.8915	1.974	209	109.8915	1.974	209
874	542	830	0:SP3_SP-NON_SP2	B[6]	N[5,6]	F	3:2:1:1:	3:4:3:	4:	N[5,6]-3:O[6]-2:F-1:F-1:	C[5,6]-3:B[6]-4:C[5]-3:	B[6]-4:	B[6](N[5,6]C[5,6]C[5])(O[6]C[6])(F)2	N[5,6](C[5,6]N[6]S[5])(B[6]O[6]FF)(C[5]C[5]C)	F(B[6]N[5,6]O[6]F)	B[6](N[5,6]C[5,6]C[5])(O[6]C[6])(F)2{1|C<4>,1|N<2>,1|S<2>,2|C<3>}	N[5,6](C[5,6]N[6]S[5])(B[6]O[6]FF)(C[5]C[5]C){1|C<3>,1|C<4>}	F(B[6]N[5,6]O[6]F)	109.8535	0.971	2	110.2755	0.688	6	110.0554	0.568	14	110.0554	0.568	14	109.8915	1.974	209	109.8915	1.974	209
874	542	830	0:SP3_SP-NON_SP2	B[6]	N[5,6]	F	3:2:1:1:	3:4:3:	4:	N[5,6]-3:O[6]-2:F-1:F-1:	C[5,6]-3:B[6]-4:C[5]-3:	B[6]-4:	B[6](N[5,6]C[5,6]C[5])(O[6]C[6])(F)2	N[5,6](C[5,6]N[6]S[5])(B[6]O[6]FF)(C[5]C[5]C)	F(B[6]N[5,6]O[6]F)	B[6](N[5,6]C[5,6]C[5])(O[6]C[6])(F)2{1|C<4>,1|N<2>,1|S<2>,2|C<3>}	N[5,6](C[5,6]N[6]S[5])(B[6]O[6]FF)(C[5]C[5]C){2|C<3>}	F(B[6]N[5,6]O[6]F)	109.9690	0.342	2	110.2755	0.688	6	110.0554	0.568	14	110.0554	0.568	14	109.8915	1.974	209	109.8915	1.974	209
874	542	830	0:SP3_SP-NON_SP2	B[6]	N[5,6]	F	3:2:1:1:	3:4:3:	4:	N[5,6]-3:O[6]-2:F-1:F-1:	C[5,6]-3:B[6]-4:C[5]-3:	B[6]-4:	B[6](N[5,6]C[5,6]C[5])(O[6]C[6])(F)2	N[5,6](C[5,6]N[6]S[5])(B[6]O[6]FF)(C[5]C[5]C)	F(B[6]N[5,6]O[6]F)	B[6](N[5,6]C[5,6]C[5])(O[6]C[6])(F)2{1|N<2>,1|S<2>,3|C<3>}	N[5,6](C[5,6]N[6]S[5])(B[6]O[6]FF)(C[5]C[5]C){1|C<3>,1|H<1>}	F(B[6]N[5,6]O[6]F)	111.0040	0.880	2	110.2755	0.688	6	110.0554	0.568	14	110.0554	0.568	14	109.8915	1.974	209	109.8915	1.974	209
874	542	830	0:SP3_SP-NON_SP2	B[6]	N[5,6]	F	3:2:1:1:	3:4:3:	4:	N[5,6]-3:O[6]-2:F-1:F-1:	C[5,6]-3:B[6]-4:C[5]-3:	B[6]-4:	B[6](N[5,6]C[5,6]C[5])(O[6]C[6])(F)2	N[5,6](C[5,6]N[6]S[5])(B[6]O[6]FF)(C[5]C[5]H)	F(B[6]N[5,6]O[6]F)	B[6](N[5,6]C[5,6]C[5])(O[6]C[6])(F)2{1|H<1>,1|N<2>,1|S<2>,2|C<3>}	N[5,6](C[5,6]N[6]S[5])(B[6]O[6]FF)(C[5]C[5]H){1|C<3>,1|C<4>}	F(B[6]N[5,6]O[6]F)	109.8445	0.687	2	109.8903	0.491	8	110.0554	0.568	14	110.0554	0.568	14	109.8915	1.974	209	109.8915	1.974	209
874	542	830	0:SP3_SP-NON_SP2	B[6]	N[5,6]	F	3:2:1:1:	3:4:3:	4:	N[5,6]-3:O[6]-2:F-1:F-1:	C[5,6]-3:B[6]-4:C[5]-3:	B[6]-4:	B[6](N[5,6]C[5,6]C[5])(O[6]C[6])(F)2	N[5,6](C[5,6]N[6]S[5])(B[6]O[6]FF)(C[5]C[5]H)	F(B[6]N[5,6]O[6]F)	B[6](N[5,6]C[5,6]C[5])(O[6]C[6])(F)2{1|H<1>,1|N<2>,1|S<2>,2|C<3>}	N[5,6](C[5,6]N[6]S[5])(B[6]O[6]FF)(C[5]C[5]H){1|C<3>,1|H<1>}	F(B[6]N[5,6]O[6]F)	110.2950	1.305	2	109.8903	0.491	8	110.0554	0.568	14	110.0554	0.568	14	109.8915	1.974	209	109.8915	1.974	209
874	542	830	0:SP3_SP-NON_SP2	B[6]	N[5,6]	F	3:2:1:1:	3:4:3:	4:	N[5,6]-3:O[6]-2:F-1:F-1:	C[5,6]-3:B[6]-4:C[5]-3:	B[6]-4:	B[6](N[5,6]C[5,6]C[5])(O[6]C[6])(F)2	N[5,6](C[5,6]N[6]S[5])(B[6]O[6]FF)(C[5]C[5]H)	F(B[6]N[5,6]O[6]F)	B[6](N[5,6]C[5,6]C[5])(O[6]C[6])(F)2{1|H<1>,1|N<2>,1|S<2>,2|C<3>}	N[5,6](C[5,6]N[6]S[5])(B[6]O[6]FF)(C[5]C[5]H){1|C<3>,1|I<1>}	F(B[6]N[5,6]O[6]F)	109.9590	0.686	2	109.8903	0.491	8	110.0554	0.568	14	110.0554	0.568	14	109.8915	1.974	209	109.8915	1.974	209
874	542	830	0:SP3_SP-NON_SP2	B[6]	N[5,6]	F	3:2:1:1:	3:4:3:	4:	N[5,6]-3:O[6]-2:F-1:F-1:	C[5,6]-3:B[6]-4:C[5]-3:	B[6]-4:	B[6](N[5,6]C[5,6]C[5])(O[6]C[6])(F)2	N[5,6](C[5,6]N[6]S[5])(B[6]O[6]FF)(C[5]C[5]H)	F(B[6]N[5,6]O[6]F)	B[6](N[5,6]C[5,6]C[5])(O[6]C[6])(F)2{1|H<1>,1|N<2>,1|S<2>,2|C<3>}	N[5,6](C[5,6]N[6]S[5])(B[6]O[6]FF)(C[5]C[5]H){1|C<3>,1|S<4>}	F(B[6]N[5,6]O[6]F)	109.4625	0.291	2	109.8903	0.491	8	110.0554	0.568	14	110.0554	0.568	14	109.8915	1.974	209	109.8915	1.974	209
874	542	830	0:SP3_SP-NON_SP2	B[6]	N[5,6]	F	3:3:1:1:	3:3:4:	4:	N[5,6]-3:N[5,6]-3:F-1:F-1:	C[5,6a]-3:C[5,6]-3:B[6]-4:	B[6]-4:	B[6](N[5,6]C[5,6a]C[5,6])(N[5,6]C[5,6]C[5])(F)2	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(B[6]N[5,6]FF)	F(B[6]N[5,6]2F)	B[6](N[5,6]C[5,6a]C[5,6])(N[5,6]C[5,6]C[5])(F)2{1|N<3>,1|O<1>,5|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(B[6]N[5,6]FF){1|C<2>,2|H<1>,4|C<3>}	F(B[6]N[5,6]2F)	109.3625	0.555	2	109.3625	0.308	2	109.1865	0.270	8	109.2033	1.417	54	109.8915	1.974	209	109.8915	1.974	209
874	542	830	0:SP3_SP-NON_SP2	B[6]	N[5,6]	F	3:3:1:1:	3:3:4:	4:	N[5,6]-3:N[5,6]-3:F-1:F-1:	C[5,6a]-3:C[5,6]-3:B[6]-4:	B[6]-4:	B[6](N[5,6]C[5,6a]C[5,6])(N[5,6]C[5,6]C[5])(F)2	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]N[5,6]FF)	F(B[6]N[5,6]2F)	B[6](N[5,6]C[5,6a]C[5,6])(N[5,6]C[5,6]C[5])(F)2{1|O<1>,1|S<2>,5|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]N[5,6]FF){1|C<2>,1|H<1>,4|C<3>}	F(B[6]N[5,6]2F)	109.1000	0.296	2	108.8603	0.212	4	109.1865	0.270	8	109.2033	1.417	54	109.8915	1.974	209	109.8915	1.974	209
874	542	830	0:SP3_SP-NON_SP2	B[6]	N[5,6]	F	3:3:1:1:	3:3:4:	4:	N[5,6]-3:N[5,6]-3:F-1:F-1:	C[5,6a]-3:C[5,6]-3:B[6]-4:	B[6]-4:	B[6](N[5,6]C[5,6a]C[5,6])(N[5,6]C[5,6]C[5])(F)2	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]N[5,6]FF)	F(B[6]N[5,6]2F)	B[6](N[5,6]C[5,6a]C[5,6])(N[5,6]C[5,6]C[5])(F)2{1|O<1>,1|S<2>,5|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]N[5,6]FF){2|H<1>,4|C<3>}	F(B[6]N[5,6]2F)	108.6205	0.565	2	108.8603	0.212	4	109.1865	0.270	8	109.2033	1.417	54	109.8915	1.974	209	109.8915	1.974	209
874	542	830	0:SP3_SP-NON_SP2	B[6]	N[5,6]	F	3:3:1:1:	3:3:4:	4:	N[5,6]-3:N[5,6]-3:F-1:F-1:	C[5,6a]-3:C[5,6]-3:B[6]-4:	B[6]-4:	B[6](N[5,6]C[5,6a]C[5,6])(N[5,6]C[5,6]C[5])(F)2	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6])(B[6]N[5,6]FF)	F(B[6]N[5,6]2F)	B[6](N[5,6]C[5,6a]C[5,6])(N[5,6]C[5,6]C[5])(F)2{1|N<2>,1|N<3>,1|O<1>,4|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6])(B[6]N[5,6]FF){2|H<1>,4|C<3>}	F(B[6]N[5,6]2F)	109.6630	0.010	2	109.6630	0.000	2	109.1865	0.270	8	109.2033	1.417	54	109.8915	1.974	209	109.8915	1.974	209
874	542	830	0:SP3_SP-NON_SP2	B[6]	N[5,6]	F	3:3:1:1:	3:3:4:	4:	N[5,6]-3:N[6,6]-3:F-1:F-1:	C[5,6a]-3:C[5,6]-3:B[6]-4:	B[6]-4:	B[6](N[5,6]C[5,6a]C[5,6])(N[6,6]C[6,6]C[6])(F)2	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]N[6,6]FF)	F(B[6]N[5,6]N[6,6]F)	B[6](N[5,6]C[5,6a]C[5,6])(N[6,6]C[6,6]C[6])(F)2{1|H<1>,1|N<2>,1|S<2>,4|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]N[6,6]FF){1|C<2>,1|H<1>,4|C<3>}	F(B[6]N[5,6]N[6,6]F)	110.8989	0.321	8	110.5366	1.260	12	110.5366	1.260	12	109.2033	1.417	54	109.8915	1.974	209	109.8915	1.974	209
874	542	830	0:SP3_SP-NON_SP2	B[6]	N[5,6]	F	3:3:1:1:	3:3:4:	4:	N[5,6]-3:N[6,6]-3:F-1:F-1:	C[5,6a]-3:C[5,6]-3:B[6]-4:	B[6]-4:	B[6](N[5,6]C[5,6a]C[5,6])(N[6,6]C[6,6]C[6])(F)2	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]N[6,6]FF)	F(B[6]N[5,6]N[6,6]F)	B[6](N[5,6]C[5,6a]C[5,6])(N[6,6]C[6,6]C[6])(F)2{1|N<2>,1|N<3>,1|S<2>,4|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]N[6,6]FF){1|C<2>,1|H<1>,4|C<3>}	F(B[6]N[5,6]N[6,6]F)	110.8240	2.251	2	110.5366	1.260	12	110.5366	1.260	12	109.2033	1.417	54	109.8915	1.974	209	109.8915	1.974	209
874	542	830	0:SP3_SP-NON_SP2	B[6]	N[5,6]	F	3:3:1:1:	3:3:4:	4:	N[5,6]-3:N[6,6]-3:F-1:F-1:	C[5,6a]-3:C[5,6]-3:B[6]-4:	B[6]-4:	B[6](N[5,6]C[5,6a]C[5,6])(N[6,6]C[6,6]C[6])(F)2	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]N[6,6]FF)	F(B[6]N[5,6]N[6,6]F)	B[6](N[5,6]C[5,6a]C[5,6])(N[6,6]C[6,6]C[6])(F)2{1|N<2>,1|O<2>,1|S<2>,4|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]N[6,6]FF){1|C<2>,1|H<1>,4|C<3>}	F(B[6]N[5,6]N[6,6]F)	108.8000	0.909	2	110.5366	1.260	12	110.5366	1.260	12	109.2033	1.417	54	109.8915	1.974	209	109.8915	1.974	209
874	542	830	0:SP3_SP-NON_SP2	B[6]	N[5,6]	F	3:3:1:1:	3:3:4:	4:	N[5,6]-3:N[6]-3:F-1:F-1:	C[5,6a]-3:C[5,6]-3:B[6]-4:	B[6]-4:	B[6](N[5,6]C[5,6a]C[5,6])(N[6]C[6,6a]C[6a])(F)2	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5])(B[6]N[6]FF)	F(B[6]N[5,6]N[6]F)	B[6](N[5,6]C[5,6a]C[5,6])(N[6]C[6,6a]C[6a])(F)2{1|O<2>,6|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5])(B[6]N[6]FF){1|H<1>,5|C<3>}	F(B[6]N[5,6]N[6]F)	108.0691	0.731	10	108.0691	0.535	10	108.6761	0.716	28	109.2033	1.417	54	109.8915	1.974	209	109.8915	1.974	209
874	542	830	0:SP3_SP-NON_SP2	B[6]	N[5,6]	F	3:3:1:1:	3:3:4:	4:	N[5,6]-3:N[6]-3:F-1:F-1:	C[5,6a]-3:C[5,6]-3:B[6]-4:	B[6]-4:	B[6](N[5,6]C[5,6a]C[5,6])(N[6]C[6a]C[6])(F)2	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]N[6]FF)	F(B[6]N[5,6]N[6]F)	B[6](N[5,6]C[5,6a]C[5,6])(N[6]C[6a]C[6])(F)2{1|S<2>,6|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]N[6]FF){1|H<1>,5|C<3>}	F(B[6]N[5,6]N[6]F)	108.9947	0.543	4	108.9567	0.526	16	108.6761	0.716	28	109.2033	1.417	54	109.8915	1.974	209	109.8915	1.974	209
874	542	830	0:SP3_SP-NON_SP2	B[6]	N[5,6]	F	3:3:1:1:	3:3:4:	4:	N[5,6]-3:N[6]-3:F-1:F-1:	C[5,6a]-3:C[5,6]-3:B[6]-4:	B[6]-4:	B[6](N[5,6]C[5,6a]C[5,6])(N[6]C[6a]C[6])(F)2	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]N[6]FF)	F(B[6]N[5,6]N[6]F)	B[6](N[5,6]C[5,6a]C[5,6])(N[6]C[6a]C[6])(F)2{1|S<2>,6|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]N[6]FF){2|H<1>,4|C<3>}	F(B[6]N[5,6]N[6]F)	108.9440	0.798	12	108.9567	0.526	16	108.6761	0.716	28	109.2033	1.417	54	109.8915	1.974	209	109.8915	1.974	209
874	542	830	0:SP3_SP-NON_SP2	B[6]	N[5,6]	F	3:3:1:1:	3:3:4:	4:	N[5,6]-3:N[6]-3:F-1:F-1:	C[5,6a]-3:C[5,6]-3:B[6]-4:	B[6]-4:	B[6](N[5,6]C[5,6a]C[5,6])(N[6]C[6a]N[6])(F)2	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]N[6]FF)	F(B[6]N[5,6]N[6]F)	B[6](N[5,6]C[5,6a]C[5,6])(N[6]C[6a]N[6])(F)2{1|S<2>,5|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]N[6]FF){1|C<2>,1|H<1>,1|N<2>,3|C<3>}	F(B[6]N[5,6]N[6]F)	109.4670	0.651	2	109.4670	0.423	2	108.6761	0.716	28	109.2033	1.417	54	109.8915	1.974	209	109.8915	1.974	209
874	542	830	0:SP3_SP-NON_SP2	B[6]	N[5,6]	F	3:3:1:1:	3:3:4:	4:	N[5a,6]-3:N[5,6]-3:F-1:F-1:	C[5,6a]-3:C[5,6]-3:B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6,6a]C[5a,6a])(N[5,6]C[5,6a]C[5,6])(F)2	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5])(B[6]N[5a,6]FF)	F(B[6]N[5a,6]N[5,6]F)	B[6](N[5a,6]C[5a,6,6a]C[5a,6a])(N[5,6]C[5,6a]C[5,6])(F)2{1|O<2>,6|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5])(B[6]N[5a,6]FF){1|H<1>,5|C<3>}	F(B[6]N[5a,6]N[5,6]F)	108.1670	1.287	2	108.1670	1.656	2	109.0190	2.138	6	109.2033	1.417	54	109.8915	1.974	209	109.8915	1.974	209
874	542	830	0:SP3_SP-NON_SP2	B[6]	N[5,6]	F	3:3:1:1:	3:3:4:	4:	N[5a,6]-3:N[5,6]-3:F-1:F-1:	C[5,6a]-3:C[5,6]-3:B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[5,6]C[5,6a]C[5,6])(F)2	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]N[5a,6]FF)	F(B[6]N[5a,6]N[5,6]F)	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[5,6]C[5,6a]C[5,6])(F)2{1|S<2>,6|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]N[5a,6]FF){1|C<2>,1|H<1>,4|C<3>}	F(B[6]N[5a,6]N[5,6]F)	108.7505	0.651	2	108.7505	0.424	2	109.0190	2.138	6	109.2033	1.417	54	109.8915	1.974	209	109.8915	1.974	209
874	542	830	0:SP3_SP-NON_SP2	B[6]	N[5,6]	F	3:3:1:1:	3:3:4:	4:	N[5a,6]-3:N[5,6]-3:F-1:F-1:	C[5,6a]-3:C[5,6]-3:B[6]-4:	B[6]-4:	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[5,6]C[5,6a]C[5,6])(F)2	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(B[6]N[5a,6]FF)	F(B[6]N[5a,6]N[5,6]F)	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[5,6]C[5,6a]C[5,6])(F)2{1|N<2>,1|S<2>,5|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(B[6]N[5a,6]FF){1|H<1>,4|C<3>}	F(B[6]N[5a,6]N[5,6]F)	110.1395	2.122	2	110.1395	4.503	2	109.0190	2.138	6	109.2033	1.417	54	109.8915	1.974	209	109.8915	1.974	209
874	542	830	0:SP3_SP-NON_SP2	B[6]	N[5,6]	F	3:3:1:1:	3:4:2:	4:	N[5,6]-3:N[5,6]-3:F-1:F-1:	N[5,6]-3:B[6]-4:C[5]-2:	B[6]-4:	B[6](N[5,6]N[5,6]C[5])2(F)2	N[5,6](N[5,6]B[6]C[5])(B[6]N[5,6]FF)(C[5]C[5])	F(B[6]N[5,6]2F)	B[6](N[5,6]N[5,6]C[5])2(F)2{1|B<4>,1|C<2>,1|H<1>,3|C<3>}	N[5,6](N[5,6]B[6]C[5])(B[6]N[5,6]FF)(C[5]C[5]){1|C<3>,1|H<1>,1|I<1>,1|N<3>,2|F<1>}	F(B[6]N[5,6]2F)	109.6335	0.093	2	109.6335	0.009	2	109.6335	0.009	2	109.6335	0.009	2	109.8915	1.974	209	109.8915	1.974	209
874	542	830	0:SP3_SP-NON_SP2	B[6]	N[5,6]	F	3:3:1:1:	3:4:3:	4:	N[5,6]-3:N[5,6]-3:F-1:F-1:	C[5,6]-3:B[6]-4:C[5]-3:	B[6]-4:	B[6](N[5,6]C[5,6a]C[5,6])(N[5,6]C[5,6]C[5])(F)2	N[5,6](C[5,6]C[5,6a]C[6])(B[6]N[5,6]FF)(C[5]C[5,6a]O)	F(B[6]N[5,6]2F)	B[6](N[5,6]C[5,6a]C[5,6])(N[5,6]C[5,6]C[5])(F)2{1|N<3>,1|O<1>,5|C<3>}	N[5,6](C[5,6]C[5,6a]C[6])(B[6]N[5,6]FF)(C[5]C[5,6a]O){1|C<2>,4|C<3>}	F(B[6]N[5,6]2F)	111.1125	0.170	2	111.4866	0.316	5	111.6120	0.317	7	110.8665	2.290	65	109.8915	1.974	209	109.8915	1.974	209
874	542	830	0:SP3_SP-NON_SP2	B[6]	N[5,6]	F	3:3:1:1:	3:4:3:	4:	N[5,6]-3:N[5,6]-3:F-1:F-1:	C[5,6]-3:B[6]-4:C[5]-3:	B[6]-4:	B[6](N[5,6]C[5,6a]C[5,6])(N[5,6]C[5,6]C[5])(F)2	N[5,6](C[5,6]C[5,6a]C[6])(B[6]N[5,6]FF)(C[5]C[5,6a]O)	F(B[6]N[5,6]2F)	B[6](N[5,6]C[5,6a]C[5,6])(N[5,6]C[5,6]C[5])(F)2{1|O<1>,1|S<2>,5|C<3>}	N[5,6](C[5,6]C[5,6a]C[6])(B[6]N[5,6]FF)(C[5]C[5,6a]O){1|C<2>,4|C<3>}	F(B[6]N[5,6]2F)	111.7110	0.874	2	111.4866	0.316	5	111.6120	0.317	7	110.8665	2.290	65	109.8915	1.974	209	109.8915	1.974	209
874	542	830	0:SP3_SP-NON_SP2	B[6]	N[5,6]	F	3:3:1:1:	3:4:3:	4:	N[5,6]-3:N[5,6]-3:F-1:F-1:	C[5,6]-3:B[6]-4:C[5]-3:	B[6]-4:	B[6](N[5,6]C[5,6a]C[5,6])(N[5,6]C[5,6]C[5])(F)2	N[5,6](C[5,6]C[5,6a]C[6])(B[6]N[5,6]FF)(C[5]C[5,6a]O)	F(B[6]N[5,6]2F)	B[6](N[5,6]C[5,6a]C[5,6])(N[5,6]C[5,6]C[5])(F)2{1|O<1>,1|S<2>,5|C<3>}	N[5,6](C[5,6]C[5,6a]C[6])(B[6]N[5,6]FF)(C[5]C[5,6a]O){1|H<1>,4|C<3>}	F(B[6]N[5,6]2F)	111.7860	0.000	1	111.4866	0.316	5	111.6120	0.317	7	110.8665	2.290	65	109.8915	1.974	209	109.8915	1.974	209
874	542	830	0:SP3_SP-NON_SP2	B[6]	N[5,6]	F	3:3:1:1:	3:4:3:	4:	N[5,6]-3:N[5,6]-3:F-1:F-1:	C[5,6]-3:B[6]-4:C[5]-3:	B[6]-4:	B[6](N[5,6]C[5,6a]C[5,6])(N[5,6]C[5,6]C[5])(F)2	N[5,6](C[5,6]C[5,6a]N[6])(B[6]N[5,6]FF)(C[5]C[5,6a]O)	F(B[6]N[5,6]2F)	B[6](N[5,6]C[5,6a]C[5,6])(N[5,6]C[5,6]C[5])(F)2{1|N<2>,1|N<3>,1|O<1>,4|C<3>}	N[5,6](C[5,6]C[5,6a]N[6])(B[6]N[5,6]FF)(C[5]C[5,6a]O){4|C<3>}	F(B[6]N[5,6]2F)	111.9255	0.602	2	111.9255	0.362	2	111.6120	0.317	7	110.8665	2.290	65	109.8915	1.974	209	109.8915	1.974	209
874	542	830	0:SP3_SP-NON_SP2	B[6]	N[5,6]	F	3:3:1:1:	3:4:3:	4:	N[5,6]-3:N[5,6]-3:F-1:F-1:	N[5,6]-3:B[6]-4:C[5]-3:	B[6]-4:	B[6](N[5,6]N[5,6]C[5])2(F)2	N[5,6](N[5,6]B[6]C[5])(B[6]N[5,6]FF)(C[5]C[5]H)	F(B[6]N[5,6]2F)	B[6](N[5,6]N[5,6]C[5])2(F)2{1|B<4>,1|C<2>,1|H<1>,3|C<3>}	N[5,6](N[5,6]B[6]C[5])(B[6]N[5,6]FF)(C[5]C[5]H){1|C<2>,1|I<1>,1|N<3>,2|F<1>}	F(B[6]N[5,6]2F)	110.3050	0.187	2	109.8538	0.131	6	109.8538	0.131	6	110.8665	2.290	65	109.8915	1.974	209	109.8915	1.974	209
874	542	830	0:SP3_SP-NON_SP2	B[6]	N[5,6]	F	3:3:1:1:	3:4:3:	4:	N[5,6]-3:N[5,6]-3:F-1:F-1:	N[5,6]-3:B[6]-4:C[5]-3:	B[6]-4:	B[6](N[5,6]N[5,6]C[5])2(F)2	N[5,6](N[5,6]B[6]C[5])(B[6]N[5,6]FF)(C[5]C[5]H)	F(B[6]N[5,6]2F)	B[6](N[5,6]N[5,6]C[5])2(F)2{1|B<4>,2|H<1>,4|C<3>}	N[5,6](N[5,6]B[6]C[5])(B[6]N[5,6]FF)(C[5]C[5]H){1|C<2>,1|C<3>,1|H<1>,1|N<3>,2|F<1>}	F(B[6]N[5,6]2F)	109.6283	0.059	4	109.8538	0.131	6	109.8538	0.131	6	110.8665	2.290	65	109.8915	1.974	209	109.8915	1.974	209
874	542	830	0:SP3_SP-NON_SP2	B[6]	N[5,6]	F	3:3:1:1:	3:4:3:	4:	N[5,6]-3:N[6,6]-3:F-1:F-1:	C[5,6]-3:B[6]-4:C[5]-3:	B[6]-4:	B[6](N[5,6]C[5,6]C[5])(N[6,6]C[6,6]C[6])(F)2	N[5,6](C[5,6]C[5,6a]C[6])(B[6]N[6,6]FF)(C[5]C[5,6a]O)	F(B[6]N[5,6]N[6,6]F)	B[6](N[5,6]C[5,6]C[5])(N[6,6]C[6,6]C[6])(F)2{1|H<1>,1|O<1>,5|C<3>}	N[5,6](C[5,6]C[5,6a]C[6])(B[6]N[6,6]FF)(C[5]C[5,6a]O){1|C<2>,4|C<3>}	F(B[6]N[5,6]N[6,6]F)	111.8572	1.083	8	112.0552	1.086	12	112.1963	0.734	24	110.8665	2.290	65	109.8915	1.974	209	109.8915	1.974	209
874	542	830	0:SP3_SP-NON_SP2	B[6]	N[5,6]	F	3:3:1:1:	3:4:3:	4:	N[5,6]-3:N[6,6]-3:F-1:F-1:	C[5,6]-3:B[6]-4:C[5]-3:	B[6]-4:	B[6](N[5,6]C[5,6]C[5])(N[6,6]C[6,6]C[6])(F)2	N[5,6](C[5,6]C[5,6a]C[6])(B[6]N[6,6]FF)(C[5]C[5,6a]O)	F(B[6]N[5,6]N[6,6]F)	B[6](N[5,6]C[5,6]C[5])(N[6,6]C[6,6]C[6])(F)2{1|H<1>,1|O<1>,5|C<3>}	N[5,6](C[5,6]C[5,6a]C[6])(B[6]N[6,6]FF)(C[5]C[5,6a]O){1|H<1>,4|C<3>}	F(B[6]N[5,6]N[6,6]F)	112.4510	0.967	4	112.0552	1.086	12	112.1963	0.734	24	110.8665	2.290	65	109.8915	1.974	209	109.8915	1.974	209
874	542	830	0:SP3_SP-NON_SP2	B[6]	N[5,6]	F	3:3:1:1:	3:4:3:	4:	N[5,6]-3:N[6,6]-3:F-1:F-1:	C[5,6]-3:B[6]-4:C[5]-3:	B[6]-4:	B[6](N[5,6]C[5,6]C[5])(N[6,6]C[6,6]C[6])(F)2	N[5,6](C[5,6]C[5,6a]N[6])(B[6]N[6,6]FF)(C[5]C[5,6a]O)	F(B[6]N[5,6]N[6,6]F)	B[6](N[5,6]C[5,6]C[5])(N[6,6]C[6,6]C[6])(F)2{1|H<1>,1|N<2>,1|O<1>,4|C<3>}	N[5,6](C[5,6]C[5,6a]N[6])(B[6]N[6,6]FF)(C[5]C[5,6a]O){4|C<3>}	F(B[6]N[5,6]N[6,6]F)	112.2930	0.675	10	112.2930	0.455	10	112.1963	0.734	24	110.8665	2.290	65	109.8915	1.974	209	109.8915	1.974	209
874	542	830	0:SP3_SP-NON_SP2	B[6]	N[5,6]	F	3:3:1:1:	3:4:3:	4:	N[5,6]-3:N[6,6]-3:F-1:F-1:	C[5,6]-3:B[6]-4:C[5]-3:	B[6]-4:	B[6](N[5,6]C[5,6]C[5])(N[6,6]C[6,6]C[6])(F)2	N[5,6](C[5,6]C[5]C[6])(B[6]N[6,6]FF)(C[5]C[5]O)	F(B[6]N[5,6]N[6,6]F)	B[6](N[5,6]C[5,6]C[5])(N[6,6]C[6,6]C[6])(F)2{1|H<1>,1|O<1>,5|C<3>}	N[5,6](C[5,6]C[5]C[6])(B[6]N[6,6]FF)(C[5]C[5]O){1|H<1>,4|C<3>}	F(B[6]N[5,6]N[6,6]F)	112.5595	0.489	2	112.5595	0.239	2	112.1963	0.734	24	110.8665	2.290	65	109.8915	1.974	209	109.8915	1.974	209
874	542	830	0:SP3_SP-NON_SP2	B[6]	N[5,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5,6]-3:F-1:F-1:	C[5,6]-3:B[6]-4:C[5]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(F)2	N[5,6](C[5,6]C[5]C[6])(B[6]N[5a,6]FF)(C[5]C[5]C)	F(B[6]N[5a,6]N[5,6]F)	B[6](N[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(F)2{1|C<2>,2|C<4>,4|C<3>}	N[5,6](C[5,6]C[5]C[6])(B[6]N[5a,6]FF)(C[5]C[5]C){1|C<4>,3|C<3>}	F(B[6]N[5a,6]N[5,6]F)	110.5010	0.669	4	109.9357	1.128	6	109.9552	0.799	12	110.8665	2.290	65	109.8915	1.974	209	109.8915	1.974	209
874	542	830	0:SP3_SP-NON_SP2	B[6]	N[5,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5,6]-3:F-1:F-1:	C[5,6]-3:B[6]-4:C[5]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(F)2	N[5,6](C[5,6]C[5]C[6])(B[6]N[5a,6]FF)(C[5]C[5]C)	F(B[6]N[5a,6]N[5,6]F)	B[6](N[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(F)2{1|H<1>,3|C<3>,3|C<4>}	N[5,6](C[5,6]C[5]C[6])(B[6]N[5a,6]FF)(C[5]C[5]C){2|C<3>,2|C<4>,3|H<1>}	F(B[6]N[5a,6]N[5,6]F)	108.8050	0.682	2	109.9357	1.128	6	109.9552	0.799	12	110.8665	2.290	65	109.8915	1.974	209	109.8915	1.974	209
874	542	830	0:SP3_SP-NON_SP2	B[6]	N[5,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5,6]-3:F-1:F-1:	C[5,6]-3:B[6]-4:C[5]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(F)2	N[5,6](C[5,6]C[5]C[6])(B[6]N[5a,6]FF)(C[5]C[5]O)	F(B[6]N[5a,6]N[5,6]F)	B[6](N[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(F)2{1|N<4>,1|O<1>,5|C<3>}	N[5,6](C[5,6]C[5]C[6])(B[6]N[5a,6]FF)(C[5]C[5]O){2|H<1>,3|C<3>}	F(B[6]N[5a,6]N[5,6]F)	110.2430	0.296	2	110.2430	0.087	2	109.9552	0.799	12	110.8665	2.290	65	109.8915	1.974	209	109.8915	1.974	209
874	542	830	0:SP3_SP-NON_SP2	B[6]	N[5,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5,6]-3:F-1:F-1:	C[5,6]-3:B[6]-4:C[5]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[5,6]C[5,6]C[5])(F)2	N[5,6](C[5,6]N[6]S[5])(B[6]N[5a,6]FF)(C[5]C[5]C)	F(B[6]N[5a,6]N[5,6]F)	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[5,6]C[5,6]C[5])(F)2{1|C<4>,1|N<2>,1|S<2>,4|C<3>}	N[5,6](C[5,6]N[6]S[5])(B[6]N[5a,6]FF)(C[5]C[5]C){1|H<1>,2|C<3>}	F(B[6]N[5a,6]N[5,6]F)	109.8407	0.973	4	109.8407	0.947	4	109.9552	0.799	12	110.8665	2.290	65	109.8915	1.974	209	109.8915	1.974	209
874	542	830	0:SP3_SP-NON_SP2	B[6]	N[5,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5,6]-3:F-1:F-1:	N[5,6]-3:B[6]-4:C[5]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])(N[5,6]N[5,6]C[5])(F)2	N[5,6](N[5,6]B[5]C[6])(B[6]N[5a,6]FF)(C[5]C[5a]O[5])	F(B[6]N[5a,6]N[5,6]F)	B[6](N[5a,6]C[5a,6]C[5a])(N[5,6]N[5,6]C[5])(F)2{1|B<4>,1|C<4>,1|O<2>,4|C<3>}	N[5,6](N[5,6]B[5]C[6])(B[6]N[5a,6]FF)(C[5]C[5a]O[5]){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	F(B[6]N[5a,6]N[5,6]F)	108.2840	0.405	4	108.2247	0.107	6	108.2775	0.104	8	110.8665	2.290	65	109.8915	1.974	209	109.8915	1.974	209
874	542	830	0:SP3_SP-NON_SP2	B[6]	N[5,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5,6]-3:F-1:F-1:	N[5,6]-3:B[6]-4:C[5]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])(N[5,6]N[5,6]C[5])(F)2	N[5,6](N[5,6]B[5]C[6])(B[6]N[5a,6]FF)(C[5]C[5a]O[5])	F(B[6]N[5a,6]N[5,6]F)	B[6](N[5a,6]C[5a,6]C[5a])(N[5,6]N[5,6]C[5])(F)2{1|B<4>,1|C<4>,1|O<2>,4|C<3>}	N[5,6](N[5,6]B[5]C[6])(B[6]N[5a,6]FF)(C[5]C[5a]O[5]){1|H<1>,1|O<2>,2|F<1>,3|C<3>}	F(B[6]N[5a,6]N[5,6]F)	108.1060	0.047	2	108.2247	0.107	6	108.2775	0.104	8	110.8665	2.290	65	109.8915	1.974	209	109.8915	1.974	209
874	542	830	0:SP3_SP-NON_SP2	B[6]	N[5,6]	F	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:N[5,6]-3:F-1:F-1:	N[5,6]-3:B[6]-4:C[5]-3:	B[6]-4:	B[6](N[5a,6]C[5a,6]C[5a])(N[5,6]N[5,6]C[5])(F)2	N[5,6](N[5,6]B[5]C[6])(B[6]N[5a,6]FF)(C[5]O[5]C)	F(B[6]N[5a,6]N[5,6]F)	B[6](N[5a,6]C[5a,6]C[5a])(N[5,6]N[5,6]C[5])(F)2{1|B<4>,1|O<2>,2|C<4>,3|C<3>}	N[5,6](N[5,6]B[5]C[6])(B[6]N[5a,6]FF)(C[5]O[5]C){1|H<1>,2|C<3>,2|F<1>}	F(B[6]N[5a,6]N[5,6]F)	108.4360	0.356	2	108.4360	0.127	2	108.2775	0.104	8	110.8665	2.290	65	109.8915	1.974	209	109.8915	1.974	209
874	542	830	0:SP3_SP-NON_SP2	B[6]	N[5,6]	F	3:3:1:1:	3:4:3:	4:	N[6,6]-3:N[5,6]-3:F-1:F-1:	C[5,6]-3:B[6]-4:C[5]-3:	B[6]-4:	B[6](N[6,6]C[6,6a]C[6,6])(N[5,6]C[5,6]C[5])(F)2	N[5,6](C[5,6]C[5,6a]C[6])(B[6]N[6,6]FF)(C[5]C[5,6a]O)	F(B[6]N[5,6]N[6,6]F)	B[6](N[6,6]C[6,6a]C[6,6])(N[5,6]C[5,6]C[5])(F)2{1|O<1>,6|C<3>}	N[5,6](C[5,6]C[5,6a]C[6])(B[6]N[6,6]FF)(C[5]C[5,6a]O){1|H<1>,4|C<3>}	F(B[6]N[5,6]N[6,6]F)	110.8385	0.162	2	110.8385	0.026	2	110.9405	0.215	8	110.8665	2.290	65	109.8915	1.974	209	109.8915	1.974	209
874	542	830	0:SP3_SP-NON_SP2	B[6]	N[5,6]	F	3:3:1:1:	3:4:3:	4:	N[6,6]-3:N[5,6]-3:F-1:F-1:	C[5,6]-3:B[6]-4:C[5]-3:	B[6]-4:	B[6](N[6,6]C[6,6a]C[6,6])(N[5,6]C[5,6]C[5])(F)2	N[5,6](C[5,6]C[5,6a]N[6])(B[6]N[6,6]FF)(C[5]C[5,6a]O)	F(B[6]N[5,6]N[6,6]F)	B[6](N[6,6]C[6,6a]C[6,6])(N[5,6]C[5,6]C[5])(F)2{1|N<2>,1|O<1>,5|C<3>}	N[5,6](C[5,6]C[5,6a]N[6])(B[6]N[6,6]FF)(C[5]C[5,6a]O){4|C<3>}	F(B[6]N[5,6]N[6,6]F)	110.9745	0.539	6	110.9745	0.291	6	110.9405	0.215	8	110.8665	2.290	65	109.8915	1.974	209	109.8915	1.974	209
874	542	830	0:SP3_SP-NON_SP2	B[6]	N[5,6]	F	3:3:1:1:	3:4:4:	4:	N[5,6]-3:N[6]-3:F-1:F-1:	C[5,6]-3:B[6]-4:C[5]-4:	B[6]-4:	B[6](N[5,6]C[5,6]C[5])(N[6]C[6,6a]C[6a])(F)2	N[5,6](C[5,6]C[6,6a]O[5])(B[6]N[6]FF)(C[5]C[5]CC)	F(B[6]N[5,6]N[6]F)	B[6](N[5,6]C[5,6]C[5])(N[6]C[6,6a]C[6a])(F)2{1|O<2>,3|C<4>,4|C<3>}	N[5,6](C[5,6]C[6,6a]O[5])(B[6]N[6]FF)(C[5]C[5]CC){2|H<1>,3|C<3>}	F(B[6]N[5,6]N[6]F)	108.4862	0.890	4	108.4862	0.792	4	108.4862	0.792	4	108.4862	0.792	4	109.8915	1.974	209	109.8915	1.974	209
874	542	856	6:SP3_SP2_SP2	B[6]	N[5,6]	N[6,6]	3:3:1:1:	3:3:4:	4:3:3:	N[5,6]-3:N[6,6]-3:F-1:F-1:	C[5,6a]-3:C[5,6]-3:B[6]-4:	B[6]-4:C[6,6]-3:C[6]-3:	B[6](N[5,6]C[5,6a]C[5,6])(N[6,6]C[6,6]C[6])(F)2	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]N[6,6]FF)	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]N[6]H)	B[6](N[5,6]C[5,6a]C[5,6])(N[6,6]C[6,6]C[6])(F)2{1|H<1>,1|N<2>,1|S<2>,4|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]N[6,6]FF){1|C<2>,1|H<1>,4|C<3>}	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]N[6]H){1|C<2>,1|H<1>,3|C<3>}	107.9623	0.278	4	107.9623	0.077	4	107.4212	0.859	6	107.4212	0.859	6	106.4693	2.494	23	106.3841	4.201	44
874	542	856	6:SP3_SP2_SP2	B[6]	N[5,6]	N[6,6]	3:3:1:1:	3:3:4:	4:3:3:	N[5,6]-3:N[6,6]-3:F-1:F-1:	C[5,6a]-3:C[5,6]-3:B[6]-4:	B[6]-4:C[6,6]-3:C[6]-3:	B[6](N[5,6]C[5,6a]C[5,6])(N[6,6]C[6,6]C[6])(F)2	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]N[6,6]FF)	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]N[6]N)	B[6](N[5,6]C[5,6a]C[5,6])(N[6,6]C[6,6]C[6])(F)2{1|N<2>,1|N<3>,1|S<2>,4|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]N[6,6]FF){1|C<2>,1|H<1>,4|C<3>}	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]N[6]N){1|C<2>,1|H<1>,3|C<3>}	105.8150	0.000	1	105.8150	0.000	1	107.4212	0.859	6	107.4212	0.859	6	106.4693	2.494	23	106.3841	4.201	44
874	542	856	6:SP3_SP2_SP2	B[6]	N[5,6]	N[6,6]	3:3:1:1:	3:3:4:	4:3:3:	N[5,6]-3:N[6,6]-3:F-1:F-1:	C[5,6a]-3:C[5,6]-3:B[6]-4:	B[6]-4:C[6,6]-3:C[6]-3:	B[6](N[5,6]C[5,6a]C[5,6])(N[6,6]C[6,6]C[6])(F)2	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]N[6,6]FF)	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]N[6]O)	B[6](N[5,6]C[5,6a]C[5,6])(N[6,6]C[6,6]C[6])(F)2{1|N<2>,1|O<2>,1|S<2>,4|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]N[6,6]FF){1|C<2>,1|H<1>,4|C<3>}	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]N[6]O){1|C<2>,1|H<1>,3|C<3>}	106.8630	0.000	1	106.8630	0.000	1	107.4212	0.859	6	107.4212	0.859	6	106.4693	2.494	23	106.3841	4.201	44
874	542	856	6:SP3_SP2_SP2	B[6]	N[5,6]	N[6,6]	3:3:1:1:	3:4:3:	3:3:4:	N[6,6]-3:N[5,6]-3:F-1:F-1:	C[5,6]-3:B[6]-4:C[5]-3:	C[6,6a]-3:C[6,6]-3:B[6]-4:	B[6](N[6,6]C[6,6a]C[6,6])(N[5,6]C[5,6]C[5])(F)2	N[5,6](C[5,6]C[5,6a]N[6])(B[6]N[6,6]FF)(C[5]C[5,6a]O)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6])(B[6]N[5,6]FF)	B[6](N[6,6]C[6,6a]C[6,6])(N[5,6]C[5,6]C[5])(F)2{1|N<2>,1|O<1>,5|C<3>}	N[5,6](C[5,6]C[5,6a]N[6])(B[6]N[6,6]FF)(C[5]C[5,6a]O){4|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6])(B[6]N[5,6]FF){2|H<1>,5|C<3>}	106.1263	0.364	3	106.1263	0.132	3	106.1263	0.132	3	106.1263	0.132	3	106.4693	2.494	23	106.3841	4.201	44
874	542	856	6:SP3_SP2_SP2	B[6]	N[5,6]	N[6,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5,6]-3:N[6,6]-3:F-1:F-1:	C[5,6]-3:B[6]-4:C[5]-3:	C[6,6]-3:B[6]-4:C[6]-3:	B[6](N[5,6]C[5,6]C[5])(N[6,6]C[6,6]C[6])(F)2	N[5,6](C[5,6]C[5,6a]N[6])(B[6]N[6,6]FF)(C[5]C[5,6a]O)	N[6,6](C[6,6]C[6]N[6])(B[6]N[5,6]FF)(C[6]C[6]H)	B[6](N[5,6]C[5,6]C[5])(N[6,6]C[6,6]C[6])(F)2{1|H<1>,1|N<2>,1|O<1>,4|C<3>}	N[5,6](C[5,6]C[5,6a]N[6])(B[6]N[6,6]FF)(C[5]C[5,6a]O){4|C<3>}	N[6,6](C[6,6]C[6]N[6])(B[6]N[5,6]FF)(C[6]C[6]H){2|H<1>,3|C<3>}	104.8012	0.339	5	104.8012	0.115	5	104.8012	0.115	5	105.4648	2.734	6	106.4693	2.494	23	106.3841	4.201	44
874	542	856	6:SP3_SP2_SP2	B[6]	N[5,6]	N[6,6]	3:3:1:1:	3:4:3:	3:4:3:	N[6,6]-3:N[5,6]-3:F-1:F-1:	C[5,6]-3:B[6]-4:C[5]-3:	C[6,6a]-3:B[6]-4:C[6,6]-3:	B[6](N[6,6]C[6,6a]C[6,6])(N[5,6]C[5,6]C[5])(F)2	N[5,6](C[5,6]C[5,6a]C[6])(B[6]N[6,6]FF)(C[5]C[5,6a]O)	N[6,6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF)(C[6,6]C[6]2)	B[6](N[6,6]C[6,6a]C[6,6])(N[5,6]C[5,6]C[5])(F)2{1|O<1>,6|C<3>}	N[5,6](C[5,6]C[5,6a]C[6])(B[6]N[6,6]FF)(C[5]C[5,6a]O){1|H<1>,4|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF)(C[6,6]C[6]2){3|H<1>,5|C<3>}	108.7830	0.000	1	108.7830	0.000	1	108.7830	0.000	1	105.4648	2.734	6	106.4693	2.494	23	106.3841	4.201	44
874	542	856	6:SP3_SP2_SP2	B[6]	N[5,6]	N[6,6]	3:3:1:1:	3:4:3:	4:3:3:	N[5,6]-3:N[6,6]-3:F-1:F-1:	C[5,6]-3:B[6]-4:C[5]-3:	B[6]-4:C[6,6]-3:C[6]-3:	B[6](N[5,6]C[5,6]C[5])(N[6,6]C[6,6]C[6])(F)2	N[5,6](C[5,6]C[5,6a]C[6])(B[6]N[6,6]FF)(C[5]C[5,6a]O)	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]C[6]H)	B[6](N[5,6]C[5,6]C[5])(N[6,6]C[6,6]C[6])(F)2{1|H<1>,1|O<1>,5|C<3>}	N[5,6](C[5,6]C[5,6a]C[6])(B[6]N[6,6]FF)(C[5]C[5,6a]O){1|C<2>,4|C<3>}	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]C[6]H){1|C<2>,2|H<1>,3|C<3>}	106.9845	0.863	4	107.2627	0.646	6	107.2547	0.539	7	107.2547	0.539	7	106.4693	2.494	23	106.3841	4.201	44
874	542	856	6:SP3_SP2_SP2	B[6]	N[5,6]	N[6,6]	3:3:1:1:	3:4:3:	4:3:3:	N[5,6]-3:N[6,6]-3:F-1:F-1:	C[5,6]-3:B[6]-4:C[5]-3:	B[6]-4:C[6,6]-3:C[6]-3:	B[6](N[5,6]C[5,6]C[5])(N[6,6]C[6,6]C[6])(F)2	N[5,6](C[5,6]C[5,6a]C[6])(B[6]N[6,6]FF)(C[5]C[5,6a]O)	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]C[6]H)	B[6](N[5,6]C[5,6]C[5])(N[6,6]C[6,6]C[6])(F)2{1|H<1>,1|O<1>,5|C<3>}	N[5,6](C[5,6]C[5,6a]C[6])(B[6]N[6,6]FF)(C[5]C[5,6a]O){1|H<1>,4|C<3>}	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]C[6]H){2|H<1>,4|C<3>}	107.6340	0.000	1	107.2627	0.646	6	107.2547	0.539	7	107.2547	0.539	7	106.4693	2.494	23	106.3841	4.201	44
874	542	856	6:SP3_SP2_SP2	B[6]	N[5,6]	N[6,6]	3:3:1:1:	3:4:3:	4:3:3:	N[5,6]-3:N[6,6]-3:F-1:F-1:	C[5,6]-3:B[6]-4:C[5]-3:	B[6]-4:C[6,6]-3:C[6]-3:	B[6](N[5,6]C[5,6]C[5])(N[6,6]C[6,6]C[6])(F)2	N[5,6](C[5,6]C[5,6a]C[6])(B[6]N[6,6]FF)(C[5]C[5,6a]O)	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]C[6]H)	B[6](N[5,6]C[5,6]C[5])(N[6,6]C[6,6]C[6])(F)2{1|H<1>,1|O<1>,5|C<3>}	N[5,6](C[5,6]C[5,6a]C[6])(B[6]N[6,6]FF)(C[5]C[5,6a]O){1|H<1>,4|C<3>}	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]C[6]H){3|C<3>,3|H<1>}	108.0040	0.000	1	107.2627	0.646	6	107.2547	0.539	7	107.2547	0.539	7	106.4693	2.494	23	106.3841	4.201	44
874	542	856	6:SP3_SP2_SP2	B[6]	N[5,6]	N[6,6]	3:3:1:1:	3:4:3:	4:3:3:	N[5,6]-3:N[6,6]-3:F-1:F-1:	C[5,6]-3:B[6]-4:C[5]-3:	B[6]-4:C[6,6]-3:C[6]-3:	B[6](N[5,6]C[5,6]C[5])(N[6,6]C[6,6]C[6])(F)2	N[5,6](C[5,6]C[5]C[6])(B[6]N[6,6]FF)(C[5]C[5]O)	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]C[6]H)	B[6](N[5,6]C[5,6]C[5])(N[6,6]C[6,6]C[6])(F)2{1|H<1>,1|O<1>,5|C<3>}	N[5,6](C[5,6]C[5]C[6])(B[6]N[6,6]FF)(C[5]C[5]O){1|H<1>,4|C<3>}	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]C[6]H){3|C<3>,3|H<1>}	107.2070	0.000	1	107.2070	0.000	1	107.2547	0.539	7	107.2547	0.539	7	106.4693	2.494	23	106.3841	4.201	44
874	542	856	6:SP3_SP2_SP2	B[6]	N[5,6]	N[6,6]	3:3:3:3:	3:4:3:	4:3:3:	N[5,6]-3:N[6,6]-3:C[6a]-3:C[6a]-3:	C[5,6]-3:B[6]-4:C[5]-3:	B[6]-4:C[6,6]-3:C[6]-3:	B[6](N[5,6]C[5,6]C[5])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)2	N[5,6](C[5,6]C[5,6a]N[6])(B[6]N[6,6]C[6a]2)(C[5]C[5,6a]O)	N[6,6](B[6]N[5,6]C[6a]2)(C[6,6]C[6]N[6])(C[6]C[6]H)	B[6](N[5,6]C[5,6]C[5])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)2{1|N<2>,1|O<1>,5|H<1>,8|C<3>}	N[5,6](C[5,6]C[5,6a]N[6])(B[6]N[6,6]C[6a]2)(C[5]C[5,6a]O){8|C<3>}	N[6,6](B[6]N[5,6]C[6a]2)(C[6,6]C[6]N[6])(C[6]C[6]H){2|H<1>,7|C<3>}	102.3170	0.000	1	102.3170	0.000	1	102.3170	0.000	1	102.3170	0.000	1	106.4693	2.494	23	106.3841	4.201	44
874	542	856	6:SP3_SP2_SP2	B[6]	N[5,6]	N[6]	3:3:1:1:	3:3:4:	3:4:2:	N[5,6]-3:N[6]-3:F-1:F-1:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[6a]-3:B[6]-4:N[6]-2:	B[6](N[5,6]C[5,6a]C[5,6])(N[6]C[6a]N[6])(F)2	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]N[6]FF)	N[6](C[6a]C[6a,6a]C[6a])(B[6]N[5,6]FF)(N[6]C[6])	B[6](N[5,6]C[5,6a]C[5,6])(N[6]C[6a]N[6])(F)2{1|S<2>,5|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]N[6]FF){1|C<2>,1|H<1>,1|N<2>,3|C<3>}	N[6](C[6a]C[6a,6a]C[6a])(B[6]N[5,6]FF)(N[6]C[6]){1|C<2>,1|H<1>,5|C<3>}	106.5330	0.000	1	106.5330	0.000	1	106.5330	0.000	1	106.5330	0.000	1	106.2908	6.271	21	106.3841	4.201	44
874	542	856	6:SP3_SP2_SP2	B[6]	N[5,6]	N[6]	3:3:1:1:	3:3:4:	3:4:3:	N[5,6]-3:N[6]-3:F-1:F-1:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[6,6a]-3:B[6]-4:C[6a]-3:	B[6](N[5,6]C[5,6a]C[5,6])(N[6]C[6,6a]C[6a])(F)2	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5])(B[6]N[6]FF)	N[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF)(C[6a]C[6a]2)	B[6](N[5,6]C[5,6a]C[5,6])(N[6]C[6,6a]C[6a])(F)2{1|O<2>,6|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5])(B[6]N[6]FF){1|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF)(C[6a]C[6a]2){1|H<1>,2|C<4>,6|C<3>}	106.9580	0.422	3	106.7602	0.162	5	106.7602	0.162	5	107.7103	0.856	13	106.2908	6.271	21	106.3841	4.201	44
874	542	856	6:SP3_SP2_SP2	B[6]	N[5,6]	N[6]	3:3:1:1:	3:3:4:	3:4:3:	N[5,6]-3:N[6]-3:F-1:F-1:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[6,6a]-3:B[6]-4:C[6a]-3:	B[6](N[5,6]C[5,6a]C[5,6])(N[6]C[6,6a]C[6a])(F)2	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5])(B[6]N[6]FF)	N[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF)(C[6a]C[6a]2)	B[6](N[5,6]C[5,6a]C[5,6])(N[6]C[6,6a]C[6a])(F)2{1|O<2>,6|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5])(B[6]N[6]FF){1|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF)(C[6a]C[6a]2){2|Br<1>,1|H<1>,6|C<3>}	106.4670	0.000	1	106.7602	0.162	5	106.7602	0.162	5	107.7103	0.856	13	106.2908	6.271	21	106.3841	4.201	44
874	542	856	6:SP3_SP2_SP2	B[6]	N[5,6]	N[6]	3:3:1:1:	3:3:4:	3:4:3:	N[5,6]-3:N[6]-3:F-1:F-1:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[6,6a]-3:B[6]-4:C[6a]-3:	B[6](N[5,6]C[5,6a]C[5,6])(N[6]C[6,6a]C[6a])(F)2	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5])(B[6]N[6]FF)	N[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF)(C[6a]C[6a]2)	B[6](N[5,6]C[5,6a]C[5,6])(N[6]C[6,6a]C[6a])(F)2{1|O<2>,6|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5])(B[6]N[6]FF){1|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF)(C[6a]C[6a]2){2|Cl<1>,1|H<1>,6|C<3>}	106.4600	0.000	1	106.7602	0.162	5	106.7602	0.162	5	107.7103	0.856	13	106.2908	6.271	21	106.3841	4.201	44
874	542	856	6:SP3_SP2_SP2	B[6]	N[5,6]	N[6]	3:3:1:1:	3:3:4:	3:4:3:	N[5,6]-3:N[6]-3:F-1:F-1:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[6]-3:B[6]-4:C[6a]-3:	B[6](N[5,6]C[5,6a]C[5,6])(N[6]C[6a]C[6])(F)2	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]N[6]FF)	N[6](C[6]C[6a]C[6])(B[6]N[5,6]FF)(C[6a]C[6a]2)	B[6](N[5,6]C[5,6a]C[5,6])(N[6]C[6a]C[6])(F)2{1|S<2>,6|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]N[6]FF){1|H<1>,5|C<3>}	N[6](C[6]C[6a]C[6])(B[6]N[5,6]FF)(C[6a]C[6a]2){2|H<1>,7|C<3>}	108.1275	0.329	2	108.3041	0.327	8	108.3041	0.327	8	107.7103	0.856	13	106.2908	6.271	21	106.3841	4.201	44
874	542	856	6:SP3_SP2_SP2	B[6]	N[5,6]	N[6]	3:3:1:1:	3:3:4:	3:4:3:	N[5,6]-3:N[6]-3:F-1:F-1:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[6]-3:B[6]-4:C[6a]-3:	B[6](N[5,6]C[5,6a]C[5,6])(N[6]C[6a]C[6])(F)2	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]N[6]FF)	N[6](C[6]C[6a]C[6])(B[6]N[5,6]FF)(C[6a]C[6a]2)	B[6](N[5,6]C[5,6a]C[5,6])(N[6]C[6a]C[6])(F)2{1|S<2>,6|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]N[6]FF){2|H<1>,4|C<3>}	N[6](C[6]C[6a]C[6])(B[6]N[5,6]FF)(C[6a]C[6a]2){1|H<1>,2|C<4>,6|C<3>}	107.8680	0.974	2	108.3041	0.327	8	108.3041	0.327	8	107.7103	0.856	13	106.2908	6.271	21	106.3841	4.201	44
874	542	856	6:SP3_SP2_SP2	B[6]	N[5,6]	N[6]	3:3:1:1:	3:3:4:	3:4:3:	N[5,6]-3:N[6]-3:F-1:F-1:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[6]-3:B[6]-4:C[6a]-3:	B[6](N[5,6]C[5,6a]C[5,6])(N[6]C[6a]C[6])(F)2	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]N[6]FF)	N[6](C[6]C[6a]C[6])(B[6]N[5,6]FF)(C[6a]C[6a]2)	B[6](N[5,6]C[5,6a]C[5,6])(N[6]C[6a]C[6])(F)2{1|S<2>,6|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]N[6]FF){2|H<1>,4|C<3>}	N[6](C[6]C[6a]C[6])(B[6]N[5,6]FF)(C[6a]C[6a]2){3|H<1>,6|C<3>}	108.6105	0.372	4	108.3041	0.327	8	108.3041	0.327	8	107.7103	0.856	13	106.2908	6.271	21	106.3841	4.201	44
874	542	856	6:SP3_SP2_SP2	B[6]	N[5,6]	N[6]	3:3:1:1:	3:4:4:	3:4:3:	N[5,6]-3:N[6]-3:F-1:F-1:	C[5,6]-3:B[6]-4:C[5]-4:	C[6,6a]-3:B[6]-4:C[6a]-3:	B[6](N[5,6]C[5,6]C[5])(N[6]C[6,6a]C[6a])(F)2	N[5,6](C[5,6]C[6,6a]O[5])(B[6]N[6]FF)(C[5]C[5]CC)	N[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF)(C[6a]C[6a]2)	B[6](N[5,6]C[5,6]C[5])(N[6]C[6,6a]C[6a])(F)2{1|O<2>,3|C<4>,4|C<3>}	N[5,6](C[5,6]C[6,6a]O[5])(B[6]N[6]FF)(C[5]C[5]CC){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF)(C[6a]C[6a]2){1|H<1>,3|C<4>,5|C<3>}	107.2880	0.304	2	107.2880	0.092	2	107.2880	0.092	2	107.2880	0.092	2	106.2908	6.271	21	106.3841	4.201	44
874	542	856	6:SP3_SP2_SP2	B[6]	N[5,6]	N[6]	3:3:3:3:	3:4:3:	3:4:1:	N[5,6]-3:N[6]-3:C[6a]-3:C[6a]-3:	N[5,6]-3:B[6]-4:C[5]-3:	C[6,6a]-3:B[6]-4:H-1:	B[6](N[5,6]N[5,6]C[5])(N[6]C[6,6a]H)(C[6a]C[6a]2)2	N[5,6](N[5,6]C[6,6a]C[5])(B[6]C[6a]2N[6])(C[5]C[5]H)	N[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]C[6a]2)(H)	B[6](N[5,6]N[5,6]C[5])(N[6]C[6,6a]H)(C[6a]C[6a]2)2{5|H<1>,8|C<3>}	N[5,6](N[5,6]C[6,6a]C[5])(B[6]C[6a]2N[6])(C[5]C[5]H){3|H<1>,6|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]C[6a]2)(H){1|H<1>,1|N<3>,7|C<3>}	101.9710	0.100	3	101.9710	0.010	3	101.9710	0.010	3	101.9710	0.010	3	106.2908	6.271	21	106.3841	4.201	44
874	542	856	6:SP3_SP2_SP2	B[6]	N[5,6]	N[6]	3:3:3:3:	3:4:3:	4:3:1:	N[5,6]-3:N[6]-3:C[6a]-3:C[6a]-3:	N[5,6]-3:B[6]-4:C[5]-3:	B[6]-4:C[6,6a]-3:H-1:	B[6](N[5,6]N[5,6]C[5])(N[6]C[6,6a]H)(C[6a]C[6a]2)2	N[5,6](N[5,6]C[6,6a]C[5])(B[6]C[6a]2N[6])(C[5]C[5]H)	N[6](B[6]N[5,6]C[6a]2)(C[6,6a]C[6,6a]2)(H)	B[6](N[5,6]N[5,6]C[5])(N[6]C[6,6a]H)(C[6a]C[6a]2)2{5|H<1>,8|C<3>}	N[5,6](N[5,6]C[6,6a]C[5])(B[6]C[6a]2N[6])(C[5]C[5]H){3|H<1>,6|C<3>}	N[6](B[6]N[5,6]C[6a]2)(C[6,6a]C[6,6a]2)(H){2|N<3>,7|C<3>}	102.4255	0.968	2	102.4255	0.937	2	102.4255	0.937	2	102.4255	0.937	2	106.2908	6.271	21	106.3841	4.201	44
874	542	893	0:SP3_SP2_SP2	B[6]	N[5,6]	O	3:3:2:2:	3:3:4:	4:3:	N[5a,6]-3:N[5,6]-3:O-2:O-2:	C[5,6a]-3:C[5,6]-3:B[6]-4:	B[6]-4:C[6a]-3:	B[6](N[5a,6]C[5a,6,6]C[5a,6a])(N[5,6]C[5,6a]C[5,6])(OC[6a])2	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]S[5])(B[6]N[5a,6]OO)	O(B[6]N[5a,6]N[5,6]O)(C[6a]C[6a]2)	B[6](N[5a,6]C[5a,6,6]C[5a,6a])(N[5,6]C[5,6a]C[5,6])(OC[6a])2{1|S<2>,6|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]S[5])(B[6]N[5a,6]OO){1|C<2>,1|H<1>,4|C<3>}	O(B[6]N[5a,6]N[5,6]O)(C[6a]C[6a]2)	107.1880	7.160	2	107.1880	51.268	2	107.3323	32.404	4	107.3323	32.404	4	107.3323	32.404	4	107.3323	32.404	4
874	542	893	0:SP3_SP2_SP2	B[6]	N[5,6]	O	3:3:2:2:	3:3:4:	4:3:	N[5a,6]-3:N[5,6]-3:O-2:O-2:	C[5,6a]-3:C[5,6]-3:B[6]-4:	B[6]-4:C[6a]-3:	B[6](N[5a,6]C[5a,6,6a]C[5a,6a])(N[5,6]C[5,6a]C[5,6])(OC[6a])2	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5])(B[6]N[5a,6]OO)	O(B[6]N[5a,6]N[5,6]O)(C[6a]C[6a]2)	B[6](N[5a,6]C[5a,6,6a]C[5a,6a])(N[5,6]C[5,6a]C[5,6])(OC[6a])2{1|O<2>,6|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5])(B[6]N[5a,6]OO){1|H<1>,5|C<3>}	O(B[6]N[5a,6]N[5,6]O)(C[6a]C[6a]2)	107.4765	6.772	2	107.4765	45.859	2	107.3323	32.404	4	107.3323	32.404	4	107.3323	32.404	4	107.3323	32.404	4
874	542	893	0:SP3_SP2_SP3	B[6]	N[5,6]	O	3:3:3:2:	4:3:3:	4:4:	N[5,6]-3:N[5,6]-3:C[6a]-3:O-2:	B[6]-4:N[5,6]-3:C[5]-3:	B[6]-4:C-4:	B[6](N[5,6]N[5,6]C[5])2(C[6a]C[6a]2)(OC)	N[5,6](B[6]N[5,6]C[6a]O)(N[5,6]B[6]C[5])(C[5]C[5]H)	O(B[6]N[5,6]2C[6a])(CH3)	B[6](N[5,6]N[5,6]C[5])2(C[6a]C[6a]2)(OC){1|B<4>,4|H<1>,6|C<3>}	N[5,6](B[6]N[5,6]C[6a]O)(N[5,6]B[6]C[5])(C[5]C[5]H){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	O(B[6]N[5,6]2C[6a])(CH3)	110.1810	0.707	14	110.1810	0.500	14	110.1810	0.500	14	110.9041	2.363	18	110.9041	2.363	18	110.9041	2.363	18
874	542	893	0:SP3_SP2_SP3	B[6]	N[5,6]	O	3:3:3:2:	4:3:3:	4:4:	N[5,6]-3:N[5,6]-3:N[5a]-3:O-2:	B[6]-4:N[5,6]-3:C[5]-3:	B[6]-4:B[6]-4:	B[6](N[5,6]N[5,6]C[5])2(N[5a]C[5a]N[5a])(OB[6])	N[5,6](B[6]N[5,6]N[5a]O)(N[5,6]B[6]C[5])(C[5]C[5]H)	O(B[6]N[5,6]2N[5a])2	B[6](N[5,6]N[5,6]C[5])2(N[5a]C[5a]N[5a])(OB[6]){1|B<4>,3|H<1>,6|C<3>}	N[5,6](B[6]N[5,6]N[5a]O)(N[5,6]B[6]C[5])(C[5]C[5]H){1|N<2>,1|O<2>,2|C<3>,2|H<1>,2|N<3>}	O(B[6]N[5,6]2N[5a])2	113.4347	0.498	4	113.4347	0.248	4	113.4347	0.248	4	110.9041	2.363	18	110.9041	2.363	18	110.9041	2.363	18
874	542	951	0:SP3_SP-NON_SP2	B[3x6]	N[5,6,6]	H	3:3:3:1:	3:3:4:	4:	N[5,6,6]-3:N[5,6,6]-3:N[5,6,6]-3:H-1:	N[5,6,6]-3:C[5,6a]-3:B[3x6]-4:	B[3x6]-4:	B[3x6](N[5,6,6]N[5,6,6]C[5,6a])3(H)	N[5,6,6](N[5,6,6]Nb[3,3x6]C[5])(C[5,6a]C[5,6a]C[6a])(B[3x6]N[5,6,6]2H)	H(B[3x6]N[5,6,6]3)	B[3x6](N[5,6,6]N[5,6,6]C[5,6a])3(H){1|Nb<7>,9|C<3>}	N[5,6,6](N[5,6,6]Nb[3,3x6]C[5])(C[5,6a]C[5,6a]C[6a])(B[3x6]N[5,6,6]2H){2|Cl<1>,1|C<4>,1|H<1>,2|N<3>,6|C<3>}	H(B[3x6]N[5,6,6]3)	109.3123	0.074	3	109.3123	0.006	3	109.3123	0.006	3	109.3123	0.006	3	109.8102	2.989	39	109.7484	2.931	59
874	542	951	0:SP3_SP-NON_SP2	B[3x6]	N[5,6,6]	H	3:3:3:1:	3:4:3:	4:	N[5,6,6]-3:N[5,6,6]-3:N[5,6,6]-3:H-1:	N[5,6,6]-3:B[3x6]-4:C[5]-3:	B[3x6]-4:	B[3x6](N[5,6,6]N[5,6,6]C[5])3(H)	N[5,6,6](N[5,6,6]B[3x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]H)	H(B[3x6]N[5,6,6]3)	B[3x6](N[5,6,6]N[5,6,6]C[5])3(H){1|B<4>,3|H<1>,6|C<3>}	N[5,6,6](N[5,6,6]B[3x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]H){2|H<1>,2|N<3>,3|C<3>}	H(B[3x6]N[5,6,6]3)	114.6790	1.047	2	114.6790	1.095	2	109.8516	3.222	36	109.8516	3.222	36	109.8102	2.989	39	109.7484	2.931	59
874	542	951	0:SP3_SP-NON_SP2	B[3x6]	N[5,6,6]	H	3:3:3:1:	3:4:3:	4:	N[5,6,6]-3:N[5,6,6]-3:N[5,6,6]-3:H-1:	N[5,6,6]-3:B[3x6]-4:C[5]-3:	B[3x6]-4:	B[3x6](N[5,6,6]N[5,6,6]C[5])3(H)	N[5,6,6](N[5,6,6]Ge[3x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]C)	H(B[3x6]N[5,6,6]3)	B[3x6](N[5,6,6]N[5,6,6]C[5])3(H){1|Ge<6>,3|C<4>,6|C<3>}	N[5,6,6](N[5,6,6]Ge[3x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]C){1|C<4>,1|H<1>,2|C<3>,2|N<3>,3|N<2>}	H(B[3x6]N[5,6,6]3)	111.4120	0.010	2	111.4120	0.000	2	109.8516	3.222	36	109.8516	3.222	36	109.8102	2.989	39	109.7484	2.931	59
874	542	951	0:SP3_SP-NON_SP2	B[3x6]	N[5,6,6]	H	3:3:3:1:	3:4:3:	4:	N[5,6,6]-3:N[5,6,6]-3:N[5,6,6]-3:H-1:	N[5,6,6]-3:B[3x6]-4:C[5]-3:	B[3x6]-4:	B[3x6](N[5,6,6]N[5,6,6]C[5])3(H)	N[5,6,6](N[5,6,6]In[4x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]C)	H(B[3x6]N[5,6,6]3)	B[3x6](N[5,6,6]N[5,6,6]C[5])3(H){1|In<6>,3|C<4>,6|C<3>}	N[5,6,6](N[5,6,6]In[4x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]C){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>,2|N<3>,2|O<2>}	H(B[3x6]N[5,6,6]3)	109.3040	0.923	3	109.3040	0.852	3	109.8516	3.222	36	109.8516	3.222	36	109.8102	2.989	39	109.7484	2.931	59
874	542	951	0:SP3_SP-NON_SP2	B[3x6]	N[5,6,6]	H	3:3:3:1:	3:4:3:	4:	N[5,6,6]-3:N[5,6,6]-3:N[5,6,6]-3:H-1:	N[5,6,6]-3:B[3x6]-4:C[5]-3:	B[3x6]-4:	B[3x6](N[5,6,6]N[5,6,6]C[5])3(H)	N[5,6,6](N[5,6,6]Nb[3,3,3x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]C)	H(B[3x6]N[5,6,6]3)	B[3x6](N[5,6,6]N[5,6,6]C[5])3(H){1|Nb<8>,3|C<4>,6|C<3>}	N[5,6,6](N[5,6,6]Nb[3,3,3x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]C){1|C<2>,1|C<4>,1|H<1>,2|N<3>,6|C<3>}	H(B[3x6]N[5,6,6]3)	109.5567	0.030	3	109.3267	0.065	6	109.8516	3.222	36	109.8516	3.222	36	109.8102	2.989	39	109.7484	2.931	59
874	542	951	0:SP3_SP-NON_SP2	B[3x6]	N[5,6,6]	H	3:3:3:1:	3:4:3:	4:	N[5,6,6]-3:N[5,6,6]-3:N[5,6,6]-3:H-1:	N[5,6,6]-3:B[3x6]-4:C[5]-3:	B[3x6]-4:	B[3x6](N[5,6,6]N[5,6,6]C[5])3(H)	N[5,6,6](N[5,6,6]Nb[3,3,3x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]C)	H(B[3x6]N[5,6,6]3)	B[3x6](N[5,6,6]N[5,6,6]C[5])3(H){1|Nb<8>,3|C<4>,6|C<3>}	N[5,6,6](N[5,6,6]Nb[3,3,3x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]C){1|H<1>,3|C<4>,3|N<3>,4|C<3>}	H(B[3x6]N[5,6,6]3)	109.0967	0.044	3	109.3267	0.065	6	109.8516	3.222	36	109.8516	3.222	36	109.8102	2.989	39	109.7484	2.931	59
874	542	951	0:SP3_SP-NON_SP2	B[3x6]	N[5,6,6]	H	3:3:3:1:	3:4:3:	4:	N[5,6,6]-3:N[5,6,6]-3:N[5,6,6]-3:H-1:	N[5,6,6]-3:B[3x6]-4:C[5]-3:	B[3x6]-4:	B[3x6](N[5,6,6]N[5,6,6]C[5])3(H)	N[5,6,6](N[5,6,6]Nb[3,3x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]C)	H(B[3x6]N[5,6,6]3)	B[3x6](N[5,6,6]N[5,6,6]C[5])3(H){1|Nb<7>,3|C<4>,6|C<3>}	N[5,6,6](N[5,6,6]Nb[3,3x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]C){1|C<2>,1|H<1>,2|C<4>,2|N<3>,4|C<3>}	H(B[3x6]N[5,6,6]3)	109.7393	0.053	3	109.4945	0.064	14	109.8516	3.222	36	109.8516	3.222	36	109.8102	2.989	39	109.7484	2.931	59
874	542	951	0:SP3_SP-NON_SP2	B[3x6]	N[5,6,6]	H	3:3:3:1:	3:4:3:	4:	N[5,6,6]-3:N[5,6,6]-3:N[5,6,6]-3:H-1:	N[5,6,6]-3:B[3x6]-4:C[5]-3:	B[3x6]-4:	B[3x6](N[5,6,6]N[5,6,6]C[5])3(H)	N[5,6,6](N[5,6,6]Nb[3,3x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]C)	H(B[3x6]N[5,6,6]3)	B[3x6](N[5,6,6]N[5,6,6]C[5])3(H){1|Nb<7>,3|C<4>,6|C<3>}	N[5,6,6](N[5,6,6]Nb[3,3x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]C){1|C<4>,1|H<1>,2|N<3>,6|C<3>}	H(B[3x6]N[5,6,6]3)	109.4955	0.005	2	109.4945	0.064	14	109.8516	3.222	36	109.8516	3.222	36	109.8102	2.989	39	109.7484	2.931	59
874	542	951	0:SP3_SP-NON_SP2	B[3x6]	N[5,6,6]	H	3:3:3:1:	3:4:3:	4:	N[5,6,6]-3:N[5,6,6]-3:N[5,6,6]-3:H-1:	N[5,6,6]-3:B[3x6]-4:C[5]-3:	B[3x6]-4:	B[3x6](N[5,6,6]N[5,6,6]C[5])3(H)	N[5,6,6](N[5,6,6]Nb[3,3x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]C)	H(B[3x6]N[5,6,6]3)	B[3x6](N[5,6,6]N[5,6,6]C[5])3(H){1|Nb<7>,3|C<4>,6|C<3>}	N[5,6,6](N[5,6,6]Nb[3,3x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]C){1|H<1>,2|C<4>,2|N<3>,5|C<3>}	H(B[3x6]N[5,6,6]3)	109.5197	0.272	6	109.4945	0.064	14	109.8516	3.222	36	109.8516	3.222	36	109.8102	2.989	39	109.7484	2.931	59
874	542	951	0:SP3_SP-NON_SP2	B[3x6]	N[5,6,6]	H	3:3:3:1:	3:4:3:	4:	N[5,6,6]-3:N[5,6,6]-3:N[5,6,6]-3:H-1:	N[5,6,6]-3:B[3x6]-4:C[5]-3:	B[3x6]-4:	B[3x6](N[5,6,6]N[5,6,6]C[5])3(H)	N[5,6,6](N[5,6,6]Nb[3,3x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]C)	H(B[3x6]N[5,6,6]3)	B[3x6](N[5,6,6]N[5,6,6]C[5])3(H){1|Nb<7>,3|C<4>,6|C<3>}	N[5,6,6](N[5,6,6]Nb[3,3x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]C){1|H<1>,2|N<3>,3|C<4>,4|C<3>}	H(B[3x6]N[5,6,6]3)	109.1987	0.076	3	109.4945	0.064	14	109.8516	3.222	36	109.8516	3.222	36	109.8102	2.989	39	109.7484	2.931	59
874	542	951	0:SP3_SP-NON_SP2	B[3x6]	N[5,6,6]	H	3:3:3:1:	3:4:3:	4:	N[5,6,6]-3:N[5,6,6]-3:N[5,6,6]-3:H-1:	N[5,6,6]-3:B[3x6]-4:C[5]-3:	B[3x6]-4:	B[3x6](N[5,6,6]N[5,6,6]C[5])3(H)	N[5,6,6](N[5,6,6]Nb[3x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]C)	H(B[3x6]N[5,6,6]3)	B[3x6](N[5,6,6]N[5,6,6]C[5])3(H){1|Nb<6>,3|C<4>,6|C<3>}	N[5,6,6](N[5,6,6]Nb[3x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]C){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>,2|C<4>,2|N<3>}	H(B[3x6]N[5,6,6]3)	109.3970	3.217	6	109.3970	10.348	6	109.8516	3.222	36	109.8516	3.222	36	109.8102	2.989	39	109.7484	2.931	59
874	542	951	0:SP3_SP-NON_SP2	B[3x6]	N[5,6,6]	H	3:3:3:1:	3:4:3:	4:	N[5,6,6]-3:N[5,6,6]-3:N[5,6,6]-3:H-1:	N[5,6,6]-3:B[3x6]-4:C[5]-3:	B[3x6]-4:	B[3x6](N[5,6,6]N[5,6,6]C[5])3(H)	N[5,6,6](N[5,6,6]Nb[4x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]C)	H(B[3x6]N[5,6,6]3)	B[3x6](N[5,6,6]N[5,6,6]C[5])3(H){1|Nb<6>,3|C<4>,6|C<3>}	N[5,6,6](N[5,6,6]Nb[4x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]C){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|N<3>,3|C<3>}	H(B[3x6]N[5,6,6]3)	109.7667	0.047	3	109.7667	0.002	3	109.8516	3.222	36	109.8516	3.222	36	109.8102	2.989	39	109.7484	2.931	59
874	542	951	0:SP3_SP-NON_SP2	B[6]	N[5,6]	H	3:3:1:1:	3:4:2:	4:	N[5,6]-3:N[5,6]-3:H-1:H-1:	N[5,6]-3:B[6]-4:C[5]-2:	B[6]-4:	B[6](N[5,6]N[5,6]C[5])2(H)2	N[5,6](N[5,6]B[6]C[5])(B[6]N[5,6]HH)(C[5]C[5])	H(B[6]N[5,6]2H)	B[6](N[5,6]N[5,6]C[5])2(H)2{1|B<4>,1|C<2>,1|H<1>,3|C<3>}	N[5,6](N[5,6]B[6]C[5])(B[6]N[5,6]HH)(C[5]C[5]){1|C<3>,1|I<1>,1|N<3>,3|H<1>}	H(B[6]N[5,6]2H)	108.6675	1.241	2	108.6675	1.540	2	108.6675	1.540	2	108.6675	1.540	2	109.5316	2.915	19	109.7484	2.931	59
874	542	951	0:SP3_SP-NON_SP2	B[6]	N[5,6]	H	3:3:1:1:	3:4:3:	4:	N[5,6]-3:N[5,6]-3:H-1:H-1:	N[5,6]-3:B[6]-4:C[5]-3:	B[6]-4:	B[6](N[5,6]N[5,6]C[5])2(H)2	N[5,6](N[5,6]B[6]C[5])(B[6]N[5,6]HH)(C[5]C[5]H)	H(B[6]N[5,6]2H)	B[6](N[5,6]N[5,6]C[5])2(H)2{1|B<4>,1|C<2>,1|H<1>,3|C<3>}	N[5,6](N[5,6]B[6]C[5])(B[6]N[5,6]HH)(C[5]C[5]H){1|C<2>,1|I<1>,1|N<3>,2|H<1>}	H(B[6]N[5,6]2H)	109.0810	0.348	2	109.0122	0.148	6	109.0122	0.148	6	109.0122	0.148	6	109.5316	2.915	19	109.7484	2.931	59
874	542	951	0:SP3_SP-NON_SP2	B[6]	N[5,6]	H	3:3:1:1:	3:4:3:	4:	N[5,6]-3:N[5,6]-3:H-1:H-1:	N[5,6]-3:B[6]-4:C[5]-3:	B[6]-4:	B[6](N[5,6]N[5,6]C[5])2(H)2	N[5,6](N[5,6]B[6]C[5])(B[6]N[5,6]HH)(C[5]C[5]H)	H(B[6]N[5,6]2H)	B[6](N[5,6]N[5,6]C[5])2(H)2{1|B<4>,2|H<1>,4|C<3>}	N[5,6](N[5,6]B[6]C[5])(B[6]N[5,6]HH)(C[5]C[5]H){1|C<2>,1|C<3>,1|N<3>,3|H<1>}	H(B[6]N[5,6]2H)	108.9778	0.450	4	109.0122	0.148	6	109.0122	0.148	6	109.0122	0.148	6	109.5316	2.915	19	109.7484	2.931	59
874	542	951	0:SP3_SP-NON_SP2	B[6]	N[5,6]	H	3:3:3:1:	3:4:3:	4:	N[5,6]-3:N[5,6]-3:N[5]-3:H-1:	C[5,6a]-3:B[6]-4:C[5,6]-3:	B[6]-4:	B[6](N[5,6]C[5,6a]C[5,6])2(N[5]C[5,6a]C[5])(H)	N[5,6](C[5,6a]C[5,6a]C[6a])(B[6]N[5,6]N[5]H)(C[5,6]S[5]S[6])	H(B[6]N[5,6]2N[5])	B[6](N[5,6]C[5,6a]C[5,6])2(N[5]C[5,6a]C[5])(H){1|S<1>,4|S<2>,6|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(B[6]N[5,6]N[5]H)(C[5,6]S[5]S[6]){1|H<1>,6|C<3>}	H(B[6]N[5,6]2N[5])	107.8650	1.498	2	107.8650	2.243	2	107.8650	2.243	2	107.8650	2.243	2	109.5316	2.915	19	109.7484	2.931	59
874	542	951	0:SP3_SP-NON_SP2	B[6]	N[5,6]	H	3:3:3:1:	4:3:3:	4:	N[5,6]-3:N[5,6]-3:N[5a]-3:H-1:	B[6]-4:N[5,6]-3:C[5]-3:	B[6]-4:	B[6](N[5,6]N[5,6]C[5])2(N[5a]C[5a]N[5a])(H)	N[5,6](B[6]N[5,6]N[5a]H)(N[5,6]B[6]C[5])(C[5]C[5]H)	H(B[6]N[5,6]2N[5a])	B[6](N[5,6]N[5,6]C[5])2(N[5a]C[5a]N[5a])(H){1|B<4>,2|H<1>,7|C<3>}	N[5,6](B[6]N[5,6]N[5a]H)(N[5,6]B[6]C[5])(C[5]C[5]H){1|N<2>,2|H<1>,2|N<3>,3|C<3>}	H(B[6]N[5,6]2N[5a])	107.9340	2.111	2	109.5664	4.036	5	110.4987	5.290	7	110.4987	5.290	7	109.5316	2.915	19	109.7484	2.931	59
874	542	951	0:SP3_SP-NON_SP2	B[6]	N[5,6]	H	3:3:3:1:	4:3:3:	4:	N[5,6]-3:N[5,6]-3:N[5a]-3:H-1:	B[6]-4:N[5,6]-3:C[5]-3:	B[6]-4:	B[6](N[5,6]N[5,6]C[5])2(N[5a]C[5a]N[5a])(H)	N[5,6](B[6]N[5,6]N[5a]H)(N[5,6]B[6]C[5])(C[5]C[5]H)	H(B[6]N[5,6]2N[5a])	B[6](N[5,6]N[5,6]C[5])2(N[5a]C[5a]N[5a])(H){1|B<4>,3|H<1>,6|C<3>}	N[5,6](B[6]N[5,6]N[5a]H)(N[5,6]B[6]C[5])(C[5]C[5]H){1|N<2>,2|C<3>,2|N<3>,3|H<1>}	H(B[6]N[5,6]2N[5a])	110.6547	1.184	3	109.5664	4.036	5	110.4987	5.290	7	110.4987	5.290	7	109.5316	2.915	19	109.7484	2.931	59
874	542	951	0:SP3_SP-NON_SP2	B[6]	N[5,6]	H	3:3:3:1:	4:3:3:	4:	N[5,6]-3:N[5,6]-3:N[5a]-3:H-1:	B[6]-4:N[5,6]-3:C[5]-3:	B[6]-4:	B[6](N[5,6]N[5,6]C[5])2(N[5a]C[5a]N[5a])(H)	N[5,6](B[6]N[5,6]N[5a]H)(N[5,6]B[6]C[5])(C[5]C[6a]C[5])	H(B[6]N[5,6]2N[5a])	B[6](N[5,6]N[5,6]C[5])2(N[5a]C[5a]N[5a])(H){1|B<4>,2|H<1>,7|C<3>}	N[5,6](B[6]N[5,6]N[5a]H)(N[5,6]B[6]C[5])(C[5]C[6a]C[5]){1|N<2>,2|N<3>,3|H<1>,4|C<3>}	H(B[6]N[5,6]2N[5a])	112.8295	0.620	2	112.8295	0.385	2	110.4987	5.290	7	110.4987	5.290	7	109.5316	2.915	19	109.7484	2.931	59
874	542	951	0:SP3_SP-NON_SP2	B[6]	N[5,6]	H	4:3:1:1:	3:4:4:	4:	N[5,6]-4:N[5,6]-3:H-1:H-1:	C[5,6]-3:B[6]-4:C[5]-4:	B[6]-4:	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](C[5,6]N[5]O[6])(B[6]N[5,6]HH)(C[5]C[5]CH)	H(B[6]N[5,6]2H)	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>}	N[5,6](C[5,6]N[5]O[6])(B[6]N[5,6]HH)(C[5]C[5]CH){1|B<4>,2|H<1>,3|C<4>}	H(B[6]N[5,6]2H)	110.2360	0.020	2	110.2360	0.000	2	110.2360	0.000	2	110.2360	0.000	2	109.5316	2.915	19	109.7484	2.931	59
874	542	951	0:SP3_SP-NON_SP2	B[6]	N[5]	H	3:3:3:1:	3:4:3:	4:	N[5,6]-3:N[5,6]-3:N[5]-3:H-1:	C[5,6a]-3:B[6]-4:C[5]-3:	B[6]-4:	B[6](N[5,6]C[5,6a]C[5,6])2(N[5]C[5,6a]C[5])(H)	N[5](C[5,6a]C[5,6a]C[6a])(B[6]N[5,6]2H)(C[5]S[5]S)	H(B[6]N[5,6]2N[5])	B[6](N[5,6]C[5,6a]C[5,6])2(N[5]C[5,6a]C[5])(H){1|S<1>,4|S<2>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(B[6]N[5,6]2H)(C[5]S[5]S){1|H<1>,6|C<3>}	H(B[6]N[5,6]2N[5])	111.4560	0.000	1	111.4560	0.000	1	111.4560	0.000	1	111.4560	0.000	1	111.4560	0.000	1	109.7484	2.931	59
874	542	983	0:SP3_SP1_SP2	B[6]	N[5,6]	C	3:3:2:2:	3:3:4:	4:1:	N[5a,6]-3:N[5,6]-3:C-2:C-2:	C[5,6a]-3:C[5,6]-3:B[6]-4:	B[6]-4:N-1:	B[6](N[5a,6]C[5a,6,6a]C[5a,6a])(N[5,6]C[5,6a]C[5,6])(CN)2	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]S[5])(B[6]N[5a,6]CC)	C(B[6]N[5a,6]N[5,6]C)(N)	B[6](N[5a,6]C[5a,6,6a]C[5a,6a])(N[5,6]C[5,6a]C[5,6])(CN)2{1|S<2>,6|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]S[5])(B[6]N[5a,6]CC){1|H<1>,5|C<3>}	C(B[6]N[5a,6]N[5,6]C)(N)	109.2805	4.938	2	109.2805	24.381	2	109.2805	24.381	2	109.2805	24.381	2	109.2805	24.381	2	109.2805	24.381	2
874	542	999	6:SP3_SP2_SP3	B[6]	N[5,6]	N[5,6]	4:3:1:1:	3:4:4:	4:4:4:4:	N[5,6]-4:N[5,6]-3:H-1:H-1:	C[5,6]-3:B[6]-4:C[5]-4:	B[5,5,6]-4:B[6]-4:C[5]-4:C-4:	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](C[5,6]N[5]O[6])(B[6]N[5,6]HH)(C[5]C[5]CH)	N[5,6](B[5,5,6]N[5,5]O[5]O[6])(B[6]N[5,6]HH)(C[5]C[5]CH)(CH3)	B[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>}	N[5,6](C[5,6]N[5]O[6])(B[6]N[5,6]HH)(C[5]C[5]CH){1|B<4>,2|H<1>,3|C<4>}	N[5,6](B[5,5,6]N[5,5]O[5]O[6])(B[6]N[5,6]HH)(C[5]C[5]CH)(CH3){1|B<4>,1|C<3>,2|H<1>,3|C<4>}	107.3350	0.000	1	107.3350	0.000	1	107.3350	0.000	1	107.3350	0.000	1	107.3350	0.000	1	107.3350	0.000	1
874	618	892	0:SP3_SP2_SP3	B[6,6]	B[6,6]	N	4:3:4:4:	4:4:3:	4:4:4:1:	C[3x6]-4:B[6,6]-3:N-4:N-4:	C[3x6]-4:B[6,6]-4:N-3:	B[6,6]-4:C-4:C-4:H-1:	B[6,6](C[3x6]C[6,6,6a]2H)(B[6,6]C[3x6]N)(NCCH)2	B[6,6](C[3x6]C[6,6,6a]2H)(B[6,6]C[3x6]NN)(NCC)	N(B[6,6]B[6,6]C[3x6]N)(CH3)2(H)	B[6,6](C[3x6]C[6,6,6a]2H)(B[6,6]C[3x6]N)(NCCH)2{1|H<1>,4|C<3>}	B[6,6](C[3x6]C[6,6,6a]2H)(B[6,6]C[3x6]NN)(NCC){1|H<1>,4|C<3>}	N(B[6,6]B[6,6]C[3x6]N)(CH3)2(H)	113.3095	0.203	2	113.3095	0.041	2	113.3095	0.041	2	113.3095	0.041	2	113.3095	0.041	2	113.3095	0.041	2
874	622	622	0:SP3_SP2_SP2	B[3x6]	O[6]	O[6]	3:3:2:2:	4:3:	4:3:	N[5a,6,6]-3:N[5a,6,6]-3:O[6]-2:O[6]-2:	B[3x6]-4:C[6,6a]-3:	B[3x6]-4:C[6,6a]-3:	B[3x6](N[5a,6,6]C[5a,6]2)2(O[6]C[6,6a])2	O[6](B[3x6]N[5a,6,6]2O[6])(C[6,6a]C[6,6a]C[6a])	O[6](B[3x6]N[5a,6,6]2O[6])(C[6,6a]C[6,6a]C[6a])	B[3x6](N[5a,6,6]C[5a,6]2)2(O[6]C[6,6a])2{9|C<3>}	O[6](B[3x6]N[5a,6,6]2O[6])(C[6,6a]C[6,6a]C[6a]){1|H<1>,7|C<3>}	O[6](B[3x6]N[5a,6,6]2O[6])(C[6,6a]C[6,6a]C[6a]){1|H<1>,7|C<3>}	108.1490	0.000	1	108.9772	1.148	4	108.9772	1.148	4	108.9772	1.148	4	108.9772	1.148	4	106.8819	4.590	81
874	622	622	0:SP3_SP2_SP2	B[3x6]	O[6]	O[6]	3:3:2:2:	4:3:	4:3:	N[5a,6,6]-3:N[5a,6,6]-3:O[6]-2:O[6]-2:	B[3x6]-4:C[6,6a]-3:	B[3x6]-4:C[6,6a]-3:	B[3x6](N[5a,6,6]C[5a,6]2)2(O[6]C[6,6a])2	O[6](B[3x6]N[5a,6,6]2O[6])(C[6,6a]C[6,6a]C[6a])	O[6](B[3x6]N[5a,6,6]2O[6])(C[6,6a]C[6,6a]C[6a])	B[3x6](N[5a,6,6]C[5a,6]2)2(O[6]C[6,6a])2{9|C<3>}	O[6](B[3x6]N[5a,6,6]2O[6])(C[6,6a]C[6,6a]C[6a]){1|O<2>,7|C<3>}	O[6](B[3x6]N[5a,6,6]2O[6])(C[6,6a]C[6,6a]C[6a]){1|O<2>,7|C<3>}	109.2533	1.125	3	108.9772	1.148	4	108.9772	1.148	4	108.9772	1.148	4	108.9772	1.148	4	106.8819	4.590	81
874	622	622	0:SP3_SP2_SP2	B[6,6]	O[6]	O[6]	2:2:2:2:	3:4:	3:4:	O[6]-2:O[6]-2:O[6]-2:O[6]-2:	C[6,6a]-3:B[6,6]-4:	C[6,6a]-3:B[6,6]-4:	B[6,6](O[6]C[6,6a])2(O[6]C[6])2	O[6](C[6,6a]C[6,6a]C[6a])(B[6,6]O[6]3)	O[6](C[6,6a]C[6,6a]C[6a])(B[6,6]O[6]3)	B[6,6](O[6]C[6,6a])2(O[6]C[6])2{4|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6,6]O[6]3){2|C<4>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6,6]O[6]3){2|C<4>,4|C<3>}	107.0985	0.781	2	107.0985	0.611	2	107.4421	0.314	30	107.4421	0.314	30	106.7730	4.543	77	106.8819	4.590	81
874	622	622	0:SP3_SP2_SP2	B[6,6]	O[6]	O[6]	2:2:2:2:	3:4:	3:4:	O[6]-2:O[6]-2:O[6]-2:O[6]-2:	C[6,6a]-3:B[6,6]-4:	C[6,6a]-3:B[6,6]-4:	B[6,6](O[6]C[6,6a])4	O[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]O[6]3)	O[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]O[6]3)	B[6,6](O[6]C[6,6a])4{6|C<3>}	O[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]O[6]3){1|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]O[6]3){1|H<1>,5|C<3>}	107.4666	0.553	28	107.4666	0.306	28	107.4421	0.314	30	107.4421	0.314	30	106.7730	4.543	77	106.8819	4.590	81
874	622	622	0:SP3_SP2_SP2	B[6,6]	O[6]	O[6]	2:2:2:2:	4:3:	4:3:	O[6,6]-2:O[6]-2:O[6]-2:O-2:	B[6,6]-4:B[6]-3:	B[6,6]-4:B[6]-3:	B[6,6](O[6,6]B[6,6])(O[6]B[6])2(OH)	O[6](B[6,6]O[6,6]O[6]O)(B[6]O[6]O)	O[6](B[6,6]O[6,6]O[6]O)(B[6]O[6]O)	B[6,6](O[6,6]B[6,6])(O[6]B[6])2(OH){5|O<2>}	O[6](B[6,6]O[6,6]O[6]O)(B[6]O[6]O){1|B<3>,1|B<4>}	O[6](B[6,6]O[6,6]O[6]O)(B[6]O[6]O){1|B<3>,1|B<4>}	108.0590	0.732	4	108.0590	0.535	4	108.0590	0.535	4	108.0066	0.415	5	106.7730	4.543	77	106.8819	4.590	81
874	622	622	0:SP3_SP2_SP2	B[6,6]	O[6]	O[6]	2:2:2:2:	4:3:	4:3:	O[6]-2:O[6]-2:O[6]-2:O[6]-2:	B[6,6]-4:B[6]-3:	B[6,6]-4:B[6]-3:	B[6,6](O[6]B[6,6a])2(O[6]B[6])2	O[6](B[6,6]O[6]3)(B[6]O[6]O)	O[6](B[6,6]O[6]3)(B[6]O[6]O)	B[6,6](O[6]B[6,6a])2(O[6]B[6])2{8|O<2>}	O[6](B[6,6]O[6]3)(B[6]O[6]O){1|B<3>,2|B<4>}	O[6](B[6,6]O[6]3)(B[6]O[6]O){1|B<3>,2|B<4>}	107.7970	0.000	1	107.7970	0.000	1	107.7970	0.000	1	108.0066	0.415	5	106.7730	4.543	77	106.8819	4.590	81
874	622	622	0:SP3_SP2_SP2	B[6,6]	O[6]	O[6]	2:2:3:2:	3:4:	4:3:	O[6]-2:O[6]-2:N[6]-3:O[6]-2:	C[6,6a]-3:B[6,6]-4:	B[6,6]-4:B[6]-3:	B[6,6](O[6]C[6,6a])(O[6]B[6,6])(N[6]C[6]C)(O[6]B[6])	O[6](C[6,6a]C[6,6a]C[6a])(B[6,6]N[6]O[6]2)	O[6](B[6,6]N[6]O[6]2)(B[6]C[6a]O[6])	B[6,6](O[6]C[6,6a])(O[6]B[6,6])(N[6]C[6]C)(O[6]B[6]){1|H<1>,1|N<3>,2|O<2>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6,6]N[6]O[6]2){1|B<3>,1|B<4>,1|C<4>,1|H<1>,3|C<3>}	O[6](B[6,6]N[6]O[6]2)(B[6]C[6a]O[6]){1|B<4>,1|C<4>,4|C<3>}	110.2270	0.566	2	110.2270	0.320	2	110.2270	0.320	2	110.2270	0.320	2	106.7730	4.543	77	106.8819	4.590	81
874	622	622	0:SP3_SP2_SP2	B[6,6]	O[6]	O[6]	2:3:2:2:	4:3:	4:3:	O[6,6]-2:C[6a]-3:O[6]-2:O[6]-2:	B[6,6]-4:C[6]-3:	B[6,6]-4:C[6]-3:	B[6,6](O[6,6]B[6,6])(C[6a]C[6a]2)(O[6]C[6])2	O[6](B[6,6]O[6,6]C[6a]O[6])(C[6]C[6a]O[6])	O[6](B[6,6]O[6,6]C[6a]O[6])(C[6]C[6a]O[6])	B[6,6](O[6,6]B[6,6])(C[6a]C[6a]2)(O[6]C[6])2{2|F<1>,2|O<2>,5|C<3>}	O[6](B[6,6]O[6,6]C[6a]O[6])(C[6]C[6a]O[6]){1|B<4>,5|C<3>}	O[6](B[6,6]O[6,6]C[6a]O[6])(C[6]C[6a]O[6]){1|B<4>,5|C<3>}	102.5767	0.360	6	102.5767	0.129	6	102.2183	0.476	10	102.2183	0.476	10	106.7730	4.543	77	106.8819	4.590	81
874	622	622	0:SP3_SP2_SP2	B[6,6]	O[6]	O[6]	2:3:2:2:	4:3:	4:3:	O[6,6]-2:C[6a]-3:O[6]-2:O[6]-2:	B[6,6]-4:C[6]-3:	B[6,6]-4:C[6]-3:	B[6,6](O[6,6]B[6,6])(C[6a]C[6a]2)(O[6]C[6])2	O[6](B[6,6]O[6,6]C[6a]O[6])(C[6]O[6]C)	O[6](B[6,6]O[6,6]C[6a]O[6])(C[6]O[6]C)	B[6,6](O[6,6]B[6,6])(C[6a]C[6a]2)(O[6]C[6])2{1|Cl<1>,1|H<1>,2|C<4>,2|O<2>,3|C<3>}	O[6](B[6,6]O[6,6]C[6a]O[6])(C[6]O[6]C){1|B<4>,3|C<3>}	O[6](B[6,6]O[6,6]C[6a]O[6])(C[6]O[6]C){1|B<4>,3|C<3>}	101.5570	0.659	2	101.6808	0.570	4	102.2183	0.476	10	102.2183	0.476	10	106.7730	4.543	77	106.8819	4.590	81
874	622	622	0:SP3_SP2_SP2	B[6,6]	O[6]	O[6]	2:3:2:2:	4:3:	4:3:	O[6,6]-2:C[6a]-3:O[6]-2:O[6]-2:	B[6,6]-4:C[6]-3:	B[6,6]-4:C[6]-3:	B[6,6](O[6,6]B[6,6])(C[6a]C[6a]2)(O[6]C[6])2	O[6](B[6,6]O[6,6]C[6a]O[6])(C[6]O[6]C)	O[6](B[6,6]O[6,6]C[6a]O[6])(C[6]O[6]C)	B[6,6](O[6,6]B[6,6])(C[6a]C[6a]2)(O[6]C[6])2{1|H<1>,1|I<1>,2|C<4>,2|O<2>,3|C<3>}	O[6](B[6,6]O[6,6]C[6a]O[6])(C[6]O[6]C){1|B<4>,3|C<3>}	O[6](B[6,6]O[6,6]C[6a]O[6])(C[6]O[6]C){1|B<4>,3|C<3>}	101.8045	1.102	2	101.6808	0.570	4	102.2183	0.476	10	102.2183	0.476	10	106.7730	4.543	77	106.8819	4.590	81
874	622	622	0:SP3_SP2_SP2	B[6,6]	O[6]	O[6]	3:2:2:1:	4:3:	4:3:	N[3x6]-3:O[6]-2:O[6]-2:F-1:	B[6,6]-4:C[6]-3:	B[6,6]-4:C[6]-3:	B[6,6](N[3x6]C[6,6]2)(O[6]C[6])2(F)	O[6](B[6,6]N[3x6]O[6]F)(C[6]C[6a]N[6])	O[6](B[6,6]N[3x6]O[6]F)(C[6]C[6a]N[6])	B[6,6](N[3x6]C[6,6]2)(O[6]C[6])2(F){2|N<2>,4|C<3>}	O[6](B[6,6]N[3x6]O[6]F)(C[6]C[6a]N[6]){5|C<3>}	O[6](B[6,6]N[3x6]O[6]F)(C[6]C[6a]N[6]){5|C<3>}	110.3385	0.721	2	110.3385	0.519	2	110.3385	0.519	2	110.3385	0.519	2	106.7730	4.543	77	106.8819	4.590	81
874	622	622	0:SP3_SP2_SP2	B[6,6]	O[6]	O[6]	3:2:2:2:	3:4:	3:4:	N[3x6]-3:O[6]-2:O[6]-2:O-2:	C[6,6a]-3:B[6,6]-4:	C[6,6a]-3:B[6,6]-4:	B[6,6](N[3x6]C[6,6]2)(O[6]C[6,6a])2(OH)	O[6](C[6,6a]C[6,6a]C[6a])(B[6,6]N[3x6]O[6]O)	O[6](C[6,6a]C[6,6a]C[6a])(B[6,6]N[3x6]O[6]O)	B[6,6](N[3x6]C[6,6]2)(O[6]C[6,6a])2(OH){6|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6,6]N[3x6]O[6]O){1|Si<4>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6,6]N[3x6]O[6]O){1|Si<4>,5|C<3>}	106.9180	0.000	1	106.9180	0.000	1	106.9180	0.000	1	106.9180	0.000	1	106.7730	4.543	77	106.8819	4.590	81
874	622	622	0:SP3_SP2_SP2	B[6,6]	O[6]	O[6]	3:2:2:2:	4:3:	4:3:	O[3x6]-3:O[6]-2:O[6]-2:O-2:	B[6,6]-4:B[6]-3:	B[6,6]-4:B[6]-3:	B[6,6](O[3x6]B[6,6]2)(O[6]B[6])2(OH)	O[6](B[6,6]O[3x6]O[6]O)(B[6]O[6]O)	O[6](B[6,6]O[3x6]O[6]O)(B[6]O[6]O)	B[6,6](O[3x6]B[6,6]2)(O[6]B[6])2(OH){2|O<3>,6|O<2>}	O[6](B[6,6]O[3x6]O[6]O)(B[6]O[6]O){1|B<3>,2|B<4>}	O[6](B[6,6]O[3x6]O[6]O)(B[6]O[6]O){1|B<3>,2|B<4>}	108.5490	0.000	1	108.5490	0.000	1	108.5490	0.000	1	108.9353	0.135	3	106.7730	4.543	77	106.8819	4.590	81
874	622	622	0:SP3_SP2_SP2	B[6,6]	O[6]	O[6]	3:2:2:2:	4:3:	4:3:	O[6,6]-3:O[6]-2:O[6]-2:O-2:	B[6,6]-4:B[6]-3:	B[6,6]-4:B[6]-3:	B[6,6](O[6,6]B[6,6]Zn)(O[6]B[6])2(OH)	O[6](B[6,6]O[6,6]O[6]O)(B[6]O[6]O)	O[6](B[6,6]O[6,6]O[6]O)(B[6]O[6]O)	B[6,6](O[6,6]B[6,6]Zn)(O[6]B[6])2(OH){5|O<2>}	O[6](B[6,6]O[6,6]O[6]O)(B[6]O[6]O){1|Zn<4>,1|B<3>,1|B<4>}	O[6](B[6,6]O[6,6]O[6]O)(B[6]O[6]O){1|Zn<4>,1|B<3>,1|B<4>}	109.1285	0.213	2	109.1285	0.045	2	109.1285	0.045	2	108.9353	0.135	3	106.7730	4.543	77	106.8819	4.590	81
874	622	622	0:SP3_SP2_SP2	B[6,6]	O[6]	O[6]	3:2:2:3:	4:3:	4:3:	O[3x6]-3:O[6]-2:O[6]-2:O-3:	B[6,6]-4:B[6]-3:	B[6,6]-4:B[6]-3:	B[6,6](O[3x6]B[6,6]2)(O[6]B[6])2(OZnH)	O[6](B[6,6]O[3x6]O[6]O)(B[6]O[6]O)	O[6](B[6,6]O[3x6]O[6]O)(B[6]O[6]O)	B[6,6](O[3x6]B[6,6]2)(O[6]B[6])2(OZnH){1|O<3>,7|O<2>}	O[6](B[6,6]O[3x6]O[6]O)(B[6]O[6]O){1|B<3>,2|B<4>}	O[6](B[6,6]O[3x6]O[6]O)(B[6]O[6]O){1|B<3>,2|B<4>}	108.3195	2.092	2	108.3195	4.378	2	108.3195	4.378	2	108.3195	4.378	2	106.7730	4.543	77	106.8819	4.590	81
874	622	622	0:SP3_SP2_SP2	B[6,6]	O[6]	O[6]	3:3:2:2:	3:4:	3:4:	N[6]-3:N[6]-3:O[6]-2:O[6]-2:	C[6,6a]-3:B[6,6]-4:	C[6,6a]-3:B[6,6]-4:	B[6,6](N[6]C[6,6a]C)2(O[6]C[6,6a])2	O[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]N[6]2O[6])	O[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]N[6]2O[6])	B[6,6](N[6]C[6,6a]C)2(O[6]C[6,6a])2{6|C<3>}	O[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]N[6]2O[6]){1|H<1>,2|C<4>,5|C<3>}	O[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]N[6]2O[6]){1|H<1>,2|C<4>,5|C<3>}	106.8465	0.315	15	106.8465	0.100	15	106.8465	0.100	15	106.8465	0.100	15	106.7730	4.543	77	106.8819	4.590	81
874	622	622	0:SP3_SP2_SP2	B[6,6]	O[6]	O[6]	3:3:2:2:	4:3:	4:3:	N[3x6]-3:C[6a]-3:O[6]-2:O[6]-2:	B[6,6]-4:C[6,6a]-3:	B[6,6]-4:C[6,6a]-3:	B[6,6](N[3x6]C[6,6]2)(C[6a]C[6a]2)(O[6]C[6,6a])2	O[6](B[6,6]N[3x6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])	O[6](B[6,6]N[3x6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])	B[6,6](N[3x6]C[6,6]2)(C[6a]C[6a]2)(O[6]C[6,6a])2{1|H<1>,1|O<2>,8|C<3>}	O[6](B[6,6]N[3x6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a]){1|H<1>,7|C<3>}	O[6](B[6,6]N[3x6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a]){1|H<1>,7|C<3>}	105.4440	0.000	1	104.8732	0.200	5	104.8732	0.200	5	104.8732	0.200	5	106.7730	4.543	77	106.8819	4.590	81
874	622	622	0:SP3_SP2_SP2	B[6,6]	O[6]	O[6]	3:3:2:2:	4:3:	4:3:	N[3x6]-3:C[6a]-3:O[6]-2:O[6]-2:	B[6,6]-4:C[6,6a]-3:	B[6,6]-4:C[6,6a]-3:	B[6,6](N[3x6]C[6,6]2)(C[6a]C[6a]2)(O[6]C[6,6a])2	O[6](B[6,6]N[3x6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])	O[6](B[6,6]N[3x6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])	B[6,6](N[3x6]C[6,6]2)(C[6a]C[6a]2)(O[6]C[6,6a])2{2|H<1>,8|C<3>}	O[6](B[6,6]N[3x6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a]){1|H<1>,7|C<3>}	O[6](B[6,6]N[3x6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a]){1|H<1>,7|C<3>}	104.7305	0.362	4	104.8732	0.200	5	104.8732	0.200	5	104.8732	0.200	5	106.7730	4.543	77	106.8819	4.590	81
874	622	622	0:SP3_SP2_SP2	B[6,6]	O[6]	O[6]	4:2:2:2:	3:4:	3:4:	N[6,6]-4:O[6]-2:O[6]-2:O-2:	C[6,6a]-3:B[6,6]-4:	C[6,6a]-3:B[6,6]-4:	B[6,6](N[6,6]C[6]2C)(O[6]C[6,6a])2(OC)	O[6](C[6,6a]C[6,6a]C[6a])(B[6,6]N[6,6]O[6]O)	O[6](C[6,6a]C[6,6a]C[6a])(B[6,6]N[6,6]O[6]O)	B[6,6](N[6,6]C[6]2C)(O[6]C[6,6a])2(OC){4|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6,6]N[6,6]O[6]O){1|H<1>,3|C<3>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6,6]N[6,6]O[6]O){1|H<1>,3|C<3>,3|C<4>}	108.5850	0.000	1	108.5850	0.000	1	108.5850	0.000	1	108.5850	0.000	1	106.7730	4.543	77	106.8819	4.590	81
874	622	622	0:SP3_SP2_SP2	B[6,6]	O[6]	O[6]	4:3:2:2:	4:3:	4:3:	N[6,6]-4:C[6a]-3:O[6]-2:O[6]-2:	B[6,6]-4:C[6,6a]-3:	B[6,6]-4:C[6,6a]-3:	B[6,6](N[6,6]C[6]2C)(C[6a]C[6a]2)(O[6]C[6,6a])2	O[6](B[6,6]N[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])	O[6](B[6,6]N[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])	B[6,6](N[6,6]C[6]2C)(C[6a]C[6a]2)(O[6]C[6,6a])2{6|C<3>,6|H<1>}	O[6](B[6,6]N[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a]){1|H<1>,3|C<4>,5|C<3>}	O[6](B[6,6]N[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a]){1|H<1>,3|C<4>,5|C<3>}	108.9010	0.000	1	108.9010	0.000	1	108.9010	0.000	1	108.9010	0.000	1	106.7730	4.543	77	106.8819	4.590	81
874	622	622	0:SP3_SP2_SP3	B[6,6]	O[6]	O[6]	2:2:2:2:	3:4:	4:4:	O[6]-2:O[6]-2:O[6]-2:O[6]-2:	C[6,6a]-3:B[6,6]-4:	C[6]-4:B[6,6]-4:	B[6,6](O[6]C[6,6a])2(O[6]C[6])2	O[6](C[6,6a]C[6,6a]C[6a])(B[6,6]O[6]3)	O[6](C[6]C[6,6a]HH)(B[6,6]O[6]3)	B[6,6](O[6]C[6,6a])2(O[6]C[6])2{4|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6,6]O[6]3){2|C<4>,4|C<3>}	O[6](C[6]C[6,6a]HH)(B[6,6]O[6]3){1|C<4>,3|C<3>}	108.5845	0.887	4	108.5845	0.786	4	108.5845	0.786	4	108.5845	0.786	4	109.0100	1.229	9	109.0100	1.229	9
874	622	622	0:SP3_SP2_SP3	B[6,6]	O[6]	O[6]	2:2:2:2:	4:4:	4:3:	O[6]-2:O[6]-2:O[6]-2:O[6]-2:	B[6,6a]-4:B[6,6]-4:	B[6,6]-4:B[6]-3:	B[6,6](O[6]B[6,6a])2(O[6]B[6])2	O[6](B[6,6a]O[6a]2O[6])(B[6,6]O[6]3)	O[6](B[6,6]O[6]3)(B[6]O[6]O)	B[6,6](O[6]B[6,6a])2(O[6]B[6])2{8|O<2>}	O[6](B[6,6a]O[6a]2O[6])(B[6,6]O[6]3){1|B<4>,4|B<3>}	O[6](B[6,6]O[6]3)(B[6]O[6]O){1|B<3>,2|B<4>}	109.7535	0.668	2	109.7535	0.447	2	109.7535	0.447	2	109.7535	0.447	2	109.0100	1.229	9	109.0100	1.229	9
874	622	622	0:SP3_SP2_SP3	B[6,6]	O[6]	O[6]	2:2:3:2:	3:4:	4:4:	O[6]-2:O[6]-2:N[6]-3:O[6]-2:	C[6,6a]-3:B[6,6]-4:	B[6,6]-4:B[6,6]-4:	B[6,6](O[6]C[6,6a])(O[6]B[6,6])(N[6]C[6]C)(O[6]B[6])	O[6](C[6,6a]C[6,6a]C[6a])(B[6,6]N[6]O[6]2)	O[6](B[6,6]N[6]O[6]2)2	B[6,6](O[6]C[6,6a])(O[6]B[6,6])(N[6]C[6]C)(O[6]B[6]){1|H<1>,1|N<3>,2|O<2>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6,6]N[6]O[6]2){1|B<3>,1|B<4>,1|C<4>,1|H<1>,3|C<3>}	O[6](B[6,6]N[6]O[6]2)2{1|B<3>,2|C<4>,4|C<3>}	109.8500	1.281	2	109.8500	1.642	2	109.8500	1.642	2	109.8500	1.642	2	109.0100	1.229	9	109.0100	1.229	9
874	622	622	0:SP3_SP2_SP3	B[6,6]	O[6]	O[6]	3:2:2:2:	3:4:	4:4:	N[6,6]-3:O[6]-2:O[6]-2:O-2:	C[6,6a]-3:B[6,6]-4:	B[6,6]-4:C[6]-4:	B[6,6](N[6,6]C[6]2)(O[6]C[6,6a])(O[6]C[6])(OC)	O[6](C[6,6a]C[6,6a]C[6a])(B[6,6]N[6,6]O[6]O)	O[6](B[6,6]N[6,6]O[6]O)(C[6]C[6]HH)	B[6,6](N[6,6]C[6]2)(O[6]C[6,6a])(O[6]C[6])(OC){1|C<4>,2|C<3>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6,6]N[6,6]O[6]O){3|C<3>,3|C<4>}	O[6](B[6,6]N[6,6]O[6]O)(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>}	107.5450	0.000	1	107.5450	0.000	1	107.5450	0.000	1	107.5450	0.000	1	109.0100	1.229	9	109.0100	1.229	9
874	622	622	0:SP3_SP3_SP3	B[6,6]	O[6]	O[6]	2:2:2:2:	4:4:	4:4:	O[6]-2:O[6]-2:O[6]-2:O[6]-2:	B[6,6a]-4:B[6,6]-4:	B[6,6a]-4:B[6,6]-4:	B[6,6](O[6]B[6,6a])2(O[6]B[6])2	O[6](B[6,6a]O[6a]2O[6])(B[6,6]O[6]3)	O[6](B[6,6a]O[6a]2O[6])(B[6,6]O[6]3)	B[6,6](O[6]B[6,6a])2(O[6]B[6])2{8|O<2>}	O[6](B[6,6a]O[6a]2O[6])(B[6,6]O[6]3){1|B<4>,4|B<3>}	O[6](B[6,6a]O[6a]2O[6])(B[6,6]O[6]3){1|B<4>,4|B<3>}	107.6250	0.000	1	107.6250	0.000	1	107.6250	0.000	1	108.6037	0.931	3	109.3622	1.588	5	109.3622	1.588	5
874	622	622	0:SP3_SP3_SP3	B[6,6]	O[6]	O[6]	2:2:2:2:	4:4:	4:4:	O[6]-2:O[6]-2:O[6]-2:O[6]-2:	C[6]-4:B[6,6]-4:	C[6]-4:B[6,6]-4:	B[6,6](O[6]C[6,6a])2(O[6]C[6])2	O[6](C[6]C[6,6a]HH)(B[6,6]O[6]3)	O[6](C[6]C[6,6a]HH)(B[6,6]O[6]3)	B[6,6](O[6]C[6,6a])2(O[6]C[6])2{4|C<3>,4|H<1>}	O[6](C[6]C[6,6a]HH)(B[6,6]O[6]3){1|C<4>,3|C<3>}	O[6](C[6]C[6,6a]HH)(B[6,6]O[6]3){1|C<4>,3|C<3>}	109.0930	0.652	2	109.0930	0.425	2	109.0930	0.425	2	108.6037	0.931	3	109.3622	1.588	5	109.3622	1.588	5
874	622	622	0:SP3_SP3_SP3	B[6,6]	O[6]	O[6]	4:3:2:2:	4:4:	4:4:	N[6,6]-4:C[6a]-3:O[6]-2:O[6]-2:	B[6,6]-4:C[6]-4:	B[6,6]-4:C[6]-4:	B[6,6](N[6,6]C[6]2H)(C[6a]C[6a]2)(O[6]C[6])2	O[6](B[6,6]N[6,6]C[6a]O[6])(C[6]C[6]HH)	O[6](B[6,6]N[6,6]C[6a]O[6])(C[6]C[6]HH)	B[6,6](N[6,6]C[6]2H)(C[6a]C[6a]2)(O[6]C[6])2{10|H<1>,2|C<3>,2|C<4>}	O[6](B[6,6]N[6,6]C[6a]O[6])(C[6]C[6]HH){2|C<3>,3|C<4>,3|H<1>}	O[6](B[6,6]N[6,6]C[6a]O[6])(C[6]C[6]HH){2|C<3>,3|C<4>,3|H<1>}	110.5000	0.419	2	110.5000	0.175	2	110.5000	0.175	2	110.5000	0.175	2	109.3622	1.588	5	109.3622	1.588	5
874	622	622	6:SP3_SP2_SP2	B[6,6]	O[6]	O[6]	2:2:2:2:	3:4:	3:4:	O[6]-2:O[6]-2:O[6]-2:O[6]-2:	C[6,6a]-3:B[6,6]-4:	C[6,6a]-3:B[6,6]-4:	B[6,6](O[6]C[6,6a])4	O[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]O[6]3)	O[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]O[6]3)	B[6,6](O[6]C[6,6a])4{6|C<3>}	O[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]O[6]3){1|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]O[6]3){1|H<1>,5|C<3>}	110.0494	2.909	66	110.0494	8.463	66	110.0494	8.463	66	110.0494	8.463	66	109.7845	8.927	73	110.6334	4.955	213
874	622	622	6:SP3_SP2_SP2	B[6,6]	O[6]	O[6]	2:2:2:2:	4:3:	4:3:	O[6,6]-2:O[6]-2:O[6]-2:O-2:	B[6,6]-4:B[6]-3:	B[6,6]-4:B[6]-3:	B[6,6](O[6,6]B[6,6])(O[6]B[6])2(OH)	O[6](B[6,6]O[6,6]O[6]O)(B[6]O[6]O)	O[6](B[6,6]O[6,6]O[6]O)(B[6]O[6]O)	B[6,6](O[6,6]B[6,6])(O[6]B[6])2(OH){5|O<2>}	O[6](B[6,6]O[6,6]O[6]O)(B[6]O[6]O){1|B<3>,1|B<4>}	O[6](B[6,6]O[6,6]O[6]O)(B[6]O[6]O){1|B<3>,1|B<4>}	108.4300	0.000	1	108.4300	0.000	1	108.4300	0.000	1	108.4300	0.000	1	109.7845	8.927	73	110.6334	4.955	213
874	622	622	6:SP3_SP2_SP2	B[6,6]	O[6]	O[6]	3:2:2:3:	4:3:	4:3:	O[3x6]-3:O[6]-2:O[6]-2:O-3:	B[6,6]-4:B[6]-3:	B[6,6]-4:B[6]-3:	B[6,6](O[3x6]B[6,6]2)(O[6]B[6])2(OCoC)	O[6](B[6,6]O[3x6]O[6]O)(B[6]O[6]O)	O[6](B[6,6]O[3x6]O[6]O)(B[6]O[6]O)	B[6,6](O[3x6]B[6,6]2)(O[6]B[6])2(OCoC){2|O<3>,6|O<2>}	O[6](B[6,6]O[3x6]O[6]O)(B[6]O[6]O){1|B<3>,2|B<4>}	O[6](B[6,6]O[3x6]O[6]O)(B[6]O[6]O){1|B<3>,2|B<4>}	110.6540	0.000	1	110.6540	0.000	1	110.6585	0.000	2	110.6585	0.000	2	109.7845	8.927	73	110.6334	4.955	213
874	622	622	6:SP3_SP2_SP2	B[6,6]	O[6]	O[6]	3:2:2:3:	4:3:	4:3:	O[3x6]-3:O[6]-2:O[6]-2:O-3:	B[6,6]-4:B[6]-3:	B[6,6]-4:B[6]-3:	B[6,6](O[3x6]B[6,6]2)(O[6]B[6])2(ONiC)	O[6](B[6,6]O[3x6]O[6]O)(B[6]O[6]O)	O[6](B[6,6]O[3x6]O[6]O)(B[6]O[6]O)	B[6,6](O[3x6]B[6,6]2)(O[6]B[6])2(ONiC){2|O<3>,6|O<2>}	O[6](B[6,6]O[3x6]O[6]O)(B[6]O[6]O){1|B<3>,2|B<4>}	O[6](B[6,6]O[3x6]O[6]O)(B[6]O[6]O){1|B<3>,2|B<4>}	110.6630	0.000	1	110.6630	0.000	1	110.6585	0.000	2	110.6585	0.000	2	109.7845	8.927	73	110.6334	4.955	213
874	622	622	6:SP3_SP2_SP2	B[6,6]	O[6]	O[6]	3:3:2:2:	3:4:	3:4:	N[6]-3:N[6]-3:O[6]-2:O[6]-2:	C[6,6a]-3:B[6,6]-4:	C[6,6a]-3:B[6,6]-4:	B[6,6](N[6]C[6,6a]C)2(O[6]C[6,6a])2	O[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]N[6]2O[6])	O[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]N[6]2O[6])	B[6,6](N[6]C[6,6a]C)2(O[6]C[6,6a])2{6|C<3>}	O[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]N[6]2O[6]){1|H<1>,2|C<4>,5|C<3>}	O[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]N[6]2O[6]){1|H<1>,2|C<4>,5|C<3>}	106.2725	0.991	2	106.2725	0.981	2	106.2725	0.981	2	106.2725	0.981	2	109.7845	8.927	73	110.6334	4.955	213
874	622	622	6:SP3_SP2_SP2	B[6,6]	O[6]	O[6]	4:4:2:2:	4:3:	4:3:	C[6]-4:C[6]-4:O[6]-2:O[6]-2:	B[6,6]-4:C[6]-3:	B[6,6]-4:C[6]-3:	B[6,6](C[6]C[6,6]HH)2(O[6]C[6])2	O[6](B[6,6]C[6]2O[6])(C[6]C[6]C)	O[6](B[6,6]C[6]2O[6])(C[6]C[6]C)	B[6,6](C[6]C[6,6]HH)2(O[6]C[6])2{1|H<1>,2|C<3>,5|C<4>}	O[6](B[6,6]C[6]2O[6])(C[6]C[6]C){1|C<3>,2|C<4>,5|H<1>}	O[6](B[6,6]C[6]2O[6])(C[6]C[6]C){1|C<3>,2|C<4>,5|H<1>}	104.3575	0.316	2	104.3575	0.100	2	104.3575	0.100	2	104.3575	0.100	2	109.7845	8.927	73	110.6334	4.955	213
874	622	622	6:SP3_SP2_SP2	B[6]	O[6]	O[6]	2:2:1:1:	3:4:	3:4:	O[6]-2:O[6]-2:F-1:F-1:	C[6,6]-3:B[6]-4:	C[6]-3:B[6]-4:	B[6](O[6]C[6,6])(O[6]C[6])(F)2	O[6](C[6,6]C[6,6]C[6])(B[6]O[6]FF)	O[6](C[6]C[6,6]O)(B[6]O[6]FF)	B[6](O[6]C[6,6])(O[6]C[6])(F)2{1|O<2>,2|C<3>}	O[6](C[6,6]C[6,6]C[6])(B[6]O[6]FF){1|C<3>,1|O<1>,2|C<4>}	O[6](C[6]C[6,6]O)(B[6]O[6]FF){1|C<3>,1|C<4>}	110.5800	0.000	1	113.0910	12.610	2	112.1647	8.879	3	111.5486	0.856	107	111.0761	2.358	140	110.6334	4.955	213
874	622	622	6:SP3_SP2_SP2	B[6]	O[6]	O[6]	2:2:1:1:	3:4:	3:4:	O[6]-2:O[6]-2:F-1:F-1:	C[6,6]-3:B[6]-4:	C[6]-3:B[6]-4:	B[6](O[6]C[6,6])(O[6]C[6])(F)2	O[6](C[6,6]C[6,6]C[6])(B[6]O[6]FF)	O[6](C[6]C[6,6]O)(B[6]O[6]FF)	B[6](O[6]C[6,6])(O[6]C[6])(F)2{1|O<2>,2|C<3>}	O[6](C[6,6]C[6,6]C[6])(B[6]O[6]FF){1|H<1>,1|N<3>,2|C<3>}	O[6](C[6]C[6,6]O)(B[6]O[6]FF){1|C<3>,1|N<3>}	115.6020	0.000	1	113.0910	12.610	2	112.1647	8.879	3	111.5486	0.856	107	111.0761	2.358	140	110.6334	4.955	213
874	622	622	6:SP3_SP2_SP2	B[6]	O[6]	O[6]	2:2:1:1:	3:4:	3:4:	O[6]-2:O[6]-2:F-1:F-1:	C[6,6]-3:B[6]-4:	C[6]-3:B[6]-4:	B[6](O[6]C[6,6])(O[6]C[6])(F)2	O[6](C[6,6]C[6,6]N[6])(B[6]O[6]FF)	O[6](C[6]C[6,6]C)(B[6]O[6]FF)	B[6](O[6]C[6,6])(O[6]C[6])(F)2{1|C<3>,1|C<4>,1|N<3>}	O[6](C[6,6]C[6,6]N[6])(B[6]O[6]FF){1|C<4>,1|H<1>,2|C<3>}	O[6](C[6]C[6,6]C)(B[6]O[6]FF){1|C<3>,1|C<4>}	110.3120	0.000	1	110.3120	0.000	1	112.1647	8.879	3	111.5486	0.856	107	111.0761	2.358	140	110.6334	4.955	213
874	622	622	6:SP3_SP2_SP2	B[6]	O[6]	O[6]	2:2:1:1:	3:4:	3:4:	O[6]-2:O[6]-2:F-1:F-1:	C[6,6a]-3:B[6]-4:	C[6]-3:B[6]-4:	B[6](O[6]C[6,6a])(O[6]C[6])(F)2	O[6](C[6,6a]C[6,6a]C[6a])(B[6]O[6]FF)	O[6](C[6]C[6,6a]C)(B[6]O[6]FF)	B[6](O[6]C[6,6a])(O[6]C[6])(F)2{3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]O[6]FF){1|H<1>,3|C<3>}	O[6](C[6]C[6,6a]C)(B[6]O[6]FF){2|C<3>}	110.0040	0.017	2	110.0040	0.000	2	111.2566	1.003	7	111.5486	0.856	107	111.0761	2.358	140	110.6334	4.955	213
874	622	622	6:SP3_SP2_SP2	B[6]	O[6]	O[6]	2:2:1:1:	3:4:	3:4:	O[6]-2:O[6]-2:F-1:F-1:	C[6,6a]-3:B[6]-4:	C[6]-3:B[6]-4:	B[6](O[6]C[6,6a])(O[6]C[6])(F)2	O[6](C[6,6a]C[6,6a]C[6a])(B[6]O[6]FF)	O[6](C[6]C[6,6a]N)(B[6]O[6]FF)	B[6](O[6]C[6,6a])(O[6]C[6])(F)2{1|N<4>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]O[6]FF){1|H<1>,3|C<3>}	O[6](C[6]C[6,6a]N)(B[6]O[6]FF){2|C<3>}	111.4900	0.000	1	111.4900	0.000	1	111.2566	1.003	7	111.5486	0.856	107	111.0761	2.358	140	110.6334	4.955	213
874	622	622	6:SP3_SP2_SP2	B[6]	O[6]	O[6]	2:2:1:1:	3:4:	3:4:	O[6]-2:O[6]-2:F-1:F-1:	C[6,6a]-3:B[6]-4:	C[6]-3:B[6]-4:	B[6](O[6]C[6,6a])(O[6]C[6])(F)2	O[6](C[6,6a]C[6,6a]N[6a])(B[6]O[6]FF)	O[6](C[6]C[6,6a]C)(B[6]O[6]FF)	B[6](O[6]C[6,6a])(O[6]C[6])(F)2{1|N<3>,2|C<3>}	O[6](C[6,6a]C[6,6a]N[6a])(B[6]O[6]FF){1|C<4>,3|C<3>}	O[6](C[6]C[6,6a]C)(B[6]O[6]FF){2|C<3>}	112.8100	0.000	1	112.8100	0.000	1	111.2566	1.003	7	111.5486	0.856	107	111.0761	2.358	140	110.6334	4.955	213
874	622	622	6:SP3_SP2_SP2	B[6]	O[6]	O[6]	2:2:1:1:	3:4:	3:4:	O[6]-2:O[6]-2:F-1:F-1:	C[6,6a]-3:B[6]-4:	C[6]-3:B[6]-4:	B[6](O[6]C[6,6a])(O[6]C[6])(F)2	O[6](C[6,6a]C[6a,6a]C[6,6a])(B[6]O[6]FF)	O[6](C[6]C[6,6a]C)(B[6]O[6]FF)	B[6](O[6]C[6,6a])(O[6]C[6])(F)2{3|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(B[6]O[6]FF){4|C<3>}	O[6](C[6]C[6,6a]C)(B[6]O[6]FF){2|C<3>}	111.4960	0.348	3	111.4960	0.121	3	111.2566	1.003	7	111.5486	0.856	107	111.0761	2.358	140	110.6334	4.955	213
874	622	622	6:SP3_SP2_SP2	B[6]	O[6]	O[6]	2:2:1:1:	3:4:	3:4:	O[6]-2:O[6]-2:F-1:F-1:	C[6]-3:B[6]-4:	C[6]-3:B[6]-4:	B[6](O[6]C[6])2(F)2	O[6](C[6]C[5a]C[6])(B[6]O[6]FF)	O[6](C[6]C[5]C[6])(B[6]O[6]FF)	B[6](O[6]C[6])2(F)2{3|C<3>}	O[6](C[6]C[5a]C[6])(B[6]O[6]FF){1|H<1>,1|N<3>,2|C<3>}	O[6](C[6]C[5]C[6])(B[6]O[6]FF){1|H<1>,1|N<2>,2|C<3>}	111.9785	0.035	2	111.9785	0.001	2	111.5506	0.679	97	111.5486	0.856	107	111.0761	2.358	140	110.6334	4.955	213
874	622	622	6:SP3_SP2_SP2	B[6]	O[6]	O[6]	2:2:1:1:	3:4:	3:4:	O[6]-2:O[6]-2:F-1:F-1:	C[6]-3:B[6]-4:	C[6]-3:B[6]-4:	B[6](O[6]C[6])2(F)2	O[6](C[6]C[5a]C[6])(B[6]O[6]FF)	O[6](C[6]C[5a]C[6])(B[6]O[6]FF)	B[6](O[6]C[6])2(F)2{3|C<3>}	O[6](C[6]C[5a]C[6])(B[6]O[6]FF){1|H<1>,1|N<3>,2|C<3>}	O[6](C[6]C[5a]C[6])(B[6]O[6]FF){1|H<1>,1|N<3>,2|C<3>}	111.7982	0.817	53	111.6828	0.811	58	111.5506	0.679	97	111.5486	0.856	107	111.0761	2.358	140	110.6334	4.955	213
874	622	622	6:SP3_SP2_SP2	B[6]	O[6]	O[6]	2:2:1:1:	3:4:	3:4:	O[6]-2:O[6]-2:F-1:F-1:	C[6]-3:B[6]-4:	C[6]-3:B[6]-4:	B[6](O[6]C[6])2(F)2	O[6](C[6]C[5a]C[6])(B[6]O[6]FF)	O[6](C[6]C[5a]C[6])(B[6]O[6]FF)	B[6](O[6]C[6])2(F)2{3|C<3>}	O[6](C[6]C[5a]C[6])(B[6]O[6]FF){1|N<3>,1|S<2>,2|C<3>}	O[6](C[6]C[5a]C[6])(B[6]O[6]FF){1|N<3>,1|S<2>,2|C<3>}	110.4602	0.916	5	111.6828	0.811	58	111.5506	0.679	97	111.5486	0.856	107	111.0761	2.358	140	110.6334	4.955	213
874	622	622	6:SP3_SP2_SP2	B[6]	O[6]	O[6]	2:2:1:1:	3:4:	3:4:	O[6]-2:O[6]-2:F-1:F-1:	C[6]-3:B[6]-4:	C[6]-3:B[6]-4:	B[6](O[6]C[6])2(F)2	O[6](C[6]C[5a]C[6])(B[6]O[6]FF)	O[6](C[6]C[6a]C[6])(B[6]O[6]FF)	B[6](O[6]C[6])2(F)2{3|C<3>}	O[6](C[6]C[5a]C[6])(B[6]O[6]FF){1|H<1>,1|O<2>,2|C<3>}	O[6](C[6]C[6a]C[6])(B[6]O[6]FF){1|H<1>,3|C<3>}	110.3000	0.513	3	111.2897	1.551	6	111.5506	0.679	97	111.5486	0.856	107	111.0761	2.358	140	110.6334	4.955	213
874	622	622	6:SP3_SP2_SP2	B[6]	O[6]	O[6]	2:2:1:1:	3:4:	3:4:	O[6]-2:O[6]-2:F-1:F-1:	C[6]-3:B[6]-4:	C[6]-3:B[6]-4:	B[6](O[6]C[6])2(F)2	O[6](C[6]C[5a]C[6])(B[6]O[6]FF)	O[6](C[6]C[6a]C[6])(B[6]O[6]FF)	B[6](O[6]C[6])2(F)2{3|C<3>}	O[6](C[6]C[5a]C[6])(B[6]O[6]FF){1|H<1>,3|C<3>}	O[6](C[6]C[6a]C[6])(B[6]O[6]FF){1|H<1>,3|C<3>}	112.2793	0.823	3	111.2897	1.551	6	111.5506	0.679	97	111.5486	0.856	107	111.0761	2.358	140	110.6334	4.955	213
874	622	622	6:SP3_SP2_SP2	B[6]	O[6]	O[6]	2:2:1:1:	3:4:	3:4:	O[6]-2:O[6]-2:F-1:F-1:	C[6]-3:B[6]-4:	C[6]-3:B[6]-4:	B[6](O[6]C[6])2(F)2	O[6](C[6]C[6a]C[6])(B[6]O[6]FF)	O[6](C[6]C[6a]C[6])(B[6]O[6]FF)	B[6](O[6]C[6])2(F)2{3|C<3>}	O[6](C[6]C[6a]C[6])(B[6]O[6]FF){1|H<1>,3|C<3>}	O[6](C[6]C[6a]C[6])(B[6]O[6]FF){1|H<1>,3|C<3>}	111.3263	0.512	31	111.3263	0.262	31	111.5506	0.679	97	111.5486	0.856	107	111.0761	2.358	140	110.6334	4.955	213
874	622	622	6:SP3_SP2_SP2	B[6]	O[6]	O[6]	2:2:1:1:	3:4:	4:3:	O[6]-2:O[6]-2:F-1:F-1:	C[6]-3:B[6]-4:	B[6]-4:C[6]-3:	B[6](O[6]C[6])2(F)2	O[6](C[6]C[5]C[6])(B[6]O[6]FF)	O[6](B[6]O[6]FF)(C[6]C[6]C)	B[6](O[6]C[6])2(F)2{1|C<3>,2|C<4>}	O[6](C[6]C[5]C[6])(B[6]O[6]FF){1|Fe<10>,1|C<3>,1|C<4>,1|H<1>,1|P<3>}	O[6](B[6]O[6]FF)(C[6]C[6]C){1|C<3>,1|H<1>}	110.4060	0.000	1	111.5735	2.726	2	111.5687	0.519	9	111.5687	0.519	9	111.0761	2.358	140	110.6334	4.955	213
874	622	622	6:SP3_SP2_SP2	B[6]	O[6]	O[6]	2:2:1:1:	3:4:	4:3:	O[6]-2:O[6]-2:F-1:F-1:	C[6]-3:B[6]-4:	B[6]-4:C[6]-3:	B[6](O[6]C[6])2(F)2	O[6](C[6]C[5]C[6])(B[6]O[6]FF)	O[6](B[6]O[6]FF)(C[6]C[6]C)	B[6](O[6]C[6])2(F)2{1|C<3>,2|C<4>}	O[6](C[6]C[5]C[6])(B[6]O[6]FF){1|Fe<10>,1|C<3>,1|H<1>,2|C<4>}	O[6](B[6]O[6]FF)(C[6]C[6]C){1|C<3>,1|H<1>}	112.7410	0.000	1	111.5735	2.726	2	111.5687	0.519	9	111.5687	0.519	9	111.0761	2.358	140	110.6334	4.955	213
874	622	622	6:SP3_SP2_SP2	B[6]	O[6]	O[6]	2:2:1:1:	3:4:	4:3:	O[6]-2:O[6]-2:F-1:F-1:	C[6]-3:B[6]-4:	B[6]-4:C[6]-3:	B[6](O[6]C[6])2(F)2	O[6](C[6]C[5a]C[6])(B[6]O[6]FF)	O[6](B[6]O[6]FF)(C[6]C[6]C)	B[6](O[6]C[6])2(F)2{1|C<4>,2|C<3>}	O[6](C[6]C[5a]C[6])(B[6]O[6]FF){1|H<1>,1|N<3>,2|C<3>}	O[6](B[6]O[6]FF)(C[6]C[6]C){1|C<3>,1|H<1>}	112.3130	0.000	1	112.3130	0.000	1	111.5687	0.519	9	111.5687	0.519	9	111.0761	2.358	140	110.6334	4.955	213
874	622	622	6:SP3_SP2_SP2	B[6]	O[6]	O[6]	2:2:1:1:	3:4:	4:3:	O[6]-2:O[6]-2:F-1:F-1:	C[6]-3:B[6]-4:	B[6]-4:C[6]-3:	B[6](O[6]C[6])2(F)2	O[6](C[6]C[6a]C[6])(B[6]O[6]FF)	O[6](B[6]O[6]FF)(C[6]C[6]C)	B[6](O[6]C[6])2(F)2{1|C<4>,2|C<3>}	O[6](C[6]C[6a]C[6])(B[6]O[6]FF){1|H<1>,3|C<3>}	O[6](B[6]O[6]FF)(C[6]C[6]C){1|C<3>,1|H<1>}	111.5020	0.558	3	111.5033	0.208	4	111.5687	0.519	9	111.5687	0.519	9	111.0761	2.358	140	110.6334	4.955	213
874	622	622	6:SP3_SP2_SP2	B[6]	O[6]	O[6]	2:2:1:1:	3:4:	4:3:	O[6]-2:O[6]-2:F-1:F-1:	C[6]-3:B[6]-4:	B[6]-4:C[6]-3:	B[6](O[6]C[6])2(F)2	O[6](C[6]C[6a]C[6])(B[6]O[6]FF)	O[6](B[6]O[6]FF)(C[6]C[6]C)	B[6](O[6]C[6])2(F)2{3|C<3>}	O[6](C[6]C[6a]C[6])(B[6]O[6]FF){1|H<1>,3|C<3>}	O[6](B[6]O[6]FF)(C[6]C[6]C){1|C<3>,1|H<1>}	111.5070	0.000	1	111.5033	0.208	4	111.5687	0.519	9	111.5687	0.519	9	111.0761	2.358	140	110.6334	4.955	213
874	622	622	6:SP3_SP2_SP2	B[6]	O[6]	O[6]	2:2:1:1:	3:4:	4:3:	O[6]-2:O[6]-2:F-1:F-1:	C[6]-3:B[6]-4:	B[6]-4:C[6]-3:	B[6](O[6]C[6])2(F)2	O[6](C[6]C[6a]C[6])(B[6]O[6]FF)	O[6](B[6]O[6]FF)(C[6]C[6]O)	B[6](O[6]C[6])2(F)2{1|O<2>,2|C<3>}	O[6](C[6]C[6a]C[6])(B[6]O[6]FF){1|H<1>,3|C<3>}	O[6](B[6]O[6]FF)(C[6]C[6]O){1|C<3>,1|H<1>}	111.5530	0.000	1	111.5530	0.000	1	111.5687	0.519	9	111.5687	0.519	9	111.0761	2.358	140	110.6334	4.955	213
874	622	622	6:SP3_SP2_SP2	B[6]	O[6]	O[6]	2:2:1:1:	3:4:	4:3:	O[6]-2:O[6]-2:F-1:F-1:	C[6]-3:B[6]-4:	B[6]-4:C[6]-3:	B[6](O[6]C[6])2(F)2	O[6](C[6]C[6a]C[6])(B[6]O[6]FF)	O[6](B[6]O[6]FF)(C[6]C[6]S)	B[6](O[6]C[6])2(F)2{1|S<2>,2|C<3>}	O[6](C[6]C[6a]C[6])(B[6]O[6]FF){1|H<1>,3|C<3>}	O[6](B[6]O[6]FF)(C[6]C[6]S){1|C<3>,1|H<1>}	111.0920	0.000	1	111.0920	0.000	1	111.5687	0.519	9	111.5687	0.519	9	111.0761	2.358	140	110.6334	4.955	213
874	622	622	6:SP3_SP2_SP2	B[6]	O[6]	O[6]	2:2:1:1:	4:3:	4:2:	O[6]-2:O[6]-2:F-1:F-1:	B[6]-4:C[6]-3:	B[6]-4:N[6]-2:	B[6](O[6]C[6])(O[6]N[6])(F)2	O[6](B[6]O[6]FF)(C[6]C[6]N)	O[6](B[6]O[6]FF)(N[6]C[6])	B[6](O[6]C[6])(O[6]N[6])(F)2{1|C<3>,1|N<3>}	O[6](B[6]O[6]FF)(C[6]C[6]N){1|H<1>,1|N<2>}	O[6](B[6]O[6]FF)(N[6]C[6]){1|C<3>,1|H<1>}	110.0380	0.000	1	110.0380	0.000	1	110.0380	0.000	1	110.0380	0.000	1	111.0761	2.358	140	110.6334	4.955	213
874	622	622	6:SP3_SP2_SP2	B[6]	O[6]	O[6]	2:2:1:1:	4:3:	4:3:	O[6]-2:O[6]-2:F-1:F-1:	B[6]-4:C[6]-3:	B[6]-4:C[6]-3:	B[6](O[6]C[6])2(F)2	O[6](B[6]O[6]FF)(C[6]C[6]2)	O[6](B[6]O[6]FF)(C[6]C[6]O)	B[6](O[6]C[6])2(F)2{1|C<3>,1|C<4>,1|O<2>}	O[6](B[6]O[6]FF)(C[6]C[6]2){1|C<3>,1|H<1>,3|C<4>}	O[6](B[6]O[6]FF)(C[6]C[6]O){1|C<3>,1|C<4>}	108.9260	0.000	1	108.9260	0.000	1	110.5282	5.380	5	110.5282	5.380	5	111.0761	2.358	140	110.6334	4.955	213
874	622	622	6:SP3_SP2_SP2	B[6]	O[6]	O[6]	2:2:1:1:	4:3:	4:3:	O[6]-2:O[6]-2:F-1:F-1:	B[6]-4:C[6]-3:	B[6]-4:C[6]-3:	B[6](O[6]C[6])2(F)2	O[6](B[6]O[6]FF)(C[6]C[6]C)	O[6](B[6]O[6]FF)(C[6]C[6]C)	B[6](O[6]C[6])2(F)2{1|C<3>,2|C<4>}	O[6](B[6]O[6]FF)(C[6]C[6]C){2|C<3>}	O[6](B[6]O[6]FF)(C[6]C[6]C){2|C<3>}	108.8750	0.450	2	110.9288	6.104	4	110.5282	5.380	5	110.5282	5.380	5	111.0761	2.358	140	110.6334	4.955	213
874	622	622	6:SP3_SP2_SP2	B[6]	O[6]	O[6]	2:2:1:1:	4:3:	4:3:	O[6]-2:O[6]-2:F-1:F-1:	B[6]-4:C[6]-3:	B[6]-4:C[6]-3:	B[6](O[6]C[6])2(F)2	O[6](B[6]O[6]FF)(C[6]C[6]C)	O[6](B[6]O[6]FF)(C[6]C[6]C)	B[6](O[6]C[6])2(F)2{3|C<3>}	O[6](B[6]O[6]FF)(C[6]C[6]C){1|C<3>,1|H<1>}	O[6](B[6]O[6]FF)(C[6]C[6]C){1|C<3>,1|H<1>}	112.9825	1.112	2	110.9288	6.104	4	110.5282	5.380	5	110.5282	5.380	5	111.0761	2.358	140	110.6334	4.955	213
874	622	622	6:SP3_SP2_SP2	B[6]	O[6]	O[6]	2:2:2:2:	3:4:	3:4:	O[6]-2:O[6]-2:O-2:O-2:	C[6,6a]-3:B[6]-4:	C[6]-3:B[6]-4:	B[6](O[6]C[6,6a])(O[6]C[6])(OC[6a])2	O[6](C[6,6a]C[6,6a]C[6a])(B[6]O[6]OO)	O[6](C[6]C[6,6a]C)(B[6]O[6]OO)	B[6](O[6]C[6,6a])(O[6]C[6])(OC[6a])2{3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6]O[6]OO){1|H<1>,3|C<3>}	O[6](C[6]C[6,6a]C)(B[6]O[6]OO){2|C<3>}	110.1700	0.000	1	110.1700	0.000	1	110.1700	0.000	1	109.9275	0.118	2	111.0761	2.358	140	110.6334	4.955	213
874	622	622	6:SP3_SP2_SP2	B[6]	O[6]	O[6]	2:2:2:2:	3:4:	3:4:	O[6]-2:O[6]-2:O-2:O-2:	C[6]-3:B[6]-4:	C[6]-3:B[6]-4:	B[6](O[6]C[6])2(OC[6a])2	O[6](C[6]C[5a]C[6])(B[6]O[6]OO)	O[6](C[6]C[5a]C[6])(B[6]O[6]OO)	B[6](O[6]C[6])2(OC[6a])2{3|C<3>}	O[6](C[6]C[5a]C[6])(B[6]O[6]OO){1|H<1>,1|N<3>,2|C<3>}	O[6](C[6]C[5a]C[6])(B[6]O[6]OO){1|H<1>,1|N<3>,2|C<3>}	109.6850	0.000	1	109.6850	0.000	1	109.6850	0.000	1	109.9275	0.118	2	111.0761	2.358	140	110.6334	4.955	213
874	622	622	6:SP3_SP2_SP2	B[6]	O[6]	O[6]	2:2:4:4:	3:4:	3:4:	O[6]-2:O[6]-2:B[6]-4:N-4:	C[6,6a]-3:B[6]-4:	C[6,6a]-3:B[6]-4:	B[6](O[6]C[6,6a])2(B[6]O[6]2N)(NCCH)	O[6](C[6,6a]C[6,6a,6a]C[6a])(B[6]B[6]O[6]N)	O[6](C[6,6a]C[6,6a,6a]C[6a])(B[6]B[6]O[6]N)	B[6](O[6]C[6,6a])2(B[6]O[6]2N)(NCCH){5|C<3>}	O[6](C[6,6a]C[6,6a,6a]C[6a])(B[6]B[6]O[6]N){1|H<1>,1|N<4>,2|O<2>,3|C<3>}	O[6](C[6,6a]C[6,6a,6a]C[6a])(B[6]B[6]O[6]N){1|H<1>,1|N<4>,2|O<2>,3|C<3>}	112.7520	0.000	1	112.7520	0.000	1	112.7520	0.000	1	112.7520	0.000	1	111.0761	2.358	140	110.6334	4.955	213
874	622	622	6:SP3_SP2_SP2	B[6]	O[6]	O[6]	3:3:2:2:	4:3:	4:3:	C[6a]-3:C[6a]-3:O[6]-2:O[6]-2:	B[6]-4:C[6]-3:	B[6]-4:C[6]-3:	B[6](C[6a]C[6a]2)2(O[6]C[6])2	O[6](B[6]C[6a]2O[6])(C[6]C[5a]C[6])	O[6](B[6]C[6a]2O[6])(C[6]C[5a]C[6])	B[6](C[6a]C[6a]2)2(O[6]C[6])2{4|H<1>,7|C<3>}	O[6](B[6]C[6a]2O[6])(C[6]C[5a]C[6]){1|H<1>,1|N<3>,6|C<3>}	O[6](B[6]C[6a]2O[6])(C[6]C[5a]C[6]){1|H<1>,1|N<3>,6|C<3>}	107.2770	0.752	5	107.2770	0.566	5	107.7031	0.463	15	107.7031	0.463	15	111.0761	2.358	140	110.6334	4.955	213
874	622	622	6:SP3_SP2_SP2	B[6]	O[6]	O[6]	3:3:2:2:	4:3:	4:3:	C[6a]-3:C[6a]-3:O[6]-2:O[6]-2:	B[6]-4:C[6]-3:	B[6]-4:C[6]-3:	B[6](C[6a]C[6a]2)2(O[6]C[6])2	O[6](B[6]C[6a]2O[6])(C[6]C[6]C)	O[6](B[6]C[6a]2O[6])(C[6]C[6]O)	B[6](C[6a]C[6a]2)2(O[6]C[6])2{1|C<4>,1|O<2>,4|H<1>,5|C<3>}	O[6](B[6]C[6a]2O[6])(C[6]C[6]C){6|C<3>}	O[6](B[6]C[6a]2O[6])(C[6]C[6]O){6|C<3>}	108.3830	0.000	1	108.3830	0.000	1	107.7031	0.463	15	107.7031	0.463	15	111.0761	2.358	140	110.6334	4.955	213
874	622	622	6:SP3_SP2_SP2	B[6]	O[6]	O[6]	3:3:2:2:	4:3:	4:3:	C[6a]-3:C[6a]-3:O[6]-2:O[6]-2:	B[6]-4:C[6]-3:	B[6]-4:C[6]-3:	B[6](C[6a]C[6a]2)2(O[6]C[6])2	O[6](B[6]C[6a]2O[6])(C[6]C[6]O)	O[6](B[6]C[6a]2O[6])(C[6]C[6]O)	B[6](C[6a]C[6a]2)2(O[6]C[6])2{2|O<2>,4|F<1>,5|C<3>}	O[6](B[6]C[6a]2O[6])(C[6]C[6]O){6|C<3>}	O[6](B[6]C[6a]2O[6])(C[6]C[6]O){6|C<3>}	107.4230	0.000	1	107.4985	0.011	2	107.7031	0.463	15	107.7031	0.463	15	111.0761	2.358	140	110.6334	4.955	213
874	622	622	6:SP3_SP2_SP2	B[6]	O[6]	O[6]	3:3:2:2:	4:3:	4:3:	C[6a]-3:C[6a]-3:O[6]-2:O[6]-2:	B[6]-4:C[6]-3:	B[6]-4:C[6]-3:	B[6](C[6a]C[6a]2)2(O[6]C[6])2	O[6](B[6]C[6a]2O[6])(C[6]C[6]O)	O[6](B[6]C[6a]2O[6])(C[6]C[6]O)	B[6](C[6a]C[6a]2)2(O[6]C[6])2{2|O<2>,4|H<1>,5|C<3>}	O[6](B[6]C[6a]2O[6])(C[6]C[6]O){6|C<3>}	O[6](B[6]C[6a]2O[6])(C[6]C[6]O){6|C<3>}	107.5740	0.000	1	107.4985	0.011	2	107.7031	0.463	15	107.7031	0.463	15	111.0761	2.358	140	110.6334	4.955	213
874	622	622	6:SP3_SP2_SP2	B[6]	O[6]	O[6]	3:3:2:2:	4:3:	4:3:	C[6a]-3:C[6a]-3:O[6]-2:O[6]-2:	B[6]-4:C[6]-3:	B[6]-4:C[6]-3:	B[6](C[6a]C[6a]2)2(O[6]C[6])2	O[6](B[6]C[6a]2O[6])(C[6]C[6a]C[6])	O[6](B[6]C[6a]2O[6])(C[6]C[6a]C[6])	B[6](C[6a]C[6a]2)2(O[6]C[6])2{4|F<1>,7|C<3>}	O[6](B[6]C[6a]2O[6])(C[6]C[6a]C[6]){1|H<1>,7|C<3>}	O[6](B[6]C[6a]2O[6])(C[6]C[6a]C[6]){1|H<1>,7|C<3>}	108.2346	0.506	5	107.9687	0.377	7	107.7031	0.463	15	107.7031	0.463	15	111.0761	2.358	140	110.6334	4.955	213
874	622	622	6:SP3_SP2_SP2	B[6]	O[6]	O[6]	3:3:2:2:	4:3:	4:3:	C[6a]-3:C[6a]-3:O[6]-2:O[6]-2:	B[6]-4:C[6]-3:	B[6]-4:C[6]-3:	B[6](C[6a]C[6a]2)2(O[6]C[6])2	O[6](B[6]C[6a]2O[6])(C[6]C[6a]C[6])	O[6](B[6]C[6a]2O[6])(C[6]C[6a]C[6])	B[6](C[6a]C[6a]2)2(O[6]C[6])2{4|H<1>,7|C<3>}	O[6](B[6]C[6a]2O[6])(C[6]C[6a]C[6]){1|H<1>,7|C<3>}	O[6](B[6]C[6a]2O[6])(C[6]C[6a]C[6]){1|H<1>,7|C<3>}	107.2660	0.000	1	107.9687	0.377	7	107.7031	0.463	15	107.7031	0.463	15	111.0761	2.358	140	110.6334	4.955	213
874	622	622	6:SP3_SP2_SP2	B[6]	O[6]	O[6]	3:3:2:2:	4:3:	4:3:	C[6a]-3:C[6a]-3:O[6]-2:O[6]-2:	B[6]-4:C[6]-3:	B[6]-4:C[6]-3:	B[6](C[6a]C[6a]2)2(O[6]C[6])2	O[6](B[6]C[6a]2O[6])(C[6]C[6a]C[6])	O[6](B[6]C[6a]2O[6])(C[6]C[6a]C[6])	B[6](C[6a]C[6a]2)2(O[6]C[6])2{4|H<1>,7|C<3>}	O[6](B[6]C[6a]2O[6])(C[6]C[6a]C[6]){8|C<3>}	O[6](B[6]C[6a]2O[6])(C[6]C[6a]C[6]){8|C<3>}	107.3420	0.000	1	107.9687	0.377	7	107.7031	0.463	15	107.7031	0.463	15	111.0761	2.358	140	110.6334	4.955	213
874	622	622	6:SP3_SP2_SP3	B[6,6]	O[6]	O[6,6]	2:2:2:2:	4:3:	4:4:	O[6,6]-2:O[6]-2:O[6]-2:O-2:	B[6,6]-4:B[6]-3:	B[6,6]-4:B[6,6]-4:	B[6,6](O[6,6]B[6,6])(O[6]B[6])2(OH)	O[6](B[6,6]O[6,6]O[6]O)(B[6]O[6]O)	O[6,6](B[6,6]O[6]2O)2	B[6,6](O[6,6]B[6,6])(O[6]B[6])2(OH){5|O<2>}	O[6](B[6,6]O[6,6]O[6]O)(B[6]O[6]O){1|B<3>,1|B<4>}	O[6,6](B[6,6]O[6]2O)2{2|B<3>}	109.2239	0.474	10	109.2239	0.224	10	109.2239	0.224	10	109.2239	0.224	10	109.3138	0.217	30	109.7778	2.644	42
874	622	622	6:SP3_SP2_SP3	B[6,6]	O[6]	O[6,6]	2:3:2:2:	4:3:	4:4:	O[6,6]-2:C[6a]-3:O[6]-2:O[6]-2:	B[6,6]-4:C[6]-3:	B[6,6]-4:B[6,6]-4:	B[6,6](O[6,6]B[6,6])(C[6a]C[6a]2)(O[6]C[6])2	O[6](B[6,6]O[6,6]C[6a]O[6])(C[6]C[6a]O[6])	O[6,6](B[6,6]C[6a]O[6]2)2	B[6,6](O[6,6]B[6,6])(C[6a]C[6a]2)(O[6]C[6])2{2|F<1>,2|O<2>,5|C<3>}	O[6](B[6,6]O[6,6]C[6a]O[6])(C[6]C[6a]O[6]){1|B<4>,5|C<3>}	O[6,6](B[6,6]C[6a]O[6]2)2{6|C<3>}	109.4562	0.526	12	109.4562	0.276	12	109.3588	0.218	20	109.3588	0.218	20	109.3138	0.217	30	109.7778	2.644	42
874	622	622	6:SP3_SP2_SP3	B[6,6]	O[6]	O[6,6]	2:3:2:2:	4:3:	4:4:	O[6,6]-2:C[6a]-3:O[6]-2:O[6]-2:	B[6,6]-4:C[6]-3:	B[6,6]-4:B[6,6]-4:	B[6,6](O[6,6]B[6,6])(C[6a]C[6a]2)(O[6]C[6])2	O[6](B[6,6]O[6,6]C[6a]O[6])(C[6]O[6]C)	O[6,6](B[6,6]C[6a]O[6]2)2	B[6,6](O[6,6]B[6,6])(C[6a]C[6a]2)(O[6]C[6])2{1|Cl<1>,1|H<1>,2|C<4>,2|O<2>,3|C<3>}	O[6](B[6,6]O[6,6]C[6a]O[6])(C[6]O[6]C){1|B<4>,3|C<3>}	O[6,6](B[6,6]C[6a]O[6]2)2{6|C<3>}	109.3628	0.339	4	109.2125	0.117	8	109.3588	0.218	20	109.3588	0.218	20	109.3138	0.217	30	109.7778	2.644	42
874	622	622	6:SP3_SP2_SP3	B[6,6]	O[6]	O[6,6]	2:3:2:2:	4:3:	4:4:	O[6,6]-2:C[6a]-3:O[6]-2:O[6]-2:	B[6,6]-4:C[6]-3:	B[6,6]-4:B[6,6]-4:	B[6,6](O[6,6]B[6,6])(C[6a]C[6a]2)(O[6]C[6])2	O[6](B[6,6]O[6,6]C[6a]O[6])(C[6]O[6]C)	O[6,6](B[6,6]C[6a]O[6]2)2	B[6,6](O[6,6]B[6,6])(C[6a]C[6a]2)(O[6]C[6])2{1|H<1>,1|I<1>,2|C<4>,2|O<2>,3|C<3>}	O[6](B[6,6]O[6,6]C[6a]O[6])(C[6]O[6]C){1|B<4>,3|C<3>}	O[6,6](B[6,6]C[6a]O[6]2)2{6|C<3>}	109.0623	0.314	4	109.2125	0.117	8	109.3588	0.218	20	109.3588	0.218	20	109.3138	0.217	30	109.7778	2.644	42
874	622	622	6:SP3_SP2_SP3	B[6,6]	O[6]	O[6]	2:2:2:2:	3:4:	4:4:	O[6]-2:O[6]-2:O[6]-2:O[6]-2:	C[6,6a]-3:B[6,6]-4:	C[6]-4:B[6,6]-4:	B[6,6](O[6]C[6,6a])2(O[6]C[6])2	O[6](C[6,6a]C[6,6a]C[6a])(B[6,6]O[6]3)	O[6](C[6]C[6,6a]HH)(B[6,6]O[6]3)	B[6,6](O[6]C[6,6a])2(O[6]C[6])2{4|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(B[6,6]O[6]3){2|C<4>,4|C<3>}	O[6](C[6]C[6,6a]HH)(B[6,6]O[6]3){1|C<4>,3|C<3>}	111.7375	0.744	4	111.7375	0.553	4	111.7375	0.553	4	111.7375	0.553	4	112.4296	3.605	8	109.7778	2.644	42
874	622	622	6:SP3_SP2_SP3	B[6,6]	O[6]	O[6]	2:2:2:2:	4:4:	4:3:	O[6]-2:O[6]-2:O[6]-2:O[6]-2:	B[6,6a]-4:B[6,6]-4:	B[6,6]-4:B[6]-3:	B[6,6](O[6]B[6,6a])2(O[6]B[6])2	O[6](B[6,6a]O[6a]2O[6])(B[6,6]O[6]3)	O[6](B[6,6]O[6]3)(B[6]O[6]O)	B[6,6](O[6]B[6,6a])2(O[6]B[6])2{8|O<2>}	O[6](B[6,6a]O[6a]2O[6])(B[6,6]O[6]3){1|B<4>,4|B<3>}	O[6](B[6,6]O[6]3)(B[6]O[6]O){1|B<3>,2|B<4>}	110.9615	0.725	2	110.9615	0.525	2	110.9615	0.525	2	110.9615	0.525	2	112.4296	3.605	8	109.7778	2.644	42
874	622	622	6:SP3_SP2_SP3	B[6,6]	O[6]	O[6]	2:2:3:2:	4:3:	4:4:	O[6]-2:O[6]-2:N[6]-3:O[6]-2:	B[6,6]-4:B[6]-3:	B[6,6]-4:B[6,6]-4:	B[6,6](O[6]C[6,6a])(O[6]B[6,6])(N[6]C[6]C)(O[6]B[6])	O[6](B[6,6]N[6]O[6]2)(B[6]C[6a]O[6])	O[6](B[6,6]N[6]O[6]2)2	B[6,6](O[6]C[6,6a])(O[6]B[6,6])(N[6]C[6]C)(O[6]B[6]){1|H<1>,1|N<3>,2|O<2>,3|C<3>}	O[6](B[6,6]N[6]O[6]2)(B[6]C[6a]O[6]){1|B<4>,1|C<4>,4|C<3>}	O[6](B[6,6]N[6]O[6]2)2{1|B<3>,2|C<4>,4|C<3>}	115.2820	0.741	2	115.2820	0.549	2	115.2820	0.549	2	115.2820	0.549	2	112.4296	3.605	8	109.7778	2.644	42
874	622	622	6:SP3_SP2_SP3	B[6]	O[6]	O[6]	2:2:3:1:	3:4:	3:4:	O[6]-2:O[6]-2:C-3:F-1:	C[6,6a]-3:B[6]-4:	N[6,6]-3:B[6]-4:	B[6](O[6]C[6,6a])(O[6]N[6,6])(CC[6a]O)(F)	O[6](C[6,6a]C[6,6,6a]C[6a])(B[6]O[6]CF)	O[6](N[6,6]C[6,6,6a]C[6])(B[6]O[6]CF)	B[6](O[6]C[6,6a])(O[6]N[6,6])(CC[6a]O)(F){3|C<3>}	O[6](C[6,6a]C[6,6,6a]C[6a])(B[6]O[6]CF){1|H<1>,1|N<3>,2|C<3>}	O[6](N[6,6]C[6,6,6a]C[6])(B[6]O[6]CF){1|H<1>,3|C<3>}	108.6860	0.000	1	108.6860	0.000	1	108.6860	0.000	1	108.6860	0.000	1	107.9543	0.283	4	109.7778	2.644	42
874	622	622	6:SP3_SP2_SP3	B[6]	O[6]	O[6]	3:3:2:2:	3:4:	4:4:	C[6a]-3:C[6a]-3:O[6]-2:O[6]-2:	C[6,6]-3:B[6]-4:	B[6]-4:C[6]-4:	B[6](C[6a]C[6a]2)2(O[6]C[6,6])(O[6]C[6])	O[6](C[6,6]C[6,6]C[6])(B[6]C[6a]2O[6])	O[6](B[6]C[6a]2O[6])(C[6]C[6,6]HO)	B[6](C[6a]C[6a]2)2(O[6]C[6,6])(O[6]C[6]){1|O<2>,5|H<1>,6|C<3>}	O[6](C[6,6]C[6,6]C[6])(B[6]C[6a]2O[6]){1|N<3>,2|C<4>,5|C<3>}	O[6](B[6]C[6a]2O[6])(C[6]C[6,6]HO){6|C<3>}	107.4870	0.000	1	107.4870	0.000	1	107.4870	0.000	1	107.4870	0.000	1	107.9543	0.283	4	109.7778	2.644	42
874	622	622	6:SP3_SP2_SP3	B[6]	O[6]	O[6]	3:3:2:2:	4:3:	4:4:	C[6a]-3:C[6a]-3:O[6]-2:O[6]-2:	B[6]-4:B[6]-3:	B[6]-4:B[6]-4:	B[6](C[6a]C[6a]2)2(O[6]B[6])2	O[6](B[6]C[6a]2O[6])(B[6]C[6a]O[6])	O[6](B[6]C[6a]2O[6])2	B[6](C[6a]C[6a]2)2(O[6]B[6])2{1|O<2>,4|F<1>,7|C<3>}	O[6](B[6]C[6a]2O[6])(B[6]C[6a]O[6]){1|B<4>,6|C<3>}	O[6](B[6]C[6a]2O[6])2{1|B<3>,8|C<3>}	107.8220	0.246	2	107.8220	0.061	2	107.8220	0.061	2	107.8220	0.061	2	107.9543	0.283	4	109.7778	2.644	42
874	622	622	6:SP3_SP3_SP3	B[3x6]	O[6,6]	O[6,6]	2:2:2:2:	4:3:	4:3:	O[6,6]-2:O[6,6]-2:O[6,6]-2:O-2:	B[3x6]-4:N[4x6]-3:	B[3x6]-4:N[4x6]-3:	B[3x6](O[6,6]N[4x6])3(OH)	O[6,6](B[3x6]O[6,6]2O)(N[4x6]C[4x6]2)	O[6,6](B[3x6]O[6,6]2O)(N[4x6]C[4x6]2)	B[3x6](O[6,6]N[4x6])3(OH){3|C<4>}	O[6,6](B[3x6]O[6,6]2O)(N[4x6]C[4x6]2){2|N<3>,4|C<4>}	O[6,6](B[3x6]O[6,6]2O)(N[4x6]C[4x6]2){2|N<3>,4|C<4>}	109.4720	0.393	3	109.4720	0.155	3	109.4720	0.155	3	109.4720	0.155	3	109.1902	0.519	12	109.3851	2.675	18
874	622	622	6:SP3_SP3_SP3	B[3x6]	O[6,6]	O[6,6]	2:2:2:3:	4:3:	4:3:	O[6,6]-2:O[6,6]-2:O[6,6]-2:C[6a]-3:	B[3x6]-4:N[4x6]-3:	B[3x6]-4:N[4x6]-3:	B[3x6](O[6,6]N[4x6])3(C[6a]C[6a]2)	O[6,6](B[3x6]O[6,6]2C[6a])(N[4x6]C[4x6]2)	O[6,6](B[3x6]O[6,6]2C[6a])(N[4x6]C[4x6]2)	B[3x6](O[6,6]N[4x6])3(C[6a]C[6a]2){2|C<3>,2|H<1>,3|C<4>}	O[6,6](B[3x6]O[6,6]2C[6a])(N[4x6]C[4x6]2){2|C<3>,2|N<3>,4|C<4>}	O[6,6](B[3x6]O[6,6]2C[6a])(N[4x6]C[4x6]2){2|C<3>,2|N<3>,4|C<4>}	109.2618	0.610	6	109.3790	0.406	7	109.3790	0.406	7	109.3790	0.406	7	109.1902	0.519	12	109.3851	2.675	18
874	622	622	6:SP3_SP3_SP3	B[3x6]	O[6,6]	O[6,6]	2:2:2:3:	4:3:	4:3:	O[6,6]-2:O[6,6]-2:O[6,6]-2:C[6a]-3:	B[3x6]-4:N[4x6]-3:	B[3x6]-4:N[4x6]-3:	B[3x6](O[6,6]N[4x6])3(C[6a]C[6a]2)	O[6,6](B[3x6]O[6,6]2C[6a])(N[4x6]C[4x6]2)	O[6,6](B[3x6]O[6,6]2C[6a])(N[4x6]C[4x6]2)	B[3x6](O[6,6]N[4x6])3(C[6a]C[6a]2){2|C<3>,3|C<4>,3|H<1>}	O[6,6](B[3x6]O[6,6]2C[6a])(N[4x6]C[4x6]2){1|N<3>,1|N<4>,2|C<3>,4|C<4>}	O[6,6](B[3x6]O[6,6]2C[6a])(N[4x6]C[4x6]2){1|N<3>,1|N<4>,2|C<3>,4|C<4>}	110.0820	0.000	1	109.3790	0.406	7	109.3790	0.406	7	109.3790	0.406	7	109.1902	0.519	12	109.3851	2.675	18
874	622	622	6:SP3_SP3_SP3	B[3x6]	O[6,6]	O[6,6]	2:2:2:3:	4:3:	4:4:	O[6,6]-2:O[6,6]-2:O[6,6]-2:C[6a]-3:	B[3x6]-4:N[4x6]-3:	B[3x6]-4:N[4x6]-4:	B[3x6](O[6,6]N[4x6])3(C[6a]C[6a]2)	O[6,6](B[3x6]O[6,6]2C[6a])(N[4x6]C[4x6]2)	O[6,6](B[3x6]O[6,6]2C[6a])(N[4x6]C[4x6]2H)	B[3x6](O[6,6]N[4x6])3(C[6a]C[6a]2){2|C<3>,3|C<4>,3|H<1>}	O[6,6](B[3x6]O[6,6]2C[6a])(N[4x6]C[4x6]2){1|N<3>,1|N<4>,2|C<3>,4|C<4>}	O[6,6](B[3x6]O[6,6]2C[6a])(N[4x6]C[4x6]2H){2|C<3>,2|N<3>,4|C<4>}	108.1065	0.364	2	108.1065	0.133	2	108.1065	0.133	2	108.1065	0.133	2	109.1902	0.519	12	109.3851	2.675	18
874	622	622	6:SP3_SP3_SP3	B[6,6]	O[6]	O[6]	2:2:2:2:	4:4:	4:4:	O[6]-2:O[6]-2:O[6]-2:O[6]-2:	B[6,6]-4:C[6]-4:	B[6,6]-4:C[6]-4:	B[6,6](O[6]C[6])4	O[6](B[6,6]O[6]3)(C[6]C[6]HH)	O[6](B[6,6]O[6]3)(C[6]C[6]HH)	B[6,6](O[6]C[6])4{2|C<4>,8|H<1>}	O[6](B[6,6]O[6]3)(C[6]C[6]HH){5|C<4>}	O[6](B[6,6]O[6]3)(C[6]C[6]HH){5|C<4>}	109.1953	1.977	4	109.1953	3.910	4	109.1953	3.910	4	109.1953	3.910	4	110.2158	8.140	5	109.3851	2.675	18
874	622	622	6:SP3_SP3_SP3	B[6,6]	O[6]	O[6]	4:4:2:2:	4:4:	4:4:	C[6]-4:N[6]-4:O[6]-2:O[6]-2:	B[6,6]-4:C[6]-4:	B[6,6]-4:C[6]-4:	B[6,6](C[6]C[6]HH)(N[6]C[6]CH)(O[6]C[6])2	O[6](B[6,6]C[6]N[6]O[6])(C[6]C[6]HH)	O[6](B[6,6]C[6]N[6]O[6])(C[6]C[6]HH)	B[6,6](C[6]C[6]HH)(N[6]C[6]CH)(O[6]C[6])2{2|C<4>,8|H<1>}	O[6](B[6,6]C[6]N[6]O[6])(C[6]C[6]HH){4|C<4>,5|H<1>}	O[6](B[6,6]C[6]N[6]O[6])(C[6]C[6]HH){4|C<4>,5|H<1>}	114.2980	0.000	1	114.2980	0.000	1	114.2980	0.000	1	114.2980	0.000	1	110.2158	8.140	5	109.3851	2.675	18
874	622	622	6:SP3_SP3_SP3	B[6]	O[6]	O[6]	2:2:1:1:	4:4:	4:4:	O[6]-2:O[6]-2:F-1:F-1:	P[6]-4:B[6]-4:	P[6]-4:B[6]-4:	B[6](O[6]P[6])2(F)2	O[6](P[6]C[6a]2C[6])(B[6]O[6]FF)	O[6](P[6]C[6a]2C[6])(B[6]O[6]FF)	B[6](O[6]P[6])2(F)2{1|C<4>,4|C<3>}	O[6](P[6]C[6a]2C[6])(B[6]O[6]FF){1|P<4>,2|H<1>,4|C<3>}	O[6](P[6]C[6a]2C[6])(B[6]O[6]FF){1|P<4>,2|H<1>,4|C<3>}	107.5700	0.000	1	107.5700	0.000	1	107.5700	0.000	1	107.5700	0.000	1	107.5700	0.000	1	109.3851	2.675	18